A0A077ZBS2_TRITR Loading...

DD-carboxypeptidase

AlphaFold DB , UniProt , Accession A0A077ZBS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 627 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	Very low	32.9	Very low	237 Å²	237	160.9 Å²	160.9	100%	1.167	83%	0.833	S	S	*	*				0	128.7	0	-110.7	177	-160.6	0	0	107.7
2	F	32.6	Very low	33.1	Very low	217 Å²	217	155.6 Å²	155.6	95%	0.952	82%	0.82	S	S	*	*			trans	-6.5	146.6	163.3	-62.3	-93.7	0	0	0	118.1
3	G	31.6	Very low	33	Very low	68 Å²	68	154.1 Å²	154.1	70%	0.701	82%	0.821	S	S	*	*			cis	162.8	158.6	7.8	0	0	0	0	0	110.1
4	M	29.6	Very low	32.9	Very low	185 Å²	185	152 Å²	152	91%	0.911	82%	0.82	S	S	*	*			trans	39.6	133.1	155.7	-63	-169.3	-171.4	0	0	123.4
5	T	34.1	Very low	33	Very low	157 Å²	157	148.8 Å²	148.8	96%	0.963	82%	0.823	S	S	*	*				-168.8	152.7	107.5	1.7	0	0	0	0	113.6
6	A	32.8	Very low	33.1	Very low	87 Å²	87	151.4 Å²	151.4	72%	0.719	83%	0.827	S	S	*	*			trans	-109.9	170.5	-162.1	0	0	0	0	0	114.7
7	Y	32.2	Very low	33.3	Very low	225 Å²	225	149.2 Å²	149.2	88%	0.882	83%	0.826	S	S	*	*			trans	-168.7	123.1	145.9	-109.7	-78.5	0	0	0	114.1
8	S	34.8	Very low	33.4	Very low	92 Å²	92	148.8 Å²	148.8	64%	0.643	82%	0.822	S	S	*	*			trans	50.2	150.9	139.7	62.4	0	0	0	0	123.4
9	L	32.1	Very low	33.5	Very low	136 Å²	136	146.7 Å²	146.7	71%	0.712	83%	0.826	S	S	*	*			cis	178.2	148.4	-17.3	-111.4	150.6	0	0	0	108.6
10	F	34.6	Very low	33.6	Very low	160 Å²	160	148.5 Å²	148.5	70%	0.702	82%	0.824	S	S	*	*			trans	84.5	108.4	159	-62.8	-83.6	0	0	0	124.7
11	Y	34.8	Very low	33.6	Very low	206 Å²	206	151 Å²	151	81%	0.808	83%	0.827	S	S	*	*			trans	40.6	140.8	134.3	-64.2	-102.2	0	0	0	120.9
12	S	35.4	Very low	33.6	Very low	97 Å²	97	147.1 Å²	147.1	68%	0.678	81%	0.806	S	S	*	*			cis	-164	128.7	8.3	43.9	0	0	0	0	109.9
13	T	32	Very low	33.8	Very low	136 Å²	136	142.5 Å²	142.5	83%	0.834	80%	0.795	S	S	*	*			trans	33.8	120.9	158.7	60.8	0	0	0	0	120.1
14	P	31.3	Very low	33.8	Very low	125 Å²	125	144 Å²	144	81%	0.812	80%	0.801	S	S	*	*				-143	160.5	99.5	34.9	-19	0	0	0	115.5
15	A	33.7	Very low	34.1	Very low	104 Å²	104	140.3 Å²	140.3	86%	0.86	79%	0.789	S	S	*	*			trans	65.1	97.5	158.8	0	0	0	0	0	118.2
16	E	34.8	Very low	34.2	Very low	191 Å²	191	139.5 Å²	139.5	89%	0.893	78%	0.784	S	S	*	*			trans	-103.5	117.9	163	-130.4	168.6	-165.9	0	0	109.8
17	S	36.4	Very low	34.4	Very low	114 Å²	114	142.4 Å²	142.4	80%	0.797	78%	0.777	S	S	*	*			trans	-80.7	114	170.6	53.5	0	0	0	0	109.8
18	D	35.7	Very low	34.6	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	77%	0.769	S	S	*	*			trans	-101.3	103.3	166.2	-95	-22.8	0	0	0	109.9	K20	D18-K20 PolarHBondContact O-N 3.22Å; D18-K20 VanDerWaalsContact O-N 3.15Å
19	A	34.4	Very low	34.8	Very low	109 Å²	109	136.3 Å²	136.3	90%	0.901	76%	0.757	S	S	*	*			trans	-72.5	96	166.2	0	0	0	0	0	109.3
20	K	36.3	Very low	34.9	Very low	182 Å²	182	138.7 Å²	138.7	79%	0.791	77%	0.765	S	S	*	*			trans	-92.9	123.2	166.3	-83.2	-177.1	178.2	175	0	110.1	D18 E22	D18-K20 PolarHBondContact O-N 3.22Å; D18-K20 VanDerWaalsContact O-N 3.15Å; K20-E22 PolarHBondContact O-N 3.12Å
21	K	33.8	Very low	35.2	Very low	202 Å²	202	137.5 Å²	137.5	88%	0.878	76%	0.759	S	S	*	*			trans	-45.4	117.4	168.7	-78.5	172.7	168.9	176.6	0	110.8	T23	K21-T23 PolarHBondContact O-N 2.88Å; K21-T23 VanDerWaalsContact O-N 3.16Å
22	E	33.5	Very low	35.3	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	76%	0.759	S	S	*	*			trans	-69	101.3	165.5	-74.5	-179.7	164.2	0	0	108.9	K20 K570	K20-E22 PolarHBondContact O-N 3.12Å; E22-K570 IonicContact OE2-NZ 3.68Å
23	T	35.1	Very low	35.4	Very low	119 Å²	119	137 Å²	137	73%	0.73	75%	0.749	S	S	*	*			trans	-78.6	112	161.5	40.3	0	0	0	0	108.3	K21 T25	K21-T23 PolarHBondContact O-N 2.88Å; K21-T23 VanDerWaalsContact O-N 3.16Å; T23-T25 PolarHBondContact O-N 2.84Å
24	A	32.7	Very low	35.3	Very low	100 Å²	100	135.7 Å²	135.7	83%	0.826	74%	0.741	S	S	*	*			trans	-66.8	98.9	171.1	0	0	0	0	0	109.5	T26	A24-T26 PolarHBondContact O-N 3.42Å
25	T	34.7	Very low	35.4	Very low	108 Å²	108	136.1 Å²	136.1	66%	0.663	74%	0.741	S	S	*	*			trans	-75.3	105.4	166.1	22.8	0	0	0	0	108.7	T23 Y27	T23-T25 PolarHBondContact O-N 2.84Å; T25-Y27 PolarHBondContact O-N 3.49Å
26	T	36.1	Very low	35.6	Very low	139 Å²	139	139.3 Å²	139.3	85%	0.853	74%	0.736	S	S	*	*			trans	-63.4	99.8	168.2	-2.1	0	0	0	0	108.7	A24	A24-T26 PolarHBondContact O-N 3.42Å
27	Y	38.7	Very low	35.8	Very low	148 Å²	148	139.2 Å²	139.2	58%	0.58	73%	0.732	S	S	*	*			trans	-87.2	112.8	170.4	-133.5	-90.9	0	0	0	108	T25	T25-Y27 PolarHBondContact O-N 3.49Å
28	S	36.3	Very low	35.8	Very low	101 Å²	101	142.9 Å²	142.9	71%	0.706	73%	0.734	S	S	*	*			trans	-87.4	122.5	174.1	62	0	0	0	0	110.3	E30	S28-E30 PolarHBondContact O-N 3.35Å
29	F	39.2	Very low	35.9	Very low	88 Å²	88	142.3 Å²	142.3	39%	0.386	73%	0.731	S	S	.	*			trans	-77.2	93	173.1	-106.7	-97.7	0	0	0	110.1	L546 L575	F29-L546 HydrophobicContact CZ-CD2 4.45Å; F29-L575 HydrophobicContact CE2-CD1 3.81Å; F29-L575 HydrophobicContact CZ-CD1 3.74Å
30	E	34.2	Very low	36.1	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	70%	0.7	S	S	*	*			trans	-129.1	93.2	159.5	-93.6	-167.9	155.9	0	0	108.5	S28	S28-E30 PolarHBondContact O-N 3.35Å
31	K	41	Very low	36	Very low	134 Å²	134	135.1 Å²	135.1	58%	0.583	69%	0.694	S	S	*	*			trans	-111.4	102.4	171.4	-133.7	-172.7	-176.9	-169.8	0	108.9	E524	K31-E524 IonicContact NZ-OE1 2.74Å; K31-E524 PolarHBondContact NZ-OE1 2.93Å
32	K	35.6	Very low	36.2	Very low	188 Å²	188	133 Å²	133	82%	0.817	69%	0.687	S	S	*	*			trans	-78.5	111.2	160.9	-79.6	179.8	177.1	173.2	0	107.7	T34	K32-T34 HydrophobicContact CB-CG2 4.46Å; K32-T34 PolarHBondContact O-N 3.45Å
33	K	36.8	Very low	36.5	Very low	104 Å²	104	131.9 Å²	131.9	45%	0.452	68%	0.68	S	S	.	*			trans	-65.7	96.4	168.3	-81	-172.8	169.7	-171.4	0	109.1	D528	K33-D528 VanDerWaalsContact CD-OD1 3.22Å; K33-D528 WeakPolarHBondContact CD-OD1 3.09Å; K33-D528 VanDerWaalsContact NZ-C 3.3Å; K33-D528 PolarHBondContact NZ-O 3.44Å; K33-D528 IonicContact NZ-OD1 3.76Å; K33-D528 PolarHBondContact NZ-OD1 2.87Å
34	T	31.9	Very low	36.6	Very low	110 Å²	110	129 Å²	129	68%	0.675	67%	0.668	S	S	*	*			trans	-113.5	120	174.5	44	0	0	0	0	111.9	K32	K32-T34 HydrophobicContact CB-CG2 4.46Å; K32-T34 PolarHBondContact O-N 3.45Å
35	T	33.4	Very low	37	Very low	133 Å²	133	129.2 Å²	129.2	82%	0.816	66%	0.655	S	S	*	*			trans	60.3	77.7	150.7	43.7	0	0	0	0	119.2
36	K	37.8	Very low	37.4	Very low	171 Å²	171	128.2 Å²	128.2	74%	0.743	65%	0.65	S	S	*	*			trans	-128.8	21.6	154.8	-81.4	-171.2	179.2	178.1	0	114	K38 D525	K36-K38 VanDerWaalsContact C-N 3.28Å; K36-K38 PolarHBondContact O-N 2.9Å; K36-D525 IonicContact NZ-OD1 2.93Å; K36-D525 PolarHBondContact NZ-OD1 3.03Å
37	K	37.2	Very low	37.9	Very low	189 Å²	189	130.2 Å²	130.2	82%	0.822	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	8	-167.3	-94.4	-172.9	176.2	-175.9	0	119.1
38	K	36.5	Very low	38.3	Very low	191 Å²	191	125.1 Å²	125.1	83%	0.83	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-16	-176.4	-79	-170.3	174.4	-175.6	0	116.7	K36	K36-K38 VanDerWaalsContact C-N 3.28Å; K36-K38 PolarHBondContact O-N 2.9Å
39	N	39.1	Very low	39.1	Very low	130 Å²	130	124.5 Å²	124.5	70%	0.695	63%	0.631	S	S	*	*	S	Bend	trans	-105.8	-15.7	-172.9	-72.4	-1.6	0	0	0	115.3
40	A	37.1	Very low	39.8	Very low	29 Å²	29	124.6 Å²	124.6	24%	0.24	65%	0.648	C	S	.	*	S	Bend	trans	-79.1	-35.4	-174.9	0	0	0	0	0	113.5	Q42 K43 M499	A40-Q42 PolarHBondContact O-N 2.86Å; A40-K43 PolarHBondContact O-N 3.38Å; A40-K43 VanDerWaalsContact O-N 3.14Å; A40-M499 WeakPolarHBondContact O-CE 3.33Å
41	V	35.4	Very low	41.1	Very low	110 Å²	110	122.3 Å²	122.3	67%	0.667	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-61.4	-30.8	-178.9	-178.1	0	0	0	0	112.3	K43	V41-K43 VanDerWaalsContact C-N 3.27Å; V41-K43 PolarHBondContact O-N 2.85Å
42	Q	38.3	Very low	42.7	Very low	158 Å²	158	118.5 Å²	118.5	74%	0.738	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-73.3	-13.8	-179.2	-122.2	171.9	-1.5	0	0	114.1	A40	A40-Q42 PolarHBondContact O-N 2.86Å
43	K	38.7	Very low	45.1	Very low	132 Å²	132	113.6 Å²	113.6	57%	0.574	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-103.1	-7.7	-174.9	-109.6	179.1	178	-179.6	0	114.6	A40 V41	A40-K43 PolarHBondContact O-N 3.38Å; A40-K43 VanDerWaalsContact O-N 3.14Å; V41-K43 VanDerWaalsContact C-N 3.27Å; V41-K43 PolarHBondContact O-N 2.85Å
44	A	37.6	Very low	47.4	Very low	59 Å²	59	109.3 Å²	109.3	49%	0.488	59%	0.586	S	S	.	*	S	Bend	trans	-95.4	-12	-179.9	0	0	0	0	0	114.3	M499	A44-M499 HydrophobicContact CB-CE 3.16Å; A44-M499 HydrophobicContact CB-CG 4.45Å; A44-M499 HydrophobicContact CB-SD 3.45Å; A44-M499 WeakPolarHBondContact CB-SD 3.32Å
45	L	41.1	Very low	49.9	Very low	105 Å²	105	106.9 Å²	106.9	55%	0.55	57%	0.568	S	S	.	*	S	Bend	trans	-66.5	147.5	174.9	-65	164.7	0	0	0	107.6
46	P	43.3	Very low	52.6	Low	87 Å²	87	102.9 Å²	102.9	57%	0.565	54%	0.544	S	S	*	.			trans	-48.1	161	164.7	22	-31.6	0	0	0	109.4	S48	P46-S48 WeakPolarHBondContact O-CA 3.38Å; P46-S48 WeakPolarHBondContact O-CB 3.33Å; P46-S48 PolarHBondContact O-N 3.38Å; P46-S48 PolarHBondContact O-OG 3.01Å
47	D	45.7	Very low	55	Low	180 Å²	180	99.6 Å²	99.6	96%	0.963	53%	0.534	S	S	*	.	S	Bend	trans	-57.6	88.7	168.9	-86.9	-27.4	0	0	0	107.7
48	S	48.8	Very low	57.6	Low	42 Å²	42	90.7 Å²	90.7	29%	0.294	50%	0.495	S	S	.	.			trans	-114.4	114.9	-171.8	61.1	0	0	0	0	104.8	P46 D52 L55	P46-S48 WeakPolarHBondContact O-CA 3.38Å; P46-S48 WeakPolarHBondContact O-CB 3.33Å; P46-S48 PolarHBondContact O-N 3.38Å; P46-S48 PolarHBondContact O-OG 3.01Å; S48-D52 VanDerWaalsContact CA-OD2 3.27Å; S48-D52 WeakPolarHBondContact CA-OD2 3.41Å; S48-L55 VanDerWaalsContact CB-CD1 3.47Å
49	N	51.6	Low	60.1	Low	88 Å²	88	81.9 Å²	81.9	47%	0.471	46%	0.458	S	S	.	.			trans	-73.6	136.2	170.7	-160.8	-37.2	0	0	0	107.1	N51 D52	N49-N51 PolarHBondContact O-N 2.73Å; N49-N51 WeakPolarHBondContact OD1-CB 3.49Å; N49-N51 PolarHBondContact OD1-N 2.61Å; N49-N51 PolarHBondContact OD1-ND2 3.18Å; N49-D52 WeakPolarHBondContact CB-OD1 3.47Å; N49-D52 PolarHBondContact N-OD2 3.25Å; N49-D52 VanDerWaalsContact O-CB 3.23Å; N49-D52 WeakPolarHBondContact O-CB 3.32Å; N49-D52 VanDerWaalsContact O-CG 3.29Å; N49-D52 PolarHBondContact O-N 3.33Å
50	A	54.5	Low	62.3	Low	90 Å²	90	79.2 Å²	79.2	74%	0.744	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.9	169.2	0	0	0	0	0	111.9
51	N	61.8	Low	64.7	Low	139 Å²	139	86.3 Å²	86.3	74%	0.743	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	4.2	173.9	-56.6	-24	0	0	0	113.9	N49 W53	N49-N51 PolarHBondContact O-N 2.73Å; N49-N51 WeakPolarHBondContact OD1-CB 3.49Å; N49-N51 PolarHBondContact OD1-N 2.61Å; N49-N51 PolarHBondContact OD1-ND2 3.18Å; N51-W53 PolarHBondContact O-N 3.4Å
52	D	74.7	Confident	67.2	Low	54 Å²	54	84.4 Å²	84.4	29%	0.289	46%	0.46	S	S	.	.			trans	-64.6	123.8	174.7	-74.7	-20.4	0	0	0	108.9	S48 N49 N54 L55 V56	S48-D52 VanDerWaalsContact CA-OD2 3.27Å; S48-D52 WeakPolarHBondContact CA-OD2 3.41Å; N49-D52 WeakPolarHBondContact CB-OD1 3.47Å; N49-D52 PolarHBondContact N-OD2 3.25Å; N49-D52 VanDerWaalsContact O-CB 3.23Å; N49-D52 WeakPolarHBondContact O-CB 3.32Å; N49-D52 VanDerWaalsContact O-CG 3.29Å; N49-D52 PolarHBondContact O-N 3.33Å; D52-N54 PolarHBondContact O-N 3.33Å; D52-N54 VanDerWaalsContact O-N 3.1Å; D52-L55 HydrophobicContact CB-CB 4.22Å; D52-L55 HydrophobicContact CB-CD1 4.1Å; D52-L55 HydrophobicContact CB-CG 4.17Å; D52-L55 PolarHBondContact O-N 2.76Å; D52-V56 PolarHBondContact O-N 2.89Å
53	W	86.3	Confident	69.8	Low	85 Å²	85	82.8 Å²	82.8	32%	0.322	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32	-171.4	66.4	-87.9	0	0	0	113.3	N51 L55 V56 R86 I87 L159 Y222	N51-W53 PolarHBondContact O-N 3.4Å; W53-L55 VanDerWaalsContact C-N 3.34Å; W53-V56 WeakPolarHBondContact O-CG1 3.37Å; W53-R86 VanDerWaalsContact CE3-NE 3.3Å; W53-R86 HydrophobicContact CH2-CB 3.35Å; W53-R86 HydrophobicContact CH2-CG 4.25Å; W53-R86 HydrophobicContact CZ2-CB 3.91Å; W53-R86 HydrophobicContact CZ2-CG 4.45Å; W53-R86 HydrophobicContact CZ3-CB 3.74Å; W53-R86 HydrophobicContact CZ3-CG 4.48Å; W53-I87 HydrophobicContact CH2-CG2 4.03Å; W53-I87 HydrophobicContact CZ3-CG2 3.97Å; W53-L159 HydrophobicContact CE3-CD1 4.32Å; W53-L159 HydrophobicContact CE3-CD2 3.99Å; W53-L159 HydrophobicContact CZ3-CD2 3.53Å; W53-L159 WeakPolarHBondContact O-CD1 3.2Å; W53-Y222 HydrophobicContact CH2-CD1 4.14Å; W53-Y222 AromaticContact CH2-CE1 3.67Å; W53-Y222 HydrophobicContact CH2-CE1 3.67Å; W53-Y222 HydrophobicContact CZ2-CE1 4.34Å; W53-Y222 HydrophobicContact CZ3-CD1 4.37Å; W53-Y222 HydrophobicContact CZ3-CE1 4.34Å
54	N	84.4	Confident	72.4	Confident	14 Å²	14	77.4 Å²	77.4	8%	0.075	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-80.4	-13.5	178.6	59	-51.2	0	0	0	113.1	D52 R221 Y222 V224	D52-N54 PolarHBondContact O-N 3.33Å; D52-N54 VanDerWaalsContact O-N 3.1Å; N54-R221 PolarHBondContact O-NH2 3.42Å; N54-Y222 HydrophobicContact CB-CD1 4.31Å; N54-Y222 HydrophobicContact CB-CE1 4.4Å; N54-V224 WeakPolarHBondContact ND2-CB 3.34Å; N54-V224 PolarHBondContact ND2-N 3.04Å
55	L	85.5	Confident	74.8	Confident	59 Å²	59	84.2 Å²	84.2	31%	0.309	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-105.9	10.5	179.9	-61.1	-179.4	0	0	0	113.4	S48 D52 W53 L57 V223	S48-L55 VanDerWaalsContact CB-CD1 3.47Å; D52-L55 HydrophobicContact CB-CB 4.22Å; D52-L55 HydrophobicContact CB-CD1 4.1Å; D52-L55 HydrophobicContact CB-CG 4.17Å; D52-L55 PolarHBondContact O-N 2.76Å; W53-L55 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 2.88Å; L55-V223 HydrophobicContact CD2-CG1 4.46Å
56	V	88.5	Confident	77.2	Confident	49 Å²	49	87.2 Å²	87.2	30%	0.297	46%	0.458	S	S	.	.			trans	-53	123.4	173.5	64.4	0	0	0	0	110.5	D52 W53 V58 T157 L159 R221	D52-V56 PolarHBondContact O-N 2.89Å; W53-V56 WeakPolarHBondContact O-CG1 3.37Å; V56-V58 HydrophobicContact CG2-CG2 4.18Å; V56-T157 HydrophobicContact CG1-CG2 3.72Å; V56-L159 HydrophobicContact CG1-CD1 3.91Å; V56-R221 PolarHBondContact O-NH1 2.86Å; V56-R221 PolarHBondContact O-NH2 3.25Å
57	L	89.1	Confident	79.5	Confident	102 Å²	102	86 Å²	86	53%	0.534	44%	0.444	S	S	.	.			trans	-96.2	113.5	-177.8	-179.1	65	0	0	0	109.9	L55 N62	L55-L57 PolarHBondContact O-N 2.88Å; L57-N62 WeakPolarHBondContact CD2-ND2 3.48Å; L57-N62 HydrophobicContact CG-CB 4.32Å; L57-N62 WeakPolarHBondContact O-CB 3.47Å
58	V	91.1	Very high	81.8	Confident	1 Å²	1	78 Å²	78	1%	0.006	40%	0.402	C	S	.	.			trans	-126.9	143.8	174.5	-173.9	0	0	0	0	108.3	V56 N62 I64 S153 E154 T157	V56-V58 HydrophobicContact CG2-CG2 4.18Å; V58-N62 WeakPolarHBondContact CA-O 3.26Å; V58-I64 HydrophobicContact CG1-CB 4.3Å; V58-I64 HydrophobicContact CG2-CB 4.01Å; V58-I64 HydrophobicContact CG2-CD1 4.32Å; V58-I64 HydrophobicContact CG2-CG1 4.03Å; V58-S153 WeakPolarHBondContact CG1-O 3.4Å; V58-E154 HydrophobicContact CB-CG 4.25Å; V58-T157 HydrophobicContact CG2-CG2 3.7Å
59	G	89.4	Confident	84	Confident	6 Å²	6	77.7 Å²	77.7	6%	0.062	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	161.8	-170.7	179.2	0	0	0	0	0	111.6	K61 N62 Y152	G59-K61 PolarHBondContact O-N 3.25Å; G59-N62 PolarHBondContact N-O 3.04Å; G59-N62 VanDerWaalsContact N-O 3.09Å; G59-N62 CarbonylContact O-C 3.56Å; G59-N62 PolarHBondContact O-N 2.9Å; G59-Y152 WeakPolarHBondContact CA-O 3.4Å; G59-Y152 VanDerWaalsContact O-CD1 3.3Å; G59-Y152 WeakPolarHBondContact O-CD1 3.49Å
60	P	85.5	Confident	86	Confident	74 Å²	74	81.7 Å²	81.7	48%	0.481	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.9	-167.4	-27.1	34.7	0	0	0	116.5	I213	P60-I213 HydrophobicContact CG-CD1 3.92Å; P60-I213 HydrophobicContact CG-CG1 3.75Å
61	K	86.7	Confident	87.9	Confident	179 Å²	179	83.1 Å²	83.1	78%	0.778	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-4.8	178.9	-61.9	178.4	-176.4	168.7	0	113.8	G59	G59-K61 PolarHBondContact O-N 3.25Å
62	N	89.5	Confident	89.5	Confident	70 Å²	70	79.4 Å²	79.4	37%	0.374	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-133.4	102.2	-173.7	-58.7	-73.8	0	0	0	109.2	L57 V58 G59	L57-N62 WeakPolarHBondContact CD2-ND2 3.48Å; L57-N62 HydrophobicContact CG-CB 4.32Å; L57-N62 WeakPolarHBondContact O-CB 3.47Å; V58-N62 WeakPolarHBondContact CA-O 3.26Å; G59-N62 PolarHBondContact N-O 3.04Å; G59-N62 VanDerWaalsContact N-O 3.09Å; G59-N62 CarbonylContact O-C 3.56Å; G59-N62 PolarHBondContact O-N 2.9Å
63	K	92.8	Very high	90.6	Very high	123 Å²	123	78 Å²	78	54%	0.535	39%	0.393	S	S	.	.			trans	-74	139.8	173.7	-165.9	175.1	-177.7	173.1	0	109.4	E65 G151 Y152	K63-E65 PolarHBondContact O-N 3.39Å; K63-G151 CarbonylContact C-O 3.49Å; K63-G151 WeakPolarHBondContact CA-O 3.25Å; K63-G151 WeakPolarHBondContact CG-O 3.38Å; K63-Y152 HydrophobicContact CB-CD1 4.09Å; K63-Y152 HydrophobicContact CB-CE1 3.63Å; K63-Y152 HydrophobicContact CB-CE2 4.34Å; K63-Y152 HydrophobicContact CD-CE2 4.14Å; K63-Y152 HydrophobicContact CG-CD2 4.44Å; K63-Y152 HydrophobicContact CG-CE1 4.29Å; K63-Y152 HydrophobicContact CG-CE2 4.14Å
64	I	92.3	Very high	91.1	Very high	19 Å²	19	76.5 Å²	76.5	10%	0.097	39%	0.393	C	S	.	.			trans	-62.7	133.8	173.9	-162.5	170.6	0	0	0	110.6	V58 K66 E67 V114 G151 H156 T157	V58-I64 HydrophobicContact CG1-CB 4.3Å; V58-I64 HydrophobicContact CG2-CB 4.01Å; V58-I64 HydrophobicContact CG2-CD1 4.32Å; V58-I64 HydrophobicContact CG2-CG1 4.03Å; I64-K66 WeakPolarHBondContact CD1-O 3.39Å; I64-K66 WeakPolarHBondContact CG1-O 3.2Å; I64-E67 HydrophobicContact CD1-CB 4.33Å; I64-V114 HydrophobicContact CG2-CG2 4.14Å; I64-G151 WeakPolarHBondContact CG2-O 3.41Å; I64-G151 PolarHBondContact N-O 3Å; I64-H156 HydrophobicContact CD1-CB 3.57Å; I64-H156 HydrophobicContact CG2-CB 4.33Å; I64-T157 HydrophobicContact CD1-CG2 3.78Å
65	E	88.9	Confident	91.8	Very high	202 Å²	202	79.1 Å²	79.1	94%	0.944	41%	0.41	S	S	*	.	S	Bend	trans	-77.3	-40.8	175.1	-65.7	-172.2	169.8	0	0	111.8	K63	K63-E65 PolarHBondContact O-N 3.39Å
66	K	90.2	Very high	92.3	Very high	168 Å²	168	76.6 Å²	76.6	73%	0.73	40%	0.397	S	S	*	.	S	Bend	trans	-150.1	125.3	-179.2	-174.6	179.5	172.3	-178.2	0	109.8	I64	I64-K66 WeakPolarHBondContact CD1-O 3.39Å; I64-K66 WeakPolarHBondContact CG1-O 3.2Å
67	E	93.1	Very high	92.5	Very high	61 Å²	61	78 Å²	78	29%	0.285	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-70.2	161.8	171.3	63.1	177.4	-160.5	0	0	112	I64 A69 S113 V114 H156	I64-E67 HydrophobicContact CD1-CB 4.33Å; E67-A69 PolarHBondContact O-N 2.88Å; E67-S113 WeakPolarHBondContact OE2-CA 3.16Å; E67-V114 WeakPolarHBondContact OE2-CG2 3.41Å; E67-V114 PolarHBondContact OE2-N 3.27Å; E67-H156 WeakPolarHBondContact CA-O 3.21Å; E67-H156 HydrophobicContact CB-CB 4.36Å; E67-H156 WeakPolarHBondContact CB-O 3.35Å
68	V	93.9	Very high	92.7	Very high	12 Å²	12	76 Å²	76	7%	0.073	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-59.6	136.5	174.8	59.6	0	0	0	0	110	Q72 L73 D84 F111 H156	V68-Q72 HydrophobicContact CG2-CB 3.87Å; V68-Q72 HydrophobicContact CG2-CG 3.9Å; V68-L73 HydrophobicContact CG1-CD2 3.6Å; V68-L73 HydrophobicContact CG1-CG 4.23Å; V68-L73 HydrophobicContact CG2-CD2 4.23Å; V68-D84 HydrophobicContact CG2-CB 4.43Å; V68-F111 HydrophobicContact CG1-CD2 3.47Å; V68-F111 VanDerWaalsContact CG1-CD2 3.47Å; V68-F111 HydrophobicContact CG1-CE2 3.36Å; V68-F111 HydrophobicContact CG1-CG 4.42Å; V68-F111 HydrophobicContact CG1-CZ 4.25Å; V68-H156 PolarHBondContact N-O 3.49Å; V68-H156 VanDerWaalsContact N-O 3.17Å
69	A	93.7	Very high	92.7	Very high	36 Å²	36	82.7 Å²	82.7	30%	0.298	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-70	144.1	-179.6	0	0	0	0	0	110.5	E67 S71 Q72 L73	E67-A69 PolarHBondContact O-N 2.88Å; A69-S71 PolarHBondContact O-N 3.22Å; A69-S71 VanDerWaalsContact O-N 3.1Å; A69-Q72 WeakPolarHBondContact O-CA 3.49Å; A69-Q72 WeakPolarHBondContact O-CB 3.23Å; A69-Q72 PolarHBondContact O-N 2.9Å; A69-L73 PolarHBondContact O-N 3.18Å
70	E	93.6	Very high	93	Very high	173 Å²	173	86.1 Å²	86.1	81%	0.808	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-52.4	-37.4	176.2	-68.1	-176.8	169.9	0	0	112.8	Q72 L73	E70-Q72 PolarHBondContact O-N 2.98Å; E70-L73 PolarHBondContact O-N 3.4Å
71	S	94.8	Very high	93.5	Very high	120 Å²	120	84.7 Å²	84.7	84%	0.839	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-67	-14	177	58.6	0	0	0	0	115.1	A69	A69-S71 PolarHBondContact O-N 3.22Å; A69-S71 VanDerWaalsContact O-N 3.1Å
72	Q	95.7	Very high	94.1	Very high	60 Å²	60	80 Å²	80	28%	0.28	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-101.5	-6	178.8	-175.7	157.9	26.6	0	0	112.3	V68 A69 E70 S85	V68-Q72 HydrophobicContact CG2-CB 3.87Å; V68-Q72 HydrophobicContact CG2-CG 3.9Å; A69-Q72 WeakPolarHBondContact O-CA 3.49Å; A69-Q72 WeakPolarHBondContact O-CB 3.23Å; A69-Q72 PolarHBondContact O-N 2.9Å; E70-Q72 PolarHBondContact O-N 2.98Å; Q72-S85 VanDerWaalsContact O-CB 3.24Å; Q72-S85 WeakPolarHBondContact O-CB 3.44Å; Q72-S85 PolarHBondContact O-N 2.84Å; Q72-S85 PolarHBondContact O-OG 3.31Å
73	L	97.3	Very high	94.4	Very high	24 Å²	24	76.7 Å²	76.7	13%	0.126	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	144.4	175.1	-67.7	172.6	0	0	0	111.2	V68 A69 E70 Q82 V83 F111	V68-L73 HydrophobicContact CG1-CD2 3.6Å; V68-L73 HydrophobicContact CG1-CG 4.23Å; V68-L73 HydrophobicContact CG2-CD2 4.23Å; A69-L73 PolarHBondContact O-N 3.18Å; E70-L73 PolarHBondContact O-N 3.4Å; L73-Q82 HydrophobicContact CB-CB 4.42Å; L73-Q82 HydrophobicContact CD2-CB 4.43Å; L73-V83 VanDerWaalsContact CA-O 3.32Å; L73-V83 WeakPolarHBondContact CA-O 3.46Å; L73-V83 WeakPolarHBondContact CD2-O 3.47Å; L73-F111 HydrophobicContact CD1-CD1 3.46Å; L73-F111 VanDerWaalsContact CD1-CD1 3.46Å; L73-F111 HydrophobicContact CD1-CD2 4.48Å; L73-F111 HydrophobicContact CD1-CE1 3.43Å; L73-F111 VanDerWaalsContact CD1-CE1 3.43Å; L73-F111 HydrophobicContact CD1-CE2 4.47Å; L73-F111 HydrophobicContact CD1-CG 4Å; L73-F111 HydrophobicContact CD1-CZ 3.96Å; L73-F111 HydrophobicContact CD2-CB 3.99Å; L73-F111 HydrophobicContact CD2-CD1 4.08Å; L73-F111 HydrophobicContact CD2-CD2 4.04Å; L73-F111 HydrophobicContact CD2-CG 3.75Å; L73-F111 HydrophobicContact CG-CD1 4.44Å
74	T	97.6	Very high	94.7	Very high	54 Å²	54	70.8 Å²	70.8	33%	0.331	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.2	167.6	-168	0	0	0	0	109.8	Q82 V83 A88	T74-Q82 VanDerWaalsContact O-CA 3.27Å; T74-Q82 WeakPolarHBondContact O-CA 3.48Å; T74-V83 HydrophobicContact CG2-CG2 4.15Å; T74-V83 PolarHBondContact N-O 3.39Å; T74-V83 PolarHBondContact O-N 2.96Å; T74-A88 HydrophobicContact CG2-CB 3.45Å; T74-A88 VanDerWaalsContact CG2-CB 3.45Å
75	T	97.7	Very high	94.9	Very high	69 Å²	69	72.8 Å²	72.8	42%	0.423	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.4	173.4	-53.2	0	0	0	0	109.6	H81	T75-H81 WeakPolarHBondContact CA-O 3.38Å
76	L	96.7	Very high	95.1	Very high	7 Å²	7	67.6 Å²	67.6	4%	0.037	37%	0.369	C	S	.	.			trans	-72.2	171.5	174.4	-66.6	177.6	0	0	0	111.7	D78 N79 H81 V83 Y91 V107	L76-D78 PolarHBondContact O-N 2.87Å; L76-D78 VanDerWaalsContact O-N 3.1Å; L76-N79 PolarHBondContact O-N 3.35Å; L76-H81 HydrophobicContact CD1-CB 4.27Å; L76-H81 PolarHBondContact N-O 2.84Å; L76-V83 HydrophobicContact CD1-CG1 3.85Å; L76-V83 HydrophobicContact CD2-CG1 4.26Å; L76-V83 HydrophobicContact CD2-CG2 3.56Å; L76-V83 HydrophobicContact CG-CG1 4.11Å; L76-V83 HydrophobicContact CG-CG2 4.05Å; L76-Y91 HydrophobicContact CD1-CD1 3.78Å; L76-Y91 HydrophobicContact CD1-CE1 3.69Å; L76-Y91 HydrophobicContact CD2-CD1 3.71Å; L76-Y91 HydrophobicContact CD2-CE1 4.39Å; L76-Y91 HydrophobicContact CD2-CG 4.48Å; L76-Y91 HydrophobicContact CG-CD1 4.35Å; L76-V107 HydrophobicContact CD1-CG2 4.25Å
77	S	93.7	Very high	95.4	Very high	79 Å²	79	59.6 Å²	59.6	55%	0.552	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.6	178.5	58	0	0	0	0	114.7	N79 E92	S77-N79 PolarHBondContact O-N 3.32Å; S77-N79 PolarHBondContact O-ND2 3.23Å; S77-E92 WeakPolarHBondContact CB-OE1 3.39Å; S77-E92 VanDerWaalsContact CB-OE2 3.32Å; S77-E92 WeakPolarHBondContact CB-OE2 3.18Å; S77-E92 PolarHBondContact N-OE1 3.39Å; S77-E92 VanDerWaalsContact OG-CD 3.27Å; S77-E92 PolarHBondContact OG-OE1 2.85Å; S77-E92 VanDerWaalsContact OG-OE1 3.12Å; S77-E92 PolarHBondContact OG-OE2 3.28Å
78	D	92.1	Very high	95.5	Very high	58 Å²	58	57.4 Å²	57.4	31%	0.31	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.1	173.2	71.5	4.9	0	0	0	114.5	L76 S80 H81	L76-D78 PolarHBondContact O-N 2.87Å; L76-D78 VanDerWaalsContact O-N 3.1Å; D78-S80 VanDerWaalsContact CG-OG 3.27Å; D78-S80 PolarHBondContact O-N 3.2Å; D78-S80 PolarHBondContact OD1-N 2.9Å; D78-S80 PolarHBondContact OD1-OG 3.03Å; D78-S80 PolarHBondContact OD2-OG 3.35Å; D78-H81 PolarHBondContact OD1-N 3.39Å; D78-H81 IonicContact OD2-CE1 2.82Å; D78-H81 IonicContact OD2-CG 3.9Å; D78-H81 IonicContact OD2-ND1 3.68Å; D78-H81 PolarHBondContact OD2-ND1 3.1Å
79	N	92.4	Very high	95.5	Very high	143 Å²	143	63.6 Å²	63.6	77%	0.765	35%	0.353	S	S	*	.	S	Bend	trans	61.7	16.4	-178.3	-53.1	-77.3	0	0	0	115.2	L76 S77	L76-N79 PolarHBondContact O-N 3.35Å; S77-N79 PolarHBondContact O-N 3.32Å; S77-N79 PolarHBondContact O-ND2 3.23Å
80	S	94.1	Very high	95.5	Very high	78 Å²	78	63.8 Å²	63.8	55%	0.545	35%	0.349	S	S	.	.	S	Bend	trans	-130.2	-44.2	-178.3	59.1	0	0	0	0	113.2	D78	D78-S80 VanDerWaalsContact CG-OG 3.27Å; D78-S80 PolarHBondContact O-N 3.2Å; D78-S80 PolarHBondContact OD1-N 2.9Å; D78-S80 PolarHBondContact OD1-OG 3.03Å; D78-S80 PolarHBondContact OD2-OG 3.35Å
81	H	97.2	Very high	95.7	Very high	43 Å²	43	55.8 Å²	55.8	20%	0.199	31%	0.311	C	S	.	.			trans	-93.7	139.2	-171.7	-67	100.7	0	0	0	111.7	T75 L76 D78 V107 A110	T75-H81 WeakPolarHBondContact CA-O 3.38Å; L76-H81 HydrophobicContact CD1-CB 4.27Å; L76-H81 PolarHBondContact N-O 2.84Å; D78-H81 PolarHBondContact OD1-N 3.39Å; D78-H81 IonicContact OD2-CE1 2.82Å; D78-H81 IonicContact OD2-CG 3.9Å; D78-H81 IonicContact OD2-ND1 3.68Å; D78-H81 PolarHBondContact OD2-ND1 3.1Å; H81-V107 HydrophobicContact CB-CG1 3.89Å; H81-V107 PolarHBondContact CE1-O 3.29Å; H81-V107 VanDerWaalsContact CG-CG1 3.41Å; H81-V107 WeakPolarHBondContact ND1-CG1 3.16Å; H81-A110 HydrophobicContact CB-CB 3.88Å
82	Q	97.8	Very high	95.8	Very high	81 Å²	81	52.8 Å²	52.8	38%	0.379	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.6	176.7	-63.6	-175.1	-70	0	0	110.9	L73 T74 A110 F111	L73-Q82 HydrophobicContact CB-CB 4.42Å; L73-Q82 HydrophobicContact CD2-CB 4.43Å; T74-Q82 VanDerWaalsContact O-CA 3.27Å; T74-Q82 WeakPolarHBondContact O-CA 3.48Å; Q82-A110 VanDerWaalsContact O-CB 3.25Å; Q82-A110 WeakPolarHBondContact O-CB 3.5Å; Q82-F111 HydrophobicContact CB-CB 4.35Å; Q82-F111 WeakPolarHBondContact O-CB 3.34Å; Q82-F111 PolarHBondContact O-N 3.06Å
83	V	97.9	Very high	95.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	167.9	175.4	-64.2	0	0	0	0	110	L73 T74 L76 S85 I87 A88 A110 I161	L73-V83 VanDerWaalsContact CA-O 3.32Å; L73-V83 WeakPolarHBondContact CA-O 3.46Å; L73-V83 WeakPolarHBondContact CD2-O 3.47Å; T74-V83 HydrophobicContact CG2-CG2 4.15Å; T74-V83 PolarHBondContact N-O 3.39Å; T74-V83 PolarHBondContact O-N 2.96Å; L76-V83 HydrophobicContact CD1-CG1 3.85Å; L76-V83 HydrophobicContact CD2-CG1 4.26Å; L76-V83 HydrophobicContact CD2-CG2 3.56Å; L76-V83 HydrophobicContact CG-CG1 4.11Å; L76-V83 HydrophobicContact CG-CG2 4.05Å; V83-S85 PolarHBondContact O-N 3.2Å; V83-I87 HydrophobicContact CB-CD1 4.02Å; V83-I87 HydrophobicContact CB-CG1 3.96Å; V83-I87 HydrophobicContact CG1-CD1 4.3Å; V83-I87 HydrophobicContact CG2-CG1 4.09Å; V83-A88 HydrophobicContact CG2-CB 4.01Å; V83-A110 HydrophobicContact CG1-CB 4.06Å; V83-I161 HydrophobicContact CG1-CD1 3.85Å; V83-I161 HydrophobicContact CG1-CG1 4.05Å
84	D	97.4	Very high	95.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	125.9	165.5	-168.1	-51.7	0	0	0	109.8	V68 R86 I87 G158 L159	V68-D84 HydrophobicContact CG2-CB 4.43Å; D84-R86 PolarHBondContact O-N 2.85Å; D84-R86 VanDerWaalsContact OD1-CB 3.28Å; D84-R86 WeakPolarHBondContact OD1-CB 3.22Å; D84-R86 VanDerWaalsContact OD1-CG 3.3Å; D84-R86 WeakPolarHBondContact OD1-CG 3.24Å; D84-R86 IonicContact OD1-CZ 3.51Å; D84-R86 PolarHBondContact OD1-N 3.11Å; D84-R86 IonicContact OD1-NE 3.71Å; D84-R86 PolarHBondContact OD1-NE 3.5Å; D84-R86 IonicContact OD1-NH2 3.49Å; D84-R86 IonicContact OD2-CZ 2.73Å; D84-R86 VanDerWaalsContact OD2-CZ 3.3Å; D84-R86 IonicContact OD2-NE 2.63Å; D84-R86 PolarHBondContact OD2-NE 3.3Å; D84-R86 IonicContact OD2-NH2 3.77Å; D84-R86 PolarHBondContact OD2-NH2 3.25Å; D84-I87 HydrophobicContact CB-CG1 4.45Å; D84-I87 VanDerWaalsContact O-CG1 3.24Å; D84-I87 WeakPolarHBondContact O-CG1 3.5Å; D84-I87 PolarHBondContact O-N 3.07Å; D84-G158 PolarHBondContact N-O 2.75Å; D84-L159 HydrophobicContact CB-CD2 3.84Å
85	S	96.5	Very high	95.8	Very high	60 Å²	60	51 Å²	51	42%	0.42	27%	0.273	S	S	.	.	H	α-helix	trans	-52.3	-24.7	179.6	52	0	0	0	0	114.2	Q72 V83 I87	Q72-S85 VanDerWaalsContact O-CB 3.24Å; Q72-S85 WeakPolarHBondContact O-CB 3.44Å; Q72-S85 PolarHBondContact O-N 2.84Å; Q72-S85 PolarHBondContact O-OG 3.31Å; V83-S85 PolarHBondContact O-N 3.2Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.13Å
86	R	94.7	Very high	95.7	Very high	93 Å²	93	53.6 Å²	53.6	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-70.7	-21.5	177.7	-63.6	174.3	-72	-168.5	0	114	W53 D84	W53-R86 VanDerWaalsContact CE3-NE 3.3Å; W53-R86 HydrophobicContact CH2-CB 3.35Å; W53-R86 HydrophobicContact CH2-CG 4.25Å; W53-R86 HydrophobicContact CZ2-CB 3.91Å; W53-R86 HydrophobicContact CZ2-CG 4.45Å; W53-R86 HydrophobicContact CZ3-CB 3.74Å; W53-R86 HydrophobicContact CZ3-CG 4.48Å; D84-R86 PolarHBondContact O-N 2.85Å; D84-R86 VanDerWaalsContact OD1-CB 3.28Å; D84-R86 WeakPolarHBondContact OD1-CB 3.22Å; D84-R86 VanDerWaalsContact OD1-CG 3.3Å; D84-R86 WeakPolarHBondContact OD1-CG 3.24Å; D84-R86 IonicContact OD1-CZ 3.51Å; D84-R86 PolarHBondContact OD1-N 3.11Å; D84-R86 IonicContact OD1-NE 3.71Å; D84-R86 PolarHBondContact OD1-NE 3.5Å; D84-R86 IonicContact OD1-NH2 3.49Å; D84-R86 IonicContact OD2-CZ 2.73Å; D84-R86 VanDerWaalsContact OD2-CZ 3.3Å; D84-R86 IonicContact OD2-NE 2.63Å; D84-R86 PolarHBondContact OD2-NE 3.3Å; D84-R86 IonicContact OD2-NH2 3.77Å; D84-R86 PolarHBondContact OD2-NH2 3.25Å
87	I	95.2	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-105	-12.1	-178.4	73.2	155.3	0	0	0	113.1	W53 V83 D84 S85 K89 D90 Y91 G158 L159 I161 F199 Y222	W53-I87 HydrophobicContact CH2-CG2 4.03Å; W53-I87 HydrophobicContact CZ3-CG2 3.97Å; V83-I87 HydrophobicContact CB-CD1 4.02Å; V83-I87 HydrophobicContact CB-CG1 3.96Å; V83-I87 HydrophobicContact CG1-CD1 4.3Å; V83-I87 HydrophobicContact CG2-CG1 4.09Å; D84-I87 HydrophobicContact CB-CG1 4.45Å; D84-I87 VanDerWaalsContact O-CG1 3.24Å; D84-I87 WeakPolarHBondContact O-CG1 3.5Å; D84-I87 PolarHBondContact O-N 3.07Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.13Å; I87-K89 VanDerWaalsContact C-N 3.34Å; I87-K89 PolarHBondContact O-N 3.44Å; I87-D90 PolarHBondContact O-N 3.29Å; I87-Y91 PolarHBondContact O-N 2.94Å; I87-G158 WeakPolarHBondContact CD1-O 3.39Å; I87-L159 HydrophobicContact CG2-CD2 3.65Å; I87-I161 HydrophobicContact CD1-CD1 4.08Å; I87-F199 HydrophobicContact CD1-CE1 4.15Å; I87-F199 HydrophobicContact CD1-CZ 4.33Å; I87-Y222 HydrophobicContact CB-CD1 4.41Å; I87-Y222 HydrophobicContact CB-CD2 4.05Å; I87-Y222 HydrophobicContact CB-CE2 4.34Å; I87-Y222 HydrophobicContact CB-CG 4.05Å; I87-Y222 HydrophobicContact CG2-CD1 3.37Å; I87-Y222 HydrophobicContact CG2-CD2 3.89Å; I87-Y222 HydrophobicContact CG2-CE1 3.73Å; I87-Y222 HydrophobicContact CG2-CE2 4.21Å; I87-Y222 HydrophobicContact CG2-CG 3.43Å; I87-Y222 VanDerWaalsContact CG2-CG 3.43Å
88	A	96.4	Very high	95.8	Very high	16 Å²	16	50.2 Å²	50.2	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-46.5	-171.9	0	0	0	0	0	112.1	T74 V83 D90 Y91 E92	T74-A88 HydrophobicContact CG2-CB 3.45Å; T74-A88 VanDerWaalsContact CG2-CB 3.45Å; V83-A88 HydrophobicContact CG2-CB 4.01Å; A88-D90 PolarHBondContact O-N 3.23Å; A88-Y91 PolarHBondContact O-N 3.12Å; A88-E92 VanDerWaalsContact O-CG 3.26Å; A88-E92 WeakPolarHBondContact O-CG 3.2Å; A88-E92 PolarHBondContact O-N 2.97Å
89	K	93.7	Very high	96	Very high	142 Å²	142	51 Å²	51	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-58.6	-48.6	178.6	-176.7	-175.1	167.5	-166.9	0	112.1	I87 Y91 E92 E93	I87-K89 VanDerWaalsContact C-N 3.34Å; I87-K89 PolarHBondContact O-N 3.44Å; K89-Y91 VanDerWaalsContact C-N 3.29Å; K89-Y91 PolarHBondContact O-N 3.06Å; K89-E92 PolarHBondContact O-N 3.01Å; K89-E93 WeakPolarHBondContact CE-OE1 3.37Å; K89-E93 IonicContact NZ-OE1 3.52Å; K89-E93 PolarHBondContact NZ-OE1 2.91Å; K89-E93 WeakPolarHBondContact O-CG 3.35Å; K89-E93 PolarHBondContact O-N 2.92Å
90	D	94.1	Very high	96.2	Very high	39 Å²	39	51.7 Å²	51.7	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-34.6	-177.1	-60.7	-26.1	0	0	0	111.3	I87 A88 F94 F199 Y222	I87-D90 PolarHBondContact O-N 3.29Å; A88-D90 PolarHBondContact O-N 3.23Å; D90-F94 WeakPolarHBondContact O-CB 3.39Å; D90-F94 PolarHBondContact O-N 3.27Å; D90-F199 HydrophobicContact CB-CE2 4.19Å; D90-Y222 HydrophobicContact CB-CE2 3.9Å; D90-Y222 WeakPolarHBondContact OD2-CE2 3.48Å; D90-Y222 PolarHBondContact OD2-OH 2.9Å
91	Y	97.1	Very high	96.3	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.02	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-43.4	173.8	-178.1	-98.9	0	0	0	112.6	L76 I87 A88 K89 F94 S95 V107 I161 F199 I220	L76-Y91 HydrophobicContact CD1-CD1 3.78Å; L76-Y91 HydrophobicContact CD1-CE1 3.69Å; L76-Y91 HydrophobicContact CD2-CD1 3.71Å; L76-Y91 HydrophobicContact CD2-CE1 4.39Å; L76-Y91 HydrophobicContact CD2-CG 4.48Å; L76-Y91 HydrophobicContact CG-CD1 4.35Å; I87-Y91 PolarHBondContact O-N 2.94Å; A88-Y91 PolarHBondContact O-N 3.12Å; K89-Y91 VanDerWaalsContact C-N 3.29Å; K89-Y91 PolarHBondContact O-N 3.06Å; Y91-F94 HydrophobicContact CD2-CD1 4.29Å; Y91-F94 HydrophobicContact CE2-CD1 4.31Å; Y91-F94 WeakPolarHBondContact O-CB 3.33Å; Y91-F94 PolarHBondContact O-N 3.12Å; Y91-S95 WeakPolarHBondContact O-CB 3.5Å; Y91-S95 PolarHBondContact O-N 3.19Å; Y91-V107 HydrophobicContact CE1-CG2 4.08Å; Y91-V107 WeakPolarHBondContact OH-CG2 3.47Å; Y91-I161 HydrophobicContact CD1-CD1 4.45Å; Y91-I161 HydrophobicContact CD2-CD1 3.31Å; Y91-I161 HydrophobicContact CE2-CD1 3.7Å; Y91-I161 HydrophobicContact CE2-CG2 4.12Å; Y91-I161 HydrophobicContact CG-CD1 3.74Å; Y91-F199 HydrophobicContact CD2-CZ 4.13Å; Y91-F199 HydrophobicContact CG-CZ 4.48Å; Y91-I220 HydrophobicContact CD2-CD1 4.34Å; Y91-I220 HydrophobicContact CE2-CD1 4.16Å
92	E	97.3	Very high	96.2	Very high	57 Å²	57	50.4 Å²	50.4	27%	0.266	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-41.7	178.7	-64.4	-68.9	172.7	0	0	111.1	S77 A88 K89 F94 S95 E96	S77-E92 WeakPolarHBondContact CB-OE1 3.39Å; S77-E92 VanDerWaalsContact CB-OE2 3.32Å; S77-E92 WeakPolarHBondContact CB-OE2 3.18Å; S77-E92 PolarHBondContact N-OE1 3.39Å; S77-E92 VanDerWaalsContact OG-CD 3.27Å; S77-E92 PolarHBondContact OG-OE1 2.85Å; S77-E92 VanDerWaalsContact OG-OE1 3.12Å; S77-E92 PolarHBondContact OG-OE2 3.28Å; A88-E92 VanDerWaalsContact O-CG 3.26Å; A88-E92 WeakPolarHBondContact O-CG 3.2Å; A88-E92 PolarHBondContact O-N 2.97Å; K89-E92 PolarHBondContact O-N 3.01Å; E92-F94 VanDerWaalsContact C-N 3.33Å; E92-F94 PolarHBondContact O-N 3.17Å; E92-S95 PolarHBondContact O-N 3.02Å; E92-E96 WeakPolarHBondContact O-CB 3.35Å; E92-E96 PolarHBondContact O-N 2.89Å
93	E	95.4	Very high	96.2	Very high	79 Å²	79	48.6 Å²	48.6	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-39.2	173.6	-70.9	-178.7	-179.3	0	0	111.9	K89 A97 Y197	K89-E93 WeakPolarHBondContact CE-OE1 3.37Å; K89-E93 IonicContact NZ-OE1 3.52Å; K89-E93 PolarHBondContact NZ-OE1 2.91Å; K89-E93 WeakPolarHBondContact O-CG 3.35Å; K89-E93 PolarHBondContact O-N 2.92Å; E93-A97 WeakPolarHBondContact O-CB 3.47Å; E93-A97 PolarHBondContact O-N 3.12Å; E93-A97 VanDerWaalsContact O-N 3.1Å; E93-Y197 HydrophobicContact CB-CD1 3.95Å; E93-Y197 HydrophobicContact CB-CE1 3.94Å
94	F	96.3	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-45.1	174.1	173.3	-128.8	0	0	0	112.4	D90 Y91 E92 A97 A98 L105 W189 I190 A194 Y197 I220	D90-F94 WeakPolarHBondContact O-CB 3.39Å; D90-F94 PolarHBondContact O-N 3.27Å; Y91-F94 HydrophobicContact CD2-CD1 4.29Å; Y91-F94 HydrophobicContact CE2-CD1 4.31Å; Y91-F94 WeakPolarHBondContact O-CB 3.33Å; Y91-F94 PolarHBondContact O-N 3.12Å; E92-F94 VanDerWaalsContact C-N 3.33Å; E92-F94 PolarHBondContact O-N 3.17Å; F94-A97 PolarHBondContact O-N 3.05Å; F94-A98 WeakPolarHBondContact O-CB 3.48Å; F94-A98 PolarHBondContact O-N 3.39Å; F94-L105 HydrophobicContact CD1-CD1 3.82Å; F94-L105 HydrophobicContact CE1-CD1 3.48Å; F94-L105 VanDerWaalsContact CE1-CD1 3.48Å; F94-L105 HydrophobicContact CZ-CD1 3.93Å; F94-W189 HydrophobicContact CD2-CH2 4.44Å; F94-W189 HydrophobicContact CD2-CZ3 4.21Å; F94-W189 HydrophobicContact CE2-CE3 4.44Å; F94-W189 HydrophobicContact CE2-CH2 4.13Å; F94-W189 AromaticContact CE2-CZ3 3.51Å; F94-W189 HydrophobicContact CE2-CZ3 3.51Å; F94-W189 HydrophobicContact CZ-CZ3 4.22Å; F94-I190 HydrophobicContact CZ-CB 4.39Å; F94-I190 HydrophobicContact CZ-CG1 4.12Å; F94-I190 HydrophobicContact CZ-CG2 4.07Å; F94-A194 HydrophobicContact CE1-CB 4.3Å; F94-A194 HydrophobicContact CE2-CB 3.84Å; F94-A194 HydrophobicContact CZ-CB 3.7Å; F94-Y197 HydrophobicContact CB-CD1 4.11Å; F94-Y197 HydrophobicContact CB-CD2 3.8Å; F94-Y197 HydrophobicContact CB-CE2 4.43Å; F94-Y197 HydrophobicContact CB-CG 3.63Å; F94-Y197 AromaticContact CD2-CD2 3.51Å; F94-Y197 HydrophobicContact CD2-CD2 3.51Å; F94-Y197 AromaticContact CD2-CE2 3.93Å; F94-Y197 HydrophobicContact CD2-CE2 3.93Å; F94-Y197 HydrophobicContact CD2-CG 4.23Å; F94-Y197 HydrophobicContact CG-CD2 4.05Å; F94-Y197 HydrophobicContact CG-CG 4.31Å; F94-I220 HydrophobicContact CD1-CD1 4.34Å; F94-I220 HydrophobicContact CE1-CD1 3.94Å
95	S	97.3	Very high	96.1	Very high	21 Å²	21	52.1 Å²	52.1	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-39.1	179.6	-172.9	0	0	0	0	112.4	Y91 E92 A98 T99	Y91-S95 WeakPolarHBondContact O-CB 3.5Å; Y91-S95 PolarHBondContact O-N 3.19Å; E92-S95 PolarHBondContact O-N 3.02Å; S95-A98 PolarHBondContact O-N 3.38Å; S95-T99 PolarHBondContact O-N 3.29Å; S95-T99 PolarHBondContact O-OG1 3.34Å
96	E	96.5	Very high	96.1	Very high	124 Å²	124	50.2 Å²	50.2	58%	0.579	27%	0.269	S	S	*	.	H	α-helix	trans	-63	-49.1	174	-173.7	170.5	-158.3	0	0	111	E92 A98 T99 E100	E92-E96 WeakPolarHBondContact O-CB 3.35Å; E92-E96 PolarHBondContact O-N 2.89Å; E96-A98 VanDerWaalsContact C-N 3.28Å; E96-A98 PolarHBondContact O-N 2.94Å; E96-T99 WeakPolarHBondContact O-CB 3.48Å; E96-T99 PolarHBondContact O-N 3.23Å; E96-T99 VanDerWaalsContact O-N 3.09Å; E96-E100 WeakPolarHBondContact O-CG 3.39Å; E96-E100 PolarHBondContact O-N 3.09Å
97	A	95.8	Very high	96.2	Very high	15 Å²	15	46.6 Å²	46.6	12%	0.124	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-34.8	177.9	0	0	0	0	0	113.3	E93 F94 E100 A101 W189 Y197	E93-A97 WeakPolarHBondContact O-CB 3.47Å; E93-A97 PolarHBondContact O-N 3.12Å; E93-A97 VanDerWaalsContact O-N 3.1Å; F94-A97 PolarHBondContact O-N 3.05Å; A97-E100 PolarHBondContact O-N 2.76Å; A97-A101 WeakPolarHBondContact O-CB 3.44Å; A97-A101 PolarHBondContact O-N 2.62Å; A97-W189 HydrophobicContact CB-CH2 4.22Å; A97-Y197 HydrophobicContact CB-CE2 4.2Å; A97-Y197 WeakPolarHBondContact CB-OH 3.42Å
98	A	96.6	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-42.4	174.4	0	0	0	0	0	111.3	F94 S95 E96 A101 G102 F103 L105 W189	F94-A98 WeakPolarHBondContact O-CB 3.48Å; F94-A98 PolarHBondContact O-N 3.39Å; S95-A98 PolarHBondContact O-N 3.38Å; E96-A98 VanDerWaalsContact C-N 3.28Å; E96-A98 PolarHBondContact O-N 2.94Å; A98-A101 PolarHBondContact O-N 2.95Å; A98-G102 PolarHBondContact O-N 2.87Å; A98-F103 CarbonylContact C-O 3.13Å; A98-F103 VanDerWaalsContact CB-O 3.31Å; A98-F103 WeakPolarHBondContact CB-O 3.5Å; A98-F103 CarbonylContact O-C 3.56Å; A98-F103 VanDerWaalsContact O-C 3.31Å; A98-F103 WeakPolarHBondContact O-CA 3.49Å; A98-F103 PolarHBondContact O-N 3.18Å; A98-L105 HydrophobicContact CB-CD1 3.81Å; A98-L105 HydrophobicContact CB-CD2 3.82Å; A98-L105 HydrophobicContact CB-CG 3.54Å; A98-W189 VanDerWaalsContact CA-CZ3 3.49Å; A98-W189 HydrophobicContact CB-CE3 4.13Å; A98-W189 HydrophobicContact CB-CH2 3.7Å; A98-W189 HydrophobicContact CB-CZ3 3.37Å; A98-W189 VanDerWaalsContact N-CH2 3.33Å
99	T	97.1	Very high	96.1	Very high	76 Å²	76	49 Å²	49	47%	0.466	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-44.9	174.7	-58.8	0	0	0	0	111.4	S95 E96 A101 G102 P104	S95-T99 PolarHBondContact O-N 3.29Å; S95-T99 PolarHBondContact O-OG1 3.34Å; E96-T99 WeakPolarHBondContact O-CB 3.48Å; E96-T99 PolarHBondContact O-N 3.23Å; E96-T99 VanDerWaalsContact O-N 3.09Å; T99-A101 VanDerWaalsContact C-N 3.29Å; T99-A101 PolarHBondContact O-N 3.4Å; T99-G102 PolarHBondContact O-N 3.27Å; T99-G102 VanDerWaalsContact O-N 3.12Å; T99-P104 HydrophobicContact CG2-CG 4.44Å
100	E	95.8	Very high	96.3	Very high	157 Å²	157	42.3 Å²	42.3	73%	0.734	24%	0.24	S	C	*	.	H	α-helix	trans	-62	-34.4	175.9	-70.1	-174.7	164.5	0	0	113.1	E96 A97 G102	E96-E100 WeakPolarHBondContact O-CG 3.39Å; E96-E100 PolarHBondContact O-N 3.09Å; A97-E100 PolarHBondContact O-N 2.76Å; E100-G102 PolarHBondContact O-N 2.82Å
101	A	95.5	Very high	96.4	Very high	46 Å²	46	42.3 Å²	42.3	38%	0.38	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.8	177.1	0	0	0	0	0	114.2	A97 A98 T99 F103 W189	A97-A101 WeakPolarHBondContact O-CB 3.44Å; A97-A101 PolarHBondContact O-N 2.62Å; A98-A101 PolarHBondContact O-N 2.95Å; T99-A101 VanDerWaalsContact C-N 3.29Å; T99-A101 PolarHBondContact O-N 3.4Å; A101-F103 HydrophobicContact CB-CD2 4.04Å; A101-F103 HydrophobicContact CB-CE2 4.48Å; A101-W189 HydrophobicContact CB-CD2 4.31Å; A101-W189 VanDerWaalsContact CB-CE2 3.43Å; A101-W189 HydrophobicContact CB-CZ2 3.63Å
102	G	96.6	Very high	96.2	Very high	47 Å²	47	46.1 Å²	46.1	49%	0.485	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	17.3	-178.1	0	0	0	0	0	114.7	A98 T99 E100 P104	A98-G102 PolarHBondContact O-N 2.87Å; T99-G102 PolarHBondContact O-N 3.27Å; T99-G102 VanDerWaalsContact O-N 3.12Å; E100-G102 PolarHBondContact O-N 2.82Å; G102-P104 VanDerWaalsContact C-CD 3.46Å
103	F	96.3	Very high	96.1	Very high	43 Å²	43	44.9 Å²	44.9	19%	0.189	25%	0.25	C	S	.	.			trans	-123.6	63.9	176.2	-53.6	-68	0	0	0	111.8	A98 A101 L105 D165 P185 G186 W189	A98-F103 CarbonylContact C-O 3.13Å; A98-F103 VanDerWaalsContact CB-O 3.31Å; A98-F103 WeakPolarHBondContact CB-O 3.5Å; A98-F103 CarbonylContact O-C 3.56Å; A98-F103 VanDerWaalsContact O-C 3.31Å; A98-F103 WeakPolarHBondContact O-CA 3.49Å; A98-F103 PolarHBondContact O-N 3.18Å; A101-F103 HydrophobicContact CB-CD2 4.04Å; A101-F103 HydrophobicContact CB-CE2 4.48Å; F103-L105 WeakPolarHBondContact O-CD2 3.43Å; F103-L105 PolarHBondContact O-N 3.04Å; F103-D165 HydrophobicContact CB-CB 4.28Å; F103-P185 HydrophobicContact CE1-CB 3.82Å; F103-P185 HydrophobicContact CZ-CB 4.13Å; F103-G186 VanDerWaalsContact CD1-CA 3.42Å; F103-W189 HydrophobicContact CD2-CB 3.58Å; F103-W189 AromaticContact CD2-CD1 3.63Å; F103-W189 AromaticContact CD2-CD2 3.85Å; F103-W189 HydrophobicContact CD2-CD2 3.85Å; F103-W189 AromaticContact CD2-CG 3.37Å; F103-W189 HydrophobicContact CD2-CG 3.37Å; F103-W189 HydrophobicContact CE2-CB 3.61Å; F103-W189 AromaticContact CE2-CD1 3.48Å; F103-W189 VanDerWaalsContact CE2-CD1 3.48Å; F103-W189 HydrophobicContact CE2-CD2 4.45Å; F103-W189 AromaticContact CE2-CG 3.55Å; F103-W189 HydrophobicContact CE2-CG 3.55Å; F103-W189 HydrophobicContact CG-CB 4.29Å; F103-W189 HydrophobicContact CG-CG 4.37Å; F103-W189 HydrophobicContact CZ-CB 4.33Å
104	P	97.3	Very high	96	Very high	52 Å²	52	42.9 Å²	42.9	34%	0.338	24%	0.243	S	C	.	.			trans	-53.3	132.2	177.4	-20.8	31.4	0	0	0	111.1	T99 G102 D165 Q166	T99-P104 HydrophobicContact CG2-CG 4.44Å; G102-P104 VanDerWaalsContact C-CD 3.46Å; P104-D165 CarbonylContact O-C 3.57Å; P104-D165 WeakPolarHBondContact O-CA 3.48Å; P104-Q166 HydrophobicContact CB-CB 4.23Å; P104-Q166 WeakPolarHBondContact O-CB 3.38Å; P104-Q166 PolarHBondContact O-N 3.12Å
105	L	97.1	Very high	95.9	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.7	-172.9	-59.9	-175.6	0	0	0	112.3	F94 A98 F103 V163 I190	F94-L105 HydrophobicContact CD1-CD1 3.82Å; F94-L105 HydrophobicContact CE1-CD1 3.48Å; F94-L105 VanDerWaalsContact CE1-CD1 3.48Å; F94-L105 HydrophobicContact CZ-CD1 3.93Å; A98-L105 HydrophobicContact CB-CD1 3.81Å; A98-L105 HydrophobicContact CB-CD2 3.82Å; A98-L105 HydrophobicContact CB-CG 3.54Å; F103-L105 WeakPolarHBondContact O-CD2 3.43Å; F103-L105 PolarHBondContact O-N 3.04Å; L105-V163 HydrophobicContact CB-CG2 3.65Å; L105-V163 HydrophobicContact CD1-CG2 3.97Å; L105-V163 HydrophobicContact CD2-CG2 4.08Å; L105-V163 HydrophobicContact CG-CG2 4.09Å; L105-I190 HydrophobicContact CD2-CD1 3.81Å; L105-I190 HydrophobicContact CD2-CG1 4.03Å
106	V	96.7	Very high	95.5	Very high	20 Å²	20	49.4 Å²	49.4	12%	0.121	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.2	173.1	-176.7	0	0	0	0	108.5	I108 V164 Q166 Y169	V106-I108 HydrophobicContact CG1-CD1 3.99Å; V106-V164 HydrophobicContact CB-CG2 4.23Å; V106-V164 PolarHBondContact N-O 3.22Å; V106-V164 PolarHBondContact O-N 2.85Å; V106-V164 VanDerWaalsContact O-N 3.12Å; V106-Q166 HydrophobicContact CG2-CB 4.14Å; V106-Q166 VanDerWaalsContact CG2-OE1 3.28Å; V106-Y169 HydrophobicContact CB-CG 4.38Å; V106-Y169 HydrophobicContact CG1-CD1 4.38Å; V106-Y169 HydrophobicContact CG1-CD2 3.87Å; V106-Y169 HydrophobicContact CG1-CE2 4.12Å; V106-Y169 HydrophobicContact CG1-CG 4Å; V106-Y169 HydrophobicContact CG2-CD1 4.45Å; V106-Y169 HydrophobicContact CG2-CG 4.24Å
107	V	97.3	Very high	95.3	Very high	17 Å²	17	44 Å²	44	10%	0.103	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.7	173	-176.1	0	0	0	0	109.2	L76 H81 Y91 A110 I161	L76-V107 HydrophobicContact CD1-CG2 4.25Å; H81-V107 HydrophobicContact CB-CG1 3.89Å; H81-V107 PolarHBondContact CE1-O 3.29Å; H81-V107 VanDerWaalsContact CG-CG1 3.41Å; H81-V107 WeakPolarHBondContact ND1-CG1 3.16Å; Y91-V107 HydrophobicContact CE1-CG2 4.08Å; Y91-V107 WeakPolarHBondContact OH-CG2 3.47Å; V107-A110 HydrophobicContact CG1-CB 4.38Å; V107-I161 HydrophobicContact CG1-CG2 3.86Å; V107-I161 HydrophobicContact CG2-CG2 4.33Å
108	I	95.1	Very high	95.2	Very high	46 Å²	46	47.9 Å²	47.9	24%	0.236	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-38.6	176.9	-53.6	-55.9	0	0	0	111.1	V106 D162 V164 Y169 V176 L177	V106-I108 HydrophobicContact CG1-CD1 3.99Å; I108-D162 HydrophobicContact CB-CB 4.12Å; I108-D162 PolarHBondContact N-O 3.33Å; I108-V164 HydrophobicContact CD1-CG2 3.93Å; I108-V164 HydrophobicContact CG1-CG1 4.5Å; I108-V164 HydrophobicContact CG1-CG2 4.03Å; I108-Y169 HydrophobicContact CD1-CD2 3.73Å; I108-Y169 HydrophobicContact CD1-CE2 3.89Å; I108-V176 HydrophobicContact CD1-CG1 3.74Å; I108-V176 HydrophobicContact CG1-CG1 3.99Å; I108-L177 HydrophobicContact CB-CD2 4.18Å; I108-L177 HydrophobicContact CG1-CD2 4.09Å; I108-L177 HydrophobicContact CG2-CD1 4.07Å; I108-L177 HydrophobicContact CG2-CD2 3.95Å; I108-L177 HydrophobicContact CG2-CG 4.14Å
