A0A087XSJ4_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XSJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	35.2	Very low	225 Å²	225	150.4 Å²	150.4	100%	1.108	79%	0.794	S	S	*	*				0	120.8	0	-60.9	154.3	174.8	0	0	107.5
2	E	33.3	Very low	35.1	Very low	161 Å²	161	146.1 Å²	146.1	75%	0.752	80%	0.796	S	S	*	*			cis	-161.8	149.5	-19.1	-124.6	156.3	126.2	0	0	111.1
3	T	37	Very low	35	Very low	118 Å²	118	144.8 Å²	144.8	72%	0.724	80%	0.804	S	S	*	*			trans	12.7	151.6	143.1	57.9	0	0	0	0	121
4	A	36.7	Very low	34.9	Very low	71 Å²	71	151.6 Å²	151.6	59%	0.587	81%	0.812	S	S	*	*			cis	-168.5	156.8	18.5	0	0	0	0	0	114.6
5	Y	32.1	Very low	36.3	Very low	210 Å²	210	148 Å²	148	82%	0.824	80%	0.8	S	S	*	*			trans	54.2	150.3	141.5	-64.8	-53.7	0	0	0	121.3
6	L	30.7	Very low	36	Very low	149 Å²	149	150.3 Å²	150.3	78%	0.78	80%	0.804	S	S	*	*			cis	-146.6	-178.1	11	-127.5	159.7	0	0	0	110.7
7	S	29.1	Very low	35.7	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	80%	0.797	S	S	*	*			trans	-154.5	-158.9	179.3	-71.1	0	0	0	0	109.6
8	P	59.3	Low	35.6	Very low	112 Å²	112	148.7 Å²	148.7	73%	0.727	80%	0.803	S	S	*	*				-119.4	-171.4	-85.8	40.5	-27.2	0	0	0	112.4
9	H	32	Very low	35.4	Very low	190 Å²	190	154.1 Å²	154.1	88%	0.88	81%	0.811	S	S	*	*			trans	-161.8	169.4	141.8	-116	-80.5	0	0	0	114
10	R	36.2	Very low	35.3	Very low	247 Å²	247	149.5 Å²	149.5	93%	0.932	80%	0.802	S	S	*	*			trans	-129.7	155.3	-171.7	-76.3	178.6	166.5	-174.7	-2.3	113.8
11	G	30	Very low	35.4	Very low	68 Å²	68	152.1 Å²	152.1	70%	0.701	81%	0.809	S	S	*	*			trans	179.8	120.6	154.1	0	0	0	0	0	109.1
12	A	34.4	Very low	35.4	Very low	99 Å²	99	147.2 Å²	147.2	82%	0.818	80%	0.797	S	S	*	*				54.4	115.5	68.8	0	0	0	0	0	111.5
13	S	33.8	Very low	35.8	Very low	129 Å²	129	144.2 Å²	144.2	90%	0.902	80%	0.8	S	S	*	*				-155.1	-160.5	55.5	-68.1	0	0	0	0	114.2
14	R	33.7	Very low	35.9	Very low	240 Å²	240	143.6 Å²	143.6	91%	0.906	81%	0.806	S	S	*	*			trans	-113.9	-161.7	-166.7	-145.6	-165.9	175.2	-173.7	-1.9	112.4
15	P	54.9	Low	35.9	Very low	98 Å²	98	143.4 Å²	143.4	64%	0.636	81%	0.811	S	S	*	*				-116.3	-154.5	-118.5	43.9	-26.8	0	0	0	115.3
16	E	32.2	Very low	36.2	Very low	185 Å²	185	143.3 Å²	143.3	86%	0.864	82%	0.815	S	S	*	*			trans	80	151.9	172.5	-73.6	-179.2	-165.5	0	0	117
17	S	31.7	Very low	37.6	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	82%	0.818	S	S	*	*			cis	-165.9	179.6	-22	-169.8	0	0	0	0	110.4
18	L	33.3	Very low	38.1	Very low	173 Å²	173	141.7 Å²	141.7	91%	0.906	82%	0.819	S	S	*	*			trans	70.7	142.4	164.3	-67.4	163.1	0	0	0	119.9
19	R	32.2	Very low	37.4	Very low	252 Å²	252	141.7 Å²	141.7	95%	0.951	83%	0.828	S	S	*	*			trans	-150.6	126	168.6	-169.8	-175	-164	-137.9	4.9	111.2
20	G	33	Very low	37.5	Very low	61 Å²	61	135.8 Å²	135.8	63%	0.629	82%	0.819	S	S	*	*			trans	119.5	127.6	152.7	0	0	0	0	0	118
21	Q	37.6	Very low	37.7	Very low	205 Å²	205	130.9 Å²	130.9	96%	0.958	82%	0.816	S	S	*	*			trans	-175.7	161.9	134.2	-105.7	163.4	100.3	0	0	113.6
22	S	31	Very low	39	Very low	123 Å²	123	132.8 Å²	132.8	86%	0.86	82%	0.816	S	S	*	*			trans	-163.1	152.5	167.2	-172.2	0	0	0	0	108.9
23	A	40.4	Very low	39	Very low	98 Å²	98	133.4 Å²	133.4	81%	0.81	82%	0.815	S	S	*	*			trans	-160	-176.4	-174.6	0	0	0	0	0	111.3
24	A	40.2	Very low	40.2	Very low	104 Å²	104	132.9 Å²	132.9	86%	0.86	81%	0.808	S	S	*	*			cis	-158.8	-177.3	7.2	0	0	0	0	0	108.7
25	G	36.2	Very low	41.1	Very low	67 Å²	67	126.5 Å²	126.5	69%	0.691	80%	0.798	S	S	*	*			cis	143.5	148.4	-8.4	0	0	0	0	0	114.5
26	K	37.5	Very low	40.3	Very low	208 Å²	208	128 Å²	128	90%	0.904	81%	0.805	S	S	*	*			trans	84.2	158.6	172	-61	-175.1	168.7	-177.2	0	118.7
27	P	61.6	Low	40.8	Very low	129 Å²	129	125.1 Å²	125.1	84%	0.838	80%	0.802	S	S	*	*			cis	-117.8	-146.3	0.3	42.6	-26.6	0	0	0	113.5
28	A	39.3	Very low	41.7	Very low	90 Å²	90	126 Å²	126	74%	0.744	81%	0.806	S	S	*	*			cis	-163.5	-179.9	-0.4	0	0	0	0	0	113.2
29	A	44.5	Very low	42.9	Very low	111 Å²	111	123.7 Å²	123.7	92%	0.917	80%	0.801	S	S	*	*			trans	69.4	169.5	162.7	0	0	0	0	0	119.8
30	G	34.6	Very low	42.8	Very low	66 Å²	66	116.2 Å²	116.2	68%	0.68	79%	0.794	S	S	*	*			cis	-177.2	160.1	-4.8	0	0	0	0	0	113.8
31	V	40.1	Very low	42.8	Very low	145 Å²	145	119 Å²	119	88%	0.879	80%	0.803	S	S	*	*			trans	-170.8	-178.6	-169.5	-111.4	0	0	0	0	112.7
32	P	56.3	Low	43.5	Very low	108 Å²	108	115.2 Å²	115.2	70%	0.701	80%	0.796	S	S	*	*			cis	-143.4	-174.1	-22.7	38.5	-17.6	0	0	0	118.1
33	S	35.6	Very low	43.5	Very low	112 Å²	112	114.4 Å²	114.4	78%	0.783	80%	0.797	S	S	*	*			trans	100.1	161.5	142.1	88.2	0	0	0	0	122.7
34	P	58.7	Low	42.9	Very low	117 Å²	117	113.4 Å²	113.4	76%	0.76	80%	0.797	S	S	*	*				-126.6	-146.1	-115.5	37.8	-12.8	0	0	0	114.1
35	P	52.7	Low	42.5	Very low	107 Å²	107	113.7 Å²	113.7	70%	0.695	80%	0.799	S	S	*	*			cis	-142.5	-173.9	-8.3	44.5	-23.4	0	0	0	119.2
36	T	37.4	Very low	42.3	Very low	128 Å²	128	116 Å²	116	79%	0.785	80%	0.804	S	S	*	*			trans	34.8	136.1	155.5	49	0	0	0	0	125
37	P	42.7	Very low	42.3	Very low	125 Å²	125	112 Å²	112	81%	0.812	80%	0.8	S	S	*	*				-153.7	-177.2	93.1	41.6	-22.8	0	0	0	118
38	P	50.2	Low	40.9	Very low	118 Å²	118	114.9 Å²	114.9	77%	0.766	80%	0.802	S	S	*	*			trans	-119.6	-160.7	179.9	39.6	-23.6	0	0	0	114.8
39	P	58.8	Low	40.4	Very low	123 Å²	123	120 Å²	120	80%	0.799	81%	0.81	S	S	*	*				-130.3	170	-60.8	39.4	-23.9	0	0	0	115.5
40	A	31.2	Very low	40.1	Very low	96 Å²	96	120.9 Å²	120.9	79%	0.793	81%	0.805	S	S	*	*			trans	-172.4	169.4	156.1	0	0	0	0	0	114.9
41	S	32.2	Very low	39.9	Very low	118 Å²	118	123.7 Å²	123.7	83%	0.825	81%	0.811	S	S	*	*			trans	-156.9	178.1	175.2	-61.2	0	0	0	0	109.1
42	P	51.9	Low	39.4	Very low	126 Å²	126	121.3 Å²	121.3	82%	0.818	81%	0.807	S	S	*	*			cis	-139	-149.3	7.8	45.5	-25	0	0	0	114.7
43	A	30.9	Very low	38.3	Very low	107 Å²	107	125.7 Å²	125.7	88%	0.884	82%	0.817	S	S	*	*			trans	81.5	144.1	176.1	0	0	0	0	0	116.5
44	G	28.8	Very low	38	Very low	77 Å²	77	123.8 Å²	123.8	79%	0.794	82%	0.815	S	S	*	*			cis	-150.6	174.2	-0.9	0	0	0	0	0	111.9
45	A	32.4	Very low	36.7	Very low	109 Å²	109	125.5 Å²	125.5	90%	0.901	82%	0.818	S	S	*	*			trans	-89.1	146.5	-163	0	0	0	0	0	116.2
46	S	30.2	Very low	35.6	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	82%	0.816	S	S	*	*			trans	-152.5	135	153.2	45.8	0	0	0	0	110.3
47	P	37.6	Very low	35.4	Very low	125 Å²	125	125.4 Å²	125.4	81%	0.812	81%	0.809	S	S	*	*			trans	-95.2	-178.8	-176.3	38.3	-36.4	0	0	0	114.1
48	E	32.7	Very low	35.2	Very low	190 Å²	190	130.8 Å²	130.8	89%	0.888	81%	0.813	S	S	*	*			trans	-32.4	138.9	177.7	-57.3	169.8	101.6	0	0	118.1
49	E	29.8	Very low	34.4	Very low	196 Å²	196	133 Å²	133	92%	0.916	82%	0.819	S	S	*	*				-155	150.1	126.6	-127	177.3	-156.4	0	0	112
50	T	37.8	Very low	33.6	Very low	131 Å²	131	131.2 Å²	131.2	80%	0.804	81%	0.809	S	S	*	*			trans	-94.5	128.8	-172.3	53.7	0	0	0	0	113.3	A52	T50-A52 PolarHBondContact O-N 3.2Å
51	P	30.1	Very low	34.4	Very low	125 Å²	125	129.4 Å²	129.4	81%	0.812	80%	0.799	S	S	*	*			trans	-78.6	103	171.2	30.9	-32.4	0	0	0	111	Q53	P51-Q53 PolarHBondContact O-N 2.96Å
52	A	30.1	Very low	35.9	Very low	95 Å²	95	125.2 Å²	125.2	79%	0.785	77%	0.769	S	S	*	*			trans	-63.9	131.9	170.7	0	0	0	0	0	110.9	T50 G54	T50-A52 PolarHBondContact O-N 3.2Å; A52-G54 PolarHBondContact O-N 3.48Å
53	Q	31.7	Very low	36.6	Very low	199 Å²	199	125.5 Å²	125.5	93%	0.93	76%	0.757	S	S	*	*			trans	-73.8	91.1	175	-73	-175.2	-17.1	0	0	110.5	P51 D55	P51-Q53 PolarHBondContact O-N 2.96Å; Q53-D55 PolarHBondContact O-N 3.12Å
54	G	29.7	Very low	37.8	Very low	72 Å²	72	127.1 Å²	127.1	74%	0.742	74%	0.744	S	S	*	*			trans	-68	113.3	171.1	0	0	0	0	0	111.1	A52 G56	A52-G54 PolarHBondContact O-N 3.48Å; G54-G56 PolarHBondContact O-N 3.17Å
55	D	31.6	Very low	39.5	Very low	154 Å²	154	126.9 Å²	126.9	82%	0.824	72%	0.722	S	S	*	*			trans	-68	101.2	176.8	-170.9	1.2	0	0	0	110.2	Q53 R57	Q53-D55 PolarHBondContact O-N 3.12Å; D55-R57 PolarHBondContact O-N 3.22Å
56	G	29.4	Very low	40.4	Very low	62 Å²	62	128.2 Å²	128.2	64%	0.639	71%	0.71	S	S	*	*			trans	-74.5	59.8	-170.3	0	0	0	0	0	113.9	G54 R58	G54-G56 PolarHBondContact O-N 3.17Å; G56-R58 VanDerWaalsContact C-N 3.31Å; G56-R58 PolarHBondContact O-N 2.87Å
57	R	34.6	Very low	41.3	Very low	171 Å²	171	130.3 Å²	130.3	65%	0.645	71%	0.706	S	S	*	*			trans	-62	87.2	176.6	-163.6	174.7	-160.5	-173.6	6.6	110.2	D55 N59 D342	D55-R57 PolarHBondContact O-N 3.22Å; R57-N59 PolarHBondContact O-N 3.37Å; R57-D342 IonicContact CZ-OD1 3.82Å; R57-D342 IonicContact CZ-OD2 2.68Å; R57-D342 VanDerWaalsContact CZ-OD2 3.26Å; R57-D342 IonicContact NH1-OD2 2.76Å; R57-D342 PolarHBondContact NH1-OD2 3.37Å; R57-D342 IonicContact NH2-OD1 3.83Å; R57-D342 PolarHBondContact NH2-OD1 3.36Å; R57-D342 IonicContact NH2-OD2 3.26Å; R57-D342 PolarHBondContact NH2-OD2 3.11Å
58	R	37.8	Very low	41.8	Very low	237 Å²	237	134.2 Å²	134.2	89%	0.894	71%	0.711	S	S	*	*			trans	-56.3	103.4	-177.1	-69.2	-177	-179.2	173.9	0.5	110.6	G56 S60	G56-R58 VanDerWaalsContact C-N 3.31Å; G56-R58 PolarHBondContact O-N 2.87Å; R58-S60 PolarHBondContact O-N 3.28Å
59	N	33.7	Very low	42.8	Very low	165 Å²	165	132.1 Å²	132.1	88%	0.882	70%	0.701	S	S	*	*			trans	-64.5	101.5	171.1	-113.8	-1.5	0	0	0	109	R57 G61	R57-N59 PolarHBondContact O-N 3.37Å; N59-G61 PolarHBondContact O-N 3.48Å
60	S	42.3	Very low	44.6	Very low	86 Å²	86	126.6 Å²	126.6	60%	0.601	68%	0.677	S	S	*	*			trans	-77.3	62.9	177.7	62.1	0	0	0	0	110.6	R58	R58-S60 PolarHBondContact O-N 3.28Å
61	G	46.4	Very low	46.6	Very low	57 Å²	57	121.7 Å²	121.7	59%	0.588	65%	0.646	S	S	*	*			trans	-60.4	143.1	176.9	0	0	0	0	0	111.5	N59 K63	N59-G61 PolarHBondContact O-N 3.48Å; G61-K63 PolarHBondContact O-N 3Å
62	V	64.2	Low	48.9	Very low	30 Å²	30	122.7 Å²	122.7	18%	0.182	64%	0.638	C	S	.	*			trans	-56.8	122.3	179	174	0	0	0	0	109.9	K64 I138 V141	V62-K64 PolarHBondContact O-N 3.46Å; V62-K64 VanDerWaalsContact O-N 3.11Å; V62-I138 HydrophobicContact CG1-CG2 3.67Å; V62-I138 HydrophobicContact CG2-CB 4.33Å; V62-I138 HydrophobicContact CG2-CG2 3.99Å; V62-V141 HydrophobicContact CG1-CB 4.46Å; V62-V141 HydrophobicContact CG1-CG2 3.93Å
63	K	66.4	Low	51.6	Low	133 Å²	133	124.7 Å²	124.7	58%	0.578	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72	108	-176.1	-62.6	179.7	-178.2	174.3	0	110.4	G61 H65 V141	G61-K63 PolarHBondContact O-N 3Å; K63-H65 WeakPolarHBondContact CB-NE2 3.46Å; K63-H65 PolarHBondContact O-N 3.2Å; K63-V141 PolarHBondContact O-N 2.57Å
64	K	55.9	Low	54.4	Low	140 Å²	140	119 Å²	119	61%	0.609	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.1	101.6	172	-67.6	-175.2	179.9	179.6	0	110	V62 V141	V62-K64 PolarHBondContact O-N 3.46Å; V62-K64 VanDerWaalsContact O-N 3.11Å; K64-V141 WeakPolarHBondContact CA-O 3.23Å
65	H	64.4	Low	57.5	Low	72 Å²	72	115.7 Å²	115.7	33%	0.333	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	112.3	-178.4	-75.2	-76.4	0	0	0	111.7	K63 E140 V141 F142	K63-H65 WeakPolarHBondContact CB-NE2 3.46Å; K63-H65 PolarHBondContact O-N 3.2Å; H65-E140 IonicContact NE2-OE1 3.91Å; H65-V141 PolarHBondContact N-O 3.09Å; H65-F142 HydrophobicContact CB-CD1 3.61Å; H65-F142 HydrophobicContact CB-CE1 3.72Å
66	H	51.8	Low	60.5	Low	138 Å²	138	112.2 Å²	112.2	64%	0.639	54%	0.544	S	S	*	.			trans	-88	4.7	-177.1	-71.8	93.1	0	0	0	114.9
67	H	48.3	Very low	63.6	Low	158 Å²	158	112.6 Å²	112.6	73%	0.731	53%	0.531	S	S	*	.	S	Bend	trans	-129.7	159.3	-168.4	-82.3	-0.3	0	0	0	115	H69	H67-H69 PolarHBondContact O-N 2.81Å
68	K	49.7	Very low	66.6	Low	208 Å²	208	106.9 Å²	106.9	90%	0.904	51%	0.514	S	S	*	.			trans	-72.3	29.4	-156.5	-155.1	-179.1	-178.5	-178.2	0	115.4	N70	K68-N70 PolarHBondContact O-N 2.78Å
69	H	52.4	Low	69.3	Low	146 Å²	146	100 Å²	100	68%	0.676	49%	0.492	S	S	*	.			trans	-60.1	109.7	169.4	-81.7	-81.2	0	0	0	108.7	H67 L71	H67-H69 PolarHBondContact O-N 2.81Å; H69-L71 PolarHBondContact O-N 2.87Å; H69-L71 VanDerWaalsContact O-N 3.07Å
70	N	68.9	Low	72.3	Confident	80 Å²	80	95.2 Å²	95.2	43%	0.428	47%	0.468	S	S	.	.			trans	-61.5	114.9	-170.8	-152.6	-6.7	0	0	0	108.6	K68 K72 H73	K68-N70 PolarHBondContact O-N 2.78Å; N70-K72 PolarHBondContact O-N 2.92Å; N70-H73 WeakPolarHBondContact CB-CD2 3.35Å; N70-H73 PolarHBondContact ND2-NE2 3.22Å; N70-H73 WeakPolarHBondContact O-CB 3.47Å; N70-H73 PolarHBondContact O-N 2.92Å
71	L	78.7	Confident	74.7	Confident	27 Å²	27	94.8 Å²	94.8	14%	0.141	46%	0.459	C	S	.	.	H	α-helix	trans	-51.8	-33.7	-176.6	-166.3	79.2	0	0	0	111.7	H69 H73 R74 Y75 I103 F142 V149	H69-L71 PolarHBondContact O-N 2.87Å; H69-L71 VanDerWaalsContact O-N 3.07Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 2.95Å; L71-R74 PolarHBondContact O-N 3.11Å; L71-Y75 HydrophobicContact CD1-CD2 3.74Å; L71-Y75 HydrophobicContact CD1-CE2 4.2Å; L71-Y75 HydrophobicContact CG-CD2 4.13Å; L71-Y75 PolarHBondContact O-N 3.34Å; L71-I103 HydrophobicContact CD2-CG2 4.3Å; L71-F142 HydrophobicContact CD1-CD2 4.14Å; L71-F142 HydrophobicContact CD1-CE2 4.16Å; L71-V149 HydrophobicContact CD1-CG1 4.17Å; L71-V149 HydrophobicContact CD2-CG1 3.88Å
72	K	79.7	Confident	76.8	Confident	147 Å²	147	93.4 Å²	93.4	64%	0.639	44%	0.444	S	S	*	.	H	α-helix	trans	-60.1	-28.6	175.1	-59.8	-177.7	177.4	-175.6	0	115.1	N70 R95	N70-K72 PolarHBondContact O-N 2.92Å; K72-R95 PolarHBondContact O-NE 3.09Å
73	H	85.8	Confident	78	Confident	137 Å²	137	102.7 Å²	102.7	63%	0.634	48%	0.476	S	S	*	.	H	α-helix	trans	-82.2	-23.2	178.1	-62	-37.5	0	0	0	112.4	N70 L71 R95	N70-H73 WeakPolarHBondContact CB-CD2 3.35Å; N70-H73 PolarHBondContact ND2-NE2 3.22Å; N70-H73 WeakPolarHBondContact O-CB 3.47Å; N70-H73 PolarHBondContact O-N 2.92Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 2.95Å; H73-R95 WeakPolarHBondContact O-CD 3.43Å
74	R	90.1	Very high	78.7	Confident	79 Å²	79	98.6 Å²	98.6	30%	0.298	47%	0.472	S	S	.	.	H	α-helix	trans	-96.6	-33	174.3	-79.4	-167.2	61.4	-166.4	-11.2	113.6	L71 E94 R95 E140	L71-R74 PolarHBondContact O-N 3.11Å; R74-E94 IonicContact NH2-OE1 3.48Å; R74-E94 PolarHBondContact NH2-OE1 3.18Å; R74-R95 PolarHBondContact O-N 2.82Å; R74-E140 IonicContact CZ-OE1 3.89Å; R74-E140 IonicContact CZ-OE2 2.7Å; R74-E140 IonicContact NH1-OE1 2.75Å; R74-E140 PolarHBondContact NH1-OE1 3.48Å; R74-E140 IonicContact NH1-OE2 2.73Å; R74-E140 PolarHBondContact NH1-OE2 2.97Å; R74-E140 VanDerWaalsContact NH2-CD 3.32Å; R74-E140 IonicContact NH2-OE1 3.56Å; R74-E140 PolarHBondContact NH2-OE1 3.38Å; R74-E140 IonicContact NH2-OE2 4Å; R74-E140 PolarHBondContact NH2-OE2 3.43Å
75	Y	94.6	Very high	80	Confident	2 Å²	2	97 Å²	97	1%	0.008	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.2	-172.9	-62.5	-77.2	0	0	0	111.6	L71 I93 E94 V101 I103 E140 V151	L71-Y75 HydrophobicContact CD1-CD2 3.74Å; L71-Y75 HydrophobicContact CD1-CE2 4.2Å; L71-Y75 HydrophobicContact CG-CD2 4.13Å; L71-Y75 PolarHBondContact O-N 3.34Å; Y75-I93 CarbonylContact C-O 3.6Å; Y75-I93 WeakPolarHBondContact CA-O 3.46Å; Y75-E94 HydrophobicContact CD1-CB 3.96Å; Y75-E94 HydrophobicContact CD1-CG 4.35Å; Y75-E94 HydrophobicContact CE1-CB 3.61Å; Y75-E94 HydrophobicContact CE1-CG 3.74Å; Y75-E94 PolarHBondContact OH-OE1 2.9Å; Y75-V101 HydrophobicContact CD1-CG2 3.78Å; Y75-V101 HydrophobicContact CE1-CG2 3.82Å; Y75-I103 HydrophobicContact CD1-CD1 4.06Å; Y75-I103 HydrophobicContact CD2-CD1 4.24Å; Y75-I103 HydrophobicContact CG-CD1 3.79Å; Y75-E140 PolarHBondContact OH-OE2 3.12Å; Y75-E140 VanDerWaalsContact OH-OE2 3.08Å; Y75-V151 HydrophobicContact CE1-CG1 4.05Å; Y75-V151 HydrophobicContact CE2-CG2 4.13Å
76	E	95.3	Very high	81	Confident	81 Å²	81	96.4 Å²	96.4	38%	0.379	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.6	165.8	-171.8	154.1	117.4	0	0	109.4	L78 A92 I93 R95	E76-L78 HydrophobicContact CG-CD2 4.19Å; E76-A92 CarbonylContact O-C 3.56Å; E76-A92 WeakPolarHBondContact O-CA 3.37Å; E76-A92 WeakPolarHBondContact O-CB 3.4Å; E76-I93 PolarHBondContact N-O 3.44Å; E76-I93 PolarHBondContact O-N 3.03Å; E76-R95 IonicContact OE2-CZ 3.78Å; E76-R95 IonicContact OE2-NH1 2.75Å; E76-R95 PolarHBondContact OE2-NH1 3.48Å; E76-R95 IonicContact OE2-NH2 3.33Å; E76-R95 PolarHBondContact OE2-NH2 3.45Å
77	L	95.1	Very high	82.9	Confident	70 Å²	70	90.9 Å²	90.9	37%	0.366	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.9	-174.8	-62.9	-178.1	0	0	0	111.6	K90 A92 I103	L77-K90 HydrophobicContact CB-CD 4.37Å; L77-A92 HydrophobicContact CD2-CB 3.94Å; L77-I103 HydrophobicContact CD2-CD1 3.83Å
78	L	96.1	Very high	85	Confident	52 Å²	52	87.6 Å²	87.6	27%	0.272	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-140.1	-177.6	-54	-179.3	0	0	0	112	E76 K90 K91 I93	E76-L78 HydrophobicContact CG-CD2 4.19Å; L78-K90 PolarHBondContact O-NZ 3.12Å; L78-K91 HydrophobicContact CB-CB 4.26Å; L78-K91 HydrophobicContact CD1-CD 4.18Å; L78-K91 HydrophobicContact CD1-CG 4.26Å; L78-K91 PolarHBondContact N-O 2.82Å; L78-I93 HydrophobicContact CD1-CD1 3.9Å; L78-I93 HydrophobicContact CD1-CG1 3.93Å
79	E	96	Very high	87.2	Confident	93 Å²	93	79.3 Å²	79.3	44%	0.435	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	167.9	-178.5	72.5	-81.3	-169.2	0	0	114.1	L81 K90 K91	E79-L81 HydrophobicContact CG-CD2 4.41Å; E79-K90 VanDerWaalsContact O-CA 3.29Å; E79-K90 WeakPolarHBondContact O-CA 3.44Å; E79-K90 WeakPolarHBondContact O-CB 3.48Å; E79-K90 WeakPolarHBondContact O-CG 3.5Å; E79-K91 HydrophobicContact CG-CB 4.4Å; E79-K91 PolarHBondContact O-N 2.89Å; E79-K91 WeakPolarHBondContact OE1-CD 3.32Å
80	T	96.6	Very high	89.3	Confident	64 Å²	64	74.1 Å²	74.1	39%	0.393	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.5	175.4	-54.6	0	0	0	0	108.6	G82 R83 K88 V89	T80-G82 WeakPolarHBondContact CG2-O 3.29Å; T80-R83 HydrophobicContact CG2-CG 4.4Å; T80-K88 HydrophobicContact CG2-CB 4.24Å; T80-V89 CarbonylContact C-O 3.58Å; T80-V89 WeakPolarHBondContact CG2-O 3.34Å
81	L	92.8	Very high	90.6	Very high	76 Å²	76	71.5 Å²	71.5	40%	0.398	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-34.1	-179.7	-62.5	171.6	0	0	0	111.7	E79 V89 K91 A102 Y154	E79-L81 HydrophobicContact CG-CD2 4.41Å; L81-V89 HydrophobicContact CB-CG1 4.32Å; L81-V89 HydrophobicContact CD1-CG1 4.31Å; L81-V89 PolarHBondContact N-O 2.68Å; L81-K91 HydrophobicContact CD1-CB 4.03Å; L81-K91 HydrophobicContact CD2-CB 4.18Å; L81-K91 HydrophobicContact CG-CB 4.06Å; L81-A102 HydrophobicContact CD1-CB 4.35Å; L81-Y154 HydrophobicContact CD1-CD2 3.72Å; L81-Y154 HydrophobicContact CD1-CE2 3.57Å; L81-Y154 HydrophobicContact CD2-CE2 3.82Å; L81-Y154 HydrophobicContact CG-CE2 4.36Å
82	G	89.8	Confident	91.5	Very high	28 Å²	28	70.2 Å²	70.2	29%	0.289	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	166.5	-179.3	0	0	0	0	0	114.1	T80 K88 V89	T80-G82 WeakPolarHBondContact CG2-O 3.29Å; G82-K88 WeakPolarHBondContact O-CA 3.38Å; G82-V89 PolarHBondContact N-O 3.06Å; G82-V89 PolarHBondContact O-N 2.96Å
83	R	89.7	Confident	92.3	Very high	225 Å²	225	65.7 Å²	65.7	85%	0.849	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	130	173	-61	-176.8	-174.9	-169.2	3.8	108.2	T80	T80-R83 HydrophobicContact CG2-CG 4.4Å
84	G	81.3	Confident	92.8	Very high	48 Å²	48	60 Å²	60	50%	0.495	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	173.1	176	0	0	0	0	0	110.8	Y86 G87	G84-Y86 VanDerWaalsContact C-N 3.34Å; G84-Y86 PolarHBondContact O-N 3.4Å; G84-Y86 VanDerWaalsContact O-N 3.17Å; G84-G87 PolarHBondContact N-O 2.82Å; G84-G87 PolarHBondContact O-N 3.04Å
85	T	83.1	Confident	93	Very high	105 Å²	105	62.7 Å²	62.7	64%	0.644	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.3	-57	-174.3	-45.1	0	0	0	0	113.2	K110	T85-K110 PolarHBondContact O-NZ 3.08Å
86	Y	86.1	Confident	92.8	Very high	61 Å²	61	71.5 Å²	71.5	24%	0.239	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.8	-173.8	-40.2	-76.8	0	0	0	114.3	G84 R107 I111 D116 I120	G84-Y86 VanDerWaalsContact C-N 3.34Å; G84-Y86 PolarHBondContact O-N 3.4Å; G84-Y86 VanDerWaalsContact O-N 3.17Å; Y86-R107 PolarHBondContact O-N 3.09Å; Y86-I111 HydrophobicContact CD1-CG1 4.25Å; Y86-D116 HydrophobicContact CE1-CB 4.23Å; Y86-D116 VanDerWaalsContact CE1-CG 3.46Å; Y86-D116 VanDerWaalsContact CE1-OD1 3.28Å; Y86-D116 WeakPolarHBondContact CE1-OD1 3.26Å; Y86-D116 WeakPolarHBondContact CE1-OD2 3.37Å; Y86-D116 VanDerWaalsContact CZ-OD1 3.28Å; Y86-D116 PolarHBondContact OH-OD1 3.28Å; Y86-I120 HydrophobicContact CD1-CD1 4.35Å; Y86-I120 HydrophobicContact CD2-CD1 4.08Å; Y86-I120 HydrophobicContact CE2-CD1 4.32Å; Y86-I120 HydrophobicContact CG-CD1 4.09Å
87	G	89.8	Confident	92.7	Very high	21 Å²	21	70.9 Å²	70.9	22%	0.216	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	-162.8	-161.3	0	0	0	0	0	118.2	G84 S105	G84-G87 PolarHBondContact N-O 2.82Å; G84-G87 PolarHBondContact O-N 3.04Å; G87-S105 CarbonylContact C-O 3.54Å; G87-S105 WeakPolarHBondContact CA-O 3.19Å
88	K	94	Very high	92.6	Very high	90 Å²	90	70 Å²	70	39%	0.391	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.6	176.8	64.8	-176.5	177.8	-175.3	0	111.9	T80 G82 S105	T80-K88 HydrophobicContact CG2-CB 4.24Å; G82-K88 WeakPolarHBondContact O-CA 3.38Å; K88-S105 PolarHBondContact N-O 3.02Å; K88-S105 PolarHBondContact O-N 3.46Å
89	V	94.9	Very high	92.6	Very high	34 Å²	34	72 Å²	72	21%	0.206	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.3	171.8	-171.9	0	0	0	0	108.3	T80 L81 G82 A102 I103 K104 M152	T80-V89 CarbonylContact C-O 3.58Å; T80-V89 WeakPolarHBondContact CG2-O 3.34Å; L81-V89 HydrophobicContact CB-CG1 4.32Å; L81-V89 HydrophobicContact CD1-CG1 4.31Å; L81-V89 PolarHBondContact N-O 2.68Å; G82-V89 PolarHBondContact N-O 3.06Å; G82-V89 PolarHBondContact O-N 2.96Å; V89-A102 HydrophobicContact CG1-CB 4.23Å; V89-I103 WeakPolarHBondContact CA-O 3.28Å; V89-K104 HydrophobicContact CG2-CB 4.14Å; V89-K104 HydrophobicContact CG2-CG 4.23Å; V89-M152 HydrophobicContact CG1-CE 3.81Å
90	K	96.4	Very high	92.6	Very high	37 Å²	37	71.3 Å²	71.3	16%	0.161	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.5	174.9	-83.9	177	143	-87.4	0	110.7	L77 L78 E79 A102 I103	L77-K90 HydrophobicContact CB-CD 4.37Å; L78-K90 PolarHBondContact O-NZ 3.12Å; E79-K90 VanDerWaalsContact O-CA 3.29Å; E79-K90 WeakPolarHBondContact O-CA 3.44Å; E79-K90 WeakPolarHBondContact O-CB 3.48Å; E79-K90 WeakPolarHBondContact O-CG 3.5Å; K90-A102 WeakPolarHBondContact O-CA 3.23Å; K90-I103 PolarHBondContact N-O 2.92Å; K90-I103 PolarHBondContact O-N 3.13Å
91	K	97.3	Very high	92.6	Very high	25 Å²	25	68.2 Å²	68.2	11%	0.109	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	147.1	160.8	-170.3	178.9	-180	175	0	108.6	L78 E79 L81 E100 Y154	L78-K91 HydrophobicContact CB-CB 4.26Å; L78-K91 HydrophobicContact CD1-CD 4.18Å; L78-K91 HydrophobicContact CD1-CG 4.26Å; L78-K91 PolarHBondContact N-O 2.82Å; E79-K91 HydrophobicContact CG-CB 4.4Å; E79-K91 PolarHBondContact O-N 2.89Å; E79-K91 WeakPolarHBondContact OE1-CD 3.32Å; L81-K91 HydrophobicContact CD1-CB 4.03Å; L81-K91 HydrophobicContact CD2-CB 4.18Å; L81-K91 HydrophobicContact CG-CB 4.06Å; K91-E100 WeakPolarHBondContact CE-OE1 3.13Å; K91-E100 WeakPolarHBondContact CE-OE2 3.29Å; K91-E100 IonicContact NZ-OE1 3.57Å; K91-E100 PolarHBondContact NZ-OE1 3.09Å; K91-E100 IonicContact NZ-OE2 3.46Å; K91-E100 PolarHBondContact NZ-OE2 2.76Å; K91-Y154 HydrophobicContact CD-CE1 3.92Å; K91-Y154 HydrophobicContact CD-CE2 4.39Å; K91-Y154 HydrophobicContact CG-CE1 4.35Å; K91-Y154 HydrophobicContact CG-CE2 4.41Å
92	A	97.3	Very high	92.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	159.5	173.8	0	0	0	0	0	112	E76 L77 E100 V101 I103	E76-A92 CarbonylContact O-C 3.56Å; E76-A92 WeakPolarHBondContact O-CA 3.37Å; E76-A92 WeakPolarHBondContact O-CB 3.4Å; L77-A92 HydrophobicContact CD2-CB 3.94Å; A92-E100 CarbonylContact O-C 3.14Å; A92-E100 WeakPolarHBondContact O-CA 3.49Å; A92-V101 HydrophobicContact CB-CG2 3.94Å; A92-V101 PolarHBondContact N-O 2.83Å; A92-V101 PolarHBondContact O-N 2.82Å; A92-I103 HydrophobicContact CB-CD1 3.56Å; A92-I103 HydrophobicContact CB-CG1 4Å
93	I	96.9	Very high	93.2	Very high	51 Å²	51	63.6 Å²	63.6	26%	0.262	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.3	170.3	-64.9	170.4	0	0	0	108.8	Y75 E76 L78 R95 E100	Y75-I93 CarbonylContact C-O 3.6Å; Y75-I93 WeakPolarHBondContact CA-O 3.46Å; E76-I93 PolarHBondContact N-O 3.44Å; E76-I93 PolarHBondContact O-N 3.03Å; L78-I93 HydrophobicContact CD1-CD1 3.9Å; L78-I93 HydrophobicContact CD1-CG1 3.93Å; I93-R95 PolarHBondContact O-N 3.02Å; I93-E100 HydrophobicContact CG1-CG 4.48Å
94	E	95.3	Very high	93.4	Very high	19 Å²	19	54.6 Å²	54.6	9%	0.089	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	110.8	171.6	-176	165.2	-123.9	0	0	110.3	R74 Y75 H96 S97 G98 R99	R74-E94 IonicContact NH2-OE1 3.48Å; R74-E94 PolarHBondContact NH2-OE1 3.18Å; Y75-E94 HydrophobicContact CD1-CB 3.96Å; Y75-E94 HydrophobicContact CD1-CG 4.35Å; Y75-E94 HydrophobicContact CE1-CB 3.61Å; Y75-E94 HydrophobicContact CE1-CG 3.74Å; Y75-E94 PolarHBondContact OH-OE1 2.9Å; E94-H96 PolarHBondContact O-N 3Å; E94-S97 WeakPolarHBondContact CB-OG 3.37Å; E94-S97 WeakPolarHBondContact CG-OG 3.21Å; E94-S97 PolarHBondContact O-N 3.48Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact OE2-OG 3.39Å; E94-G98 PolarHBondContact O-N 3.24Å; E94-R99 PolarHBondContact N-O 2.9Å; E94-R99 IonicContact OE1-NH2 2.76Å; E94-R99 IonicContact OE2-CZ 2.83Å; E94-R99 IonicContact OE2-NE 2.76Å; E94-R99 PolarHBondContact OE2-NE 2.72Å; E94-R99 IonicContact OE2-NH2 3.12Å; E94-R99 PolarHBondContact OE2-NH2 2.79Å
95	R	93.7	Very high	94	Very high	134 Å²	134	53.5 Å²	53.5	51%	0.506	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.5	-167.3	-68.4	-167.1	177.4	-71.3	-3.8	115.3	K72 H73 R74 E76 I93	K72-R95 PolarHBondContact O-NE 3.09Å; H73-R95 WeakPolarHBondContact O-CD 3.43Å; R74-R95 PolarHBondContact O-N 2.82Å; E76-R95 IonicContact OE2-CZ 3.78Å; E76-R95 IonicContact OE2-NH1 2.75Å; E76-R95 PolarHBondContact OE2-NH1 3.48Å; E76-R95 IonicContact OE2-NH2 3.33Å; E76-R95 PolarHBondContact OE2-NH2 3.45Å; I93-R95 PolarHBondContact O-N 3.02Å
96	H	90.6	Very high	94.6	Very high	188 Å²	188	48.7 Å²	48.7	87%	0.87	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-25.6	-177.2	-173.3	59.5	0	0	0	113.5	E94	E94-H96 PolarHBondContact O-N 3Å
97	S	93.4	Very high	94.9	Very high	68 Å²	68	51.8 Å²	51.8	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-12.2	-175.3	61.7	0	0	0	0	113.7	E94 R99	E94-S97 WeakPolarHBondContact CB-OG 3.37Å; E94-S97 WeakPolarHBondContact CG-OG 3.21Å; E94-S97 PolarHBondContact O-N 3.48Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact OE2-OG 3.39Å; S97-R99 PolarHBondContact O-N 2.87Å; S97-R99 WeakPolarHBondContact OG-CB 3.5Å; S97-R99 PolarHBondContact OG-N 3.44Å
98	G	94.2	Very high	95.1	Very high	52 Å²	52	53.3 Å²	53.3	54%	0.536	26%	0.258	S	S	.	.			trans	70.9	-1.9	-172.4	0	0	0	0	0	114.3	E94	E94-G98 PolarHBondContact O-N 3.24Å
99	R	94.6	Very high	95.1	Very high	92 Å²	92	55.4 Å²	55.4	35%	0.347	27%	0.27	S	S	.	.			trans	-70.5	131.7	-173.3	177	172.9	56.1	149.1	-0.4	112	E94 S97 V101 Y139	E94-R99 PolarHBondContact N-O 2.9Å; E94-R99 IonicContact OE1-NH2 2.76Å; E94-R99 IonicContact OE2-CZ 2.83Å; E94-R99 IonicContact OE2-NE 2.76Å; E94-R99 PolarHBondContact OE2-NE 2.72Å; E94-R99 IonicContact OE2-NH2 3.12Å; E94-R99 PolarHBondContact OE2-NH2 2.79Å; S97-R99 PolarHBondContact O-N 2.87Å; S97-R99 WeakPolarHBondContact OG-CB 3.5Å; S97-R99 PolarHBondContact OG-N 3.44Å; R99-V101 HydrophobicContact CG-CG1 4.16Å; R99-Y139 VanDerWaalsContact NH1-CE2 3.29Å; R99-Y139 VanDerWaalsContact NH1-CZ 3.29Å
100	E	97.3	Very high	94.9	Very high	79 Å²	79	58.8 Å²	58.8	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.1	169	-54.7	-159.4	139.4	0	0	111	K91 A92 I93 Y154	K91-E100 WeakPolarHBondContact CE-OE1 3.13Å; K91-E100 WeakPolarHBondContact CE-OE2 3.29Å; K91-E100 IonicContact NZ-OE1 3.57Å; K91-E100 PolarHBondContact NZ-OE1 3.09Å; K91-E100 IonicContact NZ-OE2 3.46Å; K91-E100 PolarHBondContact NZ-OE2 2.76Å; A92-E100 CarbonylContact O-C 3.14Å; A92-E100 WeakPolarHBondContact O-CA 3.49Å; I93-E100 HydrophobicContact CG1-CG 4.48Å; E100-Y154 HydrophobicContact CB-CD1 3.9Å; E100-Y154 WeakPolarHBondContact OE2-CD1 3.49Å; E100-Y154 VanDerWaalsContact OE2-CE1 3.22Å; E100-Y154 WeakPolarHBondContact OE2-CE1 3.25Å
101	V	97.1	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155	-179.6	-58.4	0	0	0	0	110.8	Y75 A92 R99 I103 Y139 V151	Y75-V101 HydrophobicContact CD1-CG2 3.78Å; Y75-V101 HydrophobicContact CE1-CG2 3.82Å; A92-V101 HydrophobicContact CB-CG2 3.94Å; A92-V101 PolarHBondContact N-O 2.83Å; A92-V101 PolarHBondContact O-N 2.82Å; R99-V101 HydrophobicContact CG-CG1 4.16Å; V101-I103 HydrophobicContact CG2-CD1 4.18Å; V101-I103 HydrophobicContact CG2-CG1 4.04Å; V101-Y139 HydrophobicContact CG1-CD2 4.1Å; V101-Y139 HydrophobicContact CG1-CE2 3.97Å; V101-V151 HydrophobicContact CB-CG1 4.05Å; V101-V151 HydrophobicContact CG1-CG1 4.37Å; V101-V151 HydrophobicContact CG2-CG1 3.91Å
102	A	97.3	Very high	94.1	Very high	5 Å²	5	65.6 Å²	65.6	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.1	168.5	0	0	0	0	0	109.7	L81 V89 K90 M152	L81-A102 HydrophobicContact CD1-CB 4.35Å; V89-A102 HydrophobicContact CG1-CB 4.23Å; K90-A102 WeakPolarHBondContact O-CA 3.23Å; A102-M152 HydrophobicContact CB-CE 3.72Å; A102-M152 HydrophobicContact CB-CG 3.83Å; A102-M152 PolarHBondContact N-O 3.49Å; A102-M152 PolarHBondContact O-N 3.01Å
103	I	96.1	Very high	93.7	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	103.2	-178.4	-58.7	-169.9	0	0	0	110.1	L71 Y75 L77 V89 K90 A92 V101 V149 I150 V151	L71-I103 HydrophobicContact CD2-CG2 4.3Å; Y75-I103 HydrophobicContact CD1-CD1 4.06Å; Y75-I103 HydrophobicContact CD2-CD1 4.24Å; Y75-I103 HydrophobicContact CG-CD1 3.79Å; L77-I103 HydrophobicContact CD2-CD1 3.83Å; V89-I103 WeakPolarHBondContact CA-O 3.28Å; K90-I103 PolarHBondContact N-O 2.92Å; K90-I103 PolarHBondContact O-N 3.13Å; A92-I103 HydrophobicContact CB-CD1 3.56Å; A92-I103 HydrophobicContact CB-CG1 4Å; V101-I103 HydrophobicContact CG2-CD1 4.18Å; V101-I103 HydrophobicContact CG2-CG1 4.04Å; I103-V149 HydrophobicContact CG2-CG1 3.42Å; I103-V149 VanDerWaalsContact CG2-CG1 3.42Å; I103-I150 CarbonylContact C-O 3.53Å; I103-I150 WeakPolarHBondContact CA-O 3.48Å; I103-V151 HydrophobicContact CD1-CG2 4.21Å; I103-V151 HydrophobicContact CG1-CG1 4.34Å; I103-V151 HydrophobicContact CG1-CG2 4.21Å
104	K	95.1	Very high	93.3	Very high	36 Å²	36	73.9 Å²	73.9	16%	0.157	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	108.1	174.3	-179.2	170	172.7	179	0	108.5	V89 I106 E123 V149 I150 M152 D216	V89-K104 HydrophobicContact CG2-CB 4.14Å; V89-K104 HydrophobicContact CG2-CG 4.23Å; K104-I106 HydrophobicContact CG-CG1 4.37Å; K104-E123 IonicContact NZ-OE1 2.7Å; K104-E123 PolarHBondContact NZ-OE1 2.82Å; K104-E123 IonicContact NZ-OE2 3.51Å; K104-E123 PolarHBondContact NZ-OE2 2.98Å; K104-V149 WeakPolarHBondContact O-CA 3.45Å; K104-I150 HydrophobicContact CB-CB 4.33Å; K104-I150 HydrophobicContact CD-CD1 4.3Å; K104-I150 PolarHBondContact N-O 3.17Å; K104-I150 PolarHBondContact O-N 3.28Å; K104-M152 HydrophobicContact CB-CE 3.97Å; K104-M152 HydrophobicContact CB-SD 4.26Å; K104-D216 IonicContact NZ-OD1 3.9Å
105	S	94.6	Very high	93	Very high	26 Å²	26	79.6 Å²	79.6	18%	0.182	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	106.2	179.5	-64.1	0	0	0	0	110.7	G87 K88	G87-S105 CarbonylContact C-O 3.54Å; G87-S105 WeakPolarHBondContact CA-O 3.19Å; K88-S105 PolarHBondContact N-O 3.02Å; K88-S105 PolarHBondContact O-N 3.46Å
106	I	94.4	Very high	92.8	Very high	3 Å²	3	74.1 Å²	74.1	2%	0.015	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.7	178.6	-65.9	171.9	0	0	0	108.5	K104 I111 I120 K147 I148 I150	K104-I106 HydrophobicContact CG-CG1 4.37Å; I106-I111 HydrophobicContact CG2-CD1 4.28Å; I106-I120 HydrophobicContact CD1-CG1 4.43Å; I106-I120 HydrophobicContact CD1-CG2 3.71Å; I106-I120 HydrophobicContact CG2-CD1 4.12Å; I106-K147 CarbonylContact O-C 3.53Å; I106-K147 WeakPolarHBondContact O-CA 3.48Å; I106-K147 WeakPolarHBondContact O-CB 3.33Å; I106-I148 HydrophobicContact CB-CB 4.35Å; I106-I148 PolarHBondContact N-O 3.17Å; I106-I148 PolarHBondContact O-N 3.38Å; I106-I150 HydrophobicContact CD1-CD1 4.25Å
107	R	93.6	Very high	92.8	Very high	126 Å²	126	66.1 Å²	66.1	48%	0.475	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.5	175.4	-67.1	168.9	165.5	-114.4	8.5	109.5	Y86 E109 K110	Y86-R107 PolarHBondContact O-N 3.09Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 HydrophobicContact CB-CG 4Å; R107-E109 WeakPolarHBondContact CD-OE1 3.42Å; R107-E109 IonicContact CZ-OE1 2.82Å; R107-E109 IonicContact NE-OE1 2.64Å; R107-E109 IonicContact NH1-OE1 2.85Å; R107-E109 PolarHBondContact NH1-OE1 2.62Å; R107-E109 IonicContact NH1-OE2 2.68Å; R107-E109 PolarHBondContact O-N 3.19Å; R107-K110 HydrophobicContact CB-CB 4.41Å; R107-K110 HydrophobicContact CB-CD 4.23Å; R107-K110 HydrophobicContact CB-CG 4.29Å; R107-K110 PolarHBondContact O-N 2.97Å
