A0A087XUA1_POEFO Loading...

dual-specificity kinase

AlphaFold DB (A0A3B3VQP6), UniProt , Accession A0A087XUA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 713 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	34.1	Very low	35.5	Very low	243 Å²	243	145.5 Å²	145.5	100%	1.197	81%	0.809	S	S	*	*				0	153.7	0	-74.7	170.7	165	0	0	108.4
2	A	31.7	Very low	34.7	Very low	102 Å²	102	152.2 Å²	152.2	84%	0.843	82%	0.815	S	S	*	*			trans	31.6	124.6	163.7	0	0	0	0	0	121.1
3	A	35.1	Very low	34.3	Very low	92 Å²	92	147.4 Å²	147.4	76%	0.76	80%	0.801	S	S	*	*			trans	-85	-178.4	149.3	0	0	0	0	0	109.7
4	P	56	Low	33.9	Very low	129 Å²	129	147.3 Å²	147.3	84%	0.838	80%	0.8	S	S	*	*				-149.9	179.9	77.9	39.6	-20	0	0	0	116.6
5	M	34.9	Very low	33.6	Very low	167 Å²	167	150.2 Å²	150.2	82%	0.823	79%	0.794	S	S	*	*			trans	-76.7	177.1	164.1	-62	-83.4	-151.8	0	0	111.3
6	P	50.6	Low	33.4	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	79%	0.789	S	S	*	*				-147.8	175.9	91.6	39.3	-21.9	0	0	0	117.7
7	H	32.2	Very low	33.2	Very low	167 Å²	167	151.8 Å²	151.8	77%	0.773	79%	0.791	S	S	*	*			trans	-59.2	179.9	173.7	-50.1	-92.1	0	0	0	115.2
8	T	29.7	Very low	33.7	Very low	123 Å²	123	149.9 Å²	149.9	76%	0.755	79%	0.789	S	S	*	*			cis	-165.7	157.3	15.5	-15.4	0	0	0	0	113.5
9	H	30.2	Very low	33.4	Very low	151 Å²	151	147.9 Å²	147.9	70%	0.699	79%	0.789	S	S	*	*			trans	31.7	125	144.9	-88.6	-118.4	0	0	0	126.4
10	Q	28.2	Very low	33.2	Very low	147 Å²	147	147.1 Å²	147.1	69%	0.687	79%	0.789	S	S	*	*				77	136.9	124.6	-85.3	-179.8	-40.6	0	0	126.6
11	Q	27.9	Very low	33.1	Very low	158 Å²	158	146.7 Å²	146.7	74%	0.738	79%	0.787	S	S	*	*			trans	68.1	118.8	146.7	-73.9	-178.4	-22.3	0	0	122.1
12	Y	26.3	Very low	32.8	Very low	226 Å²	226	142.8 Å²	142.8	89%	0.886	77%	0.766	S	S	*	*				-158.6	175.9	99.8	-125.9	-98	0	0	0	112.5
13	S	29.3	Very low	32.7	Very low	90 Å²	90	143.1 Å²	143.1	63%	0.629	76%	0.762	S	S	*	*			trans	-100.4	148.6	-168.7	-53.7	0	0	0	0	115.3
14	D	28.3	Very low	32.3	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	76%	0.761	S	S	*	*				172.1	138.7	106.5	-90.1	-29.4	0	0	0	109.7
15	R	29.1	Very low	31.1	Very low	191 Å²	191	144.2 Å²	144.2	72%	0.721	76%	0.757	S	S	*	*			cis	89	90.3	41.8	-162.9	-165.3	-159.9	-132.6	13	113
16	H	30.2	Very low	30.6	Very low	153 Å²	153	142.8 Å²	142.8	71%	0.708	76%	0.758	S	S	*	*				-178.9	135	115.3	-98.7	-71.9	0	0	0	114.3
17	Q	30.1	Very low	29.8	Very low	175 Å²	175	144.4 Å²	144.4	82%	0.818	76%	0.759	S	S	*	*			trans	-92.8	163	157.8	-106.2	178.4	-2.5	0	0	108.4
18	P	43.4	Very low	30.7	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	76%	0.756	S	S	*	*				-125.6	-156.6	53.8	26.3	-1.2	0	0	0	111.8
19	S	27.6	Very low	30.6	Very low	112 Å²	112	146 Å²	146	78%	0.783	76%	0.76	S	S	*	*			cis	-152.3	171.6	17	-54.7	0	0	0	0	113.8
20	T	30	Very low	30.6	Very low	130 Å²	130	143.5 Å²	143.5	80%	0.798	76%	0.76	S	S	*	*			trans	-96.2	151.3	170.5	47.1	0	0	0	0	112.5
21	D	29.5	Very low	30.8	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	77%	0.765	S	S	*	*				-169.9	-166.5	100.7	-139.9	-25.2	0	0	0	113.1
22	Q	29.3	Very low	30.8	Very low	162 Å²	162	144.5 Å²	144.5	76%	0.757	77%	0.769	S	S	*	*			trans	-102.5	152	-152.4	-71.4	157.6	78.4	0	0	119.1
23	S	28.2	Very low	31.2	Very low	108 Å²	108	140 Å²	140	76%	0.755	77%	0.765	S	S	*	*			trans	91.4	156.4	132.7	75.1	0	0	0	0	124.1
24	V	27.9	Very low	31.7	Very low	122 Å²	122	141.5 Å²	141.5	74%	0.739	77%	0.773	S	S	*	*			trans	73.1	92.4	163	-162.7	0	0	0	0	120.4
25	T	29.2	Very low	32	Very low	123 Å²	123	142.6 Å²	142.6	76%	0.755	77%	0.773	S	S	*	*				34.5	126	121.3	-35.9	0	0	0	0	121.3
26	V	26	Very low	32	Very low	137 Å²	137	141.9 Å²	141.9	83%	0.83	78%	0.783	S	S	*	*				172.4	145.4	120.8	151.9	0	0	0	0	111.8
27	L	32.5	Very low	32.2	Very low	155 Å²	155	140.9 Å²	140.9	81%	0.812	79%	0.787	S	S	*	*			trans	-83.3	163.9	175.3	-75.9	171.1	0	0	0	110.9
28	P	52.8	Low	32.5	Very low	111 Å²	111	136.6 Å²	136.6	72%	0.721	78%	0.782	S	S	*	*				-164.5	-159.8	55	46.3	-22.1	0	0	0	119.1
29	Y	26.4	Very low	32	Very low	212 Å²	212	138.9 Å²	138.9	83%	0.831	79%	0.788	S	S	*	*			trans	91.9	107.5	155.4	-100.9	-118.2	0	0	0	121.5
30	S	30.9	Very low	32.5	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	79%	0.792	S	S	*	*				39	155.9	127.8	66.6	0	0	0	0	123.6
31	D	32.1	Very low	33	Very low	149 Å²	149	148.2 Å²	148.2	80%	0.797	80%	0.799	S	S	*	*			cis	-177.8	-177.4	-22.5	-170.6	15.9	0	0	0	107.4
32	Q	28.3	Very low	33.4	Very low	177 Å²	177	150.4 Å²	150.4	83%	0.827	81%	0.805	S	S	*	*			trans	98.8	139.1	167.2	-54.7	-173.8	10.9	0	0	117.8
33	T	34	Very low	34	Very low	130 Å²	130	150.8 Å²	150.8	80%	0.798	81%	0.809	S	S	*	*			trans	-144	160.1	178.9	52	0	0	0	0	109.8
34	P	39.7	Very low	34.7	Very low	122 Å²	122	151.2 Å²	151.2	79%	0.792	81%	0.809	S	S	*	*				-136.6	133.8	118	33.8	-22	0	0	0	111.5
35	Q	34.8	Very low	35.8	Very low	170 Å²	170	154.6 Å²	154.6	79%	0.794	82%	0.816	S	S	*	*				84.5	106.1	53.3	-173.1	-174.1	86.4	0	0	113.8
36	L	29.8	Very low	37.2	Very low	176 Å²	176	159.4 Å²	159.4	92%	0.921	82%	0.821	S	S	*	*			trans	-148.6	151.1	149.8	-97.6	177.4	0	0	0	109.7
37	T	34.5	Very low	38.7	Very low	131 Å²	131	162.8 Å²	162.8	80%	0.804	83%	0.825	S	S	*	*			trans	-100.9	170.7	-167.7	49.7	0	0	0	0	112.3
38	A	35.7	Very low	40	Very low	86 Å²	86	164.4 Å²	164.4	71%	0.711	82%	0.82	S	S	*	*			cis	-154.9	-173.2	17.3	0	0	0	0	0	113.7
39	N	33	Very low	40.7	Very low	165 Å²	165	163.2 Å²	163.2	88%	0.882	81%	0.807	S	S	*	*			trans	70.4	67.4	164.2	-81.3	-16.6	0	0	0	119.5
40	Q	37.2	Very low	42.6	Very low	187 Å²	187	157.9 Å²	157.9	87%	0.874	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-103.9	136	144.3	-68.7	-171.3	5.8	0	0	110.5
41	R	40.6	Very low	44.4	Very low	251 Å²	251	156.6 Å²	156.6	95%	0.947	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.8	127.3	173.4	-70.4	178.9	175.5	166.5	-1.3	109.4	M43	R41-M43 PolarHBondContact O-N 3.47Å
42	H	38.5	Very low	46.3	Very low	186 Å²	186	151.7 Å²	151.7	86%	0.861	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.5	-178.9	-87.5	34.9	0	0	0	112.7
43	M	41.2	Very low	48.7	Very low	170 Å²	170	144.4 Å²	144.4	84%	0.837	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-78.2	134.4	147	-89	-165.5	171.4	0	0	108.6	R41 Q45	R41-M43 PolarHBondContact O-N 3.47Å; M43-Q45 PolarHBondContact O-N 3.08Å; M43-Q45 VanDerWaalsContact O-N 3.14Å
44	P	44.3	Very low	50.8	Low	117 Å²	117	141.8 Å²	141.8	76%	0.76	72%	0.72	S	S	*	*			trans	-71.4	109	175.6	28	-32.6	0	0	0	110.5	R46	P44-R46 PolarHBondContact O-N 3.15Å
45	Q	51.1	Low	52.6	Low	192 Å²	192	142.9 Å²	142.9	90%	0.897	72%	0.718	S	S	*	*			trans	-70.3	73.3	169.3	-74.4	-164.8	-1.5	0	0	111.3	M43	M43-Q45 PolarHBondContact O-N 3.08Å; M43-Q45 VanDerWaalsContact O-N 3.14Å
46	R	58	Low	54.7	Low	224 Å²	224	138.9 Å²	138.9	85%	0.845	70%	0.696	S	S	*	*			trans	-132.5	93.4	159.5	-72.5	-169.6	178	-174.4	-0.3	108.1	P44 R48	P44-R46 PolarHBondContact O-N 3.15Å; R46-R48 PolarHBondContact O-N 3.31Å
47	F	56.5	Low	57.1	Low	209 Å²	209	135 Å²	135	92%	0.917	67%	0.671	S	S	*	*			trans	-52.5	124.2	161	-82.3	-90.9	0	0	0	107.8	D49	F47-D49 PolarHBondContact O-N 2.86Å
48	R	60.3	Low	59.1	Low	189 Å²	189	134.5 Å²	134.5	71%	0.713	66%	0.663	S	S	*	*			trans	-61.6	134.5	169.3	-84.7	-178.5	168.1	157.8	-3.9	107.8	R46 P50	R46-R48 PolarHBondContact O-N 3.31Å; R48-P50 WeakPolarHBondContact O-CD 3.43Å; R48-P50 VanDerWaalsContact O-N 3.16Å
49	D	68.9	Low	61.3	Low	85 Å²	85	133.5 Å²	133.5	46%	0.455	65%	0.651	S	S	.	*			trans	-42.8	120.6	169.8	168.3	-0.8	0	0	0	109.6	F47 T51 S52 A53	F47-D49 PolarHBondContact O-N 2.86Å; D49-T51 PolarHBondContact O-N 2.91Å; D49-T51 VanDerWaalsContact O-N 3.13Å; D49-T51 WeakPolarHBondContact OD1-CB 3.45Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.43Å; D49-T51 PolarHBondContact OD1-N 2.92Å; D49-T51 PolarHBondContact OD1-OG1 2.92Å; D49-T51 PolarHBondContact OD2-OG1 3.25Å; D49-S52 WeakPolarHBondContact O-CA 3.43Å; D49-S52 WeakPolarHBondContact O-CB 3.36Å; D49-S52 PolarHBondContact O-N 3.45Å; D49-S52 PolarHBondContact O-OG 3.06Å; D49-A53 PolarHBondContact O-N 2.99Å
50	P	66.1	Low	63.8	Low	100 Å²	100	131.9 Å²	131.9	65%	0.649	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-29.3	-179.3	-28.1	36	0	0	0	113.9	R48 S52 A53 R56	R48-P50 WeakPolarHBondContact O-CD 3.43Å; R48-P50 VanDerWaalsContact O-N 3.16Å; P50-S52 VanDerWaalsContact C-N 3.31Å; P50-A53 WeakPolarHBondContact O-CB 3.45Å; P50-A53 PolarHBondContact O-N 3.39Å; P50-R56 WeakPolarHBondContact O-CD 3.46Å