109	S	94.4	Very high	94.9	Very high	22 Å²	22	54.4 Å²	54.4	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	148.9	177.3	-158.1	0	0	0	0	110.9	I161 D162	S109-I161 CarbonylContact O-C 3.17Å; S109-I161 WeakPolarHBondContact O-CA 3.24Å; S109-D162 WeakPolarHBondContact CB-OD2 3.33Å; S109-D162 PolarHBondContact N-O 2.99Å; S109-D162 PolarHBondContact O-N 3.16Å
110	A	96.7	Very high	94.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	30%	0.302	C	S	.	.			trans	-140.2	-128.2	175.9	0	0	0	0	0	108.9	H81 Q82 V83 V107 R112 H155	H81-A110 HydrophobicContact CB-CB 3.88Å; Q82-A110 VanDerWaalsContact O-CB 3.25Å; Q82-A110 WeakPolarHBondContact O-CB 3.5Å; V83-A110 HydrophobicContact CG1-CB 4.06Å; V107-A110 HydrophobicContact CG1-CB 4.38Å; A110-R112 PolarHBondContact O-N 2.51Å; A110-H155 WeakPolarHBondContact O-CB 3.16Å; A110-H155 PolarHBondContact O-ND1 2.99Å
111	F	96.7	Very high	94.4	Very high	38 Å²	38	48 Å²	48	17%	0.167	27%	0.27	C	S	.	.			trans	-56.1	135.8	178.1	174.6	-106.8	0	0	0	112.9	V68 L73 Q82 H155	V68-F111 HydrophobicContact CG1-CD2 3.47Å; V68-F111 VanDerWaalsContact CG1-CD2 3.47Å; V68-F111 HydrophobicContact CG1-CE2 3.36Å; V68-F111 HydrophobicContact CG1-CG 4.42Å; V68-F111 HydrophobicContact CG1-CZ 4.25Å; L73-F111 HydrophobicContact CD1-CD1 3.46Å; L73-F111 VanDerWaalsContact CD1-CD1 3.46Å; L73-F111 HydrophobicContact CD1-CD2 4.48Å; L73-F111 HydrophobicContact CD1-CE1 3.43Å; L73-F111 VanDerWaalsContact CD1-CE1 3.43Å; L73-F111 HydrophobicContact CD1-CE2 4.47Å; L73-F111 HydrophobicContact CD1-CG 4Å; L73-F111 HydrophobicContact CD1-CZ 3.96Å; L73-F111 HydrophobicContact CD2-CB 3.99Å; L73-F111 HydrophobicContact CD2-CD1 4.08Å; L73-F111 HydrophobicContact CD2-CD2 4.04Å; L73-F111 HydrophobicContact CD2-CG 3.75Å; L73-F111 HydrophobicContact CG-CD1 4.44Å; Q82-F111 HydrophobicContact CB-CB 4.35Å; Q82-F111 WeakPolarHBondContact O-CB 3.34Å; Q82-F111 PolarHBondContact O-N 3.06Å; F111-H155 WeakPolarHBondContact CA-O 3.39Å; F111-H155 WeakPolarHBondContact CD2-O 3.47Å
112	R	93.7	Very high	94.2	Very high	86 Å²	86	48.6 Å²	48.6	33%	0.325	27%	0.266	S	S	.	.			trans	-136.9	124.5	171.3	-66.4	-179.4	-81	172.8	-9.5	107.8	A110 H155 H156	A110-R112 PolarHBondContact O-N 2.51Å; R112-H155 HydrophobicContact CB-CB 4.16Å; R112-H155 HydrophobicContact CG-CB 4.34Å; R112-H155 PolarHBondContact N-O 3.39Å; R112-H155 PolarHBondContact NH2-CD2 3.4Å; R112-H155 PolarHBondContact NH2-CE1 3.13Å; R112-H155 PolarHBondContact NH2-NE2 3.33Å; R112-H156 WeakPolarHBondContact O-CA 3.5Å; R112-H156 PolarHBondContact O-ND1 3.14Å
113	S	94.5	Very high	94.1	Very high	31 Å²	31	51.2 Å²	51.2	22%	0.217	27%	0.273	C	S	.	.			trans	-69.6	153	177.1	68.4	0	0	0	0	111.3	E67 D115 S116 Q117	E67-S113 WeakPolarHBondContact OE2-CA 3.16Å; S113-D115 PolarHBondContact O-N 3.21Å; S113-S116 PolarHBondContact N-OG 2.82Å; S113-S116 VanDerWaalsContact N-OG 3.15Å; S113-S116 PolarHBondContact O-N 3.49Å; S113-S116 PolarHBondContact O-OG 2.84Å; S113-S116 VanDerWaalsContact OG-CB 3.25Å; S113-S116 WeakPolarHBondContact OG-CB 3.34Å; S113-S116 PolarHBondContact OG-N 3.01Å; S113-S116 PolarHBondContact OG-OG 3.43Å; S113-S116 VanDerWaalsContact OG-OG 3.05Å; S113-Q117 PolarHBondContact O-N 2.6Å
114	V	93.6	Very high	93.8	Very high	36 Å²	36	52 Å²	52	22%	0.218	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-39.9	174	174.5	0	0	0	0	110.9	I64 E67 Q117 K118 P150 H156	I64-V114 HydrophobicContact CG2-CG2 4.14Å; E67-V114 WeakPolarHBondContact OE2-CG2 3.41Å; E67-V114 PolarHBondContact OE2-N 3.27Å; V114-Q117 PolarHBondContact O-N 2.71Å; V114-K118 WeakPolarHBondContact O-CB 3.19Å; V114-K118 PolarHBondContact O-N 3.43Å; V114-P150 HydrophobicContact CG1-CB 4.19Å; V114-H156 HydrophobicContact CG2-CB 4.27Å; V114-H156 PolarHBondContact N-ND1 3.1Å
115	D	92.8	Very high	93.5	Very high	114 Å²	114	50 Å²	50	61%	0.61	27%	0.266	S	S	*	.	H	α-helix	trans	-64.2	-45.4	178.7	-73	-14.4	0	0	0	111.6	S113 Q117 K118 E119	S113-D115 PolarHBondContact O-N 3.21Å; D115-Q117 VanDerWaalsContact C-N 3.34Å; D115-Q117 PolarHBondContact O-N 3.07Å; D115-K118 WeakPolarHBondContact O-CB 3.44Å; D115-K118 PolarHBondContact O-N 2.86Å; D115-K118 VanDerWaalsContact O-N 3.14Å; D115-E119 PolarHBondContact O-N 3.3Å
116	S	90.2	Very high	93.3	Very high	45 Å²	45	53.3 Å²	53.3	32%	0.315	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-41.4	176.7	67.9	0	0	0	0	112.1	S113 K118 E119 V120	S113-S116 PolarHBondContact N-OG 2.82Å; S113-S116 VanDerWaalsContact N-OG 3.15Å; S113-S116 PolarHBondContact O-N 3.49Å; S113-S116 PolarHBondContact O-OG 2.84Å; S113-S116 VanDerWaalsContact OG-CB 3.25Å; S113-S116 WeakPolarHBondContact OG-CB 3.34Å; S113-S116 PolarHBondContact OG-N 3.01Å; S113-S116 PolarHBondContact OG-OG 3.43Å; S113-S116 VanDerWaalsContact OG-OG 3.05Å; S116-K118 VanDerWaalsContact C-N 3.33Å; S116-K118 PolarHBondContact O-N 3.32Å; S116-E119 PolarHBondContact O-N 3.43Å; S116-V120 PolarHBondContact O-N 3.08Å
117	Q	91.2	Very high	93.1	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-69.2	-32.2	176.4	-170.9	154.3	-8.9	0	0	112.2	S113 V114 D115 V120 F121 T148 H156	S113-Q117 PolarHBondContact O-N 2.6Å; V114-Q117 PolarHBondContact O-N 2.71Å; D115-Q117 VanDerWaalsContact C-N 3.34Å; D115-Q117 PolarHBondContact O-N 3.07Å; Q117-V120 PolarHBondContact O-N 3.35Å; Q117-F121 VanDerWaalsContact O-CB 3.28Å; Q117-F121 WeakPolarHBondContact O-CB 3.39Å; Q117-F121 PolarHBondContact O-N 3.24Å; Q117-T148 PolarHBondContact NE2-O 3.38Å; Q117-H156 PolarHBondContact OE1-CE1 3.13Å; Q117-H156 PolarHBondContact OE1-NE2 2.97Å
118	K	93.5	Very high	92.8	Very high	95 Å²	95	54.9 Å²	54.9	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-42.9	172.9	179.2	166.3	174	40.7	0	112.1	V114 D115 S116 V120 F121 D122 P150	V114-K118 WeakPolarHBondContact O-CB 3.19Å; V114-K118 PolarHBondContact O-N 3.43Å; D115-K118 WeakPolarHBondContact O-CB 3.44Å; D115-K118 PolarHBondContact O-N 2.86Å; D115-K118 VanDerWaalsContact O-N 3.14Å; S116-K118 VanDerWaalsContact C-N 3.33Å; S116-K118 PolarHBondContact O-N 3.32Å; K118-V120 VanDerWaalsContact C-N 3.34Å; K118-V120 PolarHBondContact O-N 3.08Å; K118-F121 PolarHBondContact O-N 3.43Å; K118-D122 WeakPolarHBondContact CE-OD2 3.3Å; K118-D122 IonicContact NZ-OD1 3.45Å; K118-D122 PolarHBondContact NZ-OD1 2.95Å; K118-D122 IonicContact NZ-OD2 2.69Å; K118-D122 PolarHBondContact NZ-OD2 2.98Å; K118-D122 VanDerWaalsContact O-CB 3.31Å; K118-D122 WeakPolarHBondContact O-CB 3.31Å; K118-D122 PolarHBondContact O-N 3.03Å; K118-P150 VanDerWaalsContact CA-CG 3.46Å; K118-P150 HydrophobicContact CB-CB 4.05Å; K118-P150 HydrophobicContact CB-CG 3.88Å; K118-P150 HydrophobicContact CG-CG 4.43Å
119	E	91.9	Very high	92.7	Very high	137 Å²	137	55.5 Å²	55.5	64%	0.64	30%	0.304	S	S	*	.	H	α-helix	trans	-59.9	-44.8	175.7	-71.1	179.9	176	0	0	111.8	D115 S116 T123	D115-E119 PolarHBondContact O-N 3.3Å; S116-E119 PolarHBondContact O-N 3.43Å; E119-T123 VanDerWaalsContact O-CB 3.25Å; E119-T123 WeakPolarHBondContact O-CB 3.19Å; E119-T123 PolarHBondContact O-N 3.49Å; E119-T123 PolarHBondContact O-OG1 3.45Å
120	V	88.7	Confident	92.6	Very high	86 Å²	86	59.5 Å²	59.5	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-44.4	176.8	173.8	0	0	0	0	111.4	S116 Q117 K118 T123 N124 I147	S116-V120 PolarHBondContact O-N 3.08Å; Q117-V120 PolarHBondContact O-N 3.35Å; K118-V120 VanDerWaalsContact C-N 3.34Å; K118-V120 PolarHBondContact O-N 3.08Å; V120-T123 PolarHBondContact O-N 3.24Å; V120-N124 PolarHBondContact O-N 3Å; V120-N124 VanDerWaalsContact O-N 3.08Å; V120-I147 HydrophobicContact CG1-CD1 4.28Å
121	F	92	Very high	92.1	Very high	14 Å²	14	62.4 Å²	62.4	6%	0.061	36%	0.362	C	S	.	.	H	α-helix	trans	-63.3	-51.2	179.5	-168.6	-84.8	0	0	0	111.5	Q117 K118 T123 N124 V125 I140 T143 K144 I147 E149 P150	Q117-F121 VanDerWaalsContact O-CB 3.28Å; Q117-F121 WeakPolarHBondContact O-CB 3.39Å; Q117-F121 PolarHBondContact O-N 3.24Å; K118-F121 PolarHBondContact O-N 3.43Å; F121-T123 VanDerWaalsContact C-N 3.28Å; F121-T123 PolarHBondContact O-N 2.86Å; F121-N124 PolarHBondContact O-N 3.47Å; F121-N124 VanDerWaalsContact O-N 3.16Å; F121-V125 HydrophobicContact CD1-CG2 3.88Å; F121-V125 HydrophobicContact CE1-CG2 3.63Å; F121-V125 HydrophobicContact CZ-CG2 4.35Å; F121-V125 WeakPolarHBondContact O-CG2 3.28Å; F121-V125 PolarHBondContact O-N 3.47Å; F121-I140 HydrophobicContact CE1-CG1 4.5Å; F121-I140 HydrophobicContact CZ-CG2 4.32Å; F121-T143 HydrophobicContact CD2-CG2 3.7Å; F121-T143 HydrophobicContact CE1-CG2 4.42Å; F121-T143 HydrophobicContact CE2-CG2 3.57Å; F121-T143 HydrophobicContact CG-CG2 4.19Å; F121-T143 HydrophobicContact CZ-CG2 3.95Å; F121-K144 HydrophobicContact CE2-CG 4.13Å; F121-K144 HydrophobicContact CZ-CG 4.13Å; F121-I147 HydrophobicContact CD2-CG2 4Å; F121-E149 HydrophobicContact CE2-CB 4.32Å; F121-P150 HydrophobicContact CB-CG 3.87Å; F121-P150 HydrophobicContact CG-CG 4.15Å
122	D	93.1	Very high	91.4	Very high	58 Å²	58	66 Å²	66	31%	0.31	38%	0.382	S	S	.	.	H	α-helix	trans	-62.3	-37.3	179.4	-68.5	-8.1	0	0	0	111	K118 V125 N126	K118-D122 WeakPolarHBondContact CE-OD2 3.3Å; K118-D122 IonicContact NZ-OD1 3.45Å; K118-D122 PolarHBondContact NZ-OD1 2.95Å; K118-D122 IonicContact NZ-OD2 2.69Å; K118-D122 PolarHBondContact NZ-OD2 2.98Å; K118-D122 VanDerWaalsContact O-CB 3.31Å; K118-D122 WeakPolarHBondContact O-CB 3.31Å; K118-D122 PolarHBondContact O-N 3.03Å; D122-V125 PolarHBondContact O-N 2.82Å; D122-N126 VanDerWaalsContact O-CB 3.24Å; D122-N126 WeakPolarHBondContact O-CB 3.23Å; D122-N126 PolarHBondContact O-N 3.34Å; D122-N126 PolarHBondContact O-ND2 2.93Å
123	T	92.7	Very high	91.1	Very high	101 Å²	101	65.1 Å²	65.1	62%	0.62	40%	0.4	S	S	*	.	H	α-helix	trans	-62.3	-43.3	175.5	-62.4	0	0	0	0	111.5	E119 V120 F121 G127	E119-T123 VanDerWaalsContact O-CB 3.25Å; E119-T123 WeakPolarHBondContact O-CB 3.19Å; E119-T123 PolarHBondContact O-N 3.49Å; E119-T123 PolarHBondContact O-OG1 3.45Å; V120-T123 PolarHBondContact O-N 3.24Å; F121-T123 VanDerWaalsContact C-N 3.28Å; F121-T123 PolarHBondContact O-N 2.86Å; T123-G127 PolarHBondContact O-N 3.38Å
124	N	90.3	Very high	90.8	Very high	60 Å²	60	66.5 Å²	66.5	32%	0.321	40%	0.404	S	S	.	.	H	α-helix	trans	-67.2	-45.4	178.5	-161.2	-91.7	0	0	0	111.8	V120 F121 N126 G127 L128 T143 I147	V120-N124 PolarHBondContact O-N 3Å; V120-N124 VanDerWaalsContact O-N 3.08Å; F121-N124 PolarHBondContact O-N 3.47Å; F121-N124 VanDerWaalsContact O-N 3.16Å; N124-N126 PolarHBondContact O-N 3.28Å; N124-G127 PolarHBondContact O-N 3.5Å; N124-L128 WeakPolarHBondContact O-CG 3.36Å; N124-L128 PolarHBondContact O-N 3.24Å; N124-T143 HydrophobicContact CB-CG2 3.95Å; N124-T143 PolarHBondContact OD1-OG1 3.44Å; N124-I147 HydrophobicContact CB-CD1 3.74Å
125	V	91.9	Very high	90.9	Very high	10 Å²	10	67.3 Å²	67.3	6%	0.061	41%	0.412	C	S	.	.	H	α-helix	trans	-58.5	-50.5	175.9	171	0	0	0	0	110.7	F121 D122 G127 L128 I129 A139 I140 T143	F121-V125 HydrophobicContact CD1-CG2 3.88Å; F121-V125 HydrophobicContact CE1-CG2 3.63Å; F121-V125 HydrophobicContact CZ-CG2 4.35Å; F121-V125 WeakPolarHBondContact O-CG2 3.28Å; F121-V125 PolarHBondContact O-N 3.47Å; D122-V125 PolarHBondContact O-N 2.82Å; V125-G127 VanDerWaalsContact C-N 3.26Å; V125-G127 PolarHBondContact O-N 3.22Å; V125-L128 PolarHBondContact O-N 3.33Å; V125-L128 VanDerWaalsContact O-N 3.16Å; V125-I129 HydrophobicContact CG1-CD1 3.73Å; V125-I129 HydrophobicContact CG1-CG1 4.44Å; V125-I129 WeakPolarHBondContact O-CG1 3.29Å; V125-I129 PolarHBondContact O-N 3.37Å; V125-A139 HydrophobicContact CG1-CB 4.08Å; V125-I140 HydrophobicContact CG1-CG1 4.25Å; V125-I140 HydrophobicContact CG2-CG1 4.08Å; V125-T143 HydrophobicContact CG2-CG2 4.19Å; V125-T143 WeakPolarHBondContact CG2-OG1 3.5Å
126	N	93.6	Very high	90.9	Very high	92 Å²	92	68.5 Å²	68.5	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-34.2	178.6	-73.9	-38.8	0	0	0	112.3	D122 N124 S130	D122-N126 VanDerWaalsContact O-CB 3.24Å; D122-N126 WeakPolarHBondContact O-CB 3.23Å; D122-N126 PolarHBondContact O-N 3.34Å; D122-N126 PolarHBondContact O-ND2 2.93Å; N124-N126 PolarHBondContact O-N 3.28Å; N126-S130 VanDerWaalsContact O-CB 3.23Å; N126-S130 WeakPolarHBondContact O-CB 3.47Å; N126-S130 PolarHBondContact O-N 2.86Å; N126-S130 PolarHBondContact O-OG 3.23Å
127	G	92.3	Very high	91	Very high	41 Å²	41	74 Å²	74	42%	0.423	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-44.8	173.1	0	0	0	0	0	112.8	T123 N124 V125 G131	T123-G127 PolarHBondContact O-N 3.38Å; N124-G127 PolarHBondContact O-N 3.5Å; V125-G127 VanDerWaalsContact C-N 3.26Å; V125-G127 PolarHBondContact O-N 3.22Å; G127-G131 WeakPolarHBondContact O-CA 3.48Å; G127-G131 PolarHBondContact O-N 2.9Å
128	L	90.5	Very high	91	Very high	29 Å²	29	77.9 Å²	77.9	15%	0.152	46%	0.455	C	S	.	.	H	α-helix	trans	-68.6	-38.9	177.3	-70.5	169.8	0	0	0	112.5	N124 V125 N132 G133 M134 A139 K142	N124-L128 WeakPolarHBondContact O-CG 3.36Å; N124-L128 PolarHBondContact O-N 3.24Å; V125-L128 PolarHBondContact O-N 3.33Å; V125-L128 VanDerWaalsContact O-N 3.16Å; L128-N132 WeakPolarHBondContact O-CA 3.5Å; L128-N132 WeakPolarHBondContact O-CB 3.16Å; L128-N132 PolarHBondContact O-N 3.32Å; L128-G133 PolarHBondContact O-N 2.87Å; L128-M134 HydrophobicContact CB-SD 4.2Å; L128-M134 HydrophobicContact CD2-SD 4.22Å; L128-A139 HydrophobicContact CB-CB 3.87Å; L128-A139 HydrophobicContact CD1-CB 4.42Å; L128-K142 HydrophobicContact CD1-CB 3.93Å; L128-K142 HydrophobicContact CD1-CG 3.98Å; L128-K142 HydrophobicContact CD2-CG 4.45Å
129	I	93	Very high	91	Very high	58 Å²	58	73.3 Å²	73.3	30%	0.297	44%	0.436	S	S	.	.	H	α-helix	trans	-63.7	-50.4	174.9	-66.3	168.6	0	0	0	110	V125 G133 E136 A139	V125-I129 HydrophobicContact CG1-CD1 3.73Å; V125-I129 HydrophobicContact CG1-CG1 4.44Å; V125-I129 WeakPolarHBondContact O-CG1 3.29Å; V125-I129 PolarHBondContact O-N 3.37Å; I129-G133 WeakPolarHBondContact O-CA 3.39Å; I129-G133 PolarHBondContact O-N 3.49Å; I129-E136 HydrophobicContact CD1-CB 4.32Å; I129-E136 HydrophobicContact CD1-CG 4.46Å; I129-A139 HydrophobicContact CD1-CB 4.4Å; I129-A139 HydrophobicContact CG1-CB 3.75Å
130	S	91.7	Very high	91	Very high	106 Å²	106	69.3 Å²	69.3	74%	0.741	42%	0.418	S	S	*	.	H	α-helix	trans	-74.6	-32	-174.9	-53.5	0	0	0	0	113.2	N126	N126-S130 VanDerWaalsContact O-CB 3.23Å; N126-S130 WeakPolarHBondContact O-CB 3.47Å; N126-S130 PolarHBondContact O-N 2.86Å; N126-S130 PolarHBondContact O-OG 3.23Å
131	G	86	Confident	90.9	Very high	62 Å²	62	67.9 Å²	67.9	64%	0.639	42%	0.415	S	S	*	.	H	α-helix	trans	-94.2	-34.6	-174.4	0	0	0	0	0	114.7	G127	G127-G131 WeakPolarHBondContact O-CA 3.48Å; G127-G131 PolarHBondContact O-N 2.9Å
132	N	82.9	Confident	90.7	Very high	113 Å²	113	71.5 Å²	71.5	60%	0.604	43%	0.431	S	S	*	.	H	α-helix	trans	-115.2	-5.3	-173.3	-64.2	73.6	0	0	0	113.3	L128 M134	L128-N132 WeakPolarHBondContact O-CA 3.5Å; L128-N132 WeakPolarHBondContact O-CB 3.16Å; L128-N132 PolarHBondContact O-N 3.32Å; N132-M134 HydrophobicContact CB-CG 4.07Å; N132-M134 HydrophobicContact CB-SD 4.48Å; N132-M134 PolarHBondContact O-N 3.09Å
133	G	85.8	Confident	90.4	Very high	68 Å²	68	68.8 Å²	68.8	70%	0.701	42%	0.416	S	S	*	.			trans	65.3	22.9	-177.5	0	0	0	0	0	113.4	L128 I129	L128-G133 PolarHBondContact O-N 2.87Å; I129-G133 WeakPolarHBondContact O-CA 3.39Å; I129-G133 PolarHBondContact O-N 3.49Å
134	M	90.1	Very high	90.1	Very high	60 Å²	60	68.7 Å²	68.7	30%	0.296	41%	0.408	S	S	.	.			trans	-66.2	148.4	177.3	-75.5	-178.8	172.4	0	0	110.7	L128 N132 D138 A139 K142	L128-M134 HydrophobicContact CB-SD 4.2Å; L128-M134 HydrophobicContact CD2-SD 4.22Å; N132-M134 HydrophobicContact CB-CG 4.07Å; N132-M134 HydrophobicContact CB-SD 4.48Å; N132-M134 PolarHBondContact O-N 3.09Å; M134-D138 HydrophobicContact CB-CB 4.19Å; M134-D138 HydrophobicContact CG-CB 4.43Å; M134-A139 HydrophobicContact CB-CB 4.19Å; M134-K142 HydrophobicContact CE-CG 4.47Å; M134-K142 HydrophobicContact SD-CB 4.38Å; M134-K142 HydrophobicContact SD-CG 4.5Å
135	S	93.7	Very high	89.5	Confident	54 Å²	54	72 Å²	72	38%	0.378	42%	0.421	S	S	.	.			trans	-62.7	155.8	165.3	73.8	0	0	0	0	109.6	E137 D138 A139	S135-E137 PolarHBondContact O-N 2.96Å; S135-D138 PolarHBondContact O-N 2.97Å; S135-D138 WeakPolarHBondContact OG-CB 3.21Å; S135-D138 PolarHBondContact OG-N 3.41Å; S135-D138 VanDerWaalsContact OG-N 3.07Å; S135-D138 PolarHBondContact OG-OD2 2.64Å; S135-A139 WeakPolarHBondContact O-CB 3.48Å; S135-A139 PolarHBondContact O-N 3.12Å
136	E	92.8	Very high	88.6	Confident	138 Å²	138	77 Å²	77	65%	0.645	45%	0.452	S	S	*	.	H	α-helix	trans	-55.5	-38.8	175.3	-176.7	177	-174.8	0	0	111.3	I129 A139 I140	I129-E136 HydrophobicContact CD1-CB 4.32Å; I129-E136 HydrophobicContact CD1-CG 4.46Å; E136-A139 PolarHBondContact O-N 3.34Å; E136-I140 HydrophobicContact CG-CD1 3.88Å; E136-I140 WeakPolarHBondContact O-CB 3.28Å; E136-I140 WeakPolarHBondContact O-CD1 3.49Å; E136-I140 WeakPolarHBondContact O-CG1 3.42Å; E136-I140 PolarHBondContact O-N 2.86Å
137	E	92.7	Very high	88.1	Confident	160 Å²	160	74.2 Å²	74.2	75%	0.748	44%	0.437	S	S	*	.	H	α-helix	trans	-64	-46	177.6	-168.2	172	-174.2	0	0	112.2	S135 I140 A141	S135-E137 PolarHBondContact O-N 2.96Å; E137-I140 PolarHBondContact O-N 2.95Å; E137-A141 WeakPolarHBondContact O-CB 3.33Å; E137-A141 PolarHBondContact O-N 2.88Å
138	D	92.2	Very high	87.8	Confident	93 Å²	93	75.5 Å²	75.5	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-67.4	-39.4	176.9	-64.3	-44.9	0	0	0	111.8	M134 S135 A141 K142	M134-D138 HydrophobicContact CB-CB 4.19Å; M134-D138 HydrophobicContact CG-CB 4.43Å; S135-D138 PolarHBondContact O-N 2.97Å; S135-D138 WeakPolarHBondContact OG-CB 3.21Å; S135-D138 PolarHBondContact OG-N 3.41Å; S135-D138 VanDerWaalsContact OG-N 3.07Å; S135-D138 PolarHBondContact OG-OD2 2.64Å; D138-A141 PolarHBondContact O-N 3Å; D138-K142 VanDerWaalsContact O-CB 3.23Å; D138-K142 WeakPolarHBondContact O-CB 3.45Å; D138-K142 PolarHBondContact O-N 3.28Å
139	A	92.7	Very high	87.8	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-64.6	-41.8	177.7	0	0	0	0	0	111.2	V125 L128 I129 M134 S135 E136 K142 T143	V125-A139 HydrophobicContact CG1-CB 4.08Å; L128-A139 HydrophobicContact CB-CB 3.87Å; L128-A139 HydrophobicContact CD1-CB 4.42Å; I129-A139 HydrophobicContact CD1-CB 4.4Å; I129-A139 HydrophobicContact CG1-CB 3.75Å; M134-A139 HydrophobicContact CB-CB 4.19Å; S135-A139 WeakPolarHBondContact O-CB 3.48Å; S135-A139 PolarHBondContact O-N 3.12Å; E136-A139 PolarHBondContact O-N 3.34Å; A139-K142 PolarHBondContact O-N 3.32Å; A139-T143 VanDerWaalsContact O-CB 3.31Å; A139-T143 WeakPolarHBondContact O-CB 3.42Å; A139-T143 PolarHBondContact O-N 3.29Å; A139-T143 PolarHBondContact O-OG1 3.35Å
140	I	91.8	Very high	87.7	Confident	52 Å²	52	75.2 Å²	75.2	27%	0.267	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-48.2	173.5	-71.9	167.6	0	0	0	110.4	F121 V125 E136 E137 K142 T143 K144	F121-I140 HydrophobicContact CE1-CG1 4.5Å; F121-I140 HydrophobicContact CZ-CG2 4.32Å; V125-I140 HydrophobicContact CG1-CG1 4.25Å; V125-I140 HydrophobicContact CG2-CG1 4.08Å; E136-I140 HydrophobicContact CG-CD1 3.88Å; E136-I140 WeakPolarHBondContact O-CB 3.28Å; E136-I140 WeakPolarHBondContact O-CD1 3.49Å; E136-I140 WeakPolarHBondContact O-CG1 3.42Å; E136-I140 PolarHBondContact O-N 2.86Å; E137-I140 PolarHBondContact O-N 2.95Å; I140-K142 VanDerWaalsContact C-N 3.29Å; I140-K142 PolarHBondContact O-N 3.41Å; I140-T143 PolarHBondContact O-N 3.18Å; I140-K144 HydrophobicContact CG2-CD 4.07Å; I140-K144 VanDerWaalsContact O-CG 3.31Å; I140-K144 WeakPolarHBondContact O-CG 3.43Å; I140-K144 PolarHBondContact O-N 3.26Å
141	A	88.2	Confident	87.8	Confident	57 Å²	57	70.2 Å²	70.2	47%	0.471	40%	0.4	S	S	.	.	H	α-helix	trans	-59.2	-42.5	178.8	0	0	0	0	0	111.6	E137 D138 K144	E137-A141 WeakPolarHBondContact O-CB 3.33Å; E137-A141 PolarHBondContact O-N 2.88Å; D138-A141 PolarHBondContact O-N 3Å; A141-K144 PolarHBondContact O-N 2.93Å
142	K	87	Confident	88.1	Confident	90 Å²	90	70 Å²	70	39%	0.391	38%	0.38	S	S	.	.	H	α-helix	trans	-68.3	-40.9	178.2	-170.5	67.6	-177.3	165.5	0	112.6	L128 M134 D138 A139 I140 K144 E145	L128-K142 HydrophobicContact CD1-CB 3.93Å; L128-K142 HydrophobicContact CD1-CG 3.98Å; L128-K142 HydrophobicContact CD2-CG 4.45Å; M134-K142 HydrophobicContact CE-CG 4.47Å; M134-K142 HydrophobicContact SD-CB 4.38Å; M134-K142 HydrophobicContact SD-CG 4.5Å; D138-K142 VanDerWaalsContact O-CB 3.23Å; D138-K142 WeakPolarHBondContact O-CB 3.45Å; D138-K142 PolarHBondContact O-N 3.28Å; A139-K142 PolarHBondContact O-N 3.32Å; I140-K142 VanDerWaalsContact C-N 3.29Å; I140-K142 PolarHBondContact O-N 3.41Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 2.94Å; K142-E145 WeakPolarHBondContact CE-OE2 3.37Å; K142-E145 IonicContact NZ-OE1 3Å; K142-E145 PolarHBondContact NZ-OE1 3.14Å; K142-E145 IonicContact NZ-OE2 2.66Å; K142-E145 PolarHBondContact NZ-OE2 3.48Å; K142-E145 WeakPolarHBondContact O-CB 3.31Å; K142-E145 PolarHBondContact O-N 3.5Å
143	T	87.4	Confident	88.7	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-40.3	176.2	-58.9	0	0	0	0	110.8	F121 N124 V125 A139 I140 E145 T146 I147	F121-T143 HydrophobicContact CD2-CG2 3.7Å; F121-T143 HydrophobicContact CE1-CG2 4.42Å; F121-T143 HydrophobicContact CE2-CG2 3.57Å; F121-T143 HydrophobicContact CG-CG2 4.19Å; F121-T143 HydrophobicContact CZ-CG2 3.95Å; N124-T143 HydrophobicContact CB-CG2 3.95Å; N124-T143 PolarHBondContact OD1-OG1 3.44Å; V125-T143 HydrophobicContact CG2-CG2 4.19Å; V125-T143 WeakPolarHBondContact CG2-OG1 3.5Å; A139-T143 VanDerWaalsContact O-CB 3.31Å; A139-T143 WeakPolarHBondContact O-CB 3.42Å; A139-T143 PolarHBondContact O-N 3.29Å; A139-T143 PolarHBondContact O-OG1 3.35Å; I140-T143 PolarHBondContact O-N 3.18Å; T143-E145 PolarHBondContact O-N 2.88Å; T143-E145 VanDerWaalsContact O-N 3.17Å; T143-T146 PolarHBondContact O-N 3.11Å; T143-T146 VanDerWaalsContact O-N 3.16Å; T143-I147 HydrophobicContact CG2-CB 3.97Å; T143-I147 HydrophobicContact CG2-CD1 4.11Å; T143-I147 HydrophobicContact CG2-CG1 4.35Å; T143-I147 PolarHBondContact O-N 3.42Å
144	K	85.8	Confident	89.1	Confident	100 Å²	100	61.8 Å²	61.8	44%	0.435	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.4	177.8	-73.6	176.1	174.8	-166.8	0	114.5	F121 I140 A141 K142 T146 E149	F121-K144 HydrophobicContact CE2-CG 4.13Å; F121-K144 HydrophobicContact CZ-CG 4.13Å; I140-K144 HydrophobicContact CG2-CD 4.07Å; I140-K144 VanDerWaalsContact O-CG 3.31Å; I140-K144 WeakPolarHBondContact O-CG 3.43Å; I140-K144 PolarHBondContact O-N 3.26Å; A141-K144 PolarHBondContact O-N 2.93Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 2.94Å; K144-T146 VanDerWaalsContact C-N 3.29Å; K144-E149 WeakPolarHBondContact CE-OE2 3.44Å; K144-E149 IonicContact NZ-OE2 3.42Å; K144-E149 PolarHBondContact NZ-OE2 2.81Å
145	E	77.1	Confident	89.3	Confident	128 Å²	128	59.1 Å²	59.1	60%	0.598	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.8	173.5	-63.8	179	-171.5	0	0	112.5	K142 T143	K142-E145 WeakPolarHBondContact CE-OE2 3.37Å; K142-E145 IonicContact NZ-OE1 3Å; K142-E145 PolarHBondContact NZ-OE1 3.14Å; K142-E145 IonicContact NZ-OE2 2.66Å; K142-E145 PolarHBondContact NZ-OE2 3.48Å; K142-E145 WeakPolarHBondContact O-CB 3.31Å; K142-E145 PolarHBondContact O-N 3.5Å; T143-E145 PolarHBondContact O-N 2.88Å; T143-E145 VanDerWaalsContact O-N 3.17Å
146	T	73.9	Confident	89.4	Confident	117 Å²	117	56.5 Å²	56.5	72%	0.718	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	-18.5	-174.3	58.3	0	0	0	0	114.2	T143 K144	T143-T146 PolarHBondContact O-N 3.11Å; T143-T146 VanDerWaalsContact O-N 3.16Å; K144-T146 VanDerWaalsContact C-N 3.29Å
147	I	82.9	Confident	89.5	Confident	33 Å²	33	50.4 Å²	50.4	17%	0.169	26%	0.261	C	S	.	.	S	Bend	trans	-123.1	123	-178.4	-54.5	-177.1	0	0	0	109.4	V120 F121 N124 T143 E149	V120-I147 HydrophobicContact CG1-CD1 4.28Å; F121-I147 HydrophobicContact CD2-CG2 4Å; N124-I147 HydrophobicContact CB-CD1 3.74Å; T143-I147 HydrophobicContact CG2-CB 3.97Å; T143-I147 HydrophobicContact CG2-CD1 4.11Å; T143-I147 HydrophobicContact CG2-CG1 4.35Å; T143-I147 PolarHBondContact O-N 3.42Å; I147-E149 PolarHBondContact O-N 2.94Å
148	T	86.2	Confident	89.7	Confident	68 Å²	68	42.8 Å²	42.8	42%	0.417	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-64.7	134.2	174.9	-62.4	0	0	0	0	110.3	Q117	Q117-T148 PolarHBondContact NE2-O 3.38Å
149	E	89.4	Confident	89.9	Confident	65 Å²	65	38.4 Å²	38.4	30%	0.304	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-60.6	141.5	178.6	-175.4	178.1	167.6	0	0	111.5	F121 K144 I147 G151 Y152	F121-E149 HydrophobicContact CE2-CB 4.32Å; K144-E149 WeakPolarHBondContact CE-OE2 3.44Å; K144-E149 IonicContact NZ-OE2 3.42Å; K144-E149 PolarHBondContact NZ-OE2 2.81Å; I147-E149 PolarHBondContact O-N 2.94Å; E149-G151 PolarHBondContact O-N 2.89Å; E149-Y152 HydrophobicContact CB-CD2 3.7Å; E149-Y152 HydrophobicContact CB-CE2 4.26Å; E149-Y152 HydrophobicContact CG-CD2 3.82Å; E149-Y152 HydrophobicContact CG-CE2 3.95Å; E149-Y152 WeakPolarHBondContact O-CB 3.44Å; E149-Y152 PolarHBondContact O-N 2.99Å
150	P	92.2	Very high	90.1	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.104	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	128.2	179.9	-26.3	34.6	0	0	0	112.8	V114 K118 F121	V114-P150 HydrophobicContact CG1-CB 4.19Å; K118-P150 VanDerWaalsContact CA-CG 3.46Å; K118-P150 HydrophobicContact CB-CB 4.05Å; K118-P150 HydrophobicContact CB-CG 3.88Å; K118-P150 HydrophobicContact CG-CG 4.43Å; F121-P150 HydrophobicContact CB-CG 3.87Å; F121-P150 HydrophobicContact CG-CG 4.15Å
151	G	93.4	Very high	90.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-2.1	-176.5	0	0	0	0	0	114.8	K63 I64 E149 H156	K63-G151 CarbonylContact C-O 3.49Å; K63-G151 WeakPolarHBondContact CA-O 3.25Å; K63-G151 WeakPolarHBondContact CG-O 3.38Å; I64-G151 WeakPolarHBondContact CG2-O 3.41Å; I64-G151 PolarHBondContact N-O 3Å; E149-G151 PolarHBondContact O-N 2.89Å; G151-H156 VanDerWaalsContact CA-CD2 3.5Å; G151-H156 WeakPolarHBondContact CA-CD2 3.34Å; G151-H156 PolarHBondContact N-NE2 3.02Å
152	Y	92.9	Very high	90.8	Very high	57 Å²	57	33.6 Å²	33.6	22%	0.224	17%	0.169	C	C	.	.			trans	-108.9	6.5	178.6	-65.7	-86.9	0	0	0	113.9	G59 K63 E149	G59-Y152 WeakPolarHBondContact CA-O 3.4Å; G59-Y152 VanDerWaalsContact O-CD1 3.3Å; G59-Y152 WeakPolarHBondContact O-CD1 3.49Å; K63-Y152 HydrophobicContact CB-CD1 4.09Å; K63-Y152 HydrophobicContact CB-CE1 3.63Å; K63-Y152 HydrophobicContact CB-CE2 4.34Å; K63-Y152 HydrophobicContact CD-CE2 4.14Å; K63-Y152 HydrophobicContact CG-CD2 4.44Å; K63-Y152 HydrophobicContact CG-CE1 4.29Å; K63-Y152 HydrophobicContact CG-CE2 4.14Å; E149-Y152 HydrophobicContact CB-CD2 3.7Å; E149-Y152 HydrophobicContact CB-CE2 4.26Å; E149-Y152 HydrophobicContact CG-CD2 3.82Å; E149-Y152 HydrophobicContact CG-CE2 3.95Å; E149-Y152 WeakPolarHBondContact O-CB 3.44Å; E149-Y152 PolarHBondContact O-N 2.99Å
153	S	93.7	Very high	91.3	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	15%	0.151	C	C	.	.			trans	-94.3	135.6	176.5	-178.6	0	0	0	0	112.1	V58 H155 H156	V58-S153 WeakPolarHBondContact CG1-O 3.4Å; S153-H155 PolarHBondContact O-N 3.09Å; S153-H155 WeakPolarHBondContact OG-CB 3.33Å; S153-H155 PolarHBondContact OG-CD2 3.36Å; S153-H155 PolarHBondContact OG-N 3.18Å; S153-H156 PolarHBondContact O-CD2 3.38Å; S153-H156 PolarHBondContact O-N 3.16Å
154	E	94.6	Very high	91.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22	171.8	-67.8	-165	141.5	0	0	112.5	V58 H156 T157 A160 R202 H219 R221	V58-E154 HydrophobicContact CB-CG 4.25Å; E154-H156 PolarHBondContact O-N 3.39Å; E154-T157 WeakPolarHBondContact O-CB 3.32Å; E154-T157 WeakPolarHBondContact O-CG2 3.43Å; E154-T157 PolarHBondContact O-N 2.68Å; E154-T157 PolarHBondContact O-OG1 3.16Å; E154-A160 HydrophobicContact CB-CB 3.76Å; E154-R202 IonicContact OE1-CZ 2.79Å; E154-R202 IonicContact OE1-NE 3.23Å; E154-R202 PolarHBondContact OE1-NE 3.44Å; E154-R202 IonicContact OE1-NH2 3.4Å; E154-R202 WeakPolarHBondContact OE2-CG 3.44Å; E154-R202 IonicContact OE2-NE 3.94Å; E154-H219 IonicContact OE2-CD2 2.69Å; E154-H219 IonicContact OE2-CE1 3.24Å; E154-H219 IonicContact OE2-NE2 2.66Å; E154-H219 PolarHBondContact OE2-NE2 3.23Å; E154-R221 IonicContact OE1-CZ 3.44Å; E154-R221 IonicContact OE1-NH1 3.11Å; E154-R221 PolarHBondContact OE1-NH1 3.24Å
155	H	95.6	Very high	92.3	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.014	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-62.8	-24.3	178.7	-68.4	-105.6	0	0	0	113.2	A110 F111 R112 S153 T157 G158 D162 H219	A110-H155 WeakPolarHBondContact O-CB 3.16Å; A110-H155 PolarHBondContact O-ND1 2.99Å; F111-H155 WeakPolarHBondContact CA-O 3.39Å; F111-H155 WeakPolarHBondContact CD2-O 3.47Å; R112-H155 HydrophobicContact CB-CB 4.16Å; R112-H155 HydrophobicContact CG-CB 4.34Å; R112-H155 PolarHBondContact N-O 3.39Å; R112-H155 PolarHBondContact NH2-CD2 3.4Å; R112-H155 PolarHBondContact NH2-CE1 3.13Å; R112-H155 PolarHBondContact NH2-NE2 3.33Å; S153-H155 PolarHBondContact O-N 3.09Å; S153-H155 WeakPolarHBondContact OG-CB 3.33Å; S153-H155 PolarHBondContact OG-CD2 3.36Å; S153-H155 PolarHBondContact OG-N 3.18Å; H155-T157 PolarHBondContact O-N 2.89Å; H155-G158 PolarHBondContact O-N 3Å; H155-D162 IonicContact CE1-OD1 3.88Å; H155-D162 IonicContact CE1-OD2 3.8Å; H155-D162 PolarHBondContact CE1-OD2 3.19Å; H155-D162 VanDerWaalsContact CE1-OD2 3.24Å; H155-D162 IonicContact NE2-OD1 3.5Å; H155-D162 IonicContact NE2-OD2 3.19Å; H155-H219 AromaticContact CD2-CE1 3.91Å; H155-H219 AromaticContact NE2-CE1 3.54Å; H155-H219 AromaticContact NE2-ND1 3.68Å
156	H	95.7	Very high	93.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.7	-19.7	173.3	-58.5	-43.2	0	0	0	113.2	I64 E67 V68 R112 V114 Q117 G151 S153 E154	I64-H156 HydrophobicContact CD1-CB 3.57Å; I64-H156 HydrophobicContact CG2-CB 4.33Å; E67-H156 WeakPolarHBondContact CA-O 3.21Å; E67-H156 HydrophobicContact CB-CB 4.36Å; E67-H156 WeakPolarHBondContact CB-O 3.35Å; V68-H156 PolarHBondContact N-O 3.49Å; V68-H156 VanDerWaalsContact N-O 3.17Å; R112-H156 WeakPolarHBondContact O-CA 3.5Å; R112-H156 PolarHBondContact O-ND1 3.14Å; V114-H156 HydrophobicContact CG2-CB 4.27Å; V114-H156 PolarHBondContact N-ND1 3.1Å; Q117-H156 PolarHBondContact OE1-CE1 3.13Å; Q117-H156 PolarHBondContact OE1-NE2 2.97Å; G151-H156 VanDerWaalsContact CA-CD2 3.5Å; G151-H156 WeakPolarHBondContact CA-CD2 3.34Å; G151-H156 PolarHBondContact N-NE2 3.02Å; S153-H156 PolarHBondContact O-CD2 3.38Å; S153-H156 PolarHBondContact O-N 3.16Å; E154-H156 PolarHBondContact O-N 3.39Å
157	T	95.2	Very high	94.2	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.055	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-82.7	-16.6	179.7	69.7	0	0	0	0	112.8	V56 V58 I64 E154 H155 L159	V56-T157 HydrophobicContact CG1-CG2 3.72Å; V58-T157 HydrophobicContact CG2-CG2 3.7Å; I64-T157 HydrophobicContact CD1-CG2 3.78Å; E154-T157 WeakPolarHBondContact O-CB 3.32Å; E154-T157 WeakPolarHBondContact O-CG2 3.43Å; E154-T157 PolarHBondContact O-N 2.68Å; E154-T157 PolarHBondContact O-OG1 3.16Å; H155-T157 PolarHBondContact O-N 2.89Å; T157-L159 PolarHBondContact O-N 3.26Å; T157-L159 VanDerWaalsContact OG1-CB 3.3Å; T157-L159 WeakPolarHBondContact OG1-CB 3.43Å; T157-L159 WeakPolarHBondContact OG1-CG 3.28Å; T157-L159 PolarHBondContact OG1-N 2.94Å; T157-L159 VanDerWaalsContact OG1-N 3.1Å
158	G	96.3	Very high	94.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	9.3	-168.7	0	0	0	0	0	114.3	D84 I87 H155	D84-G158 PolarHBondContact N-O 2.75Å; I87-G158 WeakPolarHBondContact CD1-O 3.39Å; H155-G158 PolarHBondContact O-N 3Å
159	L	96.5	Very high	95.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.098	C	C	.	.			trans	-106.1	-2.5	-177.3	-51.6	-179.4	0	0	0	114.2	W53 V56 D84 I87 T157 R221 Y222	W53-L159 HydrophobicContact CE3-CD1 4.32Å; W53-L159 HydrophobicContact CE3-CD2 3.99Å; W53-L159 HydrophobicContact CZ3-CD2 3.53Å; W53-L159 WeakPolarHBondContact O-CD1 3.2Å; V56-L159 HydrophobicContact CG1-CD1 3.91Å; D84-L159 HydrophobicContact CB-CD2 3.84Å; I87-L159 HydrophobicContact CG2-CD2 3.65Å; T157-L159 PolarHBondContact O-N 3.26Å; T157-L159 VanDerWaalsContact OG1-CB 3.3Å; T157-L159 WeakPolarHBondContact OG1-CB 3.43Å; T157-L159 WeakPolarHBondContact OG1-CG 3.28Å; T157-L159 PolarHBondContact OG1-N 2.94Å; T157-L159 VanDerWaalsContact OG1-N 3.1Å; L159-R221 WeakPolarHBondContact O-CD 3.49Å; L159-Y222 PolarHBondContact O-N 2.74Å
160	A	97	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.3	179.3	0	0	0	0	0	110.4	E154 I220	E154-A160 HydrophobicContact CB-CB 3.76Å; A160-I220 WeakPolarHBondContact CA-O 3.39Å
161	I	97.8	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.9	179.6	-51.6	174.1	0	0	0	107.3	V83 I87 Y91 V107 S109 F199 I220	V83-I161 HydrophobicContact CG1-CD1 3.85Å; V83-I161 HydrophobicContact CG1-CG1 4.05Å; I87-I161 HydrophobicContact CD1-CD1 4.08Å; Y91-I161 HydrophobicContact CD1-CD1 4.45Å; Y91-I161 HydrophobicContact CD2-CD1 3.31Å; Y91-I161 HydrophobicContact CE2-CD1 3.7Å; Y91-I161 HydrophobicContact CE2-CG2 4.12Å; Y91-I161 HydrophobicContact CG-CD1 3.74Å; V107-I161 HydrophobicContact CG1-CG2 3.86Å; V107-I161 HydrophobicContact CG2-CG2 4.33Å; S109-I161 CarbonylContact O-C 3.17Å; S109-I161 WeakPolarHBondContact O-CA 3.24Å; I161-F199 HydrophobicContact CD1-CE1 4.18Å; I161-I220 HydrophobicContact CB-CD1 4.22Å; I161-I220 HydrophobicContact CB-CG1 3.89Å; I161-I220 PolarHBondContact N-O 2.77Å; I161-I220 WeakPolarHBondContact O-CG1 3.5Å; I161-I220 PolarHBondContact O-N 2.8Å
162	D	97.4	Very high	94.8	Very high	9 Å²	9	31 Å²	31	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.3	168.2	-67.4	-31.6	0	0	0	107.9	I108 S109 H155 W218 H219	I108-D162 HydrophobicContact CB-CB 4.12Å; I108-D162 PolarHBondContact N-O 3.33Å; S109-D162 WeakPolarHBondContact CB-OD2 3.33Å; S109-D162 PolarHBondContact N-O 2.99Å; S109-D162 PolarHBondContact O-N 3.16Å; H155-D162 IonicContact CE1-OD1 3.88Å; H155-D162 IonicContact CE1-OD2 3.8Å; H155-D162 PolarHBondContact CE1-OD2 3.19Å; H155-D162 VanDerWaalsContact CE1-OD2 3.24Å; H155-D162 IonicContact NE2-OD1 3.5Å; H155-D162 IonicContact NE2-OD2 3.19Å; D162-W218 WeakPolarHBondContact CA-O 3.16Å; D162-H219 IonicContact OD1-CG 2.82Å; D162-H219 IonicContact OD1-ND1 3.85Å; D162-H219 PolarHBondContact OD1-ND1 2.86Å
163	V	97.2	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.8	-174.9	69.5	0	0	0	0	111.6	L105 I190 W218 I220	L105-V163 HydrophobicContact CB-CG2 3.65Å; L105-V163 HydrophobicContact CD1-CG2 3.97Å; L105-V163 HydrophobicContact CD2-CG2 4.08Å; L105-V163 HydrophobicContact CG-CG2 4.09Å; V163-I190 HydrophobicContact CG1-CD1 4.36Å; V163-W218 PolarHBondContact N-O 3.06Å; V163-W218 VanDerWaalsContact O-CA 3.29Å; V163-W218 WeakPolarHBondContact O-CA 3.32Å; V163-W218 VanDerWaalsContact O-CB 3.31Å; V163-W218 WeakPolarHBondContact O-CB 3.26Å; V163-I220 HydrophobicContact CG1-CD1 3.78Å; V163-I220 HydrophobicContact CG1-CG1 3.93Å; V163-I220 HydrophobicContact CG1-CG2 4.11Å
164	V	97.2	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163.6	171.2	-60.6	0	0	0	0	109.3	V106 I108 Y169 V176 Y181 W218	V106-V164 HydrophobicContact CB-CG2 4.23Å; V106-V164 PolarHBondContact N-O 3.22Å; V106-V164 PolarHBondContact O-N 2.85Å; V106-V164 VanDerWaalsContact O-N 3.12Å; I108-V164 HydrophobicContact CD1-CG2 3.93Å; I108-V164 HydrophobicContact CG1-CG1 4.5Å; I108-V164 HydrophobicContact CG1-CG2 4.03Å; V164-Y169 HydrophobicContact CG2-CD2 4.49Å; V164-V176 HydrophobicContact CB-CG1 4.48Å; V164-V176 HydrophobicContact CG1-CG1 3.99Å; V164-V176 HydrophobicContact CG2-CG1 3.77Å; V164-Y181 WeakPolarHBondContact CA-OH 3.19Å; V164-Y181 HydrophobicContact CB-CE1 4.02Å; V164-Y181 HydrophobicContact CB-CE2 4.33Å; V164-Y181 HydrophobicContact CG1-CD1 3.97Å; V164-Y181 HydrophobicContact CG1-CE1 3.76Å; V164-Y181 HydrophobicContact CG1-CG 4.49Å; V164-W218 HydrophobicContact CG1-CB 4.07Å
165	D	96.4	Very high	92.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	153.6	170	66.9	82.2	0	0	0	111.7	F103 P104 D167 W168 Y169 Y181 H184 G186	F103-D165 HydrophobicContact CB-CB 4.28Å; P104-D165 CarbonylContact O-C 3.57Å; P104-D165 WeakPolarHBondContact O-CA 3.48Å; D165-D167 PolarHBondContact O-N 2.97Å; D165-D167 WeakPolarHBondContact OD1-CB 3.28Å; D165-D167 PolarHBondContact OD1-N 2.92Å; D165-W168 PolarHBondContact O-N 2.94Å; D165-W168 PolarHBondContact OD1-N 3.31Å; D165-Y169 PolarHBondContact O-N 3.18Å; D165-Y181 PolarHBondContact N-OH 3.35Å; D165-Y181 WeakPolarHBondContact OD2-CE2 3.08Å; D165-Y181 PolarHBondContact OD2-OH 3.08Å; D165-H184 IonicContact OD1-CE1 2.67Å; D165-H184 PolarHBondContact OD1-CE1 2.9Å; D165-H184 IonicContact OD1-ND1 3.19Å; D165-H184 PolarHBondContact OD1-ND1 3.27Å; D165-H184 IonicContact OD2-CE1 2.82Å; D165-H184 PolarHBondContact OD2-CE1 3.17Å; D165-H184 IonicContact OD2-CG 3.24Å; D165-H184 IonicContact OD2-ND1 3.92Å; D165-H184 PolarHBondContact OD2-ND1 3.36Å; D165-G186 VanDerWaalsContact OD2-CA 3.27Å; D165-G186 WeakPolarHBondContact OD2-CA 3.33Å
166	Q	95.9	Very high	92.1	Very high	67 Å²	67	44.2 Å²	44.2	31%	0.313	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-35	-176.7	-174.7	69.2	64.8	0	0	112.8	P104 V106 Y169 N170	P104-Q166 HydrophobicContact CB-CB 4.23Å; P104-Q166 WeakPolarHBondContact O-CB 3.38Å; P104-Q166 PolarHBondContact O-N 3.12Å; V106-Q166 HydrophobicContact CG2-CB 4.14Å; V106-Q166 VanDerWaalsContact CG2-OE1 3.28Å; Q166-Y169 PolarHBondContact O-N 2.99Å; Q166-N170 PolarHBondContact NE2-OD1 3.23Å; Q166-N170 WeakPolarHBondContact O-CB 3.49Å; Q166-N170 PolarHBondContact O-N 3.35Å; Q166-N170 PolarHBondContact O-ND2 3.38Å; Q166-N170 VanDerWaalsContact O-ND2 3.14Å
167	D	94.6	Very high	91.9	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-43.6	-179.5	-79	-4.1	0	0	0	111.1	D165 N170 S171	D165-D167 PolarHBondContact O-N 2.97Å; D165-D167 WeakPolarHBondContact OD1-CB 3.28Å; D165-D167 PolarHBondContact OD1-N 2.92Å; D167-N170 PolarHBondContact O-N 2.92Å; D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 3.36Å; D167-S171 VanDerWaalsContact O-N 3.15Å; D167-S171 PolarHBondContact O-OG 3.3Å
168	W	95.4	Very high	91.6	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.027	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-49	171.9	178	-96.3	0	0	0	112.3	D165 N170 S171 Y172 V176 D178 S180 Y181 H184	D165-W168 PolarHBondContact O-N 2.94Å; D165-W168 PolarHBondContact OD1-N 3.31Å; W168-N170 VanDerWaalsContact C-N 3.26Å; W168-N170 PolarHBondContact O-N 3.37Å; W168-S171 PolarHBondContact O-N 2.86Å; W168-Y172 AromaticContact CD2-CD2 3.57Å; W168-Y172 HydrophobicContact CD2-CD2 3.57Å; W168-Y172 HydrophobicContact CD2-CE2 4.16Å; W168-Y172 HydrophobicContact CD2-CG 4.23Å; W168-Y172 AromaticContact CE2-CD2 3.9Å; W168-Y172 AromaticContact CE3-CD2 3.4Å; W168-Y172 HydrophobicContact CE3-CD2 3.4Å; W168-Y172 AromaticContact CE3-CE2 3.48Å; W168-Y172 HydrophobicContact CE3-CE2 3.48Å; W168-Y172 VanDerWaalsContact CE3-CE2 3.48Å; W168-Y172 HydrophobicContact CE3-CG 4.28Å; W168-Y172 HydrophobicContact CG-CD2 4.31Å; W168-Y172 HydrophobicContact CH2-CD1 4.28Å; W168-Y172 AromaticContact CH2-CD2 3.9Å; W168-Y172 HydrophobicContact CH2-CD2 3.9Å; W168-Y172 HydrophobicContact CH2-CE1 4.36Å; W168-Y172 HydrophobicContact CH2-CE2 4.01Å; W168-Y172 HydrophobicContact CH2-CG 4.05Å; W168-Y172 HydrophobicContact CZ2-CD1 4.47Å; W168-Y172 HydrophobicContact CZ2-CD2 4.06Å; W168-Y172 AromaticContact CZ2-CG 3.99Å; W168-Y172 HydrophobicContact CZ2-CG 3.99Å; W168-Y172 AromaticContact CZ3-CD2 3.58Å; W168-Y172 HydrophobicContact CZ3-CD2 3.58Å; W168-Y172 HydrophobicContact CZ3-CE1 4.46Å; W168-Y172 AromaticContact CZ3-CE2 3.41Å; W168-Y172 HydrophobicContact CZ3-CE2 3.41Å; W168-Y172 VanDerWaalsContact CZ3-CE2 3.41Å; W168-Y172 HydrophobicContact CZ3-CG 4.21Å; W168-Y172 AromaticContact CZ3-CZ 3.87Å; W168-Y172 PolarHBondContact O-N 2.78Å; W168-V176 PolarHBondContact NE1-O 3.17Å; W168-D178 HydrophobicContact CZ2-CB 4.4Å; W168-S180 WeakPolarHBondContact CH2-OG 3.33Å; W168-Y181 HydrophobicContact CB-CD2 3.88Å; W168-Y181 HydrophobicContact CB-CE2 3.56Å; W168-Y181 AromaticContact CD1-CD2 3.72Å; W168-Y181 AromaticContact CD1-CE2 3.99Å; W168-Y181 AromaticContact CD2-CD2 3.23Å; W168-Y181 HydrophobicContact CD2-CD2 3.23Å; W168-Y181 AromaticContact CD2-CE2 3.91Å; W168-Y181 HydrophobicContact CD2-CE2 3.91Å; W168-Y181 HydrophobicContact CD2-CG 4.05Å; W168-Y181 AromaticContact CE2-CD2 3.61Å; W168-Y181 AromaticContact CE2-CG 3.94Å; W168-Y181 AromaticContact CE3-CD2 3.6Å; W168-Y181 HydrophobicContact CE3-CD2 3.6Å; W168-Y181 HydrophobicContact CE3-CE2 4.33Å; W168-Y181 AromaticContact CG-CD2 3.34Å; W168-Y181 HydrophobicContact CG-CD2 3.34Å; W168-Y181 AromaticContact CG-CE2 3.53Å; W168-Y181 HydrophobicContact CG-CE2 3.53Å; W168-Y181 HydrophobicContact CG-CG 4.26Å; W168-Y181 HydrophobicContact CZ2-CD2 4.28Å; W168-Y181 HydrophobicContact CZ2-CG 4.36Å; W168-Y181 HydrophobicContact CZ3-CD2 4.24Å; W168-Y181 AromaticContact NE1-CD2 3.85Å; W168-H184 HydrophobicContact CE3-CB 4.19Å; W168-H184 AromaticContact CE3-CD2 3.95Å
169	Y	95	Very high	91.4	Very high	95 Å²	95	51.3 Å²	51.3	37%	0.373	28%	0.284	S	S	.	.	H	α-helix	trans	-55.4	-43.2	179.3	179.7	-100	0	0	0	112.1	V106 I108 V164 D165 Q166 S171 S173 V176	V106-Y169 HydrophobicContact CB-CG 4.38Å; V106-Y169 HydrophobicContact CG1-CD1 4.38Å; V106-Y169 HydrophobicContact CG1-CD2 3.87Å; V106-Y169 HydrophobicContact CG1-CE2 4.12Å; V106-Y169 HydrophobicContact CG1-CG 4Å; V106-Y169 HydrophobicContact CG2-CD1 4.45Å; V106-Y169 HydrophobicContact CG2-CG 4.24Å; I108-Y169 HydrophobicContact CD1-CD2 3.73Å; I108-Y169 HydrophobicContact CD1-CE2 3.89Å; V164-Y169 HydrophobicContact CG2-CD2 4.49Å; D165-Y169 PolarHBondContact O-N 3.18Å; Q166-Y169 PolarHBondContact O-N 2.99Å; Y169-S171 VanDerWaalsContact C-N 3.32Å; Y169-S171 PolarHBondContact O-N 3.21Å; Y169-S173 PolarHBondContact O-N 3.32Å; Y169-V176 HydrophobicContact CD2-CG1 4.17Å; Y169-V176 HydrophobicContact CD2-CG2 4.05Å; Y169-V176 HydrophobicContact CE2-CG2 4.34Å
170	N	92.7	Very high	91.1	Very high	97 Å²	97	53.9 Å²	53.9	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-32.4	178.6	-69.1	-19.5	0	0	0	112.7	Q166 D167 W168	Q166-N170 PolarHBondContact NE2-OD1 3.23Å; Q166-N170 WeakPolarHBondContact O-CB 3.49Å; Q166-N170 PolarHBondContact O-N 3.35Å; Q166-N170 PolarHBondContact O-ND2 3.38Å; Q166-N170 VanDerWaalsContact O-ND2 3.14Å; D167-N170 PolarHBondContact O-N 2.92Å; W168-N170 VanDerWaalsContact C-N 3.26Å; W168-N170 PolarHBondContact O-N 3.37Å
171	S	89	Confident	91	Very high	85 Å²	85	53.9 Å²	53.9	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-88.1	-27.3	-173.5	-57.8	0	0	0	0	113.6	D167 W168 Y169	D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 3.36Å; D167-S171 VanDerWaalsContact O-N 3.15Å; D167-S171 PolarHBondContact O-OG 3.3Å; W168-S171 PolarHBondContact O-N 2.86Å; Y169-S171 VanDerWaalsContact C-N 3.32Å; Y169-S171 PolarHBondContact O-N 3.21Å
172	Y	84.6	Confident	90.7	Very high	115 Å²	115	54.3 Å²	54.3	45%	0.451	31%	0.306	S	S	.	.			trans	-127.2	34.9	-171.2	-63.6	-87.3	0	0	0	113.3	W168 S174 Q175 V176	W168-Y172 AromaticContact CD2-CD2 3.57Å; W168-Y172 HydrophobicContact CD2-CD2 3.57Å; W168-Y172 HydrophobicContact CD2-CE2 4.16Å; W168-Y172 HydrophobicContact CD2-CG 4.23Å; W168-Y172 AromaticContact CE2-CD2 3.9Å; W168-Y172 AromaticContact CE3-CD2 3.4Å; W168-Y172 HydrophobicContact CE3-CD2 3.4Å; W168-Y172 AromaticContact CE3-CE2 3.48Å; W168-Y172 HydrophobicContact CE3-CE2 3.48Å; W168-Y172 VanDerWaalsContact CE3-CE2 3.48Å; W168-Y172 HydrophobicContact CE3-CG 4.28Å; W168-Y172 HydrophobicContact CG-CD2 4.31Å; W168-Y172 HydrophobicContact CH2-CD1 4.28Å; W168-Y172 AromaticContact CH2-CD2 3.9Å; W168-Y172 HydrophobicContact CH2-CD2 3.9Å; W168-Y172 HydrophobicContact CH2-CE1 4.36Å; W168-Y172 HydrophobicContact CH2-CE2 4.01Å; W168-Y172 HydrophobicContact CH2-CG 4.05Å; W168-Y172 HydrophobicContact CZ2-CD1 4.47Å; W168-Y172 HydrophobicContact CZ2-CD2 4.06Å; W168-Y172 AromaticContact CZ2-CG 3.99Å; W168-Y172 HydrophobicContact CZ2-CG 3.99Å; W168-Y172 AromaticContact CZ3-CD2 3.58Å; W168-Y172 HydrophobicContact CZ3-CD2 3.58Å; W168-Y172 HydrophobicContact CZ3-CE1 4.46Å; W168-Y172 AromaticContact CZ3-CE2 3.41Å; W168-Y172 HydrophobicContact CZ3-CE2 3.41Å; W168-Y172 VanDerWaalsContact CZ3-CE2 3.41Å; W168-Y172 HydrophobicContact CZ3-CG 4.21Å; W168-Y172 AromaticContact CZ3-CZ 3.87Å; W168-Y172 PolarHBondContact O-N 2.78Å; Y172-S174 PolarHBondContact O-N 3.2Å; Y172-Q175 CarbonylContact O-C 3.47Å; Y172-Q175 PolarHBondContact O-N 3.41Å; Y172-V176 WeakPolarHBondContact O-CG2 3.3Å; Y172-V176 PolarHBondContact O-N 2.9Å
173	S	74	Confident	90.4	Very high	91 Å²	91	59.5 Å²	59.5	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-23	-172.6	60.7	0	0	0	0	115.9	Y169	Y169-S173 PolarHBondContact O-N 3.32Å
174	S	74.2	Confident	90.2	Very high	122 Å²	122	61.5 Å²	61.5	85%	0.853	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-19	175.6	61.3	0	0	0	0	114.6	Y172	Y172-S174 PolarHBondContact O-N 3.2Å
175	Q	82.9	Confident	90.1	Very high	115 Å²	115	65.1 Å²	65.1	54%	0.537	37%	0.367	S	S	.	.	S	Bend	trans	-151.6	68	179.9	-165.8	-177.9	-11.8	0	0	109.9	Y172 D178	Y172-Q175 CarbonylContact O-C 3.47Å; Y172-Q175 PolarHBondContact O-N 3.41Å; Q175-D178 HydrophobicContact CG-CB 4.32Å; Q175-D178 PolarHBondContact NE2-OD2 3.29Å
176	V	89.7	Confident	90	Very high	18 Å²	18	65.1 Å²	65.1	11%	0.109	37%	0.367	C	S	.	.			trans	-68.2	-36.4	-174.5	179.3	0	0	0	0	112.1	I108 V164 W168 Y169 Y172 D178	I108-V176 HydrophobicContact CD1-CG1 3.74Å; I108-V176 HydrophobicContact CG1-CG1 3.99Å; V164-V176 HydrophobicContact CB-CG1 4.48Å; V164-V176 HydrophobicContact CG1-CG1 3.99Å; V164-V176 HydrophobicContact CG2-CG1 3.77Å; W168-V176 PolarHBondContact NE1-O 3.17Å; Y169-V176 HydrophobicContact CD2-CG1 4.17Å; Y169-V176 HydrophobicContact CD2-CG2 4.05Å; Y169-V176 HydrophobicContact CE2-CG2 4.34Å; Y172-V176 WeakPolarHBondContact O-CG2 3.3Å; Y172-V176 PolarHBondContact O-N 2.9Å; V176-D178 PolarHBondContact O-N 3.46Å
177	L	90.8	Very high	89.9	Confident	65 Å²	65	62.1 Å²	62.1	34%	0.34	35%	0.353	S	S	.	.	S	Bend	trans	-95.2	83.6	-178.3	-55.5	-175	0	0	0	109.6	I108 W218	I108-L177 HydrophobicContact CB-CD2 4.18Å; I108-L177 HydrophobicContact CG1-CD2 4.09Å; I108-L177 HydrophobicContact CG2-CD1 4.07Å; I108-L177 HydrophobicContact CG2-CD2 3.95Å; I108-L177 HydrophobicContact CG2-CG 4.14Å; L177-W218 HydrophobicContact CB-CD2 4.04Å; L177-W218 HydrophobicContact CB-CE3 4.46Å; L177-W218 HydrophobicContact CB-CH2 4.38Å; L177-W218 HydrophobicContact CB-CZ2 3.9Å; L177-W218 HydrophobicContact CD2-CB 4.03Å; L177-W218 HydrophobicContact CD2-CD2 3.89Å; L177-W218 HydrophobicContact CD2-CG 3.57Å
178	D	89.9	Confident	89.9	Confident	48 Å²	48	62.3 Å²	62.3	26%	0.257	35%	0.35	S	S	.	.			trans	-135.1	139.6	-179.1	-176.5	-90.6	0	0	0	112.5	W168 Q175 V176 S180 Y181 W218	W168-D178 HydrophobicContact CZ2-CB 4.4Å; Q175-D178 HydrophobicContact CG-CB 4.32Å; Q175-D178 PolarHBondContact NE2-OD2 3.29Å; V176-D178 PolarHBondContact O-N 3.46Å; D178-S180 PolarHBondContact O-N 2.78Å; D178-S180 VanDerWaalsContact OD1-CB 3.22Å; D178-S180 WeakPolarHBondContact OD1-CB 3.39Å; D178-S180 PolarHBondContact OD1-N 3.05Å; D178-S180 PolarHBondContact OD1-OG 3.23Å; D178-Y181 WeakPolarHBondContact O-CB 3.49Å; D178-Y181 PolarHBondContact O-N 3.48Å; D178-W218 VanDerWaalsContact N-CZ3 3.25Å; D178-W218 WeakPolarHBondContact O-CZ3 3.42Å