108	K	93.9	Very high	92.7	Very high	53 Å²	53	66 Å²	66	23%	0.23	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-68.9	-31.4	180	-74.3	177.8	166.2	-177	0	112.6	K110 I111 E143 N144 K145 D146	K108-K110 PolarHBondContact O-N 3.25Å; K108-I111 HydrophobicContact CG-CD1 4.3Å; K108-I111 WeakPolarHBondContact O-CB 3.38Å; K108-I111 PolarHBondContact O-N 2.76Å; K108-I111 VanDerWaalsContact O-N 3.15Å; K108-E143 WeakPolarHBondContact CE-OE1 3.46Å; K108-E143 IonicContact NZ-OE1 2.69Å; K108-E143 PolarHBondContact NZ-OE1 3.48Å; K108-N144 WeakPolarHBondContact CE-O 3.36Å; K108-N144 PolarHBondContact NZ-O 3.16Å; K108-K145 VanDerWaalsContact CD-O 3.32Å; K108-K145 WeakPolarHBondContact CD-O 3.33Å; K108-D146 PolarHBondContact N-O 3.43Å
109	E	93.1	Very high	92.6	Very high	135 Å²	135	67.5 Å²	67.5	63%	0.631	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59.9	-12.7	172.1	80	-158.7	-160.5	0	0	114.7	R107	R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 HydrophobicContact CB-CG 4Å; R107-E109 WeakPolarHBondContact CD-OE1 3.42Å; R107-E109 IonicContact CZ-OE1 2.82Å; R107-E109 IonicContact NE-OE1 2.64Å; R107-E109 IonicContact NH1-OE1 2.85Å; R107-E109 PolarHBondContact NH1-OE1 2.62Å; R107-E109 IonicContact NH1-OE2 2.68Å; R107-E109 PolarHBondContact O-N 3.19Å
110	K	90.2	Very high	92.4	Very high	104 Å²	104	63.3 Å²	63.3	45%	0.452	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-102.3	-1.8	-179.2	-79.3	-178.2	131.5	-76.1	0	113.6	T85 R107 K108	T85-K110 PolarHBondContact O-NZ 3.08Å; R107-K110 HydrophobicContact CB-CB 4.41Å; R107-K110 HydrophobicContact CB-CD 4.23Å; R107-K110 HydrophobicContact CB-CG 4.29Å; R107-K110 PolarHBondContact O-N 2.97Å; K108-K110 PolarHBondContact O-N 3.25Å
111	I	90.4	Very high	92.2	Very high	28 Å²	28	65 Å²	65	14%	0.144	30%	0.3	C	S	.	.			trans	-89.8	127.1	178.5	-60.8	178.6	0	0	0	106.1	Y86 I106 K108 D113 D116 M117 I120	Y86-I111 HydrophobicContact CD1-CG1 4.25Å; I106-I111 HydrophobicContact CG2-CD1 4.28Å; K108-I111 HydrophobicContact CG-CD1 4.3Å; K108-I111 WeakPolarHBondContact O-CB 3.38Å; K108-I111 PolarHBondContact O-N 2.76Å; K108-I111 VanDerWaalsContact O-N 3.15Å; I111-D113 VanDerWaalsContact CG2-O 3.29Å; I111-D113 WeakPolarHBondContact CG2-O 3.33Å; I111-D116 HydrophobicContact CB-CB 4.48Å; I111-D116 HydrophobicContact CG2-CB 3.44Å; I111-D116 VanDerWaalsContact CG2-CB 3.44Å; I111-M117 HydrophobicContact CD1-CE 3.68Å; I111-M117 HydrophobicContact CD1-CG 3.85Å; I111-M117 HydrophobicContact CD1-SD 3.68Å; I111-M117 HydrophobicContact CG2-CG 3.61Å; I111-I120 HydrophobicContact CD1-CD1 3.82Å; I111-I120 HydrophobicContact CG1-CD1 4.13Å
112	K	86.1	Confident	92.1	Very high	178 Å²	178	68.4 Å²	68.4	77%	0.774	31%	0.312	S	S	*	.			trans	-86.4	-35.9	-173.1	-68.6	-175.5	176.3	-175.1	0	112.9	D116	K112-D116 PolarHBondContact N-OD2 3.47Å
113	D	88.9	Confident	91.9	Very high	77 Å²	77	68.8 Å²	68.8	41%	0.412	31%	0.313	S	S	.	.	S	Bend	trans	-145	178.5	-169.2	58.1	66	0	0	0	111.7	I111 Q115 D116	I111-D113 VanDerWaalsContact CG2-O 3.29Å; I111-D113 WeakPolarHBondContact CG2-O 3.33Å; D113-Q115 VanDerWaalsContact OD1-CA 3.3Å; D113-Q115 WeakPolarHBondContact OD1-CA 3.46Å; D113-Q115 VanDerWaalsContact OD1-CB 3.28Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.5Å; D113-Q115 PolarHBondContact OD1-N 2.87Å; D113-D116 PolarHBondContact OD1-N 2.8Å
114	E	89.8	Confident	91.8	Very high	148 Å²	148	69.2 Å²	69.2	69%	0.692	32%	0.316	S	S	*	.	H	α-helix	trans	-77	-21.3	178.5	-172.8	157.8	-139.7	0	0	113.1	M117 V118	E114-M117 WeakPolarHBondContact O-CB 3.27Å; E114-M117 PolarHBondContact O-N 3.18Å; E114-M117 VanDerWaalsContact O-N 3.15Å; E114-V118 WeakPolarHBondContact O-CG2 3.27Å; E114-V118 PolarHBondContact O-N 3.2Å
115	Q	88.4	Confident	91.8	Very high	139 Å²	139	73.8 Å²	73.8	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-70.7	-43.2	178.6	-54.3	-171.4	6	0	0	110.9	D113 M117 V118 H119	D113-Q115 VanDerWaalsContact OD1-CA 3.3Å; D113-Q115 WeakPolarHBondContact OD1-CA 3.46Å; D113-Q115 VanDerWaalsContact OD1-CB 3.28Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.5Å; D113-Q115 PolarHBondContact OD1-N 2.87Å; Q115-M117 PolarHBondContact O-N 3.21Å; Q115-V118 PolarHBondContact O-N 3.14Å; Q115-V118 VanDerWaalsContact O-N 3.12Å; Q115-H119 VanDerWaalsContact O-CG 3.26Å; Q115-H119 PolarHBondContact O-N 2.89Å; Q115-H119 PolarHBondContact O-ND1 3.47Å
116	D	90	Very high	91.8	Very high	19 Å²	19	72.8 Å²	72.8	10%	0.102	33%	0.33	C	S	.	.	H	α-helix	trans	-46.5	-46	165.6	-87.6	-24.8	0	0	0	110.8	Y86 I111 K112 D113 H119 I120	Y86-D116 HydrophobicContact CE1-CB 4.23Å; Y86-D116 VanDerWaalsContact CE1-CG 3.46Å; Y86-D116 VanDerWaalsContact CE1-OD1 3.28Å; Y86-D116 WeakPolarHBondContact CE1-OD1 3.26Å; Y86-D116 WeakPolarHBondContact CE1-OD2 3.37Å; Y86-D116 VanDerWaalsContact CZ-OD1 3.28Å; Y86-D116 PolarHBondContact OH-OD1 3.28Å; I111-D116 HydrophobicContact CB-CB 4.48Å; I111-D116 HydrophobicContact CG2-CB 3.44Å; I111-D116 VanDerWaalsContact CG2-CB 3.44Å; K112-D116 PolarHBondContact N-OD2 3.47Å; D113-D116 PolarHBondContact OD1-N 2.8Å; D116-H119 PolarHBondContact O-N 3.47Å; D116-I120 WeakPolarHBondContact O-CB 3.34Å; D116-I120 WeakPolarHBondContact O-CD1 3.5Å; D116-I120 VanDerWaalsContact O-CG1 3.27Å; D116-I120 WeakPolarHBondContact O-CG1 3.43Å; D116-I120 PolarHBondContact O-N 3.43Å
117	M	91	Very high	91.7	Very high	20 Å²	20	73 Å²	73	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-71.7	-35.3	-179.4	-86.1	-88.4	62.5	0	0	113.8	I111 E114 Q115 I120 R121 I148	I111-M117 HydrophobicContact CD1-CE 3.68Å; I111-M117 HydrophobicContact CD1-CG 3.85Å; I111-M117 HydrophobicContact CD1-SD 3.68Å; I111-M117 HydrophobicContact CG2-CG 3.61Å; E114-M117 WeakPolarHBondContact O-CB 3.27Å; E114-M117 PolarHBondContact O-N 3.18Å; E114-M117 VanDerWaalsContact O-N 3.15Å; Q115-M117 PolarHBondContact O-N 3.21Å; M117-I120 HydrophobicContact CE-CB 3.85Å; M117-I120 HydrophobicContact CE-CD1 4.19Å; M117-I120 HydrophobicContact CE-CG2 3.77Å; M117-R121 WeakPolarHBondContact O-CB 3.42Å; M117-R121 VanDerWaalsContact O-CG 3.29Å; M117-R121 WeakPolarHBondContact O-CG 3.27Å; M117-R121 PolarHBondContact O-N 2.95Å; M117-I148 HydrophobicContact CE-CD1 3.72Å
118	V	91.3	Very high	91.7	Very high	65 Å²	65	69 Å²	69	39%	0.394	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-42.6	171.4	170.6	0	0	0	0	110.5	E114 Q115 R121 R122	E114-V118 WeakPolarHBondContact O-CG2 3.27Å; E114-V118 PolarHBondContact O-N 3.2Å; Q115-V118 PolarHBondContact O-N 3.14Å; Q115-V118 VanDerWaalsContact O-N 3.12Å; V118-R121 PolarHBondContact O-N 3.12Å; V118-R122 WeakPolarHBondContact O-CB 3.45Å; V118-R122 PolarHBondContact O-N 3.4Å
119	H	90.4	Very high	91.6	Very high	83 Å²	83	69.9 Å²	69.9	38%	0.384	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-48	176.4	-64.6	136.1	0	0	0	112.1	Q115 D116 R121 R122 E123	Q115-H119 VanDerWaalsContact O-CG 3.26Å; Q115-H119 PolarHBondContact O-N 2.89Å; Q115-H119 PolarHBondContact O-ND1 3.47Å; D116-H119 PolarHBondContact O-N 3.47Å; H119-R121 VanDerWaalsContact C-N 3.32Å; H119-R121 PolarHBondContact O-N 3.27Å; H119-R122 PolarHBondContact O-N 3.22Å; H119-R122 VanDerWaalsContact O-N 3.15Å; H119-E123 PolarHBondContact O-N 3.07Å
120	I	92.3	Very high	91.6	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-38.4	177.6	-71	161.6	0	0	0	111.7	Y86 I106 I111 D116 M117 I124 I148	Y86-I120 HydrophobicContact CD1-CD1 4.35Å; Y86-I120 HydrophobicContact CD2-CD1 4.08Å; Y86-I120 HydrophobicContact CE2-CD1 4.32Å; Y86-I120 HydrophobicContact CG-CD1 4.09Å; I106-I120 HydrophobicContact CD1-CG1 4.43Å; I106-I120 HydrophobicContact CD1-CG2 3.71Å; I106-I120 HydrophobicContact CG2-CD1 4.12Å; I111-I120 HydrophobicContact CD1-CD1 3.82Å; I111-I120 HydrophobicContact CG1-CD1 4.13Å; D116-I120 WeakPolarHBondContact O-CB 3.34Å; D116-I120 WeakPolarHBondContact O-CD1 3.5Å; D116-I120 VanDerWaalsContact O-CG1 3.27Å; D116-I120 WeakPolarHBondContact O-CG1 3.43Å; D116-I120 PolarHBondContact O-N 3.43Å; M117-I120 HydrophobicContact CE-CB 3.85Å; M117-I120 HydrophobicContact CE-CD1 4.19Å; M117-I120 HydrophobicContact CE-CG2 3.77Å; I120-I124 HydrophobicContact CG2-CD1 4.18Å; I120-I124 WeakPolarHBondContact O-CD1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.15Å; I120-I124 PolarHBondContact O-N 3.25Å; I120-I148 HydrophobicContact CG2-CD1 4.21Å
121	R	93.2	Very high	91.7	Very high	114 Å²	114	68 Å²	68	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-69	-38.2	175.2	-74.3	174.7	-180	134.5	1.9	112.1	M117 V118 H119 I124 E125 E143	M117-R121 WeakPolarHBondContact O-CB 3.42Å; M117-R121 VanDerWaalsContact O-CG 3.29Å; M117-R121 WeakPolarHBondContact O-CG 3.27Å; M117-R121 PolarHBondContact O-N 2.95Å; V118-R121 PolarHBondContact O-N 3.12Å; H119-R121 VanDerWaalsContact C-N 3.32Å; H119-R121 PolarHBondContact O-N 3.27Å; R121-I124 PolarHBondContact O-N 2.81Å; R121-E125 WeakPolarHBondContact O-CB 3.3Å; R121-E125 PolarHBondContact O-N 2.85Å; R121-E143 IonicContact NH2-OE1 3.11Å
122	R	93.6	Very high	92	Very high	71 Å²	71	67.3 Å²	67.3	27%	0.268	32%	0.316	S	S	.	.	H	α-helix	trans	-66.7	-40.7	175.4	-169.5	-179.3	-58.4	154.9	12.9	112.3	V118 H119 I124 E125 I126 N221	V118-R122 WeakPolarHBondContact O-CB 3.45Å; V118-R122 PolarHBondContact O-N 3.4Å; H119-R122 PolarHBondContact O-N 3.22Å; H119-R122 VanDerWaalsContact O-N 3.15Å; R122-I124 VanDerWaalsContact C-N 3.34Å; R122-I124 PolarHBondContact O-N 2.88Å; R122-E125 PolarHBondContact O-N 2.88Å; R122-I126 HydrophobicContact CG-CD1 3.8Å; R122-I126 HydrophobicContact CG-CG1 4.3Å; R122-I126 WeakPolarHBondContact O-CB 3.07Å; R122-I126 WeakPolarHBondContact O-CG1 3.45Å; R122-I126 PolarHBondContact O-N 3.37Å; R122-N221 VanDerWaalsContact CD-OD1 3.27Å; R122-N221 WeakPolarHBondContact CD-OD1 3.42Å; R122-N221 PolarHBondContact NH1-OD1 3.25Å
123	E	93.8	Very high	92.5	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-54.7	-51.7	172.4	-173.5	-157.2	140	0	0	110.1	K104 H119 E125 I126 M127 F217	K104-E123 IonicContact NZ-OE1 2.7Å; K104-E123 PolarHBondContact NZ-OE1 2.82Å; K104-E123 IonicContact NZ-OE2 3.51Å; K104-E123 PolarHBondContact NZ-OE2 2.98Å; H119-E123 PolarHBondContact O-N 3.07Å; E123-E125 VanDerWaalsContact C-N 3.35Å; E123-E125 PolarHBondContact O-N 3.15Å; E123-I126 PolarHBondContact O-N 3.44Å; E123-M127 HydrophobicContact CG-SD 4.12Å; E123-M127 WeakPolarHBondContact O-CB 3.42Å; E123-M127 WeakPolarHBondContact O-CG 3.29Å; E123-M127 PolarHBondContact O-N 3.03Å; E123-F217 HydrophobicContact CG-CB 4.34Å
124	I	93.8	Very high	92.9	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-42.2	179.4	-69.2	164.6	0	0	0	111.4	I120 R121 R122 S128 V141 I148 I150	I120-I124 HydrophobicContact CG2-CD1 4.18Å; I120-I124 WeakPolarHBondContact O-CD1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.15Å; I120-I124 PolarHBondContact O-N 3.25Å; R121-I124 PolarHBondContact O-N 2.81Å; R122-I124 VanDerWaalsContact C-N 3.34Å; R122-I124 PolarHBondContact O-N 2.88Å; I124-S128 WeakPolarHBondContact O-CB 3.4Å; I124-S128 PolarHBondContact O-N 2.82Å; I124-S128 PolarHBondContact O-OG 3.03Å; I124-V141 HydrophobicContact CD1-CG1 4.41Å; I124-V141 HydrophobicContact CG2-CG2 3.96Å; I124-I148 HydrophobicContact CD1-CG2 3.9Å; I124-I150 HydrophobicContact CD1-CD1 3.97Å; I124-I150 HydrophobicContact CD1-CG1 4.15Å; I124-I150 HydrophobicContact CG1-CD1 3.61Å; I124-I150 HydrophobicContact CG1-CG1 4.05Å
125	E	94.3	Very high	93.3	Very high	133 Å²	133	52 Å²	52	62%	0.621	25%	0.249	S	C	*	.	H	α-helix	trans	-66	-48.8	179.8	-177.5	165	-139.3	0	0	112.1	R121 R122 E123 S128 S129	R121-E125 WeakPolarHBondContact O-CB 3.3Å; R121-E125 PolarHBondContact O-N 2.85Å; R122-E125 PolarHBondContact O-N 2.88Å; E123-E125 VanDerWaalsContact C-N 3.35Å; E123-E125 PolarHBondContact O-N 3.15Å; E125-S128 PolarHBondContact O-N 2.92Å; E125-S128 VanDerWaalsContact O-N 3.16Å; E125-S129 PolarHBondContact O-N 2.85Å; E125-S129 VanDerWaalsContact O-N 3.09Å
126	I	94.3	Very high	93.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-49.6	176.3	-72.6	174.8	0	0	0	110.8	R122 E123 S128 S129 L130 V194 F217 L222	R122-I126 HydrophobicContact CG-CD1 3.8Å; R122-I126 HydrophobicContact CG-CG1 4.3Å; R122-I126 WeakPolarHBondContact O-CB 3.07Å; R122-I126 WeakPolarHBondContact O-CG1 3.45Å; R122-I126 PolarHBondContact O-N 3.37Å; E123-I126 PolarHBondContact O-N 3.44Å; I126-S128 PolarHBondContact O-N 2.85Å; I126-S129 PolarHBondContact O-N 3.41Å; I126-S129 PolarHBondContact O-OG 3.24Å; I126-L130 HydrophobicContact CG2-CD1 3.75Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CG 3.21Å; I126-L130 PolarHBondContact O-N 2.92Å; I126-L130 VanDerWaalsContact O-N 3.16Å; I126-V194 HydrophobicContact CD1-CG1 4.37Å; I126-V194 HydrophobicContact CG1-CG2 4.34Å; I126-V194 HydrophobicContact CG2-CB 4.48Å; I126-V194 HydrophobicContact CG2-CG1 3.63Å; I126-V194 HydrophobicContact CG2-CG2 3.99Å; I126-F217 HydrophobicContact CG2-CB 4.41Å; I126-F217 HydrophobicContact CG2-CD1 3.7Å; I126-F217 HydrophobicContact CG2-CE1 4.39Å; I126-F217 HydrophobicContact CG2-CG 4.33Å; I126-L222 HydrophobicContact CG1-CD2 4.37Å
127	M	93.8	Very high	93.9	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.039	23%	0.227	C	C	.	.	H	α-helix	trans	-70.5	-14.3	178.5	-68.8	-171.8	71.5	0	0	113.8	E123 I136 I138 F217	E123-M127 HydrophobicContact CG-SD 4.12Å; E123-M127 WeakPolarHBondContact O-CB 3.42Å; E123-M127 WeakPolarHBondContact O-CG 3.29Å; E123-M127 PolarHBondContact O-N 3.03Å; M127-I136 HydrophobicContact CE-CB 4.35Å; M127-I136 HydrophobicContact CE-CG2 4.13Å; M127-I138 HydrophobicContact CB-CD1 3.38Å; M127-I138 HydrophobicContact CB-CG1 3.91Å; M127-I138 HydrophobicContact CE-CG1 4.29Å; M127-I138 HydrophobicContact CG-CD1 4.46Å; M127-I138 HydrophobicContact SD-CD1 4.43Å; M127-F217 HydrophobicContact CE-CD2 4.17Å; M127-F217 HydrophobicContact CG-CB 3.71Å; M127-F217 HydrophobicContact CG-CD2 3.61Å; M127-F217 HydrophobicContact CG-CE2 4.44Å; M127-F217 HydrophobicContact CG-CG 3.73Å; M127-F217 HydrophobicContact SD-CB 4.06Å; M127-F217 HydrophobicContact SD-CD2 3.86Å; M127-F217 HydrophobicContact SD-CG 4.32Å
128	S	92.6	Very high	94.1	Very high	41 Å²	41	46.1 Å²	46.1	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-88.7	-19.7	172.6	-61.4	0	0	0	0	113.5	I124 E125 I126	I124-S128 WeakPolarHBondContact O-CB 3.4Å; I124-S128 PolarHBondContact O-N 2.82Å; I124-S128 PolarHBondContact O-OG 3.03Å; E125-S128 PolarHBondContact O-N 2.92Å; E125-S128 VanDerWaalsContact O-N 3.16Å; I126-S128 PolarHBondContact O-N 2.85Å
129	S	92.2	Very high	94.2	Very high	72 Å²	72	46.1 Å²	46.1	50%	0.503	22%	0.219	S	C	.	.	H	α-helix	trans	-92.3	-32.5	178.5	66.6	0	0	0	0	112.8	E125 I126	E125-S129 PolarHBondContact O-N 2.85Å; E125-S129 VanDerWaalsContact O-N 3.09Å; I126-S129 PolarHBondContact O-N 3.41Å; I126-S129 PolarHBondContact O-OG 3.24Å
130	L	93.1	Very high	94.3	Very high	9 Å²	9	43 Å²	43	5%	0.047	20%	0.204	C	C	.	.			trans	-75.8	127.6	179.1	-63.9	171.2	0	0	0	111.7	I126 I135 N192 V194 F217	I126-L130 HydrophobicContact CG2-CD1 3.75Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CG 3.21Å; I126-L130 PolarHBondContact O-N 2.92Å; I126-L130 VanDerWaalsContact O-N 3.16Å; L130-I135 HydrophobicContact CB-CD1 4.3Å; L130-I135 HydrophobicContact CD1-CD1 4.37Å; L130-N192 HydrophobicContact CD2-CB 3.92Å; L130-V194 HydrophobicContact CD1-CG1 4.32Å; L130-V194 HydrophobicContact CD1-CG2 4.49Å; L130-V194 HydrophobicContact CD2-CG2 4.29Å; L130-F217 HydrophobicContact CD1-CD1 4.01Å; L130-F217 HydrophobicContact CD1-CE1 3.37Å; L130-F217 HydrophobicContact CD1-CZ 3.87Å
131	R	93.4	Very high	94.3	Very high	192 Å²	192	43.1 Å²	43.1	73%	0.725	21%	0.205	S	C	*	.			trans	-136.5	84.9	178.6	-170.2	-178.9	177.7	174	0.4	111.5	H188	R131-H188 PolarHBondContact N-NE2 3.21Å
132	H	95.6	Very high	94.2	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.056	19%	0.19	C	C	.	.			trans	-132.7	142.1	-176.1	-176.5	-94.9	0	0	0	110.6	H134 I135 S184 A185 H188	H132-H134 AromaticContact CE1-CD2 3.72Å; H132-H134 PolarHBondContact ND1-N 2.85Å; H132-H134 VanDerWaalsContact ND1-N 3.17Å; H132-H134 PolarHBondContact O-N 3.15Å; H132-H134 VanDerWaalsContact O-N 3.07Å; H132-I135 HydrophobicContact CB-CB 4.33Å; H132-I135 HydrophobicContact CB-CD1 3.8Å; H132-I135 HydrophobicContact CB-CG1 3.97Å; H132-I135 PolarHBondContact O-N 2.91Å; H132-I135 VanDerWaalsContact O-N 3.13Å; H132-S184 VanDerWaalsContact CE1-C 3.44Å; H132-S184 PolarHBondContact CE1-OG 3.06Å; H132-S184 PolarHBondContact NE2-O 2.9Å; H132-S184 PolarHBondContact NE2-OG 2.58Å; H132-A185 VanDerWaalsContact CE1-CA 3.42Å; H132-A185 WeakPolarHBondContact CE1-CA 3.28Å; H132-A185 PolarHBondContact CE1-N 2.89Å; H132-A185 VanDerWaalsContact CE1-N 3.27Å; H132-H188 HydrophobicContact CB-CB 4.3Å; H132-H188 AromaticContact CD2-CG 3.78Å; H132-H188 AromaticContact CD2-ND1 3.87Å
133	P	96.3	Very high	94.1	Very high	51 Å²	51	38.3 Å²	38.3	33%	0.331	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.5	-176.8	22.5	-35	0	0	0	114.4	K213	P133-K213 WeakPolarHBondContact O-CE 3.18Å; P133-K213 PolarHBondContact O-NZ 3.44Å
134	H	97.7	Very high	93.9	Very high	27 Å²	27	40.9 Å²	40.9	13%	0.125	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	23.5	-178.9	-55.4	-59	0	0	0	114.2	H132 Q181 A185 I212 I214	H132-H134 AromaticContact CE1-CD2 3.72Å; H132-H134 PolarHBondContact ND1-N 2.85Å; H132-H134 VanDerWaalsContact ND1-N 3.17Å; H132-H134 PolarHBondContact O-N 3.15Å; H132-H134 VanDerWaalsContact O-N 3.07Å; H134-Q181 HydrophobicContact CB-CB 4.45Å; H134-Q181 PolarHBondContact CE1-NE2 2.64Å; H134-Q181 VanDerWaalsContact CE1-NE2 3.29Å; H134-A185 HydrophobicContact CB-CB 4.14Å; H134-I212 VanDerWaalsContact CA-O 3.25Å; H134-I212 WeakPolarHBondContact CA-O 3.35Å; H134-I212 HydrophobicContact CB-CG2 4.29Å; H134-I212 WeakPolarHBondContact CB-O 3.48Å; H134-I212 PolarHBondContact ND1-O 2.82Å; H134-I214 PolarHBondContact O-N 3.38Å
135	I	97.6	Very high	93.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-123.4	139.7	171.6	-62.7	179	0	0	0	108.1	L130 H132 S137 A185 F217	L130-I135 HydrophobicContact CB-CD1 4.3Å; L130-I135 HydrophobicContact CD1-CD1 4.37Å; H132-I135 HydrophobicContact CB-CB 4.33Å; H132-I135 HydrophobicContact CB-CD1 3.8Å; H132-I135 HydrophobicContact CB-CG1 3.97Å; H132-I135 PolarHBondContact O-N 2.91Å; H132-I135 VanDerWaalsContact O-N 3.13Å; I135-S137 PolarHBondContact O-N 3.15Å; I135-S137 VanDerWaalsContact O-N 3.16Å; I135-A185 HydrophobicContact CD1-CB 4.21Å; I135-A185 HydrophobicContact CG1-CB 3.74Å; I135-F217 HydrophobicContact CD1-CZ 4.31Å; I135-F217 HydrophobicContact CG2-CE2 3.75Å; I135-F217 HydrophobicContact CG2-CZ 3.76Å
136	I	96.6	Very high	93.6	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	24%	0.236	C	C	.	.			trans	-61.5	114.5	173.7	-70.5	-66.4	0	0	0	109.7	M127 M152 E153 A155 L205 K213 I214 A215	M127-I136 HydrophobicContact CE-CB 4.35Å; M127-I136 HydrophobicContact CE-CG2 4.13Å; I136-M152 HydrophobicContact CG2-CB 4Å; I136-M152 HydrophobicContact CG2-CG 4.06Å; I136-M152 HydrophobicContact CG2-SD 4.41Å; I136-E153 HydrophobicContact CD1-CB 4.26Å; I136-E153 HydrophobicContact CD1-CG 4.47Å; I136-E153 HydrophobicContact CG2-CB 4.3Å; I136-A155 HydrophobicContact CD1-CB 4.19Å; I136-L205 HydrophobicContact CD1-CD1 4.49Å; I136-K213 HydrophobicContact CD1-CB 3.71Å; I136-K213 HydrophobicContact CD1-CD 4.46Å; I136-K213 HydrophobicContact CD1-CG 4.16Å; I136-K213 HydrophobicContact CG1-CB 4.08Å; I136-I214 PolarHBondContact N-O 2.92Å; I136-A215 HydrophobicContact CG1-CB 3.89Å
137	S	95.1	Very high	93.5	Very high	34 Å²	34	51.4 Å²	51.4	24%	0.238	25%	0.252	C	S	.	.			trans	-78.9	132.3	179.6	-61.7	0	0	0	0	112	I135 M152 E153	I135-S137 PolarHBondContact O-N 3.15Å; I135-S137 VanDerWaalsContact O-N 3.16Å; S137-M152 CarbonylContact O-C 3.59Å; S137-M152 VanDerWaalsContact O-CA 3.28Å; S137-M152 WeakPolarHBondContact O-CA 3.5Å; S137-M152 WeakPolarHBondContact O-CB 3.48Å; S137-E153 PolarHBondContact N-OE2 3.07Å; S137-E153 PolarHBondContact O-N 3.41Å
138	I	94.4	Very high	93.6	Very high	14 Å²	14	51 Å²	51	7%	0.072	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.9	163.4	-66.8	-178.5	0	0	0	109.3	V62 M127 V141 I150 M152	V62-I138 HydrophobicContact CG1-CG2 3.67Å; V62-I138 HydrophobicContact CG2-CB 4.33Å; V62-I138 HydrophobicContact CG2-CG2 3.99Å; M127-I138 HydrophobicContact CB-CD1 3.38Å; M127-I138 HydrophobicContact CB-CG1 3.91Å; M127-I138 HydrophobicContact CE-CG1 4.29Å; M127-I138 HydrophobicContact CG-CD1 4.46Å; M127-I138 HydrophobicContact SD-CD1 4.43Å; I138-V141 HydrophobicContact CG2-CG2 3.93Å; I138-I150 HydrophobicContact CD1-CG2 3.69Å; I138-I150 HydrophobicContact CG1-CG2 3.83Å; I138-I150 HydrophobicContact CG2-CG2 4.08Å; I138-M152 HydrophobicContact CG1-CB 4.44Å
139	Y	93.4	Very high	93.6	Very high	65 Å²	65	49.4 Å²	49.4	26%	0.255	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-48.9	174.5	-57.5	-40.8	0	0	0	112	R99 V101 V151 E153	R99-Y139 VanDerWaalsContact NH1-CE2 3.29Å; R99-Y139 VanDerWaalsContact NH1-CZ 3.29Å; V101-Y139 HydrophobicContact CG1-CD2 4.1Å; V101-Y139 HydrophobicContact CG1-CE2 3.97Å; Y139-V151 HydrophobicContact CD2-CG1 4.4Å; Y139-V151 PolarHBondContact N-O 3.47Å; Y139-E153 HydrophobicContact CE2-CB 4.4Å
140	E	92.2	Very high	93.8	Very high	17 Å²	17	46 Å²	46	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	152.3	-175.4	-67.2	-176.3	141.3	0	0	111.5	H65 R74 Y75 F142 V151	H65-E140 IonicContact NE2-OE1 3.91Å; R74-E140 IonicContact CZ-OE1 3.89Å; R74-E140 IonicContact CZ-OE2 2.7Å; R74-E140 IonicContact NH1-OE1 2.75Å; R74-E140 PolarHBondContact NH1-OE1 3.48Å; R74-E140 IonicContact NH1-OE2 2.73Å; R74-E140 PolarHBondContact NH1-OE2 2.97Å; R74-E140 VanDerWaalsContact NH2-CD 3.32Å; R74-E140 IonicContact NH2-OE1 3.56Å; R74-E140 PolarHBondContact NH2-OE1 3.38Å; R74-E140 IonicContact NH2-OE2 4Å; R74-E140 PolarHBondContact NH2-OE2 3.43Å; Y75-E140 PolarHBondContact OH-OE2 3.12Å; Y75-E140 VanDerWaalsContact OH-OE2 3.08Å; E140-F142 HydrophobicContact CB-CE2 3.78Å; E140-F142 HydrophobicContact CB-CZ 4.14Å; E140-F142 WeakPolarHBondContact OE2-CZ 3.45Å; E140-V151 HydrophobicContact CB-CB 4.41Å; E140-V151 PolarHBondContact N-O 3.05Å; E140-V151 PolarHBondContact O-N 3.21Å
141	V	93.5	Very high	93.9	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.8	173.5	179.3	0	0	0	0	110	V62 K63 K64 H65 I124 I138 I148 V149 I150	V62-V141 HydrophobicContact CG1-CB 4.46Å; V62-V141 HydrophobicContact CG1-CG2 3.93Å; K63-V141 PolarHBondContact O-N 2.57Å; K64-V141 WeakPolarHBondContact CA-O 3.23Å; H65-V141 PolarHBondContact N-O 3.09Å; I124-V141 HydrophobicContact CD1-CG1 4.41Å; I124-V141 HydrophobicContact CG2-CG2 3.96Å; I138-V141 HydrophobicContact CG2-CG2 3.93Å; V141-I148 HydrophobicContact CG1-CG2 4.06Å; V141-V149 WeakPolarHBondContact CA-O 3.37Å; V141-I150 HydrophobicContact CG2-CG1 4.37Å; V141-I150 HydrophobicContact CG2-CG2 4.33Å
142	F	91.7	Very high	94	Very high	25 Å²	25	37.6 Å²	37.6	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.8	176.9	-54.7	-93.9	0	0	0	109.2	H65 L71 E140 V149 V151	H65-F142 HydrophobicContact CB-CD1 3.61Å; H65-F142 HydrophobicContact CB-CE1 3.72Å; L71-F142 HydrophobicContact CD1-CD2 4.14Å; L71-F142 HydrophobicContact CD1-CE2 4.16Å; E140-F142 HydrophobicContact CB-CE2 3.78Å; E140-F142 HydrophobicContact CB-CZ 4.14Å; E140-F142 WeakPolarHBondContact OE2-CZ 3.45Å; F142-V149 HydrophobicContact CB-CB 4.34Å; F142-V149 PolarHBondContact N-O 3.29Å; F142-V149 PolarHBondContact O-N 3.09Å; F142-V151 HydrophobicContact CD2-CG2 4.28Å; F142-V151 HydrophobicContact CE2-CG2 3.86Å
143	E	91.6	Very high	94.1	Very high	59 Å²	59	38.9 Å²	38.9	28%	0.276	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.3	176.3	179.7	163.6	-179	0	0	109.7	K108 R121 I148	K108-E143 WeakPolarHBondContact CE-OE1 3.46Å; K108-E143 IonicContact NZ-OE1 2.69Å; K108-E143 PolarHBondContact NZ-OE1 3.48Å; R121-E143 IonicContact NH2-OE1 3.11Å; E143-I148 HydrophobicContact CB-CG1 4.44Å; E143-I148 HydrophobicContact CG-CD1 4.49Å; E143-I148 HydrophobicContact CG-CG1 4.01Å
144	N	89	Confident	94.1	Very high	67 Å²	67	38.6 Å²	38.6	36%	0.358	18%	0.182	S	C	.	.			trans	-134.1	-167.3	169.5	82.3	-17.3	0	0	0	110.3	K108 D146 K147	K108-N144 WeakPolarHBondContact CE-O 3.36Å; K108-N144 PolarHBondContact NZ-O 3.16Å; N144-D146 VanDerWaalsContact C-N 3.31Å; N144-D146 PolarHBondContact ND2-OD2 3.31Å; N144-D146 PolarHBondContact O-N 3.39Å; N144-D146 PolarHBondContact OD1-N 3.41Å; N144-D146 PolarHBondContact OD1-OD2 2.88Å; N144-K147 PolarHBondContact N-O 2.78Å; N144-K147 WeakPolarHBondContact OD1-CG 3.48Å; N144-K147 PolarHBondContact OD1-N 2.86Å; N144-K147 PolarHBondContact OD1-O 3.17Å
145	K	90.3	Very high	94.1	Very high	194 Å²	194	37.8 Å²	37.8	84%	0.843	18%	0.18	S	C	*	.	S	Bend	trans	-64.6	-32.6	-179.8	-66.8	-167.7	175.3	-169.5	0	113.5	K108	K108-K145 VanDerWaalsContact CD-O 3.32Å; K108-K145 WeakPolarHBondContact CD-O 3.33Å
146	D	91.1	Very high	94	Very high	92 Å²	92	39.8 Å²	39.8	49%	0.492	20%	0.195	S	C	.	.	S	Bend	trans	-105.3	-19.5	-166.8	0.7	-69.5	0	0	0	113.5	K108 N144	K108-D146 PolarHBondContact N-O 3.43Å; N144-D146 VanDerWaalsContact C-N 3.31Å; N144-D146 PolarHBondContact ND2-OD2 3.31Å; N144-D146 PolarHBondContact O-N 3.39Å; N144-D146 PolarHBondContact OD1-N 3.41Å; N144-D146 PolarHBondContact OD1-OD2 2.88Å
147	K	93.2	Very high	93.9	Very high	83 Å²	83	45.2 Å²	45.2	36%	0.361	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	162	-172.7	54.5	176.3	-179.8	-173.5	0	114	I106 N144 V149	I106-K147 CarbonylContact O-C 3.53Å; I106-K147 WeakPolarHBondContact O-CA 3.48Å; I106-K147 WeakPolarHBondContact O-CB 3.33Å; N144-K147 PolarHBondContact N-O 2.78Å; N144-K147 WeakPolarHBondContact OD1-CG 3.48Å; N144-K147 PolarHBondContact OD1-N 2.86Å; N144-K147 PolarHBondContact OD1-O 3.17Å; K147-V149 HydrophobicContact CD-CG2 3.93Å; K147-V149 HydrophobicContact CG-CG2 4.38Å
148	I	94	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139	161.8	-56.5	-176.4	0	0	0	107.8	I106 M117 I120 I124 V141 E143 I150	I106-I148 HydrophobicContact CB-CB 4.35Å; I106-I148 PolarHBondContact N-O 3.17Å; I106-I148 PolarHBondContact O-N 3.38Å; M117-I148 HydrophobicContact CE-CD1 3.72Å; I120-I148 HydrophobicContact CG2-CD1 4.21Å; I124-I148 HydrophobicContact CD1-CG2 3.9Å; V141-I148 HydrophobicContact CG1-CG2 4.06Å; E143-I148 HydrophobicContact CB-CG1 4.44Å; E143-I148 HydrophobicContact CG-CD1 4.49Å; E143-I148 HydrophobicContact CG-CG1 4.01Å; I148-I150 HydrophobicContact CG2-CG1 4.43Å
149	V	94.5	Very high	93.8	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.036	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.3	178.2	-177.7	0	0	0	0	108.8	L71 I103 K104 V141 F142 K147	L71-V149 HydrophobicContact CD1-CG1 4.17Å; L71-V149 HydrophobicContact CD2-CG1 3.88Å; I103-V149 HydrophobicContact CG2-CG1 3.42Å; I103-V149 VanDerWaalsContact CG2-CG1 3.42Å; K104-V149 WeakPolarHBondContact O-CA 3.45Å; V141-V149 WeakPolarHBondContact CA-O 3.37Å; F142-V149 HydrophobicContact CB-CB 4.34Å; F142-V149 PolarHBondContact N-O 3.29Å; F142-V149 PolarHBondContact O-N 3.09Å; K147-V149 HydrophobicContact CD-CG2 3.93Å; K147-V149 HydrophobicContact CG-CG2 4.38Å
150	I	95.3	Very high	93.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.1	176.5	-54.1	163.5	0	0	0	107.3	I103 K104 I106 I124 I138 V141 I148 M152	I103-I150 CarbonylContact C-O 3.53Å; I103-I150 WeakPolarHBondContact CA-O 3.48Å; K104-I150 HydrophobicContact CB-CB 4.33Å; K104-I150 HydrophobicContact CD-CD1 4.3Å; K104-I150 PolarHBondContact N-O 3.17Å; K104-I150 PolarHBondContact O-N 3.28Å; I106-I150 HydrophobicContact CD1-CD1 4.25Å; I124-I150 HydrophobicContact CD1-CD1 3.97Å; I124-I150 HydrophobicContact CD1-CG1 4.15Å; I124-I150 HydrophobicContact CG1-CD1 3.61Å; I124-I150 HydrophobicContact CG1-CG1 4.05Å; I138-I150 HydrophobicContact CD1-CG2 3.69Å; I138-I150 HydrophobicContact CG1-CG2 3.83Å; I138-I150 HydrophobicContact CG2-CG2 4.08Å; V141-I150 HydrophobicContact CG2-CG1 4.37Å; V141-I150 HydrophobicContact CG2-CG2 4.33Å; I148-I150 HydrophobicContact CG2-CG1 4.43Å; I150-M152 HydrophobicContact CG2-SD 4.47Å
151	V	95.5	Very high	93.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.3	171.9	-175.9	0	0	0	0	107.9	Y75 V101 I103 Y139 E140 F142	Y75-V151 HydrophobicContact CE1-CG1 4.05Å; Y75-V151 HydrophobicContact CE2-CG2 4.13Å; V101-V151 HydrophobicContact CB-CG1 4.05Å; V101-V151 HydrophobicContact CG1-CG1 4.37Å; V101-V151 HydrophobicContact CG2-CG1 3.91Å; I103-V151 HydrophobicContact CD1-CG2 4.21Å; I103-V151 HydrophobicContact CG1-CG1 4.34Å; I103-V151 HydrophobicContact CG1-CG2 4.21Å; Y139-V151 HydrophobicContact CD2-CG1 4.4Å; Y139-V151 PolarHBondContact N-O 3.47Å; E140-V151 HydrophobicContact CB-CB 4.41Å; E140-V151 PolarHBondContact N-O 3.05Å; E140-V151 PolarHBondContact O-N 3.21Å; F142-V151 HydrophobicContact CD2-CG2 4.28Å; F142-V151 HydrophobicContact CE2-CG2 3.86Å
152	M	96.4	Very high	93.7	Very high	24 Å²	24	46.9 Å²	46.9	12%	0.118	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	169.8	-170.1	67.1	-156	-178.7	0	0	111.9	V89 A102 K104 I136 S137 I138 I150	V89-M152 HydrophobicContact CG1-CE 3.81Å; A102-M152 HydrophobicContact CB-CE 3.72Å; A102-M152 HydrophobicContact CB-CG 3.83Å; A102-M152 PolarHBondContact N-O 3.49Å; A102-M152 PolarHBondContact O-N 3.01Å; K104-M152 HydrophobicContact CB-CE 3.97Å; K104-M152 HydrophobicContact CB-SD 4.26Å; I136-M152 HydrophobicContact CG2-CB 4Å; I136-M152 HydrophobicContact CG2-CG 4.06Å; I136-M152 HydrophobicContact CG2-SD 4.41Å; S137-M152 CarbonylContact O-C 3.59Å; S137-M152 VanDerWaalsContact O-CA 3.28Å; S137-M152 WeakPolarHBondContact O-CA 3.5Å; S137-M152 WeakPolarHBondContact O-CB 3.48Å; I138-M152 HydrophobicContact CG1-CB 4.44Å; I150-M152 HydrophobicContact CG2-SD 4.47Å
153	E	96.6	Very high	93.6	Very high	39 Å²	39	47.4 Å²	47.4	18%	0.182	24%	0.235	C	C	.	.			trans	-56.3	145.6	175.5	-171	169.6	-147.3	0	0	112.5	I136 S137 Y139 K213	I136-E153 HydrophobicContact CD1-CB 4.26Å; I136-E153 HydrophobicContact CD1-CG 4.47Å; I136-E153 HydrophobicContact CG2-CB 4.3Å; S137-E153 PolarHBondContact N-OE2 3.07Å; S137-E153 PolarHBondContact O-N 3.41Å; Y139-E153 HydrophobicContact CE2-CB 4.4Å; E153-K213 WeakPolarHBondContact OE1-CE 3.32Å; E153-K213 IonicContact OE1-NZ 3.58Å; E153-K213 PolarHBondContact OE1-NZ 3.06Å; E153-K213 WeakPolarHBondContact OE2-CE 3.47Å; E153-K213 IonicContact OE2-NZ 2.71Å; E153-K213 PolarHBondContact OE2-NZ 3.27Å
154	Y	97.3	Very high	93.5	Very high	46 Å²	46	44.8 Å²	44.8	18%	0.18	22%	0.222	C	C	.	.			trans	-109	122	177.6	173.9	-122.5	0	0	0	110.4	L81 K91 E100 S156	L81-Y154 HydrophobicContact CD1-CD2 3.72Å; L81-Y154 HydrophobicContact CD1-CE2 3.57Å; L81-Y154 HydrophobicContact CD2-CE2 3.82Å; L81-Y154 HydrophobicContact CG-CE2 4.36Å; K91-Y154 HydrophobicContact CD-CE1 3.92Å; K91-Y154 HydrophobicContact CD-CE2 4.39Å; K91-Y154 HydrophobicContact CG-CE1 4.35Å; K91-Y154 HydrophobicContact CG-CE2 4.41Å; E100-Y154 HydrophobicContact CB-CD1 3.9Å; E100-Y154 WeakPolarHBondContact OE2-CD1 3.49Å; E100-Y154 VanDerWaalsContact OE2-CE1 3.22Å; E100-Y154 WeakPolarHBondContact OE2-CE1 3.25Å; Y154-S156 VanDerWaalsContact CE1-CB 3.49Å
155	A	96.9	Very high	93.4	Very high	9 Å²	9	43.9 Å²	43.9	7%	0.074	22%	0.221	C	C	.	.			trans	-94.9	101.6	174.6	0	0	0	0	0	109.3	I136 K157 L205 L206 K213	I136-A155 HydrophobicContact CD1-CB 4.19Å; A155-K157 PolarHBondContact O-N 3.07Å; A155-L205 HydrophobicContact CB-CB 3.54Å; A155-L205 HydrophobicContact CB-CD1 3.98Å; A155-L205 HydrophobicContact CB-CG 4.42Å; A155-L206 CarbonylContact C-O 3.54Å; A155-L206 VanDerWaalsContact C-O 3.27Å; A155-L206 WeakPolarHBondContact CB-O 3.27Å; A155-K213 HydrophobicContact CB-CB 4.38Å; A155-K213 HydrophobicContact CB-CG 4.38Å
156	S	95.4	Very high	93.3	Very high	46 Å²	46	41.8 Å²	41.8	32%	0.322	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.2	-165.2	60.7	0	0	0	0	115.7	Y154 L206 E208	Y154-S156 VanDerWaalsContact CE1-CB 3.49Å; S156-L206 PolarHBondContact N-O 2.84Å; S156-E208 VanDerWaalsContact OG-CA 3.28Å; S156-E208 WeakPolarHBondContact OG-CA 3.42Å; S156-E208 WeakPolarHBondContact OG-CB 3.38Å; S156-E208 PolarHBondContact OG-N 2.69Å