51	T	67.5	Low	66	Low	73 Å²	73	123.8 Å²	123.8	45%	0.448	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-29.3	175.5	79.4	0	0	0	0	112.3	D49	D49-T51 PolarHBondContact O-N 2.91Å; D49-T51 VanDerWaalsContact O-N 3.13Å; D49-T51 WeakPolarHBondContact OD1-CB 3.45Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.43Å; D49-T51 PolarHBondContact OD1-N 2.92Å; D49-T51 PolarHBondContact OD1-OG1 2.92Å; D49-T51 PolarHBondContact OD2-OG1 3.25Å
52	S	71.8	Confident	68.1	Low	45 Å²	45	116.1 Å²	116.1	32%	0.315	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-16.8	177.8	81.7	0	0	0	0	113.7	D49 P50 K57	D49-S52 WeakPolarHBondContact O-CA 3.43Å; D49-S52 WeakPolarHBondContact O-CB 3.36Å; D49-S52 PolarHBondContact O-N 3.45Å; D49-S52 PolarHBondContact O-OG 3.06Å; P50-S52 VanDerWaalsContact C-N 3.31Å; S52-K57 WeakPolarHBondContact O-CE 3.29Å
53	A	80.3	Confident	70.2	Confident	25 Å²	25	113.2 Å²	113.2	21%	0.207	57%	0.571	C	S	.	*			trans	-59	133.2	-166.8	0	0	0	0	0	112.9	D49 P50 L55 R56 K57	D49-A53 PolarHBondContact O-N 2.99Å; P50-A53 WeakPolarHBondContact O-CB 3.45Å; P50-A53 PolarHBondContact O-N 3.39Å; A53-L55 VanDerWaalsContact C-N 3.26Å; A53-L55 PolarHBondContact O-N 3.27Å; A53-R56 HydrophobicContact CB-CB 4.39Å; A53-R56 PolarHBondContact O-N 3.02Å; A53-K57 PolarHBondContact O-N 3.4Å
54	P	76.3	Confident	72.4	Confident	75 Å²	75	111.9 Å²	111.9	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-54.8	-40.5	-179.7	-27.8	35.1	0	0	0	113.3	R56 K57 L58	P54-R56 VanDerWaalsContact C-N 3.33Å; P54-R56 PolarHBondContact O-N 3.19Å; P54-K57 PolarHBondContact O-N 2.81Å; P54-L58 WeakPolarHBondContact O-CB 3.46Å; P54-L58 VanDerWaalsContact O-CG 3.28Å; P54-L58 WeakPolarHBondContact O-CG 3.17Å; P54-L58 PolarHBondContact O-N 3.11Å
55	L	77.6	Confident	74.2	Confident	144 Å²	144	107.6 Å²	107.6	75%	0.754	53%	0.532	S	S	*	.	H	α-helix	trans	-61.5	-38.8	178.9	-169.3	66.3	0	0	0	112.4	A53 L58 S59	A53-L55 VanDerWaalsContact C-N 3.26Å; A53-L55 PolarHBondContact O-N 3.27Å; L55-L58 PolarHBondContact O-N 2.79Å; L55-S59 WeakPolarHBondContact O-CB 3.34Å; L55-S59 PolarHBondContact O-N 3.31Å; L55-S59 PolarHBondContact O-OG 3.47Å
56	R	79.9	Confident	75.5	Confident	87 Å²	87	105.5 Å²	105.5	33%	0.328	52%	0.517	S	S	.	.	H	α-helix	trans	-70.6	-42.1	176	-167.8	-176	-170.4	-119.4	19.1	111.6	P50 A53 P54 L58 S59 I60 D61	P50-R56 WeakPolarHBondContact O-CD 3.46Å; A53-R56 HydrophobicContact CB-CB 4.39Å; A53-R56 PolarHBondContact O-N 3.02Å; P54-R56 VanDerWaalsContact C-N 3.33Å; P54-R56 PolarHBondContact O-N 3.19Å; R56-L58 PolarHBondContact O-N 2.8Å; R56-S59 CarbonylContact O-C 3.53Å; R56-S59 PolarHBondContact O-N 2.8Å; R56-S59 VanDerWaalsContact O-N 3.14Å; R56-I60 HydrophobicContact CG-CB 3.98Å; R56-I60 HydrophobicContact CG-CD1 4.27Å; R56-I60 HydrophobicContact CG-CG1 4.35Å; R56-I60 PolarHBondContact O-N 3.25Å; R56-D61 IonicContact CZ-OD2 3.94Å; R56-D61 IonicContact NE-OD2 3.35Å; R56-D61 IonicContact NH1-OD1 3.95Å; R56-D61 IonicContact NH1-OD2 2.67Å; R56-D61 PolarHBondContact NH1-OD2 2.81Å; R56-D61 PolarHBondContact O-N 2.91Å
57	K	79.9	Confident	76.8	Confident	94 Å²	94	101.7 Å²	101.7	41%	0.409	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-27.3	175.9	-70.3	-172.9	176.5	-178.2	0	113.4	S52 A53 P54 L62 T65	S52-K57 WeakPolarHBondContact O-CE 3.29Å; A53-K57 PolarHBondContact O-N 3.4Å; P54-K57 PolarHBondContact O-N 2.81Å; K57-L62 WeakPolarHBondContact O-CA 3.16Å; K57-T65 WeakPolarHBondContact O-CB 3.25Å; K57-T65 PolarHBondContact O-OG1 3.33Å
58	L	77.3	Confident	78.1	Confident	120 Å²	120	97 Å²	97	63%	0.628	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-0	177.1	-64.9	171.7	0	0	0	113.8	P54 L55 R56	P54-L58 WeakPolarHBondContact O-CB 3.46Å; P54-L58 VanDerWaalsContact O-CG 3.28Å; P54-L58 WeakPolarHBondContact O-CG 3.17Å; P54-L58 PolarHBondContact O-N 3.11Å; L55-L58 PolarHBondContact O-N 2.79Å; R56-L58 PolarHBondContact O-N 2.8Å
59	S	81.2	Confident	79.1	Confident	65 Å²	65	92.8 Å²	92.8	46%	0.455	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-86	177.1	56.3	0	0	0	0	111.5	L55 R56 D61 L62	L55-S59 WeakPolarHBondContact O-CB 3.34Å; L55-S59 PolarHBondContact O-N 3.31Å; L55-S59 PolarHBondContact O-OG 3.47Å; R56-S59 CarbonylContact O-C 3.53Å; R56-S59 PolarHBondContact O-N 2.8Å; R56-S59 VanDerWaalsContact O-N 3.14Å; S59-D61 PolarHBondContact O-N 2.85Å; S59-L62 WeakPolarHBondContact O-CB 3.3Å; S59-L62 PolarHBondContact O-N 2.87Å
60	I	84.4	Confident	79.7	Confident	132 Å²	132	91 Å²	91	68%	0.677	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-43.5	-173.8	-54.9	-175.9	0	0	0	112.2	R56	R56-I60 HydrophobicContact CG-CB 3.98Å; R56-I60 HydrophobicContact CG-CD1 4.27Å; R56-I60 HydrophobicContact CG-CG1 4.35Å; R56-I60 PolarHBondContact O-N 3.25Å
61	D	84.9	Confident	80.7	Confident	16 Å²	16	92.5 Å²	92.5	9%	0.086	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12	-179.2	-69.4	-64.6	0	0	0	113.4	R56 S59 I63 K64 T65	R56-D61 IonicContact CZ-OD2 3.94Å; R56-D61 IonicContact NE-OD2 3.35Å; R56-D61 IonicContact NH1-OD1 3.95Å; R56-D61 IonicContact NH1-OD2 2.67Å; R56-D61 PolarHBondContact NH1-OD2 2.81Å; R56-D61 PolarHBondContact O-N 2.91Å; S59-D61 PolarHBondContact O-N 2.85Å; D61-I63 VanDerWaalsContact C-N 3.28Å; D61-I63 PolarHBondContact O-N 3.45Å; D61-I63 VanDerWaalsContact O-N 3.09Å; D61-K64 WeakPolarHBondContact O-CA 3.08Å; D61-K64 WeakPolarHBondContact O-CB 3.49Å; D61-K64 PolarHBondContact O-N 3.4Å; D61-K64 WeakPolarHBondContact OD1-CD 3.37Å; D61-K64 WeakPolarHBondContact OD1-CE 3.39Å; D61-K64 IonicContact OD1-NZ 3.33Å; D61-K64 PolarHBondContact OD1-NZ 3.24Å; D61-T65 PolarHBondContact O-N 2.86Å; D61-T65 PolarHBondContact O-OG1 3.4Å
62	L	84.6	Confident	81.5	Confident	90 Å²	90	92.1 Å²	92.1	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-50.6	-42.2	-170.5	-179.9	62.5	0	0	0	113.7	K57 S59 T65 Y66	K57-L62 WeakPolarHBondContact O-CA 3.16Å; S59-L62 WeakPolarHBondContact O-CB 3.3Å; S59-L62 PolarHBondContact O-N 2.87Å; L62-T65 PolarHBondContact O-N 3Å; L62-Y66 WeakPolarHBondContact O-CB 3.06Å; L62-Y66 PolarHBondContact O-N 2.94Å
63	I	82.4	Confident	82	Confident	126 Å²	126	96.4 Å²	96.4	65%	0.646	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-37.7	177.9	-61.1	175.3	0	0	0	111.7	D61 K67	D61-I63 VanDerWaalsContact C-N 3.28Å; D61-I63 PolarHBondContact O-N 3.45Å; D61-I63 VanDerWaalsContact O-N 3.09Å; I63-K67 HydrophobicContact CG2-CD 4.46Å; I63-K67 WeakPolarHBondContact O-CB 3.49Å; I63-K67 WeakPolarHBondContact O-CG 3.41Å; I63-K67 PolarHBondContact O-N 2.66Å
64	K	86.5	Confident	81.8	Confident	141 Å²	141	101.6 Å²	101.6	61%	0.613	49%	0.489	S	S	*	.	H	α-helix	trans	-71	-43.9	176.3	-57.2	178.8	-163.9	153.6	0	110.5	D61 Y66 K67 H68	D61-K64 WeakPolarHBondContact O-CA 3.08Å; D61-K64 WeakPolarHBondContact O-CB 3.49Å; D61-K64 PolarHBondContact O-N 3.4Å; D61-K64 WeakPolarHBondContact OD1-CD 3.37Å; D61-K64 WeakPolarHBondContact OD1-CE 3.39Å; D61-K64 IonicContact OD1-NZ 3.33Å; D61-K64 PolarHBondContact OD1-NZ 3.24Å; K64-Y66 VanDerWaalsContact C-N 3.33Å; K64-Y66 PolarHBondContact O-N 3.36Å; K64-K67 PolarHBondContact O-N 2.79Å; K64-H68 WeakPolarHBondContact O-CB 3.36Å; K64-H68 PolarHBondContact O-N 2.88Å
65	T	83.6	Confident	81.9	Confident	28 Å²	28	100 Å²	100	17%	0.172	48%	0.482	C	S	.	.	H	α-helix	trans	-56.3	-47.4	173.9	-58.3	0	0	0	0	110.8	K57 D61 L62 H68 I69	K57-T65 WeakPolarHBondContact O-CB 3.25Å; K57-T65 PolarHBondContact O-OG1 3.33Å; D61-T65 PolarHBondContact O-N 2.86Å; D61-T65 PolarHBondContact O-OG1 3.4Å; L62-T65 PolarHBondContact O-N 3Å; T65-H68 PolarHBondContact O-N 3.37Å; T65-I69 HydrophobicContact CG2-CD1 3.77Å; T65-I69 WeakPolarHBondContact O-CB 3.37Å; T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.43Å; T65-I69 PolarHBondContact O-N 3.45Å
66	Y	78.4	Confident	82.1	Confident	147 Å²	147	98.7 Å²	98.7	58%	0.576	47%	0.471	S	S	*	.	H	α-helix	trans	-64.2	-46.7	178.1	-176.3	-102.2	0	0	0	112.5	L62 K64 H68 I69 N70	L62-Y66 WeakPolarHBondContact O-CB 3.06Å; L62-Y66 PolarHBondContact O-N 2.94Å; K64-Y66 VanDerWaalsContact C-N 3.33Å; K64-Y66 PolarHBondContact O-N 3.36Å; Y66-H68 PolarHBondContact O-N 2.9Å; Y66-I69 PolarHBondContact O-N 2.89Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.41Å; Y66-N70 WeakPolarHBondContact O-CB 3.19Å; Y66-N70 PolarHBondContact O-N 2.95Å; Y66-N70 PolarHBondContact OH-ND2 2.96Å
67	K	83.9	Confident	82.2	Confident	145 Å²	145	100 Å²	100	63%	0.63	48%	0.478	S	S	*	.	H	α-helix	trans	-57.8	-47.7	175	-77.6	-178.7	176.9	-173.1	0	111.7	I63 K64 N70 E71	I63-K67 HydrophobicContact CG2-CD 4.46Å; I63-K67 WeakPolarHBondContact O-CB 3.49Å; I63-K67 WeakPolarHBondContact O-CG 3.41Å; I63-K67 PolarHBondContact O-N 2.66Å; K64-K67 PolarHBondContact O-N 2.79Å; K67-N70 PolarHBondContact O-N 2.87Å; K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.34Å; K67-E71 PolarHBondContact O-N 2.87Å