179	A	90.4	Very high	89.9	Confident	46 Å²	46	63.7 Å²	63.7	38%	0.38	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-56.6	-26.2	-174.1	0	0	0	0	0	113.9	Y181 G182 Y215	A179-Y181 PolarHBondContact O-N 3.2Å; A179-G182 PolarHBondContact O-N 2.75Å; A179-Y215 HydrophobicContact CB-CD1 4.06Å; A179-Y215 WeakPolarHBondContact O-CE1 3.4Å
180	S	91.9	Very high	89.9	Confident	55 Å²	55	59.1 Å²	59.1	39%	0.385	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-66.7	-16.8	174.8	63.4	0	0	0	0	113.5	W168 D178 G182 D183	W168-S180 WeakPolarHBondContact CH2-OG 3.33Å; D178-S180 PolarHBondContact O-N 2.78Å; D178-S180 VanDerWaalsContact OD1-CB 3.22Å; D178-S180 WeakPolarHBondContact OD1-CB 3.39Å; D178-S180 PolarHBondContact OD1-N 3.05Å; D178-S180 PolarHBondContact OD1-OG 3.23Å; S180-G182 PolarHBondContact O-N 3.08Å; S180-G182 VanDerWaalsContact O-N 3.15Å; S180-D183 PolarHBondContact O-N 3.39Å; S180-D183 VanDerWaalsContact O-N 3.11Å
181	Y	94.3	Very high	89.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-54	-34.4	171.3	180	-129.7	0	0	0	111.5	V164 D165 W168 D178 A179 D183 H184 A187 I190 P217 W218	V164-Y181 WeakPolarHBondContact CA-OH 3.19Å; V164-Y181 HydrophobicContact CB-CE1 4.02Å; V164-Y181 HydrophobicContact CB-CE2 4.33Å; V164-Y181 HydrophobicContact CG1-CD1 3.97Å; V164-Y181 HydrophobicContact CG1-CE1 3.76Å; V164-Y181 HydrophobicContact CG1-CG 4.49Å; D165-Y181 PolarHBondContact N-OH 3.35Å; D165-Y181 WeakPolarHBondContact OD2-CE2 3.08Å; D165-Y181 PolarHBondContact OD2-OH 3.08Å; W168-Y181 HydrophobicContact CB-CD2 3.88Å; W168-Y181 HydrophobicContact CB-CE2 3.56Å; W168-Y181 AromaticContact CD1-CD2 3.72Å; W168-Y181 AromaticContact CD1-CE2 3.99Å; W168-Y181 AromaticContact CD2-CD2 3.23Å; W168-Y181 HydrophobicContact CD2-CD2 3.23Å; W168-Y181 AromaticContact CD2-CE2 3.91Å; W168-Y181 HydrophobicContact CD2-CE2 3.91Å; W168-Y181 HydrophobicContact CD2-CG 4.05Å; W168-Y181 AromaticContact CE2-CD2 3.61Å; W168-Y181 AromaticContact CE2-CG 3.94Å; W168-Y181 AromaticContact CE3-CD2 3.6Å; W168-Y181 HydrophobicContact CE3-CD2 3.6Å; W168-Y181 HydrophobicContact CE3-CE2 4.33Å; W168-Y181 AromaticContact CG-CD2 3.34Å; W168-Y181 HydrophobicContact CG-CD2 3.34Å; W168-Y181 AromaticContact CG-CE2 3.53Å; W168-Y181 HydrophobicContact CG-CE2 3.53Å; W168-Y181 HydrophobicContact CG-CG 4.26Å; W168-Y181 HydrophobicContact CZ2-CD2 4.28Å; W168-Y181 HydrophobicContact CZ2-CG 4.36Å; W168-Y181 HydrophobicContact CZ3-CD2 4.24Å; W168-Y181 AromaticContact NE1-CD2 3.85Å; D178-Y181 WeakPolarHBondContact O-CB 3.49Å; D178-Y181 PolarHBondContact O-N 3.48Å; A179-Y181 PolarHBondContact O-N 3.2Å; Y181-D183 PolarHBondContact O-N 3.47Å; Y181-H184 HydrophobicContact CD2-CB 3.77Å; Y181-H184 HydrophobicContact CE2-CB 3.86Å; Y181-H184 AromaticContact CE2-ND1 3.98Å; Y181-H184 WeakPolarHBondContact O-CA 3.25Å; Y181-H184 WeakPolarHBondContact O-CB 3.38Å; Y181-H184 PolarHBondContact O-N 3.25Å; Y181-A187 HydrophobicContact CD1-CB 3.85Å; Y181-A187 HydrophobicContact CD2-CB 4.07Å; Y181-A187 HydrophobicContact CE1-CB 3.61Å; Y181-A187 HydrophobicContact CE2-CB 3.87Å; Y181-A187 HydrophobicContact CG-CB 4.06Å; Y181-A187 WeakPolarHBondContact O-CB 3.32Å; Y181-A187 PolarHBondContact OH-N 2.96Å; Y181-I190 HydrophobicContact CE1-CD1 4.49Å; Y181-I190 WeakPolarHBondContact OH-CD1 3.33Å; Y181-P217 HydrophobicContact CD1-CB 4.05Å; Y181-P217 HydrophobicContact CD1-CG 4.23Å; Y181-W218 HydrophobicContact CD1-CB 4.44Å
182	G	90.8	Very high	89.7	Confident	9 Å²	9	57.3 Å²	57.3	9%	0.093	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.6	-20.7	-179.9	0	0	0	0	0	115.4	A179 S180 Y215	A179-G182 PolarHBondContact O-N 2.75Å; S180-G182 PolarHBondContact O-N 3.08Å; S180-G182 VanDerWaalsContact O-N 3.15Å; G182-Y215 VanDerWaalsContact CA-OH 3.28Å; G182-Y215 WeakPolarHBondContact CA-OH 3.22Å
183	D	91.1	Very high	89.9	Confident	117 Å²	117	52.8 Å²	52.8	63%	0.626	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-88	-13	176.6	-68	-44.8	0	0	0	113	S180 Y181 K188	S180-D183 PolarHBondContact O-N 3.39Å; S180-D183 VanDerWaalsContact O-N 3.11Å; Y181-D183 PolarHBondContact O-N 3.47Å; D183-K188 WeakPolarHBondContact O-CE 3.45Å; D183-K188 PolarHBondContact O-NZ 3.03Å
184	H	93.8	Very high	90.7	Very high	43 Å²	43	48.4 Å²	48.4	20%	0.199	28%	0.278	C	S	.	.	S	Bend	trans	-67.7	143	179.4	-161.9	-105.2	0	0	0	111.6	D165 W168 Y181 G186 A187 K188	D165-H184 IonicContact OD1-CE1 2.67Å; D165-H184 PolarHBondContact OD1-CE1 2.9Å; D165-H184 IonicContact OD1-ND1 3.19Å; D165-H184 PolarHBondContact OD1-ND1 3.27Å; D165-H184 IonicContact OD2-CE1 2.82Å; D165-H184 PolarHBondContact OD2-CE1 3.17Å; D165-H184 IonicContact OD2-CG 3.24Å; D165-H184 IonicContact OD2-ND1 3.92Å; D165-H184 PolarHBondContact OD2-ND1 3.36Å; W168-H184 HydrophobicContact CE3-CB 4.19Å; W168-H184 AromaticContact CE3-CD2 3.95Å; Y181-H184 HydrophobicContact CD2-CB 3.77Å; Y181-H184 HydrophobicContact CE2-CB 3.86Å; Y181-H184 AromaticContact CE2-ND1 3.98Å; Y181-H184 WeakPolarHBondContact O-CA 3.25Å; Y181-H184 WeakPolarHBondContact O-CB 3.38Å; Y181-H184 PolarHBondContact O-N 3.25Å; H184-G186 VanDerWaalsContact C-N 3.28Å; H184-G186 PolarHBondContact ND1-N 2.83Å; H184-G186 PolarHBondContact O-N 3.14Å; H184-A187 HydrophobicContact CB-CB 4.33Å; H184-A187 PolarHBondContact O-N 2.82Å; H184-K188 PolarHBondContact O-N 2.67Å; H184-K188 VanDerWaalsContact O-N 3.08Å
185	P	94.4	Very high	91.3	Very high	76 Å²	76	43.6 Å²	43.6	49%	0.494	24%	0.243	S	C	.	.	H	α-helix	trans	-53.8	-41.1	177.4	-29	37	0	0	0	114	F103 K188 W189	F103-P185 HydrophobicContact CE1-CB 3.82Å; F103-P185 HydrophobicContact CZ-CB 4.13Å; P185-K188 PolarHBondContact O-N 3.13Å; P185-W189 PolarHBondContact O-N 3.46Å
186	G	93.8	Very high	91.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-37.9	178.4	0	0	0	0	0	113.2	F103 D165 H184 K188 W189 I190	F103-G186 VanDerWaalsContact CD1-CA 3.42Å; D165-G186 VanDerWaalsContact OD2-CA 3.27Å; D165-G186 WeakPolarHBondContact OD2-CA 3.33Å; H184-G186 VanDerWaalsContact C-N 3.28Å; H184-G186 PolarHBondContact ND1-N 2.83Å; H184-G186 PolarHBondContact O-N 3.14Å; G186-K188 VanDerWaalsContact C-N 3.35Å; G186-K188 PolarHBondContact O-N 3.24Å; G186-W189 PolarHBondContact O-N 3.01Å; G186-I190 VanDerWaalsContact O-CG1 3.27Å; G186-I190 WeakPolarHBondContact O-CG1 3.48Å; G186-I190 PolarHBondContact O-N 2.85Å
187	A	94.8	Very high	91.4	Very high	4 Å²	4	45 Å²	45	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-40.6	174	0	0	0	0	0	112.4	Y181 H184 I190 A191	Y181-A187 HydrophobicContact CD1-CB 3.85Å; Y181-A187 HydrophobicContact CD2-CB 4.07Å; Y181-A187 HydrophobicContact CE1-CB 3.61Å; Y181-A187 HydrophobicContact CE2-CB 3.87Å; Y181-A187 HydrophobicContact CG-CB 4.06Å; Y181-A187 WeakPolarHBondContact O-CB 3.32Å; Y181-A187 PolarHBondContact OH-N 2.96Å; H184-A187 HydrophobicContact CB-CB 4.33Å; H184-A187 PolarHBondContact O-N 2.82Å; A187-I190 PolarHBondContact O-N 3.36Å; A187-A191 WeakPolarHBondContact O-CB 3.24Å; A187-A191 PolarHBondContact O-N 2.88Å
188	K	94.4	Very high	91.2	Very high	101 Å²	101	42.6 Å²	42.6	44%	0.439	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-44	174.9	-71.3	172	178	154.9	0	111	D183 H184 P185 G186 I190 A191 E192	D183-K188 WeakPolarHBondContact O-CE 3.45Å; D183-K188 PolarHBondContact O-NZ 3.03Å; H184-K188 PolarHBondContact O-N 2.67Å; H184-K188 VanDerWaalsContact O-N 3.08Å; P185-K188 PolarHBondContact O-N 3.13Å; G186-K188 VanDerWaalsContact C-N 3.35Å; G186-K188 PolarHBondContact O-N 3.24Å; K188-I190 PolarHBondContact O-N 3.31Å; K188-A191 PolarHBondContact O-N 3.33Å; K188-E192 WeakPolarHBondContact O-CB 3.48Å; K188-E192 VanDerWaalsContact O-CG 3.3Å; K188-E192 WeakPolarHBondContact O-CG 3.03Å; K188-E192 PolarHBondContact O-N 3.16Å
189	W	96	Very high	91.4	Very high	35 Å²	35	40.3 Å²	40.3	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-43.4	175.8	-171.5	94.6	0	0	0	112.1	F94 A97 A98 A101 F103 P185 G186 E192 N193	F94-W189 HydrophobicContact CD2-CH2 4.44Å; F94-W189 HydrophobicContact CD2-CZ3 4.21Å; F94-W189 HydrophobicContact CE2-CE3 4.44Å; F94-W189 HydrophobicContact CE2-CH2 4.13Å; F94-W189 AromaticContact CE2-CZ3 3.51Å; F94-W189 HydrophobicContact CE2-CZ3 3.51Å; F94-W189 HydrophobicContact CZ-CZ3 4.22Å; A97-W189 HydrophobicContact CB-CH2 4.22Å; A98-W189 VanDerWaalsContact CA-CZ3 3.49Å; A98-W189 HydrophobicContact CB-CE3 4.13Å; A98-W189 HydrophobicContact CB-CH2 3.7Å; A98-W189 HydrophobicContact CB-CZ3 3.37Å; A98-W189 VanDerWaalsContact N-CH2 3.33Å; A101-W189 HydrophobicContact CB-CD2 4.31Å; A101-W189 VanDerWaalsContact CB-CE2 3.43Å; A101-W189 HydrophobicContact CB-CZ2 3.63Å; F103-W189 HydrophobicContact CD2-CB 3.58Å; F103-W189 AromaticContact CD2-CD1 3.63Å; F103-W189 AromaticContact CD2-CD2 3.85Å; F103-W189 HydrophobicContact CD2-CD2 3.85Å; F103-W189 AromaticContact CD2-CG 3.37Å; F103-W189 HydrophobicContact CD2-CG 3.37Å; F103-W189 HydrophobicContact CE2-CB 3.61Å; F103-W189 AromaticContact CE2-CD1 3.48Å; F103-W189 VanDerWaalsContact CE2-CD1 3.48Å; F103-W189 HydrophobicContact CE2-CD2 4.45Å; F103-W189 AromaticContact CE2-CG 3.55Å; F103-W189 HydrophobicContact CE2-CG 3.55Å; F103-W189 HydrophobicContact CG-CB 4.29Å; F103-W189 HydrophobicContact CG-CG 4.37Å; F103-W189 HydrophobicContact CZ-CB 4.33Å; P185-W189 PolarHBondContact O-N 3.46Å; G186-W189 PolarHBondContact O-N 3.01Å; W189-E192 PolarHBondContact O-N 3.08Å; W189-N193 HydrophobicContact CD2-CB 4.1Å; W189-N193 VanDerWaalsContact CE2-ND2 3.34Å; W189-N193 HydrophobicContact CE3-CB 4.08Å; W189-N193 HydrophobicContact CH2-CB 3.66Å; W189-N193 HydrophobicContact CZ2-CB 3.71Å; W189-N193 HydrophobicContact CZ3-CB 3.86Å; W189-N193 PolarHBondContact NE1-ND2 2.82Å; W189-N193 WeakPolarHBondContact O-CB 2.91Å; W189-N193 PolarHBondContact O-N 3.3Å; W189-N193 PolarHBondContact O-ND2 2.69Å
190	I	94.8	Very high	91.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-51	175	-70.8	165.8	0	0	0	110.1	F94 L105 V163 Y181 G186 A187 K188 E192 N193 A194 I201 I220	F94-I190 HydrophobicContact CZ-CB 4.39Å; F94-I190 HydrophobicContact CZ-CG1 4.12Å; F94-I190 HydrophobicContact CZ-CG2 4.07Å; L105-I190 HydrophobicContact CD2-CD1 3.81Å; L105-I190 HydrophobicContact CD2-CG1 4.03Å; V163-I190 HydrophobicContact CG1-CD1 4.36Å; Y181-I190 HydrophobicContact CE1-CD1 4.49Å; Y181-I190 WeakPolarHBondContact OH-CD1 3.33Å; G186-I190 VanDerWaalsContact O-CG1 3.27Å; G186-I190 WeakPolarHBondContact O-CG1 3.48Å; G186-I190 PolarHBondContact O-N 2.85Å; A187-I190 PolarHBondContact O-N 3.36Å; K188-I190 PolarHBondContact O-N 3.31Å; I190-E192 PolarHBondContact O-N 3.4Å; I190-N193 PolarHBondContact O-N 2.91Å; I190-A194 HydrophobicContact CG2-CB 4.27Å; I190-A194 WeakPolarHBondContact O-CB 3.26Å; I190-A194 PolarHBondContact O-N 3.44Å; I190-I201 HydrophobicContact CG2-CD1 3.78Å; I190-I220 HydrophobicContact CG2-CG2 4.09Å
191	A	90.2	Very high	91.6	Very high	49 Å²	49	38.7 Å²	38.7	41%	0.405	20%	0.203	S	C	.	.	H	α-helix	trans	-58.5	-33.7	179.5	0	0	0	0	0	112.6	A187 K188 I201	A187-A191 WeakPolarHBondContact O-CB 3.24Å; A187-A191 PolarHBondContact O-N 2.88Å; K188-A191 PolarHBondContact O-N 3.33Å; A191-I201 HydrophobicContact CB-CG1 4.02Å
192	E	86.6	Confident	91.6	Very high	94 Å²	94	41.2 Å²	41.2	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-76.9	-41.6	177.4	-79	176.4	-169	0	0	113	K188 W189 I190 H234	K188-E192 WeakPolarHBondContact O-CB 3.48Å; K188-E192 VanDerWaalsContact O-CG 3.3Å; K188-E192 WeakPolarHBondContact O-CG 3.03Å; K188-E192 PolarHBondContact O-N 3.16Å; W189-E192 PolarHBondContact O-N 3.08Å; I190-E192 PolarHBondContact O-N 3.4Å; E192-H234 VanDerWaalsContact C-CE1 3.48Å; E192-H234 WeakPolarHBondContact CA-CE1 3.37Å; E192-H234 WeakPolarHBondContact CA-NE2 3.3Å; E192-H234 WeakPolarHBondContact CB-NE2 3.38Å; E192-H234 WeakPolarHBondContact CG-NE2 3.45Å; E192-H234 PolarHBondContact O-CE1 2.76Å; E192-H234 PolarHBondContact O-NE2 3.15Å
193	N	89.9	Confident	91.6	Very high	20 Å²	20	41.2 Å²	41.2	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-105.4	-27.7	-165.9	-68	-83.7	0	0	0	114.5	W189 I190 P195 K196 Y197	W189-N193 HydrophobicContact CD2-CB 4.1Å; W189-N193 VanDerWaalsContact CE2-ND2 3.34Å; W189-N193 HydrophobicContact CE3-CB 4.08Å; W189-N193 HydrophobicContact CH2-CB 3.66Å; W189-N193 HydrophobicContact CZ2-CB 3.71Å; W189-N193 HydrophobicContact CZ3-CB 3.86Å; W189-N193 PolarHBondContact NE1-ND2 2.82Å; W189-N193 WeakPolarHBondContact O-CB 2.91Å; W189-N193 PolarHBondContact O-N 3.3Å; W189-N193 PolarHBondContact O-ND2 2.69Å; I190-N193 PolarHBondContact O-N 2.91Å; N193-P195 VanDerWaalsContact C-N 3.28Å; N193-K196 VanDerWaalsContact O-CB 3.31Å; N193-K196 WeakPolarHBondContact O-CB 3.43Å; N193-K196 PolarHBondContact O-N 3.46Å; N193-K196 PolarHBondContact OD1-NZ 3.41Å; N193-Y197 WeakPolarHBondContact O-CD2 3.2Å
194	A	91.1	Very high	91.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-51.6	-38.4	178.7	0	0	0	0	0	113.7	F94 I190 K196 Y197 F199	F94-A194 HydrophobicContact CE1-CB 4.3Å; F94-A194 HydrophobicContact CE2-CB 3.84Å; F94-A194 HydrophobicContact CZ-CB 3.7Å; I190-A194 HydrophobicContact CG2-CB 4.27Å; I190-A194 WeakPolarHBondContact O-CB 3.26Å; I190-A194 PolarHBondContact O-N 3.44Å; A194-K196 PolarHBondContact O-N 3.18Å; A194-Y197 PolarHBondContact O-N 3.03Å; A194-F199 CarbonylContact C-O 3.59Å; A194-F199 HydrophobicContact CB-CB 3.89Å; A194-F199 PolarHBondContact O-N 3.27Å; A194-F199 VanDerWaalsContact O-N 3.12Å
195	P	86.4	Confident	91.2	Very high	21 Å²	21	44 Å²	44	14%	0.136	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-64.5	-23.5	-179.9	-22.1	34.2	0	0	0	114.2	N193 Y197 G198 F199 V230	N193-P195 VanDerWaalsContact C-N 3.28Å; P195-Y197 PolarHBondContact O-N 3.36Å; P195-G198 PolarHBondContact O-N 3.37Å; P195-F199 WeakPolarHBondContact CA-O 3.44Å; P195-V230 VanDerWaalsContact C-CG2 3.48Å; P195-V230 HydrophobicContact CB-CB 4.02Å; P195-V230 HydrophobicContact CB-CG1 3.73Å; P195-V230 HydrophobicContact CB-CG2 3.53Å; P195-V230 WeakPolarHBondContact O-CG2 3.49Å
196	K	86.2	Confident	90.7	Very high	103 Å²	103	44.8 Å²	44.8	45%	0.448	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-63	-22.8	174.3	-60.4	173.9	-177.2	168.7	0	112.4	N193 A194 V230	N193-K196 VanDerWaalsContact O-CB 3.31Å; N193-K196 WeakPolarHBondContact O-CB 3.43Å; N193-K196 PolarHBondContact O-N 3.46Å; N193-K196 PolarHBondContact OD1-NZ 3.41Å; A194-K196 PolarHBondContact O-N 3.18Å; K196-V230 HydrophobicContact CG-CG1 3.88Å
197	Y	88.4	Confident	90.2	Very high	60 Å²	60	50.1 Å²	50.1	24%	0.235	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-110	15.6	-178.5	-55.6	-85.4	0	0	0	112.3	E93 F94 A97 N193 A194 P195 F199	E93-Y197 HydrophobicContact CB-CD1 3.95Å; E93-Y197 HydrophobicContact CB-CE1 3.94Å; F94-Y197 HydrophobicContact CB-CD1 4.11Å; F94-Y197 HydrophobicContact CB-CD2 3.8Å; F94-Y197 HydrophobicContact CB-CE2 4.43Å; F94-Y197 HydrophobicContact CB-CG 3.63Å; F94-Y197 AromaticContact CD2-CD2 3.51Å; F94-Y197 HydrophobicContact CD2-CD2 3.51Å; F94-Y197 AromaticContact CD2-CE2 3.93Å; F94-Y197 HydrophobicContact CD2-CE2 3.93Å; F94-Y197 HydrophobicContact CD2-CG 4.23Å; F94-Y197 HydrophobicContact CG-CD2 4.05Å; F94-Y197 HydrophobicContact CG-CG 4.31Å; A97-Y197 HydrophobicContact CB-CE2 4.2Å; A97-Y197 WeakPolarHBondContact CB-OH 3.42Å; N193-Y197 WeakPolarHBondContact O-CD2 3.2Å; A194-Y197 PolarHBondContact O-N 3.03Å; P195-Y197 PolarHBondContact O-N 3.36Å; Y197-F199 VanDerWaalsContact O-CD2 3.24Å; Y197-F199 WeakPolarHBondContact O-CD2 3.5Å; Y197-F199 WeakPolarHBondContact O-CE2 3.27Å
198	G	86.9	Confident	89.7	Confident	14 Å²	14	53.5 Å²	53.5	14%	0.144	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	14.2	177.9	0	0	0	0	0	114.9	P195 Y222 V223	P195-G198 PolarHBondContact O-N 3.37Å; G198-Y222 CarbonylContact O-C 3.59Å; G198-Y222 WeakPolarHBondContact O-CA 3.13Å; G198-V223 CarbonylContact O-C 3.57Å; G198-V223 PolarHBondContact O-N 3.28Å
199	F	93.2	Very high	89.2	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.1	178.3	-67	-85.2	0	0	0	112.1	I87 D90 Y91 I161 A194 P195 Y197 I220 R221 Y222	I87-F199 HydrophobicContact CD1-CE1 4.15Å; I87-F199 HydrophobicContact CD1-CZ 4.33Å; D90-F199 HydrophobicContact CB-CE2 4.19Å; Y91-F199 HydrophobicContact CD2-CZ 4.13Å; Y91-F199 HydrophobicContact CG-CZ 4.48Å; I161-F199 HydrophobicContact CD1-CE1 4.18Å; A194-F199 CarbonylContact C-O 3.59Å; A194-F199 HydrophobicContact CB-CB 3.89Å; A194-F199 PolarHBondContact O-N 3.27Å; A194-F199 VanDerWaalsContact O-N 3.12Å; P195-F199 WeakPolarHBondContact CA-O 3.44Å; Y197-F199 VanDerWaalsContact O-CD2 3.24Å; Y197-F199 WeakPolarHBondContact O-CD2 3.5Å; Y197-F199 WeakPolarHBondContact O-CE2 3.27Å; F199-I220 HydrophobicContact CB-CB 4.31Å; F199-I220 HydrophobicContact CB-CD1 4.36Å; F199-I220 HydrophobicContact CD1-CB 4.31Å; F199-I220 HydrophobicContact CD1-CD1 3.74Å; F199-I220 HydrophobicContact CD1-CG1 4.14Å; F199-I220 HydrophobicContact CE1-CD1 4.22Å; F199-I220 HydrophobicContact CG-CD1 4.06Å; F199-R221 WeakPolarHBondContact CA-O 3.45Å; F199-Y222 HydrophobicContact CD1-CD2 4.21Å; F199-Y222 HydrophobicContact CD2-CD2 4.31Å; F199-Y222 AromaticContact CE1-CD2 3.83Å; F199-Y222 HydrophobicContact CE1-CD2 3.83Å; F199-Y222 HydrophobicContact CE1-CG 4.31Å; F199-Y222 AromaticContact CE2-CD2 3.92Å; F199-Y222 HydrophobicContact CE2-CD2 3.92Å; F199-Y222 HydrophobicContact CE2-CE2 4.43Å; F199-Y222 HydrophobicContact CG-CD2 4.43Å; F199-Y222 AromaticContact CZ-CD2 3.66Å; F199-Y222 HydrophobicContact CZ-CD2 3.66Å; F199-Y222 HydrophobicContact CZ-CE2 4.44Å
200	I	93	Very high	88.5	Confident	46 Å²	46	59 Å²	59	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149	171.8	62.6	169	0	0	0	110.6	R202 I220 R221 V223	I200-R202 PolarHBondContact O-N 3.13Å; I200-I220 CarbonylContact O-C 3.48Å; I200-I220 VanDerWaalsContact O-CA 3.27Å; I200-I220 WeakPolarHBondContact O-CA 3.33Å; I200-R221 HydrophobicContact CG1-CB 4.26Å; I200-R221 PolarHBondContact N-O 3.44Å; I200-R221 PolarHBondContact O-N 2.86Å; I200-V223 HydrophobicContact CB-CG2 4.23Å; I200-V223 HydrophobicContact CD1-CG2 3.79Å; I200-V223 HydrophobicContact CG1-CG2 3.71Å; I200-V223 HydrophobicContact CG2-CG2 3.57Å
201	I	94.1	Very high	87.9	Confident	20 Å²	20	60.1 Å²	60.1	10%	0.103	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	112.3	160	-57	-56.8	0	0	0	107.5	I190 A191 L204 P217 I220	I190-I201 HydrophobicContact CG2-CD1 3.78Å; A191-I201 HydrophobicContact CB-CG1 4.02Å; I201-L204 HydrophobicContact CB-CD2 4Å; I201-L204 HydrophobicContact CG2-CD2 3.9Å; I201-P217 WeakPolarHBondContact CD1-O 2.9Å; I201-I220 HydrophobicContact CD1-CG2 3.73Å
202	R	93.8	Very high	87.6	Confident	53 Å²	53	60.3 Å²	60.3	20%	0.2	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-36.2	-166.1	-177.4	62.3	-178.3	81.2	3	113.8	E154 I200 H219 R221	E154-R202 IonicContact OE1-CZ 2.79Å; E154-R202 IonicContact OE1-NE 3.23Å; E154-R202 PolarHBondContact OE1-NE 3.44Å; E154-R202 IonicContact OE1-NH2 3.4Å; E154-R202 WeakPolarHBondContact OE2-CG 3.44Å; E154-R202 IonicContact OE2-NE 3.94Å; I200-R202 PolarHBondContact O-N 3.13Å; R202-H219 WeakPolarHBondContact CB-CD2 3.13Å; R202-H219 PolarHBondContact N-O 3.19Å; R202-R221 HydrophobicContact CB-CB 3.95Å; R202-R221 HydrophobicContact CG-CB 4.15Å
203	Y	90.8	Very high	87.5	Confident	10 Å²	10	57.3 Å²	57.3	4%	0.039	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	88.9	-172.6	-52	-58.1	0	0	0	109.9	T211 I213 T214 Y215 E216 H219	Y203-T211 HydrophobicContact CD1-CG2 4.07Å; Y203-I213 HydrophobicContact CD1-CB 3.73Å; Y203-I213 HydrophobicContact CD1-CD1 4.17Å; Y203-I213 HydrophobicContact CD1-CG1 4.48Å; Y203-I213 HydrophobicContact CD1-CG2 3.84Å; Y203-I213 HydrophobicContact CD2-CG2 3.77Å; Y203-I213 HydrophobicContact CE1-CB 3.91Å; Y203-I213 HydrophobicContact CE1-CD1 3.41Å; Y203-I213 VanDerWaalsContact CE1-CD1 3.41Å; Y203-I213 HydrophobicContact CE1-CG1 4.15Å; Y203-I213 HydrophobicContact CE1-CG2 4.11Å; Y203-I213 HydrophobicContact CE2-CD1 4.12Å; Y203-I213 HydrophobicContact CE2-CG2 4.02Å; Y203-I213 HydrophobicContact CG-CB 4.09Å; Y203-I213 HydrophobicContact CG-CG2 3.66Å; Y203-I213 WeakPolarHBondContact OH-CD1 3.46Å; Y203-T214 WeakPolarHBondContact CB-O 3.38Å; Y203-Y215 VanDerWaalsContact O-CD2 3.25Å; Y203-Y215 WeakPolarHBondContact O-CD2 3.44Å; Y203-E216 HydrophobicContact CD2-CB 3.97Å; Y203-E216 HydrophobicContact CD2-CG 4.15Å; Y203-E216 WeakPolarHBondContact CD2-OE2 3.21Å; Y203-E216 WeakPolarHBondContact CE2-OE2 3.46Å; Y203-E216 PolarHBondContact O-N 3.35Å; Y203-E216 VanDerWaalsContact O-N 3.13Å; Y203-H219 HydrophobicContact CD2-CB 3.97Å; Y203-H219 AromaticContact CD2-CG 3.84Å; Y203-H219 HydrophobicContact CE2-CB 4.2Å; Y203-H219 AromaticContact CE2-CD2 3.65Å; Y203-H219 AromaticContact CE2-CE1 3.73Å; Y203-H219 AromaticContact CE2-CG 3.56Å; Y203-H219 AromaticContact CE2-ND1 3.61Å; Y203-H219 AromaticContact CE2-NE2 3.71Å
204	L	90	Very high	87.4	Confident	70 Å²	70	60.6 Å²	60.6	37%	0.366	31%	0.312	S	S	.	.			trans	-81.3	150.6	-178.8	-61.6	174.6	0	0	0	112.2	I201 D206 R207	I201-L204 HydrophobicContact CB-CD2 4Å; I201-L204 HydrophobicContact CG2-CD2 3.9Å; L204-D206 PolarHBondContact O-N 3.43Å; L204-D206 VanDerWaalsContact O-N 3.17Å; L204-R207 HydrophobicContact CB-CB 4.2Å; L204-R207 HydrophobicContact CB-CG 4Å; L204-R207 HydrophobicContact CD1-CG 4.25Å; L204-R207 PolarHBondContact O-N 3.48Å; L204-R207 VanDerWaalsContact O-N 3.12Å
205	K	85.8	Confident	87.4	Confident	147 Å²	147	63.2 Å²	63.2	64%	0.639	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.2	-178.3	-167.7	174.2	-175.3	172.4	0	113.4	Q208 Y215	K205-Q208 PolarHBondContact O-NE2 2.97Å; K205-Y215 HydrophobicContact CB-CD1 4.43Å; K205-Y215 HydrophobicContact CB-CD2 3.96Å; K205-Y215 HydrophobicContact CB-CE2 4.46Å; K205-Y215 HydrophobicContact CB-CG 3.96Å; K205-Y215 HydrophobicContact CG-CG 4.45Å
206	D	84.6	Confident	87.8	Confident	94 Å²	94	64.3 Å²	64.3	50%	0.503	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	17.7	-176.8	69.2	-29	0	0	0	113.6	L204	L204-D206 PolarHBondContact O-N 3.43Å; L204-D206 VanDerWaalsContact O-N 3.17Å
207	R	83.5	Confident	88.1	Confident	111 Å²	111	59.6 Å²	59.6	42%	0.419	31%	0.305	S	S	.	.			trans	-131.1	10	-179.1	-61.7	-68.1	-178.9	-82.3	-14	114.6	L204 D209 I210 T211	L204-R207 HydrophobicContact CB-CB 4.2Å; L204-R207 HydrophobicContact CB-CG 4Å; L204-R207 HydrophobicContact CD1-CG 4.25Å; L204-R207 PolarHBondContact O-N 3.48Å; L204-R207 VanDerWaalsContact O-N 3.12Å; R207-D209 PolarHBondContact O-N 3.46Å; R207-I210 PolarHBondContact O-N 2.82Å; R207-T211 HydrophobicContact CB-CG2 4.48Å; R207-T211 PolarHBondContact O-N 3Å; R207-T211 PolarHBondContact O-OG1 3.33Å
208	Q	84.6	Confident	88.5	Confident	76 Å²	76	57.7 Å²	57.7	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-30.1	-176.4	-59.2	177.4	58.5	0	0	112.9	K205 I210 G212	K205-Q208 PolarHBondContact O-NE2 2.97Å; Q208-I210 VanDerWaalsContact C-N 3.27Å; Q208-I210 PolarHBondContact O-N 3.33Å; Q208-G212 WeakPolarHBondContact O-CA 3.29Å; Q208-G212 PolarHBondContact O-N 3.44Å
209	D	82.6	Confident	89	Confident	132 Å²	132	57.3 Å²	57.3	71%	0.706	29%	0.292	S	S	*	.	H	α-helix	trans	-67.4	-27	175.3	63.8	-49.2	0	0	0	113.1	R207	R207-D209 PolarHBondContact O-N 3.46Å
210	I	82	Confident	89.1	Confident	120 Å²	120	57.3 Å²	57.3	62%	0.615	29%	0.292	S	S	*	.	H	α-helix	trans	-90.3	-48.5	178	-57.2	179.7	0	0	0	110.4	R207 Q208	R207-I210 PolarHBondContact O-N 2.82Å; Q208-I210 VanDerWaalsContact C-N 3.27Å; Q208-I210 PolarHBondContact O-N 3.33Å
211	T	82.7	Confident	89.3	Confident	22 Å²	22	55.4 Å²	55.4	14%	0.135	28%	0.281	C	S	.	.	H	α-helix	trans	-75.7	-29.3	-175.5	59.1	0	0	0	0	112.8	Y203 R207 I213	Y203-T211 HydrophobicContact CD1-CG2 4.07Å; R207-T211 HydrophobicContact CB-CG2 4.48Å; R207-T211 PolarHBondContact O-N 3Å; R207-T211 PolarHBondContact O-OG1 3.33Å; T211-I213 PolarHBondContact O-N 2.91Å; T211-I213 PolarHBondContact OG1-N 3.06Å; T211-I213 PolarHBondContact OG1-O 2.93Å
212	G	83.7	Confident	89.3	Confident	54 Å²	54	55.1 Å²	55.1	56%	0.557	28%	0.279	S	S	*	.	S	Bend	trans	69.6	12.6	-170.1	0	0	0	0	0	113.5	Q208	Q208-G212 WeakPolarHBondContact O-CA 3.29Å; Q208-G212 PolarHBondContact O-N 3.44Å
213	I	84	Confident	88.8	Confident	31 Å²	31	53.3 Å²	53.3	16%	0.159	27%	0.274	C	S	.	.	S	Bend	trans	-126.6	138.9	-179.5	-66	175.1	0	0	0	107.6	P60 Y203 T211 E216	P60-I213 HydrophobicContact CG-CD1 3.92Å; P60-I213 HydrophobicContact CG-CG1 3.75Å; Y203-I213 HydrophobicContact CD1-CB 3.73Å; Y203-I213 HydrophobicContact CD1-CD1 4.17Å; Y203-I213 HydrophobicContact CD1-CG1 4.48Å; Y203-I213 HydrophobicContact CD1-CG2 3.84Å; Y203-I213 HydrophobicContact CD2-CG2 3.77Å; Y203-I213 HydrophobicContact CE1-CB 3.91Å; Y203-I213 HydrophobicContact CE1-CD1 3.41Å; Y203-I213 VanDerWaalsContact CE1-CD1 3.41Å; Y203-I213 HydrophobicContact CE1-CG1 4.15Å; Y203-I213 HydrophobicContact CE1-CG2 4.11Å; Y203-I213 HydrophobicContact CE2-CD1 4.12Å; Y203-I213 HydrophobicContact CE2-CG2 4.02Å; Y203-I213 HydrophobicContact CG-CB 4.09Å; Y203-I213 HydrophobicContact CG-CG2 3.66Å; Y203-I213 WeakPolarHBondContact OH-CD1 3.46Å; T211-I213 PolarHBondContact O-N 2.91Å; T211-I213 PolarHBondContact OG1-N 3.06Å; T211-I213 PolarHBondContact OG1-O 2.93Å; I213-E216 HydrophobicContact CG2-CG 4.38Å
214	T	89.1	Confident	87.5	Confident	89 Å²	89	56.5 Å²	56.5	55%	0.546	29%	0.294	S	S	.	.			trans	-65	172.5	178.7	45.5	0	0	0	0	112.1	Y203 E216	Y203-T214 WeakPolarHBondContact CB-O 3.38Å; T214-E216 PolarHBondContact O-N 3.34Å
215	Y	90.8	Very high	85.6	Confident	55 Å²	55	55.8 Å²	55.8	22%	0.216	29%	0.29	C	S	.	.			trans	-62.6	124.4	178.2	178.5	-132.1	0	0	0	112	A179 G182 Y203 K205 P217	A179-Y215 HydrophobicContact CB-CD1 4.06Å; A179-Y215 WeakPolarHBondContact O-CE1 3.4Å; G182-Y215 VanDerWaalsContact CA-OH 3.28Å; G182-Y215 WeakPolarHBondContact CA-OH 3.22Å; Y203-Y215 VanDerWaalsContact O-CD2 3.25Å; Y203-Y215 WeakPolarHBondContact O-CD2 3.44Å; K205-Y215 HydrophobicContact CB-CD1 4.43Å; K205-Y215 HydrophobicContact CB-CD2 3.96Å; K205-Y215 HydrophobicContact CB-CE2 4.46Å; K205-Y215 HydrophobicContact CB-CG 3.96Å; K205-Y215 HydrophobicContact CG-CG 4.45Å; Y215-P217 HydrophobicContact CD1-CG 4.36Å; Y215-P217 HydrophobicContact CE1-CB 4.18Å; Y215-P217 HydrophobicContact CE1-CG 3.78Å; Y215-P217 HydrophobicContact CE2-CB 4.18Å; Y215-P217 HydrophobicContact CE2-CG 4.42Å; Y215-P217 WeakPolarHBondContact OH-CB 3.25Å
216	E	93.1	Very high	83.6	Confident	44 Å²	44	51.2 Å²	51.2	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	84.9	179.1	-61.5	-173	169.8	0	0	110.1	Y203 I213 T214 W218 H219	Y203-E216 HydrophobicContact CD2-CB 3.97Å; Y203-E216 HydrophobicContact CD2-CG 4.15Å; Y203-E216 WeakPolarHBondContact CD2-OE2 3.21Å; Y203-E216 WeakPolarHBondContact CE2-OE2 3.46Å; Y203-E216 PolarHBondContact O-N 3.35Å; Y203-E216 VanDerWaalsContact O-N 3.13Å; I213-E216 HydrophobicContact CG2-CG 4.38Å; T214-E216 PolarHBondContact O-N 3.34Å; E216-W218 HydrophobicContact CB-CD2 4.26Å; E216-W218 HydrophobicContact CB-CH2 4.19Å; E216-W218 HydrophobicContact CB-CZ2 3.69Å; E216-W218 HydrophobicContact CG-CH2 4.12Å; E216-W218 HydrophobicContact CG-CZ2 3.53Å; E216-W218 PolarHBondContact O-N 2.93Å; E216-W218 VanDerWaalsContact O-N 3.1Å; E216-H219 HydrophobicContact CB-CB 4.02Å; E216-H219 PolarHBondContact O-N 3.11Å; E216-H219 IonicContact OE2-ND1 2.92Å
217	P	93.9	Very high	81.3	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.019	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-14.9	-179	15.8	-28.9	0	0	0	115.8	Y181 I201 Y215	Y181-P217 HydrophobicContact CD1-CB 4.05Å; Y181-P217 HydrophobicContact CD1-CG 4.23Å; I201-P217 WeakPolarHBondContact CD1-O 2.9Å; Y215-P217 HydrophobicContact CD1-CG 4.36Å; Y215-P217 HydrophobicContact CE1-CB 4.18Å; Y215-P217 HydrophobicContact CE1-CG 3.78Å; Y215-P217 HydrophobicContact CE2-CB 4.18Å; Y215-P217 HydrophobicContact CE2-CG 4.42Å; Y215-P217 WeakPolarHBondContact OH-CB 3.25Å
218	W	96.3	Very high	79.1	Confident	20 Å²	20	49.9 Å²	49.9	8%	0.076	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-21.9	179.2	53	82.4	0	0	0	113.6	D162 V163 V164 L177 D178 Y181 E216 I220	D162-W218 WeakPolarHBondContact CA-O 3.16Å; V163-W218 PolarHBondContact N-O 3.06Å; V163-W218 VanDerWaalsContact O-CA 3.29Å; V163-W218 WeakPolarHBondContact O-CA 3.32Å; V163-W218 VanDerWaalsContact O-CB 3.31Å; V163-W218 WeakPolarHBondContact O-CB 3.26Å; V164-W218 HydrophobicContact CG1-CB 4.07Å; L177-W218 HydrophobicContact CB-CD2 4.04Å; L177-W218 HydrophobicContact CB-CE3 4.46Å; L177-W218 HydrophobicContact CB-CH2 4.38Å; L177-W218 HydrophobicContact CB-CZ2 3.9Å; L177-W218 HydrophobicContact CD2-CB 4.03Å; L177-W218 HydrophobicContact CD2-CD2 3.89Å; L177-W218 HydrophobicContact CD2-CG 3.57Å; D178-W218 VanDerWaalsContact N-CZ3 3.25Å; D178-W218 WeakPolarHBondContact O-CZ3 3.42Å; Y181-W218 HydrophobicContact CD1-CB 4.44Å; E216-W218 HydrophobicContact CB-CD2 4.26Å; E216-W218 HydrophobicContact CB-CH2 4.19Å; E216-W218 HydrophobicContact CB-CZ2 3.69Å; E216-W218 HydrophobicContact CG-CH2 4.12Å; E216-W218 HydrophobicContact CG-CZ2 3.53Å; E216-W218 PolarHBondContact O-N 2.93Å; E216-W218 VanDerWaalsContact O-N 3.1Å; W218-I220 PolarHBondContact O-N 3.4Å
219	H	96.9	Very high	76.9	Confident	6 Å²	6	52 Å²	52	3%	0.028	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	99.8	-171.6	-172.3	113	0	0	0	110.1	E154 H155 D162 R202 Y203 E216	E154-H219 IonicContact OE2-CD2 2.69Å; E154-H219 IonicContact OE2-CE1 3.24Å; E154-H219 IonicContact OE2-NE2 2.66Å; E154-H219 PolarHBondContact OE2-NE2 3.23Å; H155-H219 AromaticContact CD2-CE1 3.91Å; H155-H219 AromaticContact NE2-CE1 3.54Å; H155-H219 AromaticContact NE2-ND1 3.68Å; D162-H219 IonicContact OD1-CG 2.82Å; D162-H219 IonicContact OD1-ND1 3.85Å; D162-H219 PolarHBondContact OD1-ND1 2.86Å; R202-H219 WeakPolarHBondContact CB-CD2 3.13Å; R202-H219 PolarHBondContact N-O 3.19Å; Y203-H219 HydrophobicContact CD2-CB 3.97Å; Y203-H219 AromaticContact CD2-CG 3.84Å; Y203-H219 HydrophobicContact CE2-CB 4.2Å; Y203-H219 AromaticContact CE2-CD2 3.65Å; Y203-H219 AromaticContact CE2-CE1 3.73Å; Y203-H219 AromaticContact CE2-CG 3.56Å; Y203-H219 AromaticContact CE2-ND1 3.61Å; Y203-H219 AromaticContact CE2-NE2 3.71Å; E216-H219 HydrophobicContact CB-CB 4.02Å; E216-H219 PolarHBondContact O-N 3.11Å; E216-H219 IonicContact OE2-ND1 2.92Å
220	I	96.6	Very high	74.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.7	173.7	61.7	168	0	0	0	111.2	Y91 F94 A160 I161 V163 I190 F199 I200 I201 W218	Y91-I220 HydrophobicContact CD2-CD1 4.34Å; Y91-I220 HydrophobicContact CE2-CD1 4.16Å; F94-I220 HydrophobicContact CD1-CD1 4.34Å; F94-I220 HydrophobicContact CE1-CD1 3.94Å; A160-I220 WeakPolarHBondContact CA-O 3.39Å; I161-I220 HydrophobicContact CB-CD1 4.22Å; I161-I220 HydrophobicContact CB-CG1 3.89Å; I161-I220 PolarHBondContact N-O 2.77Å; I161-I220 WeakPolarHBondContact O-CG1 3.5Å; I161-I220 PolarHBondContact O-N 2.8Å; V163-I220 HydrophobicContact CG1-CD1 3.78Å; V163-I220 HydrophobicContact CG1-CG1 3.93Å; V163-I220 HydrophobicContact CG1-CG2 4.11Å; I190-I220 HydrophobicContact CG2-CG2 4.09Å; F199-I220 HydrophobicContact CB-CB 4.31Å; F199-I220 HydrophobicContact CB-CD1 4.36Å; F199-I220 HydrophobicContact CD1-CB 4.31Å; F199-I220 HydrophobicContact CD1-CD1 3.74Å; F199-I220 HydrophobicContact CD1-CG1 4.14Å; F199-I220 HydrophobicContact CE1-CD1 4.22Å; F199-I220 HydrophobicContact CG-CD1 4.06Å; I200-I220 CarbonylContact O-C 3.48Å; I200-I220 VanDerWaalsContact O-CA 3.27Å; I200-I220 WeakPolarHBondContact O-CA 3.33Å; I201-I220 HydrophobicContact CD1-CG2 3.73Å; W218-I220 PolarHBondContact O-N 3.4Å
221	R	95.7	Very high	72.8	Confident	6 Å²	6	45.2 Å²	45.2	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128	178.1	170.4	60.8	-166.5	-93.7	0.4	109.9	N54 V56 E154 L159 F199 I200 R202 V223	N54-R221 PolarHBondContact O-NH2 3.42Å; V56-R221 PolarHBondContact O-NH1 2.86Å; V56-R221 PolarHBondContact O-NH2 3.25Å; E154-R221 IonicContact OE1-CZ 3.44Å; E154-R221 IonicContact OE1-NH1 3.11Å; E154-R221 PolarHBondContact OE1-NH1 3.24Å; L159-R221 WeakPolarHBondContact O-CD 3.49Å; F199-R221 WeakPolarHBondContact CA-O 3.45Å; I200-R221 HydrophobicContact CG1-CB 4.26Å; I200-R221 PolarHBondContact N-O 3.44Å; I200-R221 PolarHBondContact O-N 2.86Å; R202-R221 HydrophobicContact CB-CB 3.95Å; R202-R221 HydrophobicContact CG-CB 4.15Å; R221-V223 HydrophobicContact CG-CG1 4.16Å; R221-V223 PolarHBondContact O-N 3.42Å
222	Y	94.3	Very high	70.8	Confident	14 Å²	14	47.4 Å²	47.4	6%	0.055	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.8	173.7	-170.8	-95.9	0	0	0	110.9	W53 N54 I87 D90 L159 G198 F199 V224	W53-Y222 HydrophobicContact CH2-CD1 4.14Å; W53-Y222 AromaticContact CH2-CE1 3.67Å; W53-Y222 HydrophobicContact CH2-CE1 3.67Å; W53-Y222 HydrophobicContact CZ2-CE1 4.34Å; W53-Y222 HydrophobicContact CZ3-CD1 4.37Å; W53-Y222 HydrophobicContact CZ3-CE1 4.34Å; N54-Y222 HydrophobicContact CB-CD1 4.31Å; N54-Y222 HydrophobicContact CB-CE1 4.4Å; I87-Y222 HydrophobicContact CB-CD1 4.41Å; I87-Y222 HydrophobicContact CB-CD2 4.05Å; I87-Y222 HydrophobicContact CB-CE2 4.34Å; I87-Y222 HydrophobicContact CB-CG 4.05Å; I87-Y222 HydrophobicContact CG2-CD1 3.37Å; I87-Y222 HydrophobicContact CG2-CD2 3.89Å; I87-Y222 HydrophobicContact CG2-CE1 3.73Å; I87-Y222 HydrophobicContact CG2-CE2 4.21Å; I87-Y222 HydrophobicContact CG2-CG 3.43Å; I87-Y222 VanDerWaalsContact CG2-CG 3.43Å; D90-Y222 HydrophobicContact CB-CE2 3.9Å; D90-Y222 WeakPolarHBondContact OD2-CE2 3.48Å; D90-Y222 PolarHBondContact OD2-OH 2.9Å; L159-Y222 PolarHBondContact O-N 2.74Å; G198-Y222 CarbonylContact O-C 3.59Å; G198-Y222 WeakPolarHBondContact O-CA 3.13Å; F199-Y222 HydrophobicContact CD1-CD2 4.21Å; F199-Y222 HydrophobicContact CD2-CD2 4.31Å; F199-Y222 AromaticContact CE1-CD2 3.83Å; F199-Y222 HydrophobicContact CE1-CD2 3.83Å; F199-Y222 HydrophobicContact CE1-CG 4.31Å; F199-Y222 AromaticContact CE2-CD2 3.92Å; F199-Y222 HydrophobicContact CE2-CD2 3.92Å; F199-Y222 HydrophobicContact CE2-CE2 4.43Å; F199-Y222 HydrophobicContact CG-CD2 4.43Å; F199-Y222 AromaticContact CZ-CD2 3.66Å; F199-Y222 HydrophobicContact CZ-CD2 3.66Å; F199-Y222 HydrophobicContact CZ-CE2 4.44Å; Y222-V224 HydrophobicContact CD1-CG2 4.46Å; Y222-V224 HydrophobicContact CE1-CG2 3.42Å; Y222-V224 VanDerWaalsContact CE1-CG2 3.42Å; Y222-V224 VanDerWaalsContact OH-CG2 3.23Å; Y222-V224 WeakPolarHBondContact OH-CG2 3.24Å
223	V	83.2	Confident	68.6	Low	16 Å²	16	50.6 Å²	50.6	10%	0.097	28%	0.282	C	S	.	.			trans	-143.4	108.7	173.1	-70.6	0	0	0	0	107.8	L55 G198 I200 R221 I225	L55-V223 HydrophobicContact CD2-CG1 4.46Å; G198-V223 CarbonylContact O-C 3.57Å; G198-V223 PolarHBondContact O-N 3.28Å; I200-V223 HydrophobicContact CB-CG2 4.23Å; I200-V223 HydrophobicContact CD1-CG2 3.79Å; I200-V223 HydrophobicContact CG1-CG2 3.71Å; I200-V223 HydrophobicContact CG2-CG2 3.57Å; R221-V223 HydrophobicContact CG-CG1 4.16Å; R221-V223 PolarHBondContact O-N 3.42Å; V223-I225 VanDerWaalsContact C-N 3.29Å; V223-I225 HydrophobicContact CB-CD1 4.11Å; V223-I225 HydrophobicContact CB-CG1 3.98Å; V223-I225 HydrophobicContact CG2-CD1 3.57Å; V223-I225 HydrophobicContact CG2-CG1 3.84Å; V223-I225 PolarHBondContact O-N 2.85Å
224	V	63.6	Low	66.7	Low	76 Å²	76	52.8 Å²	52.8	46%	0.461	29%	0.291	S	S	.	.			trans	-65.3	95.3	167.5	-173.9	0	0	0	0	108.8	N54 Y222	N54-V224 WeakPolarHBondContact ND2-CB 3.34Å; N54-V224 PolarHBondContact ND2-N 3.04Å; Y222-V224 HydrophobicContact CD1-CG2 4.46Å; Y222-V224 HydrophobicContact CE1-CG2 3.42Å; Y222-V224 VanDerWaalsContact CE1-CG2 3.42Å; Y222-V224 VanDerWaalsContact OH-CG2 3.23Å; Y222-V224 WeakPolarHBondContact OH-CG2 3.24Å
225	I	50	Low	64.2	Low	56 Å²	56	53.5 Å²	53.5	29%	0.287	30%	0.295	S	S	.	.			trans	-112	120.4	168.4	-52	173.9	0	0	0	104.6	V223 F229	V223-I225 VanDerWaalsContact C-N 3.29Å; V223-I225 HydrophobicContact CB-CD1 4.11Å; V223-I225 HydrophobicContact CB-CG1 3.98Å; V223-I225 HydrophobicContact CG2-CD1 3.57Å; V223-I225 HydrophobicContact CG2-CG1 3.84Å; V223-I225 PolarHBondContact O-N 2.85Å; I225-F229 HydrophobicContact CB-CB 4.32Å; I225-F229 HydrophobicContact CD1-CD1 4.15Å; I225-F229 HydrophobicContact CD1-CE1 4.27Å; I225-F229 HydrophobicContact CG2-CB 3.43Å; I225-F229 VanDerWaalsContact CG2-CB 3.43Å; I225-F229 HydrophobicContact CG2-CD1 4.11Å; I225-F229 HydrophobicContact CG2-CD2 4.19Å; I225-F229 HydrophobicContact CG2-CG 3.68Å
226	G	45.1	Very low	61.5	Low	51 Å²	51	58.7 Å²	58.7	53%	0.526	33%	0.326	S	S	.	.			trans	-49.4	148.5	-174.3	0	0	0	0	0	112.8	A228 F229	G226-A228 PolarHBondContact O-N 2.98Å; G226-F229 PolarHBondContact O-N 3.22Å
227	L	36.2	Very low	58.6	Low	126 Å²	126	61.4 Å²	61.4	66%	0.66	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	-18.4	-176.7	-81	158.7	0	0	0	116.3	F229	L227-F229 VanDerWaalsContact C-N 3.33Å; L227-F229 PolarHBondContact O-N 3.13Å
228	A	35.8	Very low	55.6	Low	51 Å²	51	69 Å²	69	42%	0.421	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.9	174.1	0	0	0	0	0	114.7	G226	G226-A228 PolarHBondContact O-N 2.98Å
229	F	40.3	Very low	52.5	Low	121 Å²	121	74.1 Å²	74.1	53%	0.531	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-24.8	-176.6	-163.9	-103.2	0	0	0	113.7	I225 G226 L227	I225-F229 HydrophobicContact CB-CB 4.32Å; I225-F229 HydrophobicContact CD1-CD1 4.15Å; I225-F229 HydrophobicContact CD1-CE1 4.27Å; I225-F229 HydrophobicContact CG2-CB 3.43Å; I225-F229 VanDerWaalsContact CG2-CB 3.43Å; I225-F229 HydrophobicContact CG2-CD1 4.11Å; I225-F229 HydrophobicContact CG2-CD2 4.19Å; I225-F229 HydrophobicContact CG2-CG 3.68Å; G226-F229 PolarHBondContact O-N 3.22Å; L227-F229 VanDerWaalsContact C-N 3.33Å; L227-F229 PolarHBondContact O-N 3.13Å
230	V	38.6	Very low	49.5	Very low	10 Å²	10	77.4 Å²	77.4	6%	0.061	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-33.4	-174.1	178.3	0	0	0	0	113	P195 K196	P195-V230 VanDerWaalsContact C-CG2 3.48Å; P195-V230 HydrophobicContact CB-CB 4.02Å; P195-V230 HydrophobicContact CB-CG1 3.73Å; P195-V230 HydrophobicContact CB-CG2 3.53Å; P195-V230 WeakPolarHBondContact O-CG2 3.49Å; K196-V230 HydrophobicContact CG-CG1 3.88Å
231	F	39.3	Very low	46.6	Very low	98 Å²	98	84.6 Å²	84.6	43%	0.43	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-78.3	-22.7	-173.4	-81.6	-90.5	0	0	0	114.3	L233 K470	F231-L233 PolarHBondContact O-N 3.07Å; F231-K470 VanDerWaalsContact CG-NZ 3.27Å
232	S	40.3	Very low	43.5	Very low	68 Å²	68	89.2 Å²	89.2	48%	0.476	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-70.8	-6.5	-178.6	-75.5	0	0	0	0	114.9
233	L	37.8	Very low	40.6	Very low	122 Å²	122	96.7 Å²	96.7	64%	0.639	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-97.9	-14.8	-179.6	-85.9	150.2	0	0	0	114.6	F231	F231-L233 PolarHBondContact O-N 3.07Å
234	H	43.8	Very low	38.2	Very low	76 Å²	76	105.2 Å²	105.2	35%	0.352	61%	0.609	S	S	.	*	S	Bend	trans	-99.5	-12.6	-166.9	-82.4	59.4	0	0	0	116.9	E192 L236	E192-H234 VanDerWaalsContact C-CE1 3.48Å; E192-H234 WeakPolarHBondContact CA-CE1 3.37Å; E192-H234 WeakPolarHBondContact CA-NE2 3.3Å; E192-H234 WeakPolarHBondContact CB-NE2 3.38Å; E192-H234 WeakPolarHBondContact CG-NE2 3.45Å; E192-H234 PolarHBondContact O-CE1 2.76Å; E192-H234 PolarHBondContact O-NE2 3.15Å; H234-L236 VanDerWaalsContact C-N 3.27Å; H234-L236 PolarHBondContact O-N 3.29Å; H234-L236 VanDerWaalsContact O-N 3.12Å
235	T	36.4	Very low	36.8	Very low	105 Å²	105	106 Å²	106	64%	0.644	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	17.6	-165.3	49.4	0	0	0	0	115.5
236	L	34.4	Very low	35.8	Very low	163 Å²	163	112.6 Å²	112.6	85%	0.853	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	7.1	-168.3	-87.7	161.4	0	0	0	116.7	H234	H234-L236 VanDerWaalsContact C-N 3.27Å; H234-L236 PolarHBondContact O-N 3.29Å; H234-L236 VanDerWaalsContact O-N 3.12Å
237	S	31.6	Very low	35.2	Very low	102 Å²	102	120 Å²	120	71%	0.713	67%	0.667	S	S	*	*	S	Bend	trans	-144.2	109.9	-174.3	-157.6	0	0	0	0	115.9
238	N	30.8	Very low	35.4	Very low	162 Å²	162	119 Å²	119	87%	0.866	66%	0.659	S	S	*	*			trans	84.1	128.4	152.4	-76.6	-11.5	0	0	0	123.7
239	S	32.4	Very low	36.5	Very low	128 Å²	128	122.2 Å²	122.2	90%	0.895	67%	0.673	S	S	*	*			trans	-158.1	141.3	153.3	55.7	0	0	0	0	112.9
240	G	33.1	Very low	37.8	Very low	74 Å²	74	119.2 Å²	119.2	76%	0.763	66%	0.662	S	S	*	*			trans	166.8	132	157	0	0	0	0	0	116.8
241	V	35	Very low	39.8	Very low	151 Å²	151	121.6 Å²	121.6	92%	0.915	68%	0.677	S	S	*	*				168	137.1	124.3	174.5	0	0	0	0	112.4
242	E	32	Very low	41.9	Very low	104 Å²	104	124.9 Å²	124.9	49%	0.486	69%	0.686	S	S	.	*			trans	-110.2	178.6	-175.4	-69.7	-179	148.3	0	0	115.1	T410	E242-T410 PolarHBondContact OE1-OG1 3.3Å; E242-T410 WeakPolarHBondContact OE2-CG2 3.5Å
243	N	33.3	Very low	43.7	Very low	170 Å²	170	125 Å²	125	91%	0.909	68%	0.68	S	S	*	*			trans	-161	156.4	155.3	-85.9	-38	0	0	0	115.1
244	E	33.1	Very low	45.9	Very low	195 Å²	195	123.1 Å²	123.1	91%	0.911	67%	0.668	S	S	*	*			trans	-89.4	175.8	-154.4	-81.3	-164.1	163.8	0	0	123.4
245	P	33.1	Very low	48	Very low	92 Å²	92	119.5 Å²	119.5	60%	0.597	65%	0.651	S	S	*	*			trans	-125	-173.7	-160	32.2	-8.6	0	0	0	120.7	E411	P245-E411 HydrophobicContact CG-CB 4.21Å; P245-E411 HydrophobicContact CG-CG 3.68Å
246	Q	30.1	Very low	50.4	Low	195 Å²	195	115 Å²	115	91%	0.911	62%	0.623	S	S	*	*			trans	-110	158.7	-174.4	-91.8	-176.9	-25.7	0	0	116.2
247	E	32.7	Very low	52.8	Low	208 Å²	208	111.5 Å²	111.5	97%	0.972	61%	0.605	S	S	*	*			trans	-48	123.3	-168.7	-69.5	178.9	153.7	0	0	119.1
248	E	40.4	Very low	55.6	Low	104 Å²	104	110.8 Å²	110.8	49%	0.486	59%	0.59	S	S	.	*			trans	-120.5	147.8	176.3	-79.2	-170.2	146.2	0	0	112.8	L250 K414	E248-L250 PolarHBondContact O-N 3.01Å; E248-K414 IonicContact OE2-NZ 2.87Å; E248-K414 PolarHBondContact OE2-NZ 3.3Å
249	T	57	Low	58.5	Low	119 Å²	119	103.1 Å²	103.1	73%	0.73	55%	0.549	S	S	*	.			trans	-45.2	132.4	167	31.4	0	0	0	0	112.3	T251	T249-T251 PolarHBondContact O-N 3.01Å
250	L	69.6	Low	61.2	Low	57 Å²	57	97.9 Å²	97.9	30%	0.298	51%	0.514	S	S	.	.			trans	-51.5	113.2	-179	-165.7	79.2	0	0	0	110.7	E248 Q254 F255 W336	E248-L250 PolarHBondContact O-N 3.01Å; L250-Q254 HydrophobicContact CD1-CB 3.41Å; L250-Q254 VanDerWaalsContact CD1-CB 3.41Å; L250-Q254 HydrophobicContact CD1-CG 4.44Å; L250-Q254 HydrophobicContact CG-CB 3.85Å; L250-F255 HydrophobicContact CD2-CB 3.77Å; L250-F255 HydrophobicContact CD2-CD2 3.97Å; L250-F255 HydrophobicContact CD2-CG 4.4Å; L250-F255 HydrophobicContact CG-CB 4.41Å; L250-W336 HydrophobicContact CD2-CH2 3.62Å; L250-W336 HydrophobicContact CD2-CZ3 3.65Å
251	T	79	Confident	63.9	Low	60 Å²	60	98 Å²	98	37%	0.368	50%	0.501	S	S	.	.			trans	-67.5	159.1	175.6	65.7	0	0	0	0	110.3	T249 Q253 Q254 F255	T249-T251 PolarHBondContact O-N 3.01Å; T251-Q253 PolarHBondContact O-N 3.39Å; T251-Q254 PolarHBondContact O-N 3.47Å; T251-Q254 VanDerWaalsContact O-N 3.13Å; T251-Q254 WeakPolarHBondContact OG1-CB 3.45Å; T251-Q254 VanDerWaalsContact OG1-CG 3.24Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.48Å; T251-Q254 PolarHBondContact OG1-N 3.46Å; T251-Q254 VanDerWaalsContact OG1-N 3.14Å; T251-Q254 PolarHBondContact OG1-OE1 2.88Å; T251-Q254 VanDerWaalsContact OG1-OE1 3.1Å; T251-F255 PolarHBondContact O-N 2.92Å
252	R	83.7	Confident	66.6	Low	167 Å²	167	92.2 Å²	92.2	63%	0.63	46%	0.464	S	S	*	.	H	α-helix	trans	-53	-39.3	173.7	-70.6	-175.1	179.8	167.8	1.2	112.3	F255 I256 W287	R252-F255 PolarHBondContact O-N 3.02Å; R252-I256 PolarHBondContact O-N 3.12Å; R252-W287 HydrophobicContact CB-CD2 4.07Å; R252-W287 HydrophobicContact CB-CE3 3.54Å; R252-W287 HydrophobicContact CB-CH2 3.86Å; R252-W287 HydrophobicContact CB-CZ2 4.36Å; R252-W287 HydrophobicContact CB-CZ3 3.42Å; R252-W287 VanDerWaalsContact CB-CZ3 3.42Å; R252-W287 HydrophobicContact CG-CD2 3.61Å; R252-W287 HydrophobicContact CG-CE3 3.63Å; R252-W287 HydrophobicContact CG-CG 4.14Å; R252-W287 HydrophobicContact CG-CH2 4.12Å; R252-W287 HydrophobicContact CG-CZ2 4.11Å; R252-W287 HydrophobicContact CG-CZ3 3.89Å; R252-W287 WeakPolarHBondContact O-CZ3 3.43Å
253	Q	78.2	Confident	69.5	Low	72 Å²	72	87.2 Å²	87.2	34%	0.336	44%	0.441	S	S	.	.	H	α-helix	trans	-67.6	-47	177.4	-168.4	57.3	48.8	0	0	111.6	T251 F255 I256 D257 M400	T251-Q253 PolarHBondContact O-N 3.39Å; Q253-F255 VanDerWaalsContact C-N 3.26Å; Q253-F255 PolarHBondContact O-N 3.14Å; Q253-I256 CarbonylContact O-C 3.54Å; Q253-I256 PolarHBondContact O-N 3.04Å; Q253-D257 PolarHBondContact NE2-OD1 2.63Å; Q253-D257 WeakPolarHBondContact O-CB 3.45Å; Q253-D257 PolarHBondContact O-N 2.8Å; Q253-M400 VanDerWaalsContact NE2-CE 3.3Å
254	Q	83.7	Confident	72.1	Confident	82 Å²	82	83 Å²	83	38%	0.383	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-34.6	177.4	-71.7	166.2	-39.1	0	0	112.6	L250 T251 D257 Q258	L250-Q254 HydrophobicContact CD1-CB 3.41Å; L250-Q254 VanDerWaalsContact CD1-CB 3.41Å; L250-Q254 HydrophobicContact CD1-CG 4.44Å; L250-Q254 HydrophobicContact CG-CB 3.85Å; T251-Q254 PolarHBondContact O-N 3.47Å; T251-Q254 VanDerWaalsContact O-N 3.13Å; T251-Q254 WeakPolarHBondContact OG1-CB 3.45Å; T251-Q254 VanDerWaalsContact OG1-CG 3.24Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.48Å; T251-Q254 PolarHBondContact OG1-N 3.46Å; T251-Q254 VanDerWaalsContact OG1-N 3.14Å; T251-Q254 PolarHBondContact OG1-OE1 2.88Å; T251-Q254 VanDerWaalsContact OG1-OE1 3.1Å; Q254-D257 PolarHBondContact O-N 3.13Å; Q254-Q258 VanDerWaalsContact O-CB 3.24Å; Q254-Q258 WeakPolarHBondContact O-CB 3.33Å; Q254-Q258 PolarHBondContact O-N 3.47Å
255	F	88.7	Confident	74.7	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-61.1	-45.1	172.4	-179.6	-97.2	0	0	0	112	L250 T251 R252 Q253 L259 A281 I282 W287 G288 L299 W336	L250-F255 HydrophobicContact CD2-CB 3.77Å; L250-F255 HydrophobicContact CD2-CD2 3.97Å; L250-F255 HydrophobicContact CD2-CG 4.4Å; L250-F255 HydrophobicContact CG-CB 4.41Å; T251-F255 PolarHBondContact O-N 2.92Å; R252-F255 PolarHBondContact O-N 3.02Å; Q253-F255 VanDerWaalsContact C-N 3.26Å; Q253-F255 PolarHBondContact O-N 3.14Å; F255-L259 HydrophobicContact CD1-CD1 4.37Å; F255-L259 HydrophobicContact CD2-CD1 4.35Å; F255-L259 HydrophobicContact CE1-CD1 3.77Å; F255-L259 HydrophobicContact CE2-CD1 3.74Å; F255-L259 HydrophobicContact CZ-CD1 3.42Å; F255-L259 VanDerWaalsContact CZ-CD1 3.42Å; F255-L259 WeakPolarHBondContact O-CG 3.35Å; F255-L259 PolarHBondContact O-N 3.42Å; F255-A281 HydrophobicContact CE1-CB 4.41Å; F255-A281 HydrophobicContact CZ-CB 4.27Å; F255-I282 HydrophobicContact CD1-CG1 4.07Å; F255-I282 HydrophobicContact CE1-CG1 3.74Å; F255-W287 HydrophobicContact CB-CE3 4.41Å; F255-W287 AromaticContact CD1-CE3 3.96Å; F255-W287 HydrophobicContact CD1-CE3 3.96Å; F255-W287 WeakPolarHBondContact CD2-O 3.41Å; F255-W287 HydrophobicContact CG-CE3 4.49Å; F255-G288 VanDerWaalsContact CE2-CA 3.41Å; F255-G288 VanDerWaalsContact CE2-N 3.27Å; F255-L299 HydrophobicContact CE2-CD2 3.88Å; F255-L299 HydrophobicContact CZ-CD2 3.86Å; F255-W336 HydrophobicContact CD2-CE3 4.27Å; F255-W336 AromaticContact CD2-CH2 3.76Å; F255-W336 HydrophobicContact CD2-CH2 3.76Å; F255-W336 AromaticContact CD2-CZ3 3.61Å; F255-W336 HydrophobicContact CD2-CZ3 3.61Å; F255-W336 HydrophobicContact CE2-CD2 4.45Å; F255-W336 HydrophobicContact CE2-CE3 4.11Å; F255-W336 AromaticContact CE2-CH2 3.92Å; F255-W336 HydrophobicContact CE2-CH2 3.92Å; F255-W336 HydrophobicContact CE2-CZ2 4.26Å; F255-W336 AromaticContact CE2-CZ3 3.84Å; F255-W336 HydrophobicContact CE2-CZ3 3.84Å