157	K	94.8	Very high	92.8	Very high	120 Å²	120	42.8 Å²	42.8	52%	0.522	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.6	175.1	-62.9	-67	-172.9	-175.1	0	113.6	A155 L206 D207 E208	A155-K157 PolarHBondContact O-N 3.07Å; K157-L206 HydrophobicContact CB-CB 3.61Å; K157-L206 WeakPolarHBondContact CB-O 3.47Å; K157-L206 PolarHBondContact N-O 2.88Å; K157-D207 WeakPolarHBondContact CG-O 3.5Å; K157-E208 WeakPolarHBondContact CE-O 3.29Å
158	G	93.7	Very high	92	Very high	32 Å²	32	48.9 Å²	48.9	33%	0.33	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.8	-151.5	174.6	0	0	0	0	0	114.1	L205 L206	G158-L205 CarbonylContact O-C 3.6Å; G158-L205 VanDerWaalsContact O-CA 3.24Å; G158-L205 WeakPolarHBondContact O-CA 3.27Å; G158-L206 PolarHBondContact O-N 2.9Å
159	E	94.4	Very high	91.2	Very high	63 Å²	63	55.9 Å²	55.9	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.8	-177.2	-66.1	159.8	-149.6	0	0	111.8	Y161 D162 Y163 L205 K469	E159-Y161 PolarHBondContact O-N 3Å; E159-D162 PolarHBondContact O-N 3.15Å; E159-D162 VanDerWaalsContact O-N 3.15Å; E159-Y163 PolarHBondContact O-N 2.81Å; E159-L205 HydrophobicContact CG-CD2 4.06Å; E159-K469 IonicContact OE1-NZ 2.68Å; E159-K469 IonicContact OE2-NZ 3.42Å; E159-K469 PolarHBondContact OE2-NZ 2.71Å
160	L	93.6	Very high	90.9	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-28.1	170	179.5	62.4	0	0	0	111.5	D162 Y163 I164 F178 I182 L201 V204 L206 I212 L266	L160-D162 PolarHBondContact O-N 3.23Å; L160-Y163 HydrophobicContact CD1-CD1 4.35Å; L160-Y163 WeakPolarHBondContact O-CB 3.22Å; L160-Y163 PolarHBondContact O-N 3.01Å; L160-I164 HydrophobicContact CD1-CD1 4.41Å; L160-I164 HydrophobicContact CD1-CG1 4.39Å; L160-I164 HydrophobicContact CG-CD1 3.96Å; L160-I164 HydrophobicContact CG-CG1 4.45Å; L160-I164 WeakPolarHBondContact O-CD1 3.39Å; L160-I164 VanDerWaalsContact O-CG1 3.27Å; L160-I164 WeakPolarHBondContact O-CG1 3.47Å; L160-I164 PolarHBondContact O-N 3.24Å; L160-I164 VanDerWaalsContact O-N 3.1Å; L160-F178 HydrophobicContact CD1-CD2 4.21Å; L160-F178 HydrophobicContact CD1-CE2 4.26Å; L160-F178 HydrophobicContact CD1-CG 4.44Å; L160-I182 HydrophobicContact CD2-CD1 4.28Å; L160-L201 HydrophobicContact CD2-CD2 3.88Å; L160-L201 HydrophobicContact CG-CD2 4.21Å; L160-V204 HydrophobicContact CB-CB 4.33Å; L160-V204 HydrophobicContact CB-CG1 3.98Å; L160-V204 VanDerWaalsContact CB-O 3.24Å; L160-V204 WeakPolarHBondContact CB-O 3.41Å; L160-V204 HydrophobicContact CD2-CB 4.36Å; L160-V204 HydrophobicContact CD2-CG1 3.6Å; L160-V204 HydrophobicContact CG-CG1 4.45Å; L160-V204 PolarHBondContact N-O 2.87Å; L160-L206 HydrophobicContact CD1-CD1 4.08Å; L160-L206 HydrophobicContact CD1-CD2 4.36Å; L160-L206 HydrophobicContact CD1-CG 4.41Å; L160-I212 HydrophobicContact CD2-CD1 3.8Å; L160-L266 HydrophobicContact CD2-CD2 4.17Å
161	Y	91.1	Very high	90.8	Very high	22 Å²	22	58.7 Å²	58.7	9%	0.086	28%	0.277	C	S	.	.	H	α-helix	trans	-55.6	-46.2	173	-172.8	-97.6	0	0	0	113.3	E159 S165 L201 P467	E159-Y161 PolarHBondContact O-N 3Å; Y161-S165 WeakPolarHBondContact O-CB 3.32Å; Y161-S165 PolarHBondContact O-N 2.97Å; Y161-S165 PolarHBondContact O-OG 3.03Å; Y161-L201 HydrophobicContact CD2-CB 4.1Å; Y161-L201 HydrophobicContact CD2-CD1 4.1Å; Y161-P467 PolarHBondContact OH-O 2.82Å
162	D	91.2	Very high	90.7	Very high	56 Å²	56	61.6 Å²	61.6	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-70	-41.7	179.8	-75.3	-24.9	0	0	0	110.7	E159 L160 I164 S165 E166 K469	E159-D162 PolarHBondContact O-N 3.15Å; E159-D162 VanDerWaalsContact O-N 3.15Å; L160-D162 PolarHBondContact O-N 3.23Å; D162-I164 VanDerWaalsContact C-N 3.29Å; D162-I164 PolarHBondContact O-N 2.75Å; D162-S165 PolarHBondContact O-N 3.15Å; D162-E166 WeakPolarHBondContact O-CG 3.35Å; D162-E166 PolarHBondContact O-N 3.42Å; D162-K469 WeakPolarHBondContact OD1-CE 3.36Å; D162-K469 IonicContact OD1-NZ 2.76Å; D162-K469 PolarHBondContact OD1-NZ 2.79Å; D162-K469 IonicContact OD2-NZ 2.68Å; D162-K469 PolarHBondContact OD2-NZ 2.86Å
163	Y	90.4	Very high	90.6	Very high	37 Å²	37	70.5 Å²	70.5	15%	0.145	32%	0.324	C	S	.	.	H	α-helix	trans	-54.8	-42.1	176.4	-172.9	-85.6	0	0	0	113.1	E159 L160 R167 L170 E174 F178 L206	E159-Y163 PolarHBondContact O-N 2.81Å; L160-Y163 HydrophobicContact CD1-CD1 4.35Å; L160-Y163 WeakPolarHBondContact O-CB 3.22Å; L160-Y163 PolarHBondContact O-N 3.01Å; Y163-R167 VanDerWaalsContact CE2-CZ 3.42Å; Y163-R167 WeakPolarHBondContact O-CD 3.33Å; Y163-R167 WeakPolarHBondContact O-CG 3.38Å; Y163-R167 PolarHBondContact O-N 3.43Å; Y163-R167 PolarHBondContact OH-NE 2.75Å; Y163-L170 HydrophobicContact CD1-CD2 4.13Å; Y163-L170 HydrophobicContact CE1-CD2 3.91Å; Y163-E174 PolarHBondContact OH-OE1 2.84Å; Y163-F178 HydrophobicContact CD1-CE2 4.25Å; Y163-F178 HydrophobicContact CD1-CZ 4.31Å; Y163-F178 AromaticContact CE1-CE2 3.75Å; Y163-F178 HydrophobicContact CE1-CE2 3.75Å; Y163-F178 AromaticContact CE1-CZ 3.7Å; Y163-F178 HydrophobicContact CE1-CZ 3.7Å; Y163-F178 AromaticContact CZ-CZ 3.97Å; Y163-L206 HydrophobicContact CD1-CD1 4.4Å; Y163-L206 HydrophobicContact CD2-CD1 3.54Å; Y163-L206 HydrophobicContact CE2-CD1 4.2Å; Y163-L206 HydrophobicContact CG-CD1 3.66Å
164	I	89.1	Confident	90.5	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-70.6	-45.1	175	-60.7	155.3	0	0	0	110.5	L160 D162 E166 R167 R168 L170 L201 L266 L466	L160-I164 HydrophobicContact CD1-CD1 4.41Å; L160-I164 HydrophobicContact CD1-CG1 4.39Å; L160-I164 HydrophobicContact CG-CD1 3.96Å; L160-I164 HydrophobicContact CG-CG1 4.45Å; L160-I164 WeakPolarHBondContact O-CD1 3.39Å; L160-I164 VanDerWaalsContact O-CG1 3.27Å; L160-I164 WeakPolarHBondContact O-CG1 3.47Å; L160-I164 PolarHBondContact O-N 3.24Å; L160-I164 VanDerWaalsContact O-N 3.1Å; D162-I164 VanDerWaalsContact C-N 3.29Å; D162-I164 PolarHBondContact O-N 2.75Å; I164-E166 VanDerWaalsContact C-N 3.3Å; I164-E166 PolarHBondContact O-N 3.33Å; I164-R167 PolarHBondContact O-N 2.82Å; I164-R167 VanDerWaalsContact O-N 3.12Å; I164-R168 PolarHBondContact O-N 3.12Å; I164-L170 HydrophobicContact CG1-CD1 4.16Å; I164-L170 HydrophobicContact CG1-CG 4.49Å; I164-L201 HydrophobicContact CD1-CD1 3.81Å; I164-L201 HydrophobicContact CD1-CD2 3.79Å; I164-L201 HydrophobicContact CD1-CG 4.4Å; I164-L266 HydrophobicContact CD1-CD2 3.51Å; I164-L266 HydrophobicContact CG1-CD2 4.15Å; I164-L466 HydrophobicContact CG2-CD1 4.18Å
165	S	86.9	Confident	90.4	Very high	47 Å²	47	68.8 Å²	68.8	33%	0.329	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-37.5	-176.1	-64.7	0	0	0	0	112.7	Y161 D162	Y161-S165 WeakPolarHBondContact O-CB 3.32Å; Y161-S165 PolarHBondContact O-N 2.97Å; Y161-S165 PolarHBondContact O-OG 3.03Å; D162-S165 PolarHBondContact O-N 3.15Å
166	E	87.8	Confident	90.4	Very high	150 Å²	150	69.3 Å²	69.3	70%	0.701	32%	0.317	S	S	*	.	H	α-helix	trans	-66.5	-45.2	172.3	-69.7	178.3	169.6	0	0	112.5	D162 I164	D162-E166 WeakPolarHBondContact O-CG 3.35Å; D162-E166 PolarHBondContact O-N 3.42Å; I164-E166 VanDerWaalsContact C-N 3.3Å; I164-E166 PolarHBondContact O-N 3.33Å
167	R	81.5	Confident	90.5	Very high	114 Å²	114	70 Å²	70	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-80.6	-17.1	-174.2	-74.6	167.9	171.9	60.7	7.7	114.4	Y163 I164 R169 L170	Y163-R167 VanDerWaalsContact CE2-CZ 3.42Å; Y163-R167 WeakPolarHBondContact O-CD 3.33Å; Y163-R167 WeakPolarHBondContact O-CG 3.38Å; Y163-R167 PolarHBondContact O-N 3.43Å; Y163-R167 PolarHBondContact OH-NE 2.75Å; I164-R167 PolarHBondContact O-N 2.82Å; I164-R167 VanDerWaalsContact O-N 3.12Å; R167-R169 PolarHBondContact O-N 3.3Å; R167-L170 HydrophobicContact CB-CD2 4.34Å
168	R	75.1	Confident	90.6	Very high	211 Å²	211	64.5 Å²	64.5	80%	0.796	29%	0.291	S	S	*	.	S	Bend	trans	61.6	-41.4	-171.9	-55.9	-173.8	178.2	-148.9	3.8	116	I164	I164-R168 PolarHBondContact O-N 3.12Å
169	R	78.3	Confident	90.8	Very high	147 Å²	147	63 Å²	63	56%	0.555	28%	0.276	S	S	*	.	S	Bend	trans	-150.5	129.1	177.5	-165.6	170.8	69.5	83.7	-5.5	110.9	R167	R167-R169 PolarHBondContact O-N 3.3Å
170	L	88.8	Confident	90.9	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.037	27%	0.265	C	S	.	.			trans	-81.6	161.4	175.5	-57.1	-176.5	0	0	0	111.3	Y163 I164 R167 E174 T175 F178 L266	Y163-L170 HydrophobicContact CD1-CD2 4.13Å; Y163-L170 HydrophobicContact CE1-CD2 3.91Å; I164-L170 HydrophobicContact CG1-CD1 4.16Å; I164-L170 HydrophobicContact CG1-CG 4.49Å; R167-L170 HydrophobicContact CB-CD2 4.34Å; L170-E174 HydrophobicContact CB-CG 4.36Å; L170-E174 HydrophobicContact CD2-CG 4.45Å; L170-T175 WeakPolarHBondContact CB-OG1 3.12Å; L170-F178 HydrophobicContact CD1-CD2 3.85Å; L170-F178 HydrophobicContact CD1-CE2 3.92Å; L170-L266 HydrophobicContact CD1-CD2 3.95Å
171	S	92.5	Very high	91.1	Very high	58 Å²	58	61.7 Å²	61.7	41%	0.406	27%	0.269	S	S	.	.			trans	-78.7	148.6	168.8	67.6	0	0	0	0	111.3	R173 E174 T175	S171-R173 PolarHBondContact O-N 3.16Å; S171-R173 VanDerWaalsContact O-N 3.1Å; S171-E174 PolarHBondContact N-OE2 3.35Å; S171-E174 WeakPolarHBondContact O-CA 3.48Å; S171-E174 WeakPolarHBondContact O-CB 3.43Å; S171-E174 PolarHBondContact O-N 2.83Å; S171-E174 WeakPolarHBondContact OG-CB 3.28Å; S171-E174 PolarHBondContact OG-N 2.9Å; S171-E174 PolarHBondContact OG-OE2 3.22Å; S171-E174 VanDerWaalsContact OG-OE2 3.07Å; S171-T175 PolarHBondContact O-N 3.07Å; S171-T175 PolarHBondContact O-OG1 3.36Å
172	E	92.5	Very high	91.5	Very high	61 Å²	61	60.6 Å²	60.6	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-24.1	-177	-176.6	150.7	-170.3	0	0	113.3	R176 S297 D298 W325	E172-R176 WeakPolarHBondContact O-CB 3.26Å; E172-R176 PolarHBondContact O-N 2.88Å; E172-R176 VanDerWaalsContact O-N 3.12Å; E172-R176 IonicContact OE1-NH2 2.78Å; E172-S297 VanDerWaalsContact CD-OG 3.24Å; E172-S297 PolarHBondContact OE1-OG 2.96Å; E172-S297 PolarHBondContact OE2-OG 3.3Å; E172-D298 PolarHBondContact OE1-N 3Å; E172-W325 HydrophobicContact CG-CZ2 4.09Å; E172-W325 PolarHBondContact OE1-NE1 2.92Å
173	R	94.6	Very high	91.8	Very high	212 Å²	212	58 Å²	58	80%	0.8	25%	0.25	S	S	*	.	H	α-helix	trans	-69.6	-37.4	170.9	-179.7	178.1	175.3	-178.1	-2.7	112.7	S171 H177	S171-R173 PolarHBondContact O-N 3.16Å; S171-R173 VanDerWaalsContact O-N 3.1Å; R173-H177 WeakPolarHBondContact O-CB 3.35Å; R173-H177 PolarHBondContact O-N 2.99Å
174	E	94.4	Very high	92.2	Very high	47 Å²	47	56.6 Å²	56.6	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-79.2	-46.1	-178.4	175.3	-176.8	-160.5	0	0	111	Y163 L170 S171 R176 H177 F178	Y163-E174 PolarHBondContact OH-OE1 2.84Å; L170-E174 HydrophobicContact CB-CG 4.36Å; L170-E174 HydrophobicContact CD2-CG 4.45Å; S171-E174 PolarHBondContact N-OE2 3.35Å; S171-E174 WeakPolarHBondContact O-CA 3.48Å; S171-E174 WeakPolarHBondContact O-CB 3.43Å; S171-E174 PolarHBondContact O-N 2.83Å; S171-E174 WeakPolarHBondContact OG-CB 3.28Å; S171-E174 PolarHBondContact OG-N 2.9Å; S171-E174 PolarHBondContact OG-OE2 3.22Å; S171-E174 VanDerWaalsContact OG-OE2 3.07Å; E174-R176 VanDerWaalsContact C-N 3.28Å; E174-R176 PolarHBondContact O-N 2.91Å; E174-H177 WeakPolarHBondContact O-CA 3.28Å; E174-H177 WeakPolarHBondContact O-CB 3.33Å; E174-H177 PolarHBondContact O-N 2.91Å; E174-F178 HydrophobicContact CG-CD2 4.22Å; E174-F178 HydrophobicContact CG-CE2 3.64Å; E174-F178 HydrophobicContact CG-CZ 4.29Å; E174-F178 WeakPolarHBondContact O-CD2 3.08Å; E174-F178 PolarHBondContact O-N 2.95Å
175	T	95.9	Very high	92.6	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-52.6	-46	167.8	-63.2	0	0	0	0	111.3	L170 S171 F179 L263 L266 V267 W325	L170-T175 WeakPolarHBondContact CB-OG1 3.12Å; S171-T175 PolarHBondContact O-N 3.07Å; S171-T175 PolarHBondContact O-OG1 3.36Å; T175-F179 WeakPolarHBondContact O-CB 3.4Å; T175-F179 PolarHBondContact O-N 2.94Å; T175-L263 HydrophobicContact CG2-CD1 3.91Å; T175-L266 HydrophobicContact CG2-CB 3.54Å; T175-L266 HydrophobicContact CG2-CD1 4.39Å; T175-L266 PolarHBondContact OG1-O 3Å; T175-V267 HydrophobicContact CG2-CG2 3.68Å; T175-W325 HydrophobicContact CG2-CH2 4.18Å
176	R	97	Very high	93.1	Very high	19 Å²	19	54.2 Å²	54.2	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-38.9	173.6	-176.5	-176.9	-63.8	113.4	1.9	112.7	E172 E174 R180 W325 W328	E172-R176 WeakPolarHBondContact O-CB 3.26Å; E172-R176 PolarHBondContact O-N 2.88Å; E172-R176 VanDerWaalsContact O-N 3.12Å; E172-R176 IonicContact OE1-NH2 2.78Å; E174-R176 VanDerWaalsContact C-N 3.28Å; E174-R176 PolarHBondContact O-N 2.91Å; R176-R180 WeakPolarHBondContact O-CB 3.45Å; R176-R180 WeakPolarHBondContact O-CG 3.36Å; R176-R180 PolarHBondContact O-N 2.83Å; R176-W325 HydrophobicContact CB-CH2 3.8Å; R176-W325 HydrophobicContact CB-CZ2 4.03Å; R176-W325 HydrophobicContact CB-CZ3 4.32Å; R176-W325 WeakPolarHBondContact CD-O 3.46Å; R176-W325 HydrophobicContact CG-CH2 4.31Å; R176-W325 HydrophobicContact CG-CZ3 4.36Å; R176-W325 PolarHBondContact NE-O 3.38Å; R176-W328 VanDerWaalsContact CD-O 3.31Å; R176-W328 WeakPolarHBondContact CD-O 3.4Å
177	H	96.1	Very high	93.5	Very high	60 Å²	60	47.6 Å²	47.6	28%	0.278	20%	0.199	S	C	.	.	H	α-helix	trans	-63.9	-51.1	178.8	178.7	55.7	0	0	0	111.8	R173 E174 R180 Q181 W330	R173-H177 WeakPolarHBondContact O-CB 3.35Å; R173-H177 PolarHBondContact O-N 2.99Å; E174-H177 WeakPolarHBondContact O-CA 3.28Å; E174-H177 WeakPolarHBondContact O-CB 3.33Å; E174-H177 PolarHBondContact O-N 2.91Å; H177-R180 PolarHBondContact O-N 3.35Å; H177-Q181 PolarHBondContact CE1-NE2 2.86Å; H177-Q181 PolarHBondContact O-N 2.72Å; H177-W330 HydrophobicContact CB-CZ2 4.48Å; H177-W330 AromaticContact CE1-CH2 3.99Å; H177-W330 AromaticContact ND1-CH2 3.48Å; H177-W330 WeakPolarHBondContact ND1-CH2 3.34Å; H177-W330 AromaticContact ND1-CZ2 3.47Å; H177-W330 WeakPolarHBondContact ND1-CZ2 3.42Å
178	F	97.1	Very high	94.2	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.022	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-48.9	175.2	-64.6	-45.2	0	0	0	111.5	L160 Y163 L170 E174 R180 Q181 I182 L206 C210 I212	L160-F178 HydrophobicContact CD1-CD2 4.21Å; L160-F178 HydrophobicContact CD1-CE2 4.26Å; L160-F178 HydrophobicContact CD1-CG 4.44Å; Y163-F178 HydrophobicContact CD1-CE2 4.25Å; Y163-F178 HydrophobicContact CD1-CZ 4.31Å; Y163-F178 AromaticContact CE1-CE2 3.75Å; Y163-F178 HydrophobicContact CE1-CE2 3.75Å; Y163-F178 AromaticContact CE1-CZ 3.7Å; Y163-F178 HydrophobicContact CE1-CZ 3.7Å; Y163-F178 AromaticContact CZ-CZ 3.97Å; L170-F178 HydrophobicContact CD1-CD2 3.85Å; L170-F178 HydrophobicContact CD1-CE2 3.92Å; E174-F178 HydrophobicContact CG-CD2 4.22Å; E174-F178 HydrophobicContact CG-CE2 3.64Å; E174-F178 HydrophobicContact CG-CZ 4.29Å; E174-F178 WeakPolarHBondContact O-CD2 3.08Å; E174-F178 PolarHBondContact O-N 2.95Å; F178-R180 VanDerWaalsContact C-N 3.32Å; F178-R180 PolarHBondContact O-N 3.34Å; F178-Q181 PolarHBondContact O-N 2.74Å; F178-I182 WeakPolarHBondContact O-CG1 3.46Å; F178-I182 PolarHBondContact O-N 2.96Å; F178-L206 HydrophobicContact CD1-CD2 4.28Å; F178-L206 HydrophobicContact CE1-CD2 3.87Å; F178-C210 WeakPolarHBondContact CE1-O 3.48Å; F178-I212 HydrophobicContact CB-CD1 4Å; F178-I212 HydrophobicContact CB-CG1 4.19Å; F178-I212 HydrophobicContact CD1-CD1 3.88Å; F178-I212 HydrophobicContact CD1-CG1 4.01Å; F178-I212 HydrophobicContact CG-CD1 4.21Å
179	F	98	Very high	95.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-37.2	-177.5	-169.6	-106.3	0	0	0	112.8	T175 Q181 I182 V183 L259 L262 L263 L266 L302 M306 I320 W325 V326	T175-F179 WeakPolarHBondContact O-CB 3.4Å; T175-F179 PolarHBondContact O-N 2.94Å; F179-Q181 VanDerWaalsContact C-N 3.33Å; F179-Q181 PolarHBondContact O-N 2.94Å; F179-I182 PolarHBondContact O-N 2.8Å; F179-V183 HydrophobicContact CD1-CG2 3.81Å; F179-V183 HydrophobicContact CD2-CG2 4.37Å; F179-V183 HydrophobicContact CE1-CG2 3.42Å; F179-V183 VanDerWaalsContact CE1-CG2 3.42Å; F179-V183 HydrophobicContact CE2-CG2 4Å; F179-V183 HydrophobicContact CG-CG2 4.28Å; F179-V183 HydrophobicContact CZ-CG2 3.52Å; F179-V183 WeakPolarHBondContact O-CB 3.41Å; F179-V183 VanDerWaalsContact O-CG2 3.27Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.16Å; F179-L259 HydrophobicContact CE2-CB 4.21Å; F179-L259 HydrophobicContact CE2-CD2 4Å; F179-L259 HydrophobicContact CZ-CB 4.28Å; F179-L259 HydrophobicContact CZ-CD2 4.47Å; F179-L262 HydrophobicContact CD2-CD2 4.3Å; F179-L263 HydrophobicContact CB-CD1 4.25Å; F179-L263 HydrophobicContact CD1-CD1 4.21Å; F179-L263 HydrophobicContact CD1-CD2 4.32Å; F179-L263 HydrophobicContact CD2-CB 3.99Å; F179-L263 HydrophobicContact CD2-CD1 4.03Å; F179-L263 HydrophobicContact CD2-CG 4.46Å; F179-L263 HydrophobicContact CE1-CD2 3.99Å; F179-L263 HydrophobicContact CE2-CB 3.7Å; F179-L263 HydrophobicContact CE2-CD1 4.47Å; F179-L263 HydrophobicContact CE2-CD2 4.47Å; F179-L263 HydrophobicContact CE2-CG 4.42Å; F179-L263 HydrophobicContact CG-CD1 3.89Å; F179-L263 HydrophobicContact CZ-CB 4.06Å; F179-L263 HydrophobicContact CZ-CD2 4.08Å; F179-L266 HydrophobicContact CB-CD1 4.39Å; F179-L302 HydrophobicContact CE1-CD2 4.18Å; F179-M306 HydrophobicContact CE1-CE 4.3Å; F179-M306 HydrophobicContact CE2-CE 4.34Å; F179-M306 HydrophobicContact CZ-CE 3.62Å; F179-M306 HydrophobicContact CZ-SD 3.88Å; F179-I320 HydrophobicContact CE1-CG2 3.76Å; F179-I320 HydrophobicContact CZ-CG2 3.92Å; F179-W325 AromaticContact CD1-CZ3 3.92Å; F179-W325 HydrophobicContact CD1-CZ3 3.92Å; F179-V326 HydrophobicContact CD1-CG2 4.07Å; F179-V326 HydrophobicContact CE1-CG2 3.99Å
180	R	97.6	Very high	96.1	Very high	19 Å²	19	27.1 Å²	27.1	7%	0.072	12%	0.124	C	C	.	.	H	α-helix	trans	-56.4	-44.2	171.1	-80	175.7	71	74.4	-2.1	112.8	R176 H177 F178 S184 V326 N327 W330 N332 V334	R176-R180 WeakPolarHBondContact O-CB 3.45Å; R176-R180 WeakPolarHBondContact O-CG 3.36Å; R176-R180 PolarHBondContact O-N 2.83Å; H177-R180 PolarHBondContact O-N 3.35Å; F178-R180 VanDerWaalsContact C-N 3.32Å; F178-R180 PolarHBondContact O-N 3.34Å; R180-S184 WeakPolarHBondContact O-CB 3.12Å; R180-S184 PolarHBondContact O-N 2.63Å; R180-V326 WeakPolarHBondContact CD-O 3Å; R180-V326 HydrophobicContact CG-CG1 3.69Å; R180-V326 WeakPolarHBondContact CG-O 3.44Å; R180-V326 PolarHBondContact NH1-O 3.06Å; R180-N327 PolarHBondContact NH1-OD1 3.02Å; R180-W330 VanDerWaalsContact CD-NE1 3.3Å; R180-W330 VanDerWaalsContact CZ-CG 3.44Å; R180-W330 VanDerWaalsContact NE-CD2 3.28Å; R180-N332 PolarHBondContact NH2-O 3.5Å; R180-V334 HydrophobicContact CB-CG2 4.28Å; R180-V334 HydrophobicContact CG-CG2 4.07Å
181	Q	97.8	Very high	96.4	Very high	17 Å²	17	32.7 Å²	32.7	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-70.1	-39.4	-178.4	-66.2	-175.9	-18.9	0	0	111.6	H134 H177 F178 F179 S184 A185 N211 I212	H134-Q181 HydrophobicContact CB-CB 4.45Å; H134-Q181 PolarHBondContact CE1-NE2 2.64Å; H134-Q181 VanDerWaalsContact CE1-NE2 3.29Å; H177-Q181 PolarHBondContact CE1-NE2 2.86Å; H177-Q181 PolarHBondContact O-N 2.72Å; F178-Q181 PolarHBondContact O-N 2.74Å; F179-Q181 VanDerWaalsContact C-N 3.33Å; F179-Q181 PolarHBondContact O-N 2.94Å; Q181-S184 WeakPolarHBondContact O-CB 3.36Å; Q181-S184 PolarHBondContact O-N 2.85Å; Q181-A185 PolarHBondContact O-N 3.17Å; Q181-A185 VanDerWaalsContact O-N 3.17Å; Q181-N211 PolarHBondContact NE2-OD1 3.46Å; Q181-I212 HydrophobicContact CB-CB 3.72Å; Q181-I212 HydrophobicContact CB-CG1 3.81Å; Q181-I212 HydrophobicContact CB-CG2 4.34Å
182	I	98.4	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-52.4	173.2	-60.8	169.4	0	0	0	110.1	L160 F178 F179 S184 A185 V186 V204 I212 I214 L259 L262	L160-I182 HydrophobicContact CD2-CD1 4.28Å; F178-I182 WeakPolarHBondContact O-CG1 3.46Å; F178-I182 PolarHBondContact O-N 2.96Å; F179-I182 PolarHBondContact O-N 2.8Å; I182-S184 VanDerWaalsContact C-N 3.3Å; I182-S184 PolarHBondContact O-N 3.04Å; I182-A185 WeakPolarHBondContact O-CB 3.47Å; I182-A185 PolarHBondContact O-N 2.63Å; I182-A185 VanDerWaalsContact O-N 3.07Å; I182-V186 HydrophobicContact CG2-CG2 4.42Å; I182-V186 WeakPolarHBondContact O-CG2 3.41Å; I182-V186 PolarHBondContact O-N 3.45Å; I182-V204 HydrophobicContact CD1-CG1 4.16Å; I182-V204 HydrophobicContact CG1-CG1 4.29Å; I182-I212 HydrophobicContact CD1-CD1 4.18Å; I182-I212 HydrophobicContact CG1-CB 4.46Å; I182-I212 HydrophobicContact CG1-CD1 4.03Å; I182-I212 HydrophobicContact CG1-CG1 4.03Å; I182-I212 HydrophobicContact CG1-CG2 3.67Å; I182-I214 HydrophobicContact CG2-CD1 4.13Å; I182-L259 HydrophobicContact CG2-CD2 3.62Å; I182-L262 HydrophobicContact CD1-CD1 4.24Å; I182-L262 HydrophobicContact CD1-CD2 3.53Å
183	V	98.3	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-38.6	179.2	172.5	0	0	0	0	111.6	F179 A185 V186 H187 L259 V317 I320 A321 V334	F179-V183 HydrophobicContact CD1-CG2 3.81Å; F179-V183 HydrophobicContact CD2-CG2 4.37Å; F179-V183 HydrophobicContact CE1-CG2 3.42Å; F179-V183 VanDerWaalsContact CE1-CG2 3.42Å; F179-V183 HydrophobicContact CE2-CG2 4Å; F179-V183 HydrophobicContact CG-CG2 4.28Å; F179-V183 HydrophobicContact CZ-CG2 3.52Å; F179-V183 WeakPolarHBondContact O-CB 3.41Å; F179-V183 VanDerWaalsContact O-CG2 3.27Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.16Å; V183-A185 VanDerWaalsContact C-N 3.32Å; V183-A185 PolarHBondContact O-N 3.17Å; V183-V186 PolarHBondContact O-N 2.74Å; V183-H187 WeakPolarHBondContact O-CB 3.3Å; V183-H187 PolarHBondContact O-N 2.81Å; V183-L259 HydrophobicContact CG2-CD1 4.42Å; V183-L259 HydrophobicContact CG2-CD2 4.3Å; V183-V317 HydrophobicContact CG1-CG1 4.38Å; V183-I320 HydrophobicContact CG1-CG2 4.08Å; V183-I320 HydrophobicContact CG2-CG2 3.73Å; V183-A321 HydrophobicContact CG1-CB 3.79Å; V183-V334 HydrophobicContact CG1-CG1 4.23Å
184	S	97.8	Very high	96.7	Very high	8 Å²	8	21.8 Å²	21.8	6%	0.056	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-43.7	173.9	-165.2	0	0	0	0	112	H132 R180 Q181 I182 H188 V334	H132-S184 VanDerWaalsContact CE1-C 3.44Å; H132-S184 PolarHBondContact CE1-OG 3.06Å; H132-S184 PolarHBondContact NE2-O 2.9Å; H132-S184 PolarHBondContact NE2-OG 2.58Å; R180-S184 WeakPolarHBondContact O-CB 3.12Å; R180-S184 PolarHBondContact O-N 2.63Å; Q181-S184 WeakPolarHBondContact O-CB 3.36Å; Q181-S184 PolarHBondContact O-N 2.85Å; I182-S184 VanDerWaalsContact C-N 3.3Å; I182-S184 PolarHBondContact O-N 3.04Å; S184-H188 WeakPolarHBondContact O-CB 3.1Å; S184-H188 PolarHBondContact O-N 2.92Å; S184-H188 VanDerWaalsContact O-N 3.07Å; S184-V334 VanDerWaalsContact CA-CG1 3.5Å
185	A	97.6	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.7	-45.7	179	0	0	0	0	0	112.6	H132 H134 I135 Q181 I182 V183 H187 H188 C189 I214	H132-A185 VanDerWaalsContact CE1-CA 3.42Å; H132-A185 WeakPolarHBondContact CE1-CA 3.28Å; H132-A185 PolarHBondContact CE1-N 2.89Å; H132-A185 VanDerWaalsContact CE1-N 3.27Å; H134-A185 HydrophobicContact CB-CB 4.14Å; I135-A185 HydrophobicContact CD1-CB 4.21Å; I135-A185 HydrophobicContact CG1-CB 3.74Å; Q181-A185 PolarHBondContact O-N 3.17Å; Q181-A185 VanDerWaalsContact O-N 3.17Å; I182-A185 WeakPolarHBondContact O-CB 3.47Å; I182-A185 PolarHBondContact O-N 2.63Å; I182-A185 VanDerWaalsContact O-N 3.07Å; V183-A185 VanDerWaalsContact C-N 3.32Å; V183-A185 PolarHBondContact O-N 3.17Å; A185-H187 PolarHBondContact O-N 3.18Å; A185-H188 WeakPolarHBondContact O-CB 3.44Å; A185-H188 PolarHBondContact O-N 2.84Å; A185-C189 PolarHBondContact O-N 3.15Å; A185-C189 PolarHBondContact O-SG 3.22Å; A185-I214 HydrophobicContact CB-CD1 3.55Å; A185-I214 HydrophobicContact CB-CG1 4.06Å
186	V	98	Very high	96.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-65.6	-40.1	179	-178.3	0	0	0	0	111.1	I182 V183 H188 C189 H190 L199 I214 D255 L259 V317	I182-V186 HydrophobicContact CG2-CG2 4.42Å; I182-V186 WeakPolarHBondContact O-CG2 3.41Å; I182-V186 PolarHBondContact O-N 3.45Å; V183-V186 PolarHBondContact O-N 2.74Å; V186-H188 VanDerWaalsContact C-N 3.31Å; V186-H188 PolarHBondContact O-N 2.98Å; V186-C189 WeakPolarHBondContact O-CB 3.4Å; V186-C189 PolarHBondContact O-N 3.34Å; V186-H190 PolarHBondContact O-CD2 3.26Å; V186-H190 PolarHBondContact O-N 3Å; V186-L199 HydrophobicContact CG1-CD1 4.12Å; V186-L199 HydrophobicContact CG2-CD1 3.67Å; V186-L199 HydrophobicContact CG2-CD2 3.89Å; V186-L199 HydrophobicContact CG2-CG 4.46Å; V186-I214 HydrophobicContact CG2-CD1 3.88Å; V186-D255 HydrophobicContact CG1-CB 4.09Å; V186-L259 HydrophobicContact CB-CD1 4.38Å; V186-L259 HydrophobicContact CG1-CD1 4.19Å; V186-L259 HydrophobicContact CG2-CD2 4.3Å; V186-V317 HydrophobicContact CB-CG1 4.35Å; V186-V317 HydrophobicContact CG1-CG1 4.17Å; V186-V317 HydrophobicContact CG1-CG2 4.11Å
187	H	96.8	Very high	96.8	Very high	11 Å²	11	19.8 Å²	19.8	5%	0.051	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-40.1	172.5	177.2	-112.6	0	0	0	112.1	V183 A185 H190 K191 V317 C335 E338	V183-H187 WeakPolarHBondContact O-CB 3.3Å; V183-H187 PolarHBondContact O-N 2.81Å; A185-H187 PolarHBondContact O-N 3.18Å; H187-H190 PolarHBondContact O-N 3.24Å; H187-K191 WeakPolarHBondContact CE1-CE 3.47Å; H187-K191 WeakPolarHBondContact O-CB 3.34Å; H187-K191 WeakPolarHBondContact O-CG 3.35Å; H187-K191 PolarHBondContact O-N 3.02Å; H187-V317 HydrophobicContact CB-CG1 3.87Å; H187-C335 VanDerWaalsContact CE1-SG 3.6Å; H187-E338 IonicContact ND1-OE2 2.73Å
188	H	96.3	Very high	96.7	Very high	22 Å²	22	17.6 Å²	17.6	10%	0.102	9%	0.088	C	C	.	.	H	α-helix	trans	-65.3	-42.1	173.7	-174.9	93	0	0	0	112.1	R131 H132 S184 A185 V186 N192 E338	R131-H188 PolarHBondContact N-NE2 3.21Å; H132-H188 HydrophobicContact CB-CB 4.3Å; H132-H188 AromaticContact CD2-CG 3.78Å; H132-H188 AromaticContact CD2-ND1 3.87Å; S184-H188 WeakPolarHBondContact O-CB 3.1Å; S184-H188 PolarHBondContact O-N 2.92Å; S184-H188 VanDerWaalsContact O-N 3.07Å; A185-H188 WeakPolarHBondContact O-CB 3.44Å; A185-H188 PolarHBondContact O-N 2.84Å; V186-H188 VanDerWaalsContact C-N 3.31Å; V186-H188 PolarHBondContact O-N 2.98Å; H188-N192 PolarHBondContact O-N 3.02Å; H188-N192 PolarHBondContact O-ND2 3.12Å; H188-E338 IonicContact CE1-OE1 2.83Å; H188-E338 IonicContact CG-OE1 2.89Å; H188-E338 IonicContact ND1-OE1 3.7Å; H188-E338 PolarHBondContact ND1-OE1 3.26Å
189	C	96.8	Very high	96.7	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-57.6	-51.1	173.1	-63.4	0	0	0	0	111.3	A185 V186 K191 N192 G193 V194	A185-C189 PolarHBondContact O-N 3.15Å; A185-C189 PolarHBondContact O-SG 3.22Å; V186-C189 WeakPolarHBondContact O-CB 3.4Å; V186-C189 PolarHBondContact O-N 3.34Å; C189-K191 PolarHBondContact O-N 3.35Å; C189-N192 CarbonylContact O-C 3.48Å; C189-N192 WeakPolarHBondContact O-CA 3.46Å; C189-N192 PolarHBondContact O-N 3.16Å; C189-G193 PolarHBondContact O-N 2.68Å; C189-V194 CarbonylContact C-O 3.57Å; C189-V194 HydrophobicContact CB-CB 4.17Å; C189-V194 HydrophobicContact CB-CG1 4.33Å; C189-V194 PolarHBondContact O-N 3.47Å; C189-V194 VanDerWaalsContact O-O 3.14Å
190	H	96	Very high	96.5	Very high	17 Å²	17	18.7 Å²	18.7	8%	0.079	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-42.9	-177.3	-69.9	-168.3	0	0	0	111.8	V186 H187 N192 G193 V194 Y223 P252 D255 V317	V186-H190 PolarHBondContact O-CD2 3.26Å; V186-H190 PolarHBondContact O-N 3Å; H187-H190 PolarHBondContact O-N 3.24Å; H190-N192 PolarHBondContact O-N 3.33Å; H190-G193 PolarHBondContact O-N 2.78Å; H190-V194 PolarHBondContact CD2-O 3.49Å; H190-V194 VanDerWaalsContact CD2-O 3.3Å; H190-V194 PolarHBondContact N-O 2.89Å; H190-Y223 PolarHBondContact O-OH 3.1Å; H190-Y223 VanDerWaalsContact O-OH 3.12Å; H190-P252 VanDerWaalsContact CE1-CA 3.47Å; H190-P252 WeakPolarHBondContact CE1-CA 3.43Å; H190-P252 PolarHBondContact CE1-O 3.19Å; H190-D255 IonicContact CD2-OD2 3.47Å; H190-D255 IonicContact CE1-OD2 2.71Å; H190-D255 IonicContact NE2-OD2 3.16Å; H190-D255 PolarHBondContact NE2-OD2 3.27Å; H190-V317 WeakPolarHBondContact CE1-CG2 3.4Å; H190-V317 WeakPolarHBondContact ND1-CG2 3.4Å
191	K	94.4	Very high	96.1	Very high	124 Å²	124	17.8 Å²	17.8	54%	0.539	9%	0.089	S	C	.	.	H	α-helix	trans	-56.2	-32.9	172.2	-84.4	-178.6	170.1	-179.2	0	113.9	H187 C189 G193 E338	H187-K191 WeakPolarHBondContact CE1-CE 3.47Å; H187-K191 WeakPolarHBondContact O-CB 3.34Å; H187-K191 WeakPolarHBondContact O-CG 3.35Å; H187-K191 PolarHBondContact O-N 3.02Å; C189-K191 PolarHBondContact O-N 3.35Å; K191-G193 VanDerWaalsContact C-N 3.31Å; K191-E338 IonicContact NZ-OE2 3.6Å; K191-E338 PolarHBondContact NZ-OE2 3.36Å
192	N	94.6	Very high	95.7	Very high	82 Å²	82	20.4 Å²	20.4	44%	0.439	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	11.8	178.5	-72.5	-82.2	0	0	0	113	L130 H188 C189 H190 V194	L130-N192 HydrophobicContact CD2-CB 3.92Å; H188-N192 PolarHBondContact O-N 3.02Å; H188-N192 PolarHBondContact O-ND2 3.12Å; C189-N192 CarbonylContact O-C 3.48Å; C189-N192 WeakPolarHBondContact O-CA 3.46Å; C189-N192 PolarHBondContact O-N 3.16Å; H190-N192 PolarHBondContact O-N 3.33Å; N192-V194 VanDerWaalsContact C-N 3.31Å; N192-V194 PolarHBondContact O-N 2.8Å
193	G	95.3	Very high	95.5	Very high	20 Å²	20	21.2 Å²	21.2	21%	0.206	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	17.5	178.9	0	0	0	0	0	114.3	C189 H190 K191 L222 Y223	C189-G193 PolarHBondContact O-N 2.68Å; H190-G193 PolarHBondContact O-N 2.78Å; K191-G193 VanDerWaalsContact C-N 3.31Å; G193-L222 CarbonylContact O-C 3.56Å; G193-L222 VanDerWaalsContact O-CA 3.28Å; G193-L222 WeakPolarHBondContact O-CA 3.4Å; G193-Y223 VanDerWaalsContact C-CE1 3.5Å; G193-Y223 VanDerWaalsContact O-CD1 3.23Å; G193-Y223 WeakPolarHBondContact O-CD1 3.28Å; G193-Y223 PolarHBondContact O-N 2.71Å
194	V	96.5	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.8	179.5	177.9	0	0	0	0	110.3	I126 L130 C189 H190 N192 F217 N221 L222	I126-V194 HydrophobicContact CD1-CG1 4.37Å; I126-V194 HydrophobicContact CG1-CG2 4.34Å; I126-V194 HydrophobicContact CG2-CB 4.48Å; I126-V194 HydrophobicContact CG2-CG1 3.63Å; I126-V194 HydrophobicContact CG2-CG2 3.99Å; L130-V194 HydrophobicContact CD1-CG1 4.32Å; L130-V194 HydrophobicContact CD1-CG2 4.49Å; L130-V194 HydrophobicContact CD2-CG2 4.29Å; C189-V194 CarbonylContact C-O 3.57Å; C189-V194 HydrophobicContact CB-CB 4.17Å; C189-V194 HydrophobicContact CB-CG1 4.33Å; C189-V194 PolarHBondContact O-N 3.47Å; C189-V194 VanDerWaalsContact O-O 3.14Å; H190-V194 PolarHBondContact CD2-O 3.49Å; H190-V194 VanDerWaalsContact CD2-O 3.3Å; H190-V194 PolarHBondContact N-O 2.89Å; N192-V194 VanDerWaalsContact C-N 3.31Å; N192-V194 PolarHBondContact O-N 2.8Å; V194-F217 HydrophobicContact CG1-CD1 4.5Å; V194-N221 WeakPolarHBondContact CA-O 3.44Å; V194-L222 HydrophobicContact CG2-CD2 3.98Å
195	V	96.8	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.8	166.9	-73.4	0	0	0	0	110.5	R197 S220 N221 Y223 L229 P252 D255	V195-R197 HydrophobicContact CB-CG 4.27Å; V195-R197 HydrophobicContact CG2-CG 4Å; V195-S220 CarbonylContact O-C 3.47Å; V195-S220 VanDerWaalsContact O-CA 3.22Å; V195-S220 WeakPolarHBondContact O-CA 3.34Å; V195-S220 VanDerWaalsContact O-CB 3.25Å; V195-S220 WeakPolarHBondContact O-CB 3.17Å; V195-N221 PolarHBondContact N-O 3.07Å; V195-N221 PolarHBondContact O-N 3.18Å; V195-Y223 HydrophobicContact CG1-CD1 3.56Å; V195-Y223 HydrophobicContact CG1-CE1 3.99Å; V195-Y223 HydrophobicContact CG1-CG 4.01Å; V195-L229 HydrophobicContact CG2-CD1 3.9Å; V195-P252 HydrophobicContact CG1-CG 3.99Å; V195-D255 WeakPolarHBondContact CA-OD2 3.39Å
196	H	96.8	Very high	95.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	11%	0.113	C	C	.	.			trans	-82.9	-45.1	-169	-166.9	-84.4	0	0	0	112.4	D198 L199 I214 A215 F217 S220 D255	H196-D198 PolarHBondContact CE1-O 3.13Å; H196-D198 VanDerWaalsContact ND1-C 3.33Å; H196-D198 PolarHBondContact ND1-O 3.41Å; H196-D198 PolarHBondContact O-N 3.39Å; H196-L199 HydrophobicContact CB-CD1 4.34Å; H196-L199 HydrophobicContact CB-CD2 3.94Å; H196-L199 HydrophobicContact CB-CG 3.84Å; H196-L199 PolarHBondContact ND1-N 3.17Å; H196-I214 WeakPolarHBondContact NE2-CG2 3.38Å; H196-A215 PolarHBondContact NE2-O 3.07Å; H196-F217 AromaticContact CD2-CD1 3.86Å; H196-F217 AromaticContact CD2-CE1 3.65Å; H196-F217 AromaticContact CD2-CZ 3.87Å; H196-S220 WeakPolarHBondContact CA-OG 3.44Å; H196-S220 WeakPolarHBondContact O-CA 3.39Å; H196-S220 PolarHBondContact O-N 2.84Å; H196-S220 PolarHBondContact O-OG 2.7Å; H196-S220 VanDerWaalsContact O-OG 3.06Å; H196-D255 PolarHBondContact N-OD1 3.41Å; H196-D255 PolarHBondContact N-OD2 3.07Å