68	H	83.8	Confident	82.1	Confident	110 Å²	110	102 Å²	102	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-40.2	179.4	-177.2	63.6	0	0	0	112.9	K64 T65 Y66 E71 V72	K64-H68 WeakPolarHBondContact O-CB 3.36Å; K64-H68 PolarHBondContact O-N 2.88Å; T65-H68 PolarHBondContact O-N 3.37Å; Y66-H68 PolarHBondContact O-N 2.9Å; H68-E71 IonicContact ND1-OE2 3.94Å; H68-E71 PolarHBondContact O-N 3.47Å; H68-V72 WeakPolarHBondContact O-CB 3.48Å; H68-V72 VanDerWaalsContact O-CG2 3.29Å; H68-V72 WeakPolarHBondContact O-CG2 3.17Å; H68-V72 PolarHBondContact O-N 3.21Å
69	I	82.8	Confident	82	Confident	101 Å²	101	103.4 Å²	103.4	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-63.2	-44.6	175.1	-72.5	169.6	0	0	0	110.7	T65 Y66 Y73	T65-I69 HydrophobicContact CG2-CD1 3.77Å; T65-I69 WeakPolarHBondContact O-CB 3.37Å; T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.43Å; T65-I69 PolarHBondContact O-N 3.45Å; Y66-I69 PolarHBondContact O-N 2.89Å; I69-Y73 WeakPolarHBondContact O-CB 3.44Å; I69-Y73 PolarHBondContact O-N 2.67Å
70	N	79.8	Confident	81.4	Confident	47 Å²	47	109 Å²	109	25%	0.251	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-45.2	175.3	-83.7	-5.1	0	0	0	111.7	Y66 K67 Y73 Y74	Y66-N70 WeakPolarHBondContact CE1-ND2 3.41Å; Y66-N70 WeakPolarHBondContact O-CB 3.19Å; Y66-N70 PolarHBondContact O-N 2.95Å; Y66-N70 PolarHBondContact OH-ND2 2.96Å; K67-N70 PolarHBondContact O-N 2.87Å; N70-Y73 WeakPolarHBondContact O-CB 3.42Å; N70-Y73 PolarHBondContact O-N 2.72Å; N70-Y74 HydrophobicContact CB-CD2 4.32Å; N70-Y74 HydrophobicContact CB-CE2 4.3Å; N70-Y74 WeakPolarHBondContact O-CB 3.36Å; N70-Y74 WeakPolarHBondContact O-CD2 3.25Å; N70-Y74 PolarHBondContact O-N 2.85Å
71	E	87.1	Confident	80.4	Confident	131 Å²	131	109.6 Å²	109.6	61%	0.612	50%	0.495	S	S	*	.	H	α-helix	trans	-59.2	-48.8	177	-179.2	177.2	-137.8	0	0	111.7	K67 H68 Y73 Y74 A75	K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.34Å; K67-E71 PolarHBondContact O-N 2.87Å; H68-E71 IonicContact ND1-OE2 3.94Å; H68-E71 PolarHBondContact O-N 3.47Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 2.88Å; E71-Y74 PolarHBondContact O-N 3.35Å; E71-A75 WeakPolarHBondContact O-CB 3.43Å; E71-A75 PolarHBondContact O-N 2.81Å
72	V	85.4	Confident	79.3	Confident	66 Å²	66	114.8 Å²	114.8	40%	0.4	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.2	170	0	0	0	0	111.3	H68 K76	H68-V72 WeakPolarHBondContact O-CB 3.48Å; H68-V72 VanDerWaalsContact O-CG2 3.29Å; H68-V72 WeakPolarHBondContact O-CG2 3.17Å; H68-V72 PolarHBondContact O-N 3.21Å; V72-K76 WeakPolarHBondContact O-CB 3.36Å; V72-K76 PolarHBondContact O-N 3.2Å
73	Y	81.1	Confident	77.9	Confident	135 Å²	135	118.7 Å²	118.7	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-50.2	176.2	173.9	-100.8	0	0	0	111.8	I69 N70 E71 K76 K77	I69-Y73 WeakPolarHBondContact O-CB 3.44Å; I69-Y73 PolarHBondContact O-N 2.67Å; N70-Y73 WeakPolarHBondContact O-CB 3.42Å; N70-Y73 PolarHBondContact O-N 2.72Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 2.88Å; Y73-K76 PolarHBondContact O-N 3.16Å; Y73-K77 WeakPolarHBondContact O-CB 3.42Å; Y73-K77 PolarHBondContact O-N 3.43Å
74	Y	77.7	Confident	76.5	Confident	134 Å²	134	115.5 Å²	115.5	53%	0.525	53%	0.533	S	S	.	.	H	α-helix	trans	-70.1	-35.6	179.3	-72.4	-62.6	0	0	0	112.5	N70 E71 K76 K77 K78	N70-Y74 HydrophobicContact CB-CD2 4.32Å; N70-Y74 HydrophobicContact CB-CE2 4.3Å; N70-Y74 WeakPolarHBondContact O-CB 3.36Å; N70-Y74 WeakPolarHBondContact O-CD2 3.25Å; N70-Y74 PolarHBondContact O-N 2.85Å; E71-Y74 PolarHBondContact O-N 3.35Å; Y74-K76 VanDerWaalsContact C-N 3.32Å; Y74-K76 PolarHBondContact O-N 3Å; Y74-K77 HydrophobicContact CD1-CD 4.3Å; Y74-K77 PolarHBondContact O-N 3.46Å; Y74-K78 WeakPolarHBondContact O-CB 3.45Å; Y74-K78 PolarHBondContact O-N 2.9Å
75	A	78.1	Confident	74.7	Confident	40 Å²	40	117.2 Å²	117.2	33%	0.331	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-31.1	171.7	0	0	0	0	0	112.7	E71 R79	E71-A75 WeakPolarHBondContact O-CB 3.43Å; E71-A75 PolarHBondContact O-N 2.81Å; A75-R79 WeakPolarHBondContact O-CB 3.3Å; A75-R79 WeakPolarHBondContact O-CG 3.48Å; A75-R79 PolarHBondContact O-N 3.36Å; A75-R79 VanDerWaalsContact O-N 3.11Å; A75-R79 PolarHBondContact O-NE 2.93Å
76	K	81.9	Confident	73.1	Confident	118 Å²	118	119.1 Å²	119.1	51%	0.513	57%	0.568	S	S	.	*	H	α-helix	trans	-77.1	-34.7	172.8	-166.9	170.5	-174	173.8	0	111.8	V72 Y73 Y74 R80	V72-K76 WeakPolarHBondContact O-CB 3.36Å; V72-K76 PolarHBondContact O-N 3.2Å; Y73-K76 PolarHBondContact O-N 3.16Å; Y74-K76 VanDerWaalsContact C-N 3.32Å; Y74-K76 PolarHBondContact O-N 3Å; K76-R80 WeakPolarHBondContact O-CB 3.38Å; K76-R80 WeakPolarHBondContact O-CG 3.35Å; K76-R80 PolarHBondContact O-N 3.49Å
77	K	82.1	Confident	71.6	Confident	113 Å²	113	121.3 Å²	121.3	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-65.4	-45.3	171.4	-170.7	178.5	179.3	-177.5	0	111.3	Y73 Y74 R80 H81	Y73-K77 WeakPolarHBondContact O-CB 3.42Å; Y73-K77 PolarHBondContact O-N 3.43Å; Y74-K77 HydrophobicContact CD1-CD 4.3Å; Y74-K77 PolarHBondContact O-N 3.46Å; K77-R80 PolarHBondContact O-N 2.8Å; K77-H81 PolarHBondContact O-N 2.74Å
78	K	77.7	Confident	69.5	Low	136 Å²	136	121.3 Å²	121.3	59%	0.591	59%	0.59	S	S	*	*	H	α-helix	trans	-62.4	-47.3	176.1	-169.3	175.8	-179.2	178.8	0	111.6	Y74 R80 H81 Q82	Y74-K78 WeakPolarHBondContact O-CB 3.45Å; Y74-K78 PolarHBondContact O-N 2.9Å; K78-R80 VanDerWaalsContact C-N 3.33Å; K78-R80 PolarHBondContact O-N 2.74Å; K78-H81 WeakPolarHBondContact O-CB 3.22Å; K78-H81 PolarHBondContact O-N 2.8Å; K78-Q82 WeakPolarHBondContact O-CG 3.16Å; K78-Q82 PolarHBondContact O-N 3.2Å
79	R	73.8	Confident	67.8	Low	150 Å²	150	122.4 Å²	122.4	57%	0.566	61%	0.61	S	S	*	*	H	α-helix	trans	-58.3	-40.8	173	-81.7	-177.5	-78.2	180	-9.1	113.1	A75 H81 Q82 Q83	A75-R79 WeakPolarHBondContact O-CB 3.3Å; A75-R79 WeakPolarHBondContact O-CG 3.48Å; A75-R79 PolarHBondContact O-N 3.36Å; A75-R79 VanDerWaalsContact O-N 3.11Å; A75-R79 PolarHBondContact O-NE 2.93Å; R79-H81 VanDerWaalsContact C-N 3.32Å; R79-H81 PolarHBondContact O-N 3.44Å; R79-Q82 PolarHBondContact O-N 3.41Å; R79-Q83 WeakPolarHBondContact O-CB 3.42Å; R79-Q83 WeakPolarHBondContact O-CG 3.43Å; R79-Q83 PolarHBondContact O-N 3.42Å
80	R	69.9	Low	66.1	Low	183 Å²	183	121.6 Å²	121.6	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-67.1	-26.9	174	-78.5	177.5	168.8	-168.1	-5.9	114.3	K76 K77 K78	K76-R80 WeakPolarHBondContact O-CB 3.38Å; K76-R80 WeakPolarHBondContact O-CG 3.35Å; K76-R80 PolarHBondContact O-N 3.49Å; K77-R80 PolarHBondContact O-N 2.8Å; K78-R80 VanDerWaalsContact C-N 3.33Å; K78-R80 PolarHBondContact O-N 2.74Å
81	H	63.8	Low	64.4	Low	145 Å²	145	127.8 Å²	127.8	67%	0.671	64%	0.64	S	S	*	*	H	α-helix	trans	-75.8	-40.5	171.4	-113.8	43.2	0	0	0	111.6	K77 K78 R79 G84	K77-H81 PolarHBondContact O-N 2.74Å; K78-H81 WeakPolarHBondContact O-CB 3.22Å; K78-H81 PolarHBondContact O-N 2.8Å; R79-H81 VanDerWaalsContact C-N 3.32Å; R79-H81 PolarHBondContact O-N 3.44Å; H81-G84 PolarHBondContact O-N 3.27Å; H81-G84 VanDerWaalsContact O-N 3.08Å
82	Q	60.2	Low	62.6	Low	124 Å²	124	131 Å²	131	58%	0.579	65%	0.653	S	S	*	*	H	α-helix	trans	-71.9	-36.3	179.5	-69	175.3	-54.5	0	0	112.2	K78 R79 G84 Q85	K78-Q82 WeakPolarHBondContact O-CG 3.16Å; K78-Q82 PolarHBondContact O-N 3.2Å; R79-Q82 PolarHBondContact O-N 3.41Å; Q82-G84 PolarHBondContact O-N 3.13Å; Q82-G84 VanDerWaalsContact O-N 3.15Å; Q82-Q85 PolarHBondContact O-N 3.05Å
83	Q	56.3	Low	60.9	Low	172 Å²	172	137.3 Å²	137.3	80%	0.804	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	8.9	167.4	-68	-175.6	-56.2	0	0	113.7	R79	R79-Q83 WeakPolarHBondContact O-CB 3.42Å; R79-Q83 WeakPolarHBondContact O-CG 3.43Å; R79-Q83 PolarHBondContact O-N 3.42Å
84	G	51.8	Low	59.8	Low	59 Å²	59	139.4 Å²	139.4	61%	0.608	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-0.8	174.8	0	0	0	0	0	114.3	H81 Q82	H81-G84 PolarHBondContact O-N 3.27Å; H81-G84 VanDerWaalsContact O-N 3.08Å; Q82-G84 PolarHBondContact O-N 3.13Å; Q82-G84 VanDerWaalsContact O-N 3.15Å
85	Q	49.6	Very low	59.1	Low	178 Å²	178	144.2 Å²	144.2	83%	0.832	71%	0.706	S	S	*	*	S	Bend	trans	-140.8	90.4	-177.5	-66.4	-175.4	7	0	0	110.6	Q82	Q82-Q85 PolarHBondContact O-N 3.05Å
86	G	50.8	Low	59.4	Low	67 Å²	67	149.6 Å²	149.6	69%	0.691	72%	0.722	S	S	*	*	S	Bend	trans	141.6	101.3	177.1	0	0	0	0	0	111.5
87	E	45.9	Very low	59.6	Low	194 Å²	194	149 Å²	149	91%	0.907	73%	0.728	S	S	*	*	S	Bend	trans	58.1	122.7	164.9	-59	170.1	160.2	0	0	115.9