256	I	86.6	Confident	77.4	Confident	11 Å²	11	75.4 Å²	75.4	6%	0.056	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-49.8	175.5	-69.3	166.2	0	0	0	110.3	R252 Q253 Q258 L259 A260 I282 W287 M397	R252-I256 PolarHBondContact O-N 3.12Å; Q253-I256 CarbonylContact O-C 3.54Å; Q253-I256 PolarHBondContact O-N 3.04Å; I256-Q258 PolarHBondContact O-N 3.13Å; I256-L259 PolarHBondContact O-N 3.02Å; I256-L259 VanDerWaalsContact O-N 3.08Å; I256-A260 HydrophobicContact CG2-CB 4.18Å; I256-A260 WeakPolarHBondContact O-CB 3.42Å; I256-A260 PolarHBondContact O-N 3.02Å; I256-I282 HydrophobicContact CD1-CD1 4.32Å; I256-I282 HydrophobicContact CG1-CD1 4.19Å; I256-W287 HydrophobicContact CD1-CH2 4.02Å; I256-W287 HydrophobicContact CD1-CZ3 3.6Å; I256-W287 HydrophobicContact CG1-CZ3 3.9Å; I256-M397 HydrophobicContact CB-CE 4.48Å; I256-M397 HydrophobicContact CD1-CE 4.42Å; I256-M397 HydrophobicContact CD1-CG 3.73Å; I256-M397 HydrophobicContact CD1-SD 3.78Å; I256-M397 HydrophobicContact CG1-CE 4.1Å; I256-M397 HydrophobicContact CG1-CG 4.37Å; I256-M397 HydrophobicContact CG1-SD 3.93Å; I256-M397 HydrophobicContact CG2-CE 3.66Å; I256-M397 HydrophobicContact CG2-CG 4.34Å; I256-M397 HydrophobicContact CG2-SD 4.4Å
257	D	84.6	Confident	80.2	Confident	89 Å²	89	69.5 Å²	69.5	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-34.9	-176.3	-66.4	-17.2	0	0	0	112.2	Q253 Q254 P261	Q253-D257 PolarHBondContact NE2-OD1 2.63Å; Q253-D257 WeakPolarHBondContact O-CB 3.45Å; Q253-D257 PolarHBondContact O-N 2.8Å; Q254-D257 PolarHBondContact O-N 3.13Å; D257-P261 WeakPolarHBondContact O-CD 3.11Å
258	Q	89.8	Confident	82.6	Confident	87 Å²	87	67.4 Å²	67.4	41%	0.407	33%	0.334	S	S	.	.	H	α-helix	trans	-66.5	-42.3	176	-175.8	175	-9	0	0	112	Q254 I256 W336	Q254-Q258 VanDerWaalsContact O-CB 3.24Å; Q254-Q258 WeakPolarHBondContact O-CB 3.33Å; Q254-Q258 PolarHBondContact O-N 3.47Å; I256-Q258 PolarHBondContact O-N 3.13Å; Q258-W336 VanDerWaalsContact OE1-CZ3 3.28Å
259	L	92.4	Very high	84.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-94.8	-27.7	-172.3	-61.3	-179.6	0	0	0	113.9	F255 I256 H262 A263 L278 A281 L299 W336 L340	F255-L259 HydrophobicContact CD1-CD1 4.37Å; F255-L259 HydrophobicContact CD2-CD1 4.35Å; F255-L259 HydrophobicContact CE1-CD1 3.77Å; F255-L259 HydrophobicContact CE2-CD1 3.74Å; F255-L259 HydrophobicContact CZ-CD1 3.42Å; F255-L259 VanDerWaalsContact CZ-CD1 3.42Å; F255-L259 WeakPolarHBondContact O-CG 3.35Å; F255-L259 PolarHBondContact O-N 3.42Å; I256-L259 PolarHBondContact O-N 3.02Å; I256-L259 VanDerWaalsContact O-N 3.08Å; L259-H262 PolarHBondContact O-N 3.31Å; L259-H262 VanDerWaalsContact O-N 3.14Å; L259-A263 PolarHBondContact O-N 3.16Å; L259-L278 HydrophobicContact CB-CD2 3.36Å; L259-L278 HydrophobicContact CD1-CD2 4.29Å; L259-L278 HydrophobicContact CG-CD2 4.47Å; L259-A281 HydrophobicContact CD1-CB 4.48Å; L259-L299 HydrophobicContact CD1-CD1 3.76Å; L259-L299 HydrophobicContact CD2-CD1 4.45Å; L259-W336 HydrophobicContact CD2-CB 3.51Å; L259-W336 HydrophobicContact CD2-CE3 4.09Å; L259-W336 HydrophobicContact CD2-CG 4.35Å; L259-W336 HydrophobicContact CG-CE3 4.44Å; L259-L340 HydrophobicContact CB-CD2 4.25Å; L259-L340 HydrophobicContact CD1-CD1 4.3Å; L259-L340 HydrophobicContact CD2-CD1 4.2Å; L259-L340 HydrophobicContact CD2-CD2 4.42Å
260	A	88.8	Confident	86.1	Confident	19 Å²	19	64.7 Å²	64.7	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-41.4	-173.9	0	0	0	0	0	113.9	I256 H262 A263 K264 L278	I256-A260 HydrophobicContact CG2-CB 4.18Å; I256-A260 WeakPolarHBondContact O-CB 3.42Å; I256-A260 PolarHBondContact O-N 3.02Å; A260-H262 VanDerWaalsContact C-N 3.31Å; A260-H262 PolarHBondContact O-N 3.23Å; A260-A263 PolarHBondContact O-N 3.16Å; A260-K264 WeakPolarHBondContact O-CB 2.83Å; A260-K264 WeakPolarHBondContact O-CG 3.47Å; A260-K264 PolarHBondContact O-N 2.81Å; A260-L278 HydrophobicContact CB-CD1 3.98Å
261	P	90	Very high	86.8	Confident	75 Å²	75	63.4 Å²	63.4	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-43	175.2	-25.7	35.4	0	0	0	112.5	D257 K264 Q265	D257-P261 WeakPolarHBondContact O-CD 3.11Å; P261-K264 PolarHBondContact O-N 2.83Å; P261-Q265 WeakPolarHBondContact O-CG 3.31Å; P261-Q265 PolarHBondContact O-N 3.33Å; P261-Q265 VanDerWaalsContact O-N 3.11Å
262	H	92.5	Very high	87.2	Confident	30 Å²	30	60.6 Å²	60.6	14%	0.139	31%	0.308	C	S	.	.	H	α-helix	trans	-74	-39.6	-179.5	-170	61.8	0	0	0	112	L259 A260 K264 Q265 L266 E337 D341	L259-H262 PolarHBondContact O-N 3.31Å; L259-H262 VanDerWaalsContact O-N 3.14Å; A260-H262 VanDerWaalsContact C-N 3.31Å; A260-H262 PolarHBondContact O-N 3.23Å; H262-K264 VanDerWaalsContact C-N 3.29Å; H262-K264 PolarHBondContact O-N 2.88Å; H262-Q265 PolarHBondContact ND1-OE1 3.49Å; H262-Q265 WeakPolarHBondContact O-CB 3.26Å; H262-Q265 PolarHBondContact O-N 3.4Å; H262-L266 WeakPolarHBondContact O-CG 3.21Å; H262-L266 PolarHBondContact O-N 2.8Å; H262-E337 HydrophobicContact CB-CG 4.03Å; H262-E337 PolarHBondContact NE2-O 2.76Å; H262-D341 IonicContact CE1-OD1 3.41Å; H262-D341 IonicContact NE2-OD1 3.77Å; H262-D341 PolarHBondContact NE2-OD1 3.01Å; H262-D341 VanDerWaalsContact NE2-OD1 3.17Å; H262-D341 IonicContact NE2-OD2 3.96Å
263	A	92.2	Very high	87.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-38.1	171.8	0	0	0	0	0	112.4	L259 A260 L266 Q267 P274 I277 L278 L340	L259-A263 PolarHBondContact O-N 3.16Å; A260-A263 PolarHBondContact O-N 3.16Å; A263-L266 PolarHBondContact O-N 2.84Å; A263-Q267 PolarHBondContact O-N 2.91Å; A263-P274 HydrophobicContact CB-CB 3.96Å; A263-I277 HydrophobicContact CB-CB 4.36Å; A263-I277 HydrophobicContact CB-CD1 4.32Å; A263-I277 HydrophobicContact CB-CG2 4.29Å; A263-L278 HydrophobicContact CB-CD1 3.76Å; A263-L278 HydrophobicContact CB-CD2 4.13Å; A263-L278 HydrophobicContact CB-CG 3.86Å; A263-L340 HydrophobicContact CB-CD2 4.28Å
264	K	88.8	Confident	88.1	Confident	82 Å²	82	51.1 Å²	51.1	36%	0.357	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-38.1	172.2	-75.7	179.1	179	-178.3	0	112.2	A260 P261 H262 Q267 Q268 P274 N404	A260-K264 WeakPolarHBondContact O-CB 2.83Å; A260-K264 WeakPolarHBondContact O-CG 3.47Å; A260-K264 PolarHBondContact O-N 2.81Å; P261-K264 PolarHBondContact O-N 2.83Å; H262-K264 VanDerWaalsContact C-N 3.29Å; H262-K264 PolarHBondContact O-N 2.88Å; K264-Q267 WeakPolarHBondContact O-CB 3.22Å; K264-Q267 PolarHBondContact O-N 2.99Å; K264-Q268 WeakPolarHBondContact O-CG 3.24Å; K264-Q268 PolarHBondContact O-N 3.04Å; K264-Q268 VanDerWaalsContact O-N 3.16Å; K264-P274 HydrophobicContact CG-CB 4.49Å; K264-P274 HydrophobicContact CG-CG 4.02Å; K264-N404 PolarHBondContact NZ-OD1 3.34Å
265	Q	87.9	Confident	88.3	Confident	120 Å²	120	47.5 Å²	47.5	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-63.6	-42.3	173.5	-71.1	172.8	-15	0	0	111.5	P261 H262 Q267 Q268 G269	P261-Q265 WeakPolarHBondContact O-CG 3.31Å; P261-Q265 PolarHBondContact O-N 3.33Å; P261-Q265 VanDerWaalsContact O-N 3.11Å; H262-Q265 PolarHBondContact ND1-OE1 3.49Å; H262-Q265 WeakPolarHBondContact O-CB 3.26Å; H262-Q265 PolarHBondContact O-N 3.4Å; Q265-Q267 VanDerWaalsContact C-N 3.35Å; Q265-Q267 PolarHBondContact O-N 3.41Å; Q265-Q268 WeakPolarHBondContact O-CB 3.45Å; Q265-Q268 PolarHBondContact O-N 3.36Å; Q265-Q268 VanDerWaalsContact O-N 3.16Å; Q265-G269 PolarHBondContact O-N 2.75Å
266	L	89.4	Confident	88.5	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-38.3	177	-70.4	167.8	0	0	0	112.4	H262 A263 Q268 G269 Y270 I277 L340 D341 T344	H262-L266 WeakPolarHBondContact O-CG 3.21Å; H262-L266 PolarHBondContact O-N 2.8Å; A263-L266 PolarHBondContact O-N 2.84Å; L266-Q268 VanDerWaalsContact C-N 3.33Å; L266-Q268 PolarHBondContact O-N 3.29Å; L266-G269 PolarHBondContact O-N 3.21Å; L266-Y270 HydrophobicContact CD2-CD2 3.75Å; L266-Y270 HydrophobicContact CD2-CE2 3.76Å; L266-Y270 WeakPolarHBondContact O-CB 3.47Å; L266-Y270 PolarHBondContact O-N 3.05Å; L266-I277 HydrophobicContact CB-CD1 3.87Å; L266-I277 HydrophobicContact CD1-CD1 4.17Å; L266-L340 HydrophobicContact CD1-CB 3.82Å; L266-L340 HydrophobicContact CD1-CD2 4.46Å; L266-D341 WeakPolarHBondContact CD2-OD1 3.33Å; L266-T344 HydrophobicContact CB-CG2 4.39Å; L266-T344 HydrophobicContact CD2-CG2 4.09Å
267	Q	88.6	Confident	88.7	Confident	72 Å²	72	47 Å²	47	34%	0.336	25%	0.254	S	S	.	.	H	α-helix	trans	-58.2	-46.3	170.9	-173.6	-173.5	20.2	0	0	111.6	A263 K264 Q265 G269 G271 V272 P274	A263-Q267 PolarHBondContact O-N 2.91Å; K264-Q267 WeakPolarHBondContact O-CB 3.22Å; K264-Q267 PolarHBondContact O-N 2.99Å; Q265-Q267 VanDerWaalsContact C-N 3.35Å; Q265-Q267 PolarHBondContact O-N 3.41Å; Q267-G269 VanDerWaalsContact C-N 3.32Å; Q267-G269 PolarHBondContact O-N 3.36Å; Q267-G271 VanDerWaalsContact O-CA 3.24Å; Q267-G271 WeakPolarHBondContact O-CA 3.49Å; Q267-G271 PolarHBondContact O-N 2.73Å; Q267-V272 VanDerWaalsContact CA-O 3.22Å; Q267-V272 WeakPolarHBondContact CA-O 3.41Å; Q267-V272 WeakPolarHBondContact CB-O 3.2Å; Q267-V272 WeakPolarHBondContact CG-O 3.48Å; Q267-P274 HydrophobicContact CB-CG 3.94Å; Q267-P274 HydrophobicContact CG-CG 4.41Å; Q267-P274 VanDerWaalsContact OE1-CD 3.24Å
268	Q	81.9	Confident	89.1	Confident	164 Å²	164	42.9 Å²	42.9	77%	0.766	23%	0.232	S	C	*	.	H	α-helix	trans	-65.3	-35.3	-179.5	-69.3	172.7	8.1	0	0	112.5	K264 Q265 L266	K264-Q268 WeakPolarHBondContact O-CG 3.24Å; K264-Q268 PolarHBondContact O-N 3.04Å; K264-Q268 VanDerWaalsContact O-N 3.16Å; Q265-Q268 WeakPolarHBondContact O-CB 3.45Å; Q265-Q268 PolarHBondContact O-N 3.36Å; Q265-Q268 VanDerWaalsContact O-N 3.16Å; L266-Q268 VanDerWaalsContact C-N 3.33Å; L266-Q268 PolarHBondContact O-N 3.29Å
269	G	81.8	Confident	89.1	Confident	59 Å²	59	38.9 Å²	38.9	61%	0.608	22%	0.215	S	C	*	.	H	α-helix	trans	-81.5	-38.8	180	0	0	0	0	0	114.4	Q265 L266 Q267	Q265-G269 PolarHBondContact O-N 2.75Å; L266-G269 PolarHBondContact O-N 3.21Å; Q267-G269 VanDerWaalsContact C-N 3.32Å; Q267-G269 PolarHBondContact O-N 3.36Å
270	Y	89.8	Confident	89.1	Confident	106 Å²	106	38.9 Å²	38.9	42%	0.416	22%	0.215	S	C	.	.	H	α-helix	trans	-127.3	-11.3	-165	-60.4	-66	0	0	0	114.7	L266 T344 M345 V348	L266-Y270 HydrophobicContact CD2-CD2 3.75Å; L266-Y270 HydrophobicContact CD2-CE2 3.76Å; L266-Y270 WeakPolarHBondContact O-CB 3.47Å; L266-Y270 PolarHBondContact O-N 3.05Å; Y270-T344 HydrophobicContact CD2-CG2 3.66Å; Y270-T344 HydrophobicContact CE2-CG2 4.46Å; Y270-T344 HydrophobicContact CG-CG2 3.96Å; Y270-M345 HydrophobicContact CD1-SD 4.46Å; Y270-M345 HydrophobicContact CE1-SD 3.83Å; Y270-M345 HydrophobicContact CE2-SD 4.4Å; Y270-V348 HydrophobicContact CD1-CB 4.48Å; Y270-V348 HydrophobicContact CD1-CG1 4.19Å; Y270-V348 HydrophobicContact CD1-CG2 3.55Å; Y270-V348 HydrophobicContact CE1-CG2 4.4Å; Y270-V348 HydrophobicContact CG-CG2 3.74Å
271	G	84.1	Confident	89.3	Confident	31 Å²	31	38 Å²	38	32%	0.32	21%	0.207	S	C	.	.			trans	86.7	-3.4	176.4	0	0	0	0	0	115.9	Q267 L273	Q267-G271 VanDerWaalsContact O-CA 3.24Å; Q267-G271 WeakPolarHBondContact O-CA 3.49Å; Q267-G271 PolarHBondContact O-N 2.73Å; G271-L273 PolarHBondContact O-N 2.79Å
272	V	87.5	Confident	89.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.			trans	-73.2	126.7	178.3	-172.9	0	0	0	0	110.1	Q267 I277 T344 F347 L362	Q267-V272 VanDerWaalsContact CA-O 3.22Å; Q267-V272 WeakPolarHBondContact CA-O 3.41Å; Q267-V272 WeakPolarHBondContact CB-O 3.2Å; Q267-V272 WeakPolarHBondContact CG-O 3.48Å; V272-I277 HydrophobicContact CB-CD1 4.12Å; V272-I277 HydrophobicContact CB-CG1 4.28Å; V272-I277 HydrophobicContact CG1-CD1 4Å; V272-I277 HydrophobicContact CG1-CG1 3.58Å; V272-T344 HydrophobicContact CG2-CG2 4Å; V272-F347 HydrophobicContact CB-CD2 4.5Å; V272-F347 HydrophobicContact CG1-CD2 3.78Å; V272-F347 HydrophobicContact CG1-CE2 4.09Å; V272-F347 HydrophobicContact CG2-CB 4.08Å; V272-F347 HydrophobicContact CG2-CD2 3.85Å; V272-F347 HydrophobicContact CG2-CG 4.45Å; V272-L362 HydrophobicContact CG2-CD2 3.51Å
273	L	90	Very high	89.1	Confident	21 Å²	21	36.6 Å²	36.6	11%	0.11	20%	0.196	C	C	.	.			trans	-64.1	134.1	-178.6	-63	177.3	0	0	0	111.6	G271 S275 I276 I277 D366 A370	G271-L273 PolarHBondContact O-N 2.79Å; L273-S275 PolarHBondContact O-N 3Å; L273-I276 HydrophobicContact CB-CG1 4.16Å; L273-I276 WeakPolarHBondContact O-CB 3.37Å; L273-I276 PolarHBondContact O-N 3.34Å; L273-I277 PolarHBondContact O-N 3.2Å; L273-D366 WeakPolarHBondContact CD1-O 3.13Å; L273-A370 HydrophobicContact CD1-CB 4.18Å
274	P	90.2	Very high	88.9	Confident	20 Å²	20	40.4 Å²	40.4	13%	0.13	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-35.3	179.4	-26.7	35.5	0	0	0	112.6	A263 K264 Q267 I276 I277 L278	A263-P274 HydrophobicContact CB-CB 3.96Å; K264-P274 HydrophobicContact CG-CB 4.49Å; K264-P274 HydrophobicContact CG-CG 4.02Å; Q267-P274 HydrophobicContact CB-CG 3.94Å; Q267-P274 HydrophobicContact CG-CG 4.41Å; Q267-P274 VanDerWaalsContact OE1-CD 3.24Å; P274-I276 PolarHBondContact O-N 3.48Å; P274-I277 PolarHBondContact O-N 2.95Å; P274-L278 HydrophobicContact CB-CD1 4.17Å; P274-L278 VanDerWaalsContact O-CB 3.25Å; P274-L278 WeakPolarHBondContact O-CB 3.37Å; P274-L278 WeakPolarHBondContact O-CD1 3.5Å; P274-L278 WeakPolarHBondContact O-CG 3.47Å; P274-L278 PolarHBondContact O-N 2.87Å
275	S	89	Confident	89	Confident	6 Å²	6	36.5 Å²	36.5	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-33.1	174.8	28	0	0	0	0	113.1	L273 G279 V394 D398	L273-S275 PolarHBondContact O-N 3Å; S275-G279 WeakPolarHBondContact O-CA 3.44Å; S275-G279 PolarHBondContact O-N 3.24Å; S275-V394 WeakPolarHBondContact O-CG2 3.48Å; S275-D398 VanDerWaalsContact CB-OD1 3.31Å; S275-D398 WeakPolarHBondContact CB-OD1 3.37Å; S275-D398 PolarHBondContact OG-OD1 3.26Å; S275-D398 VanDerWaalsContact OG-OD1 3.13Å
276	I	91.7	Very high	88.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-76.6	-49.4	176	-64.1	-63.5	0	0	0	111.3	L273 P274 L278 G279 Q280 V361 A370 A371 L374 I389	L273-I276 HydrophobicContact CB-CG1 4.16Å; L273-I276 WeakPolarHBondContact O-CB 3.37Å; L273-I276 PolarHBondContact O-N 3.34Å; P274-I276 PolarHBondContact O-N 3.48Å; I276-L278 VanDerWaalsContact C-N 3.3Å; I276-L278 PolarHBondContact O-N 3.35Å; I276-G279 PolarHBondContact O-N 3.27Å; I276-Q280 WeakPolarHBondContact O-CB 3.27Å; I276-Q280 WeakPolarHBondContact O-CG 3.07Å; I276-Q280 PolarHBondContact O-N 3Å; I276-V361 HydrophobicContact CG2-CG1 4.48Å; I276-A370 HydrophobicContact CD1-CB 3.66Å; I276-A370 HydrophobicContact CG1-CB 3.51Å; I276-A371 HydrophobicContact CD1-CB 4.02Å; I276-L374 HydrophobicContact CG2-CD1 3.65Å; I276-I389 HydrophobicContact CD1-CG2 3.98Å
277	I	92.6	Very high	88.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.1	-49.9	179	-59.5	176.9	0	0	0	109.9	A263 L266 V272 L273 P274 A281 F300 L340	A263-I277 HydrophobicContact CB-CB 4.36Å; A263-I277 HydrophobicContact CB-CD1 4.32Å; A263-I277 HydrophobicContact CB-CG2 4.29Å; L266-I277 HydrophobicContact CB-CD1 3.87Å; L266-I277 HydrophobicContact CD1-CD1 4.17Å; V272-I277 HydrophobicContact CB-CD1 4.12Å; V272-I277 HydrophobicContact CB-CG1 4.28Å; V272-I277 HydrophobicContact CG1-CD1 4Å; V272-I277 HydrophobicContact CG1-CG1 3.58Å; L273-I277 PolarHBondContact O-N 3.2Å; P274-I277 PolarHBondContact O-N 2.95Å; I277-A281 WeakPolarHBondContact O-CB 3.39Å; I277-A281 PolarHBondContact O-N 3.24Å; I277-F300 HydrophobicContact CG2-CZ 4.43Å; I277-L340 HydrophobicContact CG2-CB 4.45Å; I277-L340 HydrophobicContact CG2-CD2 3.77Å; I277-L340 HydrophobicContact CG2-CG 3.61Å
278	L	91.3	Very high	88.9	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-76.2	-35.7	-175.7	-62.5	162.3	0	0	0	111.5	L259 A260 A263 P274 I276 A281 I282 M397	L259-L278 HydrophobicContact CB-CD2 3.36Å; L259-L278 HydrophobicContact CD1-CD2 4.29Å; L259-L278 HydrophobicContact CG-CD2 4.47Å; A260-L278 HydrophobicContact CB-CD1 3.98Å; A263-L278 HydrophobicContact CB-CD1 3.76Å; A263-L278 HydrophobicContact CB-CD2 4.13Å; A263-L278 HydrophobicContact CB-CG 3.86Å; P274-L278 HydrophobicContact CB-CD1 4.17Å; P274-L278 VanDerWaalsContact O-CB 3.25Å; P274-L278 WeakPolarHBondContact O-CB 3.37Å; P274-L278 WeakPolarHBondContact O-CD1 3.5Å; P274-L278 WeakPolarHBondContact O-CG 3.47Å; P274-L278 PolarHBondContact O-N 2.87Å; I276-L278 VanDerWaalsContact C-N 3.3Å; I276-L278 PolarHBondContact O-N 3.35Å; L278-A281 PolarHBondContact O-N 3.5Å; L278-I282 WeakPolarHBondContact O-CB 3.44Å; L278-I282 WeakPolarHBondContact O-CD1 3.48Å; L278-I282 WeakPolarHBondContact O-CG1 3.36Å; L278-I282 PolarHBondContact O-N 3.1Å; L278-M397 HydrophobicContact CB-CE 3.19Å; L278-M397 HydrophobicContact CB-SD 3.89Å; L278-M397 HydrophobicContact CD1-CE 3.05Å; L278-M397 HydrophobicContact CD2-CE 4.4Å; L278-M397 HydrophobicContact CG-CE 3.62Å
279	G	90.1	Very high	89.1	Confident	3 Å²	3	30.1 Å²	30.1	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-46.4	173.1	0	0	0	0	0	112.8	S275 I276 I282 L283	S275-G279 WeakPolarHBondContact O-CA 3.44Å; S275-G279 PolarHBondContact O-N 3.24Å; I276-G279 PolarHBondContact O-N 3.27Å; G279-I282 PolarHBondContact O-N 3.45Å; G279-L283 WeakPolarHBondContact O-CB 3.49Å; G279-L283 PolarHBondContact O-N 2.85Å
280	Q	92.4	Very high	89.5	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-45.1	173.1	-68.9	-177.4	-81.4	0	0	110.8	I276 I282 L283 E284 F300 H343 F347 Y379 Y385 I389	I276-Q280 WeakPolarHBondContact O-CB 3.27Å; I276-Q280 WeakPolarHBondContact O-CG 3.07Å; I276-Q280 PolarHBondContact O-N 3Å; Q280-I282 VanDerWaalsContact C-N 3.3Å; Q280-I282 PolarHBondContact O-N 3.44Å; Q280-L283 PolarHBondContact O-N 3.08Å; Q280-E284 VanDerWaalsContact O-CB 3.31Å; Q280-E284 WeakPolarHBondContact O-CB 3.31Å; Q280-E284 WeakPolarHBondContact O-CG 3.48Å; Q280-E284 PolarHBondContact O-N 3.27Å; Q280-F300 HydrophobicContact CB-CD1 4.2Å; Q280-F300 HydrophobicContact CB-CE1 4Å; Q280-H343 PolarHBondContact OE1-CE1 3.04Å; Q280-F347 VanDerWaalsContact OE1-CZ 3.28Å; Q280-Y379 PolarHBondContact NE2-OH 2.93Å; Q280-Y385 PolarHBondContact NE2-OH 3.42Å; Q280-I389 HydrophobicContact CG-CD1 3.57Å; Q280-I389 HydrophobicContact CG-CG1 4.13Å
281	A	93	Very high	89.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-45.5	177.5	0	0	0	0	0	111.5	F255 L259 I277 L278 S285 L299 F300	F255-A281 HydrophobicContact CE1-CB 4.41Å; F255-A281 HydrophobicContact CZ-CB 4.27Å; L259-A281 HydrophobicContact CD1-CB 4.48Å; I277-A281 WeakPolarHBondContact O-CB 3.39Å; I277-A281 PolarHBondContact O-N 3.24Å; L278-A281 PolarHBondContact O-N 3.5Å; A281-S285 WeakPolarHBondContact O-CB 3.47Å; A281-S285 PolarHBondContact O-N 3.22Å; A281-S285 PolarHBondContact O-OG 2.96Å; A281-L299 HydrophobicContact CB-CB 4.47Å; A281-L299 HydrophobicContact CB-CD1 4.23Å; A281-F300 HydrophobicContact CB-CE1 3.81Å; A281-F300 HydrophobicContact CB-CZ 3.89Å
282	I	89.7	Confident	89.9	Confident	8 Å²	8	28.4 Å²	28.4	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-48.9	177.7	-72.2	165.7	0	0	0	111.1	F255 I256 L278 G279 Q280 N286 W287 P393 M397	F255-I282 HydrophobicContact CD1-CG1 4.07Å; F255-I282 HydrophobicContact CE1-CG1 3.74Å; I256-I282 HydrophobicContact CD1-CD1 4.32Å; I256-I282 HydrophobicContact CG1-CD1 4.19Å; L278-I282 WeakPolarHBondContact O-CB 3.44Å; L278-I282 WeakPolarHBondContact O-CD1 3.48Å; L278-I282 WeakPolarHBondContact O-CG1 3.36Å; L278-I282 PolarHBondContact O-N 3.1Å; G279-I282 PolarHBondContact O-N 3.45Å; Q280-I282 VanDerWaalsContact C-N 3.3Å; Q280-I282 PolarHBondContact O-N 3.44Å; I282-N286 VanDerWaalsContact O-CA 3.28Å; I282-N286 WeakPolarHBondContact O-CA 3.29Å; I282-N286 PolarHBondContact O-N 3.06Å; I282-W287 HydrophobicContact CD1-CE3 4.21Å; I282-W287 HydrophobicContact CD1-CH2 3.82Å; I282-W287 HydrophobicContact CD1-CZ2 4.32Å; I282-W287 HydrophobicContact CD1-CZ3 3.74Å; I282-W287 HydrophobicContact CG1-CD2 4.2Å; I282-W287 HydrophobicContact CG1-CE3 3.94Å; I282-W287 HydrophobicContact CG1-CH2 4.34Å; I282-W287 HydrophobicContact CG1-CZ3 4Å; I282-W287 HydrophobicContact CG2-CD2 3.77Å; I282-W287 HydrophobicContact CG2-CE3 4.32Å; I282-W287 HydrophobicContact CG2-CG 4.19Å; I282-W287 HydrophobicContact CG2-CH2 4.27Å; I282-W287 HydrophobicContact CG2-CZ2 3.69Å; I282-W287 PolarHBondContact O-N 2.87Å; I282-W287 VanDerWaalsContact O-N 3.16Å; I282-P393 HydrophobicContact CD1-CB 3.81Å; I282-P393 HydrophobicContact CG2-CB 3.98Å; I282-P393 HydrophobicContact CG2-CG 4.05Å; I282-M397 HydrophobicContact CD1-SD 3.68Å
283	L	88.9	Confident	90.1	Very high	68 Å²	68	28.4 Å²	28.4	36%	0.356	15%	0.146	S	C	.	.	H	α-helix	trans	-66.4	-49.8	-176.5	-178.3	62.9	0	0	0	112	G279 Q280 Y385 K388 I389	G279-L283 WeakPolarHBondContact O-CB 3.49Å; G279-L283 PolarHBondContact O-N 2.85Å; Q280-L283 PolarHBondContact O-N 3.08Å; L283-Y385 HydrophobicContact CD2-CD2 4.12Å; L283-Y385 HydrophobicContact CD2-CE2 3.7Å; L283-K388 HydrophobicContact CD1-CB 4.28Å; L283-K388 HydrophobicContact CD2-CB 3.86Å; L283-I389 HydrophobicContact CD2-CG1 4.37Å
284	E	89.1	Confident	90.2	Very high	79 Å²	79	29.6 Å²	29.6	37%	0.369	16%	0.155	S	C	.	.	H	α-helix	trans	-75.4	-32.6	-173.1	-58.6	-57.5	162.6	0	0	112.1	Q280 L299 Y385	Q280-E284 VanDerWaalsContact O-CB 3.31Å; Q280-E284 WeakPolarHBondContact O-CB 3.31Å; Q280-E284 WeakPolarHBondContact O-CG 3.48Å; Q280-E284 PolarHBondContact O-N 3.27Å; E284-L299 CarbonylContact C-O 3.54Å; E284-L299 VanDerWaalsContact CB-O 3.23Å; E284-L299 WeakPolarHBondContact CB-O 3.48Å; E284-Y385 VanDerWaalsContact OE1-CE2 3.3Å; E284-Y385 WeakPolarHBondContact OE1-CE2 3.33Å; E284-Y385 PolarHBondContact OE1-OH 3.28Å
285	S	90.6	Very high	90.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-98.7	-7.1	-177.2	75.7	0	0	0	0	114.7	A281 G288 Q289 S290 L299	A281-S285 WeakPolarHBondContact O-CB 3.47Å; A281-S285 PolarHBondContact O-N 3.22Å; A281-S285 PolarHBondContact O-OG 2.96Å; S285-G288 PolarHBondContact O-N 2.83Å; S285-G288 WeakPolarHBondContact OG-CA 3.32Å; S285-G288 PolarHBondContact OG-N 3.14Å; S285-Q289 PolarHBondContact O-N 2.83Å; S285-S290 VanDerWaalsContact O-CB 3.24Å; S285-S290 WeakPolarHBondContact O-CB 3.23Å; S285-S290 PolarHBondContact O-N 3.4Å; S285-S290 PolarHBondContact O-OG 2.88Å; S285-L299 VanDerWaalsContact CB-CD2 3.46Å; S285-L299 PolarHBondContact N-O 3.04Å; S285-L299 WeakPolarHBondContact OG-CD2 3.41Å
286	N	85.9	Confident	90.5	Very high	104 Å²	104	36.7 Å²	36.7	56%	0.556	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	60.4	-166.6	-175.4	36.4	0	0	0	111.4	I282 G288 Q289	I282-N286 VanDerWaalsContact O-CA 3.28Å; I282-N286 WeakPolarHBondContact O-CA 3.29Å; I282-N286 PolarHBondContact O-N 3.06Å; N286-G288 VanDerWaalsContact C-N 3.31Å; N286-G288 PolarHBondContact O-N 3.13Å; N286-Q289 WeakPolarHBondContact O-CB 3.39Å; N286-Q289 VanDerWaalsContact O-CG 3.28Å; N286-Q289 WeakPolarHBondContact O-CG 3.28Å; N286-Q289 PolarHBondContact O-N 3.22Å; N286-Q289 VanDerWaalsContact O-N 3.07Å
287	W	87.8	Confident	90.7	Very high	28 Å²	28	40.1 Å²	40.1	11%	0.106	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	39	-178.8	-58.3	85.7	0	0	0	114	R252 F255 I256 I282 Q289 P393	R252-W287 HydrophobicContact CB-CD2 4.07Å; R252-W287 HydrophobicContact CB-CE3 3.54Å; R252-W287 HydrophobicContact CB-CH2 3.86Å; R252-W287 HydrophobicContact CB-CZ2 4.36Å; R252-W287 HydrophobicContact CB-CZ3 3.42Å; R252-W287 VanDerWaalsContact CB-CZ3 3.42Å; R252-W287 HydrophobicContact CG-CD2 3.61Å; R252-W287 HydrophobicContact CG-CE3 3.63Å; R252-W287 HydrophobicContact CG-CG 4.14Å; R252-W287 HydrophobicContact CG-CH2 4.12Å; R252-W287 HydrophobicContact CG-CZ2 4.11Å; R252-W287 HydrophobicContact CG-CZ3 3.89Å; R252-W287 WeakPolarHBondContact O-CZ3 3.43Å; F255-W287 HydrophobicContact CB-CE3 4.41Å; F255-W287 AromaticContact CD1-CE3 3.96Å; F255-W287 HydrophobicContact CD1-CE3 3.96Å; F255-W287 WeakPolarHBondContact CD2-O 3.41Å; F255-W287 HydrophobicContact CG-CE3 4.49Å; I256-W287 HydrophobicContact CD1-CH2 4.02Å; I256-W287 HydrophobicContact CD1-CZ3 3.6Å; I256-W287 HydrophobicContact CG1-CZ3 3.9Å; I282-W287 HydrophobicContact CD1-CE3 4.21Å; I282-W287 HydrophobicContact CD1-CH2 3.82Å; I282-W287 HydrophobicContact CD1-CZ2 4.32Å; I282-W287 HydrophobicContact CD1-CZ3 3.74Å; I282-W287 HydrophobicContact CG1-CD2 4.2Å; I282-W287 HydrophobicContact CG1-CE3 3.94Å; I282-W287 HydrophobicContact CG1-CH2 4.34Å; I282-W287 HydrophobicContact CG1-CZ3 4Å; I282-W287 HydrophobicContact CG2-CD2 3.77Å; I282-W287 HydrophobicContact CG2-CE3 4.32Å; I282-W287 HydrophobicContact CG2-CG 4.19Å; I282-W287 HydrophobicContact CG2-CH2 4.27Å; I282-W287 HydrophobicContact CG2-CZ2 3.69Å; I282-W287 PolarHBondContact O-N 2.87Å; I282-W287 VanDerWaalsContact O-N 3.16Å; W287-Q289 PolarHBondContact O-N 3.14Å; W287-Q289 PolarHBondContact O-NE2 3Å; W287-P393 HydrophobicContact CH2-CB 3.93Å; W287-P393 HydrophobicContact CH2-CG 4.48Å; W287-P393 HydrophobicContact CZ2-CB 3.77Å; W287-P393 HydrophobicContact CZ2-CG 3.84Å
288	G	89.6	Confident	90.8	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	0.5	-177.9	0	0	0	0	0	114.6	F255 S285 N286 S294	F255-G288 VanDerWaalsContact CE2-CA 3.41Å; F255-G288 VanDerWaalsContact CE2-N 3.27Å; S285-G288 PolarHBondContact O-N 2.83Å; S285-G288 WeakPolarHBondContact OG-CA 3.32Å; S285-G288 PolarHBondContact OG-N 3.14Å; N286-G288 VanDerWaalsContact C-N 3.31Å; N286-G288 PolarHBondContact O-N 3.13Å; G288-S294 WeakPolarHBondContact O-CA 3.45Å; G288-S294 WeakPolarHBondContact O-CB 3.35Å; G288-S294 PolarHBondContact O-N 3.47Å
289	Q	86.7	Confident	91	Very high	95 Å²	95	40.1 Å²	40.1	44%	0.444	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.7	-171.8	-56.6	-61.4	-46.6	0	0	113.8	S285 N286 W287	S285-Q289 PolarHBondContact O-N 2.83Å; N286-Q289 WeakPolarHBondContact O-CB 3.39Å; N286-Q289 VanDerWaalsContact O-CG 3.28Å; N286-Q289 WeakPolarHBondContact O-CG 3.28Å; N286-Q289 PolarHBondContact O-N 3.22Å; N286-Q289 VanDerWaalsContact O-N 3.07Å; W287-Q289 PolarHBondContact O-N 3.14Å; W287-Q289 PolarHBondContact O-NE2 3Å
290	S	88.5	Confident	91.2	Very high	34 Å²	34	40.7 Å²	40.7	24%	0.238	20%	0.201	C	C	.	.	S	Bend	trans	-57.6	150.5	175.1	70.5	0	0	0	0	110.4	S285 L292 A293 S294	S285-S290 VanDerWaalsContact O-CB 3.24Å; S285-S290 WeakPolarHBondContact O-CB 3.23Å; S285-S290 PolarHBondContact O-N 3.4Å; S285-S290 PolarHBondContact O-OG 2.88Å; S290-L292 PolarHBondContact O-N 3.33Å; S290-A293 PolarHBondContact O-N 3.37Å; S290-A293 WeakPolarHBondContact OG-CB 3.02Å; S290-A293 PolarHBondContact OG-N 2.91Å; S290-S294 WeakPolarHBondContact O-CB 3.36Å; S290-S294 PolarHBondContact O-N 2.83Å; S290-S294 PolarHBondContact O-OG 2.87Å
291	Q	90.5	Very high	91.1	Very high	104 Å²	104	42.1 Å²	42.1	49%	0.486	22%	0.216	S	C	.	.	H	α-helix	trans	-55.1	-42.4	178.4	-175.5	-177	8.9	0	0	111.2	A293 S294 Q295 Y296	Q291-A293 PolarHBondContact O-N 2.98Å; Q291-S294 PolarHBondContact O-OG 3.06Å; Q291-Q295 HydrophobicContact CG-CG 4.41Å; Q291-Q295 WeakPolarHBondContact O-CB 3.25Å; Q291-Q295 PolarHBondContact O-N 3.36Å; Q291-Q295 VanDerWaalsContact O-N 3.07Å; Q291-Y296 HydrophobicContact CG-CE2 4.43Å
292	L	92.2	Very high	91	Very high	22 Å²	22	44 Å²	44	12%	0.115	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-42.6	-178.6	-173.3	60.7	0	0	0	112.2	S290 Y296 K297 N298 V311 L313 F330	S290-L292 PolarHBondContact O-N 3.33Å; L292-Y296 HydrophobicContact CD1-CD2 4.16Å; L292-Y296 CarbonylContact O-C 3.55Å; L292-Y296 WeakPolarHBondContact O-CA 3.39Å; L292-Y296 WeakPolarHBondContact O-CB 3.27Å; L292-Y296 PolarHBondContact O-N 3.39Å; L292-Y296 VanDerWaalsContact O-N 3.13Å; L292-K297 PolarHBondContact O-N 3.17Å; L292-N298 CarbonylContact C-O 3.51Å; L292-N298 HydrophobicContact CD1-CB 4.02Å; L292-N298 HydrophobicContact CD2-CB 4.29Å; L292-N298 HydrophobicContact CG-CB 3.83Å; L292-N298 PolarHBondContact O-N 3.19Å; L292-V311 HydrophobicContact CD1-CG1 4.1Å; L292-L313 HydrophobicContact CB-CD1 4.45Å; L292-L313 HydrophobicContact CD1-CD1 3.99Å; L292-F330 HydrophobicContact CD1-CB 3.56Å; L292-F330 HydrophobicContact CD1-CD2 4.46Å; L292-F330 HydrophobicContact CD1-CG 4Å; L292-F330 HydrophobicContact CD2-CB 4.03Å; L292-F330 HydrophobicContact CD2-CD1 3.58Å; L292-F330 HydrophobicContact CD2-CD2 4.37Å; L292-F330 HydrophobicContact CD2-CE1 4.08Å; L292-F330 HydrophobicContact CD2-CG 3.73Å; L292-F330 HydrophobicContact CG-CB 4.48Å
293	A	93.4	Very high	91.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-74	-47.1	178.1	0	0	0	0	0	113.5	S290 Q291 K297 N298 L299 W336	S290-A293 PolarHBondContact O-N 3.37Å; S290-A293 WeakPolarHBondContact OG-CB 3.02Å; S290-A293 PolarHBondContact OG-N 2.91Å; Q291-A293 PolarHBondContact O-N 2.98Å; A293-K297 WeakPolarHBondContact O-CA 3.43Å; A293-K297 PolarHBondContact O-N 3.43Å; A293-K297 VanDerWaalsContact O-N 3.11Å; A293-N298 WeakPolarHBondContact CA-O 3.34Å; A293-N298 PolarHBondContact N-O 3.38Å; A293-L299 HydrophobicContact CB-CD2 3.79Å; A293-W336 PolarHBondContact O-NE1 3.29Å
294	S	90.6	Very high	91.2	Very high	45 Å²	45	46.5 Å²	46.5	32%	0.315	24%	0.237	S	C	.	.	H	α-helix	trans	-68.1	-45.8	-174.5	54.8	0	0	0	0	111.7	G288 S290 Q291 K297	G288-S294 WeakPolarHBondContact O-CA 3.45Å; G288-S294 WeakPolarHBondContact O-CB 3.35Å; G288-S294 PolarHBondContact O-N 3.47Å; S290-S294 WeakPolarHBondContact O-CB 3.36Å; S290-S294 PolarHBondContact O-N 2.83Å; S290-S294 PolarHBondContact O-OG 2.87Å; Q291-S294 PolarHBondContact O-OG 3.06Å; S294-K297 PolarHBondContact O-NZ 3.34Å
295	Q	91.2	Very high	91	Very high	118 Å²	118	46.4 Å²	46.4	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-90.6	-35.9	-173.8	-59.5	-177.2	-0.7	0	0	113.4	Q291	Q291-Q295 HydrophobicContact CG-CG 4.41Å; Q291-Q295 WeakPolarHBondContact O-CB 3.25Å; Q291-Q295 PolarHBondContact O-N 3.36Å; Q291-Q295 VanDerWaalsContact O-N 3.07Å
296	Y	95.4	Very high	90.9	Very high	58 Å²	58	49.8 Å²	49.8	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-117.4	6	-172.3	-51.2	-76.7	0	0	0	113.7	Q291 L292 N298 V311 L313 V332 Y333	Q291-Y296 HydrophobicContact CG-CE2 4.43Å; L292-Y296 HydrophobicContact CD1-CD2 4.16Å; L292-Y296 CarbonylContact O-C 3.55Å; L292-Y296 WeakPolarHBondContact O-CA 3.39Å; L292-Y296 WeakPolarHBondContact O-CB 3.27Å; L292-Y296 PolarHBondContact O-N 3.39Å; L292-Y296 VanDerWaalsContact O-N 3.13Å; Y296-N298 PolarHBondContact O-N 3.21Å; Y296-V311 HydrophobicContact CD1-CB 4.06Å; Y296-V311 HydrophobicContact CD1-CG1 3.92Å; Y296-V311 HydrophobicContact CD1-CG2 4.39Å; Y296-V311 HydrophobicContact CD2-CG1 3.89Å; Y296-V311 HydrophobicContact CE1-CB 3.9Å; Y296-V311 HydrophobicContact CE1-CG1 4.14Å; Y296-V311 HydrophobicContact CE1-CG2 3.76Å; Y296-V311 HydrophobicContact CE2-CB 4.49Å; Y296-V311 HydrophobicContact CE2-CG1 4.09Å; Y296-V311 HydrophobicContact CE2-CG2 4.06Å; Y296-V311 HydrophobicContact CG-CB 4.43Å; Y296-V311 HydrophobicContact CG-CG1 3.78Å; Y296-L313 HydrophobicContact CD2-CD1 4.33Å; Y296-L313 HydrophobicContact CE2-CD1 4.08Å; Y296-L313 HydrophobicContact CE2-CD2 4.43Å; Y296-V332 HydrophobicContact CD1-CG1 4.27Å; Y296-V332 HydrophobicContact CD1-CG2 3.94Å; Y296-V332 HydrophobicContact CG-CG2 4.39Å; Y296-Y333 PolarHBondContact O-N 2.98Å
297	K	95.5	Very high	91	Very high	71 Å²	71	53.2 Å²	53.2	31%	0.309	30%	0.299	S	S	.	.			trans	56.9	21.5	175.8	-52	-53.7	-177.9	-164.2	0	114.8	L292 A293 S294 W336 S339	L292-K297 PolarHBondContact O-N 3.17Å; A293-K297 WeakPolarHBondContact O-CA 3.43Å; A293-K297 PolarHBondContact O-N 3.43Å; A293-K297 VanDerWaalsContact O-N 3.11Å; S294-K297 PolarHBondContact O-NZ 3.34Å; K297-W336 HydrophobicContact CD-CG 4.41Å; K297-S339 WeakPolarHBondContact O-CB 3.36Å
298	N	95.3	Very high	91.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.307	C	S	.	.			trans	-99.7	103.5	178	180	-14.2	0	0	0	109.6	L292 A293 Y296 F300 G301 I302 K331 Y333	L292-N298 CarbonylContact C-O 3.51Å; L292-N298 HydrophobicContact CD1-CB 4.02Å; L292-N298 HydrophobicContact CD2-CB 4.29Å; L292-N298 HydrophobicContact CG-CB 3.83Å; L292-N298 PolarHBondContact O-N 3.19Å; A293-N298 WeakPolarHBondContact CA-O 3.34Å; A293-N298 PolarHBondContact N-O 3.38Å; Y296-N298 PolarHBondContact O-N 3.21Å; N298-F300 PolarHBondContact OD1-N 2.83Å; N298-G301 PolarHBondContact OD1-N 3.29Å; N298-I302 PolarHBondContact ND2-N 3.24Å; N298-I302 PolarHBondContact ND2-O 3.18Å; N298-I302 PolarHBondContact OD1-N 3.16Å; N298-K331 WeakPolarHBondContact CB-O 3.39Å; N298-K331 PolarHBondContact ND2-O 2.95Å; N298-Y333 HydrophobicContact CB-CD2 3.67Å; N298-Y333 HydrophobicContact CB-CE2 3.67Å
299	L	94.8	Very high	91.3	Very high	2 Å²	2	59 Å²	59	1%	0.01	33%	0.334	C	S	.	.	S	Bend	trans	-81.2	-24.3	-173.5	-70.4	170.4	0	0	0	113.4	F255 L259 A281 E284 S285 A293 W336 S339 L340	F255-L299 HydrophobicContact CE2-CD2 3.88Å; F255-L299 HydrophobicContact CZ-CD2 3.86Å; L259-L299 HydrophobicContact CD1-CD1 3.76Å; L259-L299 HydrophobicContact CD2-CD1 4.45Å; A281-L299 HydrophobicContact CB-CB 4.47Å; A281-L299 HydrophobicContact CB-CD1 4.23Å; E284-L299 CarbonylContact C-O 3.54Å; E284-L299 VanDerWaalsContact CB-O 3.23Å; E284-L299 WeakPolarHBondContact CB-O 3.48Å; S285-L299 VanDerWaalsContact CB-CD2 3.46Å; S285-L299 PolarHBondContact N-O 3.04Å; S285-L299 WeakPolarHBondContact OG-CD2 3.41Å; A293-L299 HydrophobicContact CB-CD2 3.79Å; L299-W336 HydrophobicContact CD1-CB 3.73Å; L299-W336 HydrophobicContact CD1-CD2 4.46Å; L299-W336 HydrophobicContact CD1-CG 3.8Å; L299-W336 HydrophobicContact CD2-CD2 4.27Å; L299-W336 HydrophobicContact CD2-CG 4.15Å; L299-W336 HydrophobicContact CG-CB 4.39Å; L299-W336 HydrophobicContact CG-CG 4.03Å; L299-S339 PolarHBondContact N-OG 3.42Å; L299-S339 VanDerWaalsContact N-OG 3.08Å; L299-L340 HydrophobicContact CD1-CD1 3.34Å
300	F	94.3	Very high	91.6	Very high	16 Å²	16	59.9 Å²	59.9	7%	0.07	34%	0.336	C	S	.	.	S	Bend	trans	-116.7	9.9	-167.6	-49.1	-82.1	0	0	0	113.5	I277 Q280 A281 N298 I302 S339 L340 H343	I277-F300 HydrophobicContact CG2-CZ 4.43Å; Q280-F300 HydrophobicContact CB-CD1 4.2Å; Q280-F300 HydrophobicContact CB-CE1 4Å; A281-F300 HydrophobicContact CB-CE1 3.81Å; A281-F300 HydrophobicContact CB-CZ 3.89Å; N298-F300 PolarHBondContact OD1-N 2.83Å; F300-I302 VanDerWaalsContact C-N 3.31Å; F300-I302 HydrophobicContact CB-CD1 4.34Å; F300-I302 HydrophobicContact CB-CG1 4.15Å; F300-I302 PolarHBondContact O-N 3.07Å; F300-S339 WeakPolarHBondContact CD2-O 3.19Å; F300-S339 WeakPolarHBondContact CD2-OG 3.4Å; F300-S339 WeakPolarHBondContact CE2-O 3.35Å; F300-L340 HydrophobicContact CE2-CD1 3.89Å; F300-L340 HydrophobicContact CE2-CG 4.35Å; F300-L340 HydrophobicContact CZ-CD1 3.89Å; F300-L340 HydrophobicContact CZ-CG 4.21Å; F300-H343 HydrophobicContact CD1-CB 4.41Å; F300-H343 AromaticContact CD1-CD2 3.55Å; F300-H343 AromaticContact CD1-CG 3.77Å; F300-H343 AromaticContact CD1-NE2 3.75Å; F300-H343 HydrophobicContact CD2-CB 3.44Å; F300-H343 VanDerWaalsContact CD2-CB 3.44Å; F300-H343 AromaticContact CD2-CG 3.73Å; F300-H343 HydrophobicContact CE1-CB 4.42Å; F300-H343 AromaticContact CE1-CD2 3.99Å; F300-H343 AromaticContact CE1-CE1 3.81Å; F300-H343 AromaticContact CE1-CG 3.79Å; F300-H343 AromaticContact CE1-ND1 3.7Å; F300-H343 HydrophobicContact CE2-CB 3.48Å; F300-H343 VanDerWaalsContact CE2-CB 3.48Å; F300-H343 AromaticContact CE2-CG 3.78Å; F300-H343 HydrophobicContact CG-CB 3.93Å; F300-H343 AromaticContact CG-CD2 3.56Å; F300-H343 AromaticContact CG-CG 3.73Å; F300-H343 HydrophobicContact CZ-CB 3.99Å; F300-H343 AromaticContact CZ-CG 3.8Å; F300-H343 AromaticContact CZ-ND1 3.77Å
301	G	90.9	Very high	91.8	Very high	30 Å²	30	59.3 Å²	59.3	31%	0.309	33%	0.331	S	S	.	.			trans	68	25.9	179.5	0	0	0	0	0	114.6	N298 K303 F330	N298-G301 PolarHBondContact OD1-N 3.29Å; G301-K303 PolarHBondContact O-N 2.97Å; G301-F330 WeakPolarHBondContact O-CD1 3.49Å; G301-F330 WeakPolarHBondContact O-CE1 3.15Å
302	I	91.1	Very high	91.9	Very high	39 Å²	39	57.4 Å²	57.4	20%	0.2	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-65.3	125.9	-175.1	-64	171	0	0	0	110	N298 F300 K331 Y333 D342 H343	N298-I302 PolarHBondContact ND2-N 3.24Å; N298-I302 PolarHBondContact ND2-O 3.18Å; N298-I302 PolarHBondContact OD1-N 3.16Å; F300-I302 VanDerWaalsContact C-N 3.31Å; F300-I302 HydrophobicContact CB-CD1 4.34Å; F300-I302 HydrophobicContact CB-CG1 4.15Å; F300-I302 PolarHBondContact O-N 3.07Å; I302-K331 WeakPolarHBondContact O-CB 3.48Å; I302-K331 PolarHBondContact O-N 3.2Å; I302-Y333 WeakPolarHBondContact CB-OH 3.41Å; I302-Y333 VanDerWaalsContact CD1-OH 3.29Å; I302-Y333 WeakPolarHBondContact CD1-OH 3.24Å; I302-D342 HydrophobicContact CD1-CB 4.1Å; I302-H343 HydrophobicContact CD1-CB 4.25Å
303	K	90.1	Very high	91.7	Very high	107 Å²	107	57.7 Å²	57.7	47%	0.465	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-76	142.1	177.2	-67.3	-176.2	-179.1	174.5	0	110.8	G301 E317 D329	G301-K303 PolarHBondContact O-N 2.97Å; K303-E317 IonicContact NZ-OE1 3.3Å; K303-E317 PolarHBondContact NZ-OE1 2.88Å; K303-D329 CarbonylContact C-O 3.59Å; K303-D329 VanDerWaalsContact CA-O 3.26Å; K303-D329 WeakPolarHBondContact CA-O 3.38Å; K303-D329 WeakPolarHBondContact CB-O 3.39Å
304	A	91.4	Very high	91.2	Very high	22 Å²	22	64.7 Å²	64.7	18%	0.182	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-73.8	149.6	176.6	0	0	0	0	0	111.2	Q308 K310 D329 K331	A304-Q308 HydrophobicContact CB-CB 4.32Å; A304-K310 HydrophobicContact CB-CB 3.5Å; A304-K310 HydrophobicContact CB-CD 4.35Å; A304-D329 PolarHBondContact N-O 3.11Å; A304-K331 HydrophobicContact CB-CB 4.2Å
305	S	86.3	Confident	90.6	Very high	76 Å²	76	64.3 Å²	64.3	53%	0.531	36%	0.36	S	S	.	.			trans	-130.6	144.6	173.6	62.4	0	0	0	0	110.8	D307 Q308	S305-D307 PolarHBondContact O-N 3.36Å; S305-Q308 WeakPolarHBondContact O-CB 3.31Å; S305-Q308 WeakPolarHBondContact O-CG 3.46Å; S305-Q308 PolarHBondContact O-N 2.94Å; S305-Q308 PolarHBondContact O-OE1 3.32Å; S305-Q308 PolarHBondContact OG-OE1 2.85Å; S305-Q308 VanDerWaalsContact OG-OE1 3.1Å
306	G	87.5	Confident	89.8	Confident	72 Å²	72	65.3 Å²	65.3	74%	0.742	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-132.1	-178.8	0	0	0	0	0	112.8	Q308	G306-Q308 VanDerWaalsContact C-N 3.33Å
307	D	88.3	Confident	88.3	Confident	176 Å²	176	65.5 Å²	65.5	94%	0.941	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	16.3	-176.7	-59.5	-35.6	0	0	0	113.5	S305	S305-D307 PolarHBondContact O-N 3.36Å
308	Q	90.5	Very high	86.6	Confident	62 Å²	62	68.4 Å²	68.4	29%	0.29	38%	0.375	S	S	.	.	S	Bend	trans	-62	143.6	177.6	-72.5	171.6	-20.9	0	0	111.4	A304 S305 G306 K310	A304-Q308 HydrophobicContact CB-CB 4.32Å; S305-Q308 WeakPolarHBondContact O-CB 3.31Å; S305-Q308 WeakPolarHBondContact O-CG 3.46Å; S305-Q308 PolarHBondContact O-N 2.94Å; S305-Q308 PolarHBondContact O-OE1 3.32Å; S305-Q308 PolarHBondContact OG-OE1 2.85Å; S305-Q308 VanDerWaalsContact OG-OE1 3.1Å; G306-Q308 VanDerWaalsContact C-N 3.33Å; Q308-K310 PolarHBondContact O-N 3.33Å
309	P	92.6	Very high	85.6	Confident	89 Å²	89	71.5 Å²	71.5	58%	0.578	39%	0.394	S	S	*	.			trans	-53	127.4	171.8	-26.2	35.3	0	0	0	110.7	K331 V332	P309-K331 WeakPolarHBondContact O-CA 3.25Å; P309-V332 HydrophobicContact CB-CB 4.13Å; P309-V332 PolarHBondContact O-N 3.33Å
310	K	94.2	Very high	84.2	Confident	114 Å²	114	78.6 Å²	78.6	50%	0.496	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.2	-173.2	71.5	-179	-175	171.3	0	113.3	A304 Q308 D329 F330	A304-K310 HydrophobicContact CB-CB 3.5Å; A304-K310 HydrophobicContact CB-CD 4.35Å; Q308-K310 PolarHBondContact O-N 3.33Å; K310-D329 HydrophobicContact CD-CB 4.13Å; K310-D329 IonicContact NZ-OD2 3.48Å; K310-D329 PolarHBondContact NZ-OD2 3.36Å; K310-F330 CarbonylContact C-O 3.54Å; K310-F330 WeakPolarHBondContact CA-O 3.36Å; K310-F330 WeakPolarHBondContact CB-O 3.21Å
311	V	92.4	Very high	82.8	Confident	21 Å²	21	85.7 Å²	85.7	13%	0.127	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.9	167.4	63.2	0	0	0	0	108.9	L292 Y296 L313 F330 V332	L292-V311 HydrophobicContact CD1-CG1 4.1Å; Y296-V311 HydrophobicContact CD1-CB 4.06Å; Y296-V311 HydrophobicContact CD1-CG1 3.92Å; Y296-V311 HydrophobicContact CD1-CG2 4.39Å; Y296-V311 HydrophobicContact CD2-CG1 3.89Å; Y296-V311 HydrophobicContact CE1-CB 3.9Å; Y296-V311 HydrophobicContact CE1-CG1 4.14Å; Y296-V311 HydrophobicContact CE1-CG2 3.76Å; Y296-V311 HydrophobicContact CE2-CB 4.49Å; Y296-V311 HydrophobicContact CE2-CG1 4.09Å; Y296-V311 HydrophobicContact CE2-CG2 4.06Å; Y296-V311 HydrophobicContact CG-CB 4.43Å; Y296-V311 HydrophobicContact CG-CG1 3.78Å; V311-L313 HydrophobicContact CG1-CD1 4.1Å; V311-L313 HydrophobicContact CG1-CG 4.12Å; V311-L313 HydrophobicContact CG2-CD2 3.88Å; V311-L313 HydrophobicContact CG2-CG 3.95Å; V311-F330 HydrophobicContact CG1-CB 4.22Å; V311-F330 PolarHBondContact N-O 2.96Å; V311-F330 PolarHBondContact O-N 2.89Å; V311-V332 HydrophobicContact CB-CG2 4.05Å; V311-V332 HydrophobicContact CG1-CG2 4.02Å
312	S	91.5	Very high	81.4	Confident	65 Å²	65	90.8 Å²	90.8	46%	0.455	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.8	171.9	-52.8	0	0	0	0	108.8	G328 D329	S312-G328 WeakPolarHBondContact CA-O 3.42Å; S312-D329 WeakPolarHBondContact CB-OD1 3.48Å; S312-D329 PolarHBondContact OG-OD1 3.26Å
313	L	87.6	Confident	80.2	Confident	27 Å²	27	97.3 Å²	97.3	14%	0.141	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152	177	-61.9	175.5	0	0	0	109.9	L292 Y296 V311 T315 Q327 G328 F330	L292-L313 HydrophobicContact CB-CD1 4.45Å; L292-L313 HydrophobicContact CD1-CD1 3.99Å; Y296-L313 HydrophobicContact CD2-CD1 4.33Å; Y296-L313 HydrophobicContact CE2-CD1 4.08Å; Y296-L313 HydrophobicContact CE2-CD2 4.43Å; V311-L313 HydrophobicContact CG1-CD1 4.1Å; V311-L313 HydrophobicContact CG1-CG 4.12Å; V311-L313 HydrophobicContact CG2-CD2 3.88Å; V311-L313 HydrophobicContact CG2-CG 3.95Å; L313-T315 PolarHBondContact O-N 2.85Å; L313-Q327 PolarHBondContact O-OE1 2.88Å; L313-G328 PolarHBondContact N-O 2.83Å; L313-G328 PolarHBondContact O-N 3.28Å; L313-F330 HydrophobicContact CB-CD2 4.09Å; L313-F330 HydrophobicContact CB-CE2 4.16Å; L313-F330 HydrophobicContact CD1-CD2 4.49Å
314	E	84.5	Confident	79.6	Confident	148 Å²	148	95.5 Å²	95.5	69%	0.692	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	128	170.4	-73.3	-171.5	167.5	0	0	110.4	T325 I326	E314-T325 HydrophobicContact CB-CG2 3.88Å; E314-T325 HydrophobicContact CG-CG2 4.08Å; E314-I326 WeakPolarHBondContact CA-O 3.3Å
315	T	76.6	Confident	79	Confident	37 Å²	37	98.3 Å²	98.3	23%	0.227	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.1	174	-172.1	0	0	0	0	110.3	L313 T325 I326 F330	L313-T315 PolarHBondContact O-N 2.85Å; T315-T325 CarbonylContact O-C 3.52Å; T315-T325 WeakPolarHBondContact O-CA 3.5Å; T315-I326 HydrophobicContact CG2-CD1 4.41Å; T315-I326 HydrophobicContact CG2-CG1 3.81Å; T315-I326 PolarHBondContact N-O 3.02Å; T315-I326 PolarHBondContact O-N 2.91Å; T315-I326 VanDerWaalsContact O-O 3.14Å; T315-F330 HydrophobicContact CG2-CE2 4.39Å; T315-F330 HydrophobicContact CG2-CZ 4.11Å
316	K	75	Confident	78.9	Confident	138 Å²	138	97.8 Å²	97.8	60%	0.6	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.5	176.3	-64.5	-176.7	-179.2	177.1	0	109.3	W323 I324	K316-W323 HydrophobicContact CB-CE3 3.75Å; K316-W323 HydrophobicContact CB-CZ3 4.19Å; K316-I324 CarbonylContact C-O 3.55Å; K316-I324 WeakPolarHBondContact CA-O 3.37Å
317	E	65.1	Low	78.9	Confident	63 Å²	63	99.6 Å²	99.6	29%	0.294	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.5	173.2	-67.1	-77.9	-176.2	0	0	109	K303 V319 W323 I324 I326	K303-E317 IonicContact NZ-OE1 3.3Å; K303-E317 PolarHBondContact NZ-OE1 2.88Å; E317-V319 HydrophobicContact CB-CG2 4.15Å; E317-W323 WeakPolarHBondContact O-CA 3.43Å; E317-I324 HydrophobicContact CB-CG1 4.33Å; E317-I324 PolarHBondContact N-O 2.78Å; E317-I324 PolarHBondContact O-N 2.84Å; E317-I326 HydrophobicContact CB-CD1 4.47Å; E317-I326 HydrophobicContact CG-CD1 3.47Å; E317-I326 VanDerWaalsContact CG-CD1 3.47Å; E317-I326 HydrophobicContact CG-CG1 3.73Å
318	Y	59.6	Low	78.7	Confident	132 Å²	132	91.4 Å²	91.4	52%	0.518	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	100.6	175.7	-166.3	-108.2	0	0	0	109.6	E321 Q322 W323	Y318-E321 VanDerWaalsContact CZ-CA 3.45Å; Y318-E321 WeakPolarHBondContact OH-CA 3.38Å; Y318-E321 PolarHBondContact OH-O 2.65Å; Y318-Q322 WeakPolarHBondContact CA-O 3.46Å; Y318-W323 AromaticContact CD2-CD1 3.69Å; Y318-W323 AromaticContact CD2-CD2 3.75Å; Y318-W323 HydrophobicContact CD2-CD2 3.75Å; Y318-W323 AromaticContact CD2-CE2 3.63Å; Y318-W323 HydrophobicContact CD2-CE3 4.41Å; Y318-W323 AromaticContact CD2-CG 3.83Å; Y318-W323 HydrophobicContact CD2-CG 3.83Å; Y318-W323 HydrophobicContact CD2-CZ2 4.23Å; Y318-W323 AromaticContact CD2-NE1 3.55Å; Y318-W323 AromaticContact CE2-CD1 3.93Å; Y318-W323 HydrophobicContact CE2-CG 4.45Å; Y318-W323 AromaticContact CE2-NE1 3.83Å; Y318-W323 HydrophobicContact CG-CD2 4.46Å
319	V	72.7	Confident	78.8	Confident	66 Å²	66	91 Å²	91	40%	0.4	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129	-177	-176.9	0	0	0	0	108.6	E317 E321 Q322 I324	E317-V319 HydrophobicContact CB-CG2 4.15Å; V319-E321 VanDerWaalsContact C-N 3.34Å; V319-E321 PolarHBondContact O-N 3.1Å; V319-Q322 PolarHBondContact N-O 3.06Å; V319-Q322 PolarHBondContact O-N 2.75Å; V319-Q322 VanDerWaalsContact O-N 3.12Å; V319-Q322 VanDerWaalsContact O-O 3.09Å; V319-I324 HydrophobicContact CB-CD1 4.11Å; V319-I324 HydrophobicContact CB-CG1 4.45Å; V319-I324 HydrophobicContact CG2-CD1 3.93Å; V319-I324 HydrophobicContact CG2-CG1 4.26Å
320	N	65.8	Low	78.8	Confident	150 Å²	150	87.6 Å²	87.6	80%	0.802	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	46.9	178.9	-57.8	-32.6	0	0	0	113.6	Q322	N320-Q322 PolarHBondContact O-N 2.99Å
321	E	64.7	Low	78.9	Confident	166 Å²	166	83.5 Å²	83.5	78%	0.776	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	17.7	-180	-53.5	-176.6	154.6	0	0	115.1	Y318 V319	Y318-E321 VanDerWaalsContact CZ-CA 3.45Å; Y318-E321 WeakPolarHBondContact OH-CA 3.38Å; Y318-E321 PolarHBondContact OH-O 2.65Å; V319-E321 VanDerWaalsContact C-N 3.34Å; V319-E321 PolarHBondContact O-N 3.1Å
322	Q	61.7	Low	79	Confident	137 Å²	137	84.6 Å²	84.6	64%	0.64	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	140	176.4	-64.3	-170.8	-28.5	0	0	111.6	Y318 V319 N320 I324	Y318-Q322 WeakPolarHBondContact CA-O 3.46Å; V319-Q322 PolarHBondContact N-O 3.06Å; V319-Q322 PolarHBondContact O-N 2.75Å; V319-Q322 VanDerWaalsContact O-N 3.12Å; V319-Q322 VanDerWaalsContact O-O 3.09Å; N320-Q322 PolarHBondContact O-N 2.99Å; Q322-I324 PolarHBondContact O-N 2.82Å