197	R	95.9	Very high	95.2	Very high	25 Å²	25	23.7 Å²	23.7	9%	0.094	12%	0.118	C	C	.	.	S	Bend	trans	63.6	-8	175.8	-50	-167.9	-60.5	172.8	3	117.4	V195 L219 Y249 V254 D255	V195-R197 HydrophobicContact CB-CG 4.27Å; V195-R197 HydrophobicContact CG2-CG 4Å; R197-L219 VanDerWaalsContact CZ-O 3.25Å; R197-L219 PolarHBondContact NE-O 2.78Å; R197-L219 PolarHBondContact NH2-O 3.34Å; R197-Y249 WeakPolarHBondContact CD-OH 3.3Å; R197-Y249 PolarHBondContact NH1-OH 3.49Å; R197-V254 HydrophobicContact CG-CG2 4.29Å; R197-D255 PolarHBondContact N-OD1 3.17Å
198	D	94.6	Very high	95.1	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.07	15%	0.146	C	C	.	.			trans	-134.8	51.3	173.2	-167.2	38.9	0	0	0	111.5	H196 K200 N203 L219 G234 S235	H196-D198 PolarHBondContact CE1-O 3.13Å; H196-D198 VanDerWaalsContact ND1-C 3.33Å; H196-D198 PolarHBondContact ND1-O 3.41Å; H196-D198 PolarHBondContact O-N 3.39Å; D198-K200 PolarHBondContact O-N 3.42Å; D198-K200 IonicContact OD1-NZ 3.59Å; D198-K200 PolarHBondContact OD1-NZ 2.88Å; D198-K200 IonicContact OD2-NZ 3.94Å; D198-K200 PolarHBondContact OD2-NZ 2.8Å; D198-N203 PolarHBondContact O-ND2 3.18Å; D198-N203 PolarHBondContact OD2-ND2 2.95Å; D198-L219 HydrophobicContact CB-CB 4.11Å; D198-L219 HydrophobicContact CB-CD1 3.9Å; D198-G234 WeakPolarHBondContact OD1-CA 3.47Å; D198-S235 PolarHBondContact OD1-N 3.24Å; D198-S235 VanDerWaalsContact OD1-N 3.12Å
199	L	96.3	Very high	95	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.169	C	C	.	.			trans	-76.6	113.6	175	-70.7	171.5	0	0	0	110.2	V186 H196 I214 Y238 D255 A258 L259	V186-L199 HydrophobicContact CG1-CD1 4.12Å; V186-L199 HydrophobicContact CG2-CD1 3.67Å; V186-L199 HydrophobicContact CG2-CD2 3.89Å; V186-L199 HydrophobicContact CG2-CG 4.46Å; H196-L199 HydrophobicContact CB-CD1 4.34Å; H196-L199 HydrophobicContact CB-CD2 3.94Å; H196-L199 HydrophobicContact CB-CG 3.84Å; H196-L199 PolarHBondContact ND1-N 3.17Å; L199-I214 HydrophobicContact CD2-CD1 4.2Å; L199-I214 HydrophobicContact CD2-CG2 4.41Å; L199-Y238 WeakPolarHBondContact O-CD1 3.26Å; L199-D255 HydrophobicContact CD1-CB 3.77Å; L199-A258 HydrophobicContact CB-CB 3.85Å; L199-L259 HydrophobicContact CD1-CG 4.3Å
200	K	93.6	Very high	94.9	Very high	26 Å²	26	35.5 Å²	35.5	11%	0.113	18%	0.181	C	C	.	.			trans	-151.7	160.3	178.6	57.5	172	176	-104.2	0	111.6	D198 E202 N203 V204 S235 Y238	D198-K200 PolarHBondContact O-N 3.42Å; D198-K200 IonicContact OD1-NZ 3.59Å; D198-K200 PolarHBondContact OD1-NZ 2.88Å; D198-K200 IonicContact OD2-NZ 3.94Å; D198-K200 PolarHBondContact OD2-NZ 2.8Å; K200-E202 WeakPolarHBondContact CB-OE2 3.32Å; K200-E202 HydrophobicContact CD-CB 4.11Å; K200-E202 HydrophobicContact CD-CG 4.47Å; K200-E202 HydrophobicContact CG-CB 4.29Å; K200-E202 PolarHBondContact O-N 3.45Å; K200-N203 WeakPolarHBondContact CE-OD1 3.41Å; K200-N203 HydrophobicContact CG-CB 3.98Å; K200-N203 PolarHBondContact O-N 3.37Å; K200-V204 WeakPolarHBondContact O-CG2 3.33Å; K200-V204 PolarHBondContact O-N 3.16Å; K200-S235 PolarHBondContact NZ-OG 3.02Å; K200-Y238 HydrophobicContact CB-CD1 4.17Å; K200-Y238 HydrophobicContact CB-CD2 3.66Å; K200-Y238 HydrophobicContact CB-CE1 3.88Å; K200-Y238 HydrophobicContact CB-CE2 3.31Å; K200-Y238 HydrophobicContact CB-CG 4.06Å; K200-Y238 HydrophobicContact CD-CE2 4.41Å
201	L	90	Very high	95	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.9	-27.7	-177.6	-68.1	174	0	0	0	113.3	L160 Y161 I164 V204 Y238 L262 T265 L266	L160-L201 HydrophobicContact CD2-CD2 3.88Å; L160-L201 HydrophobicContact CG-CD2 4.21Å; Y161-L201 HydrophobicContact CD2-CB 4.1Å; Y161-L201 HydrophobicContact CD2-CD1 4.1Å; I164-L201 HydrophobicContact CD1-CD1 3.81Å; I164-L201 HydrophobicContact CD1-CD2 3.79Å; I164-L201 HydrophobicContact CD1-CG 4.4Å; L201-V204 PolarHBondContact O-N 2.94Å; L201-Y238 PolarHBondContact N-OH 2.93Å; L201-Y238 VanDerWaalsContact N-OH 3.13Å; L201-L262 HydrophobicContact CD2-CD1 4.23Å; L201-L262 HydrophobicContact CD2-CD2 4.25Å; L201-L262 HydrophobicContact CD2-CG 3.87Å; L201-L262 HydrophobicContact CG-CG 4.45Å; L201-T265 HydrophobicContact CD1-CG2 3.68Å; L201-L266 HydrophobicContact CD2-CD2 4.13Å
202	E	89.9	Confident	95.1	Very high	71 Å²	71	30.9 Å²	30.9	33%	0.332	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-72.5	-27.9	177.3	-53.2	95.1	112.8	0	0	112.5	K200 V204 Y238	K200-E202 WeakPolarHBondContact CB-OE2 3.32Å; K200-E202 HydrophobicContact CD-CB 4.11Å; K200-E202 HydrophobicContact CD-CG 4.47Å; K200-E202 HydrophobicContact CG-CB 4.29Å; K200-E202 PolarHBondContact O-N 3.45Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-Y238 PolarHBondContact OE2-OH 3.17Å
203	N	93.6	Very high	95.3	Very high	18 Å²	18	27.5 Å²	27.5	10%	0.096	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-92.8	4.9	175.9	-68.8	-1.9	0	0	0	112.2	D198 K200 A215	D198-N203 PolarHBondContact O-ND2 3.18Å; D198-N203 PolarHBondContact OD2-ND2 2.95Å; K200-N203 WeakPolarHBondContact CE-OD1 3.41Å; K200-N203 HydrophobicContact CG-CB 3.98Å; K200-N203 PolarHBondContact O-N 3.37Å; N203-A215 PolarHBondContact O-N 3.29Å
204	V	96.4	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.7	179.7	175.3	0	0	0	0	108.7	L160 I182 K200 L201 E202 I212 L262	L160-V204 HydrophobicContact CB-CB 4.33Å; L160-V204 HydrophobicContact CB-CG1 3.98Å; L160-V204 VanDerWaalsContact CB-O 3.24Å; L160-V204 WeakPolarHBondContact CB-O 3.41Å; L160-V204 HydrophobicContact CD2-CB 4.36Å; L160-V204 HydrophobicContact CD2-CG1 3.6Å; L160-V204 HydrophobicContact CG-CG1 4.45Å; L160-V204 PolarHBondContact N-O 2.87Å; I182-V204 HydrophobicContact CD1-CG1 4.16Å; I182-V204 HydrophobicContact CG1-CG1 4.29Å; K200-V204 WeakPolarHBondContact O-CG2 3.33Å; K200-V204 PolarHBondContact O-N 3.16Å; L201-V204 PolarHBondContact O-N 2.94Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-I212 HydrophobicContact CG1-CD1 3.6Å; V204-I212 HydrophobicContact CG1-CG2 4.06Å; V204-L262 HydrophobicContact CG2-CD1 4.31Å
205	L	97	Very high	95.2	Very high	39 Å²	39	27.4 Å²	27.4	20%	0.204	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	166.9	-176.1	-50.5	-179.5	0	0	0	111.8	I136 A155 G158 E159 I212 K213 A215	I136-L205 HydrophobicContact CD1-CD1 4.49Å; A155-L205 HydrophobicContact CB-CB 3.54Å; A155-L205 HydrophobicContact CB-CD1 3.98Å; A155-L205 HydrophobicContact CB-CG 4.42Å; G158-L205 CarbonylContact O-C 3.6Å; G158-L205 VanDerWaalsContact O-CA 3.24Å; G158-L205 WeakPolarHBondContact O-CA 3.27Å; E159-L205 HydrophobicContact CG-CD2 4.06Å; L205-I212 CarbonylContact O-C 3.27Å; L205-I212 WeakPolarHBondContact O-CA 3.45Å; L205-K213 HydrophobicContact CB-CB 4.28Å; L205-K213 PolarHBondContact N-O 2.81Å; L205-K213 PolarHBondContact O-N 2.82Å; L205-A215 HydrophobicContact CD1-CB 3.87Å; L205-A215 HydrophobicContact CG-CB 4.13Å
206	L	96.9	Very high	94.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130	176.5	-69.5	173.3	0	0	0	111.7	A155 S156 K157 G158 L160 Y163 F178 N211 I212	A155-L206 CarbonylContact C-O 3.54Å; A155-L206 VanDerWaalsContact C-O 3.27Å; A155-L206 WeakPolarHBondContact CB-O 3.27Å; S156-L206 PolarHBondContact N-O 2.84Å; K157-L206 HydrophobicContact CB-CB 3.61Å; K157-L206 WeakPolarHBondContact CB-O 3.47Å; K157-L206 PolarHBondContact N-O 2.88Å; G158-L206 PolarHBondContact O-N 2.9Å; L160-L206 HydrophobicContact CD1-CD1 4.08Å; L160-L206 HydrophobicContact CD1-CD2 4.36Å; L160-L206 HydrophobicContact CD1-CG 4.41Å; Y163-L206 HydrophobicContact CD1-CD1 4.4Å; Y163-L206 HydrophobicContact CD2-CD1 3.54Å; Y163-L206 HydrophobicContact CE2-CD1 4.2Å; Y163-L206 HydrophobicContact CG-CD1 3.66Å; F178-L206 HydrophobicContact CD1-CD2 4.28Å; F178-L206 HydrophobicContact CE1-CD2 3.87Å; L206-N211 CarbonylContact C-O 3.58Å; L206-N211 WeakPolarHBondContact CA-O 3.43Å; L206-I212 HydrophobicContact CD2-CD1 3.99Å
207	D	95.6	Very high	94.5	Very high	22 Å²	22	30.9 Å²	30.9	12%	0.118	16%	0.159	C	C	.	.			trans	-76.4	175.8	173.1	79	12.4	0	0	0	112.7	K157 N209 C210 N211 K213	K157-D207 WeakPolarHBondContact CG-O 3.5Å; D207-N209 PolarHBondContact O-N 3.44Å; D207-N209 VanDerWaalsContact O-N 3.1Å; D207-N209 WeakPolarHBondContact OD1-CA 3.03Å; D207-N209 WeakPolarHBondContact OD1-CB 3.43Å; D207-N209 PolarHBondContact OD1-N 3Å; D207-C210 WeakPolarHBondContact O-CA 3.17Å; D207-C210 PolarHBondContact O-N 2.96Å; D207-C210 PolarHBondContact OD1-N 2.88Å; D207-C210 VanDerWaalsContact OD1-N 3.14Å; D207-N211 PolarHBondContact N-O 3.1Å; D207-N211 PolarHBondContact OD1-N 3.42Å; D207-N211 PolarHBondContact OD1-ND2 3.05Å; D207-N211 WeakPolarHBondContact OD2-CB 3.45Å; D207-N211 PolarHBondContact OD2-ND2 3.36Å; D207-K213 HydrophobicContact CB-CG 4.18Å
208	E	94.2	Very high	94.1	Very high	135 Å²	135	31 Å²	31	63%	0.631	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.7	-178.4	71.8	-168.8	176.7	0	0	113.8	S156 K157 C210	S156-E208 VanDerWaalsContact OG-CA 3.28Å; S156-E208 WeakPolarHBondContact OG-CA 3.42Å; S156-E208 WeakPolarHBondContact OG-CB 3.38Å; S156-E208 PolarHBondContact OG-N 2.69Å; K157-E208 WeakPolarHBondContact CE-O 3.29Å; E208-C210 VanDerWaalsContact C-N 3.35Å
209	N	94.9	Very high	93.8	Very high	109 Å²	109	33.6 Å²	33.6	58%	0.583	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	9	-178.4	-60	-70.3	0	0	0	111.9	D207 N211	D207-N209 PolarHBondContact O-N 3.44Å; D207-N209 VanDerWaalsContact O-N 3.1Å; D207-N209 WeakPolarHBondContact OD1-CA 3.03Å; D207-N209 WeakPolarHBondContact OD1-CB 3.43Å; D207-N209 PolarHBondContact OD1-N 3Å; N209-N211 VanDerWaalsContact C-N 3.33Å; N209-N211 PolarHBondContact O-N 3Å
210	C	94.4	Very high	93.6	Very high	39 Å²	39	33.9 Å²	33.9	26%	0.264	18%	0.184	S	C	.	.	S	Bend	trans	61.6	29.5	-174.5	-58.9	0	0	0	0	114.6	F178 D207 E208	F178-C210 WeakPolarHBondContact CE1-O 3.48Å; D207-C210 WeakPolarHBondContact O-CA 3.17Å; D207-C210 PolarHBondContact O-N 2.96Å; D207-C210 PolarHBondContact OD1-N 2.88Å; D207-C210 VanDerWaalsContact OD1-N 3.14Å; E208-C210 VanDerWaalsContact C-N 3.35Å
211	N	96.7	Very high	93.7	Very high	44 Å²	44	33.7 Å²	33.7	24%	0.235	18%	0.184	C	C	.	.			trans	-84.5	149.8	166.3	-52.6	-80.7	0	0	0	111.6	Q181 L206 D207 N209	Q181-N211 PolarHBondContact NE2-OD1 3.46Å; L206-N211 CarbonylContact C-O 3.58Å; L206-N211 WeakPolarHBondContact CA-O 3.43Å; D207-N211 PolarHBondContact N-O 3.1Å; D207-N211 PolarHBondContact OD1-N 3.42Å; D207-N211 PolarHBondContact OD1-ND2 3.05Å; D207-N211 WeakPolarHBondContact OD2-CB 3.45Å; D207-N211 PolarHBondContact OD2-ND2 3.36Å; N209-N211 VanDerWaalsContact C-N 3.33Å; N209-N211 PolarHBondContact O-N 3Å
212	I	97.9	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	139.7	171.9	-65.1	-66.2	0	0	0	111.9	H134 L160 F178 Q181 I182 V204 L205 L206 I214	H134-I212 VanDerWaalsContact CA-O 3.25Å; H134-I212 WeakPolarHBondContact CA-O 3.35Å; H134-I212 HydrophobicContact CB-CG2 4.29Å; H134-I212 WeakPolarHBondContact CB-O 3.48Å; H134-I212 PolarHBondContact ND1-O 2.82Å; L160-I212 HydrophobicContact CD2-CD1 3.8Å; F178-I212 HydrophobicContact CB-CD1 4Å; F178-I212 HydrophobicContact CB-CG1 4.19Å; F178-I212 HydrophobicContact CD1-CD1 3.88Å; F178-I212 HydrophobicContact CD1-CG1 4.01Å; F178-I212 HydrophobicContact CG-CD1 4.21Å; Q181-I212 HydrophobicContact CB-CB 3.72Å; Q181-I212 HydrophobicContact CB-CG1 3.81Å; Q181-I212 HydrophobicContact CB-CG2 4.34Å; I182-I212 HydrophobicContact CD1-CD1 4.18Å; I182-I212 HydrophobicContact CG1-CB 4.46Å; I182-I212 HydrophobicContact CG1-CD1 4.03Å; I182-I212 HydrophobicContact CG1-CG1 4.03Å; I182-I212 HydrophobicContact CG1-CG2 3.67Å; V204-I212 HydrophobicContact CG1-CD1 3.6Å; V204-I212 HydrophobicContact CG1-CG2 4.06Å; L205-I212 CarbonylContact O-C 3.27Å; L205-I212 WeakPolarHBondContact O-CA 3.45Å; L206-I212 HydrophobicContact CD2-CD1 3.99Å; I212-I214 HydrophobicContact CG2-CG1 4.32Å
213	K	97.8	Very high	93.9	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	105.9	168.8	-66	-65.7	-170.8	167.6	0	109.6	P133 I136 E153 A155 L205 D207	P133-K213 WeakPolarHBondContact O-CE 3.18Å; P133-K213 PolarHBondContact O-NZ 3.44Å; I136-K213 HydrophobicContact CD1-CB 3.71Å; I136-K213 HydrophobicContact CD1-CD 4.46Å; I136-K213 HydrophobicContact CD1-CG 4.16Å; I136-K213 HydrophobicContact CG1-CB 4.08Å; E153-K213 WeakPolarHBondContact OE1-CE 3.32Å; E153-K213 IonicContact OE1-NZ 3.58Å; E153-K213 PolarHBondContact OE1-NZ 3.06Å; E153-K213 WeakPolarHBondContact OE2-CE 3.47Å; E153-K213 IonicContact OE2-NZ 2.71Å; E153-K213 PolarHBondContact OE2-NZ 3.27Å; A155-K213 HydrophobicContact CB-CB 4.38Å; A155-K213 HydrophobicContact CB-CG 4.38Å; L205-K213 HydrophobicContact CB-CB 4.28Å; L205-K213 PolarHBondContact N-O 2.81Å; L205-K213 PolarHBondContact O-N 2.82Å; D207-K213 HydrophobicContact CB-CG 4.18Å
214	I	97.4	Very high	93.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135	172.5	-57.6	-170.2	0	0	0	109.7	H134 I136 I182 A185 V186 H196 L199 I212 F217	H134-I214 PolarHBondContact O-N 3.38Å; I136-I214 PolarHBondContact N-O 2.92Å; I182-I214 HydrophobicContact CG2-CD1 4.13Å; A185-I214 HydrophobicContact CB-CD1 3.55Å; A185-I214 HydrophobicContact CB-CG1 4.06Å; V186-I214 HydrophobicContact CG2-CD1 3.88Å; H196-I214 WeakPolarHBondContact NE2-CG2 3.38Å; L199-I214 HydrophobicContact CD2-CD1 4.2Å; L199-I214 HydrophobicContact CD2-CG2 4.41Å; I212-I214 HydrophobicContact CG2-CG1 4.32Å; I214-F217 HydrophobicContact CG2-CE2 4.3Å; I214-F217 HydrophobicContact CG2-CZ 4.32Å
215	A	93.6	Very high	93.2	Very high	17 Å²	17	48.5 Å²	48.5	14%	0.14	25%	0.251	C	S	.	.			trans	-132.1	171.6	-177.5	0	0	0	0	0	111.8	I136 H196 N203 L205	I136-A215 HydrophobicContact CG1-CB 3.89Å; H196-A215 PolarHBondContact NE2-O 3.07Å; N203-A215 PolarHBondContact O-N 3.29Å; L205-A215 HydrophobicContact CD1-CB 3.87Å; L205-A215 HydrophobicContact CG-CB 4.13Å
216	D	86.7	Confident	92.8	Very high	73 Å²	73	54.1 Å²	54.1	39%	0.39	28%	0.281	S	S	.	.			trans	55.2	76.9	178.6	-149.7	-11.5	0	0	0	116.6	K104 G218	K104-D216 IonicContact NZ-OD1 3.9Å; D216-G218 PolarHBondContact O-N 3.37Å; D216-G218 PolarHBondContact OD1-N 3.44Å; D216-G218 VanDerWaalsContact OD1-N 3.1Å
217	F	91.6	Very high	92.6	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-80.8	15.7	172	-70.2	-105.5	0	0	0	112.8	E123 I126 M127 L130 I135 V194 H196 I214 L219 S220	E123-F217 HydrophobicContact CG-CB 4.34Å; I126-F217 HydrophobicContact CG2-CB 4.41Å; I126-F217 HydrophobicContact CG2-CD1 3.7Å; I126-F217 HydrophobicContact CG2-CE1 4.39Å; I126-F217 HydrophobicContact CG2-CG 4.33Å; M127-F217 HydrophobicContact CE-CD2 4.17Å; M127-F217 HydrophobicContact CG-CB 3.71Å; M127-F217 HydrophobicContact CG-CD2 3.61Å; M127-F217 HydrophobicContact CG-CE2 4.44Å; M127-F217 HydrophobicContact CG-CG 3.73Å; M127-F217 HydrophobicContact SD-CB 4.06Å; M127-F217 HydrophobicContact SD-CD2 3.86Å; M127-F217 HydrophobicContact SD-CG 4.32Å; L130-F217 HydrophobicContact CD1-CD1 4.01Å; L130-F217 HydrophobicContact CD1-CE1 3.37Å; L130-F217 HydrophobicContact CD1-CZ 3.87Å; I135-F217 HydrophobicContact CD1-CZ 4.31Å; I135-F217 HydrophobicContact CG2-CE2 3.75Å; I135-F217 HydrophobicContact CG2-CZ 3.76Å; V194-F217 HydrophobicContact CG1-CD1 4.5Å; H196-F217 AromaticContact CD2-CD1 3.86Å; H196-F217 AromaticContact CD2-CE1 3.65Å; H196-F217 AromaticContact CD2-CZ 3.87Å; I214-F217 HydrophobicContact CG2-CE2 4.3Å; I214-F217 HydrophobicContact CG2-CZ 4.32Å; F217-L219 PolarHBondContact O-N 3.46Å; F217-L219 VanDerWaalsContact O-N 3.16Å; F217-S220 VanDerWaalsContact CA-OG 3.27Å; F217-S220 WeakPolarHBondContact CA-OG 3.39Å; F217-S220 WeakPolarHBondContact CB-OG 3.46Å; F217-S220 WeakPolarHBondContact CD1-OG 3.21Å; F217-S220 VanDerWaalsContact O-CB 3.27Å; F217-S220 WeakPolarHBondContact O-CB 3.3Å; F217-S220 PolarHBondContact O-N 2.86Å; F217-S220 PolarHBondContact O-OG 3Å
218	G	87.2	Confident	92.6	Very high	28 Å²	28	63.9 Å²	63.9	29%	0.289	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.2	-22.6	-175.2	0	0	0	0	0	114.8	D216	D216-G218 PolarHBondContact O-N 3.37Å; D216-G218 PolarHBondContact OD1-N 3.44Å; D216-G218 VanDerWaalsContact OD1-N 3.1Å
219	L	87.5	Confident	92.6	Very high	68 Å²	68	58.4 Å²	58.4	36%	0.356	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-104.9	0.7	172.8	-65.9	179.6	0	0	0	113.6	R197 D198 F217 C233	R197-L219 VanDerWaalsContact CZ-O 3.25Å; R197-L219 PolarHBondContact NE-O 2.78Å; R197-L219 PolarHBondContact NH2-O 3.34Å; D198-L219 HydrophobicContact CB-CB 4.11Å; D198-L219 HydrophobicContact CB-CD1 3.9Å; F217-L219 PolarHBondContact O-N 3.46Å; F217-L219 VanDerWaalsContact O-N 3.16Å; L219-C233 HydrophobicContact CD1-CB 4.39Å; L219-C233 HydrophobicContact CD2-CB 4.33Å
220	S	93.5	Very high	92.6	Very high	7 Å²	7	59.8 Å²	59.8	5%	0.049	30%	0.304	C	S	.	.			trans	-70.5	159.8	179.9	-57.1	0	0	0	0	112.5	V195 H196 F217	V195-S220 CarbonylContact O-C 3.47Å; V195-S220 VanDerWaalsContact O-CA 3.22Å; V195-S220 WeakPolarHBondContact O-CA 3.34Å; V195-S220 VanDerWaalsContact O-CB 3.25Å; V195-S220 WeakPolarHBondContact O-CB 3.17Å; H196-S220 WeakPolarHBondContact CA-OG 3.44Å; H196-S220 WeakPolarHBondContact O-CA 3.39Å; H196-S220 PolarHBondContact O-N 2.84Å; H196-S220 PolarHBondContact O-OG 2.7Å; H196-S220 VanDerWaalsContact O-OG 3.06Å; F217-S220 VanDerWaalsContact CA-OG 3.27Å; F217-S220 WeakPolarHBondContact CA-OG 3.39Å; F217-S220 WeakPolarHBondContact CB-OG 3.46Å; F217-S220 WeakPolarHBondContact CD1-OG 3.21Å; F217-S220 VanDerWaalsContact O-CB 3.27Å; F217-S220 WeakPolarHBondContact O-CB 3.3Å; F217-S220 PolarHBondContact O-N 2.86Å; F217-S220 PolarHBondContact O-OG 3Å
221	N	93.8	Very high	92.4	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.118	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.6	177.8	-157	22.3	0	0	0	112.2	R122 V194 V195 L229	R122-N221 VanDerWaalsContact CD-OD1 3.27Å; R122-N221 WeakPolarHBondContact CD-OD1 3.42Å; R122-N221 PolarHBondContact NH1-OD1 3.25Å; V194-N221 WeakPolarHBondContact CA-O 3.44Å; V195-N221 PolarHBondContact N-O 3.07Å; V195-N221 PolarHBondContact O-N 3.18Å; N221-L229 VanDerWaalsContact ND2-CD2 3.27Å; N221-L229 WeakPolarHBondContact ND2-CD2 3.35Å
222	L	93.1	Very high	92.3	Very high	81 Å²	81	64 Å²	64	42%	0.424	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.5	162.5	-59.5	179.6	0	0	0	109.7	I126 G193 V194	I126-L222 HydrophobicContact CG1-CD2 4.37Å; G193-L222 CarbonylContact O-C 3.56Å; G193-L222 VanDerWaalsContact O-CA 3.28Å; G193-L222 WeakPolarHBondContact O-CA 3.4Å; V194-L222 HydrophobicContact CG2-CD2 3.98Å
223	Y	92.9	Very high	92	Very high	46 Å²	46	65.1 Å²	65.1	18%	0.18	33%	0.33	C	S	.	.			trans	-126.6	156.2	173.4	82.7	-79.2	0	0	0	111.6	H190 G193 V195 H250 P252	H190-Y223 PolarHBondContact O-OH 3.1Å; H190-Y223 VanDerWaalsContact O-OH 3.12Å; G193-Y223 VanDerWaalsContact C-CE1 3.5Å; G193-Y223 VanDerWaalsContact O-CD1 3.23Å; G193-Y223 WeakPolarHBondContact O-CD1 3.28Å; G193-Y223 PolarHBondContact O-N 2.71Å; V195-Y223 HydrophobicContact CG1-CD1 3.56Å; V195-Y223 HydrophobicContact CG1-CE1 3.99Å; V195-Y223 HydrophobicContact CG1-CG 4.01Å; Y223-H250 WeakPolarHBondContact CB-O 3.17Å; Y223-P252 HydrophobicContact CD1-CG 4.48Å; Y223-P252 HydrophobicContact CD2-CG 3.87Å; Y223-P252 HydrophobicContact CE1-CG 4.05Å; Y223-P252 HydrophobicContact CE2-CG 3.37Å; Y223-P252 HydrophobicContact CG-CG 4.4Å; Y223-P252 VanDerWaalsContact CZ-CG 3.47Å
224	H	89.8	Confident	91.6	Very high	103 Å²	103	65.8 Å²	65.8	48%	0.477	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-137.4	144.9	175.5	-56.3	-62.8	0	0	0	108.5	D226 K227	H224-D226 PolarHBondContact O-N 2.58Å; H224-K227 HydrophobicContact CB-CB 4.4Å; H224-K227 PolarHBondContact O-N 3.29Å; H224-K227 VanDerWaalsContact O-O 3.04Å
225	K	84.5	Confident	91.4	Very high	171 Å²	171	67.4 Å²	67.4	74%	0.743	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-35.4	-177.2	-64.5	-174.2	177.9	-175.4	0	112.1	K227 H250	K225-K227 VanDerWaalsContact C-N 3.35Å; K225-K227 PolarHBondContact O-N 2.84Å; K225-H250 PolarHBondContact O-CE1 2.88Å; K225-H250 PolarHBondContact O-ND1 3.02Å; K225-H250 VanDerWaalsContact O-ND1 3.12Å
226	D	89.3	Confident	91.3	Very high	157 Å²	157	69.9 Å²	69.9	84%	0.84	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	9.2	-174.8	-34.4	-77.9	0	0	0	113.8	H224	H224-D226 PolarHBondContact O-N 2.58Å
227	K	93	Very high	91.7	Very high	141 Å²	141	68.9 Å²	68.9	61%	0.613	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-136.8	133.8	-179.4	-65.7	-172.6	179	-179.9	0	111.8	H224 K225	H224-K227 HydrophobicContact CB-CB 4.4Å; H224-K227 PolarHBondContact O-N 3.29Å; H224-K227 VanDerWaalsContact O-O 3.04Å; K225-K227 VanDerWaalsContact C-N 3.35Å; K225-K227 PolarHBondContact O-N 2.84Å
228	L	95.1	Very high	92	Very high	87 Å²	87	69.5 Å²	69.5	46%	0.455	36%	0.363	S	S	.	.			trans	-91.8	140.9	173.9	-60.1	173.8	0	0	0	110.9	P248 Y249	L228-P248 HydrophobicContact CB-CB 3.9Å; L228-P248 HydrophobicContact CD1-CB 3.92Å; L228-P248 HydrophobicContact CG-CB 4.48Å; L228-Y249 CarbonylContact C-O 3.53Å; L228-Y249 WeakPolarHBondContact CA-O 3.48Å
229	L	94.3	Very high	92.4	Very high	19 Å²	19	68.7 Å²	68.7	10%	0.099	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-83.9	141.7	168.4	-62	177.1	0	0	0	109.5	V195 N221 P248 Y249	V195-L229 HydrophobicContact CG2-CD1 3.9Å; N221-L229 VanDerWaalsContact ND2-CD2 3.27Å; N221-L229 WeakPolarHBondContact ND2-CD2 3.35Å; L229-P248 WeakPolarHBondContact O-CA 3.44Å; L229-Y249 HydrophobicContact CB-CD1 4.3Å; L229-Y249 HydrophobicContact CB-CD2 4.06Å; L229-Y249 HydrophobicContact CB-CE1 3.87Å; L229-Y249 HydrophobicContact CB-CE2 3.6Å; L229-Y249 HydrophobicContact CB-CG 4.38Å; L229-Y249 VanDerWaalsContact CB-CZ 3.49Å; L229-Y249 HydrophobicContact CD1-CD2 4.33Å; L229-Y249 HydrophobicContact CD1-CE2 3.64Å; L229-Y249 HydrophobicContact CG-CE2 4.23Å; L229-Y249 PolarHBondContact N-O 3.44Å; L229-Y249 VanDerWaalsContact O-CD1 3.28Å; L229-Y249 WeakPolarHBondContact O-CD1 3.35Å; L229-Y249 WeakPolarHBondContact O-CE1 3.01Å; L229-Y249 PolarHBondContact O-N 3.2Å
230	Q	93.8	Very high	92.9	Very high	138 Å²	138	65.5 Å²	65.5	65%	0.645	34%	0.337	S	S	*	.			trans	-126.3	5.3	-177.7	-60.8	-176.2	-15.3	0	0	112.9	F232 P248	Q230-F232 VanDerWaalsContact O-CE2 3.26Å; Q230-F232 WeakPolarHBondContact O-CE2 3.25Å; Q230-F232 WeakPolarHBondContact O-CZ 3.42Å; Q230-P248 HydrophobicContact CG-CB 4.08Å; Q230-P248 HydrophobicContact CG-CG 4.08Å
231	T	91.8	Very high	93.1	Very high	79 Å²	79	65.5 Å²	65.5	49%	0.485	34%	0.337	S	S	.	.			trans	-86.1	114.7	173.9	-37.1	0	0	0	0	109.3	C233 Y249	T231-C233 HydrophobicContact CG2-CB 4.47Å; T231-Y249 WeakPolarHBondContact O-CE1 3Å; T231-Y249 PolarHBondContact O-OH 2.77Å
232	F	92.8	Very high	93.3	Very high	93 Å²	93	65 Å²	65	41%	0.408	33%	0.334	S	S	.	.			trans	-92.2	106.1	177.1	-47.3	-59.8	0	0	0	108.8	Q230 I243 G246 R247 Y249	Q230-F232 VanDerWaalsContact O-CE2 3.26Å; Q230-F232 WeakPolarHBondContact O-CE2 3.25Å; Q230-F232 WeakPolarHBondContact O-CZ 3.42Å; F232-I243 HydrophobicContact CB-CG2 4.32Å; F232-I243 HydrophobicContact CD1-CD1 4.29Å; F232-G246 VanDerWaalsContact CE1-C 3.44Å; F232-G246 WeakPolarHBondContact CZ-O 3.36Å; F232-R247 WeakPolarHBondContact CE1-O 3.41Å; F232-Y249 HydrophobicContact CD1-CD1 4.44Å; F232-Y249 HydrophobicContact CD1-CE1 4.11Å; F232-Y249 HydrophobicContact CE1-CD1 4.16Å; F232-Y249 HydrophobicContact CE1-CE1 4.14Å
233	C	91.4	Very high	93.5	Very high	24 Å²	24	62 Å²	62	16%	0.162	32%	0.318	C	S	.	.			trans	-146.4	171.6	-170	63	0	0	0	0	112	L219 T231	L219-C233 HydrophobicContact CD1-CB 4.39Å; L219-C233 HydrophobicContact CD2-CB 4.33Å; T231-C233 HydrophobicContact CG2-CB 4.47Å
234	G	90.9	Very high	93.7	Very high	26 Å²	26	61.4 Å²	61.4	27%	0.268	32%	0.319	S	S	.	.	S	Bend	trans	101.5	167.5	-177.2	0	0	0	0	0	112.6	D198	D198-G234 WeakPolarHBondContact OD1-CA 3.47Å
235	S	92.1	Very high	94	Very high	35 Å²	35	59.7 Å²	59.7	25%	0.245	31%	0.313	C	S	.	.			trans	-69.5	125.1	179.4	-74.7	0	0	0	0	112.3	D198 K200 L237 Y238 A239	D198-S235 PolarHBondContact OD1-N 3.24Å; D198-S235 VanDerWaalsContact OD1-N 3.12Å; K200-S235 PolarHBondContact NZ-OG 3.02Å; S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.24Å; S235-Y238 PolarHBondContact O-N 3.36Å; S235-A239 PolarHBondContact O-N 3.04Å
236	P	92.5	Very high	94.5	Very high	69 Å²	69	53.3 Å²	53.3	45%	0.448	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.8	-169.5	-31.4	36.2	0	0	0	117.2	Y238 A239 L281 I285	P236-Y238 PolarHBondContact O-N 3.3Å; P236-A239 PolarHBondContact O-N 3.29Å; P236-L281 HydrophobicContact CB-CD2 4.16Å; P236-I285 WeakPolarHBondContact O-CD1 3.36Å
237	L	94.6	Very high	94.9	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.267	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.4	177.3	-70.6	170.9	0	0	0	114	S235 M271 L281	S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.24Å; L237-M271 HydrophobicContact CB-CE 3.81Å; L237-M271 HydrophobicContact CD1-CE 4.38Å; L237-L281 HydrophobicContact CD2-CD1 3.86Å; L237-L281 HydrophobicContact CD2-CD2 4.05Å
238	Y	97.2	Very high	95.1	Very high	15 Å²	15	49.6 Å²	49.6	6%	0.059	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.6	177.3	-59.4	-94.9	0	0	0	112.2	L199 K200 L201 E202 S235 P236 V261 M271	L199-Y238 WeakPolarHBondContact O-CD1 3.26Å; K200-Y238 HydrophobicContact CB-CD1 4.17Å; K200-Y238 HydrophobicContact CB-CD2 3.66Å; K200-Y238 HydrophobicContact CB-CE1 3.88Å; K200-Y238 HydrophobicContact CB-CE2 3.31Å; K200-Y238 HydrophobicContact CB-CG 4.06Å; K200-Y238 HydrophobicContact CD-CE2 4.41Å; L201-Y238 PolarHBondContact N-OH 2.93Å; L201-Y238 VanDerWaalsContact N-OH 3.13Å; E202-Y238 PolarHBondContact OE2-OH 3.17Å; S235-Y238 PolarHBondContact O-N 3.36Å; P236-Y238 PolarHBondContact O-N 3.3Å; Y238-V261 HydrophobicContact CD1-CB 4Å; Y238-V261 HydrophobicContact CD1-CG1 3.5Å; Y238-V261 VanDerWaalsContact CD1-CG1 3.5Å; Y238-V261 HydrophobicContact CE1-CG1 3.9Å; Y238-V261 HydrophobicContact CG-CG1 4.16Å; Y238-M271 HydrophobicContact CE1-CE 4.21Å; Y238-M271 HydrophobicContact CE2-CE 4.15Å
239	A	97	Very high	95.1	Very high	11 Å²	11	45.7 Å²	45.7	9%	0.091	25%	0.254	C	S	.	.			trans	-70.5	144.9	-179.9	0	0	0	0	0	111.7	S235 P236 I243 V244 W257	S235-A239 PolarHBondContact O-N 3.04Å; P236-A239 PolarHBondContact O-N 3.29Å; A239-I243 HydrophobicContact CB-CB 4.31Å; A239-I243 HydrophobicContact CB-CG2 3.93Å; A239-V244 HydrophobicContact CB-CG1 3.76Å; A239-W257 PolarHBondContact O-NE1 2.96Å
240	S	97.9	Very high	95.2	Very high	1 Å²	1	49 Å²	49	1%	0.007	27%	0.269	C	S	.	.			trans	-88.1	166	-178.8	65.3	0	0	0	0	113	E242 I243 V244 W257	S240-E242 VanDerWaalsContact C-N 3.33Å; S240-E242 WeakPolarHBondContact CB-OE1 3.5Å; S240-E242 PolarHBondContact O-N 2.71Å; S240-E242 PolarHBondContact OG-OE1 2.79Å; S240-I243 PolarHBondContact O-N 2.72Å; S240-I243 WeakPolarHBondContact OG-CG1 3.18Å; S240-V244 PolarHBondContact O-N 2.75Å; S240-W257 VanDerWaalsContact CA-CD1 3.46Å
241	P	98.1	Very high	95.3	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.039	24%	0.238	C	C	.	.	H	α-helix	trans	-54.1	-45.5	-179.4	-28.1	37.1	0	0	0	113	I243 V244 N245 W257 I285 V309	P241-I243 VanDerWaalsContact C-N 3.34Å; P241-I243 PolarHBondContact O-N 3.15Å; P241-V244 WeakPolarHBondContact O-CG2 3.46Å; P241-V244 PolarHBondContact O-N 2.93Å; P241-N245 WeakPolarHBondContact O-CB 3.49Å; P241-N245 PolarHBondContact O-N 3.07Å; P241-N245 PolarHBondContact O-ND2 3.12Å; P241-W257 HydrophobicContact CG-CE3 4.15Å; P241-W257 HydrophobicContact CG-CH2 3.6Å; P241-W257 HydrophobicContact CG-CZ2 4.09Å; P241-W257 HydrophobicContact CG-CZ3 3.64Å; P241-I285 HydrophobicContact CG-CG2 4.22Å; P241-V309 HydrophobicContact CB-CG1 4.11Å; P241-V309 HydrophobicContact CG-CB 4.48Å; P241-V309 HydrophobicContact CG-CG1 4.12Å
242	E	97.9	Very high	95.6	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-36.4	176.8	58.3	-74.4	169.5	0	0	113	S240 G246 R247 V254 R314	S240-E242 VanDerWaalsContact C-N 3.33Å; S240-E242 WeakPolarHBondContact CB-OE1 3.5Å; S240-E242 PolarHBondContact O-N 2.71Å; S240-E242 PolarHBondContact OG-OE1 2.79Å; E242-G246 PolarHBondContact O-N 2.73Å; E242-R247 HydrophobicContact CB-CB 4.05Å; E242-R247 PolarHBondContact O-N 3.08Å; E242-V254 HydrophobicContact CG-CG1 4.33Å; E242-R314 IonicContact OE1-CZ 3.2Å; E242-R314 IonicContact OE1-NH1 3.12Å; E242-R314 PolarHBondContact OE1-NH1 3.26Å; E242-R314 IonicContact OE1-NH2 2.8Å; E242-R314 PolarHBondContact OE1-NH2 2.82Å; E242-R314 IonicContact OE2-CZ 2.63Å; E242-R314 IonicContact OE2-NH1 3.4Å; E242-R314 IonicContact OE2-NH2 3.95Å; E242-R314 PolarHBondContact OE2-NH2 2.88Å
243	I	97.3	Very high	95.8	Very high	17 Å²	17	36.9 Å²	36.9	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-48.6	175.1	-62.9	-68.4	0	0	0	111.5	F232 A239 S240 P241 N245 G246 Y249 V254	F232-I243 HydrophobicContact CB-CG2 4.32Å; F232-I243 HydrophobicContact CD1-CD1 4.29Å; A239-I243 HydrophobicContact CB-CB 4.31Å; A239-I243 HydrophobicContact CB-CG2 3.93Å; S240-I243 PolarHBondContact O-N 2.72Å; S240-I243 WeakPolarHBondContact OG-CG1 3.18Å; P241-I243 VanDerWaalsContact C-N 3.34Å; P241-I243 PolarHBondContact O-N 3.15Å; I243-N245 VanDerWaalsContact C-N 3.28Å; I243-N245 PolarHBondContact O-N 3.15Å; I243-G246 PolarHBondContact O-N 3Å; I243-Y249 HydrophobicContact CD1-CD1 3.74Å; I243-Y249 HydrophobicContact CD1-CD2 4.4Å; I243-Y249 HydrophobicContact CD1-CE1 3.35Å; I243-Y249 HydrophobicContact CD1-CE2 4.07Å; I243-Y249 HydrophobicContact CD1-CG 4.27Å; I243-V254 HydrophobicContact CD1-CG1 4.26Å; I243-V254 HydrophobicContact CG1-CB 4.32Å; I243-V254 HydrophobicContact CG1-CG1 4.13Å
244	V	96.7	Very high	96.1	Very high	34 Å²	34	36.1 Å²	36.1	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-72.9	-19	-177.1	-56.5	0	0	0	0	113.7	A239 S240 P241 I282 I285	A239-V244 HydrophobicContact CB-CG1 3.76Å; S240-V244 PolarHBondContact O-N 2.75Å; P241-V244 WeakPolarHBondContact O-CG2 3.46Å; P241-V244 PolarHBondContact O-N 2.93Å; V244-I282 HydrophobicContact CB-CG1 4.45Å; V244-I282 HydrophobicContact CG2-CG2 4.36Å; V244-I285 HydrophobicContact CB-CG2 4.5Å; V244-I285 HydrophobicContact CG1-CD1 4.1Å; V244-I285 HydrophobicContact CG1-CG2 4.1Å; V244-I285 HydrophobicContact CG2-CB 4.13Å; V244-I285 HydrophobicContact CG2-CG2 3.56Å
245	N	95.9	Very high	96.5	Very high	66 Å²	66	35 Å²	35	35%	0.353	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10.4	174.1	-65.9	-77	0	0	0	113.4	P241 I243 R247 S286	P241-N245 WeakPolarHBondContact O-CB 3.49Å; P241-N245 PolarHBondContact O-N 3.07Å; P241-N245 PolarHBondContact O-ND2 3.12Å; I243-N245 VanDerWaalsContact C-N 3.28Å; I243-N245 PolarHBondContact O-N 3.15Å; N245-R247 VanDerWaalsContact C-N 3.3Å; N245-R247 HydrophobicContact CB-CG 4.1Å; N245-R247 PolarHBondContact O-N 2.92Å; N245-S286 PolarHBondContact ND2-OG 3.33Å; N245-S286 PolarHBondContact OD1-OG 2.99Å
246	G	95.6	Very high	96.8	Very high	38 Å²	38	33.3 Å²	33.3	39%	0.392	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	30.9	176.9	0	0	0	0	0	114.8	F232 E242 I243	F232-G246 VanDerWaalsContact CE1-C 3.44Å; F232-G246 WeakPolarHBondContact CZ-O 3.36Å; E242-G246 PolarHBondContact O-N 2.73Å; I243-G246 PolarHBondContact O-N 3Å
247	R	96.6	Very high	97.1	Very high	157 Å²	157	30 Å²	30	59%	0.592	16%	0.16	S	C	*	.			trans	-95.8	128.9	-176	-61.4	-176.3	-177.4	-179.9	1	111	F232 E242 N245	F232-R247 WeakPolarHBondContact CE1-O 3.41Å; E242-R247 HydrophobicContact CB-CB 4.05Å; E242-R247 PolarHBondContact O-N 3.08Å; N245-R247 VanDerWaalsContact C-N 3.3Å; N245-R247 HydrophobicContact CB-CG 4.1Å; N245-R247 PolarHBondContact O-N 2.92Å
248	P	96.8	Very high	97.3	Very high	62 Å²	62	27.9 Å²	27.9	40%	0.403	15%	0.149	S	C	.	.			trans	-55.1	141.1	174.6	-26.5	35.5	0	0	0	112.8	L228 L229 Q230	L228-P248 HydrophobicContact CB-CB 3.9Å; L228-P248 HydrophobicContact CD1-CB 3.92Å; L228-P248 HydrophobicContact CG-CB 4.48Å; L229-P248 WeakPolarHBondContact O-CA 3.44Å; Q230-P248 HydrophobicContact CG-CB 4.08Å; Q230-P248 HydrophobicContact CG-CG 4.08Å