88	D	40.2	Very low	60.2	Low	144 Å²	144	146.5 Å²	146.5	77%	0.77	72%	0.717	S	S	*	*			cis	-122	153.5	19.4	-85.6	-53.6	0	0	0	115
89	S	48.2	Very low	61	Low	134 Å²	134	141.4 Å²	141.4	94%	0.937	70%	0.697	S	S	*	*			trans	-97.7	39.9	177.8	56.8	0	0	0	0	114.5
90	S	47.4	Very low	62.1	Low	83 Å²	83	140.9 Å²	140.9	58%	0.58	71%	0.705	S	S	*	*	S	Bend	trans	-120.7	-28.6	-174.9	56.3	0	0	0	0	115.4
91	H	43.4	Very low	63.3	Low	177 Å²	177	134 Å²	134	82%	0.819	69%	0.692	S	S	*	*			trans	-128.6	59.3	-179.3	-70	-23.4	0	0	0	113.1	K93	H91-K93 VanDerWaalsContact C-N 3.31Å; H91-K93 PolarHBondContact O-N 3.27Å
92	K	48.4	Very low	64.9	Low	200 Å²	200	130.6 Å²	130.6	87%	0.87	67%	0.673	S	S	*	*			trans	-58.5	101.9	149.8	-90.7	-177	178.8	171.9	0	107.3	E94	K92-E94 PolarHBondContact O-N 3.05Å
93	K	51.7	Low	66.7	Low	198 Å²	198	125.1 Å²	125.1	86%	0.861	65%	0.648	S	S	*	*			trans	-59.4	103	168.3	-168	177.5	-169.6	177.9	0	107	H91 R95	H91-K93 VanDerWaalsContact C-N 3.31Å; H91-K93 PolarHBondContact O-N 3.27Å; K93-R95 PolarHBondContact O-N 2.72Å
94	E	57.1	Low	68.5	Low	179 Å²	179	119.1 Å²	119.1	84%	0.836	62%	0.621	S	S	*	*			trans	-52	127.4	-175.5	-67.1	-172.2	129.9	0	0	109	K92 K96	K92-E94 PolarHBondContact O-N 3.05Å; E94-K96 PolarHBondContact O-N 3.21Å
95	R	63.9	Low	70.6	Confident	234 Å²	234	122.4 Å²	122.4	88%	0.883	63%	0.625	S	S	*	*			trans	-71.2	89.5	173.7	-69.7	-175.7	71.4	176.9	1.4	106	K93 V97	K93-R95 PolarHBondContact O-N 2.72Å; R95-V97 PolarHBondContact O-N 3.23Å
96	K	83.1	Confident	72.8	Confident	154 Å²	154	117.9 Å²	117.9	67%	0.67	61%	0.606	S	S	*	*			trans	-42.8	113.9	-177.5	-179.3	172.4	-178.9	178.9	0	108.7	E94 F98	E94-K96 PolarHBondContact O-N 3.21Å; K96-F98 HydrophobicContact CB-CE2 4.02Å; K96-F98 HydrophobicContact CB-CZ 4.22Å; K96-F98 HydrophobicContact CD-CE1 3.96Å; K96-F98 HydrophobicContact CD-CE2 4.32Å; K96-F98 HydrophobicContact CD-CZ 3.68Å; K96-F98 HydrophobicContact CG-CE1 4.26Å; K96-F98 HydrophobicContact CG-CE2 4.04Å; K96-F98 HydrophobicContact CG-CZ 3.89Å; K96-F98 WeakPolarHBondContact O-CD2 3.49Å; K96-F98 VanDerWaalsContact O-CE2 3.25Å; K96-F98 WeakPolarHBondContact O-CE2 3.38Å; K96-F98 PolarHBondContact O-N 3.05Å
97	V	86.9	Confident	75	Confident	105 Å²	105	118.9 Å²	118.9	64%	0.636	59%	0.59	S	S	*	*			trans	-77.1	120	-176.7	-178	0	0	0	0	107.2	R95	R95-V97 PolarHBondContact O-N 3.23Å
98	F	93.3	Very high	77.5	Confident	60 Å²	60	109.7 Å²	109.7	26%	0.263	55%	0.547	S	S	.	.	B	Isolated β-bridge	trans	-103.6	129.5	174	-61.2	-88.5	0	0	0	108	K96 D100 G101 Y102 D103 D105	K96-F98 HydrophobicContact CB-CE2 4.02Å; K96-F98 HydrophobicContact CB-CZ 4.22Å; K96-F98 HydrophobicContact CD-CE1 3.96Å; K96-F98 HydrophobicContact CD-CE2 4.32Å; K96-F98 HydrophobicContact CD-CZ 3.68Å; K96-F98 HydrophobicContact CG-CE1 4.26Å; K96-F98 HydrophobicContact CG-CE2 4.04Å; K96-F98 HydrophobicContact CG-CZ 3.89Å; K96-F98 WeakPolarHBondContact O-CD2 3.49Å; K96-F98 VanDerWaalsContact O-CE2 3.25Å; K96-F98 WeakPolarHBondContact O-CE2 3.38Å; K96-F98 PolarHBondContact O-N 3.05Å; F98-D100 PolarHBondContact O-N 3.22Å; F98-G101 PolarHBondContact O-N 3.09Å; F98-Y102 PolarHBondContact O-N 2.86Å; F98-D103 HydrophobicContact CB-CB 3.88Å; F98-D103 PolarHBondContact O-N 3.22Å; F98-D105 HydrophobicContact CD2-CB 4.36Å; F98-D105 HydrophobicContact CE2-CB 3.62Å; F98-D105 HydrophobicContact CZ-CB 3.82Å
99	N	95.4	Very high	80.2	Confident	30 Å²	30	103 Å²	103	16%	0.16	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	47.2	56.7	177.8	-164.5	37.3	0	0	0	112.3	G101 Y102 D103 N154 R193 N194	N99-G101 PolarHBondContact O-N 3.4Å; N99-Y102 WeakPolarHBondContact O-CB 3.21Å; N99-Y102 WeakPolarHBondContact O-CD2 3.47Å; N99-Y102 PolarHBondContact O-N 2.8Å; N99-D103 HydrophobicContact CB-CB 3.87Å; N99-D103 VanDerWaalsContact CB-OD1 3.3Å; N99-D103 WeakPolarHBondContact CB-OD1 3.18Å; N99-D103 VanDerWaalsContact CB-OD2 3.22Å; N99-D103 WeakPolarHBondContact CB-OD2 3.32Å; N99-D103 PolarHBondContact ND2-OD1 2.76Å; N99-D103 PolarHBondContact ND2-OD2 3.31Å; N99-N154 PolarHBondContact ND2-ND2 3.42Å; N99-R193 PolarHBondContact ND2-O 3.14Å; N99-N194 PolarHBondContact OD1-ND2 2.98Å
100	D	96	Very high	82.6	Confident	139 Å²	139	100.2 Å²	100.2	74%	0.743	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	55.2	18.4	-178.8	-50.8	-37.2	0	0	0	115.9	F98 Y102	F98-D100 PolarHBondContact O-N 3.22Å; D100-Y102 HydrophobicContact CB-CD2 4.31Å; D100-Y102 HydrophobicContact CB-CE2 4.26Å
101	G	95.8	Very high	85	Confident	39 Å²	39	97.8 Å²	97.8	40%	0.402	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	94.1	11.6	-179.1	0	0	0	0	0	113.9	F98 N99	F98-G101 PolarHBondContact O-N 3.09Å; N99-G101 PolarHBondContact O-N 3.4Å
102	Y	97.2	Very high	87.5	Confident	73 Å²	73	93.5 Å²	93.5	29%	0.286	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-20.8	173	-61.4	-57.4	0	0	0	113.7	F98 N99 D100 Y109 I110 R193	F98-Y102 PolarHBondContact O-N 2.86Å; N99-Y102 WeakPolarHBondContact O-CB 3.21Å; N99-Y102 WeakPolarHBondContact O-CD2 3.47Å; N99-Y102 PolarHBondContact O-N 2.8Å; D100-Y102 HydrophobicContact CB-CD2 4.31Å; D100-Y102 HydrophobicContact CB-CE2 4.26Å; Y102-Y109 HydrophobicContact CD1-CE2 4.43Å; Y102-Y109 HydrophobicContact CG-CE2 4.45Å; Y102-I110 WeakPolarHBondContact O-CB 3.49Å; Y102-I110 WeakPolarHBondContact O-CG1 3.49Å; Y102-I110 PolarHBondContact O-N 3.45Å; Y102-R193 HydrophobicContact CD2-CB 4.29Å; Y102-R193 HydrophobicContact CD2-CG 4.18Å; Y102-R193 HydrophobicContact CE2-CG 4.24Å; Y102-R193 HydrophobicContact CG-CG 4.49Å
103	D	97.8	Very high	89.8	Confident	9 Å²	9	89.5 Å²	89.5	5%	0.048	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-113.7	152.5	-172.5	-63.9	15.1	0	0	0	112.7	F98 N99 D108 I110 N154 H195	F98-D103 HydrophobicContact CB-CB 3.88Å; F98-D103 PolarHBondContact O-N 3.22Å; N99-D103 HydrophobicContact CB-CB 3.87Å; N99-D103 VanDerWaalsContact CB-OD1 3.3Å; N99-D103 WeakPolarHBondContact CB-OD1 3.18Å; N99-D103 VanDerWaalsContact CB-OD2 3.22Å; N99-D103 WeakPolarHBondContact CB-OD2 3.32Å; N99-D103 PolarHBondContact ND2-OD1 2.76Å; N99-D103 PolarHBondContact ND2-OD2 3.31Å; D103-D108 WeakPolarHBondContact CA-O 3.34Å; D103-I110 WeakPolarHBondContact O-CD1 3.45Å; D103-N154 WeakPolarHBondContact OD2-CB 3.3Å; D103-N154 PolarHBondContact OD2-ND2 2.91Å; D103-H195 IonicContact OD1-CD2 3.92Å; D103-H195 IonicContact OD1-CE1 3.02Å; D103-H195 IonicContact OD1-NE2 3.72Å; D103-H195 PolarHBondContact OD1-NE2 2.76Å; D103-H195 IonicContact OD2-NE2 3.64Å
104	D	95.5	Very high	92	Very high	45 Å²	45	82.5 Å²	82.5	24%	0.241	42%	0.418	C	S	.	.			trans	-83	174.3	163.7	74.6	11	0	0	0	112.6	N106 Y107 D108 I110 K129	D104-N106 PolarHBondContact O-N 2.87Å; D104-N106 VanDerWaalsContact O-N 3.16Å; D104-N106 VanDerWaalsContact OD1-C 3.23Å; D104-N106 VanDerWaalsContact OD1-CA 3.24Å; D104-N106 WeakPolarHBondContact OD1-CA 3.26Å; D104-N106 VanDerWaalsContact OD1-CB 3.26Å; D104-N106 WeakPolarHBondContact OD1-CB 3.24Å; D104-N106 PolarHBondContact OD1-N 3.02Å; D104-Y107 PolarHBondContact O-N 3.14Å; D104-Y107 PolarHBondContact OD1-N 2.73Å; D104-Y107 VanDerWaalsContact OD1-N 3.14Å; D104-D108 PolarHBondContact N-O 2.9Å; D104-D108 WeakPolarHBondContact OD1-CB 3.2Å; D104-D108 PolarHBondContact OD1-N 2.8Å; D104-I110 HydrophobicContact CB-CG1 4.48Å; D104-K129 IonicContact OD2-NZ 3.97Å
105	D	95.5	Very high	93.9	Very high	128 Å²	128	75.4 Å²	75.4	68%	0.684	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-3.4	178	61.2	-26.2	0	0	0	113.8	F98	F98-D105 HydrophobicContact CD2-CB 4.36Å; F98-D105 HydrophobicContact CE2-CB 3.62Å; F98-D105 HydrophobicContact CZ-CB 3.82Å
106	N	95.4	Very high	95.5	Very high	83 Å²	83	69.5 Å²	69.5	44%	0.444	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	10.9	175.9	-169.5	44.4	0	0	0	112.3	D104 D108 K153	D104-N106 PolarHBondContact O-N 2.87Å; D104-N106 VanDerWaalsContact O-N 3.16Å; D104-N106 VanDerWaalsContact OD1-C 3.23Å; D104-N106 VanDerWaalsContact OD1-CA 3.24Å; D104-N106 WeakPolarHBondContact OD1-CA 3.26Å; D104-N106 VanDerWaalsContact OD1-CB 3.26Å; D104-N106 WeakPolarHBondContact OD1-CB 3.24Å; D104-N106 PolarHBondContact OD1-N 3.02Å; N106-D108 PolarHBondContact ND2-OD2 3.42Å; N106-D108 PolarHBondContact O-N 3.45Å; N106-K153 PolarHBondContact ND2-NZ 2.91Å; N106-K153 PolarHBondContact O-NZ 3.33Å