323	W	66.1	Low	79.2	Confident	175 Å²	175	82 Å²	82	66%	0.663	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.4	168.5	-71.7	101	0	0	0	109.5	K316 E317 Y318	K316-W323 HydrophobicContact CB-CE3 3.75Å; K316-W323 HydrophobicContact CB-CZ3 4.19Å; E317-W323 WeakPolarHBondContact O-CA 3.43Å; Y318-W323 AromaticContact CD2-CD1 3.69Å; Y318-W323 AromaticContact CD2-CD2 3.75Å; Y318-W323 HydrophobicContact CD2-CD2 3.75Å; Y318-W323 AromaticContact CD2-CE2 3.63Å; Y318-W323 HydrophobicContact CD2-CE3 4.41Å; Y318-W323 AromaticContact CD2-CG 3.83Å; Y318-W323 HydrophobicContact CD2-CG 3.83Å; Y318-W323 HydrophobicContact CD2-CZ2 4.23Å; Y318-W323 AromaticContact CD2-NE1 3.55Å; Y318-W323 AromaticContact CE2-CD1 3.93Å; Y318-W323 HydrophobicContact CE2-CG 4.45Å; Y318-W323 AromaticContact CE2-NE1 3.83Å; Y318-W323 HydrophobicContact CG-CD2 4.46Å
324	I	78.4	Confident	79.4	Confident	70 Å²	70	87.5 Å²	87.5	36%	0.359	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.8	172.3	59.6	170.2	0	0	0	109.4	K316 E317 V319 Q322 I326	K316-I324 CarbonylContact C-O 3.55Å; K316-I324 WeakPolarHBondContact CA-O 3.37Å; E317-I324 HydrophobicContact CB-CG1 4.33Å; E317-I324 PolarHBondContact N-O 2.78Å; E317-I324 PolarHBondContact O-N 2.84Å; V319-I324 HydrophobicContact CB-CD1 4.11Å; V319-I324 HydrophobicContact CB-CG1 4.45Å; V319-I324 HydrophobicContact CG2-CD1 3.93Å; V319-I324 HydrophobicContact CG2-CG1 4.26Å; Q322-I324 PolarHBondContact O-N 2.82Å; I324-I326 HydrophobicContact CD1-CG2 3.83Å; I324-I326 HydrophobicContact CG1-CG2 4.07Å
325	T	78.9	Confident	79.9	Confident	80 Å²	80	82.2 Å²	82.2	49%	0.491	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124	169.2	-56.3	0	0	0	0	108.5	E314 T315	E314-T325 HydrophobicContact CB-CG2 3.88Å; E314-T325 HydrophobicContact CG-CG2 4.08Å; T315-T325 CarbonylContact O-C 3.52Å; T315-T325 WeakPolarHBondContact O-CA 3.5Å
326	I	83.7	Confident	80.9	Confident	65 Å²	65	81.2 Å²	81.2	33%	0.333	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	166.7	173.9	65.2	159.9	0	0	0	109.8	E314 T315 E317 I324	E314-I326 WeakPolarHBondContact CA-O 3.3Å; T315-I326 HydrophobicContact CG2-CD1 4.41Å; T315-I326 HydrophobicContact CG2-CG1 3.81Å; T315-I326 PolarHBondContact N-O 3.02Å; T315-I326 PolarHBondContact O-N 2.91Å; T315-I326 VanDerWaalsContact O-O 3.14Å; E317-I326 HydrophobicContact CB-CD1 4.47Å; E317-I326 HydrophobicContact CG-CD1 3.47Å; E317-I326 VanDerWaalsContact CG-CD1 3.47Å; E317-I326 HydrophobicContact CG-CG1 3.73Å; I324-I326 HydrophobicContact CD1-CG2 3.83Å; I324-I326 HydrophobicContact CG1-CG2 4.07Å
327	Q	86.8	Confident	81.9	Confident	111 Å²	111	77.1 Å²	77.1	52%	0.519	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.1	167.3	-68.8	-66.4	-28	0	0	108.9	L313	L313-Q327 PolarHBondContact O-OE1 2.88Å
328	G	83.9	Confident	83.3	Confident	3 Å²	3	77.6 Å²	77.6	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.9	173.2	0	0	0	0	0	110.5	S312 L313 F330	S312-G328 WeakPolarHBondContact CA-O 3.42Å; L313-G328 PolarHBondContact N-O 2.83Å; L313-G328 PolarHBondContact O-N 3.28Å; G328-F330 WeakPolarHBondContact O-CD2 3.35Å; G328-F330 PolarHBondContact O-N 2.83Å
329	D	92.9	Very high	85.1	Confident	54 Å²	54	71.3 Å²	71.3	29%	0.289	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	98.4	172.1	-81	-3.4	0	0	0	109.4	K303 A304 K310 S312	K303-D329 CarbonylContact C-O 3.59Å; K303-D329 VanDerWaalsContact CA-O 3.26Å; K303-D329 WeakPolarHBondContact CA-O 3.38Å; K303-D329 WeakPolarHBondContact CB-O 3.39Å; A304-D329 PolarHBondContact N-O 3.11Å; K310-D329 HydrophobicContact CD-CB 4.13Å; K310-D329 IonicContact NZ-OD2 3.48Å; K310-D329 PolarHBondContact NZ-OD2 3.36Å; S312-D329 WeakPolarHBondContact CB-OD1 3.48Å; S312-D329 PolarHBondContact OG-OD1 3.26Å
330	F	93.5	Very high	86.2	Confident	18 Å²	18	68.1 Å²	68.1	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.6	-179	-63.1	-79.9	0	0	0	111.5	L292 G301 K310 V311 L313 T315 G328	L292-F330 HydrophobicContact CD1-CB 3.56Å; L292-F330 HydrophobicContact CD1-CD2 4.46Å; L292-F330 HydrophobicContact CD1-CG 4Å; L292-F330 HydrophobicContact CD2-CB 4.03Å; L292-F330 HydrophobicContact CD2-CD1 3.58Å; L292-F330 HydrophobicContact CD2-CD2 4.37Å; L292-F330 HydrophobicContact CD2-CE1 4.08Å; L292-F330 HydrophobicContact CD2-CG 3.73Å; L292-F330 HydrophobicContact CG-CB 4.48Å; G301-F330 WeakPolarHBondContact O-CD1 3.49Å; G301-F330 WeakPolarHBondContact O-CE1 3.15Å; K310-F330 CarbonylContact C-O 3.54Å; K310-F330 WeakPolarHBondContact CA-O 3.36Å; K310-F330 WeakPolarHBondContact CB-O 3.21Å; V311-F330 HydrophobicContact CG1-CB 4.22Å; V311-F330 PolarHBondContact N-O 2.96Å; V311-F330 PolarHBondContact O-N 2.89Å; L313-F330 HydrophobicContact CB-CD2 4.09Å; L313-F330 HydrophobicContact CB-CE2 4.16Å; L313-F330 HydrophobicContact CD1-CD2 4.49Å; T315-F330 HydrophobicContact CG2-CE2 4.39Å; T315-F330 HydrophobicContact CG2-CZ 4.11Å; G328-F330 WeakPolarHBondContact O-CD2 3.35Å; G328-F330 PolarHBondContact O-N 2.83Å
331	K	95	Very high	87.6	Confident	28 Å²	28	64 Å²	64	12%	0.122	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.9	176.5	-170.1	167	169.7	-174	0	110.5	N298 I302 A304 P309 Y333 D342	N298-K331 WeakPolarHBondContact CB-O 3.39Å; N298-K331 PolarHBondContact ND2-O 2.95Å; I302-K331 WeakPolarHBondContact O-CB 3.48Å; I302-K331 PolarHBondContact O-N 3.2Å; A304-K331 HydrophobicContact CB-CB 4.2Å; P309-K331 WeakPolarHBondContact O-CA 3.25Å; K331-Y333 HydrophobicContact CB-CE2 4.23Å; K331-Y333 HydrophobicContact CD-CE1 3.93Å; K331-Y333 HydrophobicContact CG-CE1 4.21Å; K331-Y333 HydrophobicContact CG-CE2 4.25Å; K331-D342 IonicContact NZ-OD1 2.64Å; K331-D342 IonicContact NZ-OD2 3.88Å; K331-D342 PolarHBondContact NZ-OD2 3.14Å
332	V	95.2	Very high	89	Confident	43 Å²	43	58.5 Å²	58.5	26%	0.261	29%	0.29	S	S	.	.			trans	-106.1	132.2	175.7	-179.2	0	0	0	0	108.6	Y296 P309 V311	Y296-V332 HydrophobicContact CD1-CG1 4.27Å; Y296-V332 HydrophobicContact CD1-CG2 3.94Å; Y296-V332 HydrophobicContact CG-CG2 4.39Å; P309-V332 HydrophobicContact CB-CB 4.13Å; P309-V332 PolarHBondContact O-N 3.33Å; V311-V332 HydrophobicContact CB-CG2 4.05Å; V311-V332 HydrophobicContact CG1-CG2 4.02Å
333	Y	95.1	Very high	90.6	Very high	12 Å²	12	52 Å²	52	5%	0.047	26%	0.26	C	S	.	.			trans	-113.3	157.3	178.7	-58.9	-86	0	0	0	111.2	Y296 N298 I302 K331 S335 E338 D342	Y296-Y333 PolarHBondContact O-N 2.98Å; N298-Y333 HydrophobicContact CB-CD2 3.67Å; N298-Y333 HydrophobicContact CB-CE2 3.67Å; I302-Y333 WeakPolarHBondContact CB-OH 3.41Å; I302-Y333 VanDerWaalsContact CD1-OH 3.29Å; I302-Y333 WeakPolarHBondContact CD1-OH 3.24Å; K331-Y333 HydrophobicContact CB-CE2 4.23Å; K331-Y333 HydrophobicContact CD-CE1 3.93Å; K331-Y333 HydrophobicContact CG-CE1 4.21Å; K331-Y333 HydrophobicContact CG-CE2 4.25Å; Y333-S335 WeakPolarHBondContact CB-O 3.41Å; Y333-E338 HydrophobicContact CD1-CB 3.8Å; Y333-E338 HydrophobicContact CG-CB 4.36Å; Y333-D342 HydrophobicContact CE1-CB 3.93Å; Y333-D342 PolarHBondContact OH-OD2 3.43Å
334	N	93.1	Very high	91.9	Very high	142 Å²	142	43.7 Å²	43.7	76%	0.759	23%	0.228	S	C	*	.	S	Bend	trans	-78.8	-26.5	174.4	-57.5	-56.5	0	0	0	112	E338	N334-E338 PolarHBondContact N-OE2 2.98Å; N334-E338 PolarHBondContact ND2-OE1 3.45Å; N334-E338 PolarHBondContact ND2-OE2 3.16Å
335	S	95.3	Very high	92.6	Very high	36 Å²	36	42.9 Å²	42.9	25%	0.252	22%	0.224	S	C	.	.	S	Bend	trans	-149.6	165.2	-179.2	87.9	0	0	0	0	111.1	Y333 E337 E338	Y333-S335 WeakPolarHBondContact CB-O 3.41Å; S335-E337 VanDerWaalsContact C-N 3.27Å; S335-E337 WeakPolarHBondContact CB-OE2 3.27Å; S335-E337 PolarHBondContact OG-N 3.07Å; S335-E337 PolarHBondContact OG-OE2 2.88Å; S335-E338 PolarHBondContact OG-N 2.91Å
336	W	96.3	Very high	93.2	Very high	17 Å²	17	41.9 Å²	41.9	6%	0.064	22%	0.215	C	C	.	.	H	α-helix	trans	-69.9	-29.5	176.7	-77	-25.8	0	0	0	112.1	L250 F255 Q258 L259 A293 K297 L299 S339 L340	L250-W336 HydrophobicContact CD2-CH2 3.62Å; L250-W336 HydrophobicContact CD2-CZ3 3.65Å; F255-W336 HydrophobicContact CD2-CE3 4.27Å; F255-W336 AromaticContact CD2-CH2 3.76Å; F255-W336 HydrophobicContact CD2-CH2 3.76Å; F255-W336 AromaticContact CD2-CZ3 3.61Å; F255-W336 HydrophobicContact CD2-CZ3 3.61Å; F255-W336 HydrophobicContact CE2-CD2 4.45Å; F255-W336 HydrophobicContact CE2-CE3 4.11Å; F255-W336 AromaticContact CE2-CH2 3.92Å; F255-W336 HydrophobicContact CE2-CH2 3.92Å; F255-W336 HydrophobicContact CE2-CZ2 4.26Å; F255-W336 AromaticContact CE2-CZ3 3.84Å; F255-W336 HydrophobicContact CE2-CZ3 3.84Å; Q258-W336 VanDerWaalsContact OE1-CZ3 3.28Å; L259-W336 HydrophobicContact CD2-CB 3.51Å; L259-W336 HydrophobicContact CD2-CE3 4.09Å; L259-W336 HydrophobicContact CD2-CG 4.35Å; L259-W336 HydrophobicContact CG-CE3 4.44Å; A293-W336 PolarHBondContact O-NE1 3.29Å; K297-W336 HydrophobicContact CD-CG 4.41Å; L299-W336 HydrophobicContact CD1-CB 3.73Å; L299-W336 HydrophobicContact CD1-CD2 4.46Å; L299-W336 HydrophobicContact CD1-CG 3.8Å; L299-W336 HydrophobicContact CD2-CD2 4.27Å; L299-W336 HydrophobicContact CD2-CG 4.15Å; L299-W336 HydrophobicContact CG-CB 4.39Å; L299-W336 HydrophobicContact CG-CG 4.03Å; W336-S339 WeakPolarHBondContact O-CA 3.41Å; W336-S339 WeakPolarHBondContact O-CB 3.29Å; W336-S339 PolarHBondContact O-N 3.25Å; W336-S339 VanDerWaalsContact O-N 3.09Å; W336-L340 VanDerWaalsContact O-CD1 3.25Å; W336-L340 WeakPolarHBondContact O-CD1 3.42Å; W336-L340 PolarHBondContact O-N 2.87Å
337	E	95.5	Very high	93.7	Very high	52 Å²	52	39 Å²	39	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-45.3	174.8	-60.7	79.6	-175.6	0	0	111.1	H262 S335 S339 L340 D341	H262-E337 HydrophobicContact CB-CG 4.03Å; H262-E337 PolarHBondContact NE2-O 2.76Å; S335-E337 VanDerWaalsContact C-N 3.27Å; S335-E337 WeakPolarHBondContact CB-OE2 3.27Å; S335-E337 PolarHBondContact OG-N 3.07Å; S335-E337 PolarHBondContact OG-OE2 2.88Å; E337-S339 PolarHBondContact O-N 2.8Å; E337-L340 WeakPolarHBondContact O-CA 3.46Å; E337-L340 WeakPolarHBondContact O-CB 3.43Å; E337-L340 PolarHBondContact O-N 3.33Å; E337-D341 PolarHBondContact O-N 3.34Å
338	E	95.6	Very high	93.8	Very high	72 Å²	72	35.9 Å²	35.9	34%	0.336	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-32.6	174.8	-69.5	-177.2	174.2	0	0	112.4	Y333 N334 S335 D342	Y333-E338 HydrophobicContact CD1-CB 3.8Å; Y333-E338 HydrophobicContact CG-CB 4.36Å; N334-E338 PolarHBondContact N-OE2 2.98Å; N334-E338 PolarHBondContact ND2-OE1 3.45Å; N334-E338 PolarHBondContact ND2-OE2 3.16Å; S335-E338 PolarHBondContact OG-N 2.91Å; E338-D342 PolarHBondContact O-N 2.81Å
339	S	96.5	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.5	-36.2	174.5	-173.8	0	0	0	0	111.7	K297 L299 F300 W336 E337 H343	K297-S339 WeakPolarHBondContact O-CB 3.36Å; L299-S339 PolarHBondContact N-OG 3.42Å; L299-S339 VanDerWaalsContact N-OG 3.08Å; F300-S339 WeakPolarHBondContact CD2-O 3.19Å; F300-S339 WeakPolarHBondContact CD2-OG 3.4Å; F300-S339 WeakPolarHBondContact CE2-O 3.35Å; W336-S339 WeakPolarHBondContact O-CA 3.41Å; W336-S339 WeakPolarHBondContact O-CB 3.29Å; W336-S339 PolarHBondContact O-N 3.25Å; W336-S339 VanDerWaalsContact O-N 3.09Å; E337-S339 PolarHBondContact O-N 2.8Å; S339-H343 VanDerWaalsContact O-CB 3.3Å; S339-H343 WeakPolarHBondContact O-CB 3.39Å; S339-H343 PolarHBondContact O-N 3.02Å; S339-H343 VanDerWaalsContact O-N 3.11Å
340	L	96.6	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-41	173.8	-94.9	67.2	0	0	0	111.8	L259 A263 L266 I277 L299 F300 W336 E337 T344	L259-L340 HydrophobicContact CB-CD2 4.25Å; L259-L340 HydrophobicContact CD1-CD1 4.3Å; L259-L340 HydrophobicContact CD2-CD1 4.2Å; L259-L340 HydrophobicContact CD2-CD2 4.42Å; A263-L340 HydrophobicContact CB-CD2 4.28Å; L266-L340 HydrophobicContact CD1-CB 3.82Å; L266-L340 HydrophobicContact CD1-CD2 4.46Å; I277-L340 HydrophobicContact CG2-CB 4.45Å; I277-L340 HydrophobicContact CG2-CD2 3.77Å; I277-L340 HydrophobicContact CG2-CG 3.61Å; L299-L340 HydrophobicContact CD1-CD1 3.34Å; F300-L340 HydrophobicContact CE2-CD1 3.89Å; F300-L340 HydrophobicContact CE2-CG 4.35Å; F300-L340 HydrophobicContact CZ-CD1 3.89Å; F300-L340 HydrophobicContact CZ-CG 4.21Å; W336-L340 VanDerWaalsContact O-CD1 3.25Å; W336-L340 WeakPolarHBondContact O-CD1 3.42Å; W336-L340 PolarHBondContact O-N 2.87Å; E337-L340 WeakPolarHBondContact O-CA 3.46Å; E337-L340 WeakPolarHBondContact O-CB 3.43Å; E337-L340 PolarHBondContact O-N 3.33Å; L340-T344 VanDerWaalsContact O-CB 3.32Å; L340-T344 WeakPolarHBondContact O-CB 3.33Å; L340-T344 PolarHBondContact O-N 3.38Å; L340-T344 PolarHBondContact O-OG1 3.02Å
341	D	95	Very high	93.6	Very high	63 Å²	63	38.5 Å²	38.5	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-58.4	-53.3	175.2	-76.1	-34.4	0	0	0	111	H262 L266 E337 H343 T344 M345	H262-D341 IonicContact CE1-OD1 3.41Å; H262-D341 IonicContact NE2-OD1 3.77Å; H262-D341 PolarHBondContact NE2-OD1 3.01Å; H262-D341 VanDerWaalsContact NE2-OD1 3.17Å; H262-D341 IonicContact NE2-OD2 3.96Å; L266-D341 WeakPolarHBondContact CD2-OD1 3.33Å; E337-D341 PolarHBondContact O-N 3.34Å; D341-H343 VanDerWaalsContact C-N 3.34Å; D341-H343 PolarHBondContact O-N 3.19Å; D341-T344 PolarHBondContact O-N 3.12Å; D341-T344 VanDerWaalsContact O-N 3.14Å; D341-M345 WeakPolarHBondContact O-CG 3.28Å; D341-M345 PolarHBondContact O-N 2.91Å
342	D	94.3	Very high	93	Very high	50 Å²	50	45.8 Å²	45.8	27%	0.267	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-41.1	-177.5	-156.9	21.5	0	0	0	111.7	I302 K331 Y333 E338 M345 L346	I302-D342 HydrophobicContact CD1-CB 4.1Å; K331-D342 IonicContact NZ-OD1 2.64Å; K331-D342 IonicContact NZ-OD2 3.88Å; K331-D342 PolarHBondContact NZ-OD2 3.14Å; Y333-D342 HydrophobicContact CE1-CB 3.93Å; Y333-D342 PolarHBondContact OH-OD2 3.43Å; E338-D342 PolarHBondContact O-N 2.81Å; D342-M345 PolarHBondContact O-N 2.95Å; D342-L346 PolarHBondContact O-N 2.82Å
343	H	94.8	Very high	92.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-41	173.5	178.2	-102	0	0	0	112.5	Q280 F300 I302 S339 D341 M345 L346 F347 Y379	Q280-H343 PolarHBondContact OE1-CE1 3.04Å; F300-H343 HydrophobicContact CD1-CB 4.41Å; F300-H343 AromaticContact CD1-CD2 3.55Å; F300-H343 AromaticContact CD1-CG 3.77Å; F300-H343 AromaticContact CD1-NE2 3.75Å; F300-H343 HydrophobicContact CD2-CB 3.44Å; F300-H343 VanDerWaalsContact CD2-CB 3.44Å; F300-H343 AromaticContact CD2-CG 3.73Å; F300-H343 HydrophobicContact CE1-CB 4.42Å; F300-H343 AromaticContact CE1-CD2 3.99Å; F300-H343 AromaticContact CE1-CE1 3.81Å; F300-H343 AromaticContact CE1-CG 3.79Å; F300-H343 AromaticContact CE1-ND1 3.7Å; F300-H343 HydrophobicContact CE2-CB 3.48Å; F300-H343 VanDerWaalsContact CE2-CB 3.48Å; F300-H343 AromaticContact CE2-CG 3.78Å; F300-H343 HydrophobicContact CG-CB 3.93Å; F300-H343 AromaticContact CG-CD2 3.56Å; F300-H343 AromaticContact CG-CG 3.73Å; F300-H343 HydrophobicContact CZ-CB 3.99Å; F300-H343 AromaticContact CZ-CG 3.8Å; F300-H343 AromaticContact CZ-ND1 3.77Å; I302-H343 HydrophobicContact CD1-CB 4.25Å; S339-H343 VanDerWaalsContact O-CB 3.3Å; S339-H343 WeakPolarHBondContact O-CB 3.39Å; S339-H343 PolarHBondContact O-N 3.02Å; S339-H343 VanDerWaalsContact O-N 3.11Å; D341-H343 VanDerWaalsContact C-N 3.34Å; D341-H343 PolarHBondContact O-N 3.19Å; H343-M345 VanDerWaalsContact C-N 3.34Å; H343-M345 PolarHBondContact O-N 2.82Å; H343-L346 WeakPolarHBondContact O-CB 3Å; H343-L346 PolarHBondContact O-N 2.75Å; H343-F347 AromaticContact CE1-CE2 3.24Å; H343-F347 WeakPolarHBondContact CE1-CE2 3.39Å; H343-F347 AromaticContact CE1-CZ 3.28Å; H343-F347 WeakPolarHBondContact CE1-CZ 3.29Å; H343-F347 AromaticContact ND1-CE2 3.74Å; H343-F347 AromaticContact NE2-CE2 3.87Å; H343-F347 AromaticContact NE2-CZ 3.43Å; H343-F347 WeakPolarHBondContact NE2-CZ 3.35Å; H343-Y379 PolarHBondContact CD2-OH 2.69Å; H343-Y379 VanDerWaalsContact CD2-OH 3.27Å; H343-Y379 AromaticContact NE2-CZ 3.74Å; H343-Y379 PolarHBondContact NE2-OH 3.47Å
344	T	93.8	Very high	92.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-39.5	177.1	-62.9	0	0	0	0	111.4	L266 Y270 V272 L340 D341 L346 F347 V348	L266-T344 HydrophobicContact CB-CG2 4.39Å; L266-T344 HydrophobicContact CD2-CG2 4.09Å; Y270-T344 HydrophobicContact CD2-CG2 3.66Å; Y270-T344 HydrophobicContact CE2-CG2 4.46Å; Y270-T344 HydrophobicContact CG-CG2 3.96Å; V272-T344 HydrophobicContact CG2-CG2 4Å; L340-T344 VanDerWaalsContact O-CB 3.32Å; L340-T344 WeakPolarHBondContact O-CB 3.33Å; L340-T344 PolarHBondContact O-N 3.38Å; L340-T344 PolarHBondContact O-OG1 3.02Å; D341-T344 PolarHBondContact O-N 3.12Å; D341-T344 VanDerWaalsContact O-N 3.14Å; T344-L346 PolarHBondContact O-N 3.46Å; T344-F347 PolarHBondContact O-N 2.93Å; T344-V348 HydrophobicContact CG2-CG2 4.3Å; T344-V348 WeakPolarHBondContact O-CG2 3.37Å; T344-V348 PolarHBondContact O-N 3.04Å; T344-V348 VanDerWaalsContact O-N 3.12Å
345	M	92.8	Very high	92.1	Very high	52 Å²	52	52.3 Å²	52.3	26%	0.256	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-24.4	178.4	-69.3	-50.9	-54.1	0	0	113.5	Y270 D341 D342 H343 F347 V348 N349	Y270-M345 HydrophobicContact CD1-SD 4.46Å; Y270-M345 HydrophobicContact CE1-SD 3.83Å; Y270-M345 HydrophobicContact CE2-SD 4.4Å; D341-M345 WeakPolarHBondContact O-CG 3.28Å; D341-M345 PolarHBondContact O-N 2.91Å; D342-M345 PolarHBondContact O-N 2.95Å; H343-M345 VanDerWaalsContact C-N 3.34Å; H343-M345 PolarHBondContact O-N 2.82Å; M345-F347 VanDerWaalsContact C-N 3.31Å; M345-V348 HydrophobicContact CE-CB 4.05Å; M345-V348 HydrophobicContact CE-CG1 3.92Å; M345-V348 PolarHBondContact O-N 3.42Å; M345-V348 HydrophobicContact SD-CB 4.36Å; M345-V348 HydrophobicContact SD-CG2 4.46Å; M345-N349 VanDerWaalsContact CE-ND2 3.28Å; M345-N349 WeakPolarHBondContact CE-ND2 3.19Å; M345-N349 WeakPolarHBondContact CE-OD1 3.26Å; M345-N349 VanDerWaalsContact O-CB 3.26Å; M345-N349 WeakPolarHBondContact O-CB 3.37Å; M345-N349 PolarHBondContact O-N 3.09Å; M345-N349 PolarHBondContact O-ND2 3.21Å
346	L	92.2	Very high	91.9	Very high	60 Å²	60	58 Å²	58	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-40.8	169.3	176.2	64.5	0	0	0	111.5	D342 H343 T344 G350 T351 Y358 Y379	D342-L346 PolarHBondContact O-N 2.82Å; H343-L346 WeakPolarHBondContact O-CB 3Å; H343-L346 PolarHBondContact O-N 2.75Å; T344-L346 PolarHBondContact O-N 3.46Å; L346-G350 CarbonylContact O-C 3.4Å; L346-G350 WeakPolarHBondContact O-CA 3.4Å; L346-G350 PolarHBondContact O-N 3.31Å; L346-T351 HydrophobicContact CD1-CG2 4.35Å; L346-Y358 HydrophobicContact CD1-CE2 4.01Å; L346-Y358 HydrophobicContact CD2-CE2 4.24Å; L346-Y358 HydrophobicContact CG-CD2 4.32Å; L346-Y358 HydrophobicContact CG-CE2 3.79Å; L346-Y358 WeakPolarHBondContact O-CD2 3.32Å; L346-Y379 HydrophobicContact CD2-CE2 3.91Å
347	F	92.8	Very high	91.7	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-72.6	-39.4	177.8	-56.4	-36.8	0	0	0	112.1	V272 Q280 H343 T344 M345 Y358 L362 L374 Y379	V272-F347 HydrophobicContact CB-CD2 4.5Å; V272-F347 HydrophobicContact CG1-CD2 3.78Å; V272-F347 HydrophobicContact CG1-CE2 4.09Å; V272-F347 HydrophobicContact CG2-CB 4.08Å; V272-F347 HydrophobicContact CG2-CD2 3.85Å; V272-F347 HydrophobicContact CG2-CG 4.45Å; Q280-F347 VanDerWaalsContact OE1-CZ 3.28Å; H343-F347 AromaticContact CE1-CE2 3.24Å; H343-F347 WeakPolarHBondContact CE1-CE2 3.39Å; H343-F347 AromaticContact CE1-CZ 3.28Å; H343-F347 WeakPolarHBondContact CE1-CZ 3.29Å; H343-F347 AromaticContact ND1-CE2 3.74Å; H343-F347 AromaticContact NE2-CE2 3.87Å; H343-F347 AromaticContact NE2-CZ 3.43Å; H343-F347 WeakPolarHBondContact NE2-CZ 3.35Å; T344-F347 PolarHBondContact O-N 2.93Å; M345-F347 VanDerWaalsContact C-N 3.31Å; F347-Y358 HydrophobicContact CD1-CD1 4.04Å; F347-Y358 AromaticContact CD1-CD2 3.85Å; F347-Y358 HydrophobicContact CD1-CD2 3.85Å; F347-Y358 HydrophobicContact CD1-CE2 4.35Å; F347-Y358 AromaticContact CD1-CG 3.67Å; F347-Y358 HydrophobicContact CD1-CG 3.67Å; F347-Y358 HydrophobicContact CE1-CD1 4.29Å; F347-Y358 HydrophobicContact CE1-CE1 4.45Å; F347-Y358 HydrophobicContact CE1-CG 4.35Å; F347-L362 HydrophobicContact CB-CD2 4.08Å; F347-L374 HydrophobicContact CD1-CD2 4.38Å; F347-L374 HydrophobicContact CE1-CD2 3.53Å; F347-L374 HydrophobicContact CZ-CD2 3.81Å; F347-Y379 AromaticContact CE1-CD2 3.86Å; F347-Y379 HydrophobicContact CE1-CD2 3.86Å; F347-Y379 AromaticContact CE1-CE2 3.59Å; F347-Y379 HydrophobicContact CE1-CE2 3.59Å; F347-Y379 HydrophobicContact CZ-CD2 4.45Å; F347-Y379 AromaticContact CZ-CE2 3.91Å; F347-Y379 HydrophobicContact CZ-CE2 3.91Å
348	V	89.9	Confident	91.7	Very high	46 Å²	46	57 Å²	57	28%	0.279	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-44	-179.6	176.6	0	0	0	0	112	Y270 T344 M345	Y270-V348 HydrophobicContact CD1-CB 4.48Å; Y270-V348 HydrophobicContact CD1-CG1 4.19Å; Y270-V348 HydrophobicContact CD1-CG2 3.55Å; Y270-V348 HydrophobicContact CE1-CG2 4.4Å; Y270-V348 HydrophobicContact CG-CG2 3.74Å; T344-V348 HydrophobicContact CG2-CG2 4.3Å; T344-V348 WeakPolarHBondContact O-CG2 3.37Å; T344-V348 PolarHBondContact O-N 3.04Å; T344-V348 VanDerWaalsContact O-N 3.12Å; M345-V348 HydrophobicContact CE-CB 4.05Å; M345-V348 HydrophobicContact CE-CG1 3.92Å; M345-V348 PolarHBondContact O-N 3.42Å; M345-V348 HydrophobicContact SD-CB 4.36Å; M345-V348 HydrophobicContact SD-CG2 4.46Å
349	N	89.3	Confident	91.5	Very high	97 Å²	97	55.5 Å²	55.5	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-92.8	-16.4	-175.4	-63	-30.8	0	0	0	113.3	M345 P355	M345-N349 VanDerWaalsContact CE-ND2 3.28Å; M345-N349 WeakPolarHBondContact CE-ND2 3.19Å; M345-N349 WeakPolarHBondContact CE-OD1 3.26Å; M345-N349 VanDerWaalsContact O-CB 3.26Å; M345-N349 WeakPolarHBondContact O-CB 3.37Å; M345-N349 PolarHBondContact O-N 3.09Å; M345-N349 PolarHBondContact O-ND2 3.21Å; N349-P355 WeakPolarHBondContact O-CA 3.4Å
350	G	89	Confident	91.3	Very high	9 Å²	9	57.2 Å²	57.2	9%	0.093	31%	0.308	C	S	.	.			trans	66.7	-152.1	-167.9	0	0	0	0	0	112.2	L346	L346-G350 CarbonylContact O-C 3.4Å; L346-G350 WeakPolarHBondContact O-CA 3.4Å; L346-G350 PolarHBondContact O-N 3.31Å
351	T	86.5	Confident	91.1	Very high	25 Å²	25	57.3 Å²	57.3	15%	0.153	31%	0.308	C	S	.	.			trans	-107	163.5	177.2	64.6	0	0	0	0	110.6	L346 W353 D354 L357 Y358	L346-T351 HydrophobicContact CD1-CG2 4.35Å; T351-W353 PolarHBondContact O-N 3.41Å; T351-W353 PolarHBondContact OG1-NE1 3.26Å; T351-D354 PolarHBondContact N-O 3.39Å; T351-D354 CarbonylContact O-C 3.53Å; T351-D354 PolarHBondContact O-N 3.12Å; T351-D354 PolarHBondContact OG1-N 3.23Å; T351-D354 VanDerWaalsContact OG1-N 3.12Å; T351-D354 PolarHBondContact OG1-O 3.15Å; T351-L357 HydrophobicContact CG2-CD2 3.63Å; T351-Y358 HydrophobicContact CG2-CE2 4.33Å
352	N	82.6	Confident	90.8	Very high	180 Å²	180	56.9 Å²	56.9	96%	0.963	31%	0.305	S	S	*	.	S	Bend	trans	-58.3	-23	178.3	-69.8	-20.9	0	0	0	114.2
353	W	86.6	Confident	90.7	Very high	193 Å²	193	59.5 Å²	59.5	73%	0.731	32%	0.324	S	S	*	.	S	Bend	trans	-100.7	-22.6	179.9	57.5	-91.8	0	0	0	113	T351 L357	T351-W353 PolarHBondContact O-N 3.41Å; T351-W353 PolarHBondContact OG1-NE1 3.26Å; W353-L357 HydrophobicContact CH2-CD1 3.66Å; W353-L357 HydrophobicContact CH2-CD2 3.75Å; W353-L357 HydrophobicContact CH2-CG 4.3Å; W353-L357 HydrophobicContact CZ2-CD1 4.4Å; W353-L357 HydrophobicContact CZ2-CD2 3.62Å; W353-L357 HydrophobicContact CZ3-CD1 4.28Å
354	D	89.4	Confident	90.4	Very high	51 Å²	51	60 Å²	60	27%	0.273	33%	0.328	S	S	.	.			trans	-145.1	97.5	173.3	-175.3	-0.4	0	0	0	110.8	T351 Q356 L357	T351-D354 PolarHBondContact N-O 3.39Å; T351-D354 CarbonylContact O-C 3.53Å; T351-D354 PolarHBondContact O-N 3.12Å; T351-D354 PolarHBondContact OG1-N 3.23Å; T351-D354 VanDerWaalsContact OG1-N 3.12Å; T351-D354 PolarHBondContact OG1-O 3.15Å; D354-Q356 PolarHBondContact O-N 3.47Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.4Å; D354-Q356 PolarHBondContact OD1-N 3.45Å; D354-L357 HydrophobicContact CB-CB 4.07Å; D354-L357 WeakPolarHBondContact O-CB 3.19Å; D354-L357 PolarHBondContact O-N 3.19Å; D354-L357 PolarHBondContact OD1-N 2.92Å
355	P	89.8	Confident	90	Very high	91 Å²	91	65.4 Å²	65.4	59%	0.591	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.6	175.3	-23.2	34.7	0	0	0	114.4	N349	N349-P355 WeakPolarHBondContact O-CA 3.4Å
356	Q	90.1	Very high	89.7	Confident	155 Å²	155	65.4 Å²	65.4	72%	0.724	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	3.4	-179.6	-64	-170.9	9.1	0	0	113.2	D354 Y358 A359	D354-Q356 PolarHBondContact O-N 3.47Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.4Å; D354-Q356 PolarHBondContact OD1-N 3.45Å; Q356-Y358 PolarHBondContact O-N 3.31Å; Q356-A359 VanDerWaalsContact O-CB 3.27Å; Q356-A359 WeakPolarHBondContact O-CB 3.28Å; Q356-A359 PolarHBondContact O-N 3.48Å
357	L	93.6	Very high	89.5	Confident	31 Å²	31	63.8 Å²	63.8	16%	0.162	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-37.8	-173.4	-173.8	61.6	0	0	0	113.4	T351 W353 D354 A377	T351-L357 HydrophobicContact CG2-CD2 3.63Å; W353-L357 HydrophobicContact CH2-CD1 3.66Å; W353-L357 HydrophobicContact CH2-CD2 3.75Å; W353-L357 HydrophobicContact CH2-CG 4.3Å; W353-L357 HydrophobicContact CZ2-CD1 4.4Å; W353-L357 HydrophobicContact CZ2-CD2 3.62Å; W353-L357 HydrophobicContact CZ3-CD1 4.28Å; D354-L357 HydrophobicContact CB-CB 4.07Å; D354-L357 WeakPolarHBondContact O-CB 3.19Å; D354-L357 PolarHBondContact O-N 3.19Å; D354-L357 PolarHBondContact OD1-N 2.92Å; L357-A377 HydrophobicContact CD1-CB 4.29Å; L357-A377 HydrophobicContact CG-CB 4.17Å; L357-A377 WeakPolarHBondContact O-CB 3.33Å
358	Y	93.7	Very high	89.3	Confident	17 Å²	17	68.2 Å²	68.2	7%	0.067	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	14.6	-177.3	-60.5	-63.2	0	0	0	114.4	L346 F347 T351 Q356 G360 V361 L362 L374 A377 Y379	L346-Y358 HydrophobicContact CD1-CE2 4.01Å; L346-Y358 HydrophobicContact CD2-CE2 4.24Å; L346-Y358 HydrophobicContact CG-CD2 4.32Å; L346-Y358 HydrophobicContact CG-CE2 3.79Å; L346-Y358 WeakPolarHBondContact O-CD2 3.32Å; F347-Y358 HydrophobicContact CD1-CD1 4.04Å; F347-Y358 AromaticContact CD1-CD2 3.85Å; F347-Y358 HydrophobicContact CD1-CD2 3.85Å; F347-Y358 HydrophobicContact CD1-CE2 4.35Å; F347-Y358 AromaticContact CD1-CG 3.67Å; F347-Y358 HydrophobicContact CD1-CG 3.67Å; F347-Y358 HydrophobicContact CE1-CD1 4.29Å; F347-Y358 HydrophobicContact CE1-CE1 4.45Å; F347-Y358 HydrophobicContact CE1-CG 4.35Å; T351-Y358 HydrophobicContact CG2-CE2 4.33Å; Q356-Y358 PolarHBondContact O-N 3.31Å; Y358-G360 PolarHBondContact O-N 3.43Å; Y358-G360 VanDerWaalsContact O-N 3.16Å; Y358-V361 HydrophobicContact CD1-CG2 4.2Å; Y358-V361 WeakPolarHBondContact O-CB 3.39Å; Y358-V361 PolarHBondContact O-N 2.8Å; Y358-L362 PolarHBondContact O-N 3.01Å; Y358-L374 HydrophobicContact CD1-CD2 4.14Å; Y358-L374 HydrophobicContact CE1-CD2 4.18Å; Y358-A377 HydrophobicContact CD1-CB 3.65Å; Y358-A377 HydrophobicContact CE1-CB 3.6Å; Y358-Y379 AromaticContact CE1-CD2 3.74Å; Y358-Y379 HydrophobicContact CE1-CD2 3.74Å; Y358-Y379 HydrophobicContact CE1-CG 4.44Å; Y358-Y379 AromaticContact CZ-CD2 3.75Å; Y358-Y379 WeakPolarHBondContact OH-CD2 3.38Å
359	A	91.7	Very high	89.5	Confident	41 Å²	41	70.3 Å²	70.3	34%	0.339	38%	0.378	S	S	.	.	H	α-helix	trans	-54.5	-38	179.8	0	0	0	0	0	112.5	Q356 V361 L362 T363	Q356-A359 VanDerWaalsContact O-CB 3.27Å; Q356-A359 WeakPolarHBondContact O-CB 3.28Å; Q356-A359 PolarHBondContact O-N 3.48Å; A359-V361 VanDerWaalsContact C-N 3.26Å; A359-V361 PolarHBondContact O-N 3.31Å; A359-L362 PolarHBondContact O-N 2.75Å; A359-T363 WeakPolarHBondContact O-CG2 3.24Å; A359-T363 PolarHBondContact O-N 2.75Å; A359-T363 VanDerWaalsContact O-N 3.08Å; A359-T363 PolarHBondContact O-OG1 2.72Å; A359-T363 VanDerWaalsContact O-OG1 3.13Å
360	G	92.2	Very high	89.6	Confident	36 Å²	36	65.7 Å²	65.7	37%	0.371	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-32.1	176.5	0	0	0	0	0	113.9	Y358 T363 A364	Y358-G360 PolarHBondContact O-N 3.43Å; Y358-G360 VanDerWaalsContact O-N 3.16Å; G360-T363 WeakPolarHBondContact CA-OG1 3.18Å; G360-T363 PolarHBondContact O-OG1 2.94Å; G360-A364 WeakPolarHBondContact O-CB 3.44Å; G360-A364 PolarHBondContact O-N 2.99Å; G360-A364 VanDerWaalsContact O-N 3.16Å
361	V	92.7	Very high	89.8	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-70	-41	177	-174.4	0	0	0	0	110.3	I276 Y358 A359 T363 A370 A373 L374	I276-V361 HydrophobicContact CG2-CG1 4.48Å; Y358-V361 HydrophobicContact CD1-CG2 4.2Å; Y358-V361 WeakPolarHBondContact O-CB 3.39Å; Y358-V361 PolarHBondContact O-N 2.8Å; A359-V361 VanDerWaalsContact C-N 3.26Å; A359-V361 PolarHBondContact O-N 3.31Å; V361-T363 VanDerWaalsContact C-N 3.34Å; V361-A370 HydrophobicContact CG1-CB 4.39Å; V361-A373 HydrophobicContact CG2-CB 3.85Å; V361-L374 HydrophobicContact CG1-CD2 4.48Å; V361-L374 HydrophobicContact CG1-CG 4.39Å; V361-L374 HydrophobicContact CG2-CD2 3.77Å; V361-L374 HydrophobicContact CG2-CG 3.77Å
362	L	89.9	Confident	90.1	Very high	54 Å²	54	69.6 Å²	69.6	28%	0.283	37%	0.368	S	S	.	.	H	α-helix	trans	-70.5	-28.4	178.9	-59.2	178	0	0	0	113.1	V272 F347 Y358 A359	V272-L362 HydrophobicContact CG2-CD2 3.51Å; F347-L362 HydrophobicContact CB-CD2 4.08Å; Y358-L362 PolarHBondContact O-N 3.01Å; A359-L362 PolarHBondContact O-N 2.75Å
363	T	90.5	Very high	90.7	Very high	106 Å²	106	62 Å²	62	65%	0.65	33%	0.329	S	S	*	.	H	α-helix	trans	-94.3	-7.7	-179.1	57.2	0	0	0	0	114.3	A359 G360 V361	A359-T363 WeakPolarHBondContact O-CG2 3.24Å; A359-T363 PolarHBondContact O-N 2.75Å; A359-T363 VanDerWaalsContact O-N 3.08Å; A359-T363 PolarHBondContact O-OG1 2.72Å; A359-T363 VanDerWaalsContact O-OG1 3.13Å; G360-T363 WeakPolarHBondContact CA-OG1 3.18Å; G360-T363 PolarHBondContact O-OG1 2.94Å; V361-T363 VanDerWaalsContact C-N 3.34Å
364	A	89.7	Confident	91	Very high	11 Å²	11	52.8 Å²	52.8	9%	0.091	29%	0.294	C	S	.	.			trans	-66.2	134.3	-177.5	0	0	0	0	0	111.3	G360 Q369 A370	G360-A364 WeakPolarHBondContact O-CB 3.44Å; G360-A364 PolarHBondContact O-N 2.99Å; G360-A364 VanDerWaalsContact O-N 3.16Å; A364-Q369 HydrophobicContact CB-CB 3.9Å; A364-A370 HydrophobicContact CB-CB 3.52Å
365	T	85.2	Confident	91.1	Very high	114 Å²	114	52.7 Å²	52.7	70%	0.699	29%	0.292	S	S	*	.	S	Bend	trans	-87.4	-14.5	-179.3	56.1	0	0	0	0	113.2	Q369	T365-Q369 PolarHBondContact OG1-NE2 2.85Å; T365-Q369 VanDerWaalsContact OG1-NE2 3.15Å
366	D	85.9	Confident	91.2	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.283	30%	0.301	S	S	.	.	S	Bend	trans	-145.9	162	178.1	68.8	65.4	0	0	0	110.8	L273 K368 Q369 A370	L273-D366 WeakPolarHBondContact CD1-O 3.13Å; D366-K368 VanDerWaalsContact C-N 3.27Å; D366-K368 PolarHBondContact O-N 3.11Å; D366-K368 WeakPolarHBondContact OD1-CA 3.41Å; D366-K368 VanDerWaalsContact OD1-CB 3.3Å; D366-K368 WeakPolarHBondContact OD1-CB 3.25Å; D366-K368 PolarHBondContact OD1-N 2.91Å; D366-Q369 PolarHBondContact O-N 2.89Å; D366-Q369 PolarHBondContact OD1-N 3.12Å; D366-Q369 PolarHBondContact OD2-NE2 2.8Å; D366-A370 PolarHBondContact O-N 2.84Å
367	Y	87.4	Confident	91.4	Very high	25 Å²	25	47.7 Å²	47.7	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-26.6	-176.4	72.6	-79.6	0	0	0	113.5	A370 A371 I390 V394 D398	Y367-A370 PolarHBondContact O-N 3.03Å; Y367-A371 WeakPolarHBondContact O-CB 3.47Å; Y367-A371 PolarHBondContact O-N 3.03Å; Y367-I390 HydrophobicContact CD2-CG1 4.08Å; Y367-I390 HydrophobicContact CE2-CB 4.28Å; Y367-I390 HydrophobicContact CE2-CG1 4.14Å; Y367-I390 HydrophobicContact CE2-CG2 3.96Å; Y367-V394 HydrophobicContact CD2-CG1 3.56Å; Y367-V394 HydrophobicContact CE2-CG1 4.05Å; Y367-V394 HydrophobicContact CG-CG1 4.06Å; Y367-D398 WeakPolarHBondContact CD1-OD2 3.47Å; Y367-D398 HydrophobicContact CE1-CB 4.39Å; Y367-D398 WeakPolarHBondContact CE1-OD2 3.44Å
368	K	90.2	Very high	91.2	Very high	97 Å²	97	48.8 Å²	48.8	42%	0.422	29%	0.291	S	S	.	.	H	α-helix	trans	-70	-45.1	179.1	-60.2	174.8	-176.8	171	0	109.5	D366 Q372 I390	D366-K368 VanDerWaalsContact C-N 3.27Å; D366-K368 PolarHBondContact O-N 3.11Å; D366-K368 WeakPolarHBondContact OD1-CA 3.41Å; D366-K368 VanDerWaalsContact OD1-CB 3.3Å; D366-K368 WeakPolarHBondContact OD1-CB 3.25Å; D366-K368 PolarHBondContact OD1-N 2.91Å; K368-Q372 WeakPolarHBondContact O-CB 3.48Å; K368-Q372 VanDerWaalsContact O-CG 3.26Å; K368-Q372 WeakPolarHBondContact O-CG 3.25Å; K368-Q372 PolarHBondContact O-N 2.78Å; K368-I390 HydrophobicContact CB-CD1 4.19Å; K368-I390 HydrophobicContact CG-CD1 4.31Å; K368-I390 HydrophobicContact CG-CG1 4.47Å
369	Q	93	Very high	90.9	Very high	89 Å²	89	50.3 Å²	50.3	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-44.6	173.3	-70	-178.8	45.1	0	0	111.2	A364 T365 D366 Q372 A373	A364-Q369 HydrophobicContact CB-CB 3.9Å; T365-Q369 PolarHBondContact OG1-NE2 2.85Å; T365-Q369 VanDerWaalsContact OG1-NE2 3.15Å; D366-Q369 PolarHBondContact O-N 2.89Å; D366-Q369 PolarHBondContact OD1-N 3.12Å; D366-Q369 PolarHBondContact OD2-NE2 2.8Å; Q369-Q372 PolarHBondContact O-N 2.98Å; Q369-A373 WeakPolarHBondContact O-CB 3.39Å; Q369-A373 PolarHBondContact O-N 3.08Å
370	A	92.4	Very high	90.5	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-41.8	-179.8	0	0	0	0	0	112.4	L273 I276 V361 A364 D366 Y367 A373 L374	L273-A370 HydrophobicContact CD1-CB 4.18Å; I276-A370 HydrophobicContact CD1-CB 3.66Å; I276-A370 HydrophobicContact CG1-CB 3.51Å; V361-A370 HydrophobicContact CG1-CB 4.39Å; A364-A370 HydrophobicContact CB-CB 3.52Å; D366-A370 PolarHBondContact O-N 2.84Å; Y367-A370 PolarHBondContact O-N 3.03Å; A370-A373 WeakPolarHBondContact O-CB 3.28Å; A370-A373 PolarHBondContact O-N 2.86Å; A370-L374 PolarHBondContact O-N 2.95Å
371	A	92.2	Very high	89.7	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-39.5	175.4	0	0	0	0	0	112	I276 Y367 A373 L374 Q375 A386 I389 I390	I276-A371 HydrophobicContact CD1-CB 4.02Å; Y367-A371 WeakPolarHBondContact O-CB 3.47Å; Y367-A371 PolarHBondContact O-N 3.03Å; A371-A373 VanDerWaalsContact C-N 3.33Å; A371-L374 WeakPolarHBondContact O-CB 3.48Å; A371-L374 PolarHBondContact O-N 3.35Å; A371-Q375 PolarHBondContact O-N 2.89Å; A371-Q375 VanDerWaalsContact O-N 3.09Å; A371-A386 HydrophobicContact CB-CB 4.19Å; A371-A386 WeakPolarHBondContact O-CB 3.05Å; A371-I389 HydrophobicContact CB-CB 4.29Å; A371-I389 HydrophobicContact CB-CG2 4.2Å; A371-I390 HydrophobicContact CB-CD1 3.89Å; A371-I390 HydrophobicContact CB-CG1 3.72Å
372	Q	93.6	Very high	89	Confident	116 Å²	116	57 Å²	57	54%	0.542	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-36.4	172.5	-73.7	174.6	2.7	0	0	112.3	K368 Q369 Q375 T376	K368-Q372 WeakPolarHBondContact O-CB 3.48Å; K368-Q372 VanDerWaalsContact O-CG 3.26Å; K368-Q372 WeakPolarHBondContact O-CG 3.25Å; K368-Q372 PolarHBondContact O-N 2.78Å; Q369-Q372 PolarHBondContact O-N 2.98Å; Q372-Q375 PolarHBondContact O-N 2.77Å; Q372-T376 WeakPolarHBondContact O-CB 3.35Å; Q372-T376 PolarHBondContact O-N 3.43Å; Q372-T376 PolarHBondContact O-OG1 3.38Å
373	A	94.4	Very high	88.5	Confident	19 Å²	19	59.3 Å²	59.3	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-40.5	174.4	0	0	0	0	0	111.5	V361 Q369 A370 A371 Q375 T376 A377	V361-A373 HydrophobicContact CG2-CB 3.85Å; Q369-A373 WeakPolarHBondContact O-CB 3.39Å; Q369-A373 PolarHBondContact O-N 3.08Å; A370-A373 WeakPolarHBondContact O-CB 3.28Å; A370-A373 PolarHBondContact O-N 2.86Å; A371-A373 VanDerWaalsContact C-N 3.33Å; A373-Q375 PolarHBondContact O-N 3.47Å; A373-T376 PolarHBondContact O-N 2.92Å; A373-A377 VanDerWaalsContact O-CB 3.25Å; A373-A377 WeakPolarHBondContact O-CB 3.47Å; A373-A377 PolarHBondContact O-N 3.03Å
374	L	93.4	Very high	88.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-44.5	172.6	-75.8	169.8	0	0	0	112.4	I276 F347 Y358 V361 A370 A371 T376 A377 G378 Y379 I389	I276-L374 HydrophobicContact CG2-CD1 3.65Å; F347-L374 HydrophobicContact CD1-CD2 4.38Å; F347-L374 HydrophobicContact CE1-CD2 3.53Å; F347-L374 HydrophobicContact CZ-CD2 3.81Å; Y358-L374 HydrophobicContact CD1-CD2 4.14Å; Y358-L374 HydrophobicContact CE1-CD2 4.18Å; V361-L374 HydrophobicContact CG1-CD2 4.48Å; V361-L374 HydrophobicContact CG1-CG 4.39Å; V361-L374 HydrophobicContact CG2-CD2 3.77Å; V361-L374 HydrophobicContact CG2-CG 3.77Å; A370-L374 PolarHBondContact O-N 2.95Å; A371-L374 WeakPolarHBondContact O-CB 3.48Å; A371-L374 PolarHBondContact O-N 3.35Å; L374-T376 VanDerWaalsContact C-N 3.34Å; L374-A377 PolarHBondContact O-N 2.95Å; L374-G378 PolarHBondContact O-N 3.32Å; L374-Y379 HydrophobicContact CD2-CD2 3.68Å; L374-Y379 HydrophobicContact CD2-CE2 4.37Å; L374-Y379 HydrophobicContact CD2-CG 3.97Å; L374-Y379 WeakPolarHBondContact O-CB 3.35Å; L374-Y379 PolarHBondContact O-N 3.13Å; L374-Y379 VanDerWaalsContact O-N 3.09Å; L374-I389 HydrophobicContact CD1-CD1 3.7Å
375	Q	91.2	Very high	88	Confident	49 Å²	49	58.3 Å²	58.3	23%	0.229	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-44.8	176	-173.2	75.8	61.1	0	0	111.4	A371 Q372 A373 A377 G378 D382 P383 Y385 A386	A371-Q375 PolarHBondContact O-N 2.89Å; A371-Q375 VanDerWaalsContact O-N 3.09Å; Q372-Q375 PolarHBondContact O-N 2.77Å; A373-Q375 PolarHBondContact O-N 3.47Å; Q375-A377 VanDerWaalsContact C-N 3.32Å; Q375-A377 PolarHBondContact O-N 3.26Å; Q375-G378 PolarHBondContact O-N 3.01Å; Q375-G378 VanDerWaalsContact O-N 3.12Å; Q375-D382 PolarHBondContact NE2-O 3.25Å; Q375-D382 PolarHBondContact OE1-O 3.18Å; Q375-P383 PolarHBondContact OE1-O 2.99Å; Q375-Y385 VanDerWaalsContact OE1-CB 3.31Å; Q375-Y385 VanDerWaalsContact OE1-N 3.08Å; Q375-A386 HydrophobicContact CB-CB 3.99Å
376	T	93	Very high	88.2	Confident	125 Å²	125	53.2 Å²	53.2	77%	0.767	30%	0.304	S	S	*	.	H	α-helix	trans	-66.3	-36.8	-179.7	-55.9	0	0	0	0	111.6	Q372 A373 L374 G378	Q372-T376 WeakPolarHBondContact O-CB 3.35Å; Q372-T376 PolarHBondContact O-N 3.43Å; Q372-T376 PolarHBondContact O-OG1 3.38Å; A373-T376 PolarHBondContact O-N 2.92Å; L374-T376 VanDerWaalsContact C-N 3.34Å; T376-G378 PolarHBondContact O-N 2.67Å
377	A	92.6	Very high	88.2	Confident	17 Å²	17	55.4 Å²	55.4	14%	0.14	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.2	175.3	0	0	0	0	0	113.4	L357 Y358 A373 L374 Q375	L357-A377 HydrophobicContact CD1-CB 4.29Å; L357-A377 HydrophobicContact CG-CB 4.17Å; L357-A377 WeakPolarHBondContact O-CB 3.33Å; Y358-A377 HydrophobicContact CD1-CB 3.65Å; Y358-A377 HydrophobicContact CE1-CB 3.6Å; A373-A377 VanDerWaalsContact O-CB 3.25Å; A373-A377 WeakPolarHBondContact O-CB 3.47Å; A373-A377 PolarHBondContact O-N 3.03Å; L374-A377 PolarHBondContact O-N 2.95Å; Q375-A377 VanDerWaalsContact C-N 3.32Å; Q375-A377 PolarHBondContact O-N 3.26Å
378	G	89.6	Confident	88	Confident	53 Å²	53	58.8 Å²	58.8	55%	0.546	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	29.9	-179.3	0	0	0	0	0	113.5	L374 Q375 T376 A380	L374-G378 PolarHBondContact O-N 3.32Å; Q375-G378 PolarHBondContact O-N 3.01Å; Q375-G378 VanDerWaalsContact O-N 3.12Å; T376-G378 PolarHBondContact O-N 2.67Å; G378-A380 PolarHBondContact O-N 3.17Å
379	Y	88.2	Confident	87.7	Confident	50 Å²	50	54.2 Å²	54.2	20%	0.196	31%	0.312	C	S	.	.	S	Bend	trans	-55.7	-40.2	179.2	-172.7	-80.3	0	0	0	111.9	Q280 H343 L346 F347 Y358 L374 Y385	Q280-Y379 PolarHBondContact NE2-OH 2.93Å; H343-Y379 PolarHBondContact CD2-OH 2.69Å; H343-Y379 VanDerWaalsContact CD2-OH 3.27Å; H343-Y379 AromaticContact NE2-CZ 3.74Å; H343-Y379 PolarHBondContact NE2-OH 3.47Å; L346-Y379 HydrophobicContact CD2-CE2 3.91Å; F347-Y379 AromaticContact CE1-CD2 3.86Å; F347-Y379 HydrophobicContact CE1-CD2 3.86Å; F347-Y379 AromaticContact CE1-CE2 3.59Å; F347-Y379 HydrophobicContact CE1-CE2 3.59Å; F347-Y379 HydrophobicContact CZ-CD2 4.45Å; F347-Y379 AromaticContact CZ-CE2 3.91Å; F347-Y379 HydrophobicContact CZ-CE2 3.91Å; Y358-Y379 AromaticContact CE1-CD2 3.74Å; Y358-Y379 HydrophobicContact CE1-CD2 3.74Å; Y358-Y379 HydrophobicContact CE1-CG 4.44Å; Y358-Y379 AromaticContact CZ-CD2 3.75Å; Y358-Y379 WeakPolarHBondContact OH-CD2 3.38Å; L374-Y379 HydrophobicContact CD2-CD2 3.68Å; L374-Y379 HydrophobicContact CD2-CE2 4.37Å; L374-Y379 HydrophobicContact CD2-CG 3.97Å; L374-Y379 WeakPolarHBondContact O-CB 3.35Å; L374-Y379 PolarHBondContact O-N 3.13Å; L374-Y379 VanDerWaalsContact O-N 3.09Å; Y379-Y385 HydrophobicContact CD1-CD1 4.47Å; Y379-Y385 AromaticContact CD1-CE1 3.52Å; Y379-Y385 HydrophobicContact CD1-CE1 3.52Å; Y379-Y385 AromaticContact CD1-CZ 3.65Å; Y379-Y385 WeakPolarHBondContact CD1-OH 3.25Å; Y379-Y385 HydrophobicContact CE1-CE1 4.17Å; Y379-Y385 AromaticContact CE1-CZ 3.89Å; Y379-Y385 WeakPolarHBondContact CE1-OH 3.18Å; Y379-Y385 HydrophobicContact CG-CE1 4.24Å
380	A	82.8	Confident	87.2	Confident	24 Å²	24	51 Å²	51	20%	0.198	30%	0.297	C	S	.	.			trans	-128.9	148	175	0	0	0	0	0	110.8	G378 D382 Y385	G378-A380 PolarHBondContact O-N 3.17Å; A380-D382 HydrophobicContact CB-CB 4.47Å; A380-D382 PolarHBondContact O-N 3.12Å; A380-Y385 HydrophobicContact CB-CD1 3.83Å; A380-Y385 HydrophobicContact CB-CD2 3.4Å; A380-Y385 HydrophobicContact CB-CE1 4.16Å; A380-Y385 HydrophobicContact CB-CE2 3.79Å; A380-Y385 HydrophobicContact CB-CG 3.43Å; A380-Y385 VanDerWaalsContact CB-CG 3.43Å
381	T	74.9	Confident	86	Confident	151 Å²	151	53.5 Å²	53.5	93%	0.926	32%	0.315	S	S	*	.	S	Bend	trans	-74.7	-11	174	52.5	0	0	0	0	113	P383	T381-P383 WeakPolarHBondContact O-CD 3.27Å
382	D	78.1	Confident	84.2	Confident	42 Å²	42	60 Å²	60	23%	0.225	34%	0.343	C	S	.	.			trans	-70.7	118.3	176.3	-176.1	-8.6	0	0	0	110.6	Q375 A380 D384 Y385 K388	Q375-D382 PolarHBondContact NE2-O 3.25Å; Q375-D382 PolarHBondContact OE1-O 3.18Å; A380-D382 HydrophobicContact CB-CB 4.47Å; A380-D382 PolarHBondContact O-N 3.12Å; D382-D384 PolarHBondContact O-N 3.03Å; D382-D384 PolarHBondContact OD1-N 3.17Å; D382-Y385 WeakPolarHBondContact O-CB 3.25Å; D382-Y385 PolarHBondContact O-N 3.49Å; D382-K388 WeakPolarHBondContact OD2-CD 3.42Å; D382-K388 WeakPolarHBondContact OD2-CE 3.34Å; D382-K388 IonicContact OD2-NZ 3.8Å; D382-K388 PolarHBondContact OD2-NZ 2.91Å
383	P	80.5	Confident	82.5	Confident	104 Å²	104	55.7 Å²	55.7	68%	0.675	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.5	-179.7	28.4	-35.8	0	0	0	113.6	Q375 T381	Q375-P383 PolarHBondContact OE1-O 2.99Å; T381-P383 WeakPolarHBondContact O-CD 3.27Å
384	D	83.5	Confident	80.7	Confident	88 Å²	88	54.8 Å²	54.8	47%	0.471	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	12.9	178.2	-74.2	-49	0	0	0	112.6	D382 A386 N387 K388	D382-D384 PolarHBondContact O-N 3.03Å; D382-D384 PolarHBondContact OD1-N 3.17Å; D384-A386 VanDerWaalsContact C-N 3.35Å; D384-A386 PolarHBondContact O-N 3.32Å; D384-N387 WeakPolarHBondContact O-CA 3.27Å; D384-N387 WeakPolarHBondContact O-CB 3.49Å; D384-N387 PolarHBondContact O-N 2.88Å; D384-N387 PolarHBondContact OD1-ND2 2.83Å; D384-K388 PolarHBondContact O-N 3.21Å
385	Y	85.2	Confident	78.9	Confident	7 Å²	7	61 Å²	61	3%	0.027	34%	0.341	C	S	.	.	H	α-helix	trans	-56.3	-46.5	-176.2	-170.8	-111.2	0	0	0	112.6	Q280 L283 E284 Q375 Y379 A380 D382 N387 K388 I389	Q280-Y385 PolarHBondContact NE2-OH 3.42Å; L283-Y385 HydrophobicContact CD2-CD2 4.12Å; L283-Y385 HydrophobicContact CD2-CE2 3.7Å; E284-Y385 VanDerWaalsContact OE1-CE2 3.3Å; E284-Y385 WeakPolarHBondContact OE1-CE2 3.33Å; E284-Y385 PolarHBondContact OE1-OH 3.28Å; Q375-Y385 VanDerWaalsContact OE1-CB 3.31Å; Q375-Y385 VanDerWaalsContact OE1-N 3.08Å; Y379-Y385 HydrophobicContact CD1-CD1 4.47Å; Y379-Y385 AromaticContact CD1-CE1 3.52Å; Y379-Y385 HydrophobicContact CD1-CE1 3.52Å; Y379-Y385 AromaticContact CD1-CZ 3.65Å; Y379-Y385 WeakPolarHBondContact CD1-OH 3.25Å; Y379-Y385 HydrophobicContact CE1-CE1 4.17Å; Y379-Y385 AromaticContact CE1-CZ 3.89Å; Y379-Y385 WeakPolarHBondContact CE1-OH 3.18Å; Y379-Y385 HydrophobicContact CG-CE1 4.24Å; A380-Y385 HydrophobicContact CB-CD1 3.83Å; A380-Y385 HydrophobicContact CB-CD2 3.4Å; A380-Y385 HydrophobicContact CB-CE1 4.16Å; A380-Y385 HydrophobicContact CB-CE2 3.79Å; A380-Y385 HydrophobicContact CB-CG 3.43Å; A380-Y385 VanDerWaalsContact CB-CG 3.43Å; D382-Y385 WeakPolarHBondContact O-CB 3.25Å; D382-Y385 PolarHBondContact O-N 3.49Å; Y385-N387 VanDerWaalsContact C-N 3.28Å; Y385-N387 PolarHBondContact O-N 3.46Å; Y385-K388 PolarHBondContact O-N 3.39Å; Y385-K388 VanDerWaalsContact O-N 3.12Å; Y385-I389 HydrophobicContact CD1-CD1 3.78Å; Y385-I389 HydrophobicContact CD1-CG1 4.49Å; Y385-I389 HydrophobicContact CE1-CD1 3.31Å; Y385-I389 HydrophobicContact CE1-CG1 4.2Å; Y385-I389 PolarHBondContact O-N 2.86Å
386	A	89	Confident	77	Confident	8 Å²	8	62 Å²	62	7%	0.066	35%	0.346	C	S	.	.	H	α-helix	trans	-56.6	-43.6	175.4	0	0	0	0	0	111.8	A371 Q375 D384 K388 I389 I390	A371-A386 HydrophobicContact CB-CB 4.19Å; A371-A386 WeakPolarHBondContact O-CB 3.05Å; Q375-A386 HydrophobicContact CB-CB 3.99Å; D384-A386 VanDerWaalsContact C-N 3.35Å; D384-A386 PolarHBondContact O-N 3.32Å; A386-K388 VanDerWaalsContact C-N 3.34Å; A386-K388 PolarHBondContact O-N 3.04Å; A386-I389 PolarHBondContact O-N 3.03Å; A386-I390 WeakPolarHBondContact O-CB 3.48Å; A386-I390 WeakPolarHBondContact O-CD1 3.45Å; A386-I390 WeakPolarHBondContact O-CG1 3.41Å; A386-I390 PolarHBondContact O-N 3.25Å
387	N	85.9	Confident	75.3	Confident	98 Å²	98	56.8 Å²	56.8	52%	0.524	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-35.2	179.2	-69.5	-32.7	0	0	0	111.8	D384 Y385 I390 S391	D384-N387 WeakPolarHBondContact O-CA 3.27Å; D384-N387 WeakPolarHBondContact O-CB 3.49Å; D384-N387 PolarHBondContact O-N 2.88Å; D384-N387 PolarHBondContact OD1-ND2 2.83Å; Y385-N387 VanDerWaalsContact C-N 3.28Å; Y385-N387 PolarHBondContact O-N 3.46Å; N387-I390 CarbonylContact O-C 3.38Å; N387-I390 PolarHBondContact O-N 3.1Å; N387-S391 WeakPolarHBondContact O-CB 3.12Å; N387-S391 PolarHBondContact O-N 2.98Å
388	K	84.6	Confident	73.4	Confident	97 Å²	97	58.3 Å²	58.3	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-40.3	175.4	-72.5	-179.3	178.7	-179.5	0	112	L283 D382 D384 Y385 A386 S391	L283-K388 HydrophobicContact CD1-CB 4.28Å; L283-K388 HydrophobicContact CD2-CB 3.86Å; D382-K388 WeakPolarHBondContact OD2-CD 3.42Å; D382-K388 WeakPolarHBondContact OD2-CE 3.34Å; D382-K388 IonicContact OD2-NZ 3.8Å; D382-K388 PolarHBondContact OD2-NZ 2.91Å; D384-K388 PolarHBondContact O-N 3.21Å; Y385-K388 PolarHBondContact O-N 3.39Å; Y385-K388 VanDerWaalsContact O-N 3.12Å; A386-K388 VanDerWaalsContact C-N 3.34Å; A386-K388 PolarHBondContact O-N 3.04Å; K388-S391 WeakPolarHBondContact O-CB 3.39Å; K388-S391 PolarHBondContact O-N 2.93Å; K388-S391 PolarHBondContact O-OG 3.29Å
389	I	83.7	Confident	71.4	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-50.8	171	-64.6	174.5	0	0	0	109.8	I276 Q280 L283 A371 L374 Y385 A386 S391 V394	I276-I389 HydrophobicContact CD1-CG2 3.98Å; Q280-I389 HydrophobicContact CG-CD1 3.57Å; Q280-I389 HydrophobicContact CG-CG1 4.13Å; L283-I389 HydrophobicContact CD2-CG1 4.37Å; A371-I389 HydrophobicContact CB-CB 4.29Å; A371-I389 HydrophobicContact CB-CG2 4.2Å; L374-I389 HydrophobicContact CD1-CD1 3.7Å; Y385-I389 HydrophobicContact CD1-CD1 3.78Å; Y385-I389 HydrophobicContact CD1-CG1 4.49Å; Y385-I389 HydrophobicContact CE1-CD1 3.31Å; Y385-I389 HydrophobicContact CE1-CG1 4.2Å; Y385-I389 PolarHBondContact O-N 2.86Å; A386-I389 PolarHBondContact O-N 3.03Å; I389-S391 PolarHBondContact O-N 3.02Å; I389-S391 VanDerWaalsContact O-N 3.08Å; I389-V394 HydrophobicContact CG2-CG2 4.21Å; I389-V394 WeakPolarHBondContact O-CB 3.5Å; I389-V394 WeakPolarHBondContact O-CG2 3.35Å