249	Y	96.8	Very high	97.3	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.02	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-141.7	155.4	-165.7	63.9	-86	0	0	0	111.4	R197 L228 L229 T231 F232 I243 E253 V254	R197-Y249 WeakPolarHBondContact CD-OH 3.3Å; R197-Y249 PolarHBondContact NH1-OH 3.49Å; L228-Y249 CarbonylContact C-O 3.53Å; L228-Y249 WeakPolarHBondContact CA-O 3.48Å; L229-Y249 HydrophobicContact CB-CD1 4.3Å; L229-Y249 HydrophobicContact CB-CD2 4.06Å; L229-Y249 HydrophobicContact CB-CE1 3.87Å; L229-Y249 HydrophobicContact CB-CE2 3.6Å; L229-Y249 HydrophobicContact CB-CG 4.38Å; L229-Y249 VanDerWaalsContact CB-CZ 3.49Å; L229-Y249 HydrophobicContact CD1-CD2 4.33Å; L229-Y249 HydrophobicContact CD1-CE2 3.64Å; L229-Y249 HydrophobicContact CG-CE2 4.23Å; L229-Y249 PolarHBondContact N-O 3.44Å; L229-Y249 VanDerWaalsContact O-CD1 3.28Å; L229-Y249 WeakPolarHBondContact O-CD1 3.35Å; L229-Y249 WeakPolarHBondContact O-CE1 3.01Å; L229-Y249 PolarHBondContact O-N 3.2Å; T231-Y249 WeakPolarHBondContact O-CE1 3Å; T231-Y249 PolarHBondContact O-OH 2.77Å; F232-Y249 HydrophobicContact CD1-CD1 4.44Å; F232-Y249 HydrophobicContact CD1-CE1 4.11Å; F232-Y249 HydrophobicContact CE1-CD1 4.16Å; F232-Y249 HydrophobicContact CE1-CE1 4.14Å; I243-Y249 HydrophobicContact CD1-CD1 3.74Å; I243-Y249 HydrophobicContact CD1-CD2 4.4Å; I243-Y249 HydrophobicContact CD1-CE1 3.35Å; I243-Y249 HydrophobicContact CD1-CE2 4.07Å; I243-Y249 HydrophobicContact CD1-CG 4.27Å; Y249-E253 WeakPolarHBondContact CB-OE1 3.02Å; Y249-V254 HydrophobicContact CD2-CG1 3.45Å; Y249-V254 VanDerWaalsContact CD2-CG1 3.45Å; Y249-V254 HydrophobicContact CE2-CG1 3.93Å; Y249-V254 HydrophobicContact CE2-CG2 4.46Å; Y249-V254 HydrophobicContact CG-CG1 4.03Å
250	H	95.6	Very high	97.4	Very high	89 Å²	89	26.6 Å²	26.6	41%	0.412	14%	0.142	S	C	.	.			trans	-79.6	-34.6	179.9	-73.7	-78.6	0	0	0	112.6	Y223 K225 E253	Y223-H250 WeakPolarHBondContact CB-O 3.17Å; K225-H250 PolarHBondContact O-CE1 2.88Å; K225-H250 PolarHBondContact O-ND1 3.02Å; K225-H250 VanDerWaalsContact O-ND1 3.12Å; H250-E253 WeakPolarHBondContact CA-OE1 3.49Å; H250-E253 PolarHBondContact N-OE1 3.34Å
251	G	95.8	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	128.4	-63.7	174.4	0	0	0	0	0	114.6	E253 V254	G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.2Å; G251-E253 PolarHBondContact N-OE2 2.89Å; G251-E253 PolarHBondContact O-N 2.91Å; G251-E253 VanDerWaalsContact O-N 3.1Å; G251-V254 WeakPolarHBondContact O-CG2 3.37Å; G251-V254 PolarHBondContact O-N 3.45Å
252	P	97.4	Very high	97.4	Very high	26 Å²	26	26.3 Å²	26.3	17%	0.169	14%	0.14	C	C	.	.	H	α-helix	trans	-54.2	-33.8	-172.7	-31	38.6	0	0	0	115	H190 V195 Y223 V254 D255 S256	H190-P252 VanDerWaalsContact CE1-CA 3.47Å; H190-P252 WeakPolarHBondContact CE1-CA 3.43Å; H190-P252 PolarHBondContact CE1-O 3.19Å; V195-P252 HydrophobicContact CG1-CG 3.99Å; Y223-P252 HydrophobicContact CD1-CG 4.48Å; Y223-P252 HydrophobicContact CD2-CG 3.87Å; Y223-P252 HydrophobicContact CE1-CG 4.05Å; Y223-P252 HydrophobicContact CE2-CG 3.37Å; Y223-P252 HydrophobicContact CG-CG 4.4Å; Y223-P252 VanDerWaalsContact CZ-CG 3.47Å; P252-V254 VanDerWaalsContact C-N 3.32Å; P252-V254 PolarHBondContact O-N 3.03Å; P252-D255 PolarHBondContact O-N 3.4Å; P252-S256 PolarHBondContact O-N 2.6Å
253	E	97.9	Very high	97.4	Very high	30 Å²	30	25.7 Å²	25.7	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-27.2	178.5	68.2	-74.7	175.5	0	0	114	Y249 H250 G251 W257 P311 R314	Y249-E253 WeakPolarHBondContact CB-OE1 3.02Å; H250-E253 WeakPolarHBondContact CA-OE1 3.49Å; H250-E253 PolarHBondContact N-OE1 3.34Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.2Å; G251-E253 PolarHBondContact N-OE2 2.89Å; G251-E253 PolarHBondContact O-N 2.91Å; G251-E253 VanDerWaalsContact O-N 3.1Å; E253-W257 PolarHBondContact O-N 3.45Å; E253-W257 VanDerWaalsContact O-N 3.16Å; E253-P311 HydrophobicContact CB-CB 3.99Å; E253-P311 HydrophobicContact CG-CB 3.76Å; E253-R314 WeakPolarHBondContact O-CD 3.49Å; E253-R314 PolarHBondContact O-NH1 3.11Å
254	V	98.2	Very high	97.3	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.048	13%	0.134	C	C	.	.	H	α-helix	trans	-76.4	-37.1	177.2	-34.9	0	0	0	0	110.5	R197 E242 I243 Y249 G251 P252 W257 A258	R197-V254 HydrophobicContact CG-CG2 4.29Å; E242-V254 HydrophobicContact CG-CG1 4.33Å; I243-V254 HydrophobicContact CD1-CG1 4.26Å; I243-V254 HydrophobicContact CG1-CB 4.32Å; I243-V254 HydrophobicContact CG1-CG1 4.13Å; Y249-V254 HydrophobicContact CD2-CG1 3.45Å; Y249-V254 VanDerWaalsContact CD2-CG1 3.45Å; Y249-V254 HydrophobicContact CE2-CG1 3.93Å; Y249-V254 HydrophobicContact CE2-CG2 4.46Å; Y249-V254 HydrophobicContact CG-CG1 4.03Å; G251-V254 WeakPolarHBondContact O-CG2 3.37Å; G251-V254 PolarHBondContact O-N 3.45Å; P252-V254 VanDerWaalsContact C-N 3.32Å; P252-V254 PolarHBondContact O-N 3.03Å; V254-W257 PolarHBondContact O-N 2.94Å; V254-A258 PolarHBondContact O-N 2.83Å
255	D	98.4	Very high	97.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-66.3	-38.6	171.9	-74.3	-21.7	0	0	0	110.9	V186 H190 V195 H196 R197 L199 P252 W257 A258 L259	V186-D255 HydrophobicContact CG1-CB 4.09Å; H190-D255 IonicContact CD2-OD2 3.47Å; H190-D255 IonicContact CE1-OD2 2.71Å; H190-D255 IonicContact NE2-OD2 3.16Å; H190-D255 PolarHBondContact NE2-OD2 3.27Å; V195-D255 WeakPolarHBondContact CA-OD2 3.39Å; H196-D255 PolarHBondContact N-OD1 3.41Å; H196-D255 PolarHBondContact N-OD2 3.07Å; R197-D255 PolarHBondContact N-OD1 3.17Å; L199-D255 HydrophobicContact CD1-CB 3.77Å; P252-D255 PolarHBondContact O-N 3.4Å; D255-W257 VanDerWaalsContact C-N 3.33Å; D255-W257 PolarHBondContact O-N 3.34Å; D255-A258 PolarHBondContact O-N 3.22Å; D255-L259 WeakPolarHBondContact O-CB 3.35Å; D255-L259 WeakPolarHBondContact O-CG 3.37Å; D255-L259 PolarHBondContact O-N 2.96Å
256	S	98.6	Very high	97.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-58	-41.5	171.6	-82.1	0	0	0	0	113	P252 L259 G260 A315 V317	P252-S256 PolarHBondContact O-N 2.6Å; S256-L259 PolarHBondContact O-N 3.27Å; S256-G260 PolarHBondContact O-N 3.33Å; S256-A315 WeakPolarHBondContact CB-O 3.5Å; S256-A315 PolarHBondContact OG-O 2.85Å; S256-V317 WeakPolarHBondContact OG-CG2 3.31Å; S256-V317 PolarHBondContact OG-N 3.07Å
257	W	98.7	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.5	-44.7	176.3	176.4	-84.5	0	0	0	111.7	A239 S240 P241 E253 V254 D255 L259 G260 V261 F273 I285 L307	A239-W257 PolarHBondContact O-NE1 2.96Å; S240-W257 VanDerWaalsContact CA-CD1 3.46Å; P241-W257 HydrophobicContact CG-CE3 4.15Å; P241-W257 HydrophobicContact CG-CH2 3.6Å; P241-W257 HydrophobicContact CG-CZ2 4.09Å; P241-W257 HydrophobicContact CG-CZ3 3.64Å; E253-W257 PolarHBondContact O-N 3.45Å; E253-W257 VanDerWaalsContact O-N 3.16Å; V254-W257 PolarHBondContact O-N 2.94Å; D255-W257 VanDerWaalsContact C-N 3.33Å; D255-W257 PolarHBondContact O-N 3.34Å; W257-L259 VanDerWaalsContact C-N 3.3Å; W257-L259 PolarHBondContact O-N 3.49Å; W257-G260 VanDerWaalsContact O-CA 3.29Å; W257-G260 WeakPolarHBondContact O-CA 3.39Å; W257-G260 PolarHBondContact O-N 2.87Å; W257-V261 PolarHBondContact O-N 3.43Å; W257-F273 HydrophobicContact CH2-CE2 4.47Å; W257-F273 AromaticContact CH2-CZ 3.87Å; W257-F273 HydrophobicContact CH2-CZ 3.87Å; W257-F273 HydrophobicContact CZ2-CE1 4.45Å; W257-F273 AromaticContact CZ2-CE2 3.55Å; W257-F273 HydrophobicContact CZ2-CE2 3.55Å; W257-F273 AromaticContact CZ2-CZ 3.37Å; W257-F273 HydrophobicContact CZ2-CZ 3.37Å; W257-I285 HydrophobicContact CZ2-CG2 3.85Å; W257-L307 HydrophobicContact CD2-CD2 3.82Å; W257-L307 HydrophobicContact CE3-CB 4.49Å; W257-L307 HydrophobicContact CE3-CD2 4.04Å; W257-L307 HydrophobicContact CG-CD2 4.3Å; W257-L307 HydrophobicContact CH2-CD2 4.47Å; W257-L307 HydrophobicContact CZ2-CD2 4.26Å; W257-L307 HydrophobicContact CZ3-CB 4.28Å; W257-L307 HydrophobicContact CZ3-CD2 4.36Å; W257-L307 WeakPolarHBondContact CZ3-O 3.17Å
258	A	98.4	Very high	96.8	Very high	5 Å²	5	13.5 Å²	13.5	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-62.5	-35.7	176.9	0	0	0	0	0	112.3	L199 V254 D255 G260 V261 L262	L199-A258 HydrophobicContact CB-CB 3.85Å; V254-A258 PolarHBondContact O-N 2.83Å; D255-A258 PolarHBondContact O-N 3.22Å; A258-G260 VanDerWaalsContact C-N 3.32Å; A258-V261 PolarHBondContact O-N 2.68Å; A258-L262 VanDerWaalsContact O-CB 3.28Å; A258-L262 WeakPolarHBondContact O-CB 3.1Å; A258-L262 PolarHBondContact O-N 3.35Å
259	L	98.7	Very high	96.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.4	-36.3	168.4	-73.6	171	0	0	0	112.4	F179 I182 V183 V186 L199 D255 S256 W257 L262 L263 M306 V317 I320	F179-L259 HydrophobicContact CE2-CB 4.21Å; F179-L259 HydrophobicContact CE2-CD2 4Å; F179-L259 HydrophobicContact CZ-CB 4.28Å; F179-L259 HydrophobicContact CZ-CD2 4.47Å; I182-L259 HydrophobicContact CG2-CD2 3.62Å; V183-L259 HydrophobicContact CG2-CD1 4.42Å; V183-L259 HydrophobicContact CG2-CD2 4.3Å; V186-L259 HydrophobicContact CB-CD1 4.38Å; V186-L259 HydrophobicContact CG1-CD1 4.19Å; V186-L259 HydrophobicContact CG2-CD2 4.3Å; L199-L259 HydrophobicContact CD1-CG 4.3Å; D255-L259 WeakPolarHBondContact O-CB 3.35Å; D255-L259 WeakPolarHBondContact O-CG 3.37Å; D255-L259 PolarHBondContact O-N 2.96Å; S256-L259 PolarHBondContact O-N 3.27Å; W257-L259 VanDerWaalsContact C-N 3.3Å; W257-L259 PolarHBondContact O-N 3.49Å; L259-L262 PolarHBondContact O-N 2.67Å; L259-L263 WeakPolarHBondContact O-CB 3.48Å; L259-L263 PolarHBondContact O-N 2.98Å; L259-M306 HydrophobicContact CB-SD 3.85Å; L259-V317 HydrophobicContact CD1-CG1 4.39Å; L259-V317 HydrophobicContact CD1-CG2 3.94Å; L259-I320 HydrophobicContact CD1-CD1 4.3Å
260	G	98.4	Very high	96.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.9	-49.8	171.6	0	0	0	0	0	113	S256 W257 A258 L263 Y264	S256-G260 PolarHBondContact O-N 3.33Å; W257-G260 VanDerWaalsContact O-CA 3.29Å; W257-G260 WeakPolarHBondContact O-CA 3.39Å; W257-G260 PolarHBondContact O-N 2.87Å; A258-G260 VanDerWaalsContact C-N 3.32Å; G260-L263 PolarHBondContact O-N 3.33Å; G260-Y264 WeakPolarHBondContact O-CB 3.38Å; G260-Y264 PolarHBondContact O-N 3.16Å
261	V	98	Very high	96	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61	-46.9	175.2	175.7	0	0	0	0	110.7	Y238 W257 A258 L263 Y264 T265 M271 P272 F273 L307	Y238-V261 HydrophobicContact CD1-CB 4Å; Y238-V261 HydrophobicContact CD1-CG1 3.5Å; Y238-V261 VanDerWaalsContact CD1-CG1 3.5Å; Y238-V261 HydrophobicContact CE1-CG1 3.9Å; Y238-V261 HydrophobicContact CG-CG1 4.16Å; W257-V261 PolarHBondContact O-N 3.43Å; A258-V261 PolarHBondContact O-N 2.68Å; V261-L263 PolarHBondContact O-N 3.22Å; V261-Y264 WeakPolarHBondContact O-CB 3.49Å; V261-Y264 PolarHBondContact O-N 3.31Å; V261-T265 PolarHBondContact O-N 2.85Å; V261-T265 PolarHBondContact O-OG1 3.18Å; V261-T265 VanDerWaalsContact O-OG1 3.12Å; V261-M271 HydrophobicContact CG1-CE 3.74Å; V261-P272 HydrophobicContact CB-CG 4.31Å; V261-P272 HydrophobicContact CG1-CG 3.93Å; V261-P272 HydrophobicContact CG2-CG 4.11Å; V261-F273 HydrophobicContact CG2-CE2 4.06Å; V261-L307 HydrophobicContact CG2-CD2 3.95Å
262	L	97.4	Very high	96	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.6	-44.7	-179.1	-168	154.5	0	0	0	111.6	F179 I182 L201 V204 A258 L259 T265 L266	F179-L262 HydrophobicContact CD2-CD2 4.3Å; I182-L262 HydrophobicContact CD1-CD1 4.24Å; I182-L262 HydrophobicContact CD1-CD2 3.53Å; L201-L262 HydrophobicContact CD2-CD1 4.23Å; L201-L262 HydrophobicContact CD2-CD2 4.25Å; L201-L262 HydrophobicContact CD2-CG 3.87Å; L201-L262 HydrophobicContact CG-CG 4.45Å; V204-L262 HydrophobicContact CG2-CD1 4.31Å; A258-L262 VanDerWaalsContact O-CB 3.28Å; A258-L262 WeakPolarHBondContact O-CB 3.1Å; A258-L262 PolarHBondContact O-N 3.35Å; L259-L262 PolarHBondContact O-N 2.67Å; L262-T265 PolarHBondContact O-N 3.22Å; L262-L266 HydrophobicContact CD2-CD1 3.51Å; L262-L266 HydrophobicContact CD2-CG 3.93Å; L262-L266 WeakPolarHBondContact O-CG 3.21Å; L262-L266 PolarHBondContact O-N 2.86Å
263	L	97.5	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.9	-41.8	176.6	-177.4	58.2	0	0	0	111.9	T175 F179 L259 G260 V261 T265 L266 V267 A299 L302 I303 M306 W325	T175-L263 HydrophobicContact CG2-CD1 3.91Å; F179-L263 HydrophobicContact CB-CD1 4.25Å; F179-L263 HydrophobicContact CD1-CD1 4.21Å; F179-L263 HydrophobicContact CD1-CD2 4.32Å; F179-L263 HydrophobicContact CD2-CB 3.99Å; F179-L263 HydrophobicContact CD2-CD1 4.03Å; F179-L263 HydrophobicContact CD2-CG 4.46Å; F179-L263 HydrophobicContact CE1-CD2 3.99Å; F179-L263 HydrophobicContact CE2-CB 3.7Å; F179-L263 HydrophobicContact CE2-CD1 4.47Å; F179-L263 HydrophobicContact CE2-CD2 4.47Å; F179-L263 HydrophobicContact CE2-CG 4.42Å; F179-L263 HydrophobicContact CG-CD1 3.89Å; F179-L263 HydrophobicContact CZ-CB 4.06Å; F179-L263 HydrophobicContact CZ-CD2 4.08Å; L259-L263 WeakPolarHBondContact O-CB 3.48Å; L259-L263 PolarHBondContact O-N 2.98Å; G260-L263 PolarHBondContact O-N 3.33Å; V261-L263 PolarHBondContact O-N 3.22Å; L263-T265 VanDerWaalsContact C-N 3.3Å; L263-T265 PolarHBondContact O-N 3.3Å; L263-L266 PolarHBondContact O-N 2.84Å; L263-V267 HydrophobicContact CD1-CG2 3.86Å; L263-V267 HydrophobicContact CG-CG2 4.25Å; L263-V267 WeakPolarHBondContact O-CB 3.16Å; L263-V267 VanDerWaalsContact O-CG2 3.29Å; L263-V267 WeakPolarHBondContact O-CG2 3.39Å; L263-V267 PolarHBondContact O-N 3.19Å; L263-A299 HydrophobicContact CD2-CB 4.31Å; L263-L302 HydrophobicContact CD2-CD2 3.94Å; L263-L302 HydrophobicContact CD2-CG 4.3Å; L263-I303 HydrophobicContact CB-CG1 4.33Å; L263-I303 HydrophobicContact CD2-CD1 4.47Å; L263-I303 HydrophobicContact CD2-CG1 3.78Å; L263-I303 HydrophobicContact CG-CD1 4.18Å; L263-I303 HydrophobicContact CG-CG1 3.87Å; L263-M306 HydrophobicContact CB-CE 3.76Å; L263-M306 HydrophobicContact CD2-CE 3.46Å; L263-M306 VanDerWaalsContact CD2-CE 3.46Å; L263-M306 HydrophobicContact CG-CE 4.24Å; L263-W325 HydrophobicContact CD1-CH2 3.63Å; L263-W325 HydrophobicContact CD1-CZ3 3.84Å; L263-W325 HydrophobicContact CD2-CZ3 4.13Å
264	Y	96.1	Very high	95.6	Very high	7 Å²	7	11.4 Å²	11.4	3%	0.027	6%	0.064	C	C	.	.	H	α-helix	trans	-54	-49.7	173.4	179.6	-74.4	0	0	0	110.2	G260 V261 L266 V267 Y268 T270 M271 P272 Y290 K291 P293 I303	G260-Y264 WeakPolarHBondContact O-CB 3.38Å; G260-Y264 PolarHBondContact O-N 3.16Å; V261-Y264 WeakPolarHBondContact O-CB 3.49Å; V261-Y264 PolarHBondContact O-N 3.31Å; Y264-L266 PolarHBondContact O-N 3.44Å; Y264-V267 PolarHBondContact O-N 2.8Å; Y264-Y268 HydrophobicContact CD1-CD2 4.02Å; Y264-Y268 AromaticContact CD2-CD2 3.49Å; Y264-Y268 HydrophobicContact CD2-CD2 3.49Å; Y264-Y268 VanDerWaalsContact CD2-CD2 3.49Å; Y264-Y268 AromaticContact CD2-CE2 3.74Å; Y264-Y268 HydrophobicContact CD2-CE2 3.74Å; Y264-Y268 HydrophobicContact CE1-CD2 4.01Å; Y264-Y268 HydrophobicContact CE1-CG 4.44Å; Y264-Y268 AromaticContact CE2-CD2 3.5Å; Y264-Y268 HydrophobicContact CE2-CD2 3.5Å; Y264-Y268 VanDerWaalsContact CE2-CD2 3.5Å; Y264-Y268 AromaticContact CE2-CE2 3.83Å; Y264-Y268 HydrophobicContact CE2-CE2 3.83Å; Y264-Y268 HydrophobicContact CE2-CG 4.39Å; Y264-Y268 AromaticContact CG-CD2 3.73Å; Y264-Y268 HydrophobicContact CG-CD2 3.73Å; Y264-Y268 HydrophobicContact CG-CE2 4.33Å; Y264-Y268 AromaticContact CZ-CD2 3.75Å; Y264-Y268 WeakPolarHBondContact O-CB 3.41Å; Y264-Y268 WeakPolarHBondContact O-CD2 3.41Å; Y264-Y268 PolarHBondContact O-N 2.76Å; Y264-T270 VanDerWaalsContact CD1-O 3.23Å; Y264-T270 WeakPolarHBondContact CD1-O 3.31Å; Y264-T270 WeakPolarHBondContact CE1-O 3.27Å; Y264-M271 VanDerWaalsContact CE1-C 3.44Å; Y264-P272 HydrophobicContact CD1-CB 3.8Å; Y264-P272 HydrophobicContact CD1-CG 4.08Å; Y264-P272 HydrophobicContact CD2-CB 3.93Å; Y264-P272 HydrophobicContact CE1-CB 4.05Å; Y264-P272 HydrophobicContact CE2-CB 4.16Å; Y264-P272 HydrophobicContact CG-CB 3.78Å; Y264-P272 HydrophobicContact CG-CG 4.17Å; Y264-Y290 HydrophobicContact CD2-CD2 4.08Å; Y264-Y290 HydrophobicContact CD2-CE2 4.25Å; Y264-Y290 AromaticContact CE2-CD2 3.85Å; Y264-Y290 HydrophobicContact CE2-CD2 3.85Å; Y264-Y290 HydrophobicContact CE2-CE2 4.22Å; Y264-K291 PolarHBondContact OH-O 2.89Å; Y264-P293 HydrophobicContact CE2-CG 4.48Å; Y264-P293 WeakPolarHBondContact OH-CD 3.29Å; Y264-P293 WeakPolarHBondContact OH-CG 3.26Å; Y264-I303 HydrophobicContact CD2-CG2 4.19Å
265	T	94.3	Very high	95	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-66.3	-36.4	-178.9	-52	0	0	0	0	112.7	L201 V261 L262 L263 V267 G269 T270 M271 L466	L201-T265 HydrophobicContact CD1-CG2 3.68Å; V261-T265 PolarHBondContact O-N 2.85Å; V261-T265 PolarHBondContact O-OG1 3.18Å; V261-T265 VanDerWaalsContact O-OG1 3.12Å; L262-T265 PolarHBondContact O-N 3.22Å; L263-T265 VanDerWaalsContact C-N 3.3Å; L263-T265 PolarHBondContact O-N 3.3Å; T265-V267 VanDerWaalsContact C-N 3.35Å; T265-V267 PolarHBondContact O-N 2.91Å; T265-G269 WeakPolarHBondContact O-CA 3.46Å; T265-G269 PolarHBondContact O-N 2.9Å; T265-T270 WeakPolarHBondContact CA-O 3.27Å; T265-T270 PolarHBondContact OG1-O 2.88Å; T265-M271 HydrophobicContact CG2-SD 3.93Å; T265-M271 PolarHBondContact OG1-SD 2.7Å; T265-L466 HydrophobicContact CG2-CD2 4.1Å
266	L	94.4	Very high	94.6	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-68.4	-27.6	174.2	-69.9	179.2	0	0	0	114.3	L160 I164 L170 T175 F179 L201 L262 L263 Y264	L160-L266 HydrophobicContact CD2-CD2 4.17Å; I164-L266 HydrophobicContact CD1-CD2 3.51Å; I164-L266 HydrophobicContact CG1-CD2 4.15Å; L170-L266 HydrophobicContact CD1-CD2 3.95Å; T175-L266 HydrophobicContact CG2-CB 3.54Å; T175-L266 HydrophobicContact CG2-CD1 4.39Å; T175-L266 PolarHBondContact OG1-O 3Å; F179-L266 HydrophobicContact CB-CD1 4.39Å; L201-L266 HydrophobicContact CD2-CD2 4.13Å; L262-L266 HydrophobicContact CD2-CD1 3.51Å; L262-L266 HydrophobicContact CD2-CG 3.93Å; L262-L266 WeakPolarHBondContact O-CG 3.21Å; L262-L266 PolarHBondContact O-N 2.86Å; L263-L266 PolarHBondContact O-N 2.84Å; Y264-L266 PolarHBondContact O-N 3.44Å
267	V	93.6	Very high	94.3	Very high	15 Å²	15	20.4 Å²	20.4	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-87.8	-42.8	-179.9	172.7	0	0	0	0	111	T175 L263 Y264 T265 A299 I303	T175-V267 HydrophobicContact CG2-CG2 3.68Å; L263-V267 HydrophobicContact CD1-CG2 3.86Å; L263-V267 HydrophobicContact CG-CG2 4.25Å; L263-V267 WeakPolarHBondContact O-CB 3.16Å; L263-V267 VanDerWaalsContact O-CG2 3.29Å; L263-V267 WeakPolarHBondContact O-CG2 3.39Å; L263-V267 PolarHBondContact O-N 3.19Å; Y264-V267 PolarHBondContact O-N 2.8Å; T265-V267 VanDerWaalsContact C-N 3.35Å; T265-V267 PolarHBondContact O-N 2.91Å; V267-A299 HydrophobicContact CG2-CB 3.86Å; V267-I303 HydrophobicContact CG2-CD1 4.41Å
268	Y	91.6	Very high	94	Very high	30 Å²	30	26 Å²	26	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-108.7	-4.4	-168.1	-59.7	-61.1	0	0	0	115.1	Y264 T270 P293 Q295 I303	Y264-Y268 HydrophobicContact CD1-CD2 4.02Å; Y264-Y268 AromaticContact CD2-CD2 3.49Å; Y264-Y268 HydrophobicContact CD2-CD2 3.49Å; Y264-Y268 VanDerWaalsContact CD2-CD2 3.49Å; Y264-Y268 AromaticContact CD2-CE2 3.74Å; Y264-Y268 HydrophobicContact CD2-CE2 3.74Å; Y264-Y268 HydrophobicContact CE1-CD2 4.01Å; Y264-Y268 HydrophobicContact CE1-CG 4.44Å; Y264-Y268 AromaticContact CE2-CD2 3.5Å; Y264-Y268 HydrophobicContact CE2-CD2 3.5Å; Y264-Y268 VanDerWaalsContact CE2-CD2 3.5Å; Y264-Y268 AromaticContact CE2-CE2 3.83Å; Y264-Y268 HydrophobicContact CE2-CE2 3.83Å; Y264-Y268 HydrophobicContact CE2-CG 4.39Å; Y264-Y268 AromaticContact CG-CD2 3.73Å; Y264-Y268 HydrophobicContact CG-CD2 3.73Å; Y264-Y268 HydrophobicContact CG-CE2 4.33Å; Y264-Y268 AromaticContact CZ-CD2 3.75Å; Y264-Y268 WeakPolarHBondContact O-CB 3.41Å; Y264-Y268 WeakPolarHBondContact O-CD2 3.41Å; Y264-Y268 PolarHBondContact O-N 2.76Å; Y268-T270 PolarHBondContact O-N 3.49Å; Y268-T270 VanDerWaalsContact O-N 3.13Å; Y268-T270 PolarHBondContact O-OG1 3.48Å; Y268-P293 HydrophobicContact CD1-CB 3.9Å; Y268-P293 HydrophobicContact CD1-CG 3.57Å; Y268-P293 HydrophobicContact CD2-CG 4.18Å; Y268-P293 HydrophobicContact CE1-CB 4.07Å; Y268-P293 HydrophobicContact CE1-CG 3.95Å; Y268-P293 HydrophobicContact CG-CG 3.69Å; Y268-Q295 WeakPolarHBondContact CE1-O 3.41Å; Y268-I303 HydrophobicContact CE2-CD1 3.81Å
269	G	90.1	Very high	93.8	Very high	14 Å²	14	34.2 Å²	34.2	14%	0.144	20%	0.2	C	C	.	.	S	Bend	trans	59.9	24.5	177.9	0	0	0	0	0	114.1	T265 L466	T265-G269 WeakPolarHBondContact O-CA 3.46Å; T265-G269 PolarHBondContact O-N 2.9Å; G269-L466 WeakPolarHBondContact O-CD2 3.5Å; G269-L466 VanDerWaalsContact O-CG 3.27Å; G269-L466 WeakPolarHBondContact O-CG 3.29Å
270	T	90.4	Very high	93.6	Very high	31 Å²	31	38 Å²	38	19%	0.19	22%	0.217	C	C	.	.	S	Bend	trans	-149.7	160.3	-177	45.7	0	0	0	0	109	Y264 T265 Y268	Y264-T270 VanDerWaalsContact CD1-O 3.23Å; Y264-T270 WeakPolarHBondContact CD1-O 3.31Å; Y264-T270 WeakPolarHBondContact CE1-O 3.27Å; T265-T270 WeakPolarHBondContact CA-O 3.27Å; T265-T270 PolarHBondContact OG1-O 2.88Å; Y268-T270 PolarHBondContact O-N 3.49Å; Y268-T270 VanDerWaalsContact O-N 3.13Å; Y268-T270 PolarHBondContact O-OG1 3.48Å
271	M	92.8	Very high	93.5	Very high	40 Å²	40	38.5 Å²	38.5	20%	0.197	22%	0.219	C	C	.	.			trans	-81	149.6	173.5	-61.8	-57.2	-75.2	0	0	111.1	L237 Y238 V261 Y264 T265	L237-M271 HydrophobicContact CB-CE 3.81Å; L237-M271 HydrophobicContact CD1-CE 4.38Å; Y238-M271 HydrophobicContact CE1-CE 4.21Å; Y238-M271 HydrophobicContact CE2-CE 4.15Å; V261-M271 HydrophobicContact CG1-CE 3.74Å; Y264-M271 VanDerWaalsContact CE1-C 3.44Å; T265-M271 HydrophobicContact CG2-SD 3.93Å; T265-M271 PolarHBondContact OG1-SD 2.7Å
272	P	95.1	Very high	93.4	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.039	23%	0.231	C	C	.	.	S	Bend	trans	-72.1	-33.5	177.4	25.2	-30.4	0	0	0	113	V261 Y264 Y290	V261-P272 HydrophobicContact CB-CG 4.31Å; V261-P272 HydrophobicContact CG1-CG 3.93Å; V261-P272 HydrophobicContact CG2-CG 4.11Å; Y264-P272 HydrophobicContact CD1-CB 3.8Å; Y264-P272 HydrophobicContact CD1-CG 4.08Å; Y264-P272 HydrophobicContact CD2-CB 3.93Å; Y264-P272 HydrophobicContact CE1-CB 4.05Å; Y264-P272 HydrophobicContact CE2-CB 4.16Å; Y264-P272 HydrophobicContact CG-CB 3.78Å; Y264-P272 HydrophobicContact CG-CG 4.17Å; P272-Y290 HydrophobicContact CB-CD2 4.37Å; P272-Y290 HydrophobicContact CB-CG 4.24Å; P272-Y290 WeakPolarHBondContact O-CA 3.47Å; P272-Y290 WeakPolarHBondContact O-CB 3.43Å
273	F	95.6	Very high	93.4	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.026	26%	0.255	C	S	.	.	S	Bend	trans	-112.4	149.5	-178	-50.8	-66.5	0	0	0	111.1	W257 V261 L281 Q284 I285	W257-F273 HydrophobicContact CH2-CE2 4.47Å; W257-F273 AromaticContact CH2-CZ 3.87Å; W257-F273 HydrophobicContact CH2-CZ 3.87Å; W257-F273 HydrophobicContact CZ2-CE1 4.45Å; W257-F273 AromaticContact CZ2-CE2 3.55Å; W257-F273 HydrophobicContact CZ2-CE2 3.55Å; W257-F273 AromaticContact CZ2-CZ 3.37Å; W257-F273 HydrophobicContact CZ2-CZ 3.37Å; V261-F273 HydrophobicContact CG2-CE2 4.06Å; F273-L281 HydrophobicContact CB-CD1 3.6Å; F273-Q284 HydrophobicContact CD1-CB 3.98Å; F273-I285 HydrophobicContact CB-CG1 4.43Å; F273-I285 HydrophobicContact CD1-CG1 4.21Å; F273-I285 HydrophobicContact CD2-CD1 4.47Å; F273-I285 HydrophobicContact CD2-CG1 3.79Å; F273-I285 HydrophobicContact CE1-CG1 4.44Å; F273-I285 HydrophobicContact CE2-CG1 4.08Å; F273-I285 HydrophobicContact CG-CG1 3.88Å; F273-I285 HydrophobicContact CZ-CG1 4.4Å
274	D	91.3	Very high	93.4	Very high	71 Å²	71	48.3 Å²	48.3	38%	0.38	26%	0.26	S	S	.	.			trans	-92.4	116	-178.5	-178.3	5	0	0	0	111.2	G276 K280	D274-G276 VanDerWaalsContact C-N 3.33Å; D274-G276 PolarHBondContact OD1-N 3.39Å; D274-K280 IonicContact OD2-NZ 3.74Å; D274-K280 PolarHBondContact OD2-NZ 2.64Å
275	G	86.1	Confident	93.4	Very high	45 Å²	45	48 Å²	48	46%	0.464	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	1.5	177.9	0	0	0	0	0	115.6	D277	G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 2.58Å
276	G	89.3	Confident	93.6	Very high	72 Å²	72	48.9 Å²	48.9	74%	0.742	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.6	-175.9	0	0	0	0	0	115.2	D274	D274-G276 VanDerWaalsContact C-N 3.33Å; D274-G276 PolarHBondContact OD1-N 3.39Å
277	D	93.1	Very high	93.7	Very high	83 Å²	83	53.3 Å²	53.3	44%	0.444	29%	0.289	S	S	.	.	S	Bend	trans	-137.3	133.2	170.6	174.9	-79.1	0	0	0	109.7	G275 K279 K280 L281	G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 2.58Å; D277-K279 WeakPolarHBondContact OD1-CA 3.42Å; D277-K279 WeakPolarHBondContact OD1-CB 3.42Å; D277-K279 PolarHBondContact OD1-N 2.8Å; D277-K280 HydrophobicContact CB-CB 3.88Å; D277-K280 WeakPolarHBondContact OD1-CB 3.35Å; D277-K280 PolarHBondContact OD1-N 2.86Å; D277-L281 WeakPolarHBondContact O-CB 3.41Å; D277-L281 PolarHBondContact O-N 3.23Å
278	H	91.9	Very high	93.7	Very high	118 Å²	118	53.6 Å²	53.6	55%	0.546	30%	0.295	S	S	.	.	H	α-helix	trans	-72.7	-35.5	-172.7	-172.2	55.5	0	0	0	113.5	L281 I282	H278-L281 PolarHBondContact O-N 2.88Å; H278-I282 WeakPolarHBondContact O-CG1 3.28Å; H278-I282 PolarHBondContact O-N 3.33Å
279	K	94.1	Very high	93.9	Very high	176 Å²	176	55.8 Å²	55.8	77%	0.765	31%	0.306	S	S	*	.	H	α-helix	trans	-71.1	-40.2	178	-65.1	-175.3	177.4	-175	0	110.5	D277 R283	D277-K279 WeakPolarHBondContact OD1-CA 3.42Å; D277-K279 WeakPolarHBondContact OD1-CB 3.42Å; D277-K279 PolarHBondContact OD1-N 2.8Å; K279-R283 PolarHBondContact O-N 3.43Å
280	K	95.2	Very high	94	Very high	81 Å²	81	57 Å²	57	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-47.4	171	-176.5	-171.4	175.3	-176.1	0	111.2	D274 D277 I282 R283 Q284	D274-K280 IonicContact OD2-NZ 3.74Å; D274-K280 PolarHBondContact OD2-NZ 2.64Å; D277-K280 HydrophobicContact CB-CB 3.88Å; D277-K280 WeakPolarHBondContact OD1-CB 3.35Å; D277-K280 PolarHBondContact OD1-N 2.86Å; K280-I282 PolarHBondContact O-N 2.74Å; K280-R283 PolarHBondContact O-N 3.44Å; K280-Q284 VanDerWaalsContact CE-OE1 3.28Å; K280-Q284 HydrophobicContact CG-CG 4.49Å; K280-Q284 WeakPolarHBondContact O-CB 3.34Å; K280-Q284 WeakPolarHBondContact O-CG 3.04Å; K280-Q284 PolarHBondContact O-N 2.94Å
281	L	95.7	Very high	93.9	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-57.5	-50.2	177.9	177.2	60.2	0	0	0	111.5	P236 L237 F273 D277 H278 R283 Q284 I285	P236-L281 HydrophobicContact CB-CD2 4.16Å; L237-L281 HydrophobicContact CD2-CD1 3.86Å; L237-L281 HydrophobicContact CD2-CD2 4.05Å; F273-L281 HydrophobicContact CB-CD1 3.6Å; D277-L281 WeakPolarHBondContact O-CB 3.41Å; D277-L281 PolarHBondContact O-N 3.23Å; H278-L281 PolarHBondContact O-N 2.88Å; L281-R283 PolarHBondContact O-N 2.98Å; L281-Q284 PolarHBondContact O-N 3.12Å; L281-I285 HydrophobicContact CD1-CD1 3.7Å; L281-I285 HydrophobicContact CD1-CG1 4.15Å; L281-I285 HydrophobicContact CG-CD1 3.92Å; L281-I285 WeakPolarHBondContact O-CG1 3.48Å; L281-I285 PolarHBondContact O-N 2.82Å
282	I	96.1	Very high	93.4	Very high	49 Å²	49	64.6 Å²	64.6	25%	0.251	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-48.9	177.1	-68.9	169.1	0	0	0	110.2	V244 H278 K280 Q284 I285 S286	V244-I282 HydrophobicContact CB-CG1 4.45Å; V244-I282 HydrophobicContact CG2-CG2 4.36Å; H278-I282 WeakPolarHBondContact O-CG1 3.28Å; H278-I282 PolarHBondContact O-N 3.33Å; K280-I282 PolarHBondContact O-N 2.74Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 3.04Å; I282-I285 PolarHBondContact O-N 3.24Å; I282-S286 VanDerWaalsContact O-CB 3.32Å; I282-S286 WeakPolarHBondContact O-CB 3.47Å; I282-S286 PolarHBondContact O-N 3.27Å; I282-S286 PolarHBondContact O-OG 3.05Å
283	R	96.8	Very high	92.9	Very high	135 Å²	135	66.2 Å²	66.2	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-44	177.9	-163.6	-167.7	78.4	-152.8	2.1	112.1	K279 K280 L281 S286 N287 E289	K279-R283 PolarHBondContact O-N 3.43Å; K280-R283 PolarHBondContact O-N 3.44Å; L281-R283 PolarHBondContact O-N 2.98Å; R283-S286 PolarHBondContact O-N 3.1Å; R283-N287 WeakPolarHBondContact O-CB 3.4Å; R283-N287 PolarHBondContact O-N 2.83Å; R283-E289 IonicContact CZ-OE2 3.02Å; R283-E289 IonicContact NE-OE1 3.68Å; R283-E289 IonicContact NE-OE2 3.92Å; R283-E289 PolarHBondContact NE-OE2 3.05Å; R283-E289 IonicContact NH2-OE2 2.64Å; R283-E289 PolarHBondContact NH2-OE2 3.08Å
284	Q	97.3	Very high	92.3	Very high	22 Å²	22	73.4 Å²	73.4	10%	0.103	39%	0.392	C	S	.	.	H	α-helix	trans	-64.7	-42.8	180	-75.6	-170.9	-106.7	0	0	112.4	F273 K280 L281 I282 G288 E289	F273-Q284 HydrophobicContact CD1-CB 3.98Å; K280-Q284 VanDerWaalsContact CE-OE1 3.28Å; K280-Q284 HydrophobicContact CG-CG 4.49Å; K280-Q284 WeakPolarHBondContact O-CB 3.34Å; K280-Q284 WeakPolarHBondContact O-CG 3.04Å; K280-Q284 PolarHBondContact O-N 2.94Å; L281-Q284 PolarHBondContact O-N 3.12Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 3.04Å; Q284-G288 CarbonylContact O-C 3.47Å; Q284-G288 WeakPolarHBondContact O-CA 3.5Å; Q284-G288 PolarHBondContact O-N 3.35Å; Q284-E289 HydrophobicContact CB-CB 4.28Å; Q284-E289 HydrophobicContact CG-CB 4.12Å; Q284-E289 PolarHBondContact NE2-O 3.27Å; Q284-E289 PolarHBondContact O-N 3.47Å
285	I	97.6	Very high	91.9	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-52.4	175.4	-70	170.2	0	0	0	109.8	P236 P241 V244 W257 F273 L281 I282 N287 G288	P236-I285 WeakPolarHBondContact O-CD1 3.36Å; P241-I285 HydrophobicContact CG-CG2 4.22Å; V244-I285 HydrophobicContact CB-CG2 4.5Å; V244-I285 HydrophobicContact CG1-CD1 4.1Å; V244-I285 HydrophobicContact CG1-CG2 4.1Å; V244-I285 HydrophobicContact CG2-CB 4.13Å; V244-I285 HydrophobicContact CG2-CG2 3.56Å; W257-I285 HydrophobicContact CZ2-CG2 3.85Å; F273-I285 HydrophobicContact CB-CG1 4.43Å; F273-I285 HydrophobicContact CD1-CG1 4.21Å; F273-I285 HydrophobicContact CD2-CD1 4.47Å; F273-I285 HydrophobicContact CD2-CG1 3.79Å; F273-I285 HydrophobicContact CE1-CG1 4.44Å; F273-I285 HydrophobicContact CE2-CG1 4.08Å; F273-I285 HydrophobicContact CG-CG1 3.88Å; F273-I285 HydrophobicContact CZ-CG1 4.4Å; L281-I285 HydrophobicContact CD1-CD1 3.7Å; L281-I285 HydrophobicContact CD1-CG1 4.15Å; L281-I285 HydrophobicContact CG-CD1 3.92Å; L281-I285 WeakPolarHBondContact O-CG1 3.48Å; L281-I285 PolarHBondContact O-N 2.82Å; I282-I285 PolarHBondContact O-N 3.24Å; I285-N287 VanDerWaalsContact C-N 3.26Å; I285-N287 PolarHBondContact O-N 2.97Å; I285-G288 PolarHBondContact O-N 2.81Å; I285-G288 VanDerWaalsContact O-N 3.1Å
286	S	97.2	Very high	91.8	Very high	21 Å²	21	77 Å²	77	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-55.2	-37.6	-179.3	-65.2	0	0	0	0	113.7	N245 I282 R283 V309	N245-S286 PolarHBondContact ND2-OG 3.33Å; N245-S286 PolarHBondContact OD1-OG 2.99Å; I282-S286 VanDerWaalsContact O-CB 3.32Å; I282-S286 WeakPolarHBondContact O-CB 3.47Å; I282-S286 PolarHBondContact O-N 3.27Å; I282-S286 PolarHBondContact O-OG 3.05Å; R283-S286 PolarHBondContact O-N 3.1Å; S286-V309 VanDerWaalsContact O-CG1 3.29Å; S286-V309 WeakPolarHBondContact O-CG1 3.48Å
287	N	96.6	Very high	91.9	Very high	96 Å²	96	74 Å²	74	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-94.2	-9.2	-178.5	-66.3	-0.8	0	0	0	113.4	R283 I285 E289	R283-N287 WeakPolarHBondContact O-CB 3.4Å; R283-N287 PolarHBondContact O-N 2.83Å; I285-N287 VanDerWaalsContact C-N 3.26Å; I285-N287 PolarHBondContact O-N 2.97Å; N287-E289 VanDerWaalsContact C-N 3.28Å; N287-E289 HydrophobicContact CB-CG 3.75Å; N287-E289 WeakPolarHBondContact CB-OE1 3.33Å; N287-E289 PolarHBondContact ND2-OE1 3.22Å
288	G	94.9	Very high	92	Very high	20 Å²	20	74.6 Å²	74.6	21%	0.206	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	20.6	-170.8	0	0	0	0	0	114.1	Q284 I285 Y290	Q284-G288 CarbonylContact O-C 3.47Å; Q284-G288 WeakPolarHBondContact O-CA 3.5Å; Q284-G288 PolarHBondContact O-N 3.35Å; I285-G288 PolarHBondContact O-N 2.81Å; I285-G288 VanDerWaalsContact O-N 3.1Å; G288-Y290 WeakPolarHBondContact O-CD1 3.22Å; G288-Y290 PolarHBondContact O-N 2.85Å
289	E	94.3	Very high	92.2	Very high	77 Å²	77	69 Å²	69	36%	0.36	35%	0.349	S	S	.	.			trans	-73.5	63.7	180	-66.2	166.6	-156.8	0	0	111.6	R283 Q284 N287	R283-E289 IonicContact CZ-OE2 3.02Å; R283-E289 IonicContact NE-OE1 3.68Å; R283-E289 IonicContact NE-OE2 3.92Å; R283-E289 PolarHBondContact NE-OE2 3.05Å; R283-E289 IonicContact NH2-OE2 2.64Å; R283-E289 PolarHBondContact NH2-OE2 3.08Å; Q284-E289 HydrophobicContact CB-CB 4.28Å; Q284-E289 HydrophobicContact CG-CB 4.12Å; Q284-E289 PolarHBondContact NE2-O 3.27Å; Q284-E289 PolarHBondContact O-N 3.47Å; N287-E289 VanDerWaalsContact C-N 3.28Å; N287-E289 HydrophobicContact CB-CG 3.75Å; N287-E289 WeakPolarHBondContact CB-OE1 3.33Å; N287-E289 PolarHBondContact ND2-OE1 3.22Å
290	Y	93.4	Very high	92.3	Very high	38 Å²	38	67 Å²	67	15%	0.149	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-88.9	150.8	164.3	74.4	-85.6	0	0	0	111	Y264 P272 G288 E292 I303 R304 L307	Y264-Y290 HydrophobicContact CD2-CD2 4.08Å; Y264-Y290 HydrophobicContact CD2-CE2 4.25Å; Y264-Y290 AromaticContact CE2-CD2 3.85Å; Y264-Y290 HydrophobicContact CE2-CD2 3.85Å; Y264-Y290 HydrophobicContact CE2-CE2 4.22Å; P272-Y290 HydrophobicContact CB-CD2 4.37Å; P272-Y290 HydrophobicContact CB-CG 4.24Å; P272-Y290 WeakPolarHBondContact O-CA 3.47Å; P272-Y290 WeakPolarHBondContact O-CB 3.43Å; G288-Y290 WeakPolarHBondContact O-CD1 3.22Å; G288-Y290 PolarHBondContact O-N 2.85Å; Y290-E292 HydrophobicContact CD2-CG 4.21Å; Y290-E292 HydrophobicContact CE2-CG 3.45Å; Y290-E292 VanDerWaalsContact CE2-CG 3.45Å; Y290-E292 PolarHBondContact OH-OE1 3.29Å; Y290-I303 HydrophobicContact CE2-CG2 4.47Å; Y290-R304 WeakPolarHBondContact OH-CG 3.35Å; Y290-L307 HydrophobicContact CD1-CB 4.43Å; Y290-L307 HydrophobicContact CD1-CD1 3.9Å; Y290-L307 HydrophobicContact CE1-CB 4.03Å; Y290-L307 HydrophobicContact CE1-CD1 3.87Å; Y290-L307 HydrophobicContact CE2-CD1 4.48Å; Y290-L307 HydrophobicContact CG-CD1 4.25Å