107	Y	97	Very high	96.3	Very high	89 Å²	89	62.2 Å²	62.2	35%	0.349	33%	0.334	S	S	.	.	S	Bend	trans	63.4	18.1	-177.6	-40.7	-89.4	0	0	0	114.3	D104 K153 N154 K155	D104-Y107 PolarHBondContact O-N 3.14Å; D104-Y107 PolarHBondContact OD1-N 2.73Å; D104-Y107 VanDerWaalsContact OD1-N 3.14Å; Y107-K153 VanDerWaalsContact O-CA 3.24Å; Y107-K153 WeakPolarHBondContact O-CA 3.47Å; Y107-K153 WeakPolarHBondContact O-CB 3.24Å; Y107-N154 WeakPolarHBondContact CD1-O 3.47Å; Y107-N154 PolarHBondContact O-N 3.4Å; Y107-K155 HydrophobicContact CD1-CB 4.43Å; Y107-K155 HydrophobicContact CD2-CD 3.96Å; Y107-K155 HydrophobicContact CE1-CD 4.4Å; Y107-K155 HydrophobicContact CE2-CD 3.81Å; Y107-K155 HydrophobicContact CG-CB 4.34Å; Y107-K155 HydrophobicContact CG-CD 4.34Å
108	D	97.8	Very high	96.7	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.327	C	S	.	.			trans	-88.3	142.8	171.1	-67.1	-53.3	0	0	0	111	D103 D104 N106 K129 K153	D103-D108 WeakPolarHBondContact CA-O 3.34Å; D104-D108 PolarHBondContact N-O 2.9Å; D104-D108 WeakPolarHBondContact OD1-CB 3.2Å; D104-D108 PolarHBondContact OD1-N 2.8Å; N106-D108 PolarHBondContact ND2-OD2 3.42Å; N106-D108 PolarHBondContact O-N 3.45Å; D108-K129 VanDerWaalsContact CG-NZ 3.28Å; D108-K129 WeakPolarHBondContact OD2-CE 3.47Å; D108-K129 IonicContact OD2-NZ 3.8Å; D108-K129 PolarHBondContact OD2-NZ 2.96Å; D108-K153 WeakPolarHBondContact OD1-CE 3.23Å; D108-K153 WeakPolarHBondContact OD1-CG 3.33Å; D108-K153 IonicContact OD1-NZ 2.66Å; D108-K153 PolarHBondContact OD1-NZ 3.48Å; D108-K153 IonicContact OD2-NZ 3.69Å; D108-K153 PolarHBondContact OD2-NZ 3.48Å
109	Y	98.1	Very high	96.9	Very high	4 Å²	4	66 Å²	66	2%	0.016	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-64.4	136	171.5	-174.3	-99.5	0	0	0	111.7	Y102 V111 E115 W117 Q134 I151 F192 R193 H195	Y102-Y109 HydrophobicContact CD1-CE2 4.43Å; Y102-Y109 HydrophobicContact CG-CE2 4.45Å; Y109-V111 HydrophobicContact CD1-CG2 4.13Å; Y109-V111 PolarHBondContact O-N 3.16Å; Y109-E115 PolarHBondContact OH-OE1 2.79Å; Y109-E115 PolarHBondContact OH-OE2 2.98Å; Y109-W117 AromaticContact CD1-CZ2 3.98Å; Y109-W117 HydrophobicContact CD1-CZ2 3.98Å; Y109-W117 HydrophobicContact CE1-CH2 4.49Å; Y109-W117 AromaticContact CE1-CZ2 3.56Å; Y109-W117 HydrophobicContact CE1-CZ2 3.56Å; Y109-W117 AromaticContact CZ-CZ2 3.91Å; Y109-Q134 PolarHBondContact O-NE2 2.92Å; Y109-I151 HydrophobicContact CD1-CD1 4.48Å; Y109-F192 HydrophobicContact CE2-CE1 4.5Å; Y109-R193 HydrophobicContact CE2-CB 4.49Å; Y109-R193 PolarHBondContact OH-NH1 3.38Å; Y109-H195 AromaticContact CD2-CD2 3.68Å; Y109-H195 AromaticContact CD2-NE2 3.71Å; Y109-H195 PolarHBondContact N-CE1 3.32Å
110	I	97.6	Very high	97	Very high	75 Å²	75	67 Å²	67	39%	0.385	35%	0.353	S	S	.	.			trans	-78.3	87.3	174.5	-58.4	173.3	0	0	0	109	Y102 D103 D104	Y102-I110 WeakPolarHBondContact O-CB 3.49Å; Y102-I110 WeakPolarHBondContact O-CG1 3.49Å; Y102-I110 PolarHBondContact O-N 3.45Å; D103-I110 WeakPolarHBondContact O-CD1 3.45Å; D104-I110 HydrophobicContact CB-CG1 4.48Å
111	V	97.3	Very high	97.2	Very high	32 Å²	32	60.6 Å²	60.6	19%	0.194	32%	0.318	C	S	.	.			trans	-57.1	134.7	179	176.6	0	0	0	0	111.3	Y109 I123 L126 V136 I151	Y109-V111 HydrophobicContact CD1-CG2 4.13Å; Y109-V111 PolarHBondContact O-N 3.16Å; V111-I123 HydrophobicContact CG1-CG2 4.03Å; V111-L126 HydrophobicContact CG2-CD1 4.43Å; V111-V136 HydrophobicContact CB-CG1 4.5Å; V111-V136 HydrophobicContact CG1-CG1 3.81Å; V111-V136 HydrophobicContact CG2-CG1 3.78Å; V111-I151 HydrophobicContact CG2-CD1 4.19Å
112	K	97.1	Very high	97.3	Very high	86 Å²	86	61.2 Å²	61.2	37%	0.374	31%	0.31	S	S	.	.			trans	-129.3	119.6	178.3	-66.5	163.1	-164.9	165.3	0	109.4	E115	K112-E115 HydrophobicContact CB-CB 4.01Å; K112-E115 VanDerWaalsContact O-CB 3.3Å; K112-E115 WeakPolarHBondContact O-CB 3.3Å; K112-E115 PolarHBondContact O-N 2.78Å
113	N	97.5	Very high	97.4	Very high	117 Å²	117	57.8 Å²	57.8	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	138.7	174.7	-49.9	67.1	0	0	0	109.9	E115 I123 D124	N113-E115 VanDerWaalsContact C-N 3.26Å; N113-E115 PolarHBondContact O-N 2.87Å; N113-I123 CarbonylContact C-O 3.55Å; N113-D124 PolarHBondContact ND2-O 2.61Å
114	G	96.8	Very high	97.4	Very high	51 Å²	51	60.2 Å²	60.2	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	0.3	-174.3	0	0	0	0	0	115.1	I123	G114-I123 PolarHBondContact N-O 2.97Å
115	E	97.8	Very high	97.5	Very high	30 Å²	30	59.7 Å²	59.7	14%	0.14	31%	0.31	C	S	.	.			trans	-70	137.5	175.7	-166.6	176.5	-135.4	0	0	110.8	Y109 K112 N113 W117 I123 R193	Y109-E115 PolarHBondContact OH-OE1 2.79Å; Y109-E115 PolarHBondContact OH-OE2 2.98Å; K112-E115 HydrophobicContact CB-CB 4.01Å; K112-E115 VanDerWaalsContact O-CB 3.3Å; K112-E115 WeakPolarHBondContact O-CB 3.3Å; K112-E115 PolarHBondContact O-N 2.78Å; N113-E115 VanDerWaalsContact C-N 3.26Å; N113-E115 PolarHBondContact O-N 2.87Å; E115-W117 PolarHBondContact OE2-NE1 2.9Å; E115-I123 PolarHBondContact O-N 3.32Å; E115-R193 IonicContact OE1-CZ 2.74Å; E115-R193 IonicContact OE1-NH1 3.69Å; E115-R193 PolarHBondContact OE1-NH1 2.9Å; E115-R193 IonicContact OE1-NH2 3.8Å; E115-R193 IonicContact OE2-NH1 2.72Å
116	K	97.9	Very high	97.6	Very high	109 Å²	109	57.6 Å²	57.6	47%	0.474	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129	177.6	-66.5	175.6	-176.3	171.3	0	110.2	Y121 E122	K116-Y121 CarbonylContact C-O 3.53Å; K116-Y121 WeakPolarHBondContact CA-O 3.33Å; K116-E122 VanDerWaalsContact CE-OE1 3.28Å; K116-E122 WeakPolarHBondContact CE-OE1 3.33Å; K116-E122 HydrophobicContact CG-CB 4.48Å; K116-E122 HydrophobicContact CG-CG 4.32Å
117	W	98.1	Very high	97.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.5	-179.6	-65.2	5.4	0	0	0	110	Y109 E115 D119 R120 Y121 I123 I149 I151 F190 F192	Y109-W117 AromaticContact CD1-CZ2 3.98Å; Y109-W117 HydrophobicContact CD1-CZ2 3.98Å; Y109-W117 HydrophobicContact CE1-CH2 4.49Å; Y109-W117 AromaticContact CE1-CZ2 3.56Å; Y109-W117 HydrophobicContact CE1-CZ2 3.56Å; Y109-W117 AromaticContact CZ-CZ2 3.91Å; E115-W117 PolarHBondContact OE2-NE1 2.9Å; W117-D119 PolarHBondContact O-N 3.21Å; W117-D119 VanDerWaalsContact O-N 3.14Å; W117-R120 PolarHBondContact O-N 3.26Å; W117-Y121 PolarHBondContact N-O 3.14Å; W117-Y121 PolarHBondContact O-N 2.82Å; W117-I123 HydrophobicContact CD2-CD1 4Å; W117-I123 HydrophobicContact CD2-CG1 4.24Å; W117-I123 HydrophobicContact CE3-CD1 4.28Å; W117-I123 HydrophobicContact CG-CD1 4.43Å; W117-I123 HydrophobicContact CG-CG1 4.44Å; W117-I123 HydrophobicContact CZ2-CD1 4.33Å; W117-I123 HydrophobicContact CZ2-CG1 4.31Å; W117-I149 HydrophobicContact CZ3-CG2 4.47Å; W117-I151 HydrophobicContact CH2-CD1 3.63Å; W117-I151 HydrophobicContact CH2-CG1 3.9Å; W117-I151 HydrophobicContact CZ2-CD1 4.31Å; W117-I151 HydrophobicContact CZ3-CG1 4.42Å; W117-F190 HydrophobicContact CE3-CE2 4.07Å; W117-F190 HydrophobicContact CE3-CZ 4.11Å; W117-F190 HydrophobicContact CZ3-CE2 4.35Å; W117-F190 HydrophobicContact CZ3-CZ 4.41Å; W117-F192 HydrophobicContact CB-CD2 4.49Å; W117-F192 HydrophobicContact CB-CE1 4.47Å; W117-F192 HydrophobicContact CB-CE2 4.07Å; W117-F192 HydrophobicContact CB-CZ 4.06Å; W117-F192 AromaticContact CD1-CE1 3.63Å; W117-F192 AromaticContact CD1-CZ 3.53Å; W117-F192 AromaticContact CD2-CD1 3.64Å; W117-F192 HydrophobicContact CD2-CD1 3.64Å; W117-F192 AromaticContact CD2-CE1 3.44Å; W117-F192 HydrophobicContact CD2-CE1 3.44Å; W117-F192 VanDerWaalsContact CD2-CE1 3.44Å; W117-F192 HydrophobicContact CD2-CG 4.26Å; W117-F192 AromaticContact CD2-CZ 3.92Å; W117-F192 HydrophobicContact CD2-CZ 3.92Å; W117-F192 AromaticContact CE2-CD1 3.78Å; W117-F192 AromaticContact CE2-CE1 3.34Å; W117-F192 AromaticContact CE3-CD1 3.73Å; W117-F192 HydrophobicContact CE3-CD1 3.73Å; W117-F192 HydrophobicContact CE3-CE1 4.06Å; W117-F192 HydrophobicContact CE3-CG 4.12Å; W117-F192 HydrophobicContact CG-CD1 4.18Å; W117-F192 AromaticContact CG-CE1 3.64Å; W117-F192 HydrophobicContact CG-CE1 3.64Å; W117-F192 HydrophobicContact CG-CE2 4.08Å; W117-F192 AromaticContact CG-CZ 3.58Å; W117-F192 HydrophobicContact CG-CZ 3.58Å; W117-F192 HydrophobicContact CH2-CD1 4.04Å; W117-F192 HydrophobicContact CH2-CE1 4.39Å; W117-F192 AromaticContact CZ2-CD1 3.99Å; W117-F192 HydrophobicContact CZ2-CD1 3.99Å; W117-F192 AromaticContact CZ2-CE1 3.86Å; W117-F192 HydrophobicContact CZ2-CE1 3.86Å; W117-F192 AromaticContact CZ3-CD1 3.94Å; W117-F192 HydrophobicContact CZ3-CD1 3.94Å; W117-F192 HydrophobicContact CZ3-CE1 4.49Å; W117-F192 AromaticContact NE1-CE1 3.47Å; W117-F192 AromaticContact NE1-CZ 3.86Å