390	I	81.4	Confident	69.4	Low	20 Å²	20	58.2 Å²	58.2	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-17.1	-179.8	-68.8	165.7	0	0	0	112.6	Y367 K368 A371 A386 N387	Y367-I390 HydrophobicContact CD2-CG1 4.08Å; Y367-I390 HydrophobicContact CE2-CB 4.28Å; Y367-I390 HydrophobicContact CE2-CG1 4.14Å; Y367-I390 HydrophobicContact CE2-CG2 3.96Å; K368-I390 HydrophobicContact CB-CD1 4.19Å; K368-I390 HydrophobicContact CG-CD1 4.31Å; K368-I390 HydrophobicContact CG-CG1 4.47Å; A371-I390 HydrophobicContact CB-CD1 3.89Å; A371-I390 HydrophobicContact CB-CG1 3.72Å; A386-I390 WeakPolarHBondContact O-CB 3.48Å; A386-I390 WeakPolarHBondContact O-CD1 3.45Å; A386-I390 WeakPolarHBondContact O-CG1 3.41Å; A386-I390 PolarHBondContact O-N 3.25Å; N387-I390 CarbonylContact O-C 3.38Å; N387-I390 PolarHBondContact O-N 3.1Å
391	S	68.3	Low	67.8	Low	55 Å²	55	59.1 Å²	59.1	39%	0.385	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	172	-176.8	80.4	0	0	0	0	112.6	N387 K388 I389 P393 V394	N387-S391 WeakPolarHBondContact O-CB 3.12Å; N387-S391 PolarHBondContact O-N 2.98Å; K388-S391 WeakPolarHBondContact O-CB 3.39Å; K388-S391 PolarHBondContact O-N 2.93Å; K388-S391 PolarHBondContact O-OG 3.29Å; I389-S391 PolarHBondContact O-N 3.02Å; I389-S391 VanDerWaalsContact O-N 3.08Å; S391-P393 VanDerWaalsContact C-N 3.29Å; S391-P393 WeakPolarHBondContact O-CD 3.5Å; S391-V394 PolarHBondContact O-N 3.43Å
392	K	54.2	Low	66.5	Low	136 Å²	136	60.2 Å²	60.2	59%	0.591	32%	0.315	S	S	*	.	H	α-helix	trans	-34.3	-43.9	-165.1	-144.7	-175.1	178.2	-169.3	0	116.9	V394 R395 E396	K392-V394 PolarHBondContact O-N 2.93Å; K392-R395 PolarHBondContact O-N 3.29Å; K392-E396 WeakPolarHBondContact CD-OE1 3.32Å; K392-E396 WeakPolarHBondContact CE-OE1 3.16Å; K392-E396 WeakPolarHBondContact CG-OE1 3.45Å; K392-E396 IonicContact NZ-OE1 2.73Å; K392-E396 VanDerWaalsContact O-CG 3.29Å; K392-E396 WeakPolarHBondContact O-CG 3.45Å; K392-E396 PolarHBondContact O-N 2.81Å
393	P	57.2	Low	65.1	Low	25 Å²	25	62.5 Å²	62.5	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-40.3	-179.2	-19.8	31.3	0	0	0	113.8	I282 W287 S391 M397	I282-P393 HydrophobicContact CD1-CB 3.81Å; I282-P393 HydrophobicContact CG2-CB 3.98Å; I282-P393 HydrophobicContact CG2-CG 4.05Å; W287-P393 HydrophobicContact CH2-CB 3.93Å; W287-P393 HydrophobicContact CH2-CG 4.48Å; W287-P393 HydrophobicContact CZ2-CB 3.77Å; W287-P393 HydrophobicContact CZ2-CG 3.84Å; S391-P393 VanDerWaalsContact C-N 3.29Å; S391-P393 WeakPolarHBondContact O-CD 3.5Å; P393-M397 WeakPolarHBondContact O-CG 3.41Å; P393-M397 PolarHBondContact O-N 3.16Å
394	V	57.1	Low	63.8	Low	1 Å²	1	63.4 Å²	63.4	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-77.2	-32	-178.8	174.9	0	0	0	0	112.1	S275 Y367 I389 S391 K392 M397 D398	S275-V394 WeakPolarHBondContact O-CG2 3.48Å; Y367-V394 HydrophobicContact CD2-CG1 3.56Å; Y367-V394 HydrophobicContact CE2-CG1 4.05Å; Y367-V394 HydrophobicContact CG-CG1 4.06Å; I389-V394 HydrophobicContact CG2-CG2 4.21Å; I389-V394 WeakPolarHBondContact O-CB 3.5Å; I389-V394 WeakPolarHBondContact O-CG2 3.35Å; S391-V394 PolarHBondContact O-N 3.43Å; K392-V394 PolarHBondContact O-N 2.93Å; V394-M397 PolarHBondContact O-N 3.23Å; V394-D398 PolarHBondContact O-N 2.82Å
395	R	55.2	Low	62.7	Low	130 Å²	130	62.5 Å²	62.5	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-43.7	171.8	-81.2	177.8	166.9	-161.7	-2.5	112.2	K392 M397 A399	K392-R395 PolarHBondContact O-N 3.29Å; R395-M397 PolarHBondContact O-N 3.18Å; R395-A399 WeakPolarHBondContact O-CB 3.1Å; R395-A399 PolarHBondContact O-N 3.15Å
396	E	52.5	Low	61.6	Low	71 Å²	71	68.1 Å²	68.1	33%	0.332	37%	0.368	S	S	.	.	H	α-helix	trans	-58.5	-41	174.5	-72.6	168.4	-178.6	0	0	109.5	K392 A399 M400	K392-E396 WeakPolarHBondContact CD-OE1 3.32Å; K392-E396 WeakPolarHBondContact CE-OE1 3.16Å; K392-E396 WeakPolarHBondContact CG-OE1 3.45Å; K392-E396 IonicContact NZ-OE1 2.73Å; K392-E396 VanDerWaalsContact O-CG 3.29Å; K392-E396 WeakPolarHBondContact O-CG 3.45Å; K392-E396 PolarHBondContact O-N 2.81Å; E396-A399 PolarHBondContact O-N 2.96Å; E396-M400 WeakPolarHBondContact O-CG 3.32Å; E396-M400 PolarHBondContact O-N 3.36Å
397	M	57.6	Low	60.7	Low	15 Å²	15	73.2 Å²	73.2	7%	0.074	39%	0.391	C	S	.	.	H	α-helix	trans	-73.4	-36.7	-177.9	-66.9	174.6	71.5	0	0	115.6	I256 L278 I282 P393 V394 R395 A399 M400 A401	I256-M397 HydrophobicContact CB-CE 4.48Å; I256-M397 HydrophobicContact CD1-CE 4.42Å; I256-M397 HydrophobicContact CD1-CG 3.73Å; I256-M397 HydrophobicContact CD1-SD 3.78Å; I256-M397 HydrophobicContact CG1-CE 4.1Å; I256-M397 HydrophobicContact CG1-CG 4.37Å; I256-M397 HydrophobicContact CG1-SD 3.93Å; I256-M397 HydrophobicContact CG2-CE 3.66Å; I256-M397 HydrophobicContact CG2-CG 4.34Å; I256-M397 HydrophobicContact CG2-SD 4.4Å; L278-M397 HydrophobicContact CB-CE 3.19Å; L278-M397 HydrophobicContact CB-SD 3.89Å; L278-M397 HydrophobicContact CD1-CE 3.05Å; L278-M397 HydrophobicContact CD2-CE 4.4Å; L278-M397 HydrophobicContact CG-CE 3.62Å; I282-M397 HydrophobicContact CD1-SD 3.68Å; P393-M397 WeakPolarHBondContact O-CG 3.41Å; P393-M397 PolarHBondContact O-N 3.16Å; V394-M397 PolarHBondContact O-N 3.23Å; R395-M397 PolarHBondContact O-N 3.18Å; M397-A399 VanDerWaalsContact C-N 3.34Å; M397-M400 PolarHBondContact O-N 3Å; M397-A401 WeakPolarHBondContact O-CB 3.42Å; M397-A401 PolarHBondContact O-N 3.35Å
398	D	52.6	Low	60.1	Low	49 Å²	49	76 Å²	76	26%	0.262	40%	0.404	S	S	.	.	H	α-helix	trans	-70.6	-34	175	-102.8	24.5	0	0	0	111.3	S275 Y367 V394 M400 A401 E402	S275-D398 VanDerWaalsContact CB-OD1 3.31Å; S275-D398 WeakPolarHBondContact CB-OD1 3.37Å; S275-D398 PolarHBondContact OG-OD1 3.26Å; S275-D398 VanDerWaalsContact OG-OD1 3.13Å; Y367-D398 WeakPolarHBondContact CD1-OD2 3.47Å; Y367-D398 HydrophobicContact CE1-CB 4.39Å; Y367-D398 WeakPolarHBondContact CE1-OD2 3.44Å; V394-D398 PolarHBondContact O-N 2.82Å; D398-M400 VanDerWaalsContact C-N 3.3Å; D398-M400 PolarHBondContact O-N 3.43Å; D398-A401 PolarHBondContact O-N 3.37Å; D398-E402 PolarHBondContact O-N 3.1Å
399	A	47.2	Very low	59.6	Low	37 Å²	37	74.7 Å²	74.7	31%	0.306	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-34.2	171.8	0	0	0	0	0	112	R395 E396 M397 E421	R395-A399 WeakPolarHBondContact O-CB 3.1Å; R395-A399 PolarHBondContact O-N 3.15Å; E396-A399 PolarHBondContact O-N 2.96Å; M397-A399 VanDerWaalsContact C-N 3.34Å; A399-E421 HydrophobicContact CB-CB 4.46Å; A399-E421 WeakPolarHBondContact CB-OE2 3.11Å
400	M	46.6	Very low	59.4	Low	63 Å²	63	76.6 Å²	76.6	31%	0.31	41%	0.412	S	S	.	.	H	α-helix	trans	-73.1	-30	171.3	-66.4	178.7	96.8	0	0	113.6	Q253 E396 M397 D398 N403	Q253-M400 VanDerWaalsContact NE2-CE 3.3Å; E396-M400 WeakPolarHBondContact O-CG 3.32Å; E396-M400 PolarHBondContact O-N 3.36Å; M397-M400 PolarHBondContact O-N 3Å; D398-M400 VanDerWaalsContact C-N 3.3Å; D398-M400 PolarHBondContact O-N 3.43Å; M400-N403 CarbonylContact O-C 3.59Å; M400-N403 PolarHBondContact O-N 3.1Å
401	A	49.5	Very low	59.1	Low	44 Å²	44	80.5 Å²	80.5	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-72.7	-27.8	-179.8	0	0	0	0	0	113.5	M397 D398 N403	M397-A401 WeakPolarHBondContact O-CB 3.42Å; M397-A401 PolarHBondContact O-N 3.35Å; D398-A401 PolarHBondContact O-N 3.37Å; A401-N403 VanDerWaalsContact C-N 3.35Å
402	E	46.4	Very low	59.5	Low	173 Å²	173	84.5 Å²	84.5	81%	0.808	45%	0.446	S	S	*	.	H	α-helix	trans	-78.6	-18.5	173.3	-73.4	-170.3	161.6	0	0	113	D398	D398-E402 PolarHBondContact O-N 3.1Å
403	N	49.3	Very low	60.5	Low	91 Å²	91	84.9 Å²	84.9	49%	0.487	44%	0.444	S	S	.	.			trans	-107.9	72.2	173.3	-99	-27.2	0	0	0	110.8	M400 A401 A405	M400-N403 CarbonylContact O-C 3.59Å; M400-N403 PolarHBondContact O-N 3.1Å; A401-N403 VanDerWaalsContact C-N 3.35Å; N403-A405 PolarHBondContact O-N 3.27Å
404	N	51.8	Low	61.4	Low	122 Å²	122	87.1 Å²	87.1	65%	0.652	45%	0.451	S	S	*	.			trans	-66.2	19.2	165.9	-72.4	-49.3	0	0	0	113.2	K264 P406	K264-N404 PolarHBondContact NZ-OD1 3.34Å; N404-P406 WeakPolarHBondContact O-CD 3.33Å
405	A	60.8	Low	62.4	Low	70 Å²	70	92.2 Å²	92.2	58%	0.579	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-70.7	118.8	172	0	0	0	0	0	107.4	N403 E407	N403-A405 PolarHBondContact O-N 3.27Å; A405-E407 PolarHBondContact O-N 3.09Å
406	P	63.4	Low	63.9	Low	124 Å²	124	87.7 Å²	87.7	81%	0.805	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59.7	124.6	173.3	25	-32.3	0	0	0	108.7	N404	N404-P406 WeakPolarHBondContact O-CD 3.33Å
407	E	69.5	Low	65.8	Low	116 Å²	116	85 Å²	85	54%	0.542	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-94	136.1	174.5	-169.2	178.2	-158.3	0	0	109.5	A405 M409 R418	A405-E407 PolarHBondContact O-N 3.09Å; E407-M409 HydrophobicContact CG-CG 4.09Å; E407-R418 VanDerWaalsContact CD-NH2 3.34Å; E407-R418 IonicContact OE1-CZ 2.71Å; E407-R418 IonicContact OE1-NH1 3.17Å; E407-R418 PolarHBondContact OE1-NH1 3.32Å; E407-R418 IonicContact OE1-NH2 3.26Å; E407-R418 PolarHBondContact OE1-NH2 3.01Å; E407-R418 IonicContact OE2-CZ 3.68Å; E407-R418 IonicContact OE2-NH1 3.79Å; E407-R418 IonicContact OE2-NH2 3.82Å; E407-R418 PolarHBondContact OE2-NH2 2.93Å
408	I	73.8	Confident	67.3	Low	156 Å²	156	89.3 Å²	89.3	80%	0.8	47%	0.468	S	S	*	.			trans	-116.1	117.2	176.8	-59.6	172.7	0	0	0	107.6
409	M	74	Confident	69.3	Low	69 Å²	69	87.5 Å²	87.5	34%	0.34	46%	0.458	S	S	.	.			trans	-132.3	152.3	177.3	-71.3	-64.9	-129.9	0	0	110.1	E407 I416 R418	E407-M409 HydrophobicContact CG-CG 4.09Å; M409-I416 HydrophobicContact CE-CD1 3.5Å; M409-I416 HydrophobicContact CE-CG1 3.72Å; M409-R418 VanDerWaalsContact CE-NH2 3.29Å
410	T	78.2	Confident	71.4	Confident	42 Å²	42	86.8 Å²	86.8	26%	0.258	45%	0.45	S	S	.	.			trans	-111.3	159.4	172.5	77.8	0	0	0	0	109.6	E242 L412 R413 K414	E242-T410 PolarHBondContact OE1-OG1 3.3Å; E242-T410 WeakPolarHBondContact OE2-CG2 3.5Å; T410-L412 PolarHBondContact O-N 3.2Å; T410-L412 VanDerWaalsContact O-N 3.13Å; T410-R413 CarbonylContact O-C 3.58Å; T410-R413 WeakPolarHBondContact O-CA 3.4Å; T410-R413 PolarHBondContact O-N 3.34Å; T410-K414 PolarHBondContact O-N 2.92Å
411	E	75.2	Confident	73.5	Confident	102 Å²	102	88 Å²	88	48%	0.477	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.2	179.9	-74.6	-65	134.4	0	0	113	P245 K414	P245-E411 HydrophobicContact CG-CB 4.21Å; P245-E411 HydrophobicContact CG-CG 3.68Å; E411-K414 WeakPolarHBondContact O-CG 3.23Å; E411-K414 WeakPolarHBondContact OE2-CE 3.37Å; E411-K414 IonicContact OE2-NZ 2.62Å; E411-K414 PolarHBondContact OE2-NZ 3.29Å
412	L	77.3	Confident	75.5	Confident	139 Å²	139	86.6 Å²	86.6	73%	0.728	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.6	176.2	-61	179.1	0	0	0	113.6	T410	T410-L412 PolarHBondContact O-N 3.2Å; T410-L412 VanDerWaalsContact O-N 3.13Å
413	R	76.2	Confident	77.9	Confident	143 Å²	143	78.3 Å²	78.3	54%	0.54	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	6.5	-177.2	-69.4	-66.9	-152.8	-94	-4.1	113.6	T410 D415 I416	T410-R413 CarbonylContact O-C 3.58Å; T410-R413 WeakPolarHBondContact O-CA 3.4Å; T410-R413 PolarHBondContact O-N 3.34Å; R413-D415 VanDerWaalsContact C-N 3.31Å; R413-D415 PolarHBondContact O-N 2.9Å; R413-I416 WeakPolarHBondContact O-CG2 3.5Å
414	K	74.3	Confident	79.9	Confident	73 Å²	73	77.1 Å²	77.1	32%	0.317	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-23.6	178.3	68.9	-172.6	179.9	-177.1	0	114.5	E248 T410 E411 I416	E248-K414 IonicContact OE2-NZ 2.87Å; E248-K414 PolarHBondContact OE2-NZ 3.3Å; T410-K414 PolarHBondContact O-N 2.92Å; E411-K414 WeakPolarHBondContact O-CG 3.23Å; E411-K414 WeakPolarHBondContact OE2-CE 3.37Å; E411-K414 IonicContact OE2-NZ 2.62Å; E411-K414 PolarHBondContact OE2-NZ 3.29Å; K414-I416 PolarHBondContact O-N 2.87Å
415	D	78.4	Confident	81.8	Confident	108 Å²	108	77.2 Å²	77.2	58%	0.578	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	25	-173.9	-73.4	-15.5	0	0	0	114.1	R413 K613	R413-D415 VanDerWaalsContact C-N 3.31Å; R413-D415 PolarHBondContact O-N 2.9Å; D415-K613 IonicContact OD2-NZ 2.76Å; D415-K613 PolarHBondContact OD2-NZ 2.7Å
416	I	88.2	Confident	83.5	Confident	35 Å²	35	74.1 Å²	74.1	18%	0.179	36%	0.364	C	S	.	.			trans	-68.6	158.9	176.8	65.2	168.6	0	0	0	112.5	M409 R413 K414 R418 N450 D452	M409-I416 HydrophobicContact CE-CD1 3.5Å; M409-I416 HydrophobicContact CE-CG1 3.72Å; R413-I416 WeakPolarHBondContact O-CG2 3.5Å; K414-I416 PolarHBondContact O-N 2.87Å; I416-R418 HydrophobicContact CG1-CG 4.32Å; I416-R418 PolarHBondContact O-N 3.19Å; I416-N450 WeakPolarHBondContact CB-O 3.48Å; I416-N450 HydrophobicContact CG2-CB 4.12Å; I416-D452 HydrophobicContact CD1-CB 4.02Å
417	V	91	Very high	85	Confident	15 Å²	15	71.1 Å²	71.1	9%	0.091	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-75.3	103.5	173.2	179.9	0	0	0	0	109.8	I440 I447 N450 T451 D452 P603 L609	V417-I440 HydrophobicContact CG1-CD1 4.02Å; V417-I447 HydrophobicContact CB-CG2 4.34Å; V417-I447 HydrophobicContact CG1-CG2 4.41Å; V417-I447 HydrophobicContact CG2-CG2 4.06Å; V417-N450 WeakPolarHBondContact CB-O 3.29Å; V417-N450 PolarHBondContact N-O 3.45Å; V417-T451 WeakPolarHBondContact O-CA 3.31Å; V417-T451 WeakPolarHBondContact O-CB 3.37Å; V417-T451 PolarHBondContact O-OG1 3.31Å; V417-D452 PolarHBondContact O-N 3.21Å; V417-P603 HydrophobicContact CG1-CB 3.7Å; V417-L609 HydrophobicContact CG2-CD1 3.67Å
418	R	90.6	Very high	86.3	Confident	105 Å²	105	66.2 Å²	66.2	40%	0.396	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-83.3	136.1	175.5	-64.8	-174	178.9	-96.7	8.4	112.7	E407 M409 I416 D452	E407-R418 VanDerWaalsContact CD-NH2 3.34Å; E407-R418 IonicContact OE1-CZ 2.71Å; E407-R418 IonicContact OE1-NH1 3.17Å; E407-R418 PolarHBondContact OE1-NH1 3.32Å; E407-R418 IonicContact OE1-NH2 3.26Å; E407-R418 PolarHBondContact OE1-NH2 3.01Å; E407-R418 IonicContact OE2-CZ 3.68Å; E407-R418 IonicContact OE2-NH1 3.79Å; E407-R418 IonicContact OE2-NH2 3.82Å; E407-R418 PolarHBondContact OE2-NH2 2.93Å; M409-R418 VanDerWaalsContact CE-NH2 3.29Å; I416-R418 HydrophobicContact CG1-CG 4.32Å; I416-R418 PolarHBondContact O-N 3.19Å; R418-D452 VanDerWaalsContact CA-OD1 3.27Å; R418-D452 WeakPolarHBondContact CA-OD1 3.06Å
419	V	93.4	Very high	87.5	Confident	10 Å²	10	59.6 Å²	59.6	6%	0.061	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79.3	150.3	168.1	-58.9	0	0	0	0	110.5	E421 I423 D452 A453 Y601	V419-E421 PolarHBondContact O-N 3.37Å; V419-I423 HydrophobicContact CB-CD1 4.19Å; V419-D452 PolarHBondContact N-OD1 3.44Å; V419-A453 HydrophobicContact CG1-CB 3.76Å; V419-Y601 HydrophobicContact CB-CD1 4.47Å; V419-Y601 HydrophobicContact CG1-CD1 4.07Å
420	P	92.6	Very high	88.5	Confident	23 Å²	23	61 Å²	61	15%	0.149	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.9	129.7	176.8	-27.3	36.3	0	0	0	112.5	V422 I423 E585 I588 Y601	P420-V422 HydrophobicContact CB-CG1 4.03Å; P420-V422 PolarHBondContact O-N 3.15Å; P420-V422 VanDerWaalsContact O-N 3.13Å; P420-I423 WeakPolarHBondContact O-CB 3.5Å; P420-I423 WeakPolarHBondContact O-CG1 3.17Å; P420-I423 PolarHBondContact O-N 2.83Å; P420-E585 HydrophobicContact CB-CG 4.39Å; P420-I588 HydrophobicContact CB-CD1 3.84Å; P420-I588 HydrophobicContact CG-CD1 3.7Å; P420-Y601 HydrophobicContact CG-CD2 4Å; P420-Y601 HydrophobicContact CG-CE2 3.74Å
421	E	89.7	Confident	89.3	Confident	88 Å²	88	59.4 Å²	59.4	41%	0.411	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-59.4	-29.5	-175	-68.9	-174.5	164.5	0	0	113.1	A399 V419 I423 Q424	A399-E421 HydrophobicContact CB-CB 4.46Å; A399-E421 WeakPolarHBondContact CB-OE2 3.11Å; V419-E421 PolarHBondContact O-N 3.37Å; E421-I423 PolarHBondContact O-N 3.39Å; E421-Q424 VanDerWaalsContact O-CB 3.23Å; E421-Q424 WeakPolarHBondContact O-CB 3.41Å; E421-Q424 VanDerWaalsContact O-CG 3.28Å; E421-Q424 WeakPolarHBondContact O-CG 3.36Å; E421-Q424 PolarHBondContact O-N 3.3Å
422	V	92	Very high	90.1	Very high	14 Å²	14	61.2 Å²	61.2	9%	0.085	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-55.3	-23.8	175.7	67.7	0	0	0	0	113.2	P420 Q424 K425 E585 I588 E589 I592	P420-V422 HydrophobicContact CB-CG1 4.03Å; P420-V422 PolarHBondContact O-N 3.15Å; P420-V422 VanDerWaalsContact O-N 3.13Å; V422-Q424 PolarHBondContact O-N 3.21Å; V422-K425 HydrophobicContact CG2-CD 4.2Å; V422-K425 WeakPolarHBondContact O-CB 3.31Å; V422-K425 WeakPolarHBondContact O-CG 3.19Å; V422-K425 PolarHBondContact O-N 3.12Å; V422-K425 VanDerWaalsContact O-N 3.13Å; V422-E585 HydrophobicContact CG1-CB 4Å; V422-E585 HydrophobicContact CG1-CG 3.95Å; V422-I588 HydrophobicContact CG1-CB 3.91Å; V422-I588 HydrophobicContact CG1-CD1 4.26Å; V422-I588 HydrophobicContact CG1-CG2 3.62Å; V422-E589 HydrophobicContact CG2-CB 3.87Å; V422-E589 HydrophobicContact CG2-CG 4.3Å; V422-I592 WeakPolarHBondContact O-CD1 3.4Å
423	I	95.7	Very high	90.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-62.1	-24.8	174.5	-63	174.8	0	0	0	111.9	V419 P420 E421 K425 A426 R437 I588 I599	V419-I423 HydrophobicContact CB-CD1 4.19Å; P420-I423 WeakPolarHBondContact O-CB 3.5Å; P420-I423 WeakPolarHBondContact O-CG1 3.17Å; P420-I423 PolarHBondContact O-N 2.83Å; E421-I423 PolarHBondContact O-N 3.39Å; I423-K425 PolarHBondContact O-N 2.92Å; I423-K425 VanDerWaalsContact O-N 3.14Å; I423-A426 WeakPolarHBondContact O-CB 3.41Å; I423-A426 PolarHBondContact O-N 3.44Å; I423-R437 HydrophobicContact CG2-CB 4.34Å; I423-R437 WeakPolarHBondContact CG2-O 3.45Å; I423-I588 HydrophobicContact CG1-CG2 3.7Å; I423-I599 HydrophobicContact CD1-CB 4.12Å; I423-I599 HydrophobicContact CD1-CG2 3.88Å; I423-I599 HydrophobicContact CG1-CB 4.02Å; I423-I599 HydrophobicContact CG1-CG1 4.38Å; I423-I599 HydrophobicContact CG1-CG2 4.04Å; I423-I599 HydrophobicContact CG2-CB 3.96Å; I423-I599 HydrophobicContact CG2-CG1 4.31Å
424	Q	91.4	Very high	91.4	Very high	66 Å²	66	56.9 Å²	56.9	31%	0.308	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-61.9	-20.7	176.7	-63.3	-63.6	-15.6	0	0	113.1	E421 V422 A426 R437	E421-Q424 VanDerWaalsContact O-CB 3.23Å; E421-Q424 WeakPolarHBondContact O-CB 3.41Å; E421-Q424 VanDerWaalsContact O-CG 3.28Å; E421-Q424 WeakPolarHBondContact O-CG 3.36Å; E421-Q424 PolarHBondContact O-N 3.3Å; V422-Q424 PolarHBondContact O-N 3.21Å; Q424-A426 PolarHBondContact O-N 2.91Å; Q424-R437 VanDerWaalsContact OE1-NE 3.11Å
425	K	93.3	Very high	92.4	Very high	124 Å²	124	58.7 Å²	58.7	54%	0.539	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-69.2	-19	173	-61.2	-172.9	-177.3	-174.2	0	113.3	V422 I423 E589 I592	V422-K425 HydrophobicContact CG2-CD 4.2Å; V422-K425 WeakPolarHBondContact O-CB 3.31Å; V422-K425 WeakPolarHBondContact O-CG 3.19Å; V422-K425 PolarHBondContact O-N 3.12Å; V422-K425 VanDerWaalsContact O-N 3.13Å; I423-K425 PolarHBondContact O-N 2.92Å; I423-K425 VanDerWaalsContact O-N 3.14Å; K425-E589 IonicContact NZ-OE1 3.76Å; K425-E589 PolarHBondContact NZ-OE1 3.16Å; K425-I592 HydrophobicContact CB-CD1 4.32Å; K425-I592 HydrophobicContact CB-CG2 4.44Å
426	A	95.8	Very high	93.3	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	28%	0.281	C	S	.	.	S	Bend	trans	-64.4	142	178.2	0	0	0	0	0	110.8	I423 Q424 G428 R437 I592 N597	I423-A426 WeakPolarHBondContact O-CB 3.41Å; I423-A426 PolarHBondContact O-N 3.44Å; Q424-A426 PolarHBondContact O-N 2.91Å; A426-G428 PolarHBondContact O-N 2.91Å; A426-G428 VanDerWaalsContact O-N 3.11Å; A426-R437 HydrophobicContact CB-CB 4.37Å; A426-R437 HydrophobicContact CB-CG 4.39Å; A426-R437 VanDerWaalsContact O-CD 3.24Å; A426-R437 WeakPolarHBondContact O-CD 3.31Å; A426-R437 WeakPolarHBondContact O-CG 3.42Å; A426-I592 HydrophobicContact CB-CD1 4.13Å; A426-I592 HydrophobicContact CB-CG1 4.12Å; A426-I592 HydrophobicContact CB-CG2 4.4Å; A426-N597 WeakPolarHBondContact CB-O 3.5Å
427	S	95.4	Very high	93.8	Very high	62 Å²	62	55 Å²	55	43%	0.434	28%	0.284	S	S	.	.			trans	-60.8	-27.5	-176.3	69.5	0	0	0	0	113.2	K435 N597	S427-K435 WeakPolarHBondContact O-CE 3.34Å; S427-K435 PolarHBondContact O-NZ 3.42Å; S427-K435 VanDerWaalsContact O-NZ 3.12Å; S427-N597 PolarHBondContact OG-ND2 3.01Å
428	G	96.8	Very high	94.1	Very high	12 Å²	12	54.4 Å²	54.4	12%	0.124	28%	0.28	C	S	.	.			trans	81.9	158.2	-172	0	0	0	0	0	112.9	A426 I436 N597	A426-G428 PolarHBondContact O-N 2.91Å; A426-G428 VanDerWaalsContact O-N 3.11Å; G428-I436 CarbonylContact C-O 3.25Å; G428-I436 VanDerWaalsContact CA-O 3.25Å; G428-I436 WeakPolarHBondContact CA-O 3.3Å; G428-N597 WeakPolarHBondContact CA-O 3.42Å; G428-N597 PolarHBondContact N-O 2.66Å
429	I	97.7	Very high	94.5	Very high	18 Å²	18	49.4 Å²	49.4	9%	0.092	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.6	168.1	-53.8	174.8	0	0	0	107.2	I431 I436 I552 P576 I578 N597 A598	I429-I431 HydrophobicContact CG2-CD1 4.23Å; I429-I431 HydrophobicContact CG2-CG1 3.85Å; I429-I436 PolarHBondContact N-O 3.17Å; I429-I436 PolarHBondContact O-N 3.44Å; I429-I552 HydrophobicContact CD1-CG2 4.14Å; I429-I552 HydrophobicContact CG2-CD1 4.32Å; I429-P576 HydrophobicContact CD1-CB 3.99Å; I429-P576 HydrophobicContact CG1-CB 4.37Å; I429-P576 HydrophobicContact CG2-CB 4.24Å; I429-I578 HydrophobicContact CD1-CD1 4.42Å; I429-I578 HydrophobicContact CD1-CG1 3.7Å; I429-N597 HydrophobicContact CD1-CB 4.1Å; I429-N597 HydrophobicContact CG1-CB 3.52Å; I429-A598 HydrophobicContact CD1-CB 4.18Å; I429-A598 HydrophobicContact CG1-CB 4.32Å
430	V	95.2	Very high	94.7	Very high	97 Å²	97	49 Å²	49	59%	0.588	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.5	178	-178.3	0	0	0	0	109.4	K434 K435	V430-K434 CarbonylContact C-O 3.4Å; V430-K434 WeakPolarHBondContact CA-O 3.33Å; V430-K435 HydrophobicContact CG2-CB 4.35Å; V430-K435 HydrophobicContact CG2-CG 4.45Å
431	I	94.4	Very high	94.8	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	178.6	-55	-175.1	0	0	0	108.3	I429 G433 K434 I436 F481 I507 P530 I552	I429-I431 HydrophobicContact CG2-CD1 4.23Å; I429-I431 HydrophobicContact CG2-CG1 3.85Å; I431-G433 PolarHBondContact O-N 2.83Å; I431-G433 VanDerWaalsContact O-N 3.12Å; I431-K434 PolarHBondContact N-O 3.41Å; I431-K434 PolarHBondContact O-N 3.25Å; I431-I436 HydrophobicContact CB-CD1 4.22Å; I431-I436 HydrophobicContact CD1-CD1 4.03Å; I431-I436 HydrophobicContact CG1-CD1 4.29Å; I431-F481 HydrophobicContact CD1-CE1 3.77Å; I431-F481 HydrophobicContact CD1-CZ 3.71Å; I431-I507 HydrophobicContact CG2-CD1 4.35Å; I431-P530 HydrophobicContact CG2-CG 3.93Å; I431-I552 HydrophobicContact CD1-CD1 3.74Å
432	F	92	Very high	95.1	Very high	139 Å²	139	48.4 Å²	48.4	61%	0.61	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	38.3	-177.6	-52.5	-52.9	0	0	0	114.1	K434 I507 V529	F432-K434 VanDerWaalsContact C-N 3.3Å; F432-K434 PolarHBondContact O-N 2.97Å; F432-I507 HydrophobicContact CD2-CB 4.47Å; F432-V529 HydrophobicContact CE2-CG1 4.11Å; F432-V529 HydrophobicContact CZ-CG1 4.16Å
433	G	89.6	Confident	95.3	Very high	70 Å²	70	50.6 Å²	50.6	72%	0.722	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-6.5	-179.5	0	0	0	0	0	115.2	I431	I431-G433 PolarHBondContact O-N 2.83Å; I431-G433 VanDerWaalsContact O-N 3.12Å
434	K	91.8	Very high	95.3	Very high	122 Å²	122	53 Å²	53	53%	0.53	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.7	175.1	-60.3	-169.8	177.4	-163.2	0	110.2	V430 I431 F432 P479	V430-K434 CarbonylContact C-O 3.4Å; V430-K434 WeakPolarHBondContact CA-O 3.33Å; I431-K434 PolarHBondContact N-O 3.41Å; I431-K434 PolarHBondContact O-N 3.25Å; F432-K434 VanDerWaalsContact C-N 3.3Å; F432-K434 PolarHBondContact O-N 2.97Å; K434-P479 HydrophobicContact CD-CG 3.79Å
435	K	95.6	Very high	95.4	Very high	110 Å²	110	53.3 Å²	53.3	48%	0.478	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.2	173.7	-174.1	180	-122.9	-163.4	0	109.2	S427 V430	S427-K435 WeakPolarHBondContact O-CE 3.34Å; S427-K435 PolarHBondContact O-NZ 3.42Å; S427-K435 VanDerWaalsContact O-NZ 3.12Å; V430-K435 HydrophobicContact CG2-CB 4.35Å; V430-K435 HydrophobicContact CG2-CG 4.45Å
436	I	97.8	Very high	95.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.7	-178.2	-59.3	173	0	0	0	108.7	G428 I429 I431 I439 D454 A455 F481 I507	G428-I436 CarbonylContact C-O 3.25Å; G428-I436 VanDerWaalsContact CA-O 3.25Å; G428-I436 WeakPolarHBondContact CA-O 3.3Å; I429-I436 PolarHBondContact N-O 3.17Å; I429-I436 PolarHBondContact O-N 3.44Å; I431-I436 HydrophobicContact CB-CD1 4.22Å; I431-I436 HydrophobicContact CD1-CD1 4.03Å; I431-I436 HydrophobicContact CG1-CD1 4.29Å; I436-I439 HydrophobicContact CG2-CD1 3.93Å; I436-I439 HydrophobicContact CG2-CG1 3.58Å; I436-D454 HydrophobicContact CB-CB 4.45Å; I436-D454 HydrophobicContact CG2-CB 4.18Å; I436-A455 HydrophobicContact CD1-CB 4.22Å; I436-A455 HydrophobicContact CG2-CB 3.9Å; I436-F481 HydrophobicContact CD1-CE2 4.19Å; I436-F481 HydrophobicContact CD1-CZ 3.65Å; I436-F481 HydrophobicContact CG2-CE2 4.44Å; I436-I507 HydrophobicContact CD1-CD1 3.5Å
437	R	98	Very high	95.3	Very high	65 Å²	65	49.9 Å²	49.9	25%	0.245	28%	0.277	C	S	.	.			trans	-112.7	-43.9	174.2	-70.2	172.1	-70.5	-150.3	-0.8	111.5	I423 Q424 A426 D454 A598 I599	I423-R437 HydrophobicContact CG2-CB 4.34Å; I423-R437 WeakPolarHBondContact CG2-O 3.45Å; Q424-R437 VanDerWaalsContact OE1-NE 3.11Å; A426-R437 HydrophobicContact CB-CB 4.37Å; A426-R437 HydrophobicContact CB-CG 4.39Å; A426-R437 VanDerWaalsContact O-CD 3.24Å; A426-R437 WeakPolarHBondContact O-CD 3.31Å; A426-R437 WeakPolarHBondContact O-CG 3.42Å; R437-D454 WeakPolarHBondContact CA-OD2 2.85Å; R437-D454 WeakPolarHBondContact CB-OD2 3.49Å; R437-D454 PolarHBondContact N-OD2 3.48Å; R437-A598 CarbonylContact O-C 3.48Å; R437-A598 VanDerWaalsContact O-CA 3.28Å; R437-A598 WeakPolarHBondContact O-CA 3.44Å; R437-A598 WeakPolarHBondContact O-CB 3.25Å; R437-I599 PolarHBondContact O-N 3.41Å
438	S	98	Very high	95.4	Very high	1 Å²	1	47 Å²	47	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.9	179.8	58	0	0	0	0	111.3	A453 D454 A455	S438-A453 WeakPolarHBondContact OG-CA 3.4Å; S438-D454 PolarHBondContact N-OD2 2.93Å; S438-D454 WeakPolarHBondContact O-CB 3.45Å; S438-D454 PolarHBondContact O-N 2.86Å; S438-D454 PolarHBondContact OG-N 3.26Å; S438-D454 PolarHBondContact OG-OD2 2.81Å; S438-A455 PolarHBondContact O-N 3Å; S438-A455 VanDerWaalsContact O-N 3.17Å
439	I	98.3	Very high	95.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.6	178.5	-56.7	173.2	0	0	0	108.3	I436 A455 I457 F481 I578 A598 I599 T600 Y601	I436-I439 HydrophobicContact CG2-CD1 3.93Å; I436-I439 HydrophobicContact CG2-CG1 3.58Å; I439-A455 CarbonylContact C-O 2.97Å; I439-A455 VanDerWaalsContact CA-O 3.29Å; I439-A455 WeakPolarHBondContact CA-O 3.43Å; I439-A455 HydrophobicContact CG1-CB 4.4Å; I439-I457 HydrophobicContact CG2-CB 3.6Å; I439-I457 HydrophobicContact CG2-CG2 3.57Å; I439-F481 HydrophobicContact CD1-CD2 4.41Å; I439-F481 HydrophobicContact CD1-CE2 3.82Å; I439-F481 HydrophobicContact CG1-CE2 4.27Å; I439-F481 HydrophobicContact CG2-CD2 4.24Å; I439-F481 HydrophobicContact CG2-CE2 4.47Å; I439-I578 HydrophobicContact CD1-CD1 3.64Å; I439-I578 HydrophobicContact CD1-CG1 3.88Å; I439-I578 HydrophobicContact CD1-CG2 3.81Å; I439-A598 HydrophobicContact CD1-CB 4.16Å; I439-I599 PolarHBondContact N-O 3.39Å; I439-T600 CarbonylContact O-C 3.6Å; I439-T600 VanDerWaalsContact O-CA 3.25Å; I439-T600 WeakPolarHBondContact O-CA 3.41Å; I439-Y601 PolarHBondContact O-N 3.31Å
440	I	97.1	Very high	94.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.2	177.1	-164.3	163.7	0	0	0	110.3	V417 T442 I447 T451 A453 A455 V456 I457 I478 Y601 P603	V417-I440 HydrophobicContact CG1-CD1 4.02Å; I440-T442 HydrophobicContact CD1-CG2 4.46Å; I440-T442 HydrophobicContact CG1-CG2 4.1Å; I440-T442 HydrophobicContact CG2-CG2 4.21Å; I440-I447 HydrophobicContact CD1-CG2 3.55Å; I440-T451 HydrophobicContact CD1-CG2 4.17Å; I440-T451 WeakPolarHBondContact CD1-OG1 3.44Å; I440-T451 HydrophobicContact CG2-CG2 4.27Å; I440-A453 HydrophobicContact CB-CB 3.77Å; I440-A453 HydrophobicContact CG2-CB 3.98Å; I440-A455 PolarHBondContact N-O 2.95Å; I440-V456 HydrophobicContact CG2-CB 3.68Å; I440-V456 HydrophobicContact CG2-CG2 3.93Å; I440-V456 CarbonylContact O-C 3.6Å; I440-V456 WeakPolarHBondContact O-CA 3.46Å; I440-V456 WeakPolarHBondContact O-CG2 3.31Å; I440-I457 PolarHBondContact O-N 3.08Å; I440-I478 HydrophobicContact CG2-CD1 4.37Å; I440-Y601 CarbonylContact C-O 3.59Å; I440-P603 HydrophobicContact CD1-CB 3.86Å; I440-P603 HydrophobicContact CD1-CG 3.81Å; I440-P603 HydrophobicContact CG1-CB 4.15Å; I440-P603 HydrophobicContact CG1-CG 3.71Å
441	F	96.5	Very high	94.8	Very high	81 Å²	81	50.3 Å²	50.3	36%	0.355	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	97.5	177.4	177.4	-135.4	0	0	0	110.7	I457 V459 T600 Y601 T602 P603	F441-I457 HydrophobicContact CB-CG2 3.91Å; F441-I457 HydrophobicContact CD2-CG2 3.88Å; F441-I457 WeakPolarHBondContact CD2-O 3.26Å; F441-I457 HydrophobicContact CG-CG2 4.31Å; F441-V459 HydrophobicContact CE2-CB 3.99Å; F441-V459 VanDerWaalsContact CE2-O 3.27Å; F441-V459 WeakPolarHBondContact CE2-O 3.27Å; F441-T600 HydrophobicContact CB-CG2 3.57Å; F441-T600 HydrophobicContact CG-CG2 4.34Å; F441-Y601 PolarHBondContact N-O 3.18Å; F441-T602 HydrophobicContact CD1-CG2 4.47Å; F441-P603 VanDerWaalsContact O-CD 3.25Å; F441-P603 WeakPolarHBondContact O-CD 3.41Å
442	T	95.9	Very high	94.8	Very high	18 Å²	18	52.5 Å²	52.5	11%	0.11	27%	0.272	C	S	.	.			trans	-162.6	160.6	-179.8	-174.3	0	0	0	0	111.4	I440 D444 I447 I448 V456	I440-T442 HydrophobicContact CD1-CG2 4.46Å; I440-T442 HydrophobicContact CG1-CG2 4.1Å; I440-T442 HydrophobicContact CG2-CG2 4.21Å; T442-D444 WeakPolarHBondContact OG1-CB 3.5Å; T442-D444 PolarHBondContact OG1-N 3.21Å; T442-I447 HydrophobicContact CG2-CB 4.36Å; T442-I447 HydrophobicContact CG2-CG2 3.98Å; T442-I448 HydrophobicContact CG2-CD1 4.18Å; T442-I448 HydrophobicContact CG2-CG1 3.54Å; T442-V456 HydrophobicContact CG2-CG2 4.25Å
443	T	95.4	Very high	95	Very high	61 Å²	61	46 Å²	46	37%	0.374	24%	0.243	S	C	.	.			trans	-117.6	3.9	165.4	60.1	0	0	0	0	111.9	I445 Y460 I472	T443-I445 PolarHBondContact O-N 3.19Å; T443-Y460 HydrophobicContact CG2-CD1 3.75Å; T443-Y460 HydrophobicContact CG2-CG 4.35Å; T443-I472 HydrophobicContact CG2-CD1 3.93Å
444	D	95.3	Very high	95.4	Very high	50 Å²	50	44.7 Å²	44.7	27%	0.267	22%	0.22	S	C	.	.			trans	-77.8	107.9	179.9	-172.1	-45.7	0	0	0	109.3	T442 A446 I447 I448 N606	T442-D444 WeakPolarHBondContact OG1-CB 3.5Å; T442-D444 PolarHBondContact OG1-N 3.21Å; D444-A446 PolarHBondContact O-N 2.54Å; D444-A446 WeakPolarHBondContact OD1-CA 3.47Å; D444-A446 VanDerWaalsContact OD1-CB 3.31Å; D444-A446 WeakPolarHBondContact OD1-CB 3.29Å; D444-A446 PolarHBondContact OD1-N 3.21Å; D444-I447 HydrophobicContact CB-CB 4.16Å; D444-I447 HydrophobicContact CB-CD1 3.95Å; D444-I447 HydrophobicContact CB-CG1 4.03Å; D444-I447 PolarHBondContact O-N 3.12Å; D444-I447 PolarHBondContact OD1-N 3.28Å; D444-I448 VanDerWaalsContact O-CG1 3.27Å; D444-I448 WeakPolarHBondContact O-CG1 3.42Å; D444-I448 PolarHBondContact O-N 2.86Å; D444-N606 WeakPolarHBondContact OD2-CB 3.31Å
445	I	94.5	Very high	95.7	Very high	73 Å²	73	38.9 Å²	38.9	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-57.4	-33.6	-177.4	-70.5	170.1	0	0	0	112.1	T443 I448 R449 A475	T443-I445 PolarHBondContact O-N 3.19Å; I445-I448 PolarHBondContact O-N 3.47Å; I445-R449 WeakPolarHBondContact O-CB 3.41Å; I445-R449 PolarHBondContact O-N 3.34Å; I445-A475 HydrophobicContact CB-CB 4.36Å; I445-A475 HydrophobicContact CG1-CB 4.26Å; I445-A475 HydrophobicContact CG2-CB 3.34Å
446	A	92.7	Very high	95.8	Very high	49 Å²	49	33.7 Å²	33.7	41%	0.405	17%	0.172	S	C	.	.	H	α-helix	trans	-68.6	-39.1	178.2	0	0	0	0	0	111.2	D444 N450	D444-A446 PolarHBondContact O-N 2.54Å; D444-A446 WeakPolarHBondContact OD1-CA 3.47Å; D444-A446 VanDerWaalsContact OD1-CB 3.31Å; D444-A446 WeakPolarHBondContact OD1-CB 3.29Å; D444-A446 PolarHBondContact OD1-N 3.21Å; A446-N450 WeakPolarHBondContact O-CB 3.49Å; A446-N450 PolarHBondContact O-N 2.97Å; A446-N450 PolarHBondContact O-ND2 2.99Å
447	I	94.3	Very high	95.8	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.036	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-44.2	173.8	-63.8	178.4	0	0	0	110.6	V417 I440 T442 D444 R449 N450 P603 P604 L609	V417-I447 HydrophobicContact CB-CG2 4.34Å; V417-I447 HydrophobicContact CG1-CG2 4.41Å; V417-I447 HydrophobicContact CG2-CG2 4.06Å; I440-I447 HydrophobicContact CD1-CG2 3.55Å; T442-I447 HydrophobicContact CG2-CB 4.36Å; T442-I447 HydrophobicContact CG2-CG2 3.98Å; D444-I447 HydrophobicContact CB-CB 4.16Å; D444-I447 HydrophobicContact CB-CD1 3.95Å; D444-I447 HydrophobicContact CB-CG1 4.03Å; D444-I447 PolarHBondContact O-N 3.12Å; D444-I447 PolarHBondContact OD1-N 3.28Å; I447-R449 VanDerWaalsContact C-N 3.29Å; I447-R449 PolarHBondContact O-N 2.92Å; I447-N450 CarbonylContact O-C 3.58Å; I447-N450 VanDerWaalsContact O-C 3.25Å; I447-N450 PolarHBondContact O-N 3.3Å; I447-P603 HydrophobicContact CD1-CG 4.25Å; I447-P603 HydrophobicContact CG2-CB 4.2Å; I447-P603 HydrophobicContact CG2-CG 3.94Å; I447-P604 WeakPolarHBondContact CD1-O 3Å; I447-L609 HydrophobicContact CD1-CD1 4.42Å; I447-L609 HydrophobicContact CG1-CD1 4.32Å
448	I	95.8	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-40.1	-178.4	-67.3	172.4	0	0	0	111.4	T442 D444 I445 N450 V456 I472 A476	T442-I448 HydrophobicContact CG2-CD1 4.18Å; T442-I448 HydrophobicContact CG2-CG1 3.54Å; D444-I448 VanDerWaalsContact O-CG1 3.27Å; D444-I448 WeakPolarHBondContact O-CG1 3.42Å; D444-I448 PolarHBondContact O-N 2.86Å; I445-I448 PolarHBondContact O-N 3.47Å; I448-N450 VanDerWaalsContact C-N 3.28Å; I448-N450 PolarHBondContact O-N 3.45Å; I448-V456 HydrophobicContact CD1-CG2 3.94Å; I448-V456 HydrophobicContact CG1-CG2 3.96Å; I448-V456 HydrophobicContact CG2-CG1 4.22Å; I448-I472 HydrophobicContact CD1-CG1 4.49Å; I448-I472 HydrophobicContact CD1-CG2 3.75Å; I448-A476 HydrophobicContact CG2-CB 3.58Å
449	R	93.2	Very high	95.5	Very high	124 Å²	124	31.7 Å²	31.7	47%	0.468	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.3	177.8	-163.6	71	-175.3	179.7	2.1	113.7	I445 I447 A475	I445-R449 WeakPolarHBondContact O-CB 3.41Å; I445-R449 PolarHBondContact O-N 3.34Å; I447-R449 VanDerWaalsContact C-N 3.29Å; I447-R449 PolarHBondContact O-N 2.92Å; R449-A475 WeakPolarHBondContact CD-O 3.41Å; R449-A475 PolarHBondContact NH1-O 2.99Å
450	N	92.2	Very high	95.2	Very high	59 Å²	59	33.1 Å²	33.1	32%	0.316	17%	0.173	S	C	.	.	S	Bend	trans	-133.4	60.7	-173	-64.3	-85.8	0	0	0	110	I416 V417 A446 I447 I448	I416-N450 WeakPolarHBondContact CB-O 3.48Å; I416-N450 HydrophobicContact CG2-CB 4.12Å; V417-N450 WeakPolarHBondContact CB-O 3.29Å; V417-N450 PolarHBondContact N-O 3.45Å; A446-N450 WeakPolarHBondContact O-CB 3.49Å; A446-N450 PolarHBondContact O-N 2.97Å; A446-N450 PolarHBondContact O-ND2 2.99Å; I447-N450 CarbonylContact O-C 3.58Å; I447-N450 VanDerWaalsContact O-C 3.25Å; I447-N450 PolarHBondContact O-N 3.3Å; I448-N450 VanDerWaalsContact C-N 3.28Å; I448-N450 PolarHBondContact O-N 3.45Å
451	T	93.5	Very high	94.7	Very high	15 Å²	15	38.6 Å²	38.6	9%	0.092	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-144.6	159.5	176.5	-173.4	0	0	0	0	111.4	V417 I440 A453 I478	V417-T451 WeakPolarHBondContact O-CA 3.31Å; V417-T451 WeakPolarHBondContact O-CB 3.37Å; V417-T451 PolarHBondContact O-OG1 3.31Å; I440-T451 HydrophobicContact CD1-CG2 4.17Å; I440-T451 WeakPolarHBondContact CD1-OG1 3.44Å; I440-T451 HydrophobicContact CG2-CG2 4.27Å; T451-A453 HydrophobicContact CG2-CB 4.16Å; T451-A453 PolarHBondContact OG1-N 3.37Å; T451-I478 HydrophobicContact CG2-CD1 3.78Å
452	D	92.8	Very high	94.2	Very high	56 Å²	56	42 Å²	42	30%	0.299	22%	0.223	S	C	.	.			trans	-99.4	9.4	173.2	66.5	-7.1	0	0	0	113.4	I416 V417 R418 V419	I416-D452 HydrophobicContact CD1-CB 4.02Å; V417-D452 PolarHBondContact O-N 3.21Å; R418-D452 VanDerWaalsContact CA-OD1 3.27Å; R418-D452 WeakPolarHBondContact CA-OD1 3.06Å; V419-D452 PolarHBondContact N-OD1 3.44Å
453	A	96.6	Very high	93.9	Very high	2 Å²	2	44 Å²	44	2%	0.017	24%	0.236	C	C	.	.			trans	-64.6	145.7	178.2	0	0	0	0	0	112.3	V419 S438 I440 T451 A455 I478	V419-A453 HydrophobicContact CG1-CB 3.76Å; S438-A453 WeakPolarHBondContact OG-CA 3.4Å; I440-A453 HydrophobicContact CB-CB 3.77Å; I440-A453 HydrophobicContact CG2-CB 3.98Å; T451-A453 HydrophobicContact CG2-CB 4.16Å; T451-A453 PolarHBondContact OG1-N 3.37Å; A453-A455 VanDerWaalsContact C-N 3.25Å; A453-A455 PolarHBondContact O-N 3.45Å; A453-I478 HydrophobicContact CB-CD1 4.25Å; A453-I478 WeakPolarHBondContact O-CD1 3.04Å
454	D	97.8	Very high	93.6	Very high	43 Å²	43	41.6 Å²	41.6	23%	0.23	22%	0.221	C	C	.	.	S	Bend	trans	-70.2	-22.1	179.5	-61.1	-46.1	0	0	0	112.8	I436 R437 S438 P479	I436-D454 HydrophobicContact CB-CB 4.45Å; I436-D454 HydrophobicContact CG2-CB 4.18Å; R437-D454 WeakPolarHBondContact CA-OD2 2.85Å; R437-D454 WeakPolarHBondContact CB-OD2 3.49Å; R437-D454 PolarHBondContact N-OD2 3.48Å; S438-D454 PolarHBondContact N-OD2 2.93Å; S438-D454 WeakPolarHBondContact O-CB 3.45Å; S438-D454 PolarHBondContact O-N 2.86Å; S438-D454 PolarHBondContact OG-N 3.26Å; S438-D454 PolarHBondContact OG-OD2 2.81Å; D454-P479 VanDerWaalsContact O-CD 3.28Å; D454-P479 WeakPolarHBondContact O-CD 3.45Å
455	A	98.3	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	167.8	177	0	0	0	0	0	111.7	I436 S438 I439 I440 A453 P479 F481	I436-A455 HydrophobicContact CD1-CB 4.22Å; I436-A455 HydrophobicContact CG2-CB 3.9Å; S438-A455 PolarHBondContact O-N 3Å; S438-A455 VanDerWaalsContact O-N 3.17Å; I439-A455 CarbonylContact C-O 2.97Å; I439-A455 VanDerWaalsContact CA-O 3.29Å; I439-A455 WeakPolarHBondContact CA-O 3.43Å; I439-A455 HydrophobicContact CG1-CB 4.4Å; I440-A455 PolarHBondContact N-O 2.95Å; A453-A455 VanDerWaalsContact C-N 3.25Å; A453-A455 PolarHBondContact O-N 3.45Å; A455-P479 CarbonylContact C-O 3.31Å; A455-P479 VanDerWaalsContact CA-O 3.25Å; A455-P479 WeakPolarHBondContact CA-O 3.32Å; A455-P479 HydrophobicContact CB-CB 4.18Å; A455-P479 WeakPolarHBondContact CB-O 3.39Å; A455-F481 HydrophobicContact CB-CD2 4.24Å; A455-F481 HydrophobicContact CB-CE2 3.75Å
456	V	98	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.9	170	54.3	0	0	0	0	110.9	I440 T442 I448 I478 P479 V480 F481	I440-V456 HydrophobicContact CG2-CB 3.68Å; I440-V456 HydrophobicContact CG2-CG2 3.93Å; I440-V456 CarbonylContact O-C 3.6Å; I440-V456 WeakPolarHBondContact O-CA 3.46Å; I440-V456 WeakPolarHBondContact O-CG2 3.31Å; T442-V456 HydrophobicContact CG2-CG2 4.25Å; I448-V456 HydrophobicContact CD1-CG2 3.94Å; I448-V456 HydrophobicContact CG1-CG2 3.96Å; I448-V456 HydrophobicContact CG2-CG1 4.22Å; V456-I478 HydrophobicContact CB-CD1 4.37Å; V456-I478 HydrophobicContact CG1-CG1 4.41Å; V456-P479 PolarHBondContact N-O 3.37Å; V456-V480 HydrophobicContact CG1-CB 4.02Å; V456-V480 HydrophobicContact CG1-CG1 4.06Å; V456-V480 HydrophobicContact CG1-CG2 3.59Å; V456-F481 PolarHBondContact O-N 3.24Å
457	I	97.8	Very high	93.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	106.9	165.5	-171.2	165.4	0	0	0	109.6	I439 I440 F441 V459 F481 V510 T600	I439-I457 HydrophobicContact CG2-CB 3.6Å; I439-I457 HydrophobicContact CG2-CG2 3.57Å; I440-I457 PolarHBondContact O-N 3.08Å; F441-I457 HydrophobicContact CB-CG2 3.91Å; F441-I457 HydrophobicContact CD2-CG2 3.88Å; F441-I457 WeakPolarHBondContact CD2-O 3.26Å; F441-I457 HydrophobicContact CG-CG2 4.31Å; I457-V459 HydrophobicContact CG1-CG2 3.97Å; I457-V459 PolarHBondContact O-N 3.37Å; I457-F481 HydrophobicContact CB-CB 4.38Å; I457-F481 HydrophobicContact CG1-CB 4.21Å; I457-V510 HydrophobicContact CD1-CG1 4.26Å; I457-V510 HydrophobicContact CD1-CG2 3.88Å; I457-V510 HydrophobicContact CG1-CG2 3.96Å; I457-T600 HydrophobicContact CG2-CG2 3.74Å
458	A	96.5	Very high	93.4	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	78.2	-173.9	0	0	0	0	0	110.5	I472 V480 F481 G483	A458-I472 HydrophobicContact CB-CD1 3.91Å; A458-I472 HydrophobicContact CB-CG2 3.88Å; A458-V480 HydrophobicContact CB-CG1 4.2Å; A458-F481 PolarHBondContact N-O 3.17Å; A458-G483 PolarHBondContact O-N 3.02Å
459	V	93.9	Very high	93.3	Very high	20 Å²	20	46 Å²	46	12%	0.121	25%	0.245	C	C	.	.			trans	-116.1	136.7	177.7	171.1	0	0	0	0	109.7	F441 I457 V510 N512	F441-V459 HydrophobicContact CE2-CB 3.99Å; F441-V459 VanDerWaalsContact CE2-O 3.27Å; F441-V459 WeakPolarHBondContact CE2-O 3.27Å; I457-V459 HydrophobicContact CG1-CG2 3.97Å; I457-V459 PolarHBondContact O-N 3.37Å; V459-V510 HydrophobicContact CG2-CB 3.93Å; V459-V510 HydrophobicContact CG2-CG1 3.85Å; V459-V510 HydrophobicContact CG2-CG2 4.35Å; V459-N512 WeakPolarHBondContact CG1-ND2 3.46Å
460	Y	91	Very high	93.4	Very high	32 Å²	32	41.9 Å²	41.9	13%	0.125	23%	0.23	C	C	.	.			trans	-142.5	156.4	-178.5	50	-88.6	0	0	0	110.8	T443 F462 P464 H465 I468	T443-Y460 HydrophobicContact CG2-CD1 3.75Å; T443-Y460 HydrophobicContact CG2-CG 4.35Å; Y460-F462 HydrophobicContact CD2-CB 3.95Å; Y460-F462 HydrophobicContact CD2-CD2 4.15Å; Y460-F462 HydrophobicContact CE2-CB 4.31Å; Y460-F462 PolarHBondContact O-N 3.28Å; Y460-F462 VanDerWaalsContact O-N 3.14Å; Y460-P464 WeakPolarHBondContact OH-CA 3.43Å; Y460-H465 PolarHBondContact OH-N 2.97Å; Y460-I468 HydrophobicContact CD1-CG2 4.37Å; Y460-I468 HydrophobicContact CE1-CB 4.45Å; Y460-I468 HydrophobicContact CE1-CG2 3.62Å; Y460-I468 HydrophobicContact CE2-CD1 3.98Å
461	P	86.5	Confident	93.5	Very high	114 Å²	114	41.7 Å²	41.7	74%	0.74	23%	0.234	S	C	*	.	S	Bend	trans	-79.8	9.5	-170	33.3	-37.7	0	0	0	114.5
462	F	87.1	Confident	93.7	Very high	152 Å²	152	41.2 Å²	41.2	67%	0.667	23%	0.231	S	C	*	.	S	Bend	trans	-106.6	164	179.8	-49.2	-72.2	0	0	0	110.5	Y460 P464	Y460-F462 HydrophobicContact CD2-CB 3.95Å; Y460-F462 HydrophobicContact CD2-CD2 4.15Å; Y460-F462 HydrophobicContact CE2-CB 4.31Å; Y460-F462 PolarHBondContact O-N 3.28Å; Y460-F462 VanDerWaalsContact O-N 3.14Å; F462-P464 WeakPolarHBondContact O-CD 3.33Å
463	T	87.8	Confident	93.8	Very high	61 Å²	61	39.6 Å²	39.6	37%	0.374	22%	0.222	S	C	.	.			trans	-55.4	125.7	173.9	-56.2	0	0	0	0	110	H465 T489 R493	T463-H465 PolarHBondContact O-N 2.87Å; T463-T489 HydrophobicContact CG2-CG2 4.33Å; T463-R493 VanDerWaalsContact CG2-CZ 3.41Å; T463-R493 VanDerWaalsContact CG2-NH2 3.29Å
464	P	89.6	Confident	93.7	Very high	10 Å²	10	44 Å²	44	7%	0.065	24%	0.242	C	C	.	.			trans	-52.7	133	177.2	-29.2	35.5	0	0	0	112	Y460 F462 G483 T489 M497	Y460-P464 WeakPolarHBondContact OH-CA 3.43Å; F462-P464 WeakPolarHBondContact O-CD 3.33Å; P464-G483 WeakPolarHBondContact CG-O 3.43Å; P464-T489 WeakPolarHBondContact CD-OG1 3.5Å; P464-M497 HydrophobicContact CB-CE 3.82Å; P464-M497 HydrophobicContact CB-CG 4.1Å; P464-M497 HydrophobicContact CB-SD 4.42Å
465	H	91.8	Very high	93.5	Very high	97 Å²	97	43 Å²	43	45%	0.449	24%	0.239	S	C	.	.			trans	-125.3	130.1	-176.7	-166.1	-79.8	0	0	0	110.5	Y460 T463 A467 I468 T469	Y460-H465 PolarHBondContact OH-N 2.97Å; T463-H465 PolarHBondContact O-N 2.87Å; H465-A467 VanDerWaalsContact C-N 3.27Å; H465-A467 VanDerWaalsContact ND1-CB 3.34Å; H465-A467 WeakPolarHBondContact ND1-CB 3.34Å; H465-A467 PolarHBondContact ND1-N 3.41Å; H465-A467 VanDerWaalsContact ND1-N 3.14Å; H465-A467 PolarHBondContact O-N 2.82Å; H465-I468 HydrophobicContact CB-CD1 4.05Å; H465-I468 HydrophobicContact CB-CG1 4.18Å; H465-I468 PolarHBondContact O-N 2.93Å; H465-T469 PolarHBondContact O-N 2.89Å; H465-T469 VanDerWaalsContact O-N 3.12Å
466	P	92.8	Very high	93.4	Very high	51 Å²	51	43.8 Å²	43.8	33%	0.331	25%	0.246	S	C	.	.	H	α-helix	trans	-52.8	-41.6	-178.6	-29.8	36.2	0	0	0	113.7	I468 T469 K470 M497 F500	P466-I468 PolarHBondContact O-N 3.21Å; P466-T469 PolarHBondContact O-N 3.44Å; P466-K470 VanDerWaalsContact O-CB 3.27Å; P466-K470 WeakPolarHBondContact O-CB 3.4Å; P466-K470 PolarHBondContact O-N 3.11Å; P466-M497 HydrophobicContact CG-CE 4.43Å; P466-M497 HydrophobicContact CG-SD 3.84Å; P466-F500 VanDerWaalsContact CA-CE1 3.49Å; P466-F500 HydrophobicContact CB-CD1 4.03Å; P466-F500 HydrophobicContact CB-CD2 4.43Å; P466-F500 HydrophobicContact CB-CE1 3.62Å; P466-F500 HydrophobicContact CB-CE2 4.06Å; P466-F500 HydrophobicContact CB-CG 4.42Å; P466-F500 HydrophobicContact CB-CZ 3.63Å; P466-F500 VanDerWaalsContact O-CE1 3.27Å; P466-F500 WeakPolarHBondContact O-CE1 3.41Å
467	A	94.2	Very high	93.1	Very high	52 Å²	52	48.2 Å²	48.2	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-42.6	177.4	0	0	0	0	0	113.1	H465 S471	H465-A467 VanDerWaalsContact C-N 3.27Å; H465-A467 VanDerWaalsContact ND1-CB 3.34Å; H465-A467 WeakPolarHBondContact ND1-CB 3.34Å; H465-A467 PolarHBondContact ND1-N 3.41Å; H465-A467 VanDerWaalsContact ND1-N 3.14Å; H465-A467 PolarHBondContact O-N 2.82Å; A467-S471 WeakPolarHBondContact O-CB 3.36Å; A467-S471 PolarHBondContact O-N 3.4Å; A467-S471 PolarHBondContact O-OG 2.71Å
468	I	94	Very high	93	Very high	68 Å²	68	49.5 Å²	49.5	35%	0.349	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-48.4	178.9	-62.5	173.7	0	0	0	109.7	Y460 H465 P466 K470 S471 I472	Y460-I468 HydrophobicContact CD1-CG2 4.37Å; Y460-I468 HydrophobicContact CE1-CB 4.45Å; Y460-I468 HydrophobicContact CE1-CG2 3.62Å; Y460-I468 HydrophobicContact CE2-CD1 3.98Å; H465-I468 HydrophobicContact CB-CD1 4.05Å; H465-I468 HydrophobicContact CB-CG1 4.18Å; H465-I468 PolarHBondContact O-N 2.93Å; P466-I468 PolarHBondContact O-N 3.21Å; I468-K470 PolarHBondContact O-N 2.66Å; I468-S471 PolarHBondContact O-N 3.12Å; I468-I472 HydrophobicContact CG2-CD1 3.74Å; I468-I472 HydrophobicContact CG2-CG1 4.45Å; I468-I472 WeakPolarHBondContact O-CG1 3.16Å; I468-I472 PolarHBondContact O-N 2.81Å
469	T	94	Very high	93.1	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-47.9	178.6	-62.6	0	0	0	0	111.2	H465 P466 I472 I473 F500 A501	H465-T469 PolarHBondContact O-N 2.89Å; H465-T469 VanDerWaalsContact O-N 3.12Å; P466-T469 PolarHBondContact O-N 3.44Å; T469-I472 PolarHBondContact O-N 3.25Å; T469-I473 HydrophobicContact CG2-CD1 3.61Å; T469-I473 WeakPolarHBondContact O-CD1 3.49Å; T469-I473 VanDerWaalsContact O-CG1 3.25Å; T469-I473 WeakPolarHBondContact O-CG1 3.08Å; T469-I473 PolarHBondContact O-N 2.82Å; T469-F500 HydrophobicContact CG2-CD1 4.22Å; T469-F500 HydrophobicContact CG2-CE1 4.24Å; T469-A501 HydrophobicContact CG2-CB 3.88Å
470	K	94.9	Very high	93.3	Very high	36 Å²	36	49.3 Å²	49.3	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-52.1	176.2	-178.2	-178.2	179.9	-139.5	0	111.2	F231 P466 I468 I472 I473 E474 F500	F231-K470 VanDerWaalsContact CG-NZ 3.27Å; P466-K470 VanDerWaalsContact O-CB 3.27Å; P466-K470 WeakPolarHBondContact O-CB 3.4Å; P466-K470 PolarHBondContact O-N 3.11Å; I468-K470 PolarHBondContact O-N 2.66Å; K470-I472 VanDerWaalsContact C-N 3.28Å; K470-I472 PolarHBondContact O-N 3.15Å; K470-I473 PolarHBondContact O-N 3.27Å; K470-E474 VanDerWaalsContact CE-OE2 3.25Å; K470-E474 WeakPolarHBondContact CE-OE2 3.35Å; K470-E474 IonicContact NZ-OE2 3.79Å; K470-E474 WeakPolarHBondContact O-CB 3.27Å; K470-E474 PolarHBondContact O-N 3.1Å; K470-F500 HydrophobicContact CB-CE1 4.36Å; K470-F500 HydrophobicContact CB-CZ 4.19Å