291	K	87.1	Confident	92.3	Very high	164 Å²	164	65 Å²	65	71%	0.713	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-86	125	175.7	-179.8	-179	178.2	-178.4	0	109.6	Y264 P293	Y264-K291 PolarHBondContact OH-O 2.89Å; K291-P293 WeakPolarHBondContact O-CD 3.28Å
292	E	83.5	Confident	92.4	Very high	68 Å²	68	64.6 Å²	64.6	32%	0.318	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-80.4	127.5	166.4	-76	-170.5	171.6	0	0	111.2	Y290 R304	Y290-E292 HydrophobicContact CD2-CG 4.21Å; Y290-E292 HydrophobicContact CE2-CG 3.45Å; Y290-E292 VanDerWaalsContact CE2-CG 3.45Å; Y290-E292 PolarHBondContact OH-OE1 3.29Å; E292-R304 VanDerWaalsContact OE1-CG 3.31Å; E292-R304 WeakPolarHBondContact OE1-CG 3.44Å; E292-R304 IonicContact OE1-CZ 3.66Å; E292-R304 IonicContact OE1-NE 2.8Å; E292-R304 PolarHBondContact OE1-NE 2.88Å; E292-R304 IonicContact OE1-NH2 2.71Å; E292-R304 IonicContact OE2-CZ 3.82Å; E292-R304 IonicContact OE2-NE 3.78Å; E292-R304 PolarHBondContact OE2-NE 3.37Å; E292-R304 IonicContact OE2-NH2 2.78Å; E292-R304 PolarHBondContact OE2-NH2 3.02Å
293	P	84.4	Confident	92.5	Very high	39 Å²	39	62.3 Å²	62.3	25%	0.253	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-67.5	150.5	173.2	-25.9	39.3	0	0	0	112.4	Y264 Y268 K291 Q295	Y264-P293 HydrophobicContact CE2-CG 4.48Å; Y264-P293 WeakPolarHBondContact OH-CD 3.29Å; Y264-P293 WeakPolarHBondContact OH-CG 3.26Å; Y268-P293 HydrophobicContact CD1-CB 3.9Å; Y268-P293 HydrophobicContact CD1-CG 3.57Å; Y268-P293 HydrophobicContact CD2-CG 4.18Å; Y268-P293 HydrophobicContact CE1-CB 4.07Å; Y268-P293 HydrophobicContact CE1-CG 3.95Å; Y268-P293 HydrophobicContact CG-CG 3.69Å; K291-P293 WeakPolarHBondContact O-CD 3.28Å; P293-Q295 PolarHBondContact O-N 3.29Å
294	T	82.9	Confident	92.6	Very high	157 Å²	157	62.2 Å²	62.2	96%	0.963	33%	0.325	S	S	*	.	S	Bend	trans	-66.5	-20.4	178.2	50	0	0	0	0	113.4	S296	T294-S296 PolarHBondContact O-N 2.75Å
295	Q	83.3	Confident	92.6	Very high	102 Å²	102	65.3 Å²	65.3	48%	0.477	34%	0.336	S	S	.	.	S	Bend	trans	-74.8	109	170.3	-177.4	-179.8	-15.1	0	0	109.5	Y268 P293	Y268-Q295 WeakPolarHBondContact CE1-O 3.41Å; P293-Q295 PolarHBondContact O-N 3.29Å
296	S	82.8	Confident	92.7	Very high	91 Å²	91	65.3 Å²	65.3	64%	0.636	34%	0.336	S	S	*	.			trans	-64.6	138.4	169.9	54.1	0	0	0	0	111.7	T294	T294-S296 PolarHBondContact O-N 2.75Å
297	S	92.1	Very high	92.7	Very high	7 Å²	7	64.6 Å²	64.6	5%	0.049	33%	0.331	C	S	.	.			trans	-128.1	150.5	162.7	160	0	0	0	0	108.2	E172 A299 R300	E172-S297 VanDerWaalsContact CD-OG 3.24Å; E172-S297 PolarHBondContact OE1-OG 2.96Å; E172-S297 PolarHBondContact OE2-OG 3.3Å; S297-A299 PolarHBondContact O-N 3.08Å; S297-A299 WeakPolarHBondContact OG-CB 3.24Å; S297-A299 PolarHBondContact OG-N 2.81Å; S297-A299 VanDerWaalsContact OG-N 3.17Å; S297-R300 WeakPolarHBondContact O-CB 3.24Å; S297-R300 VanDerWaalsContact O-CG 3.23Å; S297-R300 WeakPolarHBondContact O-CG 3.32Å; S297-R300 PolarHBondContact O-N 3.4Å; S297-R300 VanDerWaalsContact O-N 3.11Å
298	D	94.8	Very high	92.8	Very high	96 Å²	96	62.4 Å²	62.4	51%	0.513	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.7	176.4	-68.8	-26.4	0	0	0	112	E172 R300 W324 W325	E172-D298 PolarHBondContact OE1-N 3Å; D298-R300 PolarHBondContact O-N 2.89Å; D298-W324 HydrophobicContact CB-CH2 3.88Å; D298-W324 HydrophobicContact CB-CZ3 4.48Å; D298-W325 VanDerWaalsContact C-CD1 3.46Å; D298-W325 VanDerWaalsContact CB-CD1 3.49Å
299	A	96.3	Very high	92.9	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.3	174.4	0	0	0	0	0	113.9	L263 V267 S297 G301 L302 I303 W325	L263-A299 HydrophobicContact CD2-CB 4.31Å; V267-A299 HydrophobicContact CG2-CB 3.86Å; S297-A299 PolarHBondContact O-N 3.08Å; S297-A299 WeakPolarHBondContact OG-CB 3.24Å; S297-A299 PolarHBondContact OG-N 2.81Å; S297-A299 VanDerWaalsContact OG-N 3.17Å; A299-G301 VanDerWaalsContact C-N 3.25Å; A299-G301 PolarHBondContact O-N 2.99Å; A299-G301 VanDerWaalsContact O-N 3.09Å; A299-L302 WeakPolarHBondContact O-CB 3.41Å; A299-L302 PolarHBondContact O-N 3.06Å; A299-I303 HydrophobicContact CB-CD1 3.99Å; A299-I303 HydrophobicContact CB-CG1 4.43Å; A299-I303 WeakPolarHBondContact O-CG1 3.47Å; A299-I303 PolarHBondContact O-N 3.43Å; A299-W325 HydrophobicContact CB-CD2 4.14Å; A299-W325 HydrophobicContact CB-CH2 4.43Å; A299-W325 HydrophobicContact CB-CZ2 3.84Å
300	R	95.5	Very high	93.1	Very high	134 Å²	134	63.4 Å²	63.4	51%	0.506	32%	0.323	S	S	.	.	H	α-helix	trans	-52.8	-37.8	-170	70.8	-173.5	176.7	156.8	-1	114.2	S297 D298 I303 R304	S297-R300 WeakPolarHBondContact O-CB 3.24Å; S297-R300 VanDerWaalsContact O-CG 3.23Å; S297-R300 WeakPolarHBondContact O-CG 3.32Å; S297-R300 PolarHBondContact O-N 3.4Å; S297-R300 VanDerWaalsContact O-N 3.11Å; D298-R300 PolarHBondContact O-N 2.89Å; R300-I303 PolarHBondContact O-N 2.94Å; R300-R304 WeakPolarHBondContact O-CG 3.29Å; R300-R304 PolarHBondContact O-N 3.29Å
301	G	96.4	Very high	93.3	Very high	40 Å²	40	64 Å²	64	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-37.9	179.8	0	0	0	0	0	112.7	A299 W305	A299-G301 VanDerWaalsContact C-N 3.25Å; A299-G301 PolarHBondContact O-N 2.99Å; A299-G301 VanDerWaalsContact O-N 3.09Å; G301-W305 PolarHBondContact O-N 3.41Å
302	L	98.2	Very high	93.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-72.2	-41	175.8	-178.3	60.6	0	0	0	111.4	F179 L263 A299 R304 W305 M306 I320 H323 W325 V326	F179-L302 HydrophobicContact CE1-CD2 4.18Å; L263-L302 HydrophobicContact CD2-CD2 3.94Å; L263-L302 HydrophobicContact CD2-CG 4.3Å; A299-L302 WeakPolarHBondContact O-CB 3.41Å; A299-L302 PolarHBondContact O-N 3.06Å; L302-R304 PolarHBondContact O-N 3.17Å; L302-W305 PolarHBondContact O-N 3.02Å; L302-W305 VanDerWaalsContact O-N 3.14Å; L302-M306 HydrophobicContact CD1-CG 4.3Å; L302-M306 HydrophobicContact CD2-CE 4.36Å; L302-M306 HydrophobicContact CG-CE 3.92Å; L302-M306 HydrophobicContact CG-CG 4.49Å; L302-M306 WeakPolarHBondContact O-CG 3.32Å; L302-M306 PolarHBondContact O-N 3.31Å; L302-I320 HydrophobicContact CD1-CG1 4.25Å; L302-I320 HydrophobicContact CD1-CG2 4.46Å; L302-I320 HydrophobicContact CD2-CG2 4.5Å; L302-H323 HydrophobicContact CD1-CB 3.97Å; L302-H323 HydrophobicContact CD2-CB 4.39Å; L302-W325 HydrophobicContact CD2-CE3 4.07Å; L302-V326 HydrophobicContact CD2-CG2 3.5Å; L302-V326 VanDerWaalsContact CD2-CG2 3.5Å
303	I	98.1	Very high	94.4	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-58	-49.7	175.6	-65.3	168.5	0	0	0	110.2	L263 Y264 V267 Y268 Y290 A299 R300 W305 M306 L307	L263-I303 HydrophobicContact CB-CG1 4.33Å; L263-I303 HydrophobicContact CD2-CD1 4.47Å; L263-I303 HydrophobicContact CD2-CG1 3.78Å; L263-I303 HydrophobicContact CG-CD1 4.18Å; L263-I303 HydrophobicContact CG-CG1 3.87Å; Y264-I303 HydrophobicContact CD2-CG2 4.19Å; V267-I303 HydrophobicContact CG2-CD1 4.41Å; Y268-I303 HydrophobicContact CE2-CD1 3.81Å; Y290-I303 HydrophobicContact CE2-CG2 4.47Å; A299-I303 HydrophobicContact CB-CD1 3.99Å; A299-I303 HydrophobicContact CB-CG1 4.43Å; A299-I303 WeakPolarHBondContact O-CG1 3.47Å; A299-I303 PolarHBondContact O-N 3.43Å; R300-I303 PolarHBondContact O-N 2.94Å; I303-W305 VanDerWaalsContact C-N 3.26Å; I303-W305 PolarHBondContact O-N 3.38Å; I303-M306 PolarHBondContact O-N 2.97Å; I303-L307 HydrophobicContact CG2-CD1 3.82Å; I303-L307 HydrophobicContact CG2-CG 4.44Å; I303-L307 WeakPolarHBondContact O-CB 3.37Å; I303-L307 WeakPolarHBondContact O-CG 3.21Å; I303-L307 PolarHBondContact O-N 3.5Å
304	R	97.3	Very high	95.1	Very high	133 Å²	133	67.5 Å²	67.5	50%	0.502	34%	0.339	S	S	.	.	H	α-helix	trans	-54.5	-39.8	174.2	-76.5	172.9	178.8	-158.5	-1.6	113.1	Y290 E292 R300 L302 L307 M308	Y290-R304 WeakPolarHBondContact OH-CG 3.35Å; E292-R304 VanDerWaalsContact OE1-CG 3.31Å; E292-R304 WeakPolarHBondContact OE1-CG 3.44Å; E292-R304 IonicContact OE1-CZ 3.66Å; E292-R304 IonicContact OE1-NE 2.8Å; E292-R304 PolarHBondContact OE1-NE 2.88Å; E292-R304 IonicContact OE1-NH2 2.71Å; E292-R304 IonicContact OE2-CZ 3.82Å; E292-R304 IonicContact OE2-NE 3.78Å; E292-R304 PolarHBondContact OE2-NE 3.37Å; E292-R304 IonicContact OE2-NH2 2.78Å; E292-R304 PolarHBondContact OE2-NH2 3.02Å; R300-R304 WeakPolarHBondContact O-CG 3.29Å; R300-R304 PolarHBondContact O-N 3.29Å; L302-R304 PolarHBondContact O-N 3.17Å; R304-L307 CarbonylContact O-C 3.49Å; R304-M308 VanDerWaalsContact O-CG 3.26Å; R304-M308 WeakPolarHBondContact O-CG 3.47Å; R304-M308 PolarHBondContact O-N 2.89Å
305	W	98.3	Very high	95.8	Very high	86 Å²	86	60 Å²	60	33%	0.326	29%	0.294	S	S	.	.	H	α-helix	trans	-76.5	-33.6	-177.7	-167.6	17	0	0	0	112.9	G301 L302 I303 R313 A315 D319	G301-W305 PolarHBondContact O-N 3.41Å; L302-W305 PolarHBondContact O-N 3.02Å; L302-W305 VanDerWaalsContact O-N 3.14Å; I303-W305 VanDerWaalsContact C-N 3.26Å; I303-W305 PolarHBondContact O-N 3.38Å; W305-R313 PolarHBondContact NE1-O 3.1Å; W305-R313 VanDerWaalsContact NE1-O 3.1Å; W305-A315 HydrophobicContact CB-CB 4.32Å; W305-A315 HydrophobicContact CD2-CB 3.55Å; W305-A315 HydrophobicContact CE3-CB 3.97Å; W305-A315 HydrophobicContact CG-CB 3.71Å; W305-A315 HydrophobicContact CZ2-CB 4.32Å; W305-A315 PolarHBondContact O-N 3.44Å; W305-D319 HydrophobicContact CH2-CB 3.49Å; W305-D319 VanDerWaalsContact CH2-CB 3.49Å; W305-D319 HydrophobicContact CZ2-CB 4.02Å; W305-D319 HydrophobicContact CZ3-CB 3.93Å
306	M	98.6	Very high	96.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-72.7	-32.2	171.6	-67.6	-164.7	-73.3	0	0	112.9	F179 L259 L263 L302 I303 M308 R314 A315 I320	F179-M306 HydrophobicContact CE1-CE 4.3Å; F179-M306 HydrophobicContact CE2-CE 4.34Å; F179-M306 HydrophobicContact CZ-CE 3.62Å; F179-M306 HydrophobicContact CZ-SD 3.88Å; L259-M306 HydrophobicContact CB-SD 3.85Å; L263-M306 HydrophobicContact CB-CE 3.76Å; L263-M306 HydrophobicContact CD2-CE 3.46Å; L263-M306 VanDerWaalsContact CD2-CE 3.46Å; L263-M306 HydrophobicContact CG-CE 4.24Å; L302-M306 HydrophobicContact CD1-CG 4.3Å; L302-M306 HydrophobicContact CD2-CE 4.36Å; L302-M306 HydrophobicContact CG-CE 3.92Å; L302-M306 HydrophobicContact CG-CG 4.49Å; L302-M306 WeakPolarHBondContact O-CG 3.32Å; L302-M306 PolarHBondContact O-N 3.31Å; I303-M306 PolarHBondContact O-N 2.97Å; M306-M308 VanDerWaalsContact C-N 3.35Å; M306-R314 VanDerWaalsContact O-CD 3.3Å; M306-R314 WeakPolarHBondContact O-CD 3.38Å; M306-R314 WeakPolarHBondContact O-CG 3.4Å; M306-A315 HydrophobicContact CG-CB 4.23Å; M306-I320 HydrophobicContact CG-CD1 3.64Å; M306-I320 HydrophobicContact CG-CG1 3.8Å; M306-I320 HydrophobicContact SD-CD1 3.47Å; M306-I320 WeakPolarHBondContact SD-CD1 3.5Å; M306-I320 HydrophobicContact SD-CG1 3.76Å; M306-I320 HydrophobicContact SD-CG2 3.97Å
307	L	98.3	Very high	97.2	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	24.9	178.3	-61.6	-179.6	0	0	0	113.5	W257 V261 Y290 I303 R304	W257-L307 HydrophobicContact CD2-CD2 3.82Å; W257-L307 HydrophobicContact CE3-CB 4.49Å; W257-L307 HydrophobicContact CE3-CD2 4.04Å; W257-L307 HydrophobicContact CG-CD2 4.3Å; W257-L307 HydrophobicContact CH2-CD2 4.47Å; W257-L307 HydrophobicContact CZ2-CD2 4.26Å; W257-L307 HydrophobicContact CZ3-CB 4.28Å; W257-L307 HydrophobicContact CZ3-CD2 4.36Å; W257-L307 WeakPolarHBondContact CZ3-O 3.17Å; V261-L307 HydrophobicContact CG2-CD2 3.95Å; Y290-L307 HydrophobicContact CD1-CB 4.43Å; Y290-L307 HydrophobicContact CD1-CD1 3.9Å; Y290-L307 HydrophobicContact CE1-CB 4.03Å; Y290-L307 HydrophobicContact CE1-CD1 3.87Å; Y290-L307 HydrophobicContact CE2-CD1 4.48Å; Y290-L307 HydrophobicContact CG-CD1 4.25Å; I303-L307 HydrophobicContact CG2-CD1 3.82Å; I303-L307 HydrophobicContact CG2-CG 4.44Å; I303-L307 WeakPolarHBondContact O-CB 3.37Å; I303-L307 WeakPolarHBondContact O-CG 3.21Å; I303-L307 PolarHBondContact O-N 3.5Å; R304-L307 CarbonylContact O-C 3.49Å
308	M	98.1	Very high	97.4	Very high	50 Å²	50	57.2 Å²	57.2	25%	0.246	28%	0.275	C	S	.	.			trans	-72.6	129	170.9	-69.4	-163.8	66.8	0	0	111.1	R304 M306 R313 R314	R304-M308 VanDerWaalsContact O-CG 3.26Å; R304-M308 WeakPolarHBondContact O-CG 3.47Å; R304-M308 PolarHBondContact O-N 2.89Å; M306-M308 VanDerWaalsContact C-N 3.35Å; M308-R313 HydrophobicContact CE-CB 3.68Å; M308-R313 HydrophobicContact SD-CB 4.16Å; M308-R313 VanDerWaalsContact SD-O 3.34Å; M308-R314 HydrophobicContact CB-CB 4.3Å; M308-R314 HydrophobicContact CB-CG 4.48Å; M308-R314 PolarHBondContact O-NE 2.91Å; M308-R314 PolarHBondContact O-NH2 2.98Å
309	V	98.1	Very high	97.5	Very high	54 Å²	54	55.6 Å²	55.6	33%	0.327	27%	0.266	S	S	.	.	S	Bend	trans	-61.4	-52	-177.4	176.3	0	0	0	0	112	P241 S286 P311 R314	P241-V309 HydrophobicContact CB-CG1 4.11Å; P241-V309 HydrophobicContact CG-CB 4.48Å; P241-V309 HydrophobicContact CG-CG1 4.12Å; S286-V309 VanDerWaalsContact O-CG1 3.29Å; S286-V309 WeakPolarHBondContact O-CG1 3.48Å; V309-P311 VanDerWaalsContact O-CD 3.31Å; V309-P311 WeakPolarHBondContact O-CD 3.44Å; V309-R314 PolarHBondContact O-NH2 3.39Å
310	N	97.9	Very high	97.6	Very high	64 Å²	64	55.6 Å²	55.6	34%	0.342	27%	0.266	S	S	.	.	S	Bend	trans	-67	117.2	174.7	179.2	-9.8	0	0	0	109.6	E312 R313 R314	N310-E312 VanDerWaalsContact C-N 3.29Å; N310-E312 PolarHBondContact ND2-OE2 3.1Å; N310-E312 PolarHBondContact O-N 2.84Å; N310-E312 WeakPolarHBondContact OD1-CB 3.47Å; N310-E312 WeakPolarHBondContact OD1-CG 3.2Å; N310-E312 PolarHBondContact OD1-N 2.91Å; N310-E312 PolarHBondContact OD1-OE2 3.34Å; N310-R313 PolarHBondContact O-N 3.14Å; N310-R314 PolarHBondContact O-N 3.47Å
311	P	97.2	Very high	97.6	Very high	51 Å²	51	49.2 Å²	49.2	33%	0.331	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.3	-31.3	179.4	25.7	-34.9	0	0	0	113.9	E253 V309 R313 R314	E253-P311 HydrophobicContact CB-CB 3.99Å; E253-P311 HydrophobicContact CG-CB 3.76Å; V309-P311 VanDerWaalsContact O-CD 3.31Å; V309-P311 WeakPolarHBondContact O-CD 3.44Å; P311-R313 PolarHBondContact O-N 2.91Å; P311-R314 WeakPolarHBondContact O-CB 3.49Å; P311-R314 PolarHBondContact O-N 3.03Å
312	E	96.3	Very high	97.6	Very high	169 Å²	169	49.8 Å²	49.8	79%	0.79	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-64.7	-22.9	178.6	-55.1	172.1	135.6	0	0	113.1	N310	N310-E312 VanDerWaalsContact C-N 3.29Å; N310-E312 PolarHBondContact ND2-OE2 3.1Å; N310-E312 PolarHBondContact O-N 2.84Å; N310-E312 WeakPolarHBondContact OD1-CB 3.47Å; N310-E312 WeakPolarHBondContact OD1-CG 3.2Å; N310-E312 PolarHBondContact OD1-N 2.91Å; N310-E312 PolarHBondContact OD1-OE2 3.34Å
313	R	97.6	Very high	97.5	Very high	165 Å²	165	51.1 Å²	51.1	62%	0.623	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-103.9	-10.9	179.4	-61.6	-175.1	64.2	-168.1	-1.9	112.7	W305 M308 N310 P311	W305-R313 PolarHBondContact NE1-O 3.1Å; W305-R313 VanDerWaalsContact NE1-O 3.1Å; M308-R313 HydrophobicContact CE-CB 3.68Å; M308-R313 HydrophobicContact SD-CB 4.16Å; M308-R313 VanDerWaalsContact SD-O 3.34Å; N310-R313 PolarHBondContact O-N 3.14Å; P311-R313 PolarHBondContact O-N 2.91Å
314	R	98.5	Very high	97.5	Very high	9 Å²	9	57.5 Å²	57.5	3%	0.034	27%	0.266	C	S	.	.	S	Bend	trans	-70	145	179.6	-161.9	-177	-60.9	156.6	5.4	109.8	E242 E253 M306 M308 V309 N310 P311 T316	E242-R314 IonicContact OE1-CZ 3.2Å; E242-R314 IonicContact OE1-NH1 3.12Å; E242-R314 PolarHBondContact OE1-NH1 3.26Å; E242-R314 IonicContact OE1-NH2 2.8Å; E242-R314 PolarHBondContact OE1-NH2 2.82Å; E242-R314 IonicContact OE2-CZ 2.63Å; E242-R314 IonicContact OE2-NH1 3.4Å; E242-R314 IonicContact OE2-NH2 3.95Å; E242-R314 PolarHBondContact OE2-NH2 2.88Å; E253-R314 WeakPolarHBondContact O-CD 3.49Å; E253-R314 PolarHBondContact O-NH1 3.11Å; M306-R314 VanDerWaalsContact O-CD 3.3Å; M306-R314 WeakPolarHBondContact O-CD 3.38Å; M306-R314 WeakPolarHBondContact O-CG 3.4Å; M308-R314 HydrophobicContact CB-CB 4.3Å; M308-R314 HydrophobicContact CB-CG 4.48Å; M308-R314 PolarHBondContact O-NE 2.91Å; M308-R314 PolarHBondContact O-NH2 2.98Å; V309-R314 PolarHBondContact O-NH2 3.39Å; N310-R314 PolarHBondContact O-N 3.47Å; P311-R314 WeakPolarHBondContact O-CB 3.49Å; P311-R314 PolarHBondContact O-N 3.03Å; R314-T316 PolarHBondContact O-N 2.73Å
315	A	98.4	Very high	97.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-59.2	129.9	177.8	0	0	0	0	0	110.9	S256 W305 M306 D319 I320	S256-A315 WeakPolarHBondContact CB-O 3.5Å; S256-A315 PolarHBondContact OG-O 2.85Å; W305-A315 HydrophobicContact CB-CB 4.32Å; W305-A315 HydrophobicContact CD2-CB 3.55Å; W305-A315 HydrophobicContact CE3-CB 3.97Å; W305-A315 HydrophobicContact CG-CB 3.71Å; W305-A315 HydrophobicContact CZ2-CB 4.32Å; W305-A315 PolarHBondContact O-N 3.44Å; M306-A315 HydrophobicContact CG-CB 4.23Å; A315-D319 HydrophobicContact CB-CB 4.34Å; A315-I320 HydrophobicContact CB-CD1 4.13Å; A315-I320 HydrophobicContact CB-CG1 3.7Å
316	T	97.8	Very high	97.4	Very high	69 Å²	69	47.1 Å²	47.1	42%	0.423	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-73.5	160.9	168.3	71.4	0	0	0	0	110	R314 E318 D319 I320	R314-T316 PolarHBondContact O-N 2.73Å; T316-E318 PolarHBondContact O-N 2.94Å; T316-E318 PolarHBondContact OG1-N 3.37Å; T316-D319 VanDerWaalsContact CB-OD2 3.3Å; T316-D319 WeakPolarHBondContact CB-OD2 3.42Å; T316-D319 WeakPolarHBondContact CG2-OD2 3.49Å; T316-D319 PolarHBondContact N-OD2 3.47Å; T316-D319 WeakPolarHBondContact O-CB 3.47Å; T316-D319 PolarHBondContact O-N 2.88Å; T316-D319 VanDerWaalsContact OG1-CG 3.27Å; T316-D319 PolarHBondContact OG1-N 2.9Å; T316-D319 VanDerWaalsContact OG1-N 3.11Å; T316-D319 PolarHBondContact OG1-OD2 3.39Å; T316-I320 WeakPolarHBondContact O-CD1 3.39Å; T316-I320 VanDerWaalsContact O-CG1 3.26Å; T316-I320 WeakPolarHBondContact O-CG1 3.47Å; T316-I320 PolarHBondContact O-N 2.88Å
317	V	97.2	Very high	97.3	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-24.5	175.6	-177.6	0	0	0	0	112.2	V183 V186 H187 H190 S256 L259 I320 A321	V183-V317 HydrophobicContact CG1-CG1 4.38Å; V186-V317 HydrophobicContact CB-CG1 4.35Å; V186-V317 HydrophobicContact CG1-CG1 4.17Å; V186-V317 HydrophobicContact CG1-CG2 4.11Å; H187-V317 HydrophobicContact CB-CG1 3.87Å; H190-V317 WeakPolarHBondContact CE1-CG2 3.4Å; H190-V317 WeakPolarHBondContact ND1-CG2 3.4Å; S256-V317 WeakPolarHBondContact OG-CG2 3.31Å; S256-V317 PolarHBondContact OG-N 3.07Å; L259-V317 HydrophobicContact CD1-CG1 4.39Å; L259-V317 HydrophobicContact CD1-CG2 3.94Å; V317-I320 HydrophobicContact CG2-CD1 4.44Å; V317-A321 WeakPolarHBondContact O-CB 3.38Å; V317-A321 PolarHBondContact O-N 3.47Å
318	E	95.8	Very high	97.2	Very high	67 Å²	67	56.1 Å²	56.1	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-69.8	-39.9	170	-174.4	171.2	-157.1	0	0	112.3	T316 N322 R358	T316-E318 PolarHBondContact O-N 2.94Å; T316-E318 PolarHBondContact OG1-N 3.37Å; E318-N322 PolarHBondContact O-N 3.04Å; E318-N322 PolarHBondContact O-ND2 3.18Å; E318-R358 IonicContact OE1-CZ 3.48Å; E318-R358 IonicContact OE1-NH2 2.8Å; E318-R358 PolarHBondContact OE1-NH2 2.86Å; E318-R358 VanDerWaalsContact OE1-NH2 3.12Å; E318-R358 IonicContact OE2-CZ 2.87Å; E318-R358 IonicContact OE2-NH1 2.81Å; E318-R358 PolarHBondContact OE2-NH1 3.24Å; E318-R358 IonicContact OE2-NH2 3.21Å; E318-R358 PolarHBondContact OE2-NH2 3.4Å
319	D	97.5	Very high	96.9	Very high	62 Å²	62	57.5 Å²	57.5	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-47.9	172.4	-63.4	-60.9	0	0	0	111.2	W305 A315 T316 A321 N322 H323	W305-D319 HydrophobicContact CH2-CB 3.49Å; W305-D319 VanDerWaalsContact CH2-CB 3.49Å; W305-D319 HydrophobicContact CZ2-CB 4.02Å; W305-D319 HydrophobicContact CZ3-CB 3.93Å; A315-D319 HydrophobicContact CB-CB 4.34Å; T316-D319 VanDerWaalsContact CB-OD2 3.3Å; T316-D319 WeakPolarHBondContact CB-OD2 3.42Å; T316-D319 WeakPolarHBondContact CG2-OD2 3.49Å; T316-D319 PolarHBondContact N-OD2 3.47Å; T316-D319 WeakPolarHBondContact O-CB 3.47Å; T316-D319 PolarHBondContact O-N 2.88Å; T316-D319 VanDerWaalsContact OG1-CG 3.27Å; T316-D319 PolarHBondContact OG1-N 2.9Å; T316-D319 VanDerWaalsContact OG1-N 3.11Å; T316-D319 PolarHBondContact OG1-OD2 3.39Å; D319-A321 VanDerWaalsContact C-N 3.35Å; D319-A321 PolarHBondContact O-N 3.37Å; D319-N322 CarbonylContact O-C 3.5Å; D319-N322 PolarHBondContact O-N 2.98Å; D319-N322 VanDerWaalsContact O-N 3.08Å; D319-H323 PolarHBondContact O-N 2.89Å
320	I	98.3	Very high	96.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-45.8	-179.7	-61.9	159.5	0	0	0	110.2	F179 V183 L259 L302 M306 A315 T316 V317 N322 H323 V326	F179-I320 HydrophobicContact CE1-CG2 3.76Å; F179-I320 HydrophobicContact CZ-CG2 3.92Å; V183-I320 HydrophobicContact CG1-CG2 4.08Å; V183-I320 HydrophobicContact CG2-CG2 3.73Å; L259-I320 HydrophobicContact CD1-CD1 4.3Å; L302-I320 HydrophobicContact CD1-CG1 4.25Å; L302-I320 HydrophobicContact CD1-CG2 4.46Å; L302-I320 HydrophobicContact CD2-CG2 4.5Å; M306-I320 HydrophobicContact CG-CD1 3.64Å; M306-I320 HydrophobicContact CG-CG1 3.8Å; M306-I320 HydrophobicContact SD-CD1 3.47Å; M306-I320 WeakPolarHBondContact SD-CD1 3.5Å; M306-I320 HydrophobicContact SD-CG1 3.76Å; M306-I320 HydrophobicContact SD-CG2 3.97Å; A315-I320 HydrophobicContact CB-CD1 4.13Å; A315-I320 HydrophobicContact CB-CG1 3.7Å; T316-I320 WeakPolarHBondContact O-CD1 3.39Å; T316-I320 VanDerWaalsContact O-CG1 3.26Å; T316-I320 WeakPolarHBondContact O-CG1 3.47Å; T316-I320 PolarHBondContact O-N 2.88Å; V317-I320 HydrophobicContact CG2-CD1 4.44Å; I320-N322 PolarHBondContact O-N 3.39Å; I320-H323 PolarHBondContact O-N 3.13Å; I320-V326 VanDerWaalsContact O-CG2 3.31Å; I320-V326 WeakPolarHBondContact O-CG2 3.48Å
321	A	96.9	Very high	95.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-26.5	177.5	0	0	0	0	0	113.6	V183 V317 D319 N327 V334	V183-A321 HydrophobicContact CG1-CB 3.79Å; V317-A321 WeakPolarHBondContact O-CB 3.38Å; V317-A321 PolarHBondContact O-N 3.47Å; D319-A321 VanDerWaalsContact C-N 3.35Å; D319-A321 PolarHBondContact O-N 3.37Å; A321-N327 PolarHBondContact O-ND2 3.47Å; A321-V334 HydrophobicContact CB-CB 4.04Å; A321-V334 HydrophobicContact CB-CG1 4.2Å
322	N	95.2	Very high	95.2	Very high	52 Å²	52	67.6 Å²	67.6	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-103.3	-11.8	-177.7	-68	-55	0	0	0	114.4	E318 D319 I320 W324 N327 S333 C335 R351	E318-N322 PolarHBondContact O-N 3.04Å; E318-N322 PolarHBondContact O-ND2 3.18Å; D319-N322 CarbonylContact O-C 3.5Å; D319-N322 PolarHBondContact O-N 2.98Å; D319-N322 VanDerWaalsContact O-N 3.08Å; I320-N322 PolarHBondContact O-N 3.39Å; N322-W324 PolarHBondContact O-N 3.38Å; N322-N327 VanDerWaalsContact C-ND2 3.29Å; N322-N327 WeakPolarHBondContact CA-ND2 3.32Å; N322-N327 PolarHBondContact O-ND2 3.01Å; N322-S333 PolarHBondContact OD1-OG 3.05Å; N322-C335 PolarHBondContact ND2-SG 2.84Å; N322-C335 PolarHBondContact OD1-SG 2.87Å; N322-R351 PolarHBondContact ND2-NH2 3.5Å; N322-R351 VanDerWaalsContact ND2-NH2 3.15Å; N322-R351 PolarHBondContact OD1-NH2 3.01Å
323	H	97.3	Very high	94.7	Very high	29 Å²	29	60.3 Å²	60.3	13%	0.134	29%	0.288	C	S	.	.			trans	-55	137.4	178.8	-172.6	-99.1	0	0	0	112.3	L302 D319 I320 W325 V326 N327	L302-H323 HydrophobicContact CD1-CB 3.97Å; L302-H323 HydrophobicContact CD2-CB 4.39Å; D319-H323 PolarHBondContact O-N 2.89Å; I320-H323 PolarHBondContact O-N 3.13Å; H323-W325 VanDerWaalsContact C-N 3.27Å; H323-W325 WeakPolarHBondContact ND1-CB 3.27Å; H323-W325 PolarHBondContact ND1-N 3.3Å; H323-W325 PolarHBondContact O-N 3.39Å; H323-V326 HydrophobicContact CB-CG2 4.41Å; H323-V326 PolarHBondContact O-N 3.22Å; H323-N327 PolarHBondContact O-N 3.01Å; H323-N327 PolarHBondContact O-ND2 3.27Å; H323-N327 VanDerWaalsContact O-ND2 3.08Å
324	W	96.2	Very high	94.1	Very high	136 Å²	136	52.5 Å²	52.5	52%	0.515	26%	0.258	S	S	.	.	H	α-helix	trans	-56	-39.7	-173.3	66.4	-89.8	0	0	0	112.6	D298 N322 V326 N327 W328	D298-W324 HydrophobicContact CB-CH2 3.88Å; D298-W324 HydrophobicContact CB-CZ3 4.48Å; N322-W324 PolarHBondContact O-N 3.38Å; W324-V326 VanDerWaalsContact C-N 3.32Å; W324-V326 PolarHBondContact O-N 3.48Å; W324-N327 CarbonylContact O-C 3.58Å; W324-N327 PolarHBondContact O-N 2.86Å; W324-N327 VanDerWaalsContact O-N 3.12Å; W324-W328 HydrophobicContact CE3-CE3 4.34Å; W324-W328 PolarHBondContact O-N 3.1Å
325	W	97.3	Very high	93	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-37	179.6	-179.9	92.9	0	0	0	112.2	E172 T175 R176 F179 L263 D298 A299 L302 H323 N327	E172-W325 HydrophobicContact CG-CZ2 4.09Å; E172-W325 PolarHBondContact OE1-NE1 2.92Å; T175-W325 HydrophobicContact CG2-CH2 4.18Å; R176-W325 HydrophobicContact CB-CH2 3.8Å; R176-W325 HydrophobicContact CB-CZ2 4.03Å; R176-W325 HydrophobicContact CB-CZ3 4.32Å; R176-W325 WeakPolarHBondContact CD-O 3.46Å; R176-W325 HydrophobicContact CG-CH2 4.31Å; R176-W325 HydrophobicContact CG-CZ3 4.36Å; R176-W325 PolarHBondContact NE-O 3.38Å; F179-W325 AromaticContact CD1-CZ3 3.92Å; F179-W325 HydrophobicContact CD1-CZ3 3.92Å; L263-W325 HydrophobicContact CD1-CH2 3.63Å; L263-W325 HydrophobicContact CD1-CZ3 3.84Å; L263-W325 HydrophobicContact CD2-CZ3 4.13Å; D298-W325 VanDerWaalsContact C-CD1 3.46Å; D298-W325 VanDerWaalsContact CB-CD1 3.49Å; A299-W325 HydrophobicContact CB-CD2 4.14Å; A299-W325 HydrophobicContact CB-CH2 4.43Å; A299-W325 HydrophobicContact CB-CZ2 3.84Å; L302-W325 HydrophobicContact CD2-CE3 4.07Å; H323-W325 VanDerWaalsContact C-N 3.27Å; H323-W325 WeakPolarHBondContact ND1-CB 3.27Å; H323-W325 PolarHBondContact ND1-N 3.3Å; H323-W325 PolarHBondContact O-N 3.39Å; W325-N327 VanDerWaalsContact C-N 3.26Å; W325-N327 PolarHBondContact O-N 3.02Å
326	V	97.4	Very high	91.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-31	177.7	177.5	0	0	0	0	110.3	F179 R180 L302 I320 H323 W324 V334	F179-V326 HydrophobicContact CD1-CG2 4.07Å; F179-V326 HydrophobicContact CE1-CG2 3.99Å; R180-V326 WeakPolarHBondContact CD-O 3Å; R180-V326 HydrophobicContact CG-CG1 3.69Å; R180-V326 WeakPolarHBondContact CG-O 3.44Å; R180-V326 PolarHBondContact NH1-O 3.06Å; L302-V326 HydrophobicContact CD2-CG2 3.5Å; L302-V326 VanDerWaalsContact CD2-CG2 3.5Å; I320-V326 VanDerWaalsContact O-CG2 3.31Å; I320-V326 WeakPolarHBondContact O-CG2 3.48Å; H323-V326 HydrophobicContact CB-CG2 4.41Å; H323-V326 PolarHBondContact O-N 3.22Å; W324-V326 VanDerWaalsContact C-N 3.32Å; W324-V326 PolarHBondContact O-N 3.48Å; V326-V334 HydrophobicContact CG1-CG2 3.67Å
327	N	96.3	Very high	89.3	Confident	27 Å²	27	53.5 Å²	53.5	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-96.9	-5.1	-176.6	-63.4	-63.3	0	0	0	114.7	R180 A321 N322 H323 W324 W325 G329 W330 S333 V334	R180-N327 PolarHBondContact NH1-OD1 3.02Å; A321-N327 PolarHBondContact O-ND2 3.47Å; N322-N327 VanDerWaalsContact C-ND2 3.29Å; N322-N327 WeakPolarHBondContact CA-ND2 3.32Å; N322-N327 PolarHBondContact O-ND2 3.01Å; H323-N327 PolarHBondContact O-N 3.01Å; H323-N327 PolarHBondContact O-ND2 3.27Å; H323-N327 VanDerWaalsContact O-ND2 3.08Å; W324-N327 CarbonylContact O-C 3.58Å; W324-N327 PolarHBondContact O-N 2.86Å; W324-N327 VanDerWaalsContact O-N 3.12Å; W325-N327 VanDerWaalsContact C-N 3.26Å; W325-N327 PolarHBondContact O-N 3.02Å; N327-G329 PolarHBondContact O-N 2.97Å; N327-W330 PolarHBondContact O-N 3.36Å; N327-S333 VanDerWaalsContact OD1-CA 3.27Å; N327-S333 WeakPolarHBondContact OD1-CA 3.42Å; N327-V334 PolarHBondContact OD1-N 3.19Å
328	W	95.3	Very high	87	Confident	170 Å²	170	55.4 Å²	55.4	64%	0.644	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	121.8	-178.5	-171.9	-96.1	0	0	0	112.7	R176 W324	R176-W328 VanDerWaalsContact CD-O 3.31Å; R176-W328 WeakPolarHBondContact CD-O 3.4Å; W324-W328 HydrophobicContact CE3-CE3 4.34Å; W324-W328 PolarHBondContact O-N 3.1Å
329	G	92.6	Very high	84.6	Confident	79 Å²	79	54 Å²	54	81%	0.814	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	5.7	-177.7	0	0	0	0	0	115.6	N327	N327-G329 PolarHBondContact O-N 2.97Å
330	W	90.3	Very high	82	Confident	119 Å²	119	58.2 Å²	58.2	45%	0.451	29%	0.292	S	S	.	.			trans	-114.1	141.4	178.9	-65.3	80.5	0	0	0	111.5	H177 R180 N327	H177-W330 HydrophobicContact CB-CZ2 4.48Å; H177-W330 AromaticContact CE1-CH2 3.99Å; H177-W330 AromaticContact ND1-CH2 3.48Å; H177-W330 WeakPolarHBondContact ND1-CH2 3.34Å; H177-W330 AromaticContact ND1-CZ2 3.47Å; H177-W330 WeakPolarHBondContact ND1-CZ2 3.42Å; R180-W330 VanDerWaalsContact CD-NE1 3.3Å; R180-W330 VanDerWaalsContact CZ-CG 3.44Å; R180-W330 VanDerWaalsContact NE-CD2 3.28Å; N327-W330 PolarHBondContact O-N 3.36Å
331	K	82.9	Confident	79.7	Confident	209 Å²	209	67 Å²	67	91%	0.909	33%	0.325	S	S	*	.	S	Bend	trans	-75.8	-24.4	-178.9	-66.8	-175.3	178.7	-179	0	114.1
332	N	84.5	Confident	77.3	Confident	53 Å²	53	70.6 Å²	70.6	28%	0.283	35%	0.345	S	S	.	.	S	Bend	trans	-121.8	143	-176	-60.2	0.5	0	0	0	109.5	R180 D336 Q340	R180-N332 PolarHBondContact NH2-O 3.5Å; N332-D336 HydrophobicContact CB-CB 4.31Å; N332-Q340 PolarHBondContact ND2-OE1 3.03Å
333	S	85	Confident	75.1	Confident	16 Å²	16	75.7 Å²	75.7	11%	0.112	37%	0.366	C	S	.	.			trans	-68.9	160.4	169.7	124.1	0	0	0	0	111	N322 N327 C335 D336 C337 R351	N322-S333 PolarHBondContact OD1-OG 3.05Å; N327-S333 VanDerWaalsContact OD1-CA 3.27Å; N327-S333 WeakPolarHBondContact OD1-CA 3.42Å; S333-C335 PolarHBondContact O-N 3.03Å; S333-C335 PolarHBondContact OG-N 3.24Å; S333-C335 VanDerWaalsContact OG-N 3.08Å; S333-D336 WeakPolarHBondContact CB-OD2 3.49Å; S333-D336 PolarHBondContact N-OD2 2.86Å; S333-D336 PolarHBondContact O-N 3.29Å; S333-C337 PolarHBondContact O-N 3.13Å; S333-R351 PolarHBondContact OG-NH1 3.02Å
334	V	86.4	Confident	72.5	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.006	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.5	174.8	178.8	0	0	0	0	111.9	R180 V183 S184 A321 V326 N327 C337	R180-V334 HydrophobicContact CB-CG2 4.28Å; R180-V334 HydrophobicContact CG-CG2 4.07Å; V183-V334 HydrophobicContact CG1-CG1 4.23Å; S184-V334 VanDerWaalsContact CA-CG1 3.5Å; A321-V334 HydrophobicContact CB-CB 4.04Å; A321-V334 HydrophobicContact CB-CG1 4.2Å; V326-V334 HydrophobicContact CG1-CG2 3.67Å; N327-V334 PolarHBondContact OD1-N 3.19Å; V334-C337 PolarHBondContact O-SG 3.12Å
335	C	75.1	Confident	70.3	Confident	14 Å²	14	75 Å²	75	10%	0.095	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-24.5	174.8	-53.3	0	0	0	0	113.3	H187 N322 S333	H187-C335 VanDerWaalsContact CE1-SG 3.6Å; N322-C335 PolarHBondContact ND2-SG 2.84Å; N322-C335 PolarHBondContact OD1-SG 2.87Å; S333-C335 PolarHBondContact O-N 3.03Å; S333-C335 PolarHBondContact OG-N 3.24Å; S333-C335 VanDerWaalsContact OG-N 3.08Å
336	D	64	Low	68.1	Low	35 Å²	35	78.7 Å²	78.7	19%	0.187	44%	0.435	C	S	.	.	H	α-helix	trans	-88.1	-21.9	-172.3	-54.7	-45.3	0	0	0	113.1	N332 S333 E338 A339 Q340 P347 R351	N332-D336 HydrophobicContact CB-CB 4.31Å; S333-D336 WeakPolarHBondContact CB-OD2 3.49Å; S333-D336 PolarHBondContact N-OD2 2.86Å; S333-D336 PolarHBondContact O-N 3.29Å; D336-E338 PolarHBondContact O-N 3.39Å; D336-A339 PolarHBondContact O-N 3.02Å; D336-A339 VanDerWaalsContact O-N 3.16Å; D336-Q340 PolarHBondContact O-N 2.74Å; D336-P347 WeakPolarHBondContact OD1-CB 3.34Å; D336-R351 IonicContact OD1-CZ 2.74Å; D336-R351 IonicContact OD1-NH1 3.86Å; D336-R351 PolarHBondContact OD1-NH1 3.49Å; D336-R351 IonicContact OD2-NH1 2.63Å
337	C	53.7	Low	66.2	Low	50 Å²	50	80.7 Å²	80.7	34%	0.338	45%	0.448	S	S	.	.	H	α-helix	trans	-72.2	-12.1	178.5	50.8	0	0	0	0	114.4	S333 V334	S333-C337 PolarHBondContact O-N 3.13Å; V334-C337 PolarHBondContact O-SG 3.12Å
338	E	50	Low	63.8	Low	45 Å²	45	86.8 Å²	86.8	21%	0.21	48%	0.478	C	S	.	.	H	α-helix	trans	-76.1	-47.6	163.6	-63.4	-169.7	114.9	0	0	110.9	H187 H188 K191 D336 Q340 R341	H187-E338 IonicContact ND1-OE2 2.73Å; H188-E338 IonicContact CE1-OE1 2.83Å; H188-E338 IonicContact CG-OE1 2.89Å; H188-E338 IonicContact ND1-OE1 3.7Å; H188-E338 PolarHBondContact ND1-OE1 3.26Å; K191-E338 IonicContact NZ-OE2 3.6Å; K191-E338 PolarHBondContact NZ-OE2 3.36Å; D336-E338 PolarHBondContact O-N 3.39Å; E338-Q340 PolarHBondContact O-N 2.92Å; E338-R341 PolarHBondContact O-N 2.98Å