118	M	97.1	Very high	97.4	Very high	101 Å²	101	54.6 Å²	54.6	50%	0.498	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.1	177.3	-49	176.6	-64.6	0	0	112.9	R120 Y121 F190 F192	M118-R120 PolarHBondContact O-N 2.76Å; M118-Y121 HydrophobicContact CE-CD2 3.89Å; M118-Y121 HydrophobicContact CE-CE2 3.74Å; M118-F190 HydrophobicContact CE-CD1 3.96Å; M118-F190 HydrophobicContact CE-CD2 3.5Å; M118-F190 HydrophobicContact CE-CE1 3.87Å; M118-F190 HydrophobicContact CE-CE2 3.42Å; M118-F190 VanDerWaalsContact CE-CE2 3.42Å; M118-F190 HydrophobicContact CE-CG 3.78Å; M118-F190 HydrophobicContact CE-CZ 3.61Å; M118-F190 HydrophobicContact SD-CD2 4.08Å; M118-F190 HydrophobicContact SD-CE2 4.36Å; M118-F192 HydrophobicContact CG-CD2 4.18Å; M118-F192 HydrophobicContact CG-CE2 4.45Å
119	D	96.4	Very high	97.2	Very high	144 Å²	144	59.8 Å²	59.8	77%	0.77	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	12.1	-171.4	-63.3	-55.1	0	0	0	116.5	W117	W117-D119 PolarHBondContact O-N 3.21Å; W117-D119 VanDerWaalsContact O-N 3.14Å
120	R	98.3	Very high	96.7	Very high	51 Å²	51	61.8 Å²	61.8	19%	0.192	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-51.7	-174.2	177	169	-178.4	148.6	7.8	113	W117 M118 D140 R141 V142 E143 R188	W117-R120 PolarHBondContact O-N 3.26Å; M118-R120 PolarHBondContact O-N 2.76Å; R120-D140 WeakPolarHBondContact CG-OD1 3.29Å; R120-D140 IonicContact CZ-OD1 3.14Å; R120-D140 IonicContact CZ-OD2 2.73Å; R120-D140 IonicContact NE-OD1 3.78Å; R120-D140 PolarHBondContact NE-OD1 3.03Å; R120-D140 IonicContact NE-OD2 3.03Å; R120-D140 PolarHBondContact NE-OD2 3.06Å; R120-D140 IonicContact NH2-OD1 2.77Å; R120-D140 PolarHBondContact NH2-OD1 3.14Å; R120-D140 IonicContact NH2-OD2 3.94Å; R120-D140 PolarHBondContact NH2-OD2 3Å; R120-R141 VanDerWaalsContact O-CB 3.24Å; R120-R141 WeakPolarHBondContact O-CB 3.28Å; R120-R141 WeakPolarHBondContact O-CG 3.43Å; R120-R141 PolarHBondContact O-N 2.76Å; R120-V142 HydrophobicContact CB-CG2 4.47Å; R120-V142 HydrophobicContact CG-CB 4.38Å; R120-V142 HydrophobicContact CG-CG2 3.86Å; R120-E143 IonicContact CZ-OE1 2.82Å; R120-E143 IonicContact NH1-OE1 2.82Å; R120-E143 VanDerWaalsContact NH2-CG 3.31Å; R120-E143 IonicContact NH2-OE1 2.78Å; R120-E143 PolarHBondContact NH2-OE1 2.66Å; R120-R188 VanDerWaalsContact NH2-NH1 3.18Å
121	Y	98.7	Very high	96.2	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.5	-175.4	-56.1	-76.1	0	0	0	110.8	K116 W117 M118 Y139 D140 V147 I149 R188 F190 V199	K116-Y121 CarbonylContact C-O 3.53Å; K116-Y121 WeakPolarHBondContact CA-O 3.33Å; W117-Y121 PolarHBondContact N-O 3.14Å; W117-Y121 PolarHBondContact O-N 2.82Å; M118-Y121 HydrophobicContact CE-CD2 3.89Å; M118-Y121 HydrophobicContact CE-CE2 3.74Å; Y121-Y139 WeakPolarHBondContact CA-O 3.28Å; Y121-D140 HydrophobicContact CD1-CB 4.05Å; Y121-D140 HydrophobicContact CE1-CB 3.9Å; Y121-D140 VanDerWaalsContact CE1-OD2 3.31Å; Y121-D140 WeakPolarHBondContact CE1-OD2 3.41Å; Y121-V147 HydrophobicContact CD1-CG2 4.15Å; Y121-V147 HydrophobicContact CE1-CG2 4.27Å; Y121-I149 HydrophobicContact CD1-CD1 3.81Å; Y121-I149 HydrophobicContact CD2-CD1 4.46Å; Y121-I149 HydrophobicContact CE1-CD1 4.41Å; Y121-I149 HydrophobicContact CG-CD1 3.84Å; Y121-R188 WeakPolarHBondContact OH-CD 3.11Å; Y121-R188 PolarHBondContact OH-NH1 3.4Å; Y121-F190 AromaticContact CD2-CE1 3.98Å; Y121-F190 HydrophobicContact CD2-CE1 3.98Å; Y121-F190 AromaticContact CD2-CZ 3.91Å; Y121-F190 HydrophobicContact CD2-CZ 3.91Å; Y121-F190 HydrophobicContact CE2-CD1 4.19Å; Y121-F190 AromaticContact CE2-CE1 3.39Å; Y121-F190 HydrophobicContact CE2-CE1 3.39Å; Y121-F190 AromaticContact CE2-CZ 3.8Å; Y121-F190 HydrophobicContact CE2-CZ 3.8Å; Y121-F190 AromaticContact CZ-CE1 3.93Å; Y121-V199 HydrophobicContact CE1-CG1 4.23Å; Y121-V199 HydrophobicContact CE1-CG2 4.32Å
122	E	98.5	Very high	95.8	Very high	52 Å²	52	61.3 Å²	61.3	24%	0.243	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.2	173.7	-174.6	160.3	-153.8	0	0	109.5	K116 D124 A138 Y139 R141	K116-E122 VanDerWaalsContact CE-OE1 3.28Å; K116-E122 WeakPolarHBondContact CE-OE1 3.33Å; K116-E122 HydrophobicContact CG-CB 4.48Å; K116-E122 HydrophobicContact CG-CG 4.32Å; E122-D124 PolarHBondContact O-N 3.31Å; E122-A138 CarbonylContact O-C 3.58Å; E122-A138 WeakPolarHBondContact O-CA 3.37Å; E122-A138 WeakPolarHBondContact O-CB 3.24Å; E122-Y139 PolarHBondContact N-O 2.63Å; E122-Y139 PolarHBondContact O-N 3.19Å; E122-R141 IonicContact OE1-NH2 2.76Å; E122-R141 IonicContact OE2-CZ 2.75Å; E122-R141 IonicContact OE2-NE 2.71Å; E122-R141 PolarHBondContact OE2-NE 3.49Å; E122-R141 IonicContact OE2-NH2 2.79Å; E122-R141 PolarHBondContact OE2-NH2 2.84Å
123	I	98.5	Very high	95.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.8	-172.5	-52.8	-51.2	0	0	0	109.8	V111 N113 G114 E115 W117 V136 A138 I149	V111-I123 HydrophobicContact CG1-CG2 4.03Å; N113-I123 CarbonylContact C-O 3.55Å; G114-I123 PolarHBondContact N-O 2.97Å; E115-I123 PolarHBondContact O-N 3.32Å; W117-I123 HydrophobicContact CD2-CD1 4Å; W117-I123 HydrophobicContact CD2-CG1 4.24Å; W117-I123 HydrophobicContact CE3-CD1 4.28Å; W117-I123 HydrophobicContact CG-CD1 4.43Å; W117-I123 HydrophobicContact CG-CG1 4.44Å; W117-I123 HydrophobicContact CZ2-CD1 4.33Å; W117-I123 HydrophobicContact CZ2-CG1 4.31Å; I123-V136 HydrophobicContact CD1-CG2 4.14Å; I123-V136 HydrophobicContact CG2-CB 4.18Å; I123-V136 HydrophobicContact CG2-CG1 4.36Å; I123-V136 HydrophobicContact CG2-CG2 4.27Å; I123-A138 HydrophobicContact CD1-CB 3.87Å; I123-I149 HydrophobicContact CD1-CD1 4.44Å
124	D	98.4	Very high	95.6	Very high	60 Å²	60	52.6 Å²	52.6	32%	0.321	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-50.4	-174.6	158.1	110	0	0	0	112.3	N113 E122 K137 W146	N113-D124 PolarHBondContact ND2-O 2.61Å; E122-D124 PolarHBondContact O-N 3.31Å; D124-K137 HydrophobicContact CB-CG 4.15Å; D124-K137 PolarHBondContact N-O 2.95Å; D124-K137 IonicContact OD1-NZ 2.68Å; D124-K137 PolarHBondContact OD1-NZ 2.68Å; D124-K137 VanDerWaalsContact OD2-CD 3.29Å; D124-K137 WeakPolarHBondContact OD2-CD 3.4Å; D124-K137 WeakPolarHBondContact OD2-CG 3.4Å; D124-K137 IonicContact OD2-NZ 2.65Å; D124-K137 PolarHBondContact OD2-NZ 3Å; D124-W146 HydrophobicContact CB-CH2 4.08Å; D124-W146 HydrophobicContact CB-CZ3 3.67Å
125	S	97.8	Very high	95.7	Very high	34 Å²	34	52.2 Å²	52.2	24%	0.238	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	154.9	-175.8	54.6	0	0	0	0	113.4	V136 K137	S125-V136 CarbonylContact O-C 3.5Å; S125-V136 VanDerWaalsContact O-CA 3.23Å; S125-V136 WeakPolarHBondContact O-CA 3.41Å; S125-V136 WeakPolarHBondContact O-CB 3.42Å; S125-K137 PolarHBondContact N-O 2.91Å; S125-K137 PolarHBondContact O-N 3.06Å
126	L	97.2	Very high	95.7	Very high	83 Å²	83	50.8 Å²	50.8	44%	0.435	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.2	168	-177.8	72.5	0	0	0	109.1	V111 G128 Q134 V136	V111-L126 HydrophobicContact CG2-CD1 4.43Å; L126-G128 WeakPolarHBondContact CD1-O 3.47Å; L126-Q134 HydrophobicContact CD1-CB 3.76Å; L126-Q134 HydrophobicContact CD1-CG 4.04Å; L126-V136 HydrophobicContact CD1-CG1 4.05Å
127	I	95.4	Very high	95.7	Very high	83 Å²	83	47.9 Å²	47.9	43%	0.426	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-11.6	-178.1	61.7	172	0	0	0	113.7	V135 K137 A148 M202	I127-V135 HydrophobicContact CD1-CG1 4.03Å; I127-V135 HydrophobicContact CG1-CB 4.24Å; I127-V135 HydrophobicContact CG1-CG1 3.91Å; I127-V135 WeakPolarHBondContact CG1-O 3.38Å; I127-V135 PolarHBondContact N-O 2.77Å; I127-K137 HydrophobicContact CD1-CB 4.31Å; I127-K137 HydrophobicContact CG2-CB 3.75Å; I127-A148 HydrophobicContact CD1-CB 4.24Å; I127-M202 HydrophobicContact CD1-CE 4.15Å; I127-M202 HydrophobicContact CD1-SD 4.2Å
128	G	93.2	Very high	95.8	Very high	27 Å²	27	47.8 Å²	47.8	28%	0.278	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	153.4	172.8	0	0	0	0	0	113.2	L126 Q134 V135	L126-G128 WeakPolarHBondContact CD1-O 3.47Å; G128-Q134 CarbonylContact O-C 3.45Å; G128-Q134 WeakPolarHBondContact O-CA 3.48Å; G128-V135 PolarHBondContact N-O 2.82Å; G128-V135 PolarHBondContact O-N 3.03Å
129	K	92.8	Very high	95.8	Very high	110 Å²	110	45.6 Å²	45.6	48%	0.478	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.9	172.4	-175.1	161.4	-170.4	155.4	0	109.8	D104 D108 Q134	D104-K129 IonicContact OD2-NZ 3.97Å; D108-K129 VanDerWaalsContact CG-NZ 3.28Å; D108-K129 WeakPolarHBondContact OD2-CE 3.47Å; D108-K129 IonicContact OD2-NZ 3.8Å; D108-K129 PolarHBondContact OD2-NZ 2.96Å; K129-Q134 HydrophobicContact CB-CG 4.24Å; K129-Q134 HydrophobicContact CD-CG 3.82Å; K129-Q134 HydrophobicContact CG-CG 3.81Å
130	G	88.6	Confident	96	Very high	45 Å²	45	38.8 Å²	38.8	46%	0.464	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-166.1	-175.9	0	0	0	0	0	113.1	F132 G133	G130-F132 VanDerWaalsContact C-N 3.34Å; G130-F132 PolarHBondContact O-N 2.73Å; G130-G133 PolarHBondContact N-O 2.82Å; G130-G133 PolarHBondContact O-N 2.84Å