471	S	95.6	Very high	93.7	Very high	56 Å²	56	47.9 Å²	47.9	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-36.9	-178	-65.2	0	0	0	0	113	A467 I468 A475	A467-S471 WeakPolarHBondContact O-CB 3.36Å; A467-S471 PolarHBondContact O-N 3.4Å; A467-S471 PolarHBondContact O-OG 2.71Å; I468-S471 PolarHBondContact O-N 3.12Å; S471-A475 VanDerWaalsContact O-CB 3.28Å; S471-A475 WeakPolarHBondContact O-CB 3.23Å; S471-A475 PolarHBondContact O-N 3.05Å
472	I	96.1	Very high	94.2	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-68.9	-48.6	176.1	-69.5	171.1	0	0	0	111	T443 I448 A458 I468 T469 K470 A475 A476 V480	T443-I472 HydrophobicContact CG2-CD1 3.93Å; I448-I472 HydrophobicContact CD1-CG1 4.49Å; I448-I472 HydrophobicContact CD1-CG2 3.75Å; A458-I472 HydrophobicContact CB-CD1 3.91Å; A458-I472 HydrophobicContact CB-CG2 3.88Å; I468-I472 HydrophobicContact CG2-CD1 3.74Å; I468-I472 HydrophobicContact CG2-CG1 4.45Å; I468-I472 WeakPolarHBondContact O-CG1 3.16Å; I468-I472 PolarHBondContact O-N 2.81Å; T469-I472 PolarHBondContact O-N 3.25Å; K470-I472 VanDerWaalsContact C-N 3.28Å; K470-I472 PolarHBondContact O-N 3.15Å; I472-A475 PolarHBondContact O-N 3.5Å; I472-A476 WeakPolarHBondContact O-CB 3.48Å; I472-A476 PolarHBondContact O-N 2.81Å; I472-V480 HydrophobicContact CG2-CG1 4.06Å
473	I	95.9	Very high	94.6	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.108	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-41.8	-178	-62.6	164.7	0	0	0	111.3	T469 K470 A475 A476 V480 Q504	T469-I473 HydrophobicContact CG2-CD1 3.61Å; T469-I473 WeakPolarHBondContact O-CD1 3.49Å; T469-I473 VanDerWaalsContact O-CG1 3.25Å; T469-I473 WeakPolarHBondContact O-CG1 3.08Å; T469-I473 PolarHBondContact O-N 2.82Å; K470-I473 PolarHBondContact O-N 3.27Å; I473-A475 VanDerWaalsContact C-N 3.3Å; I473-A475 PolarHBondContact O-N 3.44Å; I473-A476 PolarHBondContact O-N 3.14Å; I473-V480 HydrophobicContact CG1-CB 4.04Å; I473-V480 HydrophobicContact CG1-CG1 3.92Å; I473-V480 HydrophobicContact CG1-CG2 4.21Å; I473-Q504 HydrophobicContact CD1-CB 3.73Å; I473-Q504 WeakPolarHBondContact CG2-O 3.4Å
474	E	94.8	Very high	95	Very high	95 Å²	95	32.6 Å²	32.6	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-64.9	-34	179.3	-173.1	172.3	176	0	0	112	K470	K470-E474 VanDerWaalsContact CE-OE2 3.25Å; K470-E474 WeakPolarHBondContact CE-OE2 3.35Å; K470-E474 IonicContact NZ-OE2 3.79Å; K470-E474 WeakPolarHBondContact O-CB 3.27Å; K470-E474 PolarHBondContact O-N 3.1Å
475	A	93.4	Very high	95	Very high	21 Å²	21	32.3 Å²	32.3	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-84.6	-25.9	177.9	0	0	0	0	0	113.9	I445 R449 S471 I472 I473	I445-A475 HydrophobicContact CB-CB 4.36Å; I445-A475 HydrophobicContact CG1-CB 4.26Å; I445-A475 HydrophobicContact CG2-CB 3.34Å; R449-A475 WeakPolarHBondContact CD-O 3.41Å; R449-A475 PolarHBondContact NH1-O 2.99Å; S471-A475 VanDerWaalsContact O-CB 3.28Å; S471-A475 WeakPolarHBondContact O-CB 3.23Å; S471-A475 PolarHBondContact O-N 3.05Å; I472-A475 PolarHBondContact O-N 3.5Å; I473-A475 VanDerWaalsContact C-N 3.3Å; I473-A475 PolarHBondContact O-N 3.44Å
476	A	95.1	Very high	94.7	Very high	17 Å²	17	28.3 Å²	28.3	14%	0.14	17%	0.171	C	C	.	.			trans	-69.7	131.6	-178.1	0	0	0	0	0	112.2	I448 I472 I473 I478 V480	I448-A476 HydrophobicContact CG2-CB 3.58Å; I472-A476 WeakPolarHBondContact O-CB 3.48Å; I472-A476 PolarHBondContact O-N 2.81Å; I473-A476 PolarHBondContact O-N 3.14Å; A476-I478 WeakPolarHBondContact CB-O 3.24Å; A476-V480 HydrophobicContact CB-CG2 3.44Å; A476-V480 VanDerWaalsContact CB-CG2 3.44Å
477	D	92.7	Very high	94	Very high	93 Å²	93	27.8 Å²	27.8	50%	0.497	18%	0.175	S	C	.	.	S	Bend	trans	-93.8	-6.2	165.9	52.3	-4.3	0	0	0	112.7
478	I	96.5	Very high	93.3	Very high	30 Å²	30	32.8 Å²	32.8	15%	0.154	19%	0.194	C	C	.	.	S	Bend	trans	-111.7	156.7	173.6	63.2	175.8	0	0	0	111.1	I440 T451 A453 V456 A476	I440-I478 HydrophobicContact CG2-CD1 4.37Å; T451-I478 HydrophobicContact CG2-CD1 3.78Å; A453-I478 HydrophobicContact CB-CD1 4.25Å; A453-I478 WeakPolarHBondContact O-CD1 3.04Å; V456-I478 HydrophobicContact CB-CD1 4.37Å; V456-I478 HydrophobicContact CG1-CG1 4.41Å; A476-I478 WeakPolarHBondContact CB-O 3.24Å
479	P	97.8	Very high	92.7	Very high	16 Å²	16	30 Å²	30	10%	0.104	18%	0.18	C	C	.	.			trans	-54	141	177.4	-23.3	30.7	0	0	0	114.3	K434 D454 A455 V456 I507	K434-P479 HydrophobicContact CD-CG 3.79Å; D454-P479 VanDerWaalsContact O-CD 3.28Å; D454-P479 WeakPolarHBondContact O-CD 3.45Å; A455-P479 CarbonylContact C-O 3.31Å; A455-P479 VanDerWaalsContact CA-O 3.25Å; A455-P479 WeakPolarHBondContact CA-O 3.32Å; A455-P479 HydrophobicContact CB-CB 4.18Å; A455-P479 WeakPolarHBondContact CB-O 3.39Å; V456-P479 PolarHBondContact N-O 3.37Å; P479-I507 HydrophobicContact CB-CB 4.4Å; P479-I507 HydrophobicContact CB-CD1 3.32Å; P479-I507 HydrophobicContact CB-CG1 3.62Å; P479-I507 HydrophobicContact CB-CG2 3.96Å; P479-I507 HydrophobicContact CG-CD1 4.33Å
480	V	98.2	Very high	92.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.4	-178.5	-176.1	0	0	0	0	111.6	V456 A458 I472 I473 A476 S506 I507	V456-V480 HydrophobicContact CG1-CB 4.02Å; V456-V480 HydrophobicContact CG1-CG1 4.06Å; V456-V480 HydrophobicContact CG1-CG2 3.59Å; A458-V480 HydrophobicContact CB-CG1 4.2Å; I472-V480 HydrophobicContact CG2-CG1 4.06Å; I473-V480 HydrophobicContact CG1-CB 4.04Å; I473-V480 HydrophobicContact CG1-CG1 3.92Å; I473-V480 HydrophobicContact CG1-CG2 4.21Å; A476-V480 HydrophobicContact CB-CG2 3.44Å; A476-V480 VanDerWaalsContact CB-CG2 3.44Å; V480-S506 WeakPolarHBondContact O-CA 3.12Å; V480-S506 PolarHBondContact O-OG 2.83Å; V480-I507 WeakPolarHBondContact O-CG1 3.05Å; V480-I507 PolarHBondContact O-N 3.25Å
481	F	98.3	Very high	91.8	Very high	1 Å²	1	34 Å²	34	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.7	163.1	-58	-66.9	0	0	0	109.9	I431 I436 I439 A455 V456 I457 A458 I507 G508 V510 I532	I431-F481 HydrophobicContact CD1-CE1 3.77Å; I431-F481 HydrophobicContact CD1-CZ 3.71Å; I436-F481 HydrophobicContact CD1-CE2 4.19Å; I436-F481 HydrophobicContact CD1-CZ 3.65Å; I436-F481 HydrophobicContact CG2-CE2 4.44Å; I439-F481 HydrophobicContact CD1-CD2 4.41Å; I439-F481 HydrophobicContact CD1-CE2 3.82Å; I439-F481 HydrophobicContact CG1-CE2 4.27Å; I439-F481 HydrophobicContact CG2-CD2 4.24Å; I439-F481 HydrophobicContact CG2-CE2 4.47Å; A455-F481 HydrophobicContact CB-CD2 4.24Å; A455-F481 HydrophobicContact CB-CE2 3.75Å; V456-F481 PolarHBondContact O-N 3.24Å; I457-F481 HydrophobicContact CB-CB 4.38Å; I457-F481 HydrophobicContact CG1-CB 4.21Å; A458-F481 PolarHBondContact N-O 3.17Å; F481-I507 HydrophobicContact CD1-CD1 4.18Å; F481-I507 HydrophobicContact CD1-CG1 3.97Å; F481-I507 HydrophobicContact CE1-CD1 3.45Å; F481-I507 VanDerWaalsContact CE1-CD1 3.45Å; F481-I507 HydrophobicContact CE1-CG1 3.73Å; F481-I507 HydrophobicContact CE2-CD1 4.31Å; F481-I507 HydrophobicContact CZ-CD1 3.55Å; F481-I507 HydrophobicContact CZ-CG1 4.25Å; F481-G508 WeakPolarHBondContact CA-O 3.44Å; F481-V510 HydrophobicContact CB-CG2 3.81Å; F481-I532 HydrophobicContact CB-CD1 4.14Å; F481-I532 HydrophobicContact CD1-CD1 3.29Å; F481-I532 HydrophobicContact CD2-CD1 4.42Å; F481-I532 HydrophobicContact CE1-CD1 3.65Å; F481-I532 HydrophobicContact CG-CD1 3.71Å; F481-I532 HydrophobicContact CZ-CD1 4.33Å
482	S	97.7	Very high	91.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.2	-172	-62.1	0	0	0	0	112.5	V484 S506 G508 V509 V510	S482-V484 PolarHBondContact O-N 3.33Å; S482-S506 WeakPolarHBondContact CB-OG 3.4Å; S482-S506 PolarHBondContact N-OG 3.34Å; S482-S506 WeakPolarHBondContact OG-CB 3.36Å; S482-S506 PolarHBondContact OG-OG 3.04Å; S482-G508 PolarHBondContact N-O 2.94Å; S482-G508 VanDerWaalsContact N-O 3.16Å; S482-V509 CarbonylContact O-C 3.59Å; S482-V509 WeakPolarHBondContact O-CA 3.45Å; S482-V510 PolarHBondContact O-N 2.95Å
483	G	96.6	Very high	90.9	Very high	5 Å²	5	41.5 Å²	41.5	5%	0.052	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.8	170.2	0	0	0	0	0	112.6	A458 P464	A458-G483 PolarHBondContact O-N 3.02Å; P464-G483 WeakPolarHBondContact CG-O 3.43Å
484	V	95.6	Very high	90.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-16.6	-174	-59.5	0	0	0	0	114	S482 S494 M497 A501 V509 V510 V511 I523	S482-V484 PolarHBondContact O-N 3.33Å; V484-S494 WeakPolarHBondContact O-CB 3.27Å; V484-S494 PolarHBondContact O-OG 3.18Å; V484-M497 HydrophobicContact CB-CB 4Å; V484-M497 HydrophobicContact CG1-CB 4.2Å; V484-A501 HydrophobicContact CG1-CB 4.18Å; V484-V509 HydrophobicContact CG1-CB 4.25Å; V484-V509 HydrophobicContact CG1-CG1 4.18Å; V484-V509 HydrophobicContact CG2-CB 3.9Å; V484-V509 HydrophobicContact CG2-CG2 4.49Å; V484-V510 PolarHBondContact N-O 3.11Å; V484-V511 HydrophobicContact CG2-CG1 4.22Å; V484-I523 HydrophobicContact CG2-CD1 4.14Å
485	A	90.1	Very high	90.7	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.2	178.1	0	0	0	0	0	112.1	T489 S494 V511 N512 T515 T519 I523	A485-T489 WeakPolarHBondContact CA-O 3.27Å; A485-S494 WeakPolarHBondContact CB-OG 3.42Å; A485-V511 HydrophobicContact CB-CB 3.93Å; A485-V511 HydrophobicContact CB-CG1 3.69Å; A485-N512 PolarHBondContact O-N 3Å; A485-N512 PolarHBondContact O-ND2 2.9Å; A485-T515 HydrophobicContact CB-CG2 3.95Å; A485-T519 HydrophobicContact CB-CG2 4.25Å; A485-I523 HydrophobicContact CB-CD1 4.24Å
486	G	84.6	Confident	90.6	Very high	13 Å²	13	41.2 Å²	41.2	13%	0.134	23%	0.228	C	C	.	.			trans	-167	-167.1	178	0	0	0	0	0	111.1	L488 T489 N512	G486-L488 PolarHBondContact O-N 3.11Å; G486-T489 PolarHBondContact N-O 2.93Å; G486-T489 VanDerWaalsContact O-O 3.06Å; G486-N512 WeakPolarHBondContact CA-O 3.34Å
487	G	77.9	Confident	90.6	Very high	40 Å²	40	40.9 Å²	40.9	41%	0.412	22%	0.224	S	C	.	.	S	Bend	trans	-61.8	-27.8	177.3	0	0	0	0	0	114.7
488	L	79.2	Confident	90.7	Very high	156 Å²	156	36.5 Å²	36.5	82%	0.817	20%	0.2	S	C	*	.	S	Bend	trans	-101	-26.2	-178.5	-63.6	175.4	0	0	0	113.9	G486	G486-L488 PolarHBondContact O-N 3.11Å
489	T	81.8	Confident	90.6	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	20%	0.2	C	C	.	.	S	Bend	trans	-114.5	108.7	-178.7	-49.4	0	0	0	0	108.4	T463 P464 A485 G486 R493 S494	T463-T489 HydrophobicContact CG2-CG2 4.33Å; P464-T489 WeakPolarHBondContact CD-OG1 3.5Å; A485-T489 WeakPolarHBondContact CA-O 3.27Å; G486-T489 PolarHBondContact N-O 2.93Å; G486-T489 VanDerWaalsContact O-O 3.06Å; T489-R493 HydrophobicContact CG2-CG 4.15Å; T489-S494 PolarHBondContact O-OG 3.27Å; T489-S494 VanDerWaalsContact O-OG 3.08Å
490	H	83.7	Confident	90.5	Very high	101 Å²	101	37.9 Å²	37.9	47%	0.468	21%	0.205	S	C	.	.			trans	-145.5	175.9	-179.2	59	65.2	0	0	0	111.2	S494 P516 T519	H490-S494 WeakPolarHBondContact CA-OG 3.26Å; H490-P516 HydrophobicContact CB-CG 4.3Å; H490-T519 HydrophobicContact CB-CG2 4.08Å; H490-T519 WeakPolarHBondContact CB-OG1 3.39Å
491	G	85.3	Confident	90.4	Very high	23 Å²	23	37.7 Å²	37.7	24%	0.237	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-150.1	-179.1	0	0	0	0	0	114.2	R493 S494 A495 T519	G491-R493 PolarHBondContact O-N 3.23Å; G491-S494 WeakPolarHBondContact O-CB 3.13Å; G491-S494 PolarHBondContact O-N 2.9Å; G491-A495 PolarHBondContact O-N 2.93Å; G491-T519 PolarHBondContact N-OG1 3.26Å
492	S	85.6	Confident	90.3	Very high	81 Å²	81	40.1 Å²	40.1	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-57.2	-35.2	-174.8	52.8	0	0	0	0	113.4	S494 A495 Y496	S492-S494 VanDerWaalsContact C-N 3.29Å; S492-S494 PolarHBondContact O-N 3.36Å; S492-A495 WeakPolarHBondContact O-CB 3.4Å; S492-A495 PolarHBondContact O-N 3Å; S492-A495 VanDerWaalsContact O-N 3.15Å; S492-Y496 WeakPolarHBondContact O-CD2 3.46Å; S492-Y496 PolarHBondContact O-N 2.97Å
493	R	88.3	Confident	90.1	Very high	137 Å²	137	43.5 Å²	43.5	52%	0.517	24%	0.239	S	C	.	.	H	α-helix	trans	-58.6	-40.7	176.2	-174.4	173	-177.7	155.8	5.9	112.2	T463 T489 G491 Y496 M497	T463-R493 VanDerWaalsContact CG2-CZ 3.41Å; T463-R493 VanDerWaalsContact CG2-NH2 3.29Å; T489-R493 HydrophobicContact CG2-CG 4.15Å; G491-R493 PolarHBondContact O-N 3.23Å; R493-Y496 PolarHBondContact O-N 2.97Å; R493-M497 WeakPolarHBondContact O-CB 3.03Å; R493-M497 WeakPolarHBondContact O-CG 3.4Å; R493-M497 PolarHBondContact O-N 3.34Å
494	S	92.8	Very high	90	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.7	-35.8	177.1	-67.9	0	0	0	0	112.4	V484 A485 T489 H490 G491 S492 M497 G498	V484-S494 WeakPolarHBondContact O-CB 3.27Å; V484-S494 PolarHBondContact O-OG 3.18Å; A485-S494 WeakPolarHBondContact CB-OG 3.42Å; T489-S494 PolarHBondContact O-OG 3.27Å; T489-S494 VanDerWaalsContact O-OG 3.08Å; H490-S494 WeakPolarHBondContact CA-OG 3.26Å; G491-S494 WeakPolarHBondContact O-CB 3.13Å; G491-S494 PolarHBondContact O-N 2.9Å; S492-S494 VanDerWaalsContact C-N 3.29Å; S492-S494 PolarHBondContact O-N 3.36Å; S494-M497 PolarHBondContact O-N 2.94Å; S494-G498 PolarHBondContact O-N 3.34Å
495	A	92.8	Very high	89.9	Confident	8 Å²	8	47.2 Å²	47.2	7%	0.066	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-45.3	172.6	0	0	0	0	0	111.5	G491 S492 G498 M499 A522 I523 V526	G491-A495 PolarHBondContact O-N 2.93Å; S492-A495 WeakPolarHBondContact O-CB 3.4Å; S492-A495 PolarHBondContact O-N 3Å; S492-A495 VanDerWaalsContact O-N 3.15Å; A495-G498 PolarHBondContact O-N 2.58Å; A495-M499 WeakPolarHBondContact O-CB 3.37Å; A495-M499 PolarHBondContact O-N 2.85Å; A495-A522 HydrophobicContact CB-CB 4.23Å; A495-A522 WeakPolarHBondContact CB-O 3.32Å; A495-I523 HydrophobicContact CB-CG1 4.42Å; A495-V526 HydrophobicContact CB-CG2 3.91Å
496	Y	92.7	Very high	90.2	Very high	123 Å²	123	47.1 Å²	47.1	48%	0.482	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-41.5	175	-64.8	-49.4	0	0	0	112.7	S492 R493 G498 M499 F500	S492-Y496 WeakPolarHBondContact O-CD2 3.46Å; S492-Y496 PolarHBondContact O-N 2.97Å; R493-Y496 PolarHBondContact O-N 2.97Å; Y496-G498 VanDerWaalsContact C-N 3.33Å; Y496-M499 PolarHBondContact O-N 3.36Å; Y496-F500 VanDerWaalsContact O-CB 3.27Å; Y496-F500 WeakPolarHBondContact O-CB 3.35Å; Y496-F500 PolarHBondContact O-N 2.79Å
497	M	94.5	Very high	90.8	Very high	11 Å²	11	48 Å²	48	5%	0.054	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-36.9	174.5	-76	-58.9	-47.5	0	0	112.3	P464 P466 V484 R493 S494 F500 A501	P464-M497 HydrophobicContact CB-CE 3.82Å; P464-M497 HydrophobicContact CB-CG 4.1Å; P464-M497 HydrophobicContact CB-SD 4.42Å; P466-M497 HydrophobicContact CG-CE 4.43Å; P466-M497 HydrophobicContact CG-SD 3.84Å; V484-M497 HydrophobicContact CB-CB 4Å; V484-M497 HydrophobicContact CG1-CB 4.2Å; R493-M497 WeakPolarHBondContact O-CB 3.03Å; R493-M497 WeakPolarHBondContact O-CG 3.4Å; R493-M497 PolarHBondContact O-N 3.34Å; S494-M497 PolarHBondContact O-N 2.94Å; M497-F500 HydrophobicContact CE-CD1 4.45Å; M497-A501 VanDerWaalsContact O-CB 3.29Å; M497-A501 WeakPolarHBondContact O-CB 3.38Å; M497-A501 PolarHBondContact O-N 3.06Å
498	G	95.1	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-53	172	0	0	0	0	0	112.3	S494 A495 Y496 F500 A501 E502 V527	S494-G498 PolarHBondContact O-N 3.34Å; A495-G498 PolarHBondContact O-N 2.58Å; Y496-G498 VanDerWaalsContact C-N 3.33Å; G498-F500 VanDerWaalsContact C-N 3.33Å; G498-F500 PolarHBondContact O-N 3.19Å; G498-A501 PolarHBondContact O-N 2.79Å; G498-E502 PolarHBondContact O-N 3.19Å; G498-V527 VanDerWaalsContact C-CG1 3.41Å
499	M	94	Very high	92.7	Very high	32 Å²	32	38.6 Å²	38.6	16%	0.158	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-40.4	178.6	-168.7	174.5	-164.3	0	0	112.1	A40 A44 A495 Y496 S503 V526	A40-M499 WeakPolarHBondContact O-CE 3.33Å; A44-M499 HydrophobicContact CB-CE 3.16Å; A44-M499 HydrophobicContact CB-CG 4.45Å; A44-M499 HydrophobicContact CB-SD 3.45Å; A44-M499 WeakPolarHBondContact CB-SD 3.32Å; A495-M499 WeakPolarHBondContact O-CB 3.37Å; A495-M499 PolarHBondContact O-N 2.85Å; Y496-M499 PolarHBondContact O-N 3.36Å; M499-S503 WeakPolarHBondContact O-CB 3.33Å; M499-S503 PolarHBondContact O-N 2.84Å; M499-S503 PolarHBondContact O-OG 2.93Å; M499-V526 HydrophobicContact CB-CG2 4.3Å
500	F	95	Very high	93.4	Very high	44 Å²	44	38.1 Å²	38.1	19%	0.193	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-50.7	174.1	179	-94.6	0	0	0	110.8	P466 T469 K470 Y496 M497 G498 E502 S503 Q504	P466-F500 VanDerWaalsContact CA-CE1 3.49Å; P466-F500 HydrophobicContact CB-CD1 4.03Å; P466-F500 HydrophobicContact CB-CD2 4.43Å; P466-F500 HydrophobicContact CB-CE1 3.62Å; P466-F500 HydrophobicContact CB-CE2 4.06Å; P466-F500 HydrophobicContact CB-CG 4.42Å; P466-F500 HydrophobicContact CB-CZ 3.63Å; P466-F500 VanDerWaalsContact O-CE1 3.27Å; P466-F500 WeakPolarHBondContact O-CE1 3.41Å; T469-F500 HydrophobicContact CG2-CD1 4.22Å; T469-F500 HydrophobicContact CG2-CE1 4.24Å; K470-F500 HydrophobicContact CB-CE1 4.36Å; K470-F500 HydrophobicContact CB-CZ 4.19Å; Y496-F500 VanDerWaalsContact O-CB 3.27Å; Y496-F500 WeakPolarHBondContact O-CB 3.35Å; Y496-F500 PolarHBondContact O-N 2.79Å; M497-F500 HydrophobicContact CE-CD1 4.45Å; G498-F500 VanDerWaalsContact C-N 3.33Å; G498-F500 PolarHBondContact O-N 3.19Å; F500-E502 PolarHBondContact O-N 2.9Å; F500-S503 PolarHBondContact O-N 3.19Å; F500-S503 VanDerWaalsContact O-N 3.13Å; F500-S503 PolarHBondContact O-OG 2.92Å; F500-Q504 HydrophobicContact CD1-CG 4.1Å; F500-Q504 HydrophobicContact CD2-CG 4.45Å; F500-Q504 HydrophobicContact CE1-CG 3.59Å; F500-Q504 HydrophobicContact CE2-CG 4Å; F500-Q504 HydrophobicContact CG-CG 4.5Å; F500-Q504 HydrophobicContact CZ-CG 3.53Å; F500-Q504 WeakPolarHBondContact O-CG 3.36Å; F500-Q504 PolarHBondContact O-N 3.39Å
501	A	96	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-46.6	179.6	0	0	0	0	0	112.1	T469 V484 M497 G498 Q504 G505 S506 V509	T469-A501 HydrophobicContact CG2-CB 3.88Å; V484-A501 HydrophobicContact CG1-CB 4.18Å; M497-A501 VanDerWaalsContact O-CB 3.29Å; M497-A501 WeakPolarHBondContact O-CB 3.38Å; M497-A501 PolarHBondContact O-N 3.06Å; G498-A501 PolarHBondContact O-N 2.79Å; A501-Q504 PolarHBondContact O-N 2.87Å; A501-G505 PolarHBondContact O-N 2.95Å; A501-S506 VanDerWaalsContact C-CB 3.46Å; A501-S506 WeakPolarHBondContact O-CB 3.22Å; A501-S506 PolarHBondContact O-N 3.27Å; A501-V509 HydrophobicContact CB-CG1 4.26Å
502	E	96.5	Very high	94.3	Very high	52 Å²	52	34 Å²	34	24%	0.243	18%	0.182	C	C	.	.	H	α-helix	trans	-58	-48.2	173.6	175.6	177.6	-160.5	0	0	111.4	G498 F500 Q504 G505 V527 D528 V529	G498-E502 PolarHBondContact O-N 3.19Å; F500-E502 PolarHBondContact O-N 2.9Å; E502-Q504 PolarHBondContact O-N 2.93Å; E502-Q504 VanDerWaalsContact O-N 3.17Å; E502-G505 PolarHBondContact O-N 2.95Å; E502-V527 WeakPolarHBondContact OE2-CA 3.28Å; E502-V527 WeakPolarHBondContact OE2-CB 3.24Å; E502-D528 VanDerWaalsContact CD-N 3.31Å; E502-D528 WeakPolarHBondContact OE1-CA 3.13Å; E502-D528 WeakPolarHBondContact OE1-CB 2.95Å; E502-D528 PolarHBondContact OE1-N 3.28Å; E502-D528 PolarHBondContact OE2-N 3.1Å; E502-V529 HydrophobicContact CB-CG1 4.49Å; E502-V529 HydrophobicContact CB-CG2 4.16Å; E502-V529 HydrophobicContact CG-CG1 3.86Å; E502-V529 HydrophobicContact CG-CG2 4.32Å
503	S	94	Very high	94.3	Very high	73 Å²	73	31.6 Å²	31.6	51%	0.51	17%	0.17	S	C	.	.	H	α-helix	trans	-61.3	-25.9	-180	77.8	0	0	0	0	113.9	M499 F500	M499-S503 WeakPolarHBondContact O-CB 3.33Å; M499-S503 PolarHBondContact O-N 2.84Å; M499-S503 PolarHBondContact O-OG 2.93Å; F500-S503 PolarHBondContact O-N 3.19Å; F500-S503 VanDerWaalsContact O-N 3.13Å; F500-S503 PolarHBondContact O-OG 2.92Å
504	Q	95	Very high	94.1	Very high	35 Å²	35	30 Å²	30	16%	0.164	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.1	176.3	-64.6	-54.9	-77.3	0	0	112.9	I473 F500 A501 E502	I473-Q504 HydrophobicContact CD1-CB 3.73Å; I473-Q504 WeakPolarHBondContact CG2-O 3.4Å; F500-Q504 HydrophobicContact CD1-CG 4.1Å; F500-Q504 HydrophobicContact CD2-CG 4.45Å; F500-Q504 HydrophobicContact CE1-CG 3.59Å; F500-Q504 HydrophobicContact CE2-CG 4Å; F500-Q504 HydrophobicContact CG-CG 4.5Å; F500-Q504 HydrophobicContact CZ-CG 3.53Å; F500-Q504 WeakPolarHBondContact O-CG 3.36Å; F500-Q504 PolarHBondContact O-N 3.39Å; A501-Q504 PolarHBondContact O-N 2.87Å; E502-Q504 PolarHBondContact O-N 2.93Å; E502-Q504 VanDerWaalsContact O-N 3.17Å
505	G	94	Very high	94	Very high	47 Å²	47	30.2 Å²	30.2	49%	0.485	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.2	10.3	177.8	0	0	0	0	0	115.5	A501 E502 I507	A501-G505 PolarHBondContact O-N 2.95Å; E502-G505 PolarHBondContact O-N 2.95Å; G505-I507 PolarHBondContact O-N 3.15Å
506	S	96.5	Very high	94	Very high	3 Å²	3	32 Å²	32	2%	0.021	19%	0.189	C	C	.	.			trans	-60.7	129.5	172.8	-162.8	0	0	0	0	109.9	V480 S482 A501 G508	V480-S506 WeakPolarHBondContact O-CA 3.12Å; V480-S506 PolarHBondContact O-OG 2.83Å; S482-S506 WeakPolarHBondContact CB-OG 3.4Å; S482-S506 PolarHBondContact N-OG 3.34Å; S482-S506 WeakPolarHBondContact OG-CB 3.36Å; S482-S506 PolarHBondContact OG-OG 3.04Å; A501-S506 VanDerWaalsContact C-CB 3.46Å; A501-S506 WeakPolarHBondContact O-CB 3.22Å; A501-S506 PolarHBondContact O-N 3.27Å; S506-G508 VanDerWaalsContact C-N 3.27Å; S506-G508 PolarHBondContact O-N 2.85Å; S506-G508 PolarHBondContact OG-O 3Å
507	I	96.9	Very high	94	Very high	30 Å²	30	27.3 Å²	27.3	15%	0.154	17%	0.173	C	C	.	.	S	Bend	trans	-84	-3	-178.5	63.2	146	0	0	0	113.5	I431 F432 I436 P479 V480 F481 G505 P530	I431-I507 HydrophobicContact CG2-CD1 4.35Å; F432-I507 HydrophobicContact CD2-CB 4.47Å; I436-I507 HydrophobicContact CD1-CD1 3.5Å; P479-I507 HydrophobicContact CB-CB 4.4Å; P479-I507 HydrophobicContact CB-CD1 3.32Å; P479-I507 HydrophobicContact CB-CG1 3.62Å; P479-I507 HydrophobicContact CB-CG2 3.96Å; P479-I507 HydrophobicContact CG-CD1 4.33Å; V480-I507 WeakPolarHBondContact O-CG1 3.05Å; V480-I507 PolarHBondContact O-N 3.25Å; F481-I507 HydrophobicContact CD1-CD1 4.18Å; F481-I507 HydrophobicContact CD1-CG1 3.97Å; F481-I507 HydrophobicContact CE1-CD1 3.45Å; F481-I507 VanDerWaalsContact CE1-CD1 3.45Å; F481-I507 HydrophobicContact CE1-CG1 3.73Å; F481-I507 HydrophobicContact CE2-CD1 4.31Å; F481-I507 HydrophobicContact CZ-CD1 3.55Å; F481-I507 HydrophobicContact CZ-CG1 4.25Å; G505-I507 PolarHBondContact O-N 3.15Å; I507-P530 WeakPolarHBondContact O-CD 3.24Å
508	G	97.6	Very high	93.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	162.6	175.8	0	0	0	0	0	110.4	F481 S482 S506 P530	F481-G508 WeakPolarHBondContact CA-O 3.44Å; S482-G508 PolarHBondContact N-O 2.94Å; S482-G508 VanDerWaalsContact N-O 3.16Å; S506-G508 VanDerWaalsContact C-N 3.27Å; S506-G508 PolarHBondContact O-N 2.85Å; S506-G508 PolarHBondContact OG-O 3Å; G508-P530 CarbonylContact C-O 3.55Å; G508-P530 VanDerWaalsContact CA-O 3.23Å; G508-P530 WeakPolarHBondContact CA-O 3.35Å
509	V	97.8	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.7	-178.8	-65.2	0	0	0	0	110.4	S482 V484 A501 I523 V527 V529 P530 L531 I532	S482-V509 CarbonylContact O-C 3.59Å; S482-V509 WeakPolarHBondContact O-CA 3.45Å; V484-V509 HydrophobicContact CG1-CB 4.25Å; V484-V509 HydrophobicContact CG1-CG1 4.18Å; V484-V509 HydrophobicContact CG2-CB 3.9Å; V484-V509 HydrophobicContact CG2-CG2 4.49Å; A501-V509 HydrophobicContact CB-CG1 4.26Å; V509-I523 HydrophobicContact CG2-CG2 3.89Å; V509-V527 HydrophobicContact CG2-CG2 4.14Å; V509-V529 HydrophobicContact CG1-CG2 4.04Å; V509-P530 PolarHBondContact N-O 3.11Å; V509-L531 HydrophobicContact CG2-CB 4.41Å; V509-L531 HydrophobicContact CG2-CG 4.19Å; V509-I532 PolarHBondContact O-N 3.07Å
510	V	97.8	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.4	-174.7	-171.6	0	0	0	0	110.4	I457 V459 F481 S482 V484 I532 T534	I457-V510 HydrophobicContact CD1-CG1 4.26Å; I457-V510 HydrophobicContact CD1-CG2 3.88Å; I457-V510 HydrophobicContact CG1-CG2 3.96Å; V459-V510 HydrophobicContact CG2-CB 3.93Å; V459-V510 HydrophobicContact CG2-CG1 3.85Å; V459-V510 HydrophobicContact CG2-CG2 4.35Å; F481-V510 HydrophobicContact CB-CG2 3.81Å; S482-V510 PolarHBondContact O-N 2.95Å; V484-V510 PolarHBondContact N-O 3.11Å; V510-I532 CarbonylContact C-O 3.52Å; V510-I532 WeakPolarHBondContact CA-O 3.49Å; V510-I532 HydrophobicContact CG2-CB 4.16Å; V510-I532 HydrophobicContact CG2-CD1 4.09Å; V510-T534 WeakPolarHBondContact CG1-OG1 3.48Å
511	V	96.1	Very high	93.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123	172	-57.4	0	0	0	0	109.5	V484 A485 T515 I520 I523 L531 I532 A533 T534	V484-V511 HydrophobicContact CG2-CG1 4.22Å; A485-V511 HydrophobicContact CB-CB 3.93Å; A485-V511 HydrophobicContact CB-CG1 3.69Å; V511-T515 HydrophobicContact CB-CG2 4.09Å; V511-I520 HydrophobicContact CG2-CD1 4.38Å; V511-I520 HydrophobicContact CG2-CG1 4.17Å; V511-I523 HydrophobicContact CG1-CD1 3.46Å; V511-I523 VanDerWaalsContact CG1-CD1 3.46Å; V511-L531 HydrophobicContact CG1-CD2 4.29Å; V511-L531 HydrophobicContact CG2-CD2 3.87Å; V511-I532 PolarHBondContact N-O 3.17Å; V511-A533 HydrophobicContact CG2-CB 3.76Å; V511-T534 PolarHBondContact O-N 2.64Å
512	N	91.9	Very high	93.7	Very high	36 Å²	36	35.3 Å²	35.3	19%	0.193	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.3	-177.4	-63.8	-70.6	0	0	0	111.6	V459 A485 G486 T515 T534	V459-N512 WeakPolarHBondContact CG1-ND2 3.46Å; A485-N512 PolarHBondContact O-N 3Å; A485-N512 PolarHBondContact O-ND2 2.9Å; G486-N512 WeakPolarHBondContact CA-O 3.34Å; N512-T515 PolarHBondContact O-N 2.77Å; N512-T515 PolarHBondContact O-OG1 3.12Å; N512-T534 WeakPolarHBondContact OD1-CB 3.27Å; N512-T534 PolarHBondContact OD1-OG1 2.87Å
513	G	84.6	Confident	93.7	Very high	31 Å²	31	32.8 Å²	32.8	32%	0.32	21%	0.205	S	C	.	.	S	Bend	trans	-57.1	139.5	171.3	0	0	0	0	0	111.6	T534	G513-T534 PolarHBondContact N-O 2.94Å; G513-T534 VanDerWaalsContact N-O 3.1Å
514	P	85.6	Confident	93.7	Very high	104 Å²	104	31.2 Å²	31.2	68%	0.675	19%	0.189	S	C	*	.	S	Bend	cis	-95	82.6	-0.1	36.3	-33.7	0	0	0	113.3
515	T	90.4	Very high	93.6	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.031	21%	0.208	C	C	.	.			trans	-75.8	129	171	-62	0	0	0	0	111.2	A485 V511 N512 T519 I520 K545	A485-T515 HydrophobicContact CB-CG2 3.95Å; V511-T515 HydrophobicContact CB-CG2 4.09Å; N512-T515 PolarHBondContact O-N 2.77Å; N512-T515 PolarHBondContact O-OG1 3.12Å; T515-T519 HydrophobicContact CG2-CG2 3.66Å; T515-I520 HydrophobicContact CG2-CG1 4.17Å; T515-K545 PolarHBondContact O-NZ 2.86Å
516	P	91.9	Very high	93.5	Very high	44 Å²	44	33.4 Å²	33.4	29%	0.286	19%	0.192	S	C	.	.			trans	-62.7	151.2	175.6	-21.9	33	0	0	0	113.7	H490 E518 T519 I520	H490-P516 HydrophobicContact CB-CG 4.3Å; P516-E518 VanDerWaalsContact C-N 3.28Å; P516-E518 VanDerWaalsContact CB-OE2 3.31Å; P516-E518 WeakPolarHBondContact CB-OE2 3.38Å; P516-E518 PolarHBondContact O-N 3.01Å; P516-T519 WeakPolarHBondContact O-CB 3.27Å; P516-T519 PolarHBondContact O-N 2.9Å; P516-T519 VanDerWaalsContact O-N 3.1Å; P516-I520 PolarHBondContact O-N 3.28Å
517	V	92.3	Very high	93.3	Very high	25 Å²	25	33.6 Å²	33.6	15%	0.152	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-37.5	-179.1	179.1	0	0	0	0	111.3	T519 I520 Q521 E544 A548	V517-T519 PolarHBondContact O-N 2.69Å; V517-I520 WeakPolarHBondContact O-CB 3.44Å; V517-I520 PolarHBondContact O-N 3.32Å; V517-I520 VanDerWaalsContact O-N 3.1Å; V517-Q521 WeakPolarHBondContact O-CG 3.48Å; V517-Q521 PolarHBondContact O-N 3.17Å; V517-E544 HydrophobicContact CG2-CB 4.01Å; V517-E544 HydrophobicContact CG2-CG 3.7Å; V517-A548 HydrophobicContact CG1-CB 3.61Å
518	E	93.1	Very high	93.2	Very high	128 Å²	128	36.3 Å²	36.3	60%	0.598	21%	0.208	S	C	*	.	H	α-helix	trans	-63.1	-30.7	178.1	-56.7	73.5	-160.8	0	0	111.5	P516 A522	P516-E518 VanDerWaalsContact C-N 3.28Å; P516-E518 VanDerWaalsContact CB-OE2 3.31Å; P516-E518 WeakPolarHBondContact CB-OE2 3.38Å; P516-E518 PolarHBondContact O-N 3.01Å; E518-A522 WeakPolarHBondContact O-CB 3.33Å; E518-A522 PolarHBondContact O-N 2.94Å
519	T	94.1	Very high	93.1	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-39.3	175.6	-60.3	0	0	0	0	111.4	A485 H490 G491 T515 P516 V517 Q521 A522 I523	A485-T519 HydrophobicContact CB-CG2 4.25Å; H490-T519 HydrophobicContact CB-CG2 4.08Å; H490-T519 WeakPolarHBondContact CB-OG1 3.39Å; G491-T519 PolarHBondContact N-OG1 3.26Å; T515-T519 HydrophobicContact CG2-CG2 3.66Å; P516-T519 WeakPolarHBondContact O-CB 3.27Å; P516-T519 PolarHBondContact O-N 2.9Å; P516-T519 VanDerWaalsContact O-N 3.1Å; V517-T519 PolarHBondContact O-N 2.69Å; T519-Q521 VanDerWaalsContact C-N 3.33Å; T519-A522 PolarHBondContact O-N 3.04Å; T519-I523 HydrophobicContact CG2-CD1 4.04Å; T519-I523 WeakPolarHBondContact O-CD1 3.27Å; T519-I523 VanDerWaalsContact O-CG1 3.26Å; T519-I523 WeakPolarHBondContact O-CG1 3.47Å; T519-I523 PolarHBondContact O-N 3.29Å
520	I	95.3	Very high	93.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-47.6	173.9	-64.3	174	0	0	0	109.6	V511 T515 P516 V517 A522 I523 E524 L531 K545 A548 V550	V511-I520 HydrophobicContact CG2-CD1 4.38Å; V511-I520 HydrophobicContact CG2-CG1 4.17Å; T515-I520 HydrophobicContact CG2-CG1 4.17Å; P516-I520 PolarHBondContact O-N 3.28Å; V517-I520 WeakPolarHBondContact O-CB 3.44Å; V517-I520 PolarHBondContact O-N 3.32Å; V517-I520 VanDerWaalsContact O-N 3.1Å; I520-A522 PolarHBondContact O-N 3.47Å; I520-I523 PolarHBondContact O-N 3.47Å; I520-E524 WeakPolarHBondContact O-CB 3.48Å; I520-E524 PolarHBondContact O-N 3.18Å; I520-L531 HydrophobicContact CG2-CD1 3.94Å; I520-L531 HydrophobicContact CG2-CD2 3.95Å; I520-K545 HydrophobicContact CD1-CB 4Å; I520-K545 HydrophobicContact CD1-CD 4.25Å; I520-K545 HydrophobicContact CD1-CG 3.77Å; I520-A548 HydrophobicContact CB-CB 4.09Å; I520-A548 HydrophobicContact CG2-CB 3.69Å; I520-V550 HydrophobicContact CD1-CG2 4.11Å; I520-V550 HydrophobicContact CG2-CG2 3.92Å
521	Q	94.1	Very high	93.1	Very high	93 Å²	93	37.8 Å²	37.8	44%	0.435	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-43.7	176.4	-69.1	173.5	-18.1	0	0	112	V517 T519 I523 E524 D525 A548	V517-Q521 WeakPolarHBondContact O-CG 3.48Å; V517-Q521 PolarHBondContact O-N 3.17Å; T519-Q521 VanDerWaalsContact C-N 3.33Å; Q521-I523 VanDerWaalsContact C-N 3.27Å; Q521-I523 PolarHBondContact O-N 3.48Å; Q521-E524 PolarHBondContact O-N 3.21Å; Q521-D525 WeakPolarHBondContact O-CB 3.28Å; Q521-D525 PolarHBondContact O-N 3.33Å; Q521-A548 HydrophobicContact CG-CB 3.68Å
522	A	93.5	Very high	93.2	Very high	30 Å²	30	37.8 Å²	37.8	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-33.3	177.9	0	0	0	0	0	113	A495 E518 T519 I520	A495-A522 HydrophobicContact CB-CB 4.23Å; A495-A522 WeakPolarHBondContact CB-O 3.32Å; E518-A522 WeakPolarHBondContact O-CB 3.33Å; E518-A522 PolarHBondContact O-N 2.94Å; T519-A522 PolarHBondContact O-N 3.04Å; I520-A522 PolarHBondContact O-N 3.47Å
523	I	95	Very high	93.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-73.2	-51.4	174	-64.3	160.9	0	0	0	109.9	V484 A485 A495 V509 V511 T519 I520 Q521 D525 V526 V527 L531	V484-I523 HydrophobicContact CG2-CD1 4.14Å; A485-I523 HydrophobicContact CB-CD1 4.24Å; A495-I523 HydrophobicContact CB-CG1 4.42Å; V509-I523 HydrophobicContact CG2-CG2 3.89Å; V511-I523 HydrophobicContact CG1-CD1 3.46Å; V511-I523 VanDerWaalsContact CG1-CD1 3.46Å; T519-I523 HydrophobicContact CG2-CD1 4.04Å; T519-I523 WeakPolarHBondContact O-CD1 3.27Å; T519-I523 VanDerWaalsContact O-CG1 3.26Å; T519-I523 WeakPolarHBondContact O-CG1 3.47Å; T519-I523 PolarHBondContact O-N 3.29Å; I520-I523 PolarHBondContact O-N 3.47Å; Q521-I523 VanDerWaalsContact C-N 3.27Å; Q521-I523 PolarHBondContact O-N 3.48Å; I523-D525 PolarHBondContact O-N 3.44Å; I523-V526 WeakPolarHBondContact O-CG2 3.3Å; I523-V526 PolarHBondContact O-N 2.81Å; I523-V527 HydrophobicContact CG2-CB 4.49Å; I523-V527 HydrophobicContact CG2-CG1 3.9Å; I523-V527 HydrophobicContact CG2-CG2 3.72Å; I523-V527 WeakPolarHBondContact O-CG2 3.44Å; I523-V527 PolarHBondContact O-N 3.14Å; I523-L531 HydrophobicContact CB-CD1 3.86Å; I523-L531 HydrophobicContact CG2-CD1 3.64Å; I523-L531 HydrophobicContact CG2-CG 4.43Å
524	E	94.9	Very high	94.1	Very high	40 Å²	40	35.1 Å²	35.1	19%	0.187	20%	0.196	C	C	.	.	H	α-helix	trans	-55.1	-33.2	178	173.4	69.9	170.6	0	0	112.5	K31 I520 Q521 V526 L531	K31-E524 IonicContact NZ-OE1 2.74Å; K31-E524 PolarHBondContact NZ-OE1 2.93Å; I520-E524 WeakPolarHBondContact O-CB 3.48Å; I520-E524 PolarHBondContact O-N 3.18Å; Q521-E524 PolarHBondContact O-N 3.21Å; E524-V526 PolarHBondContact O-N 2.99Å; E524-L531 HydrophobicContact CB-CD1 4.4Å
525	D	93.2	Very high	94.5	Very high	103 Å²	103	30.2 Å²	30.2	55%	0.551	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.3	177.4	-86.5	-27.5	0	0	0	113.8	K36 Q521 I523	K36-D525 IonicContact NZ-OD1 2.93Å; K36-D525 PolarHBondContact NZ-OD1 3.03Å; Q521-D525 WeakPolarHBondContact O-CB 3.28Å; Q521-D525 PolarHBondContact O-N 3.33Å; I523-D525 PolarHBondContact O-N 3.44Å
526	V	91.5	Very high	94.6	Very high	25 Å²	25	34 Å²	34	15%	0.152	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-21.3	-174.6	-55.9	0	0	0	0	115	A495 M499 I523 E524	A495-V526 HydrophobicContact CB-CG2 3.91Å; M499-V526 HydrophobicContact CB-CG2 4.3Å; I523-V526 WeakPolarHBondContact O-CG2 3.3Å; I523-V526 PolarHBondContact O-N 2.81Å; E524-V526 PolarHBondContact O-N 2.99Å
527	V	92.8	Very high	94.7	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.042	19%	0.186	C	C	.	.			trans	-102.4	144.3	-179.7	-51.4	0	0	0	0	112.9	G498 E502 V509 I523 V529	G498-V527 VanDerWaalsContact C-CG1 3.41Å; E502-V527 WeakPolarHBondContact OE2-CA 3.28Å; E502-V527 WeakPolarHBondContact OE2-CB 3.24Å; V509-V527 HydrophobicContact CG2-CG2 4.14Å; I523-V527 HydrophobicContact CG2-CB 4.49Å; I523-V527 HydrophobicContact CG2-CG1 3.9Å; I523-V527 HydrophobicContact CG2-CG2 3.72Å; I523-V527 WeakPolarHBondContact O-CG2 3.44Å; I523-V527 PolarHBondContact O-N 3.14Å; V527-V529 HydrophobicContact CB-CG2 4.41Å
528	D	94	Very high	94.8	Very high	87 Å²	87	36.3 Å²	36.3	47%	0.465	20%	0.195	S	C	.	.			trans	-109.1	13	175.5	-155.8	17.4	0	0	0	114.1	K33 E502	K33-D528 VanDerWaalsContact CD-OD1 3.22Å; K33-D528 WeakPolarHBondContact CD-OD1 3.09Å; K33-D528 VanDerWaalsContact NZ-C 3.3Å; K33-D528 PolarHBondContact NZ-O 3.44Å; K33-D528 IonicContact NZ-OD1 3.76Å; K33-D528 PolarHBondContact NZ-OD1 2.87Å; E502-D528 VanDerWaalsContact CD-N 3.31Å; E502-D528 WeakPolarHBondContact OE1-CA 3.13Å; E502-D528 WeakPolarHBondContact OE1-CB 2.95Å; E502-D528 PolarHBondContact OE1-N 3.28Å; E502-D528 PolarHBondContact OE2-N 3.1Å
529	V	96.1	Very high	94.8	Very high	10 Å²	10	38.9 Å²	38.9	6%	0.061	20%	0.201	C	C	.	.	S	Bend	trans	-104	157.1	173.8	-64.7	0	0	0	0	112.2	F432 E502 V509 V527 L531	F432-V529 HydrophobicContact CE2-CG1 4.11Å; F432-V529 HydrophobicContact CZ-CG1 4.16Å; E502-V529 HydrophobicContact CB-CG1 4.49Å; E502-V529 HydrophobicContact CB-CG2 4.16Å; E502-V529 HydrophobicContact CG-CG1 3.86Å; E502-V529 HydrophobicContact CG-CG2 4.32Å; V509-V529 HydrophobicContact CG1-CG2 4.04Å; V527-V529 HydrophobicContact CB-CG2 4.41Å; V529-L531 PolarHBondContact O-N 3.19Å
530	P	97.5	Very high	94.6	Very high	21 Å²	21	40 Å²	40	14%	0.136	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-50.6	131.1	177.7	-30.1	33	0	0	0	114.2	I431 I507 G508 V509 D551 I552	I431-P530 HydrophobicContact CG2-CG 3.93Å; I507-P530 WeakPolarHBondContact O-CD 3.24Å; G508-P530 CarbonylContact C-O 3.55Å; G508-P530 VanDerWaalsContact CA-O 3.23Å; G508-P530 WeakPolarHBondContact CA-O 3.35Å; V509-P530 PolarHBondContact N-O 3.11Å; P530-D551 VanDerWaalsContact CA-OD2 3.27Å; P530-D551 WeakPolarHBondContact CA-OD2 3.48Å; P530-D551 HydrophobicContact CB-CB 4.31Å; P530-I552 HydrophobicContact CB-CD1 4.21Å
531	L	97.8	Very high	94.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.4	174.9	-163.6	159.7	0	0	0	109.7	V509 V511 I520 I523 E524 V529 V550 D551 I552	V509-L531 HydrophobicContact CG2-CB 4.41Å; V509-L531 HydrophobicContact CG2-CG 4.19Å; V511-L531 HydrophobicContact CG1-CD2 4.29Å; V511-L531 HydrophobicContact CG2-CD2 3.87Å; I520-L531 HydrophobicContact CG2-CD1 3.94Å; I520-L531 HydrophobicContact CG2-CD2 3.95Å; I523-L531 HydrophobicContact CB-CD1 3.86Å; I523-L531 HydrophobicContact CG2-CD1 3.64Å; I523-L531 HydrophobicContact CG2-CG 4.43Å; E524-L531 HydrophobicContact CB-CD1 4.4Å; V529-L531 PolarHBondContact O-N 3.19Å; L531-V550 HydrophobicContact CD2-CB 4.34Å; L531-V550 HydrophobicContact CD2-CG2 3.52Å; L531-D551 PolarHBondContact N-OD2 3.49Å; L531-D551 PolarHBondContact O-N 2.92Å; L531-I552 PolarHBondContact O-N 2.82Å
532	I	98.1	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.5	-177	-53.9	167.5	0	0	0	108.9	F481 V509 V510 V511 I552 N554 I578	F481-I532 HydrophobicContact CB-CD1 4.14Å; F481-I532 HydrophobicContact CD1-CD1 3.29Å; F481-I532 HydrophobicContact CD2-CD1 4.42Å; F481-I532 HydrophobicContact CE1-CD1 3.65Å; F481-I532 HydrophobicContact CG-CD1 3.71Å; F481-I532 HydrophobicContact CZ-CD1 4.33Å; V509-I532 PolarHBondContact O-N 3.07Å; V510-I532 CarbonylContact C-O 3.52Å; V510-I532 WeakPolarHBondContact CA-O 3.49Å; V510-I532 HydrophobicContact CG2-CB 4.16Å; V510-I532 HydrophobicContact CG2-CD1 4.09Å; V511-I532 PolarHBondContact N-O 3.17Å; I532-I552 WeakPolarHBondContact CA-O 3.4Å; I532-I552 HydrophobicContact CG1-CB 4.04Å; I532-I552 HydrophobicContact CG1-CD1 4.19Å; I532-I552 HydrophobicContact CG1-CG1 4.49Å; I532-I552 HydrophobicContact CG2-CB 4.39Å; I532-I552 HydrophobicContact CG2-CG2 4.37Å; I532-N554 HydrophobicContact CG2-CB 3.66Å; I532-I578 HydrophobicContact CD1-CD1 4.25Å; I532-I578 HydrophobicContact CG2-CD1 4.35Å
533	A	97.3	Very high	94.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.7	174	0	0	0	0	0	111.9	V511 K545 V550 I552 I553 N554	V511-A533 HydrophobicContact CG2-CB 3.76Å; A533-K545 HydrophobicContact CB-CD 4.3Å; A533-V550 HydrophobicContact CB-CB 4.4Å; A533-V550 HydrophobicContact CB-CG1 3.86Å; A533-V550 HydrophobicContact CB-CG2 3.55Å; A533-I552 PolarHBondContact N-O 3.12Å; A533-I553 HydrophobicContact CB-CD1 4.16Å; A533-N554 PolarHBondContact O-N 2.77Å
534	T	96.9	Very high	94.3	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.9	172.5	-51.7	0	0	0	0	110.5	V510 V511 N512 G513 N554	V510-T534 WeakPolarHBondContact CG1-OG1 3.48Å; V511-T534 PolarHBondContact O-N 2.64Å; N512-T534 WeakPolarHBondContact OD1-CB 3.27Å; N512-T534 PolarHBondContact OD1-OG1 2.87Å; G513-T534 PolarHBondContact N-O 2.94Å; G513-T534 VanDerWaalsContact N-O 3.1Å; T534-N554 CarbonylContact C-O 3.59Å; T534-N554 WeakPolarHBondContact CA-O 3.32Å; T534-N554 PolarHBondContact OG1-ND2 3Å
535	V	95.2	Very high	94.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.7	175.6	-60.1	0	0	0	0	110.4	I542 I553 N554 I555 S556 F568	V535-I542 HydrophobicContact CG1-CG2 3.75Å; V535-I553 HydrophobicContact CB-CG2 4.43Å; V535-I553 HydrophobicContact CG1-CD1 4.4Å; V535-I553 HydrophobicContact CG1-CG2 4.11Å; V535-I553 HydrophobicContact CG2-CG2 3.46Å; V535-I553 VanDerWaalsContact CG2-CG2 3.46Å; V535-N554 PolarHBondContact N-O 3.13Å; V535-I555 HydrophobicContact CG2-CB 4.36Å; V535-I555 HydrophobicContact CG2-CG1 3.81Å; V535-S556 PolarHBondContact O-N 3.31Å; V535-F568 HydrophobicContact CG2-CE2 4.01Å
536	T	92.5	Very high	94.3	Very high	85 Å²	85	47.5 Å²	47.5	52%	0.521	23%	0.234	S	C	.	.			trans	-110.4	-1.9	-171	55.3	0	0	0	0	113.7	S556 A557	T536-S556 WeakPolarHBondContact CA-O 3.42Å; T536-A557 WeakPolarHBondContact O-CA 3.36Å; T536-A557 WeakPolarHBondContact O-CB 3.46Å
537	S	93.8	Very high	94.5	Very high	36 Å²	36	50 Å²	50	25%	0.252	26%	0.257	S	S	.	.	S	Bend	trans	-160.2	163.5	175.7	73.2	0	0	0	0	111.7	Y539 S540	S537-Y539 PolarHBondContact O-N 3.21Å; S537-Y539 PolarHBondContact OG-N 2.95Å; S537-S540 WeakPolarHBondContact O-CB 3.31Å; S537-S540 PolarHBondContact O-N 3.18Å; S537-S540 VanDerWaalsContact O-N 3.16Å; S537-S540 PolarHBondContact O-OG 3.35Å
538	K	93.6	Very high	94.5	Very high	80 Å²	80	50 Å²	50	35%	0.348	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18	169.7	66.4	-177.7	177.4	-171.4	0	114.2	S540 A564 H567	K538-S540 VanDerWaalsContact C-N 3.32Å; K538-A564 HydrophobicContact CB-CB 4.27Å; K538-H567 HydrophobicContact CB-CB 4.22Å; K538-H567 PolarHBondContact O-CD2 2.91Å; K538-H567 PolarHBondContact O-NE2 3.24Å
539	Y	93.2	Very high	94.5	Very high	183 Å²	183	45.9 Å²	45.9	72%	0.718	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.2	179.1	-50.1	-66.4	0	0	0	113.1	S537 K541	S537-Y539 PolarHBondContact O-N 3.21Å; S537-Y539 PolarHBondContact OG-N 2.95Å; Y539-K541 PolarHBondContact O-N 2.96Å
540	S	91.1	Very high	94.6	Very high	28 Å²	28	45.5 Å²	45.5	20%	0.196	23%	0.234	C	C	.	.	S	Bend	trans	-62.4	125.3	176.3	-67.7	0	0	0	0	110.1	S537 K538 I542	S537-S540 WeakPolarHBondContact O-CB 3.31Å; S537-S540 PolarHBondContact O-N 3.18Å; S537-S540 VanDerWaalsContact O-N 3.16Å; S537-S540 PolarHBondContact O-OG 3.35Å; K538-S540 VanDerWaalsContact C-N 3.32Å; S540-I542 VanDerWaalsContact C-N 3.35Å; S540-I542 PolarHBondContact O-N 2.9Å
541	K	89.7	Confident	94.6	Very high	152 Å²	152	46.2 Å²	46.2	66%	0.661	24%	0.236	S	C	*	.			trans	-70.6	89.7	175.5	-62.6	178.8	177.1	179.3	0	109.2	Y539 E544	Y539-K541 PolarHBondContact O-N 2.96Å; K541-E544 HydrophobicContact CB-CG 4.12Å; K541-E544 WeakPolarHBondContact O-CG 3.4Å
542	I	93.9	Very high	94.6	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.237	C	C	.	.			trans	-84	-23.9	179.9	67.3	167.6	0	0	0	112.6	V535 S540 E544 K545 L546 I553 F568 Y572 L575	V535-I542 HydrophobicContact CG1-CG2 3.75Å; S540-I542 VanDerWaalsContact C-N 3.35Å; S540-I542 PolarHBondContact O-N 2.9Å; I542-E544 PolarHBondContact O-N 3.21Å; I542-K545 CarbonylContact O-C 3.53Å; I542-K545 WeakPolarHBondContact O-CA 3.39Å; I542-K545 WeakPolarHBondContact O-CB 3.23Å; I542-K545 PolarHBondContact O-N 3.41Å; I542-L546 HydrophobicContact CD1-CD1 4.22Å; I542-L546 HydrophobicContact CG1-CD1 4.31Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.42Å; I542-L546 PolarHBondContact O-N 3.05Å; I542-I553 HydrophobicContact CB-CD1 4.15Å; I542-I553 HydrophobicContact CD1-CG1 4.33Å; I542-I553 HydrophobicContact CG2-CD1 4Å; I542-F568 HydrophobicContact CB-CE1 4.41Å; I542-F568 HydrophobicContact CD1-CB 4.36Å; I542-F568 HydrophobicContact CD1-CD1 3.25Å; I542-F568 HydrophobicContact CD1-CE1 3.61Å; I542-F568 HydrophobicContact CD1-CG 3.89Å; I542-F568 HydrophobicContact CD1-CZ 4.47Å; I542-F568 HydrophobicContact CG1-CD1 3.87Å; I542-F568 HydrophobicContact CG1-CE1 3.71Å; I542-F568 HydrophobicContact CG2-CD1 4.49Å; I542-F568 HydrophobicContact CG2-CE1 3.84Å; I542-F568 HydrophobicContact CG2-CZ 3.86Å; I542-Y572 HydrophobicContact CD1-CD2 3.65Å; I542-Y572 HydrophobicContact CD1-CE2 3.45Å; I542-Y572 VanDerWaalsContact CD1-CE2 3.45Å; I542-Y572 HydrophobicContact CG1-CD2 4.41Å; I542-Y572 HydrophobicContact CG1-CE2 3.7Å; I542-L575 HydrophobicContact CD1-CD2 3.97Å
543	E	94	Very high	94.6	Very high	132 Å²	132	46.4 Å²	46.4	62%	0.617	24%	0.237	S	C	*	.	H	α-helix	trans	-54.7	-48.6	-180	-171.4	177.4	-176.2	0	0	112.5	K545 L546 A547	E543-K545 VanDerWaalsContact C-N 3.28Å; E543-K545 PolarHBondContact O-N 3.1Å; E543-L546 PolarHBondContact O-N 3.21Å; E543-A547 WeakPolarHBondContact O-CB 3.4Å; E543-A547 PolarHBondContact O-N 3.45Å
544	E	92.4	Very high	94.6	Very high	88 Å²	88	46.9 Å²	46.9	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-31	176.9	63.3	-175.2	-161.7	0	0	112.8	V517 K541 I542 A548	V517-E544 HydrophobicContact CG2-CB 4.01Å; V517-E544 HydrophobicContact CG2-CG 3.7Å; K541-E544 HydrophobicContact CB-CG 4.12Å; K541-E544 WeakPolarHBondContact O-CG 3.4Å; I542-E544 PolarHBondContact O-N 3.21Å; E544-A548 WeakPolarHBondContact O-CB 3.35Å; E544-A548 PolarHBondContact O-N 2.92Å; E544-A548 VanDerWaalsContact O-N 3.11Å
545	K	94.2	Very high	94.6	Very high	20 Å²	20	46.4 Å²	46.4	9%	0.087	24%	0.236	C	C	.	.	H	α-helix	trans	-75.8	-42.9	179.2	-63.9	-177.7	173.6	-71.9	0	111.5	T515 I520 A533 I542 E543 A548 G549 V550	T515-K545 PolarHBondContact O-NZ 2.86Å; I520-K545 HydrophobicContact CD1-CB 4Å; I520-K545 HydrophobicContact CD1-CD 4.25Å; I520-K545 HydrophobicContact CD1-CG 3.77Å; A533-K545 HydrophobicContact CB-CD 4.3Å; I542-K545 CarbonylContact O-C 3.53Å; I542-K545 WeakPolarHBondContact O-CA 3.39Å; I542-K545 WeakPolarHBondContact O-CB 3.23Å; I542-K545 PolarHBondContact O-N 3.41Å; E543-K545 VanDerWaalsContact C-N 3.28Å; E543-K545 PolarHBondContact O-N 3.1Å; K545-A548 PolarHBondContact O-N 3.3Å; K545-G549 PolarHBondContact O-N 2.86Å; K545-V550 HydrophobicContact CB-CG2 3.9Å; K545-V550 WeakPolarHBondContact O-CB 3.49Å; K545-V550 VanDerWaalsContact O-CG2 3.32Å; K545-V550 WeakPolarHBondContact O-CG2 3.3Å; K545-V550 PolarHBondContact O-N 3.1Å; K545-V550 VanDerWaalsContact O-N 3.09Å
546	L	95.7	Very high	94.6	Very high	27 Å²	27	48.8 Å²	48.8	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-44.4	173.3	-64.7	175.5	0	0	0	110.4	F29 I542 E543 A548 G549 V550 I553 Y572 L575	F29-L546 HydrophobicContact CZ-CD2 4.45Å; I542-L546 HydrophobicContact CD1-CD1 4.22Å; I542-L546 HydrophobicContact CG1-CD1 4.31Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.42Å; I542-L546 PolarHBondContact O-N 3.05Å; E543-L546 PolarHBondContact O-N 3.21Å; L546-A548 PolarHBondContact O-N 3.22Å; L546-G549 PolarHBondContact O-N 2.83Å; L546-G549 VanDerWaalsContact O-N 3.11Å; L546-V550 HydrophobicContact CD2-CB 4.25Å; L546-V550 HydrophobicContact CD2-CG1 4.11Å; L546-V550 WeakPolarHBondContact CD2-O 3.46Å; L546-I553 HydrophobicContact CD2-CD1 4.38Å; L546-I553 HydrophobicContact CD2-CG1 4.33Å; L546-Y572 HydrophobicContact CD1-CD1 4Å; L546-Y572 HydrophobicContact CD1-CE1 3.78Å; L546-Y572 HydrophobicContact CD1-CG 4.47Å; L546-L575 HydrophobicContact CD1-CD1 4.4Å; L546-L575 HydrophobicContact CD1-CD2 4.35Å; L546-L575 HydrophobicContact CD2-CD1 3.56Å; L546-L575 HydrophobicContact CD2-CD2 4.48Å
547	A	94.2	Very high	94.7	Very high	77 Å²	77	45.3 Å²	45.3	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-61.2	-29.8	175	0	0	0	0	0	112.9	E543	E543-A547 WeakPolarHBondContact O-CB 3.4Å; E543-A547 PolarHBondContact O-N 3.45Å
548	A	94.2	Very high	94.6	Very high	6 Å²	6	46.3 Å²	46.3	5%	0.05	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.6	176.8	0	0	0	0	0	115.4	V517 I520 Q521 E544 K545 L546	V517-A548 HydrophobicContact CG1-CB 3.61Å; I520-A548 HydrophobicContact CB-CB 4.09Å; I520-A548 HydrophobicContact CG2-CB 3.69Å; Q521-A548 HydrophobicContact CG-CB 3.68Å; E544-A548 WeakPolarHBondContact O-CB 3.35Å; E544-A548 PolarHBondContact O-N 2.92Å; E544-A548 VanDerWaalsContact O-N 3.11Å; K545-A548 PolarHBondContact O-N 3.3Å; L546-A548 PolarHBondContact O-N 3.22Å
549	G	93.8	Very high	94.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	119.3	3.9	176.2	0	0	0	0	0	115.9	K545 L546 D551	K545-G549 PolarHBondContact O-N 2.86Å; L546-G549 PolarHBondContact O-N 2.83Å; L546-G549 VanDerWaalsContact O-N 3.11Å; G549-D551 PolarHBondContact O-N 2.8Å
550	V	96.9	Very high	94.6	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	26%	0.259	C	S	.	.			trans	-61.8	126.7	172.5	172.2	0	0	0	0	110.6	I520 L531 A533 K545 L546 I552 I553	I520-V550 HydrophobicContact CD1-CG2 4.11Å; I520-V550 HydrophobicContact CG2-CG2 3.92Å; L531-V550 HydrophobicContact CD2-CB 4.34Å; L531-V550 HydrophobicContact CD2-CG2 3.52Å; A533-V550 HydrophobicContact CB-CB 4.4Å; A533-V550 HydrophobicContact CB-CG1 3.86Å; A533-V550 HydrophobicContact CB-CG2 3.55Å; K545-V550 HydrophobicContact CB-CG2 3.9Å; K545-V550 WeakPolarHBondContact O-CB 3.49Å; K545-V550 VanDerWaalsContact O-CG2 3.32Å; K545-V550 WeakPolarHBondContact O-CG2 3.3Å; K545-V550 PolarHBondContact O-N 3.1Å; K545-V550 VanDerWaalsContact O-N 3.09Å; L546-V550 HydrophobicContact CD2-CB 4.25Å; L546-V550 HydrophobicContact CD2-CG1 4.11Å; L546-V550 WeakPolarHBondContact CD2-O 3.46Å; V550-I552 WeakPolarHBondContact CG1-O 3.39Å; V550-I553 HydrophobicContact CG1-CD1 3.75Å; V550-I553 HydrophobicContact CG1-CG1 4.48Å