339	A	45	Very low	61.7	Low	38 Å²	38	84 Å²	84	31%	0.314	48%	0.475	S	S	.	.	H	α-helix	trans	-62.7	-25.5	-175.9	0	0	0	0	0	113.8	D336 R341 P347	D336-A339 PolarHBondContact O-N 3.02Å; D336-A339 VanDerWaalsContact O-N 3.16Å; A339-R341 PolarHBondContact O-N 3.44Å; A339-P347 HydrophobicContact CB-CG 4.1Å
340	Q	42.8	Very low	60	Low	150 Å²	150	83.3 Å²	83.3	70%	0.701	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.5	174.1	-90.6	-174	-17.1	0	0	115.2	N332 D336 E338	N332-Q340 PolarHBondContact ND2-OE1 3.03Å; D336-Q340 PolarHBondContact O-N 2.74Å; E338-Q340 PolarHBondContact O-N 2.92Å
341	R	50.2	Low	58.4	Low	183 Å²	183	81.7 Å²	81.7	69%	0.691	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-32.7	173.6	-66.2	-176.4	177.4	-179.3	-0.9	113.6	E338 A339	E338-R341 PolarHBondContact O-N 2.98Å; A339-R341 PolarHBondContact O-N 3.44Å
342	D	46.6	Very low	57.1	Low	77 Å²	77	76.8 Å²	76.8	41%	0.412	43%	0.434	S	S	.	.	S	Bend	trans	-122.6	106.3	178.6	-84.8	4.7	0	0	0	110.8	R57	R57-D342 IonicContact CZ-OD1 3.82Å; R57-D342 IonicContact CZ-OD2 2.68Å; R57-D342 VanDerWaalsContact CZ-OD2 3.26Å; R57-D342 IonicContact NH1-OD2 2.76Å; R57-D342 PolarHBondContact NH1-OD2 3.37Å; R57-D342 IonicContact NH2-OD1 3.83Å; R57-D342 PolarHBondContact NH2-OD1 3.36Å; R57-D342 IonicContact NH2-OD2 3.26Å; R57-D342 PolarHBondContact NH2-OD2 3.11Å
343	H	47.5	Very low	56.2	Low	158 Å²	158	78.4 Å²	78.4	73%	0.731	44%	0.442	S	S	*	.			trans	68.7	125.6	170.3	-48.4	-72.6	0	0	0	118.6	G345	H343-G345 PolarHBondContact O-N 2.95Å
344	G	42.9	Very low	54.9	Low	94 Å²	94	80.8 Å²	80.8	97%	0.969	45%	0.453	S	S	*	.			trans	-74.7	42.3	-177.2	0	0	0	0	0	116.7
345	G	49.7	Very low	53.5	Low	56 Å²	56	88.1 Å²	88.1	58%	0.577	48%	0.481	S	S	*	.			trans	-77.2	149.6	166.8	0	0	0	0	0	111.4	H343 P347	H343-G345 PolarHBondContact O-N 2.95Å; G345-P347 VanDerWaalsContact O-CD 3.28Å; G345-P347 WeakPolarHBondContact O-CD 3.31Å
346	S	51	Low	52.3	Low	79 Å²	79	91.8 Å²	91.8	55%	0.552	50%	0.497	S	S	*	.			trans	-73.5	117.4	174.8	-174.6	0	0	0	0	110.3	M348 L349	S346-M348 PolarHBondContact O-N 3.28Å; S346-L349 PolarHBondContact O-N 3Å; S346-L349 VanDerWaalsContact O-N 3.15Å
347	P	59.1	Low	51.9	Low	42 Å²	42	95.6 Å²	95.6	27%	0.273	52%	0.517	S	S	.	.	H	α-helix	trans	-59.7	-35.7	-176.3	-25.2	35.5	0	0	0	112.6	D336 A339 G345 L349 A350 R351	D336-P347 WeakPolarHBondContact OD1-CB 3.34Å; A339-P347 HydrophobicContact CB-CG 4.1Å; G345-P347 VanDerWaalsContact O-CD 3.28Å; G345-P347 WeakPolarHBondContact O-CD 3.31Å; P347-L349 VanDerWaalsContact C-N 3.25Å; P347-L349 PolarHBondContact O-N 3.48Å; P347-A350 PolarHBondContact O-N 3.31Å; P347-R351 WeakPolarHBondContact O-CB 3.44Å; P347-R351 WeakPolarHBondContact O-CD 3.44Å; P347-R351 WeakPolarHBondContact O-CG 3.48Å; P347-R351 PolarHBondContact O-N 3.22Å
348	M	45.7	Very low	51.6	Low	154 Å²	154	100.3 Å²	100.3	76%	0.759	53%	0.528	S	S	*	.	H	α-helix	trans	-52.2	-39.9	177.5	-69.1	-82.2	-77.9	0	0	113.1	S346 F352	S346-M348 PolarHBondContact O-N 3.28Å; M348-F352 WeakPolarHBondContact O-CB 3.18Å; M348-F352 PolarHBondContact O-N 3.14Å
349	L	50.1	Low	51.2	Low	113 Å²	113	101.5 Å²	101.5	59%	0.592	54%	0.538	S	S	*	.	H	α-helix	trans	-75.2	-43.4	-176.4	-177.1	60.1	0	0	0	112	S346 P347 R351 F352 I353	S346-L349 PolarHBondContact O-N 3Å; S346-L349 VanDerWaalsContact O-N 3.15Å; P347-L349 VanDerWaalsContact C-N 3.25Å; P347-L349 PolarHBondContact O-N 3.48Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.5Å; L349-F352 PolarHBondContact O-N 2.97Å; L349-I353 HydrophobicContact CG-CD1 4.36Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 3.12Å; L349-I353 VanDerWaalsContact O-N 3.17Å
350	A	58.1	Low	50.9	Low	64 Å²	64	106.6 Å²	106.6	53%	0.529	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-39	174.8	0	0	0	0	0	111.6	P347 I353 D354	P347-A350 PolarHBondContact O-N 3.31Å; A350-I353 PolarHBondContact O-N 2.95Å; A350-D354 PolarHBondContact O-N 3.29Å
351	R	56.8	Low	50.7	Low	85 Å²	85	104.8 Å²	104.8	32%	0.321	56%	0.557	S	S	.	*	H	α-helix	trans	-72.9	-33.4	-179.7	-65.1	170.2	72	162.7	6.9	112.7	N322 S333 D336 P347 L349 W355	N322-R351 PolarHBondContact ND2-NH2 3.5Å; N322-R351 VanDerWaalsContact ND2-NH2 3.15Å; N322-R351 PolarHBondContact OD1-NH2 3.01Å; S333-R351 PolarHBondContact OG-NH1 3.02Å; D336-R351 IonicContact OD1-CZ 2.74Å; D336-R351 IonicContact OD1-NH1 3.86Å; D336-R351 PolarHBondContact OD1-NH1 3.49Å; D336-R351 IonicContact OD2-NH1 2.63Å; P347-R351 WeakPolarHBondContact O-CB 3.44Å; P347-R351 WeakPolarHBondContact O-CD 3.44Å; P347-R351 WeakPolarHBondContact O-CG 3.48Å; P347-R351 PolarHBondContact O-N 3.22Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.5Å; R351-W355 WeakPolarHBondContact O-CB 3.48Å; R351-W355 PolarHBondContact O-N 3.1Å
352	F	54.6	Low	50.2	Low	106 Å²	106	107.8 Å²	107.8	47%	0.465	57%	0.568	S	S	.	*	H	α-helix	trans	-63.7	-43.1	170.5	-179.7	-101.8	0	0	0	111.8	M348 L349 W355 Q356	M348-F352 WeakPolarHBondContact O-CB 3.18Å; M348-F352 PolarHBondContact O-N 3.14Å; L349-F352 PolarHBondContact O-N 2.97Å; F352-W355 HydrophobicContact CE2-CE3 4.46Å; F352-W355 HydrophobicContact CE2-CZ3 4.5Å; F352-W355 PolarHBondContact O-N 3.36Å; F352-Q356 HydrophobicContact CD1-CG 4.47Å; F352-Q356 VanDerWaalsContact CE1-CD 3.44Å; F352-Q356 HydrophobicContact CE1-CG 4.06Å; F352-Q356 HydrophobicContact CE2-CG 4.45Å; F352-Q356 HydrophobicContact CZ-CG 4.05Å; F352-Q356 WeakPolarHBondContact O-CG 3.43Å; F352-Q356 PolarHBondContact O-N 3.46Å
353	I	65.4	Low	49.7	Very low	86 Å²	86	109.6 Å²	109.6	44%	0.441	59%	0.587	S	S	.	*	H	α-helix	trans	-62.9	-45.2	177.4	-67.4	163.7	0	0	0	111.1	L349 A350 Q356 N357	L349-I353 HydrophobicContact CG-CD1 4.36Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 3.12Å; L349-I353 VanDerWaalsContact O-N 3.17Å; A350-I353 PolarHBondContact O-N 2.95Å; I353-Q356 PolarHBondContact O-N 3.38Å; I353-N357 VanDerWaalsContact O-CG 3.27Å; I353-N357 PolarHBondContact O-N 2.83Å; I353-N357 VanDerWaalsContact O-N 3.09Å; I353-N357 PolarHBondContact O-ND2 2.99Å; I353-N357 VanDerWaalsContact O-ND2 3.09Å
354	D	58.5	Low	49.3	Very low	66 Å²	66	107.4 Å²	107.4	35%	0.353	60%	0.596	S	S	.	*	H	α-helix	trans	-64.8	-40.1	176.9	-167.1	69.2	0	0	0	112.4	A350 Q356 N357 R358	A350-D354 PolarHBondContact O-N 3.29Å; D354-Q356 PolarHBondContact O-N 3.15Å; D354-N357 WeakPolarHBondContact O-CB 3.12Å; D354-N357 PolarHBondContact O-N 2.71Å; D354-N357 VanDerWaalsContact O-N 3.17Å; D354-R358 WeakPolarHBondContact O-CG 3.23Å; D354-R358 PolarHBondContact O-N 2.95Å; D354-R358 VanDerWaalsContact O-N 3.15Å; D354-R358 IonicContact OD2-CZ 3.61Å; D354-R358 IonicContact OD2-NE 2.82Å; D354-R358 PolarHBondContact OD2-NE 2.75Å; D354-R358 IonicContact OD2-NH2 3.55Å; D354-R358 PolarHBondContact OD2-NH2 3.22Å
355	W	56.2	Low	49.1	Very low	155 Å²	155	106.6 Å²	106.6	59%	0.587	59%	0.587	S	S	*	*	H	α-helix	trans	-60.8	-44.9	175.3	178.8	79.5	0	0	0	112.5	R351 F352 N357 R358 T359	R351-W355 WeakPolarHBondContact O-CB 3.48Å; R351-W355 PolarHBondContact O-N 3.1Å; F352-W355 HydrophobicContact CE2-CE3 4.46Å; F352-W355 HydrophobicContact CE2-CZ3 4.5Å; F352-W355 PolarHBondContact O-N 3.36Å; W355-N357 VanDerWaalsContact C-N 3.29Å; W355-N357 PolarHBondContact O-N 2.85Å; W355-R358 PolarHBondContact O-N 3.3Å; W355-R358 VanDerWaalsContact O-N 3.07Å; W355-T359 HydrophobicContact CD2-CG2 4.39Å; W355-T359 HydrophobicContact CZ2-CG2 3.95Å; W355-T359 PolarHBondContact O-N 3.43Å; W355-T359 PolarHBondContact O-OG1 2.9Å
356	Q	50.8	Low	48.3	Very low	92 Å²	92	108.8 Å²	108.8	43%	0.43	60%	0.6	S	S	.	*	H	α-helix	trans	-60.3	-38.8	174.2	-70.7	-167	-70.6	0	0	112.2	F352 I353 D354 R358 T359 E360	F352-Q356 HydrophobicContact CD1-CG 4.47Å; F352-Q356 VanDerWaalsContact CE1-CD 3.44Å; F352-Q356 HydrophobicContact CE1-CG 4.06Å; F352-Q356 HydrophobicContact CE2-CG 4.45Å; F352-Q356 HydrophobicContact CZ-CG 4.05Å; F352-Q356 WeakPolarHBondContact O-CG 3.43Å; F352-Q356 PolarHBondContact O-N 3.46Å; I353-Q356 PolarHBondContact O-N 3.38Å; D354-Q356 PolarHBondContact O-N 3.15Å; Q356-R358 PolarHBondContact O-N 2.85Å; Q356-T359 PolarHBondContact O-N 3.29Å; Q356-T359 PolarHBondContact O-OG1 3.3Å; Q356-E360 PolarHBondContact O-N 2.89Å
357	N	55.4	Low	47.6	Very low	114 Å²	114	114.8 Å²	114.8	61%	0.61	62%	0.616	S	S	*	*	H	α-helix	trans	-67.9	-16.4	176.8	-69.8	-36	0	0	0	113.9	I353 D354 W355	I353-N357 VanDerWaalsContact O-CG 3.27Å; I353-N357 PolarHBondContact O-N 2.83Å; I353-N357 VanDerWaalsContact O-N 3.09Å; I353-N357 PolarHBondContact O-ND2 2.99Å; I353-N357 VanDerWaalsContact O-ND2 3.09Å; D354-N357 WeakPolarHBondContact O-CB 3.12Å; D354-N357 PolarHBondContact O-N 2.71Å; D354-N357 VanDerWaalsContact O-N 3.17Å; W355-N357 VanDerWaalsContact C-N 3.29Å; W355-N357 PolarHBondContact O-N 2.85Å
358	R	48.2	Very low	46.5	Very low	150 Å²	150	118 Å²	118	57%	0.566	65%	0.646	S	S	*	*	H	α-helix	trans	-92.8	-20.4	175	-66	-177.5	-161.9	-162.6	12.3	113.7	E318 D354 W355 Q356	E318-R358 IonicContact OE1-CZ 3.48Å; E318-R358 IonicContact OE1-NH2 2.8Å; E318-R358 PolarHBondContact OE1-NH2 2.86Å; E318-R358 VanDerWaalsContact OE1-NH2 3.12Å; E318-R358 IonicContact OE2-CZ 2.87Å; E318-R358 IonicContact OE2-NH1 2.81Å; E318-R358 PolarHBondContact OE2-NH1 3.24Å; E318-R358 IonicContact OE2-NH2 3.21Å; E318-R358 PolarHBondContact OE2-NH2 3.4Å; D354-R358 WeakPolarHBondContact O-CG 3.23Å; D354-R358 PolarHBondContact O-N 2.95Å; D354-R358 VanDerWaalsContact O-N 3.15Å; D354-R358 IonicContact OD2-CZ 3.61Å; D354-R358 IonicContact OD2-NE 2.82Å; D354-R358 PolarHBondContact OD2-NE 2.75Å; D354-R358 IonicContact OD2-NH2 3.55Å; D354-R358 PolarHBondContact OD2-NH2 3.22Å; W355-R358 PolarHBondContact O-N 3.3Å; W355-R358 VanDerWaalsContact O-N 3.07Å; Q356-R358 PolarHBondContact O-N 2.85Å
359	T	41.8	Very low	45.8	Very low	70 Å²	70	115.1 Å²	115.1	43%	0.429	65%	0.647	S	S	.	*	H	α-helix	trans	-95	-18.2	-175.5	50.1	0	0	0	0	114.7	W355 Q356	W355-T359 HydrophobicContact CD2-CG2 4.39Å; W355-T359 HydrophobicContact CZ2-CG2 3.95Å; W355-T359 PolarHBondContact O-N 3.43Å; W355-T359 PolarHBondContact O-OG1 2.9Å; Q356-T359 PolarHBondContact O-N 3.29Å; Q356-T359 PolarHBondContact O-OG1 3.3Å
360	E	37.2	Very low	45.1	Very low	145 Å²	145	114.6 Å²	114.6	68%	0.678	66%	0.659	S	S	*	*	S	Bend	trans	-93	116.5	178.8	-72.7	-63.7	159.1	0	0	112.2	Q356 R362	Q356-E360 PolarHBondContact O-N 2.89Å; E360-R362 PolarHBondContact O-N 3.38Å; E360-R362 VanDerWaalsContact O-N 3.13Å
361	P	38.9	Very low	44	Very low	112 Å²	112	118 Å²	118	73%	0.727	67%	0.674	S	S	*	*			trans	-72	107.5	175.9	29.3	-32.8	0	0	0	110.3	S363	P361-S363 PolarHBondContact O-N 3.22Å
362	R	40.4	Very low	43.1	Very low	245 Å²	245	119 Å²	119	93%	0.925	69%	0.691	S	S	*	*			trans	-60.4	100.3	178.1	-84.1	-177.4	160.6	-177.3	-4.9	112.4	E360	E360-R362 PolarHBondContact O-N 3.38Å; E360-R362 VanDerWaalsContact O-N 3.13Å
363	S	35.3	Very low	42.2	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	71%	0.713	S	S	*	*			trans	-65.7	129.5	160.8	53.1	0	0	0	0	109.9	P361 G365	P361-S363 PolarHBondContact O-N 3.22Å; S363-G365 PolarHBondContact O-N 3.02Å
364	A	39	Very low	40.7	Very low	113 Å²	113	127 Å²	127	93%	0.934	73%	0.731	S	S	*	*	S	Bend	trans	-84.7	93	-175.1	0	0	0	0	0	111.3
365	G	39.7	Very low	39.3	Very low	76 Å²	76	130.7 Å²	130.7	78%	0.784	75%	0.75	S	S	*	*			trans	158.3	74.6	167.7	0	0	0	0	0	117.7	S363	S363-G365 PolarHBondContact O-N 3.02Å
366	A	33.1	Very low	38.1	Very low	103 Å²	103	134.9 Å²	134.9	85%	0.851	77%	0.766	S	S	*	*			trans	-148.3	144.3	158.2	0	0	0	0	0	110.7
367	K	36.3	Very low	37.2	Very low	204 Å²	204	138.8 Å²	138.8	89%	0.887	78%	0.784	S	S	*	*			trans	-79.6	147.2	175	-65.8	178.5	-178.6	176.5	0	109.9	A369	K367-A369 PolarHBondContact O-N 2.78Å
368	A	34.4	Very low	35.9	Very low	109 Å²	109	144.7 Å²	144.7	90%	0.901	80%	0.798	S	S	*	*			trans	-64.3	133.4	176.5	0	0	0	0	0	111.5
369	A	32.3	Very low	35.2	Very low	95 Å²	95	143.6 Å²	143.6	79%	0.785	81%	0.81	S	S	*	*			trans	-124.4	150.2	169.8	0	0	0	0	0	109.2	K367	K367-A369 PolarHBondContact O-N 2.78Å
370	A	35.2	Very low	34.6	Very low	102 Å²	102	150.3 Å²	150.3	84%	0.843	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74.1	147.7	-168.8	0	0	0	0	0	113.7
371	V	35.4	Very low	34.3	Very low	136 Å²	136	152.9 Å²	152.9	82%	0.824	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-91.6	124.4	175.4	179.9	0	0	0	0	109.9
372	P	36.3	Very low	33.9	Very low	106 Å²	106	153.1 Å²	153.1	69%	0.688	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-77.2	142.5	173.2	31.2	-33.4	0	0	0	111.6
373	Q	36.5	Very low	33.4	Very low	197 Å²	197	149.9 Å²	149.9	92%	0.921	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-73.8	136.1	174.6	-66.3	-177.8	-11.5	0	0	111.1
374	I	33.3	Very low	33.2	Very low	162 Å²	162	153.3 Å²	153.3	83%	0.831	84%	0.84	S	S	*	*			trans	-110.3	118.1	170.3	-67.3	173.3	0	0	0	109.9
375	L	30.5	Very low	32.8	Very low	144 Å²	144	154.3 Å²	154.3	75%	0.754	83%	0.825	S	S	*	*			trans	-74.8	130.6	-179.7	-172.8	70.8	0	0	0	111.4
376	R	30.5	Very low	32.3	Very low	243 Å²	243	157.1 Å²	157.1	92%	0.917	82%	0.823	S	S	*	*			trans	-71.7	127.9	171.8	-96.2	178.2	159	176	-4.7	111.3
377	Q	30.7	Very low	32.4	Very low	173 Å²	173	157.2 Å²	157.2	81%	0.808	81%	0.812	S	S	*	*			trans	-127.2	152.4	159.2	-65.7	-161.2	11.1	0	0	111.6
378	R	28.6	Very low	32	Very low	238 Å²	238	156.2 Å²	156.2	90%	0.898	81%	0.811	S	S	*	*			trans	-96.6	142	179	-78.6	171.8	158.6	168.1	-8.2	110.3
379	P	33.8	Very low	31.8	Very low	128 Å²	128	155.8 Å²	155.8	83%	0.831	81%	0.807	S	S	*	*			trans	-73.5	144.6	170	31.1	-34.1	0	0	0	112
380	K	29.8	Very low	31.6	Very low	210 Å²	210	154.4 Å²	154.4	91%	0.913	80%	0.803	S	S	*	*			trans	-117.7	160.4	160.2	-79.3	-173.8	176.1	-179.8	0	109.2
381	K	29.4	Very low	31.4	Very low	199 Å²	199	158.8 Å²	158.8	87%	0.865	81%	0.806	S	S	*	*			trans	-85	169.9	-172.7	-65.9	-177.6	174.8	-177.7	0	113.6
382	S	31.6	Very low	31	Very low	118 Å²	118	157.9 Å²	157.9	83%	0.825	81%	0.805	S	S	*	*			trans	87.5	154	153.3	-54.2	0	0	0	0	117.7
383	K	30.6	Very low	30.7	Very low	176 Å²	176	160.7 Å²	160.7	77%	0.765	81%	0.809	S	S	*	*			cis	-176.4	115.3	-24.9	174.4	-163.6	173.1	-166.1	0	109.6
384	K	31	Very low	30.4	Very low	188 Å²	188	159.3 Å²	159.3	82%	0.817	80%	0.803	S	S	*	*			trans	-173.4	147.1	157.4	-123.5	164.5	176.7	-170.1	0	108.7
385	E	29.8	Very low	30.2	Very low	134 Å²	134	155.3 Å²	155.3	63%	0.626	80%	0.801	S	S	*	*			cis	63.4	140.3	40.9	-81.9	177.8	115.2	0	0	113.5
386	N	29.5	Very low	30.2	Very low	135 Å²	135	153.1 Å²	153.1	72%	0.722	80%	0.804	S	S	*	*			cis	-176.8	162	-14.1	-122.2	22.5	0	0	0	107.3
387	V	34.1	Very low	30.4	Very low	105 Å²	105	148.9 Å²	148.9	64%	0.636	80%	0.795	S	S	*	*			cis	-151.5	173	-3	-133.3	0	0	0	0	108.9
388	E	29.6	Very low	30.5	Very low	182 Å²	182	148.5 Å²	148.5	85%	0.85	80%	0.798	S	S	*	*			trans	61.5	170.4	155	-73.6	169.8	142.2	0	0	118.1
389	A	29.5	Very low	30.9	Very low	100 Å²	100	144.5 Å²	144.5	83%	0.826	79%	0.787	S	S	*	*			cis	-160.5	167.7	-32.8	0	0	0	0	0	106.4
390	G	28.5	Very low	31.4	Very low	67 Å²	67	144.7 Å²	144.7	69%	0.691	79%	0.788	S	S	*	*			cis	169.4	169.7	-3.8	0	0	0	0	0	111
391	Q	29.4	Very low	31.4	Very low	194 Å²	194	138.1 Å²	138.1	91%	0.907	78%	0.78	S	S	*	*			trans	69.1	149.2	161	-61.8	-175.7	-9.7	0	0	122.6
392	S	28.8	Very low	31.6	Very low	117 Å²	117	136.1 Å²	136.1	82%	0.818	78%	0.778	S	S	*	*			trans	73.6	144.7	167.7	-65.2	0	0	0	0	118.5
393	Q	29.8	Very low	31.6	Very low	165 Å²	165	139 Å²	139	77%	0.771	78%	0.776	S	S	*	*			cis	-140.1	-115.7	-12.1	-160.8	-171.7	-29.4	0	0	112.5
394	E	29.8	Very low	32	Very low	168 Å²	168	141.9 Å²	141.9	79%	0.785	78%	0.782	S	S	*	*			trans	-140.7	159.3	-160.5	-69.6	163.2	117.5	0	0	113.6
395	G	28.1	Very low	32.6	Very low	77 Å²	77	139.2 Å²	139.2	79%	0.794	78%	0.784	S	S	*	*			trans	159.5	120.3	166	0	0	0	0	0	115.5
396	A	31.7	Very low	32.8	Very low	98 Å²	98	142.8 Å²	142.8	81%	0.81	80%	0.797	S	S	*	*			trans	-12	120.1	174.6	0	0	0	0	0	118.3
397	E	33.5	Very low	32.7	Very low	155 Å²	155	139.5 Å²	139.5	72%	0.724	80%	0.796	S	S	*	*				75.7	104.1	72.8	-73.9	-136.7	112.5	0	0	116.1	K399	E397-K399 IonicContact OE1-NZ 2.97Å; E397-K399 PolarHBondContact OE1-NZ 2.88Å
398	D	33.6	Very low	32.8	Very low	164 Å²	164	142.4 Å²	142.4	88%	0.877	81%	0.806	S	S	*	*				-153.8	163.6	124.7	-145.6	-20	0	0	0	111.2
399	K	36.6	Very low	32.7	Very low	154 Å²	154	141.2 Å²	141.2	67%	0.67	81%	0.805	S	S	*	*			trans	-147.5	178.5	-170	-70.3	169.1	-175	132.2	0	110.6	E397	E397-K399 IonicContact OE1-NZ 2.97Å; E397-K399 PolarHBondContact OE1-NZ 2.88Å
400	P	45.4	Very low	32.8	Very low	132 Å²	132	145.6 Å²	145.6	86%	0.857	81%	0.805	S	S	*	*			cis	-115.3	-170.3	-18.6	22	1.8	0	0	0	110.4
401	G	29.1	Very low	32.8	Very low	73 Å²	73	148.8 Å²	148.8	75%	0.753	81%	0.811	S	S	*	*			cis	174.1	146.9	-5.5	0	0	0	0	0	109.3
402	L	33.6	Very low	32.7	Very low	156 Å²	156	150.6 Å²	150.6	82%	0.817	81%	0.81	S	S	*	*			trans	-147.3	144.2	-167.8	-127.4	177.2	0	0	0	112.4
403	K	31.3	Very low	32.5	Very low	179 Å²	179	150.3 Å²	150.3	78%	0.778	80%	0.803	S	S	*	*			trans	94.4	126.5	164.3	-53.6	152.7	-174.4	168.3	0	117.9
404	R	38.4	Very low	32.4	Very low	236 Å²	236	148.4 Å²	148.4	89%	0.891	80%	0.803	S	S	*	*				27	145.5	128.3	-60	174.9	171.5	166.1	-4	119.8
405	P	43.8	Very low	32.3	Very low	133 Å²	133	147.7 Å²	147.7	86%	0.864	80%	0.799	S	S	*	*				-128.1	-171.4	119.4	38.6	-31.9	0	0	0	114.2
406	K	34.9	Very low	32.3	Very low	208 Å²	208	149 Å²	149	90%	0.904	79%	0.785	S	S	*	*			trans	-120.6	148.9	178.6	-55	170.6	-179.2	174.1	0	110.3
407	G	28.3	Very low	32.1	Very low	67 Å²	67	152 Å²	152	69%	0.691	78%	0.782	S	S	*	*			trans	91.6	125.4	131.4	0	0	0	0	0	121.4
408	I	34.3	Very low	31.8	Very low	165 Å²	165	153.8 Å²	153.8	85%	0.846	78%	0.782	S	S	*	*				80.6	126.7	126.5	-66.3	172	0	0	0	120.7
409	L	27.8	Very low	31.5	Very low	158 Å²	158	150.7 Å²	150.7	83%	0.827	77%	0.773	S	S	*	*			trans	76.2	111.2	158.4	-112	70.4	0	0	0	123.4
410	K	33.2	Very low	31	Very low	191 Å²	191	148.2 Å²	148.2	83%	0.83	78%	0.782	S	S	*	*			trans	-3.8	145.6	145.1	-74.6	176.5	167	179.3	0	120.5
411	T	28.3	Very low	30.1	Very low	134 Å²	134	147.1 Å²	147.1	82%	0.822	78%	0.777	S	S	*	*				-167.9	151.1	118	9.8	0	0	0	0	114.3
412	R	26.2	Very low	30.6	Very low	232 Å²	232	148.3 Å²	148.3	88%	0.875	77%	0.772	S	S	*	*			trans	59.5	133.7	165.8	-66.8	174.6	177.8	153	-0.4	118.1
413	V	25.9	Very low	30.2	Very low	112 Å²	112	149.6 Å²	149.6	68%	0.679	77%	0.774	S	S	*	*			cis	84.3	114.1	19.3	-173.3	0	0	0	0	115.8	E415	V413-E415 VanDerWaalsContact CG1-OE1 3.29Å; V413-E415 WeakPolarHBondContact CG1-OE1 3.34Å
414	T	26.7	Very low	30	Very low	124 Å²	124	149.8 Å²	149.8	76%	0.761	78%	0.777	S	S	*	*			trans	177.3	154.4	136.3	41.1	0	0	0	0	108.9
415	E	28.3	Very low	29.5	Very low	153 Å²	153	143.8 Å²	143.8	72%	0.715	77%	0.766	S	S	*	*			cis	-172.4	162.9	-35	-117.5	142.4	-127	0	0	107.7	V413	V413-E415 VanDerWaalsContact CG1-OE1 3.29Å; V413-E415 WeakPolarHBondContact CG1-OE1 3.34Å
416	E	27.5	Very low	28.7	Very low	104 Å²	104	145.7 Å²	145.7	49%	0.486	76%	0.764	S	S	.	*			cis	-115.1	-90	-1.9	-172	-159.3	-137.1	0	0	110.3	R418	E416-R418 IonicContact OE1-CZ 3.22Å; E416-R418 VanDerWaalsContact OE1-CZ 3.22Å; E416-R418 IonicContact OE1-NE 2.81Å; E416-R418 PolarHBondContact OE1-NE 3.27Å; E416-R418 IonicContact OE1-NH2 2.8Å; E416-R418 PolarHBondContact OE1-NH2 3.2Å; E416-R418 WeakPolarHBondContact OE2-CD 3.4Å; E416-R418 VanDerWaalsContact OE2-CG 3.27Å; E416-R418 WeakPolarHBondContact OE2-CG 3.34Å; E416-R418 IonicContact OE2-CZ 3.68Å; E416-R418 IonicContact OE2-NE 2.86Å; E416-R418 PolarHBondContact OE2-NE 3.21Å; E416-R418 IonicContact OE2-NH2 3.94Å
417	Q	28.1	Very low	28.4	Very low	163 Å²	163	143 Å²	143	76%	0.762	76%	0.758	S	S	*	*			cis	-143	119.2	-21.8	-171.6	123.3	91.7	0	0	111.5
418	R	25.8	Very low	28.4	Very low	191 Å²	191	144.3 Å²	144.3	72%	0.721	76%	0.757	S	S	*	*			trans	5.6	154.5	157.7	-72.1	163.6	-159.5	-163.4	2.8	123.9	E416	E416-R418 IonicContact OE1-CZ 3.22Å; E416-R418 VanDerWaalsContact OE1-CZ 3.22Å; E416-R418 IonicContact OE1-NE 2.81Å; E416-R418 PolarHBondContact OE1-NE 3.27Å; E416-R418 IonicContact OE1-NH2 2.8Å; E416-R418 PolarHBondContact OE1-NH2 3.2Å; E416-R418 WeakPolarHBondContact OE2-CD 3.4Å; E416-R418 VanDerWaalsContact OE2-CG 3.27Å; E416-R418 WeakPolarHBondContact OE2-CG 3.34Å; E416-R418 IonicContact OE2-CZ 3.68Å; E416-R418 IonicContact OE2-NE 2.86Å; E416-R418 PolarHBondContact OE2-NE 3.21Å; E416-R418 IonicContact OE2-NH2 3.94Å
419	S	27.6	Very low	28.1	Very low	99 Å²	99	148.5 Å²	148.5	69%	0.692	76%	0.762	S	S	*	*			cis	178.6	155.2	-22.7	51.4	0	0	0	0	112.3
420	A	27.3	Very low	28.1	Very low	102 Å²	102	144.9 Å²	144.9	84%	0.843	76%	0.763	S	S	*	*			trans	75.7	155.8	148.4	0	0	0	0	0	120.8
421	S	25.1	Very low	27.9	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	77%	0.765	S	S	*	*			trans	-118.7	-169.5	177.8	60.1	0	0	0	0	108.5
422	P	40.6	Very low	27.8	Very low	98 Å²	98	142.4 Å²	142.4	64%	0.636	77%	0.768	S	S	*	*			cis	-134.5	-177.3	-4	41.9	-24	0	0	0	115.7
423	E	25.8	Very low	28.8	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	76%	0.758	S	S	*	*			trans	69.6	156.2	148.8	-82.3	172.5	145.8	0	0	124.2
424	E	25.4	Very low	29	Very low	183 Å²	183	138.2 Å²	138.2	86%	0.855	76%	0.76	S	S	*	*			trans	89.4	133.8	154.3	-89.7	-170.2	171	0	0	125.9
425	V	27.7	Very low	29.1	Very low	109 Å²	109	139.6 Å²	139.6	66%	0.661	76%	0.758	S	S	*	*			trans	78	95.3	147.9	-179.9	0	0	0	0	122.9
426	E	27.2	Very low	29.2	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	76%	0.755	S	S	*	*				50	169.8	122.3	-61.7	-149.6	98.5	0	0	126.9
427	L	29.2	Very low	29.3	Very low	150 Å²	150	139 Å²	139	79%	0.785	77%	0.773	S	S	*	*			trans	84.6	134.1	158.4	-73.3	163.8	0	0	0	117.8
428	S	28.4	Very low	29.3	Very low	95 Å²	95	134.6 Å²	134.6	66%	0.664	77%	0.772	S	S	*	*			cis	-151.4	168.1	12.3	-64.7	0	0	0	0	114.8
429	R	28.5	Very low	29.5	Very low	253 Å²	253	129 Å²	129	96%	0.955	77%	0.773	S	S	*	*			trans	78.6	123.7	164.2	-58.2	179.7	173.7	179.9	-2.6	117.5
430	G	27	Very low	29.6	Very low	83 Å²	83	133.5 Å²	133.5	86%	0.856	78%	0.784	S	S	*	*			cis	134.2	114	-19.4	0	0	0	0	0	116.2
431	A	29.4	Very low	29.7	Very low	105 Å²	105	137.3 Å²	137.3	87%	0.868	78%	0.784	S	S	*	*			trans	-167.1	150.1	156.1	0	0	0	0	0	110.4
432	L	25.1	Very low	29.9	Very low	168 Å²	168	136.2 Å²	136.2	88%	0.88	78%	0.782	S	S	*	*			trans	-136.6	174.5	-179	-89.9	170.2	0	0	0	109.2
433	P	48.3	Very low	29.3	Very low	101 Å²	101	138.1 Å²	138.1	66%	0.656	79%	0.791	S	S	*	*			cis	-112.8	-131	-0.6	25.6	-1.1	0	0	0	110.7
434	Q	30.1	Very low	29.6	Very low	154 Å²	154	134.6 Å²	134.6	72%	0.72	79%	0.787	S	S	*	*			cis	-168	149.4	2.7	-138.1	175.1	-25.6	0	0	105.9
435	Q	28.6	Very low	30.8	Very low	154 Å²	154	131 Å²	131	72%	0.72	78%	0.779	S	S	*	*			cis	-157.7	178	-4.7	-138.7	175.6	-100.4	0	0	111.2
436	A	31.1	Very low	30.8	Very low	80 Å²	80	130.8 Å²	130.8	66%	0.661	78%	0.775	S	S	*	*			trans	1.7	156	138.7	0	0	0	0	0	121.6
437	D	28.9	Very low	31.1	Very low	163 Å²	163	131.1 Å²	131.1	87%	0.872	77%	0.768	S	S	*	*			cis	-174.4	157.3	-13.5	-179.9	31.5	0	0	0	109.3
438	G	29.3	Very low	31.2	Very low	71 Å²	71	131.4 Å²	131.4	73%	0.732	77%	0.766	S	S	*	*			trans	68.8	165.5	173.6	0	0	0	0	0	116.9
439	G	28.7	Very low	31.4	Very low	73 Å²	73	135.6 Å²	135.6	75%	0.753	78%	0.775	S	S	*	*			cis	170.5	116.7	-8.1	0	0	0	0	0	113.4
440	E	29.7	Very low	31.6	Very low	195 Å²	195	131.5 Å²	131.5	91%	0.911	77%	0.772	S	S	*	*			trans	66.7	147	153.2	-65.1	-175.1	142.1	0	0	123.5
441	E	29	Very low	32.1	Very low	181 Å²	181	134.5 Å²	134.5	85%	0.846	76%	0.763	S	S	*	*			trans	47.2	104.9	155.4	-60.4	-147.9	133.2	0	0	125.1
442	A	29.1	Very low	32.7	Very low	86 Å²	86	135 Å²	135	71%	0.711	76%	0.758	S	S	*	*				80.9	169.9	111.5	0	0	0	0	0	122.7
443	V	29.9	Very low	33.1	Very low	139 Å²	139	132.3 Å²	132.3	84%	0.842	75%	0.748	S	S	*	*			trans	76	113.5	170.8	-170.8	0	0	0	0	117.8
444	S	30.2	Very low	32.2	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	76%	0.759	S	S	*	*			trans	-96.4	162.1	155.5	-31.9	0	0	0	0	108.6
445	P	51	Low	32.1	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	76%	0.762	S	S	*	*				-154.8	-166.7	60	43.5	-22.1	0	0	0	116.8
446	D	29.1	Very low	32	Very low	106 Å²	106	129 Å²	129	57%	0.567	77%	0.768	S	S	*	*			trans	77.3	126.5	151.2	-76.7	-15	0	0	0	121.9
447	R	32.3	Very low	31.9	Very low	180 Å²	180	128.9 Å²	128.9	68%	0.679	78%	0.775	S	S	*	*			trans	53.6	145.7	130.6	-60.1	-171.5	-175.5	91.3	18.6	120.7
448	E	31.4	Very low	32.1	Very low	157 Å²	157	126.9 Å²	126.9	73%	0.734	77%	0.774	S	S	*	*			cis	-156.6	-179.2	-9.5	-118.2	152.8	-159.1	0	0	108.9
449	E	33.7	Very low	32.4	Very low	183 Å²	183	129.6 Å²	129.6	86%	0.855	78%	0.779	S	S	*	*			trans	-25.1	132.9	178.1	-50.7	-179.2	143.7	0	0	118.7
450	D	31	Very low	32.5	Very low	166 Å²	166	130.7 Å²	130.7	89%	0.888	78%	0.781	S	S	*	*				-166.1	158.9	108.7	-126.2	-31.1	0	0	0	114.3
451	E	37.6	Very low	32.7	Very low	146 Å²	146	130.9 Å²	130.9	68%	0.682	78%	0.779	S	S	*	*			trans	-96.8	151.7	179.1	-102.1	-90.6	167.1	0	0	111.3	V453	E451-V453 PolarHBondContact OE2-N 3.17Å
452	P	43.5	Very low	32.8	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	78%	0.783	S	S	*	*				-156.1	134.5	90.2	37.3	-16.3	0	0	0	118.9
453	V	32.9	Very low	33.2	Very low	111 Å²	111	133 Å²	133	67%	0.673	78%	0.784	S	S	*	*				50.1	109.5	125.9	-172.8	0	0	0	0	119.1	E451	E451-V453 PolarHBondContact OE2-N 3.17Å
454	M	29.7	Very low	33.7	Very low	180 Å²	180	131.4 Å²	131.4	89%	0.887	78%	0.776	S	S	*	*				-178	122	123.5	-103	-66.6	-93.8	0	0	115.7
455	G	27.1	Very low	34.5	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	77%	0.772	S	S	*	*			trans	77.1	162	142.9	0	0	0	0	0	120.9
456	G	27.6	Very low	34.4	Very low	83 Å²	83	127 Å²	127	86%	0.856	75%	0.746	S	S	*	*			trans	102.8	65.3	162.9	0	0	0	0	0	117.6
457	G	28.8	Very low	34.9	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	74%	0.744	S	S	*	*			trans	-73.3	170	-176.2	0	0	0	0	0	116.9
458	S	31.6	Very low	35.2	Very low	122 Å²	122	126 Å²	126	85%	0.853	75%	0.75	S	S	*	*			trans	-146.1	149.2	166	-85.5	0	0	0	0	111.3	A460	S458-A460 PolarHBondContact O-N 3.25Å
459	P	36.8	Very low	35.7	Very low	127 Å²	127	123.3 Å²	123.3	83%	0.825	74%	0.736	S	S	*	*			trans	-87.8	115.1	-161	32	-35.2	0	0	0	114.5
460	A	31.3	Very low	35.4	Very low	96 Å²	96	118.5 Å²	118.5	79%	0.793	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-75	122.2	167.4	0	0	0	0	0	111.2	S458 M462	S458-A460 PolarHBondContact O-N 3.25Å; A460-M462 PolarHBondContact O-N 2.74Å
461	K	33.3	Very low	35.5	Very low	200 Å²	200	118.3 Å²	118.3	87%	0.87	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-69	120.9	178.8	-69.4	174.7	-179.5	170.6	0	110.9
462	M	31.6	Very low	35.1	Very low	191 Å²	191	119.2 Å²	119.2	94%	0.941	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-65.5	133.3	171.3	-65.9	179.5	73.6	0	0	110.9	A460	A460-M462 PolarHBondContact O-N 2.74Å
463	V	35.8	Very low	34.4	Very low	121 Å²	121	123 Å²	123	73%	0.733	75%	0.746	S	S	*	*			trans	-110.3	126.6	169.5	-179.9	0	0	0	0	107.5
464	P	42.2	Very low	34.3	Very low	104 Å²	104	125.1 Å²	125.1	68%	0.675	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-65.9	138.5	176.2	27.9	-33.5	0	0	0	110.2
465	S	45.2	Very low	34.1	Very low	96 Å²	96	123.6 Å²	123.6	67%	0.671	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-98.6	159.9	179.6	59.7	0	0	0	0	111.6
466	L	49.1	Very low	34.4	Very low	27 Å²	27	128 Å²	128	14%	0.141	75%	0.749	C	S	.	*	P	Polyproline II helix	trans	-50.5	140.5	172.6	-69.8	165	0	0	0	110.9	I164 T265 G269 K468	I164-L466 HydrophobicContact CG2-CD1 4.18Å; T265-L466 HydrophobicContact CG2-CD2 4.1Å; G269-L466 WeakPolarHBondContact O-CD2 3.5Å; G269-L466 VanDerWaalsContact O-CG 3.27Å; G269-L466 WeakPolarHBondContact O-CG 3.29Å; L466-K468 PolarHBondContact O-N 3.12Å
467	P	40.1	Very low	34.6	Very low	83 Å²	83	132.6 Å²	132.6	54%	0.539	75%	0.749	S	S	.	*			trans	-64.9	103.1	-177.3	26.2	-33.4	0	0	0	110.7	Y161 K469	Y161-P467 PolarHBondContact OH-O 2.82Å; P467-K469 PolarHBondContact O-N 3.27Å
468	K	37.9	Very low	34.7	Very low	184 Å²	184	140.3 Å²	140.3	80%	0.8	75%	0.753	S	S	*	*			trans	-56.9	138.6	177.5	-66.2	-178.8	179.8	178.3	0	110.2	L466 G470	L466-K468 PolarHBondContact O-N 3.12Å; K468-G470 PolarHBondContact O-N 2.92Å
469	K	42.2	Very low	34.6	Very low	100 Å²	100	142.9 Å²	142.9	44%	0.435	75%	0.752	S	S	.	*			trans	-48.8	125.9	177.1	-65.2	-169.3	170.8	-176.9	0	109.5	E159 D162 P467 I471	E159-K469 IonicContact OE1-NZ 2.68Å; E159-K469 IonicContact OE2-NZ 3.42Å; E159-K469 PolarHBondContact OE2-NZ 2.71Å; D162-K469 WeakPolarHBondContact OD1-CE 3.36Å; D162-K469 IonicContact OD1-NZ 2.76Å; D162-K469 PolarHBondContact OD1-NZ 2.79Å; D162-K469 IonicContact OD2-NZ 2.68Å; D162-K469 PolarHBondContact OD2-NZ 2.86Å; P467-K469 PolarHBondContact O-N 3.27Å; K469-I471 PolarHBondContact O-N 3.34Å
470	G	28.4	Very low	34.2	Very low	82 Å²	82	143 Å²	143	85%	0.845	76%	0.756	S	S	*	*			trans	-71	82.3	-171.6	0	0	0	0	0	113.1	K468 L472	K468-G470 PolarHBondContact O-N 2.92Å; G470-L472 PolarHBondContact O-N 3.46Å
471	I	33.8	Very low	34	Very low	162 Å²	162	141.2 Å²	141.2	83%	0.831	75%	0.746	S	S	*	*			trans	-78.5	86.5	175.1	-58.3	176.6	0	0	0	109.1	K469	K469-I471 PolarHBondContact O-N 3.34Å
472	L	29.2	Very low	33.8	Very low	164 Å²	164	141.6 Å²	141.6	86%	0.859	74%	0.744	S	S	*	*			trans	-66.9	130.3	163	-170.9	67.5	0	0	0	108.8	G470 N474	G470-L472 PolarHBondContact O-N 3.46Å; L472-N474 PolarHBondContact O-N 3.1Å
473	K	28.1	Very low	33.7	Very low	196 Å²	196	143.1 Å²	143.1	85%	0.852	74%	0.741	S	S	*	*			trans	-65.4	122.3	-176.6	-170.2	174	-178.1	177.4	0	110.2	N475	K473-N475 PolarHBondContact O-N 3.36Å
474	N	30.5	Very low	33.5	Very low	156 Å²	156	141 Å²	141	83%	0.834	73%	0.731	S	S	*	*			trans	-64	114.9	-171.1	-168.6	20.4	0	0	0	112.4	L472	L472-N474 PolarHBondContact O-N 3.1Å
475	N	24.8	Very low	33	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	74%	0.738	S	S	*	*			trans	-143	162.8	154.1	-158.8	6.5	0	0	0	109	K473	K473-N475 PolarHBondContact O-N 3.36Å
476	Q	34.3	Very low	32.6	Very low	167 Å²	167	143 Å²	143	78%	0.78	75%	0.745	S	S	*	*			trans	-76.7	152.7	-155.1	-61.7	176.3	-8.8	0	0	115.2
477	Q	32	Very low	31.7	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	78%	0.777	S	S	*	*			trans	76.4	73.4	144.8	-159.8	170.7	0.2	0	0	119.2
478	R	29.7	Very low	31.3	Very low	239 Å²	239	157.8 Å²	157.8	90%	0.902	80%	0.795	S	S	*	*			trans	-154	163.1	138	-129.6	179.6	179.2	-156.4	-3.4	113.7
479	E	29.9	Very low	31	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	80%	0.799	S	S	*	*			trans	-84.2	156.8	-175.4	-60.2	134.6	125.6	0	0	113
480	S	28.1	Very low	30.4	Very low	129 Å²	129	158.7 Å²	158.7	90%	0.902	82%	0.818	S	S	*	*			trans	-125	104.4	166.5	48.6	0	0	0	0	110.8
481	G	28.9	Very low	30.5	Very low	58 Å²	58	159.9 Å²	159.9	60%	0.598	81%	0.813	S	S	*	*			trans	-144.6	-179.9	168	0	0	0	0	0	108.8
482	Y	28.8	Very low	30.4	Very low	208 Å²	208	157.2 Å²	157.2	82%	0.816	81%	0.809	S	S	*	*			trans	68	141.8	-166.5	-57	-92.2	0	0	0	113.4	S484	Y482-S484 WeakPolarHBondContact CD1-O 3.35Å
483	Y	29.4	Very low	30.5	Very low	223 Å²	223	157 Å²	157	88%	0.875	80%	0.803	S	S	*	*			cis	26.1	86.3	-19.5	-139.3	-84.3	0	0	0	120.3
484	S	30.9	Very low	30.6	Very low	76 Å²	76	154 Å²	154	53%	0.531	80%	0.796	S	S	.	*			trans	178	137	141	-91.9	0	0	0	0	107	Y482	Y482-S484 WeakPolarHBondContact CD1-O 3.35Å
485	S	31	Very low	30.8	Very low	118 Å²	118	154.3 Å²	154.3	83%	0.825	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.9	147.1	172	-60.9	0	0	0	0	110.5
486	P	37.2	Very low	30.9	Very low	125 Å²	125	151.3 Å²	151.3	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-93.7	118.6	176.2	33.9	-29.7	0	0	0	111.6
487	E	31.6	Very low	30.7	Very low	176 Å²	176	147.1 Å²	147.1	82%	0.822	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-97.8	155.1	155.8	-66.5	-169.9	131.4	0	0	109.9
488	R	30.8	Very low	30.6	Very low	244 Å²	244	143.3 Å²	143.3	92%	0.921	80%	0.802	S	S	*	*			trans	-130.3	122.8	176.9	-94.4	-177.9	163.3	-178.2	-6.5	108.8
489	S	31.6	Very low	30.6	Very low	124 Å²	124	137 Å²	137	87%	0.867	79%	0.794	S	S	*	*			trans	-79.3	148.2	162.6	-51.6	0	0	0	0	110.8
490	E	30.1	Very low	30.8	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	79%	0.792	S	S	*	*			trans	-78.6	171.7	169.4	-51.9	178.7	110.3	0	0	110.1
491	S	30.8	Very low	30.8	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	78%	0.782	S	S	*	*			cis	-124.6	-147.6	3.6	-49.6	0	0	0	0	108.9
492	S	30.1	Very low	30.9	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	79%	0.793	S	S	*	*			cis	-163.4	-178.1	-0.4	-136.2	0	0	0	0	107.1