131	S	87.6	Confident	96	Very high	65 Å²	65	41.3 Å²	41.3	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-41.5	179.7	44.4	0	0	0	0	113.2	K153 F158	S131-K153 WeakPolarHBondContact O-CD 3.44Å; S131-K153 WeakPolarHBondContact O-CE 3.32Å; S131-F158 WeakPolarHBondContact O-CE1 3.31Å; S131-F158 WeakPolarHBondContact O-CZ 3.46Å
132	F	88.5	Confident	95.9	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.145	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.8	-175.9	-55.8	-72.8	0	0	0	114.2	G130 K153 F158 Q161 G271	G130-F132 VanDerWaalsContact C-N 3.34Å; G130-F132 PolarHBondContact O-N 2.73Å; F132-K153 PolarHBondContact O-N 3.24Å; F132-F158 HydrophobicContact CD1-CD1 4.32Å; F132-Q161 HydrophobicContact CE1-CG 4.36Å; F132-G271 WeakPolarHBondContact CE1-O 3.41Å
133	G	93.4	Very high	95.9	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141	-138.1	-173	0	0	0	0	0	112.9	G130 I151	G130-G133 PolarHBondContact N-O 2.82Å; G130-G133 PolarHBondContact O-N 2.84Å; G133-I151 WeakPolarHBondContact CA-O 2.91Å
134	Q	97	Very high	95.9	Very high	13 Å²	13	53.3 Å²	53.3	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.3	-169.1	-69.7	175.3	138.5	0	0	111.5	Y109 L126 G128 K129 K150 I151	Y109-Q134 PolarHBondContact O-NE2 2.92Å; L126-Q134 HydrophobicContact CD1-CB 3.76Å; L126-Q134 HydrophobicContact CD1-CG 4.04Å; G128-Q134 CarbonylContact O-C 3.45Å; G128-Q134 WeakPolarHBondContact O-CA 3.48Å; K129-Q134 HydrophobicContact CB-CG 4.24Å; K129-Q134 HydrophobicContact CD-CG 3.82Å; K129-Q134 HydrophobicContact CG-CG 3.81Å; Q134-K150 CarbonylContact O-C 3.55Å; Q134-K150 WeakPolarHBondContact O-CA 3.38Å; Q134-I151 PolarHBondContact N-O 3.23Å; Q134-I151 PolarHBondContact O-N 3.48Å
135	V	97.9	Very high	95.9	Very high	42 Å²	42	53.1 Å²	53.1	26%	0.255	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.8	172.3	-171.7	0	0	0	0	108.6	I127 G128 A148 I149 K150	I127-V135 HydrophobicContact CD1-CG1 4.03Å; I127-V135 HydrophobicContact CG1-CB 4.24Å; I127-V135 HydrophobicContact CG1-CG1 3.91Å; I127-V135 WeakPolarHBondContact CG1-O 3.38Å; I127-V135 PolarHBondContact N-O 2.77Å; G128-V135 PolarHBondContact N-O 2.82Å; G128-V135 PolarHBondContact O-N 3.03Å; V135-A148 HydrophobicContact CG1-CB 4.14Å; V135-I149 WeakPolarHBondContact CA-O 3.21Å; V135-K150 HydrophobicContact CG2-CB 4.32Å; V135-K150 HydrophobicContact CG2-CG 4.17Å
136	V	98.5	Very high	95.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.5	178.5	-62	0	0	0	0	111.3	V111 I123 S125 L126 A148 I149 I151	V111-V136 HydrophobicContact CB-CG1 4.5Å; V111-V136 HydrophobicContact CG1-CG1 3.81Å; V111-V136 HydrophobicContact CG2-CG1 3.78Å; I123-V136 HydrophobicContact CD1-CG2 4.14Å; I123-V136 HydrophobicContact CG2-CB 4.18Å; I123-V136 HydrophobicContact CG2-CG1 4.36Å; I123-V136 HydrophobicContact CG2-CG2 4.27Å; S125-V136 CarbonylContact O-C 3.5Å; S125-V136 VanDerWaalsContact O-CA 3.23Å; S125-V136 WeakPolarHBondContact O-CA 3.41Å; S125-V136 WeakPolarHBondContact O-CB 3.42Å; L126-V136 HydrophobicContact CD1-CG1 4.05Å; V136-A148 WeakPolarHBondContact O-CA 3.39Å; V136-I149 HydrophobicContact CG2-CB 3.88Å; V136-I149 PolarHBondContact N-O 3.02Å; V136-I149 PolarHBondContact O-N 3.21Å; V136-I151 HydrophobicContact CG1-CD1 3.86Å; V136-I151 HydrophobicContact CG2-CD1 3.93Å; V136-I151 HydrophobicContact CG2-CG1 4.43Å
137	K	98.6	Very high	96	Very high	49 Å²	49	52.9 Å²	52.9	21%	0.213	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.1	162.3	170	166.3	170.7	-71.5	0	107.9	D124 S125 I127 W146 M202	D124-K137 HydrophobicContact CB-CG 4.15Å; D124-K137 PolarHBondContact N-O 2.95Å; D124-K137 IonicContact OD1-NZ 2.68Å; D124-K137 PolarHBondContact OD1-NZ 2.68Å; D124-K137 VanDerWaalsContact OD2-CD 3.29Å; D124-K137 WeakPolarHBondContact OD2-CD 3.4Å; D124-K137 WeakPolarHBondContact OD2-CG 3.4Å; D124-K137 IonicContact OD2-NZ 2.65Å; D124-K137 PolarHBondContact OD2-NZ 3Å; S125-K137 PolarHBondContact N-O 2.91Å; S125-K137 PolarHBondContact O-N 3.06Å; I127-K137 HydrophobicContact CD1-CB 4.31Å; I127-K137 HydrophobicContact CG2-CB 3.75Å; K137-W146 HydrophobicContact CD-CE3 4.18Å; K137-W146 HydrophobicContact CD-CZ3 4.34Å; K137-W146 HydrophobicContact CG-CE3 3.66Å; K137-W146 HydrophobicContact CG-CZ3 3.82Å; K137-M202 HydrophobicContact CB-CE 3.74Å; K137-M202 HydrophobicContact CD-CE 4.03Å; K137-M202 HydrophobicContact CG-CE 3.62Å
138	A	98.8	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.5	175.9	0	0	0	0	0	110.8	E122 I123 V147 I149	E122-A138 CarbonylContact O-C 3.58Å; E122-A138 WeakPolarHBondContact O-CA 3.37Å; E122-A138 WeakPolarHBondContact O-CB 3.24Å; I123-A138 HydrophobicContact CD1-CB 3.87Å; A138-V147 HydrophobicContact CB-CG2 4.19Å; A138-V147 PolarHBondContact N-O 3.46Å; A138-V147 WeakPolarHBondContact O-CG2 3.33Å; A138-V147 PolarHBondContact O-N 3.01Å; A138-I149 HydrophobicContact CB-CD1 3.67Å; A138-I149 HydrophobicContact CB-CG1 4.13Å
139	Y	98.7	Very high	96.4	Very high	55 Å²	55	48.1 Å²	48.1	22%	0.216	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.4	171.2	-168.8	-115.3	0	0	0	109.7	Y121 E122 R141 Q144 E145 W146	Y121-Y139 WeakPolarHBondContact CA-O 3.28Å; E122-Y139 PolarHBondContact N-O 2.63Å; E122-Y139 PolarHBondContact O-N 3.19Å; Y139-R141 HydrophobicContact CD1-CG 4.1Å; Y139-Q144 VanDerWaalsContact CE2-O 3.32Å; Y139-Q144 WeakPolarHBondContact CE2-O 3.17Å; Y139-Q144 VanDerWaalsContact OH-CA 3.29Å; Y139-Q144 WeakPolarHBondContact OH-CA 3.37Å; Y139-Q144 PolarHBondContact OH-O 2.91Å; Y139-Q144 PolarHBondContact OH-OE1 2.88Å; Y139-E145 VanDerWaalsContact CD2-O 3.25Å; Y139-E145 WeakPolarHBondContact CD2-O 3.44Å; Y139-W146 AromaticContact CD2-CD2 3.9Å; Y139-W146 HydrophobicContact CD2-CD2 3.9Å; Y139-W146 AromaticContact CD2-CE2 3.91Å; Y139-W146 HydrophobicContact CD2-CE3 4.31Å; Y139-W146 HydrophobicContact CD2-CG 4.15Å; Y139-W146 HydrophobicContact CD2-CZ2 4.35Å
140	D	98.7	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	103.2	175.3	-172.1	-22	0	0	0	109.2	R120 Y121 V142 E143 Q144 E145 V147 R188	R120-D140 WeakPolarHBondContact CG-OD1 3.29Å; R120-D140 IonicContact CZ-OD1 3.14Å; R120-D140 IonicContact CZ-OD2 2.73Å; R120-D140 IonicContact NE-OD1 3.78Å; R120-D140 PolarHBondContact NE-OD1 3.03Å; R120-D140 IonicContact NE-OD2 3.03Å; R120-D140 PolarHBondContact NE-OD2 3.06Å; R120-D140 IonicContact NH2-OD1 2.77Å; R120-D140 PolarHBondContact NH2-OD1 3.14Å; R120-D140 IonicContact NH2-OD2 3.94Å; R120-D140 PolarHBondContact NH2-OD2 3Å; Y121-D140 HydrophobicContact CD1-CB 4.05Å; Y121-D140 HydrophobicContact CE1-CB 3.9Å; Y121-D140 VanDerWaalsContact CE1-OD2 3.31Å; Y121-D140 WeakPolarHBondContact CE1-OD2 3.41Å; D140-V142 PolarHBondContact O-N 2.81Å; D140-V142 PolarHBondContact OD1-N 3.36Å; D140-E143 PolarHBondContact O-N 2.9Å; D140-E143 PolarHBondContact OD1-N 3.46Å; D140-E143 WeakPolarHBondContact OD2-CG 3.49Å; D140-Q144 VanDerWaalsContact O-CA 3.29Å; D140-Q144 WeakPolarHBondContact O-CA 3.47Å; D140-Q144 PolarHBondContact O-N 2.82Å; D140-E145 HydrophobicContact CB-CG 4.38Å; D140-E145 PolarHBondContact N-O 2.82Å; D140-E145 PolarHBondContact O-N 3.06Å; D140-V147 HydrophobicContact CB-CG1 4.16Å; D140-V147 HydrophobicContact CB-CG2 4.33Å; D140-R188 IonicContact OD2-CZ 3.43Å; D140-R188 IonicContact OD2-NH1 3.44Å; D140-R188 PolarHBondContact OD2-NH1 2.62Å; D140-R188 IonicContact OD2-NH2 3.44Å
141	R	98.2	Very high	97.2	Very high	104 Å²	104	41.8 Å²	41.8	39%	0.392	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.3	-176.4	-67.2	167.1	152.7	-95	-4.1	113.7	R120 E122 Y139 Q144	R120-R141 VanDerWaalsContact O-CB 3.24Å; R120-R141 WeakPolarHBondContact O-CB 3.28Å; R120-R141 WeakPolarHBondContact O-CG 3.43Å; R120-R141 PolarHBondContact O-N 2.76Å; E122-R141 IonicContact OE1-NH2 2.76Å; E122-R141 IonicContact OE2-CZ 2.75Å; E122-R141 IonicContact OE2-NE 2.71Å; E122-R141 PolarHBondContact OE2-NE 3.49Å; E122-R141 IonicContact OE2-NH2 2.79Å; E122-R141 PolarHBondContact OE2-NH2 2.84Å; Y139-R141 HydrophobicContact CD1-CG 4.1Å; R141-Q144 PolarHBondContact O-NE2 2.94Å
142	V	98.2	Very high	97.7	Very high	89 Å²	89	38.8 Å²	38.8	54%	0.539	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-49.9	175.6	173	0	0	0	0	111	R120 D140 Q144	R120-V142 HydrophobicContact CB-CG2 4.47Å; R120-V142 HydrophobicContact CG-CB 4.38Å; R120-V142 HydrophobicContact CG-CG2 3.86Å; D140-V142 PolarHBondContact O-N 2.81Å; D140-V142 PolarHBondContact OD1-N 3.36Å; V142-Q144 VanDerWaalsContact C-N 3.31Å