551	D	97.4	Very high	94.9	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	25%	0.251	C	S	.	.			trans	-93.2	-32.3	177.2	-58.4	-69.2	0	0	0	112.5	P530 L531 G549	P530-D551 VanDerWaalsContact CA-OD2 3.27Å; P530-D551 WeakPolarHBondContact CA-OD2 3.48Å; P530-D551 HydrophobicContact CB-CB 4.31Å; L531-D551 PolarHBondContact N-OD2 3.49Å; L531-D551 PolarHBondContact O-N 2.92Å; G549-D551 PolarHBondContact O-N 2.8Å
552	I	98.1	Very high	95.2	Very high	5 Å²	5	40 Å²	40	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.3	-172.8	-51.1	178.2	0	0	0	109.7	I429 I431 P530 L531 I532 A533 V550 P576 I578	I429-I552 HydrophobicContact CD1-CG2 4.14Å; I429-I552 HydrophobicContact CG2-CD1 4.32Å; I431-I552 HydrophobicContact CD1-CD1 3.74Å; P530-I552 HydrophobicContact CB-CD1 4.21Å; L531-I552 PolarHBondContact O-N 2.82Å; I532-I552 WeakPolarHBondContact CA-O 3.4Å; I532-I552 HydrophobicContact CG1-CB 4.04Å; I532-I552 HydrophobicContact CG1-CD1 4.19Å; I532-I552 HydrophobicContact CG1-CG1 4.49Å; I532-I552 HydrophobicContact CG2-CB 4.39Å; I532-I552 HydrophobicContact CG2-CG2 4.37Å; A533-I552 PolarHBondContact N-O 3.12Å; V550-I552 WeakPolarHBondContact CG1-O 3.39Å; I552-P576 HydrophobicContact CB-CB 4.4Å; I552-P576 HydrophobicContact CG1-CB 4.01Å; I552-P576 HydrophobicContact CG2-CB 4.19Å; I552-P576 WeakPolarHBondContact CG2-O 3.37Å; I552-I578 HydrophobicContact CG2-CD1 3.69Å; I552-I578 HydrophobicContact CG2-CG1 3.8Å
553	I	97.9	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.3	171	-63.9	-65	0	0	0	109.7	A533 V535 I542 L546 V550 I555 L575 P576 I577 I578	A533-I553 HydrophobicContact CB-CD1 4.16Å; V535-I553 HydrophobicContact CB-CG2 4.43Å; V535-I553 HydrophobicContact CG1-CD1 4.4Å; V535-I553 HydrophobicContact CG1-CG2 4.11Å; V535-I553 HydrophobicContact CG2-CG2 3.46Å; V535-I553 VanDerWaalsContact CG2-CG2 3.46Å; I542-I553 HydrophobicContact CB-CD1 4.15Å; I542-I553 HydrophobicContact CD1-CG1 4.33Å; I542-I553 HydrophobicContact CG2-CD1 4Å; L546-I553 HydrophobicContact CD2-CD1 4.38Å; L546-I553 HydrophobicContact CD2-CG1 4.33Å; V550-I553 HydrophobicContact CG1-CD1 3.75Å; V550-I553 HydrophobicContact CG1-CG1 4.48Å; I553-I555 HydrophobicContact CG2-CG1 3.82Å; I553-L575 HydrophobicContact CB-CD2 4.34Å; I553-L575 HydrophobicContact CG1-CD1 4.44Å; I553-L575 HydrophobicContact CG1-CD2 3.77Å; I553-L575 HydrophobicContact CG1-CG 4.45Å; I553-P576 PolarHBondContact N-O 3.35Å; I553-P576 VanDerWaalsContact N-O 3.11Å; I553-I577 WeakPolarHBondContact O-CA 3.25Å; I553-I578 PolarHBondContact O-N 3.02Å
554	N	97.9	Very high	95.5	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.2	171.3	175.9	34.5	0	0	0	109.9	I532 A533 T534 V535 I578	I532-N554 HydrophobicContact CG2-CB 3.66Å; A533-N554 PolarHBondContact O-N 2.77Å; T534-N554 CarbonylContact C-O 3.59Å; T534-N554 WeakPolarHBondContact CA-O 3.32Å; T534-N554 PolarHBondContact OG1-ND2 3Å; V535-N554 PolarHBondContact N-O 3.13Å; N554-I578 CarbonylContact C-O 3.4Å; N554-I578 VanDerWaalsContact CA-O 3.32Å; N554-I578 WeakPolarHBondContact CA-O 3.39Å; N554-I578 HydrophobicContact CB-CB 4.32Å
555	I	97.3	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115	-176.2	-57.8	177.7	0	0	0	109.6	V535 I553 A557 T561 A564 V565 F568 I577 I578 A579 T580	V535-I555 HydrophobicContact CG2-CB 4.36Å; V535-I555 HydrophobicContact CG2-CG1 3.81Å; I553-I555 HydrophobicContact CG2-CG1 3.82Å; I555-A557 HydrophobicContact CG2-CB 4.26Å; I555-T561 HydrophobicContact CG2-CG2 4.1Å; I555-A564 HydrophobicContact CG2-CB 3.68Å; I555-V565 HydrophobicContact CB-CG2 4.37Å; I555-V565 HydrophobicContact CD1-CB 4.23Å; I555-V565 HydrophobicContact CD1-CG2 3.67Å; I555-V565 HydrophobicContact CG2-CG2 4.39Å; I555-F568 HydrophobicContact CD1-CD2 3.71Å; I555-F568 HydrophobicContact CD1-CE2 4.5Å; I555-F568 HydrophobicContact CG1-CD2 4.36Å; I555-I577 HydrophobicContact CD1-CG2 3.67Å; I555-I577 HydrophobicContact CG1-CG2 4.16Å; I555-I578 PolarHBondContact N-O 3.23Å; I555-A579 HydrophobicContact CB-CB 4.21Å; I555-A579 WeakPolarHBondContact O-CA 3.39Å; I555-T580 PolarHBondContact O-N 2.55Å
556	S	94.5	Very high	96	Very high	52 Å²	52	37.8 Å²	37.8	36%	0.364	22%	0.22	S	C	.	.			trans	-126.9	71.8	176.5	-169.7	0	0	0	0	109.7	V535 T536	V535-S556 PolarHBondContact O-N 3.31Å; T536-S556 WeakPolarHBondContact CA-O 3.42Å
557	A	94.3	Very high	96.1	Very high	13 Å²	13	39.5 Å²	39.5	11%	0.107	23%	0.227	C	C	.	.			trans	-106.6	18.2	-175.4	0	0	0	0	0	113.1	T536 I555 K559 D560 T561 A564	T536-A557 WeakPolarHBondContact O-CA 3.36Å; T536-A557 WeakPolarHBondContact O-CB 3.46Å; I555-A557 HydrophobicContact CG2-CB 4.26Å; A557-K559 PolarHBondContact O-N 2.9Å; A557-D560 HydrophobicContact CB-CB 4.38Å; A557-D560 PolarHBondContact O-N 2.92Å; A557-T561 PolarHBondContact N-OG1 3.17Å; A557-T561 VanDerWaalsContact N-OG1 3.1Å; A557-A564 HydrophobicContact CB-CB 4.22Å
558	G	91.4	Very high	96.2	Very high	56 Å²	56	36 Å²	36	58%	0.577	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	57.4	-124.8	-179.3	0	0	0	0	0	112	D560 T561	G558-D560 PolarHBondContact O-N 2.82Å; G558-T561 PolarHBondContact N-OG1 2.98Å; G558-T561 WeakPolarHBondContact O-CB 3.45Å; G558-T561 PolarHBondContact O-N 3.21Å; G558-T561 PolarHBondContact O-OG1 2.98Å
559	K	92.7	Very high	96.3	Very high	193 Å²	193	37.7 Å²	37.7	84%	0.839	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-62.3	-23	178.4	67	177.3	-173.1	175.3	0	113.9	A557 T561	A557-K559 PolarHBondContact O-N 2.9Å; K559-T561 VanDerWaalsContact C-N 3.35Å
560	D	95.6	Very high	96.4	Very high	83 Å²	83	45 Å²	45	44%	0.444	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-94.5	8.2	-176.7	-58	-40.1	0	0	0	111.9	A557 G558 V562 D563 A564	A557-D560 HydrophobicContact CB-CB 4.38Å; A557-D560 PolarHBondContact O-N 2.92Å; G558-D560 PolarHBondContact O-N 2.82Å; D560-V562 PolarHBondContact O-N 3.05Å; D560-D563 PolarHBondContact O-N 2.82Å; D560-A564 WeakPolarHBondContact O-CB 3.11Å; D560-A564 PolarHBondContact O-N 2.93Å
561	T	96.8	Very high	96.3	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-46.2	-177.4	-68.8	0	0	0	0	112.3	I555 A557 G558 K559 D563 A564 V565 A579 T580 T591	I555-T561 HydrophobicContact CG2-CG2 4.1Å; A557-T561 PolarHBondContact N-OG1 3.17Å; A557-T561 VanDerWaalsContact N-OG1 3.1Å; G558-T561 PolarHBondContact N-OG1 2.98Å; G558-T561 WeakPolarHBondContact O-CB 3.45Å; G558-T561 PolarHBondContact O-N 3.21Å; G558-T561 PolarHBondContact O-OG1 2.98Å; K559-T561 VanDerWaalsContact C-N 3.35Å; T561-D563 VanDerWaalsContact C-N 3.31Å; T561-D563 PolarHBondContact O-N 3.26Å; T561-A564 PolarHBondContact O-N 3.45Å; T561-V565 HydrophobicContact CG2-CG2 4.14Å; T561-V565 VanDerWaalsContact O-CG2 3.24Å; T561-V565 WeakPolarHBondContact O-CG2 3.29Å; T561-V565 PolarHBondContact O-N 3.03Å; T561-A579 HydrophobicContact CG2-CB 3.9Å; T561-T580 WeakPolarHBondContact CG2-O 3.18Å; T561-T580 PolarHBondContact OG1-OG1 2.97Å; T561-T580 VanDerWaalsContact OG1-OG1 3.06Å; T561-T591 HydrophobicContact CG2-CG2 4.1Å
562	V	96.9	Very high	96.3	Very high	31 Å²	31	48.2 Å²	48.2	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-56.9	-45.2	177.9	176	0	0	0	0	111.2	D560 V565 K566 A590 A594	D560-V562 PolarHBondContact O-N 3.05Å; V562-V565 PolarHBondContact O-N 2.89Å; V562-K566 HydrophobicContact CG1-CD 4.38Å; V562-K566 WeakPolarHBondContact O-CG 3.46Å; V562-K566 PolarHBondContact O-N 2.59Å; V562-A590 HydrophobicContact CG2-CB 4.12Å; V562-A594 HydrophobicContact CG1-CB 4.02Å
563	D	97	Very high	96.1	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-67.6	-39.6	179.4	-78.4	-6.9	0	0	0	112.3	D560 T561 H567	D560-D563 PolarHBondContact O-N 2.82Å; T561-D563 VanDerWaalsContact C-N 3.31Å; T561-D563 PolarHBondContact O-N 3.26Å; D563-H567 VanDerWaalsContact O-CB 3.29Å; D563-H567 WeakPolarHBondContact O-CB 3.48Å; D563-H567 PolarHBondContact O-N 3.1Å
564	A	97.2	Very high	95.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-41.3	176.1	0	0	0	0	0	111.9	K538 I555 A557 D560 T561 H567 F568	K538-A564 HydrophobicContact CB-CB 4.27Å; I555-A564 HydrophobicContact CG2-CB 3.68Å; A557-A564 HydrophobicContact CB-CB 4.22Å; D560-A564 WeakPolarHBondContact O-CB 3.11Å; D560-A564 PolarHBondContact O-N 2.93Å; T561-A564 PolarHBondContact O-N 3.45Å; A564-H567 PolarHBondContact O-N 3.17Å; A564-F568 WeakPolarHBondContact O-CD2 3.4Å; A564-F568 PolarHBondContact O-N 3.21Å
565	V	98	Very high	95.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-50.9	174.2	175.1	0	0	0	0	110.2	I555 T561 V562 H567 F568 R569 I577 A579 T591 A594 A596	I555-V565 HydrophobicContact CB-CG2 4.37Å; I555-V565 HydrophobicContact CD1-CB 4.23Å; I555-V565 HydrophobicContact CD1-CG2 3.67Å; I555-V565 HydrophobicContact CG2-CG2 4.39Å; T561-V565 HydrophobicContact CG2-CG2 4.14Å; T561-V565 VanDerWaalsContact O-CG2 3.24Å; T561-V565 WeakPolarHBondContact O-CG2 3.29Å; T561-V565 PolarHBondContact O-N 3.03Å; V562-V565 PolarHBondContact O-N 2.89Å; V565-H567 VanDerWaalsContact C-N 3.28Å; V565-H567 PolarHBondContact O-N 3.42Å; V565-F568 PolarHBondContact O-N 2.98Å; V565-R569 VanDerWaalsContact O-CB 3.26Å; V565-R569 WeakPolarHBondContact O-CB 3.25Å; V565-R569 PolarHBondContact O-N 3.19Å; V565-I577 HydrophobicContact CG1-CG2 4.43Å; V565-I577 HydrophobicContact CG2-CG2 4.33Å; V565-A579 HydrophobicContact CG2-CB 3.6Å; V565-T591 HydrophobicContact CG2-CG2 4.24Å; V565-A594 HydrophobicContact CB-CB 3.87Å; V565-A594 HydrophobicContact CG1-CB 3.64Å; V565-A596 HydrophobicContact CG1-CB 4.15Å; V565-A596 HydrophobicContact CG2-CB 4.49Å
566	K	97.4	Very high	95.8	Very high	113 Å²	113	59.2 Å²	59.2	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-56.3	-43.7	176.9	-74.1	177.2	-176.5	170.1	0	111.8	V562 K570 A594	V562-K566 HydrophobicContact CG1-CD 4.38Å; V562-K566 WeakPolarHBondContact O-CG 3.46Å; V562-K566 PolarHBondContact O-N 2.59Å; K566-K570 WeakPolarHBondContact O-CB 3.16Å; K566-K570 PolarHBondContact O-N 3.3Å; K566-A594 HydrophobicContact CD-CB 4.38Å; K566-A594 HydrophobicContact CG-CB 3.58Å
567	H	97.6	Very high	96	Very high	63 Å²	63	56.7 Å²	56.7	29%	0.292	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-52.1	179.6	-179.8	67.8	0	0	0	112.1	K538 D563 A564 V565 K570 M571	K538-H567 HydrophobicContact CB-CB 4.22Å; K538-H567 PolarHBondContact O-CD2 2.91Å; K538-H567 PolarHBondContact O-NE2 3.24Å; D563-H567 VanDerWaalsContact O-CB 3.29Å; D563-H567 WeakPolarHBondContact O-CB 3.48Å; D563-H567 PolarHBondContact O-N 3.1Å; A564-H567 PolarHBondContact O-N 3.17Å; V565-H567 VanDerWaalsContact C-N 3.28Å; V565-H567 PolarHBondContact O-N 3.42Å; H567-K570 PolarHBondContact O-N 3.02Å; H567-M571 WeakPolarHBondContact CD2-CE 3.22Å; H567-M571 WeakPolarHBondContact NE2-CE 3.45Å; H567-M571 PolarHBondContact O-N 3.34Å
568	F	96.8	Very high	96.2	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-70.9	-37.4	-179	-68.8	-53.8	0	0	0	112.8	V535 I542 I555 A564 V565 K570 M571 Y572 I577	V535-F568 HydrophobicContact CG2-CE2 4.01Å; I542-F568 HydrophobicContact CB-CE1 4.41Å; I542-F568 HydrophobicContact CD1-CB 4.36Å; I542-F568 HydrophobicContact CD1-CD1 3.25Å; I542-F568 HydrophobicContact CD1-CE1 3.61Å; I542-F568 HydrophobicContact CD1-CG 3.89Å; I542-F568 HydrophobicContact CD1-CZ 4.47Å; I542-F568 HydrophobicContact CG1-CD1 3.87Å; I542-F568 HydrophobicContact CG1-CE1 3.71Å; I542-F568 HydrophobicContact CG2-CD1 4.49Å; I542-F568 HydrophobicContact CG2-CE1 3.84Å; I542-F568 HydrophobicContact CG2-CZ 3.86Å; I555-F568 HydrophobicContact CD1-CD2 3.71Å; I555-F568 HydrophobicContact CD1-CE2 4.5Å; I555-F568 HydrophobicContact CG1-CD2 4.36Å; A564-F568 WeakPolarHBondContact O-CD2 3.4Å; A564-F568 PolarHBondContact O-N 3.21Å; V565-F568 PolarHBondContact O-N 2.98Å; F568-K570 VanDerWaalsContact C-N 3.32Å; F568-K570 PolarHBondContact O-N 3.24Å; F568-M571 HydrophobicContact CD1-CE 3.49Å; F568-M571 VanDerWaalsContact CD1-CE 3.49Å; F568-M571 HydrophobicContact CE1-CE 3.9Å; F568-M571 PolarHBondContact O-N 2.71Å; F568-Y572 PolarHBondContact O-N 3.23Å; F568-I577 HydrophobicContact CB-CD1 4.28Å
569	R	96.9	Very high	96.5	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-38.7	174.8	-179.9	59.6	64.7	-156.6	-6.2	112	V565 M571 Y572 P573 L575 I577 G595 N597	V565-R569 VanDerWaalsContact O-CB 3.26Å; V565-R569 WeakPolarHBondContact O-CB 3.25Å; V565-R569 PolarHBondContact O-N 3.19Å; R569-M571 VanDerWaalsContact C-N 3.33Å; R569-M571 PolarHBondContact O-N 3.06Å; R569-Y572 CarbonylContact O-C 3.58Å; R569-P573 PolarHBondContact NH1-O 3.4Å; R569-P573 WeakPolarHBondContact O-CA 3.42Å; R569-L575 VanDerWaalsContact CZ-O 3.27Å; R569-L575 PolarHBondContact NH1-O 3.25Å; R569-L575 PolarHBondContact NH2-O 3.5Å; R569-I577 HydrophobicContact CB-CD1 4.29Å; R569-G595 VanDerWaalsContact CZ-O 3.3Å; R569-G595 PolarHBondContact NE-O 3.08Å; R569-G595 PolarHBondContact NH2-O 3.46Å; R569-N597 PolarHBondContact NH2-OD1 3.47Å
570	K	96.5	Very high	96.7	Very high	153 Å²	153	45.7 Å²	45.7	67%	0.665	23%	0.226	S	C	*	.	H	α-helix	trans	-61.8	-40.4	174.9	-179.6	-175.8	169.1	-163	0	112	E22 K566 H567 F568	E22-K570 IonicContact OE2-NZ 3.68Å; K566-K570 WeakPolarHBondContact O-CB 3.16Å; K566-K570 PolarHBondContact O-N 3.3Å; H567-K570 PolarHBondContact O-N 3.02Å; F568-K570 VanDerWaalsContact C-N 3.32Å; F568-K570 PolarHBondContact O-N 3.24Å
571	M	95	Very high	96.4	Very high	70 Å²	70	41.9 Å²	41.9	35%	0.345	21%	0.206	S	C	.	.	H	α-helix	trans	-80.8	-33.6	-178.8	-65.8	-172.4	-59.4	0	0	113	H567 F568 R569	H567-M571 WeakPolarHBondContact CD2-CE 3.22Å; H567-M571 WeakPolarHBondContact NE2-CE 3.45Å; H567-M571 PolarHBondContact O-N 3.34Å; F568-M571 HydrophobicContact CD1-CE 3.49Å; F568-M571 VanDerWaalsContact CD1-CE 3.49Å; F568-M571 HydrophobicContact CE1-CE 3.9Å; F568-M571 PolarHBondContact O-N 2.71Å; R569-M571 VanDerWaalsContact C-N 3.33Å; R569-M571 PolarHBondContact O-N 3.06Å
572	Y	95.8	Very high	95.9	Very high	37 Å²	37	43.5 Å²	43.5	15%	0.145	22%	0.223	C	C	.	.			trans	-130.4	79.6	-177	-54	-86.6	0	0	0	110.6	I542 L546 F568 R569 E574 L575	I542-Y572 HydrophobicContact CD1-CD2 3.65Å; I542-Y572 HydrophobicContact CD1-CE2 3.45Å; I542-Y572 VanDerWaalsContact CD1-CE2 3.45Å; I542-Y572 HydrophobicContact CG1-CD2 4.41Å; I542-Y572 HydrophobicContact CG1-CE2 3.7Å; L546-Y572 HydrophobicContact CD1-CD1 4Å; L546-Y572 HydrophobicContact CD1-CE1 3.78Å; L546-Y572 HydrophobicContact CD1-CG 4.47Å; F568-Y572 PolarHBondContact O-N 3.23Å; R569-Y572 CarbonylContact O-C 3.58Å; Y572-E574 PolarHBondContact O-N 3.45Å; Y572-E574 VanDerWaalsContact O-N 3.15Å; Y572-L575 HydrophobicContact CD2-CD2 4.4Å; Y572-L575 HydrophobicContact CG-CD2 4.24Å; Y572-L575 WeakPolarHBondContact O-CB 3.4Å; Y572-L575 PolarHBondContact O-N 3Å
573	P	94.4	Very high	95.4	Very high	69 Å²	69	47.9 Å²	47.9	45%	0.448	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31	-172.7	-28.7	36.8	0	0	0	115.3	R569	R569-P573 PolarHBondContact NH1-O 3.4Å; R569-P573 WeakPolarHBondContact O-CA 3.42Å
574	E	93.5	Very high	95	Very high	143 Å²	143	47.3 Å²	47.3	67%	0.668	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.7	-176.9	-59.3	-57.3	134	0	0	113.9	Y572 P576	Y572-E574 PolarHBondContact O-N 3.45Å; Y572-E574 VanDerWaalsContact O-N 3.15Å; E574-P576 WeakPolarHBondContact O-CD 3.45Å
575	L	95.8	Very high	94.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.268	C	S	.	.			trans	-66.9	129.1	-176.2	176.4	67.3	0	0	0	110.7	F29 I542 L546 I553 R569 Y572 I577	F29-L575 HydrophobicContact CE2-CD1 3.81Å; F29-L575 HydrophobicContact CZ-CD1 3.74Å; I542-L575 HydrophobicContact CD1-CD2 3.97Å; L546-L575 HydrophobicContact CD1-CD1 4.4Å; L546-L575 HydrophobicContact CD1-CD2 4.35Å; L546-L575 HydrophobicContact CD2-CD1 3.56Å; L546-L575 HydrophobicContact CD2-CD2 4.48Å; I553-L575 HydrophobicContact CB-CD2 4.34Å; I553-L575 HydrophobicContact CG1-CD1 4.44Å; I553-L575 HydrophobicContact CG1-CD2 3.77Å; I553-L575 HydrophobicContact CG1-CG 4.45Å; R569-L575 VanDerWaalsContact CZ-O 3.27Å; R569-L575 PolarHBondContact NH1-O 3.25Å; R569-L575 PolarHBondContact NH2-O 3.5Å; Y572-L575 HydrophobicContact CD2-CD2 4.4Å; Y572-L575 HydrophobicContact CG-CD2 4.24Å; Y572-L575 WeakPolarHBondContact O-CB 3.4Å; Y572-L575 PolarHBondContact O-N 3Å; L575-I577 HydrophobicContact CG-CG1 4.4Å; L575-I577 PolarHBondContact O-N 3.4Å
576	P	98.1	Very high	94.4	Very high	32 Å²	32	58.8 Å²	58.8	21%	0.208	30%	0.303	C	S	.	.			trans	-64.9	124.3	171.2	-23.3	34.9	0	0	0	111.2	I429 I552 I553 E574 N597	I429-P576 HydrophobicContact CD1-CB 3.99Å; I429-P576 HydrophobicContact CG1-CB 4.37Å; I429-P576 HydrophobicContact CG2-CB 4.24Å; I552-P576 HydrophobicContact CB-CB 4.4Å; I552-P576 HydrophobicContact CG1-CB 4.01Å; I552-P576 HydrophobicContact CG2-CB 4.19Å; I552-P576 WeakPolarHBondContact CG2-O 3.37Å; I553-P576 PolarHBondContact N-O 3.35Å; I553-P576 VanDerWaalsContact N-O 3.11Å; E574-P576 WeakPolarHBondContact O-CD 3.45Å; P576-N597 WeakPolarHBondContact CA-OD1 3.34Å
577	I	98.5	Very high	94.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.3	-179.1	-64.5	176.1	0	0	0	109.8	I553 I555 V565 F568 R569 L575 A579 A596 N597 A598	I553-I577 WeakPolarHBondContact O-CA 3.25Å; I555-I577 HydrophobicContact CD1-CG2 3.67Å; I555-I577 HydrophobicContact CG1-CG2 4.16Å; V565-I577 HydrophobicContact CG1-CG2 4.43Å; V565-I577 HydrophobicContact CG2-CG2 4.33Å; F568-I577 HydrophobicContact CB-CD1 4.28Å; R569-I577 HydrophobicContact CB-CD1 4.29Å; L575-I577 HydrophobicContact CG-CG1 4.4Å; L575-I577 PolarHBondContact O-N 3.4Å; I577-A579 HydrophobicContact CG2-CB 4.46Å; I577-A596 HydrophobicContact CG2-CB 4.4Å; I577-N597 PolarHBondContact N-OD1 2.9Å; I577-N597 PolarHBondContact O-N 2.8Å; I577-A598 PolarHBondContact O-N 3.09Å
578	I	98.5	Very high	94.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.8	161.1	-59.9	166.4	0	0	0	107.1	I429 I439 I532 I552 I553 N554 I555 A598 T600	I429-I578 HydrophobicContact CD1-CD1 4.42Å; I429-I578 HydrophobicContact CD1-CG1 3.7Å; I439-I578 HydrophobicContact CD1-CD1 3.64Å; I439-I578 HydrophobicContact CD1-CG1 3.88Å; I439-I578 HydrophobicContact CD1-CG2 3.81Å; I532-I578 HydrophobicContact CD1-CD1 4.25Å; I532-I578 HydrophobicContact CG2-CD1 4.35Å; I552-I578 HydrophobicContact CG2-CD1 3.69Å; I552-I578 HydrophobicContact CG2-CG1 3.8Å; I553-I578 PolarHBondContact O-N 3.02Å; N554-I578 CarbonylContact C-O 3.4Å; N554-I578 VanDerWaalsContact CA-O 3.32Å; N554-I578 WeakPolarHBondContact CA-O 3.39Å; N554-I578 HydrophobicContact CB-CB 4.32Å; I555-I578 PolarHBondContact N-O 3.23Å; I578-A598 WeakPolarHBondContact CA-O 3.46Å; I578-A598 HydrophobicContact CG1-CB 4.25Å; I578-T600 WeakPolarHBondContact CG2-OG1 3.28Å
579	A	98.2	Very high	94.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.5	176.9	0	0	0	0	0	112.7	I555 T561 V565 I577 G581 T591 A596 A598 I599 T600	I555-A579 HydrophobicContact CB-CB 4.21Å; I555-A579 WeakPolarHBondContact O-CA 3.39Å; T561-A579 HydrophobicContact CG2-CB 3.9Å; V565-A579 HydrophobicContact CG2-CB 3.6Å; I577-A579 HydrophobicContact CG2-CB 4.46Å; A579-G581 PolarHBondContact O-N 3.47Å; A579-T591 HydrophobicContact CB-CG2 3.56Å; A579-A596 HydrophobicContact CB-CB 3.83Å; A579-A598 PolarHBondContact N-O 3.43Å; A579-I599 CarbonylContact O-C 3.45Å; A579-I599 WeakPolarHBondContact O-CA 3.37Å; A579-T600 PolarHBondContact O-N 2.93Å
580	T	96.1	Very high	94.1	Very high	30 Å²	30	55.5 Å²	55.5	18%	0.184	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.8	172.9	58.8	0	0	0	0	110.7	I555 T561	I555-T580 PolarHBondContact O-N 2.55Å; T561-T580 WeakPolarHBondContact CG2-O 3.18Å; T561-T580 PolarHBondContact OG1-OG1 2.97Å; T561-T580 VanDerWaalsContact OG1-OG1 3.06Å
581	G	89.4	Confident	94.2	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.021	27%	0.27	C	S	.	.			trans	-73.7	-28	-174.3	0	0	0	0	0	115.6	A579 T587 I588 T600	A579-G581 PolarHBondContact O-N 3.47Å; G581-T587 CarbonylContact O-C 3.18Å; G581-T587 WeakPolarHBondContact O-CB 3.44Å; G581-T587 VanDerWaalsContact O-O 3.11Å; G581-T587 PolarHBondContact O-OG1 3.36Å; G581-I588 VanDerWaalsContact O-CA 3.29Å; G581-I588 WeakPolarHBondContact O-CA 3.15Å; G581-I588 PolarHBondContact O-N 3.16Å; G581-T600 PolarHBondContact N-O 2.75Å; G581-T600 VanDerWaalsContact N-O 3.13Å
582	G	86.5	Confident	94.3	Very high	38 Å²	38	45.9 Å²	45.9	39%	0.392	26%	0.258	S	S	.	.			trans	98.3	-177.5	-171.6	0	0	0	0	0	112.9
583	P	85.9	Confident	94.3	Very high	122 Å²	122	50 Å²	50	79%	0.792	28%	0.283	S	S	*	.	S	Bend	trans	-82.3	-13.3	-170.8	32.5	-36.2	0	0	0	114.9	T587	P583-T587 WeakPolarHBondContact CD-OG1 3.35Å
584	D	88.6	Confident	94.5	Very high	74 Å²	74	47.1 Å²	47.1	40%	0.396	26%	0.264	S	S	.	.	S	Bend	trans	-141.9	167.7	-172.2	54.7	50.6	0	0	0	112.1	E586 T587 I588	D584-E586 VanDerWaalsContact C-N 3.29Å; D584-E586 PolarHBondContact O-N 2.79Å; D584-E586 PolarHBondContact OD1-N 3.06Å; D584-T587 PolarHBondContact N-OG1 3.15Å; D584-T587 PolarHBondContact O-N 3.38Å; D584-T587 PolarHBondContact O-OG1 3.05Å; D584-T587 WeakPolarHBondContact OD1-CB 3.39Å; D584-T587 WeakPolarHBondContact OD1-CG2 3.48Å; D584-T587 PolarHBondContact OD1-N 3.41Å; D584-T587 PolarHBondContact OD1-OG1 3.03Å; D584-I588 WeakPolarHBondContact O-CD1 3.37Å; D584-I588 VanDerWaalsContact O-CG1 3.26Å; D584-I588 WeakPolarHBondContact O-CG1 3.37Å; D584-I588 PolarHBondContact O-N 2.87Å; D584-I588 VanDerWaalsContact O-N 3.14Å
585	E	90.8	Very high	94.7	Very high	84 Å²	84	41.3 Å²	41.3	39%	0.393	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-31.5	-177.8	-68.6	178.1	-175.8	0	0	113.3	P420 V422 I588 E589	P420-E585 HydrophobicContact CB-CG 4.39Å; V422-E585 HydrophobicContact CG1-CB 4Å; V422-E585 HydrophobicContact CG1-CG 3.95Å; E585-I588 PolarHBondContact O-N 2.83Å; E585-E589 WeakPolarHBondContact O-CB 3.45Å; E585-E589 PolarHBondContact O-N 3.48Å
586	E	92.4	Very high	94.8	Very high	158 Å²	158	41.4 Å²	41.4	74%	0.738	24%	0.244	S	C	*	.	H	α-helix	trans	-66.6	-44.3	179.5	-176.2	178.9	175	0	0	111.1	D584 E589 A590	D584-E586 VanDerWaalsContact C-N 3.29Å; D584-E586 PolarHBondContact O-N 2.79Å; D584-E586 PolarHBondContact OD1-N 3.06Å; E586-E589 PolarHBondContact O-N 2.79Å; E586-A590 WeakPolarHBondContact O-CB 3.33Å; E586-A590 PolarHBondContact O-N 2.86Å
587	T	93.8	Very high	94.8	Very high	46 Å²	46	41.3 Å²	41.3	28%	0.282	24%	0.241	S	C	.	.	H	α-helix	trans	-67.4	-36.5	175.6	48	0	0	0	0	112.3	G581 P583 D584 T591	G581-T587 CarbonylContact O-C 3.18Å; G581-T587 WeakPolarHBondContact O-CB 3.44Å; G581-T587 VanDerWaalsContact O-O 3.11Å; G581-T587 PolarHBondContact O-OG1 3.36Å; P583-T587 WeakPolarHBondContact CD-OG1 3.35Å; D584-T587 PolarHBondContact N-OG1 3.15Å; D584-T587 PolarHBondContact O-N 3.38Å; D584-T587 PolarHBondContact O-OG1 3.05Å; D584-T587 WeakPolarHBondContact OD1-CB 3.39Å; D584-T587 WeakPolarHBondContact OD1-CG2 3.48Å; D584-T587 PolarHBondContact OD1-N 3.41Å; D584-T587 PolarHBondContact OD1-OG1 3.03Å; T587-T591 WeakPolarHBondContact O-CB 3.49Å; T587-T591 PolarHBondContact O-N 2.76Å; T587-T591 PolarHBondContact O-OG1 3.29Å
588	I	95.8	Very high	94.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-50.4	174.8	-66.7	164.8	0	0	0	110.1	P420 V422 I423 G581 D584 E585 A590 T591 I592 I599	P420-I588 HydrophobicContact CB-CD1 3.84Å; P420-I588 HydrophobicContact CG-CD1 3.7Å; V422-I588 HydrophobicContact CG1-CB 3.91Å; V422-I588 HydrophobicContact CG1-CD1 4.26Å; V422-I588 HydrophobicContact CG1-CG2 3.62Å; I423-I588 HydrophobicContact CG1-CG2 3.7Å; G581-I588 VanDerWaalsContact O-CA 3.29Å; G581-I588 WeakPolarHBondContact O-CA 3.15Å; G581-I588 PolarHBondContact O-N 3.16Å; D584-I588 WeakPolarHBondContact O-CD1 3.37Å; D584-I588 VanDerWaalsContact O-CG1 3.26Å; D584-I588 WeakPolarHBondContact O-CG1 3.37Å; D584-I588 PolarHBondContact O-N 2.87Å; D584-I588 VanDerWaalsContact O-N 3.14Å; E585-I588 PolarHBondContact O-N 2.83Å; I588-A590 PolarHBondContact O-N 3.49Å; I588-T591 WeakPolarHBondContact O-CB 3.36Å; I588-T591 PolarHBondContact O-N 3.29Å; I588-T591 VanDerWaalsContact O-N 3.12Å; I588-I592 HydrophobicContact CG2-CD1 4Å; I588-I592 WeakPolarHBondContact O-CG1 3.42Å; I588-I592 PolarHBondContact O-N 3.01Å; I588-I599 HydrophobicContact CG2-CG1 4.22Å; I588-I599 HydrophobicContact CG2-CG2 4.2Å
589	E	95.7	Very high	94.8	Very high	68 Å²	68	41.3 Å²	41.3	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-46.4	178.3	-170.6	163.1	-147.9	0	0	111.2	V422 K425 E585 E586 T591 I592 D593	V422-E589 HydrophobicContact CG2-CB 3.87Å; V422-E589 HydrophobicContact CG2-CG 4.3Å; K425-E589 IonicContact NZ-OE1 3.76Å; K425-E589 PolarHBondContact NZ-OE1 3.16Å; E585-E589 WeakPolarHBondContact O-CB 3.45Å; E585-E589 PolarHBondContact O-N 3.48Å; E586-E589 PolarHBondContact O-N 2.79Å; E589-T591 PolarHBondContact O-N 3.14Å; E589-I592 WeakPolarHBondContact O-CB 3.47Å; E589-I592 PolarHBondContact O-N 3.47Å; E589-I592 VanDerWaalsContact O-N 3.08Å; E589-D593 WeakPolarHBondContact O-CB 3.48Å; E589-D593 PolarHBondContact O-N 2.84Å
590	A	97	Very high	94.8	Very high	37 Å²	37	41.7 Å²	41.7	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-32.3	176.6	0	0	0	0	0	113.2	V562 E586 I588 A594	V562-A590 HydrophobicContact CG2-CB 4.12Å; E586-A590 WeakPolarHBondContact O-CB 3.33Å; E586-A590 PolarHBondContact O-N 2.86Å; I588-A590 PolarHBondContact O-N 3.49Å; A590-A594 VanDerWaalsContact O-CB 3.31Å; A590-A594 WeakPolarHBondContact O-CB 3.39Å; A590-A594 PolarHBondContact O-N 3.37Å
591	T	97.8	Very high	94.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-73.5	-37.5	176.3	-58.5	0	0	0	0	111.7	T561 V565 A579 T587 I588 E589 A594 A596 I599	T561-T591 HydrophobicContact CG2-CG2 4.1Å; V565-T591 HydrophobicContact CG2-CG2 4.24Å; A579-T591 HydrophobicContact CB-CG2 3.56Å; T587-T591 WeakPolarHBondContact O-CB 3.49Å; T587-T591 PolarHBondContact O-N 2.76Å; T587-T591 PolarHBondContact O-OG1 3.29Å; I588-T591 WeakPolarHBondContact O-CB 3.36Å; I588-T591 PolarHBondContact O-N 3.29Å; I588-T591 VanDerWaalsContact O-N 3.12Å; E589-T591 PolarHBondContact O-N 3.14Å; T591-A594 WeakPolarHBondContact O-CB 3.45Å; T591-A594 PolarHBondContact O-N 2.98Å; T591-A596 HydrophobicContact CG2-CB 3.98Å; T591-A596 VanDerWaalsContact O-CB 3.3Å; T591-A596 WeakPolarHBondContact O-CB 3.42Å; T591-A596 PolarHBondContact O-N 2.92Å; T591-I599 HydrophobicContact CG2-CD1 3.74Å
592	I	97.5	Very high	95	Very high	18 Å²	18	46.8 Å²	46.8	9%	0.092	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-49.3	173.3	-64.9	168.2	0	0	0	109.8	V422 K425 A426 I588 E589 A594 G595 I599	V422-I592 WeakPolarHBondContact O-CD1 3.4Å; K425-I592 HydrophobicContact CB-CD1 4.32Å; K425-I592 HydrophobicContact CB-CG2 4.44Å; A426-I592 HydrophobicContact CB-CD1 4.13Å; A426-I592 HydrophobicContact CB-CG1 4.12Å; A426-I592 HydrophobicContact CB-CG2 4.4Å; I588-I592 HydrophobicContact CG2-CD1 4Å; I588-I592 WeakPolarHBondContact O-CG1 3.42Å; I588-I592 PolarHBondContact O-N 3.01Å; E589-I592 WeakPolarHBondContact O-CB 3.47Å; E589-I592 PolarHBondContact O-N 3.47Å; E589-I592 VanDerWaalsContact O-N 3.08Å; I592-A594 PolarHBondContact O-N 3.22Å; I592-G595 WeakPolarHBondContact O-CA 3.3Å; I592-G595 PolarHBondContact O-N 3.3Å; I592-I599 HydrophobicContact CD1-CG1 4.08Å; I592-I599 HydrophobicContact CG1-CD1 3.77Å; I592-I599 HydrophobicContact CG1-CG1 3.75Å
593	D	96.8	Very high	95.3	Very high	124 Å²	124	45.6 Å²	45.6	66%	0.663	26%	0.255	S	S	*	.	H	α-helix	trans	-61.7	-29.1	178.6	-72.8	-12.3	0	0	0	112.8	E589 G595	E589-D593 WeakPolarHBondContact O-CB 3.48Å; E589-D593 PolarHBondContact O-N 2.84Å; D593-G595 PolarHBondContact O-N 3.44Å
594	A	97.5	Very high	95.6	Very high	8 Å²	8	41.7 Å²	41.7	7%	0.066	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.5	171.7	0	0	0	0	0	113.6	V562 V565 K566 A590 T591 I592	V562-A594 HydrophobicContact CG1-CB 4.02Å; V565-A594 HydrophobicContact CB-CB 3.87Å; V565-A594 HydrophobicContact CG1-CB 3.64Å; K566-A594 HydrophobicContact CD-CB 4.38Å; K566-A594 HydrophobicContact CG-CB 3.58Å; A590-A594 VanDerWaalsContact O-CB 3.31Å; A590-A594 WeakPolarHBondContact O-CB 3.39Å; A590-A594 PolarHBondContact O-N 3.37Å; T591-A594 WeakPolarHBondContact O-CB 3.45Å; T591-A594 PolarHBondContact O-N 2.98Å; I592-A594 PolarHBondContact O-N 3.22Å
595	G	97.2	Very high	95.6	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.6	20.9	177.3	0	0	0	0	0	114.9	R569 I592 D593	R569-G595 VanDerWaalsContact CZ-O 3.3Å; R569-G595 PolarHBondContact NE-O 3.08Å; R569-G595 PolarHBondContact NH2-O 3.46Å; I592-G595 WeakPolarHBondContact O-CA 3.3Å; I592-G595 PolarHBondContact O-N 3.3Å; D593-G595 PolarHBondContact O-N 3.44Å
596	A	98.3	Very high	95.5	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.033	23%	0.233	C	C	.	.			trans	-72	135.9	170.3	0	0	0	0	0	110.4	V565 I577 A579 T591 I599	V565-A596 HydrophobicContact CG1-CB 4.15Å; V565-A596 HydrophobicContact CG2-CB 4.49Å; I577-A596 HydrophobicContact CG2-CB 4.4Å; A579-A596 HydrophobicContact CB-CB 3.83Å; T591-A596 HydrophobicContact CG2-CB 3.98Å; T591-A596 VanDerWaalsContact O-CB 3.3Å; T591-A596 WeakPolarHBondContact O-CB 3.42Å; T591-A596 PolarHBondContact O-N 2.92Å; A596-I599 HydrophobicContact CB-CD1 4.07Å
597	N	98.5	Very high	95.4	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.16	22%	0.224	C	C	.	.	S	Bend	trans	-86.7	-28.6	178.7	-57.7	109.5	0	0	0	112.2	A426 S427 G428 I429 R569 P576 I577	A426-N597 WeakPolarHBondContact CB-O 3.5Å; S427-N597 PolarHBondContact OG-ND2 3.01Å; G428-N597 WeakPolarHBondContact CA-O 3.42Å; G428-N597 PolarHBondContact N-O 2.66Å; I429-N597 HydrophobicContact CD1-CB 4.1Å; I429-N597 HydrophobicContact CG1-CB 3.52Å; R569-N597 PolarHBondContact NH2-OD1 3.47Å; P576-N597 WeakPolarHBondContact CA-OD1 3.34Å; I577-N597 PolarHBondContact N-OD1 2.9Å; I577-N597 PolarHBondContact O-N 2.8Å
598	A	98.5	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.6	177.8	0	0	0	0	0	110.6	I429 R437 I439 I577 I578 A579	I429-A598 HydrophobicContact CD1-CB 4.18Å; I429-A598 HydrophobicContact CG1-CB 4.32Å; R437-A598 CarbonylContact O-C 3.48Å; R437-A598 VanDerWaalsContact O-CA 3.28Å; R437-A598 WeakPolarHBondContact O-CA 3.44Å; R437-A598 WeakPolarHBondContact O-CB 3.25Å; I439-A598 HydrophobicContact CD1-CB 4.16Å; I577-A598 PolarHBondContact O-N 3.09Å; I578-A598 WeakPolarHBondContact CA-O 3.46Å; I578-A598 HydrophobicContact CG1-CB 4.25Å; A579-A598 PolarHBondContact N-O 3.43Å
599	I	98.5	Very high	94.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.6	-175.6	-60.9	-61.2	0	0	0	110.4	I423 R437 I439 A579 I588 T591 I592 A596	I423-I599 HydrophobicContact CD1-CB 4.12Å; I423-I599 HydrophobicContact CD1-CG2 3.88Å; I423-I599 HydrophobicContact CG1-CB 4.02Å; I423-I599 HydrophobicContact CG1-CG1 4.38Å; I423-I599 HydrophobicContact CG1-CG2 4.04Å; I423-I599 HydrophobicContact CG2-CB 3.96Å; I423-I599 HydrophobicContact CG2-CG1 4.31Å; R437-I599 PolarHBondContact O-N 3.41Å; I439-I599 PolarHBondContact N-O 3.39Å; A579-I599 CarbonylContact O-C 3.45Å; A579-I599 WeakPolarHBondContact O-CA 3.37Å; I588-I599 HydrophobicContact CG2-CG1 4.22Å; I588-I599 HydrophobicContact CG2-CG2 4.2Å; T591-I599 HydrophobicContact CG2-CD1 3.74Å; I592-I599 HydrophobicContact CD1-CG1 4.08Å; I592-I599 HydrophobicContact CG1-CD1 3.77Å; I592-I599 HydrophobicContact CG1-CG1 3.75Å; A596-I599 HydrophobicContact CB-CD1 4.07Å
600	T	97.4	Very high	94.5	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.7	165.6	-60.2	0	0	0	0	110	I439 F441 I457 I578 A579 G581	I439-T600 CarbonylContact O-C 3.6Å; I439-T600 VanDerWaalsContact O-CA 3.25Å; I439-T600 WeakPolarHBondContact O-CA 3.41Å; F441-T600 HydrophobicContact CB-CG2 3.57Å; F441-T600 HydrophobicContact CG-CG2 4.34Å; I457-T600 HydrophobicContact CG2-CG2 3.74Å; I578-T600 WeakPolarHBondContact CG2-OG1 3.28Å; A579-T600 PolarHBondContact O-N 2.93Å; G581-T600 PolarHBondContact N-O 2.75Å; G581-T600 VanDerWaalsContact N-O 3.13Å
601	Y	95.8	Very high	94.1	Very high	49 Å²	49	43.3 Å²	43.3	19%	0.192	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.3	-179.9	174.1	-109.7	0	0	0	110.6	V419 P420 I439 I440 F441 P603	V419-Y601 HydrophobicContact CB-CD1 4.47Å; V419-Y601 HydrophobicContact CG1-CD1 4.07Å; P420-Y601 HydrophobicContact CG-CD2 4Å; P420-Y601 HydrophobicContact CG-CE2 3.74Å; I439-Y601 PolarHBondContact O-N 3.31Å; I440-Y601 CarbonylContact C-O 3.59Å; F441-Y601 PolarHBondContact N-O 3.18Å; Y601-P603 HydrophobicContact CE1-CB 4.32Å
602	T	94.8	Very high	93.5	Very high	89 Å²	89	49.3 Å²	49.3	55%	0.546	29%	0.287	S	S	.	.			trans	-93	114.9	175.1	-55.3	0	0	0	0	108.8	F441	F441-T602 HydrophobicContact CD1-CG2 4.47Å
603	P	93.1	Very high	92.8	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.084	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-73.6	160.6	-179.6	33.6	-35.7	0	0	0	111.1	V417 I440 F441 I447 Y601	V417-P603 HydrophobicContact CG1-CB 3.7Å; I440-P603 HydrophobicContact CD1-CB 3.86Å; I440-P603 HydrophobicContact CD1-CG 3.81Å; I440-P603 HydrophobicContact CG1-CB 4.15Å; I440-P603 HydrophobicContact CG1-CG 3.71Å; F441-P603 VanDerWaalsContact O-CD 3.25Å; F441-P603 WeakPolarHBondContact O-CD 3.41Å; I447-P603 HydrophobicContact CD1-CG 4.25Å; I447-P603 HydrophobicContact CG2-CB 4.2Å; I447-P603 HydrophobicContact CG2-CG 3.94Å; Y601-P603 HydrophobicContact CE1-CB 4.32Å
604	P	91	Very high	92.5	Very high	40 Å²	40	49.7 Å²	49.7	26%	0.26	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-55.4	141.7	163.8	-19.7	31.6	0	0	0	110.2	I447 V608 L609	I447-P604 WeakPolarHBondContact CD1-O 3Å; P604-V608 HydrophobicContact CB-CB 4.11Å; P604-V608 HydrophobicContact CB-CG1 3.92Å; P604-L609 HydrophobicContact CB-CD2 3.97Å; P604-L609 HydrophobicContact CB-CG 4.21Å; P604-L609 HydrophobicContact CG-CD2 4.24Å
605	S	89.4	Confident	92	Very high	69 Å²	69	55.2 Å²	55.2	48%	0.483	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-65	157	175.7	69.7	0	0	0	0	111.1	G607 V608 L609	S605-G607 PolarHBondContact O-N 3Å; S605-G607 VanDerWaalsContact O-N 3.17Å; S605-V608 WeakPolarHBondContact O-CA 3.44Å; S605-V608 WeakPolarHBondContact O-CB 3.48Å; S605-V608 PolarHBondContact O-N 3.23Å; S605-V608 WeakPolarHBondContact OG-CG2 3.37Å; S605-V608 PolarHBondContact OG-N 2.69Å; S605-L609 PolarHBondContact O-N 3.17Å
606	N	89.2	Confident	91.3	Very high	72 Å²	72	59.6 Å²	59.6	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-53	-38.4	175.8	-172	0.4	0	0	0	112	D444 V608 L609 F610	D444-N606 WeakPolarHBondContact OD2-CB 3.31Å; N606-V608 VanDerWaalsContact C-N 3.34Å; N606-V608 PolarHBondContact O-N 2.89Å; N606-L609 PolarHBondContact O-N 3.42Å; N606-F610 WeakPolarHBondContact O-CB 3.33Å; N606-F610 PolarHBondContact O-N 2.66Å
607	G	89.6	Confident	90.8	Very high	53 Å²	53	64.2 Å²	64.2	55%	0.546	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-38.6	173.9	0	0	0	0	0	114.1	S605 S611	S605-G607 PolarHBondContact O-N 3Å; S605-G607 VanDerWaalsContact O-N 3.17Å; G607-S611 WeakPolarHBondContact O-CB 3.31Å; G607-S611 PolarHBondContact O-N 2.69Å
608	V	89.7	Confident	90.4	Very high	67 Å²	67	68.9 Å²	68.9	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-70	-43.2	175.6	174.5	0	0	0	0	111	P604 S605 N606 S611 K612	P604-V608 HydrophobicContact CB-CB 4.11Å; P604-V608 HydrophobicContact CB-CG1 3.92Å; S605-V608 WeakPolarHBondContact O-CA 3.44Å; S605-V608 WeakPolarHBondContact O-CB 3.48Å; S605-V608 PolarHBondContact O-N 3.23Å; S605-V608 WeakPolarHBondContact OG-CG2 3.37Å; S605-V608 PolarHBondContact OG-N 2.69Å; N606-V608 VanDerWaalsContact C-N 3.34Å; N606-V608 PolarHBondContact O-N 2.89Å; V608-S611 PolarHBondContact O-N 3.36Å; V608-K612 PolarHBondContact O-N 2.87Å; V608-K612 VanDerWaalsContact O-N 3.16Å
609	L	87.9	Confident	89.7	Confident	55 Å²	55	75.4 Å²	75.4	29%	0.288	38%	0.383	S	S	.	.	H	α-helix	trans	-61.1	-47.4	177.3	-63.6	174.2	0	0	0	111	V417 I447 P604 S605 N606 S611 K612 K613	V417-L609 HydrophobicContact CG2-CD1 3.67Å; I447-L609 HydrophobicContact CD1-CD1 4.42Å; I447-L609 HydrophobicContact CG1-CD1 4.32Å; P604-L609 HydrophobicContact CB-CD2 3.97Å; P604-L609 HydrophobicContact CB-CG 4.21Å; P604-L609 HydrophobicContact CG-CD2 4.24Å; S605-L609 PolarHBondContact O-N 3.17Å; N606-L609 PolarHBondContact O-N 3.42Å; L609-S611 PolarHBondContact O-N 2.96Å; L609-K612 PolarHBondContact O-N 3.49Å; L609-K613 PolarHBondContact O-N 2.98Å; L609-K613 VanDerWaalsContact O-N 3.13Å
610	F	88.4	Confident	88.9	Confident	120 Å²	120	79.1 Å²	79.1	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-41.2	178.2	-162.8	-101	0	0	0	111.8	N606 K612 K613 M614	N606-F610 WeakPolarHBondContact O-CB 3.33Å; N606-F610 PolarHBondContact O-N 2.66Å; F610-K612 VanDerWaalsContact C-N 3.34Å; F610-K612 PolarHBondContact O-N 2.84Å; F610-K613 PolarHBondContact O-N 3.16Å; F610-M614 HydrophobicContact CD1-CG 3.71Å; F610-M614 HydrophobicContact CE1-CE 4.49Å; F610-M614 HydrophobicContact CE1-CG 3.46Å; F610-M614 VanDerWaalsContact CE1-CG 3.46Å; F610-M614 HydrophobicContact CE1-SD 3.8Å; F610-M614 HydrophobicContact CG-CG 4.44Å; F610-M614 HydrophobicContact CZ-CG 4Å; F610-M614 HydrophobicContact CZ-SD 3.8Å; F610-M614 VanDerWaalsContact O-CG 3.31Å; F610-M614 WeakPolarHBondContact O-CG 3.24Å; F610-M614 PolarHBondContact O-N 3.18Å
611	S	89.3	Confident	88.3	Confident	67 Å²	67	85 Å²	85	47%	0.469	43%	0.428	S	S	.	.	H	α-helix	trans	-57.7	-44.5	176.3	-174.4	0	0	0	0	112.4	G607 V608 L609 M614 E615	G607-S611 WeakPolarHBondContact O-CB 3.31Å; G607-S611 PolarHBondContact O-N 2.69Å; V608-S611 PolarHBondContact O-N 3.36Å; L609-S611 PolarHBondContact O-N 2.96Å; S611-M614 PolarHBondContact O-N 2.96Å; S611-E615 WeakPolarHBondContact O-CB 3.31Å; S611-E615 PolarHBondContact O-N 2.97Å
612	K	85.3	Confident	87.8	Confident	129 Å²	129	89.9 Å²	89.9	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-62.7	-42.7	176.4	-72	-179.3	178.5	-177.5	0	111.9	V608 L609 F610 E615 K616	V608-K612 PolarHBondContact O-N 2.87Å; V608-K612 VanDerWaalsContact O-N 3.16Å; L609-K612 PolarHBondContact O-N 3.49Å; F610-K612 VanDerWaalsContact C-N 3.34Å; F610-K612 PolarHBondContact O-N 2.84Å; K612-E615 PolarHBondContact O-N 2.95Å; K612-K616 PolarHBondContact O-N 2.84Å; K612-K616 VanDerWaalsContact O-N 3.08Å
613	K	83.8	Confident	87	Confident	81 Å²	81	89.4 Å²	89.4	35%	0.352	44%	0.441	S	S	.	.	H	α-helix	trans	-64.4	-43.8	178.6	-166.8	158.5	-176.2	150.9	0	111.7	D415 L609 F610 E615 K616 Y617	D415-K613 IonicContact OD2-NZ 2.76Å; D415-K613 PolarHBondContact OD2-NZ 2.7Å; L609-K613 PolarHBondContact O-N 2.98Å; L609-K613 VanDerWaalsContact O-N 3.13Å; F610-K613 PolarHBondContact O-N 3.16Å; K613-E615 VanDerWaalsContact C-N 3.31Å; K613-E615 PolarHBondContact O-N 2.93Å; K613-K616 WeakPolarHBondContact O-CB 3.25Å; K613-K616 PolarHBondContact O-N 3.49Å; K613-Y617 HydrophobicContact CD-CE2 4.46Å; K613-Y617 WeakPolarHBondContact CE-OH 3.4Å; K613-Y617 HydrophobicContact CG-CD2 4.42Å; K613-Y617 HydrophobicContact CG-CE1 4.43Å; K613-Y617 HydrophobicContact CG-CE2 3.74Å; K613-Y617 PolarHBondContact O-N 2.91Å
614	M	89.6	Confident	86.2	Confident	68 Å²	68	95 Å²	95	34%	0.335	47%	0.466	S	S	.	.	H	α-helix	trans	-66.9	-30.8	175.9	-65.3	-62	-75.7	0	0	112.9	F610 S611 Y617 R618	F610-M614 HydrophobicContact CD1-CG 3.71Å; F610-M614 HydrophobicContact CE1-CE 4.49Å; F610-M614 HydrophobicContact CE1-CG 3.46Å; F610-M614 VanDerWaalsContact CE1-CG 3.46Å; F610-M614 HydrophobicContact CE1-SD 3.8Å; F610-M614 HydrophobicContact CG-CG 4.44Å; F610-M614 HydrophobicContact CZ-CG 4Å; F610-M614 HydrophobicContact CZ-SD 3.8Å; F610-M614 VanDerWaalsContact O-CG 3.31Å; F610-M614 WeakPolarHBondContact O-CG 3.24Å; F610-M614 PolarHBondContact O-N 3.18Å; S611-M614 PolarHBondContact O-N 2.96Å; M614-Y617 PolarHBondContact O-N 3.5Å; M614-Y617 HydrophobicContact SD-CD2 3.95Å; M614-R618 WeakPolarHBondContact O-CB 3.38Å; M614-R618 WeakPolarHBondContact O-CG 3.4Å; M614-R618 PolarHBondContact O-N 2.86Å
615	E	87.9	Confident	85.1	Confident	124 Å²	124	96 Å²	96	58%	0.579	48%	0.483	S	S	*	.	H	α-helix	trans	-66.8	-41.7	172.6	-172.1	176.1	-173	0	0	111.8	S611 K612 K613 R618 K619	S611-E615 WeakPolarHBondContact O-CB 3.31Å; S611-E615 PolarHBondContact O-N 2.97Å; K612-E615 PolarHBondContact O-N 2.95Å; K613-E615 VanDerWaalsContact C-N 3.31Å; K613-E615 PolarHBondContact O-N 2.93Å; E615-R618 PolarHBondContact O-N 3.36Å; E615-K619 PolarHBondContact O-N 3.45Å; E615-K619 WeakPolarHBondContact O-CB 3.34Å
616	K	82.4	Confident	83.7	Confident	112 Å²	112	99 Å²	99	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-58.3	-47.6	171.6	-175.8	-176.9	175.1	-174.4	0	111.1	K612 K613 K619 M620	K612-K616 PolarHBondContact O-N 2.84Å; K612-K616 VanDerWaalsContact O-N 3.08Å; K613-K616 WeakPolarHBondContact O-CB 3.25Å; K613-K616 PolarHBondContact O-N 3.49Å; K616-K619 PolarHBondContact O-N 2.95Å; K616-K619 WeakPolarHBondContact O-CB 3.23Å; K616-M620 HydrophobicContact CG-SD 4.21Å; K616-M620 WeakPolarHBondContact O-CG 3.49Å; K616-M620 PolarHBondContact O-N 3.16Å
617	Y	86.2	Confident	81.6	Confident	101 Å²	101	106.2 Å²	106.2	40%	0.396	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-46	178.4	-63	-27.6	0	0	0	112.8	K613 M614 K619 M620 E621	K613-Y617 HydrophobicContact CD-CE2 4.46Å; K613-Y617 WeakPolarHBondContact CE-OH 3.4Å; K613-Y617 HydrophobicContact CG-CD2 4.42Å; K613-Y617 HydrophobicContact CG-CE1 4.43Å; K613-Y617 HydrophobicContact CG-CE2 3.74Å; K613-Y617 PolarHBondContact O-N 2.91Å; M614-Y617 PolarHBondContact O-N 3.5Å; M614-Y617 HydrophobicContact SD-CD2 3.95Å; Y617-K619 PolarHBondContact O-N 3.32Å; Y617-M620 HydrophobicContact CD1-SD 4.3Å; Y617-M620 WeakPolarHBondContact O-CB 3.48Å; Y617-M620 PolarHBondContact O-N 3.43Å; Y617-M620 VanDerWaalsContact O-N 3.12Å; Y617-E621 WeakPolarHBondContact O-CG 3.19Å; Y617-E621 PolarHBondContact O-N 3.49Å
618	R	89.7	Confident	81.2	Confident	128 Å²	128	108.9 Å²	108.9	48%	0.483	52%	0.519	S	S	.	.	H	α-helix	trans	-58.9	-36.7	175	-76.3	-174.7	-65.3	-91.6	0.6	112.6	M614 E615 Y622	M614-R618 WeakPolarHBondContact O-CB 3.38Å; M614-R618 WeakPolarHBondContact O-CG 3.4Å; M614-R618 PolarHBondContact O-N 2.86Å; E615-R618 PolarHBondContact O-N 3.36Å; R618-Y622 WeakPolarHBondContact O-CB 3.35Å; R618-Y622 PolarHBondContact O-N 2.78Å
619	K	84.3	Confident	80.7	Confident	138 Å²	138	111.1 Å²	111.1	60%	0.6	53%	0.525	S	S	*	.	H	α-helix	trans	-67.7	-42.9	175.6	-174	179	175.9	-175.8	0	111.6	E615 K616 Y617 Y622 D623	E615-K619 PolarHBondContact O-N 3.45Å; E615-K619 WeakPolarHBondContact O-CB 3.34Å; K616-K619 PolarHBondContact O-N 2.95Å; K616-K619 WeakPolarHBondContact O-CB 3.23Å; Y617-K619 PolarHBondContact O-N 3.32Å; K619-Y622 WeakPolarHBondContact O-CB 3.23Å; K619-Y622 PolarHBondContact O-N 2.92Å; K619-D623 WeakPolarHBondContact O-CB 3.43Å; K619-D623 VanDerWaalsContact O-CG 3.23Å; K619-D623 PolarHBondContact O-N 3.26Å
620	M	82.1	Confident	80.3	Confident	77 Å²	77	114.2 Å²	114.2	38%	0.379	54%	0.538	S	S	.	.	H	α-helix	trans	-61.1	-46.1	175.3	-67.7	171.4	67.1	0	0	111.6	K616 Y617 Y622 D623 E624	K616-M620 HydrophobicContact CG-SD 4.21Å; K616-M620 WeakPolarHBondContact O-CG 3.49Å; K616-M620 PolarHBondContact O-N 3.16Å; Y617-M620 HydrophobicContact CD1-SD 4.3Å; Y617-M620 WeakPolarHBondContact O-CB 3.48Å; Y617-M620 PolarHBondContact O-N 3.43Å; Y617-M620 VanDerWaalsContact O-N 3.12Å; M620-Y622 VanDerWaalsContact C-N 3.31Å; M620-Y622 PolarHBondContact O-N 2.81Å; M620-D623 PolarHBondContact O-N 2.67Å; M620-E624 WeakPolarHBondContact O-CB 3.32Å; M620-E624 WeakPolarHBondContact O-CG 3.47Å; M620-E624 PolarHBondContact O-N 3.07Å
621	E	85.7	Confident	79.8	Confident	133 Å²	133	113.9 Å²	113.9	62%	0.621	54%	0.539	S	S	*	.	H	α-helix	trans	-60.2	-39.4	175.4	-71	175.4	171.5	0	0	112.3	Y617 G625	Y617-E621 WeakPolarHBondContact O-CG 3.19Å; Y617-E621 PolarHBondContact O-N 3.49Å; E621-G625 PolarHBondContact O-N 2.97Å
622	Y	83.7	Confident	79.2	Confident	152 Å²	152	116.8 Å²	116.8	60%	0.596	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-42.9	175.8	-178.4	-90.9	0	0	0	112	R618 K619 M620 H626	R618-Y622 WeakPolarHBondContact O-CB 3.35Å; R618-Y622 PolarHBondContact O-N 2.78Å; K619-Y622 WeakPolarHBondContact O-CB 3.23Å; K619-Y622 PolarHBondContact O-N 2.92Å; M620-Y622 VanDerWaalsContact C-N 3.31Å; M620-Y622 PolarHBondContact O-N 2.81Å; Y622-H626 AromaticContact CE2-CD2 3.48Å; Y622-H626 PolarHBondContact O-N 3.2Å; Y622-H626 PolarHBondContact O-CD2 3.22Å; Y622-H626 AromaticContact CZ-NE2 3.46Å; Y622-H626 AromaticContact CZ-CD2 3.36Å; Y622-H626 AromaticContact CG-CD2 3.99Å; Y622-H626 WeakPolarHBondContact CE2-NE2 3.45Å; Y622-H626 AromaticContact CE2-NE2 3.23Å; Y622-H626 WeakPolarHBondContact CE2-CD2 3.4Å; Y622-H626 VanDerWaalsContact CE2-CD2 3.48Å; Y622-H626 AromaticContact CE1-CD2 3.58Å; Y622-H626 AromaticContact CD2-NE2 3.76Å; Y622-H626 AromaticContact CD2-CD2 3.79Å; Y622-H626 AromaticContact CD1-CD2 3.9Å
623	D	78.3	Confident	78.8	Confident	78 Å²	78	116 Å²	116	42%	0.417	54%	0.542	S	S	.	.	H	α-helix	trans	-71.1	-34.8	-179.4	-67.5	-20.9	0	0	0	111.6	K619 M620	K619-D623 WeakPolarHBondContact O-CB 3.43Å; K619-D623 VanDerWaalsContact O-CG 3.23Å; K619-D623 PolarHBondContact O-N 3.26Å; M620-D623 PolarHBondContact O-N 2.67Å
624	E	76.5	Confident	78.5	Confident	132 Å²	132	118.5 Å²	118.5	62%	0.617	56%	0.556	S	S	*	*	H	α-helix	trans	-74.3	-36.9	175	-73.7	176.6	-174.1	0	0	112.9	M620 H626	M620-E624 WeakPolarHBondContact O-CB 3.32Å; M620-E624 WeakPolarHBondContact O-CG 3.47Å; M620-E624 PolarHBondContact O-N 3.07Å; E624-H626 PolarHBondContact O-N 3.31Å
625	G	69	Low	77.6	Confident	59 Å²	59	122.4 Å²	122.4	61%	0.608	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-6.4	178.2	0	0	0	0	0	114.8	E621	E621-G625 PolarHBondContact O-N 2.97Å
626	H	58.8	Low	76.8	Confident	133 Å²	133	122.3 Å²	122.3	62%	0.616	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	9	177.9	-73.1	-43.2	0	0	0	114.1	Y622 E624	Y622-H626 AromaticContact CE2-CD2 3.48Å; Y622-H626 PolarHBondContact O-N 3.2Å; Y622-H626 PolarHBondContact O-CD2 3.22Å; Y622-H626 AromaticContact CZ-NE2 3.46Å; Y622-H626 AromaticContact CZ-CD2 3.36Å; Y622-H626 AromaticContact CG-CD2 3.99Å; Y622-H626 WeakPolarHBondContact CE2-NE2 3.45Å; Y622-H626 AromaticContact CE2-NE2 3.23Å; Y622-H626 WeakPolarHBondContact CE2-CD2 3.4Å; Y622-H626 VanDerWaalsContact CE2-CD2 3.48Å; Y622-H626 AromaticContact CE1-CD2 3.58Å; Y622-H626 AromaticContact CD2-NE2 3.76Å; Y622-H626 AromaticContact CD2-CD2 3.79Å; Y622-H626 AromaticContact CD1-CD2 3.9Å; E624-H626 PolarHBondContact O-N 3.31Å
627	Q	44.7	Very low	76.3	Confident	224 Å²	224	123.2 Å²	123.2	100%	1.047	58%	0.58	S	S	*	*			trans	-91.5	0	160.7	-68.8	-178.9	18.3	0	0	110.2

Retrieved 627 of 627 residues in 801.3 ms (Link to these results)

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