493	E	31.6	Very low	30.9	Very low	159 Å²	159	136.9 Å²	136.9	74%	0.743	79%	0.792	S	S	*	*			cis	-138.9	161.7	3.5	-82.3	-161.3	122.4	0	0	109.5
494	L	31.3	Very low	31	Very low	134 Å²	134	130.8 Å²	130.8	70%	0.702	79%	0.788	S	S	*	*			trans	57.3	127.9	143	-69.3	167.5	0	0	0	123.4
495	L	33.5	Very low	30.9	Very low	163 Å²	163	133.9 Å²	133.9	85%	0.853	80%	0.804	S	S	*	*			trans	74	97.6	141	-63.3	168	0	0	0	121.9
496	G	27.5	Very low	30.9	Very low	84 Å²	84	133.5 Å²	133.5	87%	0.866	80%	0.801	S	S	*	*				104.4	142	107.9	0	0	0	0	0	120.6
497	G	29.4	Very low	31.7	Very low	79 Å²	79	132.9 Å²	132.9	81%	0.814	80%	0.797	S	S	*	*			trans	105.2	72.7	144.1	0	0	0	0	0	120.4
498	A	30.3	Very low	33	Very low	101 Å²	101	128.8 Å²	128.8	84%	0.835	79%	0.786	S	S	*	*			trans	31.2	132.7	136.6	0	0	0	0	0	123.8
499	S	30.9	Very low	33.1	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	78%	0.78	S	S	*	*			trans	95.5	128.7	131.9	-147.9	0	0	0	0	122.6
500	M	33.5	Very low	33.1	Very low	159 Å²	159	131.3 Å²	131.3	78%	0.783	78%	0.782	S	S	*	*			trans	45.2	115.6	143.5	-66.2	-65.4	108.2	0	0	123.4
501	S	28.6	Very low	33.4	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	78%	0.779	S	S	*	*				28.2	129	117.2	-165.2	0	0	0	0	120.9
502	L	30.2	Very low	33.7	Very low	160 Å²	160	131.7 Å²	131.7	84%	0.838	79%	0.79	S	S	*	*				-175.8	-178.3	116.6	-99.4	173	0	0	0	114.6
503	L	29.4	Very low	33.7	Very low	153 Å²	153	129.8 Å²	129.8	80%	0.801	79%	0.787	S	S	*	*			trans	-92.1	160.5	-167.9	-80.1	82.7	0	0	0	116.6
504	A	29.9	Very low	34.1	Very low	95 Å²	95	132.8 Å²	132.8	79%	0.785	79%	0.792	S	S	*	*			trans	70.5	165.3	152.3	0	0	0	0	0	116.5
505	T	30.2	Very low	34.5	Very low	141 Å²	141	135.4 Å²	135.4	87%	0.865	80%	0.798	S	S	*	*			cis	-135	-164	15.3	48.9	0	0	0	0	112.3
506	S	30.3	Very low	34.4	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	79%	0.79	S	S	*	*			trans	-113.9	-148.3	-170.8	53.1	0	0	0	0	114.5
507	P	54.8	Low	34.9	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	79%	0.791	S	S	*	*				-107.9	-145.3	-125.4	40.4	-20.7	0	0	0	111.7
508	P	57.7	Low	35	Very low	91 Å²	91	138.5 Å²	138.5	59%	0.591	79%	0.79	S	S	*	*			cis	-142	-158.8	-8.8	33	-7.1	0	0	0	115.4
509	K	33.9	Very low	35.2	Very low	180 Å²	180	141.2 Å²	141.2	78%	0.783	78%	0.783	S	S	*	*			trans	83.8	154.8	163.6	-58.3	153	-178.8	167	0	114.8
510	R	31.4	Very low	35.5	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	79%	0.786	S	S	*	*			cis	-156.9	-180	12.5	-138.7	166.2	-170.9	169.5	0	110.2
511	A	36.9	Very low	35.4	Very low	96 Å²	96	146.5 Å²	146.5	79%	0.793	79%	0.79	S	S	*	*			trans	-131.9	146.4	-179.7	0	0	0	0	0	115
512	M	35.7	Very low	35.5	Very low	197 Å²	197	145.6 Å²	145.6	97%	0.97	80%	0.796	S	S	*	*			trans	-159.3	152.9	161.1	-73.9	-166.2	178.3	0	0	108.7
513	G	30.6	Very low	36	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	80%	0.797	S	S	*	*			cis	130.6	93.6	-18.3	0	0	0	0	0	116.7
514	R	40.8	Very low	36.1	Very low	222 Å²	222	151.9 Å²	151.9	84%	0.838	81%	0.805	S	S	*	*			trans	-175.7	120.1	151.6	-100.6	155.1	-168.6	-133.1	4.1	110.6
515	K	39.9	Very low	36.1	Very low	189 Å²	189	152.2 Å²	152.2	82%	0.822	80%	0.802	S	S	*	*				74.9	131.6	103.3	-68.1	-173.1	-174.9	-173.2	0	115.2
516	G	31.1	Very low	36.2	Very low	68 Å²	68	150.9 Å²	150.9	70%	0.701	79%	0.794	S	S	*	*			cis	167.1	-168.1	-3.9	0	0	0	0	0	113
517	I	38.3	Very low	36.2	Very low	173 Å²	173	155.6 Å²	155.6	89%	0.887	80%	0.796	S	S	*	*			trans	75.2	132.1	171.1	-57.3	173.9	0	0	0	114.9
518	L	30.7	Very low	35.1	Very low	151 Å²	151	155.6 Å²	155.6	79%	0.791	80%	0.799	S	S	*	*			cis	-156.9	164.4	-17.3	-178	58.9	0	0	0	111.8
519	K	35.1	Very low	33.7	Very low	158 Å²	158	155 Å²	155	69%	0.687	81%	0.809	S	S	*	*			trans	-58.3	174.2	177	-58.3	169.4	175.4	170.8	0	114
520	R	35.8	Very low	33.5	Very low	216 Å²	216	154.5 Å²	154.5	82%	0.815	81%	0.814	S	S	*	*			cis	-161	164.3	22.5	-149.8	158.6	-169.2	166	-3.3	115.3
521	N	31.8	Very low	34.4	Very low	160 Å²	160	148.3 Å²	148.3	86%	0.856	81%	0.805	S	S	*	*			trans	-68.9	163.5	-179.1	-31.6	-7.5	0	0	0	115.2
522	G	30.8	Very low	34.2	Very low	79 Å²	79	149.1 Å²	149.1	81%	0.814	81%	0.805	S	S	*	*			trans	-176.8	120.1	155.5	0	0	0	0	0	114.1
523	K	40.8	Very low	34	Very low	198 Å²	198	145 Å²	145	86%	0.861	80%	0.796	S	S	*	*			trans	-128.3	145.8	166.3	-72.9	-175.3	178	-176.9	0	108.2
524	Y	32.1	Very low	34	Very low	246 Å²	246	146 Å²	146	97%	0.965	80%	0.797	S	S	*	*			trans	-164	172.1	136.3	-93.5	-57.2	0	0	0	110.2
525	S	30.5	Very low	33.6	Very low	102 Å²	102	139.9 Å²	139.9	71%	0.713	79%	0.794	S	S	*	*			trans	-117.4	163.2	-176.4	-167.5	0	0	0	0	108.6
526	T	32.2	Very low	33.2	Very low	113 Å²	113	137.6 Å²	137.6	69%	0.693	80%	0.796	S	S	*	*				175.4	176	75.9	38.1	0	0	0	0	111.6
527	Y	29.3	Very low	33.4	Very low	209 Å²	209	139.3 Å²	139.3	82%	0.82	80%	0.803	S	S	*	*			trans	90.4	96.2	159.1	-84.6	-82	0	0	0	121.9
528	S	32.2	Very low	33	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	79%	0.793	S	S	*	*				47.4	129.8	129.9	66.9	0	0	0	0	123.3
529	G	27.1	Very low	33.1	Very low	78 Å²	78	133.9 Å²	133.9	80%	0.804	80%	0.797	S	S	*	*			trans	178	106.7	158	0	0	0	0	0	114.4
530	L	30.9	Very low	33.1	Very low	171 Å²	171	134.5 Å²	134.5	90%	0.895	81%	0.807	S	S	*	*			trans	-153.5	161.2	174.5	-93.8	168.5	0	0	0	107.4
531	P	50.8	Low	32.8	Very low	111 Å²	111	127.8 Å²	127.8	72%	0.721	81%	0.805	S	S	*	*			cis	-134.6	170.8	5	40.8	-23.4	0	0	0	117.2
532	S	31.8	Very low	32.9	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	81%	0.805	S	S	*	*			trans	23.6	134.9	139.3	-162.8	0	0	0	0	122.9
533	S	31.6	Very low	34.3	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	80%	0.795	S	S	*	*				172	163	106.4	-164.2	0	0	0	0	114.3
534	A	30.6	Very low	35.4	Very low	86 Å²	86	125.5 Å²	125.5	71%	0.711	79%	0.789	S	S	*	*			trans	61.8	121.4	167	0	0	0	0	0	118.2
535	A	31.7	Very low	36.6	Very low	93 Å²	93	118.4 Å²	118.4	77%	0.769	77%	0.773	S	S	*	*				75.9	146.6	73.8	0	0	0	0	0	113.5
536	V	32.7	Very low	36.7	Very low	141 Å²	141	119.3 Å²	119.3	86%	0.855	77%	0.774	S	S	*	*			cis	-151.6	173.3	21.5	-139.8	0	0	0	0	112.2
537	A	34.8	Very low	36.7	Very low	104 Å²	104	120.1 Å²	120.1	86%	0.86	78%	0.779	S	S	*	*			trans	72.4	143.9	163.4	0	0	0	0	0	119.5
538	G	30.2	Very low	36.8	Very low	66 Å²	66	117.3 Å²	117.3	68%	0.68	78%	0.779	S	S	*	*			cis	154.7	148.6	-16.6	0	0	0	0	0	115.7
539	V	32.3	Very low	36.9	Very low	145 Å²	145	117.2 Å²	117.2	88%	0.879	78%	0.778	S	S	*	*			trans	69.8	144.8	157.2	179.8	0	0	0	0	116.7
540	L	35.8	Very low	37	Very low	171 Å²	171	117.2 Å²	117.2	90%	0.895	78%	0.778	S	S	*	*			cis	-172.8	159.5	-36.1	-109.6	166.9	0	0	0	107.6
541	G	29	Very low	37.1	Very low	75 Å²	75	117.1 Å²	117.1	77%	0.773	78%	0.778	S	S	*	*			trans	126.5	146.5	153.2	0	0	0	0	0	119.9
542	E	32.8	Very low	36.2	Very low	183 Å²	183	116.9 Å²	116.9	86%	0.855	78%	0.778	S	S	*	*			trans	-162.9	172.6	174.7	-129.1	-137.9	144.9	0	0	106.7
543	P	60.5	Low	36.2	Very low	91 Å²	91	122.9 Å²	122.9	59%	0.591	78%	0.784	S	S	*	*			cis	-129.4	-146.5	-43.1	33	-10.7	0	0	0	110.9
544	P	64.1	Low	36.2	Very low	114 Å²	114	121.5 Å²	121.5	74%	0.74	77%	0.774	S	S	*	*			cis	-122.8	-43	-33.2	11	9.4	0	0	0	123.9
545	P	57.8	Low	36.4	Very low	97 Å²	97	126.4 Å²	126.4	63%	0.63	78%	0.782	S	S	*	*				-128.4	164	-100.6	43	-32.4	0	0	0	121.8
546	T	32.3	Very low	36.5	Very low	121 Å²	121	127.4 Å²	127.4	74%	0.742	78%	0.783	S	S	*	*			trans	82.9	149.8	155.8	69.1	0	0	0	0	122.5
547	T	33.3	Very low	36.5	Very low	130 Å²	130	132.1 Å²	132.1	80%	0.798	79%	0.786	S	S	*	*			trans	71	143.9	166	65.8	0	0	0	0	118.1
548	D	30.2	Very low	37.3	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	78%	0.781	S	S	*	*			cis	-156.6	-172	-21	-148.8	-27.7	0	0	0	111
549	S	34.5	Very low	37.4	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	78%	0.781	S	S	*	*			trans	-47.3	160	178.8	62.3	0	0	0	0	119.6
550	G	30.1	Very low	37.6	Very low	78 Å²	78	132.2 Å²	132.2	80%	0.804	77%	0.774	S	S	*	*			trans	-173.1	128	167.9	0	0	0	0	0	114.2
551	L	32.5	Very low	37.6	Very low	169 Å²	169	131.2 Å²	131.2	89%	0.885	77%	0.768	S	S	*	*			trans	-111.4	146.2	179	-69.9	165.1	0	0	0	111.4
552	S	31	Very low	37.9	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	77%	0.766	S	S	*	*				152.9	139.4	124.4	-74.3	0	0	0	0	116.4
553	R	33.1	Very low	37.9	Very low	239 Å²	239	127.4 Å²	127.4	90%	0.902	75%	0.753	S	S	*	*			trans	62.1	152.4	141	-74.7	-172.4	167.5	177.7	-4	120
554	S	31.5	Very low	36.6	Very low	82 Å²	82	130.9 Å²	130.9	57%	0.573	76%	0.761	S	S	*	*			cis	-170.1	154.2	-12.5	46.6	0	0	0	0	113.3
555	Q	33.8	Very low	35.1	Very low	189 Å²	189	132.2 Å²	132.2	88%	0.883	76%	0.762	S	S	*	*			trans	70.7	153.1	158.9	-67.4	160.9	16.4	0	0	116.2
556	S	33.6	Very low	34	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	76%	0.76	S	S	*	*			cis	-135.3	168.9	16.9	56.7	0	0	0	0	116.2
557	R	32.8	Very low	33.9	Very low	240 Å²	240	130.9 Å²	130.9	91%	0.906	76%	0.76	S	S	*	*			trans	-137.4	179.5	169.2	-101.5	-170	-178.5	-157.7	2.6	106
558	P	52.5	Low	33.8	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	76%	0.757	S	S	*	*			cis	-118.7	-162.3	12.1	41.6	-23.1	0	0	0	111.6
559	S	32.2	Very low	33.7	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	76%	0.758	S	S	*	*			cis	-151.5	134.4	27	-13	0	0	0	0	110.3
560	S	35.7	Very low	33.4	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	76%	0.755	S	S	*	*				69.7	141.2	88.4	80.3	0	0	0	0	114.5
561	I	35.5	Very low	33.3	Very low	149 Å²	149	134.4 Å²	134.4	76%	0.764	76%	0.757	S	S	*	*			cis	-156.3	150.2	27.8	-164.8	63.6	0	0	0	112.2
562	V	36.5	Very low	33.4	Very low	122 Å²	122	131.4 Å²	131.4	74%	0.739	75%	0.751	S	S	*	*			trans	27.1	144.5	151.9	177.3	0	0	0	0	120.7
563	G	31.6	Very low	33.8	Very low	56 Å²	56	132.5 Å²	132.5	58%	0.577	76%	0.755	S	S	*	*			cis	-168.6	160	6.5	0	0	0	0	0	110.7
564	E	35	Very low	33.8	Very low	165 Å²	165	126.2 Å²	126.2	77%	0.771	75%	0.748	S	S	*	*				71.2	133.7	88.5	-66.1	168.3	160.8	0	0	112
565	D	31.7	Very low	33.8	Very low	141 Å²	141	127.6 Å²	127.6	75%	0.754	76%	0.758	S	S	*	*			cis	-166.7	174.2	5.3	-124.2	-17.3	0	0	0	108.1
566	S	34.2	Very low	33.5	Very low	85 Å²	85	126.6 Å²	126.6	59%	0.594	76%	0.757	S	S	*	*			cis	-167.6	156.5	-19	-136.3	0	0	0	0	109.5
567	S	30.5	Very low	33.3	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	76%	0.755	S	S	*	*			trans	60.7	159.9	148.6	79.1	0	0	0	0	120.4
568	V	31.5	Very low	32.9	Very low	122 Å²	122	118.6 Å²	118.6	74%	0.739	75%	0.75	S	S	*	*			cis	-154.9	149.2	-25.5	-100.7	0	0	0	0	110.3
569	L	28.2	Very low	31.8	Very low	159 Å²	159	117.5 Å²	117.5	83%	0.832	75%	0.751	S	S	*	*			trans	37.9	120.4	143.5	-57.8	174.4	0	0	0	122.9
570	S	28.1	Very low	31.6	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	76%	0.758	S	S	*	*				59.8	120.8	124.4	-176.4	0	0	0	0	121.7
571	L	28.4	Very low	31	Very low	163 Å²	163	128.5 Å²	128.5	85%	0.853	77%	0.77	S	S	*	*				-177.2	158.4	108.4	-98.3	171.3	0	0	0	112.6
572	S	34.2	Very low	30.6	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	77%	0.768	S	S	*	*			trans	-97.9	153.1	165.5	-49.2	0	0	0	0	110.7
573	P	39.8	Very low	30.5	Very low	127 Å²	127	128.2 Å²	128.2	83%	0.825	77%	0.766	S	S	*	*			trans	-136.2	176.6	138.7	38.3	-26.6	0	0	0	113.3
574	S	33.4	Very low	30.1	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	77%	0.774	S	S	*	*			trans	-132.4	154.6	-176.7	-54.7	0	0	0	0	112.3
575	S	30.3	Very low	29.6	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	77%	0.771	S	S	*	*			trans	80.3	157.4	155.8	-53.6	0	0	0	0	119.5
576	L	28.6	Very low	29.8	Very low	167 Å²	167	127.7 Å²	127.7	87%	0.874	78%	0.775	S	S	*	*			trans	78.6	146.1	-178.1	-55	170.3	0	0	0	116.2
577	S	28.6	Very low	29.5	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	78%	0.784	S	S	*	*			cis	172.9	137.5	-48.5	47.3	0	0	0	0	110.4
578	G	24.8	Very low	29.4	Very low	77 Å²	77	133.6 Å²	133.6	79%	0.794	79%	0.785	S	S	*	*			trans	121.4	145.4	157.2	0	0	0	0	0	117.6
579	A	29.1	Very low	29.2	Very low	95 Å²	95	138.1 Å²	138.1	79%	0.785	79%	0.789	S	S	*	*			trans	50.4	100.1	171.8	0	0	0	0	0	116.7
580	E	27.2	Very low	29	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	79%	0.785	S	S	*	*				60.3	115.2	60.9	-59.6	-164.1	103.2	0	0	116.1
581	W	24.8	Very low	28.8	Very low	258 Å²	258	137.8 Å²	137.8	98%	0.977	79%	0.785	S	S	*	*				-145.7	133	127.3	-94.9	93.8	0	0	0	108.7
582	H	26	Very low	28.7	Very low	156 Å²	156	136 Å²	136	72%	0.722	78%	0.775	S	S	*	*			trans	-114.3	170.7	176.2	-126.3	-65.6	0	0	0	109.6
583	P	33.7	Very low	28.3	Very low	108 Å²	108	142.2 Å²	142.2	70%	0.701	78%	0.782	S	S	*	*				-139.4	152	111.9	37.5	-27.2	0	0	0	115.9
584	S	23.2	Very low	27.8	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	78%	0.775	S	S	*	*			trans	47.7	105.1	148.3	59.8	0	0	0	0	122.2
585	T	26.2	Very low	27.6	Very low	116 Å²	116	141.5 Å²	141.5	71%	0.712	78%	0.783	S	S	*	*			trans	-54.6	171.5	142.5	8.7	0	0	0	0	113.1
586	P	35.5	Very low	27.5	Very low	128 Å²	128	141.4 Å²	141.4	83%	0.831	78%	0.778	S	S	*	*				-150	-163	53.4	42.9	-19.6	0	0	0	118.2
587	H	26.9	Very low	27.8	Very low	168 Å²	168	137 Å²	137	78%	0.778	76%	0.761	S	S	*	*			trans	-99.1	142.5	-159.4	-69	-100.5	0	0	0	116.9
588	L	29	Very low	28.1	Very low	146 Å²	146	135.2 Å²	135.2	76%	0.764	75%	0.753	S	S	*	*				39.6	104.8	123.6	-159.1	94	0	0	0	120.5
589	R	26.4	Very low	28.9	Very low	217 Å²	217	137.5 Å²	137.5	82%	0.819	74%	0.743	S	S	*	*				165.2	153.8	116.5	-92.7	-173.8	177.7	-171.5	-0.7	113.9
590	T	25.1	Very low	29.4	Very low	123 Å²	123	137.8 Å²	137.8	76%	0.755	73%	0.731	S	S	*	*			trans	62.2	139.4	164.1	39.3	0	0	0	0	116.7
591	N	24.6	Very low	29.9	Very low	128 Å²	128	136 Å²	136	68%	0.684	73%	0.726	S	S	*	*			cis	-165.4	164.1	21.5	-125.2	-16.9	0	0	0	112.1
592	I	25.3	Very low	30.7	Very low	126 Å²	126	130.8 Å²	130.8	65%	0.646	72%	0.717	S	S	*	*			trans	52.5	100.6	142.6	-61.9	166.5	0	0	0	116.9
593	R	26.7	Very low	31.4	Very low	238 Å²	238	131.4 Å²	131.4	90%	0.898	72%	0.72	S	S	*	*				161.2	164.8	85.3	-108.8	163.7	-170.2	176.1	2.3	106.8
594	A	27.9	Very low	31.6	Very low	82 Å²	82	133.4 Å²	133.4	68%	0.678	72%	0.724	S	S	*	*			cis	-154.5	164.5	-11.6	0	0	0	0	0	107.9
595	C	29.3	Very low	32.6	Very low	136 Å²	136	132 Å²	132	92%	0.919	72%	0.719	S	S	*	*			trans	-71.2	145.5	167.5	-55.5	0	0	0	0	110.7
596	V	29.3	Very low	33.3	Very low	110 Å²	110	134.3 Å²	134.3	67%	0.667	73%	0.727	S	S	*	*			trans	-114.4	128.7	173.6	-179.2	0	0	0	0	108.2	N600	V596-N600 HydrophobicContact CG1-CB 3.61Å
597	S	33.5	Very low	33.1	Very low	74 Å²	74	138 Å²	138	52%	0.517	73%	0.73	S	S	.	*			trans	-79	160.8	178.6	-159.8	0	0	0	0	111.9	E599 N600	S597-E599 VanDerWaalsContact CB-OE2 3.23Å; S597-E599 WeakPolarHBondContact CB-OE2 3.31Å; S597-E599 PolarHBondContact O-N 3.42Å; S597-E599 PolarHBondContact OG-OE2 3.11Å; S597-N600 PolarHBondContact O-N 2.95Å
598	A	35.4	Very low	33.6	Very low	73 Å²	73	139.7 Å²	139.7	60%	0.603	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-58.2	-31.9	-179.5	0	0	0	0	0	113	N600 L601	A598-N600 PolarHBondContact O-N 3.32Å; A598-N600 VanDerWaalsContact O-N 3.12Å; A598-L601 PolarHBondContact O-N 2.68Å; A598-L601 VanDerWaalsContact O-N 3.11Å
599	E	42.7	Very low	33.6	Very low	125 Å²	125	136 Å²	136	58%	0.584	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-52.4	-33.4	176.5	-73.2	67.2	-149.8	0	0	113.4	S597 L601 L602	S597-E599 VanDerWaalsContact CB-OE2 3.23Å; S597-E599 WeakPolarHBondContact CB-OE2 3.31Å; S597-E599 PolarHBondContact O-N 3.42Å; S597-E599 PolarHBondContact OG-OE2 3.11Å; E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.09Å; E599-L602 PolarHBondContact O-N 3.03Å
600	N	37.7	Very low	33.8	Very low	100 Å²	100	134.3 Å²	134.3	54%	0.535	74%	0.739	S	S	.	*	G	3₁₀ helix	trans	-74.9	-14.3	-176.8	-87.7	22.4	0	0	0	114	V596 S597 A598	V596-N600 HydrophobicContact CG1-CB 3.61Å; S597-N600 PolarHBondContact O-N 2.95Å; A598-N600 PolarHBondContact O-N 3.32Å; A598-N600 VanDerWaalsContact O-N 3.12Å
601	L	38.6	Very low	34.1	Very low	136 Å²	136	137.6 Å²	137.6	71%	0.712	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-80.6	-22.3	175	-79.6	165.6	0	0	0	112.7	A598 E599 Q603	A598-L601 PolarHBondContact O-N 2.68Å; A598-L601 VanDerWaalsContact O-N 3.11Å; E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.09Å; L601-Q603 VanDerWaalsContact C-N 3.28Å; L601-Q603 PolarHBondContact O-N 2.76Å
602	L	42.6	Very low	34.7	Very low	149 Å²	149	138.3 Å²	138.3	78%	0.78	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-1.8	-178.7	-69.9	169.9	0	0	0	114.3	E599	E599-L602 PolarHBondContact O-N 3.03Å
603	Q	40.4	Very low	35	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	2.7	178.2	-70	-168.5	-14.1	0	0	114.8	L601	L601-Q603 VanDerWaalsContact C-N 3.28Å; L601-Q603 PolarHBondContact O-N 2.76Å
604	L	37.9	Very low	35.5	Very low	151 Å²	151	130.3 Å²	130.3	79%	0.791	75%	0.75	S	S	*	*	S	Bend	trans	-98.2	-5.1	178.1	-74.9	169.9	0	0	0	114.5
605	A	43.5	Very low	36.1	Very low	77 Å²	77	132.7 Å²	132.7	64%	0.636	76%	0.758	S	S	*	*	S	Bend	trans	-102.6	107.9	171.4	0	0	0	0	0	110.4	F607	A605-F607 VanDerWaalsContact C-N 3.34Å; A605-F607 PolarHBondContact O-N 3.42Å
606	N	41.2	Very low	36.3	Very low	164 Å²	164	133.9 Å²	133.9	88%	0.877	75%	0.754	S	S	*	*			trans	-73.7	75.7	-175	-104.9	-38.2	0	0	0	112.9
607	F	31.2	Very low	36.6	Very low	205 Å²	205	137.6 Å²	137.6	90%	0.899	76%	0.764	S	S	*	*			trans	-107.5	128.4	169.3	-115.6	-93.5	0	0	0	111.7	A605	A605-F607 VanDerWaalsContact C-N 3.34Å; A605-F607 PolarHBondContact O-N 3.42Å
608	K	36.4	Very low	36.4	Very low	205 Å²	205	137.6 Å²	137.6	89%	0.891	78%	0.775	S	S	*	*			trans	-117.6	120.3	175.1	-80.2	-176.3	175.6	177.8	0	110.2
609	G	29.8	Very low	36.6	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	79%	0.788	S	S	*	*			trans	147.9	131	171.6	0	0	0	0	0	111.2
610	L	30.1	Very low	36.2	Very low	181 Å²	181	144.1 Å²	144.1	95%	0.948	80%	0.802	S	S	*	*			cis	-114.5	171.1	-5.1	-104.4	77	0	0	0	111.8
611	Q	31.6	Very low	35.7	Very low	193 Å²	193	149 Å²	149	90%	0.902	82%	0.819	S	S	*	*			trans	-83.7	153	-174.9	-66.1	176.3	-6.2	0	0	113.4
612	T	37.8	Very low	35.3	Very low	142 Å²	142	147.9 Å²	147.9	87%	0.871	82%	0.818	S	S	*	*			trans	-83.5	143	163.4	45.5	0	0	0	0	111.3
613	A	32.3	Very low	34.5	Very low	93 Å²	93	152.8 Å²	152.8	77%	0.769	83%	0.826	S	S	*	*			trans	-157	166.4	172.8	0	0	0	0	0	109.5
614	P	37.2	Very low	33.9	Very low	104 Å²	104	148.4 Å²	148.4	68%	0.675	83%	0.826	S	S	*	*				-120.7	169	-84.2	33.4	-18.3	0	0	0	112.8
615	P	40.5	Very low	33.5	Very low	132 Å²	132	146.8 Å²	146.8	86%	0.857	83%	0.827	S	S	*	*			trans	-73.4	142.3	-179.2	30.3	-35.7	0	0	0	112.7
616	I	32.6	Very low	32.9	Very low	160 Å²	160	152.1 Å²	152.1	82%	0.821	84%	0.836	S	S	*	*			trans	-122.4	144.7	175.5	-64.4	-179	0	0	0	110.2
617	Q	34.7	Very low	32.3	Very low	188 Å²	188	153 Å²	153	88%	0.879	84%	0.838	S	S	*	*			trans	-81.4	147.4	-175	-58.8	168.9	8.3	0	0	111.3
618	G	31.1	Very low	32.4	Very low	74 Å²	74	153.3 Å²	153.3	76%	0.763	84%	0.838	S	S	*	*			trans	-92.4	174	177	0	0	0	0	0	114
619	P	39.7	Very low	32	Very low	135 Å²	135	147.3 Å²	147.3	88%	0.877	84%	0.835	S	S	*	*			trans	-115.5	165.4	155.9	36.3	-27.4	0	0	0	113.3
620	K	32.8	Very low	31.9	Very low	200 Å²	200	149.6 Å²	149.6	87%	0.87	84%	0.84	S	S	*	*			trans	-85.5	154.7	-178.6	-52.5	158.2	-177.2	170	0	110.9
621	F	28.2	Very low	32.7	Very low	204 Å²	204	147 Å²	147	90%	0.895	83%	0.834	S	S	*	*			trans	-164.1	124.1	134.7	-107.7	-71.9	0	0	0	115.1
622	T	28.8	Very low	32.5	Very low	111 Å²	111	141.1 Å²	141.1	68%	0.681	83%	0.825	S	S	*	*			trans	34	111.4	150.9	51.7	0	0	0	0	125.8
623	R	27.4	Very low	32	Very low	253 Å²	253	141.3 Å²	141.3	96%	0.955	82%	0.821	S	S	*	*				67.8	114.9	98.8	-160.5	-174	-155.7	-178.7	7	121.9
624	G	26.8	Very low	31.9	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	82%	0.821	S	S	*	*			trans	116.4	149.3	157.9	0	0	0	0	0	114.1
625	S	29.6	Very low	31.4	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	83%	0.829	S	S	*	*			cis	-154.8	-175.1	-6.5	-167	0	0	0	0	110.7
626	K	30.5	Very low	30.7	Very low	188 Å²	188	141.6 Å²	141.6	82%	0.817	82%	0.824	S	S	*	*			trans	-48.8	152.7	179.5	-53.8	169.9	-177.5	173.4	0	112.7
627	M	29.2	Very low	30.4	Very low	184 Å²	184	143.2 Å²	143.2	91%	0.906	83%	0.826	S	S	*	*				-164.2	-175.5	60.2	-120.2	-157.5	-179.3	0	0	115.9
628	K	32.7	Very low	30.3	Very low	210 Å²	210	138.3 Å²	138.3	91%	0.913	81%	0.812	S	S	*	*			trans	-74.1	149.6	179.2	-65.8	179.4	174.9	-178	0	113.3
629	G	27.6	Very low	30.4	Very low	79 Å²	79	140.9 Å²	140.9	81%	0.814	81%	0.808	S	S	*	*			trans	176.6	135.5	160	0	0	0	0	0	112
630	S	28.6	Very low	30.1	Very low	116 Å²	116	141 Å²	141	81%	0.811	80%	0.801	S	S	*	*			trans	-175.7	150.4	178.5	-179	0	0	0	0	110.7
631	P	47.6	Very low	30.2	Very low	126 Å²	126	133.3 Å²	133.3	82%	0.818	78%	0.777	S	S	*	*			cis	-119	171.9	-24.5	36.2	-22.7	0	0	0	112.3
632	G	26.4	Very low	30.7	Very low	71 Å²	71	128 Å²	128	73%	0.732	76%	0.759	S	S	*	*			trans	-176.8	113.1	169.6	0	0	0	0	0	114.4
633	D	28.2	Very low	31.2	Very low	145 Å²	145	128.1 Å²	128.1	78%	0.775	76%	0.755	S	S	*	*			trans	47.2	142.2	149	-84.9	27.6	0	0	0	124.6
634	N	28.6	Very low	31.8	Very low	145 Å²	145	122.3 Å²	122.3	78%	0.775	74%	0.738	S	S	*	*			trans	66.6	73.5	147.5	-58.1	-30.1	0	0	0	119.7
635	G	27.4	Very low	32.7	Very low	81 Å²	81	123.6 Å²	123.6	84%	0.835	73%	0.727	S	S	*	*				57.1	111.7	97.2	0	0	0	0	0	120.2
636	S	27	Very low	33.5	Very low	109 Å²	109	124.6 Å²	124.6	76%	0.762	72%	0.72	S	S	*	*			trans	-151.4	120.4	139.6	-172.9	0	0	0	0	109.9
637	F	25.6	Very low	34.4	Very low	195 Å²	195	119.7 Å²	119.7	86%	0.855	71%	0.706	S	S	*	*			trans	-143	125.1	165.4	-139.4	-95.2	0	0	0	107.4	L639	F637-L639 PolarHBondContact O-N 2.81Å; F637-L639 VanDerWaalsContact O-N 3.13Å
638	S	31.8	Very low	35.2	Very low	85 Å²	85	116.8 Å²	116.8	59%	0.594	69%	0.69	S	S	*	*			trans	-85.9	92.9	-156.5	-64.1	0	0	0	0	113.5	L640 G641	S638-L640 PolarHBondContact O-N 2.88Å; S638-G641 PolarHBondContact O-N 3.41Å
639	L	34.3	Very low	35.8	Very low	128 Å²	128	111 Å²	111	67%	0.67	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	0.8	172.1	-85	167.3	0	0	0	116.3	F637	F637-L639 PolarHBondContact O-N 2.81Å; F637-L639 VanDerWaalsContact O-N 3.13Å
640	L	33	Very low	36.6	Very low	138 Å²	138	114.5 Å²	114.5	72%	0.723	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-38.8	168.3	-93.5	76.5	0	0	0	112.3	S638 L643 E644	S638-L640 PolarHBondContact O-N 2.88Å; L640-L643 PolarHBondContact O-N 2.99Å; L640-E644 PolarHBondContact O-N 2.95Å; L640-E644 VanDerWaalsContact O-N 3.12Å
641	G	34.1	Very low	37.6	Very low	37 Å²	37	113.7 Å²	113.7	38%	0.381	65%	0.646	S	S	.	*	H	α-helix	trans	-63.1	-52.4	-176.3	0	0	0	0	0	111.7	S638 L643 E644 D645	S638-G641 PolarHBondContact O-N 3.41Å; G641-L643 PolarHBondContact O-N 3.27Å; G641-L643 VanDerWaalsContact O-N 3.1Å; G641-E644 PolarHBondContact O-N 3.21Å; G641-D645 PolarHBondContact O-N 3.44Å
642	D	38.9	Very low	37.4	Very low	93 Å²	93	113.6 Å²	113.6	50%	0.497	63%	0.634	S	S	.	*	H	α-helix	trans	-61	-22.5	179.2	-51.7	-19.9	0	0	0	113	M646	D642-M646 WeakPolarHBondContact O-CB 3.35Å; D642-M646 WeakPolarHBondContact O-CG 3.43Å; D642-M646 PolarHBondContact O-N 3.02Å; D642-M646 VanDerWaalsContact O-N 3.15Å
643	L	40.5	Very low	38.4	Very low	114 Å²	114	112.9 Å²	112.9	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-82.1	-37.7	175	-109.4	75.9	0	0	0	112.7	L640 G641 T647	L640-L643 PolarHBondContact O-N 2.99Å; G641-L643 PolarHBondContact O-N 3.27Å; G641-L643 VanDerWaalsContact O-N 3.1Å; L643-T647 WeakPolarHBondContact O-CB 3.14Å; L643-T647 PolarHBondContact O-N 3.28Å; L643-T647 PolarHBondContact O-OG1 3.49Å
644	E	39.9	Very low	39.5	Very low	131 Å²	131	109.2 Å²	109.2	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-70.1	-38.7	173.3	-72.9	-173	137.7	0	0	111.2	L640 G641 T647 Q648	L640-E644 PolarHBondContact O-N 2.95Å; L640-E644 VanDerWaalsContact O-N 3.12Å; G641-E644 PolarHBondContact O-N 3.21Å; E644-T647 PolarHBondContact O-N 3.45Å; E644-Q648 WeakPolarHBondContact O-CB 3.36Å; E644-Q648 WeakPolarHBondContact O-CG 3.36Å; E644-Q648 PolarHBondContact O-N 3Å
645	D	45.4	Very low	40.6	Very low	103 Å²	103	106.3 Å²	106.3	55%	0.551	59%	0.586	S	S	*	*	H	α-helix	trans	-62.6	-47.8	172.3	-97.7	1.7	0	0	0	111.7	G641 T647 Q648 V649	G641-D645 PolarHBondContact O-N 3.44Å; D645-T647 PolarHBondContact O-N 2.95Å; D645-Q648 PolarHBondContact O-N 3.06Å; D645-V649 WeakPolarHBondContact O-CB 3.46Å; D645-V649 WeakPolarHBondContact O-CG2 3.32Å; D645-V649 PolarHBondContact O-N 2.76Å
646	M	46	Very low	41.8	Very low	138 Å²	138	107.1 Å²	107.1	68%	0.68	57%	0.57	S	S	*	*	H	α-helix	trans	-62.5	-31.4	176.2	-78.6	-72.1	-68.7	0	0	112.9	D642 Y650	D642-M646 WeakPolarHBondContact O-CB 3.35Å; D642-M646 WeakPolarHBondContact O-CG 3.43Å; D642-M646 PolarHBondContact O-N 3.02Å; D642-M646 VanDerWaalsContact O-N 3.15Å; M646-Y650 WeakPolarHBondContact O-CB 3.46Å; M646-Y650 PolarHBondContact O-N 2.79Å
647	T	49.7	Very low	42.5	Very low	86 Å²	86	105.5 Å²	105.5	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-72.9	-42.6	174.6	-54.9	0	0	0	0	110.9	L643 E644 D645 Y650 Q651	L643-T647 WeakPolarHBondContact O-CB 3.14Å; L643-T647 PolarHBondContact O-N 3.28Å; L643-T647 PolarHBondContact O-OG1 3.49Å; E644-T647 PolarHBondContact O-N 3.45Å; D645-T647 PolarHBondContact O-N 2.95Å; T647-Y650 PolarHBondContact O-N 2.94Å; T647-Q651 WeakPolarHBondContact O-CB 3.23Å; T647-Q651 PolarHBondContact O-N 3.47Å
648	Q	45.1	Very low	43.5	Very low	122 Å²	122	100.4 Å²	100.4	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-65.6	-40.9	176	-76.5	178.4	70.2	0	0	112.3	E644 D645 Y650 Q651 Q652	E644-Q648 WeakPolarHBondContact O-CB 3.36Å; E644-Q648 WeakPolarHBondContact O-CG 3.36Å; E644-Q648 PolarHBondContact O-N 3Å; D645-Q648 PolarHBondContact O-N 3.06Å; Q648-Y650 VanDerWaalsContact C-N 3.32Å; Q648-Y650 PolarHBondContact O-N 2.71Å; Q648-Q651 PolarHBondContact O-N 3.02Å; Q648-Q652 WeakPolarHBondContact O-CB 3.44Å; Q648-Q652 PolarHBondContact O-N 2.64Å
649	V	45.7	Very low	44.2	Very low	89 Å²	89	102.7 Å²	102.7	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-62.8	-39.3	174.8	168.9	0	0	0	0	111.2	D645 A653	D645-V649 WeakPolarHBondContact O-CB 3.46Å; D645-V649 WeakPolarHBondContact O-CG2 3.32Å; D645-V649 PolarHBondContact O-N 2.76Å; V649-A653 VanDerWaalsContact O-CB 3.29Å; V649-A653 WeakPolarHBondContact O-CB 3.27Å; V649-A653 PolarHBondContact O-N 2.86Å
650	Y	44	Very low	44.8	Very low	152 Å²	152	103.3 Å²	103.3	60%	0.596	55%	0.549	S	S	*	.	H	α-helix	trans	-65.9	-43.5	173.8	-177.2	-100.9	0	0	0	111.9	M646 T647 Q648 A653 L654	M646-Y650 WeakPolarHBondContact O-CB 3.46Å; M646-Y650 PolarHBondContact O-N 2.79Å; T647-Y650 PolarHBondContact O-N 2.94Å; Q648-Y650 VanDerWaalsContact C-N 3.32Å; Q648-Y650 PolarHBondContact O-N 2.71Å; Y650-A653 PolarHBondContact O-N 3.24Å; Y650-L654 HydrophobicContact CD1-CD1 4.01Å; Y650-L654 HydrophobicContact CE1-CD1 3.57Å; Y650-L654 HydrophobicContact CE1-CG 4.36Å; Y650-L654 WeakPolarHBondContact O-CG 3.19Å; Y650-L654 PolarHBondContact O-N 2.94Å; Y650-L654 VanDerWaalsContact O-N 3.09Å
651	Q	50.7	Low	45.3	Very low	100 Å²	100	105.3 Å²	105.3	47%	0.467	57%	0.568	S	S	.	*	H	α-helix	trans	-65.4	-44	178.1	-145.1	69	22.4	0	0	111.7	T647 Q648 A653 L654 D655	T647-Q651 WeakPolarHBondContact O-CB 3.23Å; T647-Q651 PolarHBondContact O-N 3.47Å; Q648-Q651 PolarHBondContact O-N 3.02Å; Q651-A653 VanDerWaalsContact C-N 3.32Å; Q651-A653 PolarHBondContact O-N 3.07Å; Q651-L654 WeakPolarHBondContact O-CB 3.34Å; Q651-L654 PolarHBondContact O-N 3.26Å; Q651-L654 VanDerWaalsContact O-N 3.12Å; Q651-D655 PolarHBondContact O-N 3.13Å
652	Q	43.2	Very low	45.8	Very low	123 Å²	123	108.8 Å²	108.8	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-66.6	-32.5	177.4	-168.4	175.1	40.1	0	0	112.1	Q648 D655 I656	Q648-Q652 WeakPolarHBondContact O-CB 3.44Å; Q648-Q652 PolarHBondContact O-N 2.64Å; Q652-D655 PolarHBondContact O-N 2.89Å; Q652-I656 HydrophobicContact CG-CD1 4.09Å; Q652-I656 WeakPolarHBondContact O-CB 3.43Å; Q652-I656 WeakPolarHBondContact O-CD1 3.42Å; Q652-I656 WeakPolarHBondContact O-CG1 3.47Å; Q652-I656 PolarHBondContact O-N 2.82Å
653	A	46.2	Very low	46.2	Very low	56 Å²	56	109.6 Å²	109.6	46%	0.463	58%	0.581	S	S	.	*	H	α-helix	trans	-67.6	-36.2	171.3	0	0	0	0	0	112.5	V649 Y650 Q651 S657	V649-A653 VanDerWaalsContact O-CB 3.29Å; V649-A653 WeakPolarHBondContact O-CB 3.27Å; V649-A653 PolarHBondContact O-N 2.86Å; Y650-A653 PolarHBondContact O-N 3.24Å; Q651-A653 VanDerWaalsContact C-N 3.32Å; Q651-A653 PolarHBondContact O-N 3.07Å; A653-S657 WeakPolarHBondContact O-CB 3.48Å; A653-S657 PolarHBondContact O-N 3.12Å
654	L	52.7	Low	46.5	Very low	68 Å²	68	109.3 Å²	109.3	36%	0.356	58%	0.58	S	S	.	*	H	α-helix	trans	-66.9	-46.1	171.3	-69.2	171	0	0	0	111.3	Y650 Q651 I656 S657 N658	Y650-L654 HydrophobicContact CD1-CD1 4.01Å; Y650-L654 HydrophobicContact CE1-CD1 3.57Å; Y650-L654 HydrophobicContact CE1-CG 4.36Å; Y650-L654 WeakPolarHBondContact O-CG 3.19Å; Y650-L654 PolarHBondContact O-N 2.94Å; Y650-L654 VanDerWaalsContact O-N 3.09Å; Q651-L654 WeakPolarHBondContact O-CB 3.34Å; Q651-L654 PolarHBondContact O-N 3.26Å; Q651-L654 VanDerWaalsContact O-N 3.12Å; L654-I656 PolarHBondContact O-N 2.84Å; L654-S657 CarbonylContact O-C 3.59Å; L654-S657 WeakPolarHBondContact O-CA 3.44Å; L654-S657 WeakPolarHBondContact O-CB 3.38Å; L654-S657 PolarHBondContact O-N 3.35Å; L654-S657 VanDerWaalsContact O-N 3.09Å; L654-N658 WeakPolarHBondContact O-CB 3.29Å; L654-N658 VanDerWaalsContact O-CG 3.27Å; L654-N658 PolarHBondContact O-N 3.35Å
655	D	51.1	Low	46.9	Very low	85 Å²	85	108.1 Å²	108.1	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-62.2	-41.8	178	-70.7	-23.3	0	0	0	112	Q651 Q652 S657 N658 N659	Q651-D655 PolarHBondContact O-N 3.13Å; Q652-D655 PolarHBondContact O-N 2.89Å; D655-S657 VanDerWaalsContact C-N 3.32Å; D655-S657 PolarHBondContact O-N 3.3Å; D655-N658 PolarHBondContact O-N 3.49Å; D655-N659 PolarHBondContact O-N 2.8Å; D655-N659 PolarHBondContact O-ND2 3.2Å
656	I	51.8	Low	47	Very low	98 Å²	98	108.4 Å²	108.4	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-64.2	-38.2	173.6	-70.3	166	0	0	0	110.8	Q652 L654 N658 N659 L660	Q652-I656 HydrophobicContact CG-CD1 4.09Å; Q652-I656 WeakPolarHBondContact O-CB 3.43Å; Q652-I656 WeakPolarHBondContact O-CD1 3.42Å; Q652-I656 WeakPolarHBondContact O-CG1 3.47Å; Q652-I656 PolarHBondContact O-N 2.82Å; L654-I656 PolarHBondContact O-N 2.84Å; I656-N658 VanDerWaalsContact C-N 3.32Å; I656-N658 PolarHBondContact O-N 2.86Å; I656-N659 PolarHBondContact O-N 2.81Å; I656-L660 HydrophobicContact CG2-CD1 4.03Å; I656-L660 WeakPolarHBondContact O-CD1 3.27Å; I656-L660 WeakPolarHBondContact O-CG 3.2Å
657	S	42.8	Very low	47.1	Very low	75 Å²	75	106.4 Å²	106.4	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-66.6	-32.3	174.8	-170.1	0	0	0	0	113	A653 L654 D655	A653-S657 WeakPolarHBondContact O-CB 3.48Å; A653-S657 PolarHBondContact O-N 3.12Å; L654-S657 CarbonylContact O-C 3.59Å; L654-S657 WeakPolarHBondContact O-CA 3.44Å; L654-S657 WeakPolarHBondContact O-CB 3.38Å; L654-S657 PolarHBondContact O-N 3.35Å; L654-S657 VanDerWaalsContact O-N 3.09Å; D655-S657 VanDerWaalsContact C-N 3.32Å; D655-S657 PolarHBondContact O-N 3.3Å
658	N	46.7	Very low	46.9	Very low	87 Å²	87	107.9 Å²	107.9	47%	0.465	58%	0.577	S	S	.	*	H	α-helix	trans	-79.6	-25.5	178.9	-70.7	-15.1	0	0	0	112.7	L654 D655 I656 L660 T661	L654-N658 WeakPolarHBondContact O-CB 3.29Å; L654-N658 VanDerWaalsContact O-CG 3.27Å; L654-N658 PolarHBondContact O-N 3.35Å; D655-N658 PolarHBondContact O-N 3.49Å; I656-N658 VanDerWaalsContact C-N 3.32Å; I656-N658 PolarHBondContact O-N 2.86Å; N658-L660 VanDerWaalsContact C-N 3.34Å; N658-T661 PolarHBondContact O-OG1 2.81Å
659	N	46.8	Very low	47	Very low	133 Å²	133	106.8 Å²	106.8	71%	0.711	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	10.7	177.5	-75.3	-85.8	0	0	0	113.8	D655 I656	D655-N659 PolarHBondContact O-N 2.8Å; D655-N659 PolarHBondContact O-ND2 3.2Å; I656-N659 PolarHBondContact O-N 2.81Å
660	L	45.7	Very low	47.1	Very low	141 Å²	141	108.3 Å²	108.3	74%	0.738	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	20	177.9	-74.5	172.1	0	0	0	113.3	I656 N658	I656-L660 HydrophobicContact CG2-CD1 4.03Å; I656-L660 WeakPolarHBondContact O-CD1 3.27Å; I656-L660 WeakPolarHBondContact O-CG 3.2Å; N658-L660 VanDerWaalsContact C-N 3.34Å
661	T	44.2	Very low	47.4	Very low	181 Å²	181	104.3 Å²	104.3	100%	1.11	58%	0.579	S	S	*	*			trans	-129.6	0	172.2	54.5	0	0	0	0	111.1	N658	N658-T661 PolarHBondContact O-OG1 2.81Å

Retrieved 661 of 661 residues in 626.2 ms (Link to these results)

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