143	E	97.9	Very high	98.1	Very high	95 Å²	95	37.7 Å²	37.7	44%	0.444	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.2	178.8	-40.7	-63.1	168.1	0	0	113.1	R120 D140 E145 R188	R120-E143 IonicContact CZ-OE1 2.82Å; R120-E143 IonicContact NH1-OE1 2.82Å; R120-E143 VanDerWaalsContact NH2-CG 3.31Å; R120-E143 IonicContact NH2-OE1 2.78Å; R120-E143 PolarHBondContact NH2-OE1 2.66Å; D140-E143 PolarHBondContact O-N 2.9Å; D140-E143 PolarHBondContact OD1-N 3.46Å; D140-E143 WeakPolarHBondContact OD2-CG 3.49Å; E143-E145 VanDerWaalsContact C-N 3.26Å; E143-E145 HydrophobicContact CB-CG 4.04Å; E143-E145 PolarHBondContact O-N 2.78Å; E143-R188 IonicContact OE1-CZ 3.73Å; E143-R188 IonicContact OE1-NH2 3.98Å; E143-R188 PolarHBondContact OE1-NH2 3.28Å
144	Q	98.2	Very high	98.3	Very high	125 Å²	125	39.6 Å²	39.6	58%	0.584	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	27.3	-176.6	-62.2	-74.3	-63.9	0	0	114.6	Y139 D140 R141 V142	Y139-Q144 VanDerWaalsContact CE2-O 3.32Å; Y139-Q144 WeakPolarHBondContact CE2-O 3.17Å; Y139-Q144 VanDerWaalsContact OH-CA 3.29Å; Y139-Q144 WeakPolarHBondContact OH-CA 3.37Å; Y139-Q144 PolarHBondContact OH-O 2.91Å; Y139-Q144 PolarHBondContact OH-OE1 2.88Å; D140-Q144 VanDerWaalsContact O-CA 3.29Å; D140-Q144 WeakPolarHBondContact O-CA 3.47Å; D140-Q144 PolarHBondContact O-N 2.82Å; R141-Q144 PolarHBondContact O-NE2 2.94Å; V142-Q144 VanDerWaalsContact C-N 3.31Å
145	E	98.3	Very high	98.3	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.262	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.2	-174.8	79.1	-175.4	147.3	0	0	113.9	Y139 D140 E143 V147 K187	Y139-E145 VanDerWaalsContact CD2-O 3.25Å; Y139-E145 WeakPolarHBondContact CD2-O 3.44Å; D140-E145 HydrophobicContact CB-CG 4.38Å; D140-E145 PolarHBondContact N-O 2.82Å; D140-E145 PolarHBondContact O-N 3.06Å; E143-E145 VanDerWaalsContact C-N 3.26Å; E143-E145 HydrophobicContact CB-CG 4.04Å; E143-E145 PolarHBondContact O-N 2.78Å; E145-V147 HydrophobicContact CG-CG1 3.77Å; E145-K187 VanDerWaalsContact OE1-CE 3.23Å; E145-K187 WeakPolarHBondContact OE1-CE 3.33Å; E145-K187 IonicContact OE1-NZ 3.21Å; E145-K187 PolarHBondContact OE1-NZ 3.03Å; E145-K187 VanDerWaalsContact OE2-CE 3.28Å; E145-K187 WeakPolarHBondContact OE2-CE 3.47Å; E145-K187 IonicContact OE2-NZ 2.67Å; E145-K187 PolarHBondContact OE2-NZ 3.31Å
146	W	98.6	Very high	98.1	Very high	112 Å²	112	49.1 Å²	49.1	42%	0.424	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.8	168.2	-72.9	100.2	0	0	0	110.7	D124 K137 Y139 M202	D124-W146 HydrophobicContact CB-CH2 4.08Å; D124-W146 HydrophobicContact CB-CZ3 3.67Å; K137-W146 HydrophobicContact CD-CE3 4.18Å; K137-W146 HydrophobicContact CD-CZ3 4.34Å; K137-W146 HydrophobicContact CG-CE3 3.66Å; K137-W146 HydrophobicContact CG-CZ3 3.82Å; Y139-W146 AromaticContact CD2-CD2 3.9Å; Y139-W146 HydrophobicContact CD2-CD2 3.9Å; Y139-W146 AromaticContact CD2-CE2 3.91Å; Y139-W146 HydrophobicContact CD2-CE3 4.31Å; Y139-W146 HydrophobicContact CD2-CG 4.15Å; Y139-W146 HydrophobicContact CD2-CZ2 4.35Å; W146-M202 HydrophobicContact CB-CB 4.38Å; W146-M202 VanDerWaalsContact O-CB 3.31Å; W146-M202 WeakPolarHBondContact O-CB 3.5Å
147	V	98.7	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.8	-179.1	-63.6	0	0	0	0	111.8	Y121 A138 D140 E145 I149 K187 V199 F200 M202	Y121-V147 HydrophobicContact CD1-CG2 4.15Å; Y121-V147 HydrophobicContact CE1-CG2 4.27Å; A138-V147 HydrophobicContact CB-CG2 4.19Å; A138-V147 PolarHBondContact N-O 3.46Å; A138-V147 WeakPolarHBondContact O-CG2 3.33Å; A138-V147 PolarHBondContact O-N 3.01Å; D140-V147 HydrophobicContact CB-CG1 4.16Å; D140-V147 HydrophobicContact CB-CG2 4.33Å; E145-V147 HydrophobicContact CG-CG1 3.77Å; V147-I149 HydrophobicContact CG2-CD1 4.31Å; V147-I149 HydrophobicContact CG2-CG1 4.04Å; V147-K187 HydrophobicContact CG1-CD 4.07Å; V147-V199 HydrophobicContact CB-CG1 3.74Å; V147-V199 HydrophobicContact CG1-CG1 3.9Å; V147-V199 HydrophobicContact CG2-CG1 3.91Å; V147-F200 WeakPolarHBondContact CB-O 2.99Å; V147-M202 VanDerWaalsContact O-CE 3.3Å; V147-M202 WeakPolarHBondContact O-CE 3.34Å
148	A	98.7	Very high	97.7	Very high	11 Å²	11	52.4 Å²	52.4	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125	168	0	0	0	0	0	109.2	I127 V135 V136 F200 M202	I127-A148 HydrophobicContact CD1-CB 4.24Å; V135-A148 HydrophobicContact CG1-CB 4.14Å; V136-A148 WeakPolarHBondContact O-CA 3.39Å; A148-F200 HydrophobicContact CB-CB 4.48Å; A148-F200 PolarHBondContact N-O 3.18Å; A148-F200 VanDerWaalsContact N-O 3.15Å; A148-F200 PolarHBondContact O-N 3.36Å; A148-M202 HydrophobicContact CB-CE 4.31Å; A148-M202 HydrophobicContact CB-SD 4.45Å
149	I	98.7	Very high	97.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.8	179.1	-51.9	-177.4	0	0	0	109.3	W117 Y121 I123 V135 V136 A138 V147 I151 C197 L198 V199	W117-I149 HydrophobicContact CZ3-CG2 4.47Å; Y121-I149 HydrophobicContact CD1-CD1 3.81Å; Y121-I149 HydrophobicContact CD2-CD1 4.46Å; Y121-I149 HydrophobicContact CE1-CD1 4.41Å; Y121-I149 HydrophobicContact CG-CD1 3.84Å; I123-I149 HydrophobicContact CD1-CD1 4.44Å; V135-I149 WeakPolarHBondContact CA-O 3.21Å; V136-I149 HydrophobicContact CG2-CB 3.88Å; V136-I149 PolarHBondContact N-O 3.02Å; V136-I149 PolarHBondContact O-N 3.21Å; A138-I149 HydrophobicContact CB-CD1 3.67Å; A138-I149 HydrophobicContact CB-CG1 4.13Å; V147-I149 HydrophobicContact CG2-CD1 4.31Å; V147-I149 HydrophobicContact CG2-CG1 4.04Å; I149-I151 HydrophobicContact CG2-CG1 4.38Å; I149-I151 PolarHBondContact O-N 2.84Å; I149-C197 HydrophobicContact CG2-CB 3.96Å; I149-L198 CarbonylContact C-O 3.51Å; I149-L198 WeakPolarHBondContact CA-O 3.27Å; I149-V199 HydrophobicContact CG1-CG1 4.49Å; I149-V199 HydrophobicContact CG1-CG2 4.33Å
150	K	98.5	Very high	97.3	Very high	19 Å²	19	55.8 Å²	55.8	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	107.6	173.2	-170.9	-175.2	-165.4	-174.5	0	108.5	Q134 V135 I152 E165 C197 L198 F200 D269	Q134-K150 CarbonylContact O-C 3.55Å; Q134-K150 WeakPolarHBondContact O-CA 3.38Å; V135-K150 HydrophobicContact CG2-CB 4.32Å; V135-K150 HydrophobicContact CG2-CG 4.17Å; K150-I152 HydrophobicContact CD-CD1 3.96Å; K150-I152 HydrophobicContact CG-CD1 3.97Å; K150-E165 IonicContact NZ-OE1 3.68Å; K150-E165 PolarHBondContact NZ-OE1 2.87Å; K150-E165 IonicContact NZ-OE2 3.86Å; K150-E165 PolarHBondContact NZ-OE2 3.42Å; K150-C197 WeakPolarHBondContact O-CA 3.28Å; K150-L198 HydrophobicContact CB-CB 4.3Å; K150-L198 PolarHBondContact N-O 2.92Å; K150-L198 PolarHBondContact O-N 2.96Å; K150-F200 HydrophobicContact CB-CD2 4.34Å; K150-F200 HydrophobicContact CB-CE2 3.82Å; K150-F200 HydrophobicContact CD-CE2 4.23Å; K150-D269 IonicContact NZ-OD1 3.68Å; K150-D269 PolarHBondContact NZ-OD1 3.23Å
151	I	98.6	Very high	97	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	106.9	178.3	-49.3	165.5	0	0	0	107.7	Y109 V111 W117 G133 Q134 V136 I149 H195	Y109-I151 HydrophobicContact CD1-CD1 4.48Å; V111-I151 HydrophobicContact CG2-CD1 4.19Å; W117-I151 HydrophobicContact CH2-CD1 3.63Å; W117-I151 HydrophobicContact CH2-CG1 3.9Å; W117-I151 HydrophobicContact CZ2-CD1 4.31Å; W117-I151 HydrophobicContact CZ3-CG1 4.42Å; G133-I151 WeakPolarHBondContact CA-O 2.91Å; Q134-I151 PolarHBondContact N-O 3.23Å; Q134-I151 PolarHBondContact O-N 3.48Å; V136-I151 HydrophobicContact CG1-CD1 3.86Å; V136-I151 HydrophobicContact CG2-CD1 3.93Å; V136-I151 HydrophobicContact CG2-CG1 4.43Å; I149-I151 HydrophobicContact CG2-CG1 4.38Å; I149-I151 PolarHBondContact O-N 2.84Å; I151-H195 HydrophobicContact CG2-CB 3.77Å
152	I	98.4	Very high	96.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.7	-179.3	-56	-63.9	0	0	0	110	K150 F158 A162 H195 L196 L198	K150-I152 HydrophobicContact CD-CD1 3.96Å; K150-I152 HydrophobicContact CG-CD1 3.97Å; I152-F158 HydrophobicContact CG2-CB 3.9Å; I152-A162 HydrophobicContact CB-CB 4.29Å; I152-A162 HydrophobicContact CD1-CB 3.75Å; I152-A162 HydrophobicContact CG1-CB 3.61Å; I152-A162 HydrophobicContact CG2-CB 3.84Å; I152-H195 PolarHBondContact O-ND1 3.15Å; I152-L196 HydrophobicContact CB-CB 4.26Å; I152-L196 WeakPolarHBondContact CB-O 3.44Å; I152-L196 HydrophobicContact CG1-CB 4.38Å; I152-L196 WeakPolarHBondContact CG1-O 3.34Å; I152-L196 PolarHBondContact N-O 2.95Å; I152-L198 HydrophobicContact CD1-CD1 4.41Å; I152-L198 HydrophobicContact CG1-CD1 3.91Å
153	K	98.1	Very high	96.8	Very high	11 Å²	11	52.5 Å²	52.5	5%	0.048	25%	0.254	C	S	.	.			trans	-53	140.9	178.3	-77.3	172.7	177.2	-62.2	0	113.3	N106 Y107 D108 S131 F132 K155 F158	N106-K153 PolarHBondContact ND2-NZ 2.91Å; N106-K153 PolarHBondContact O-NZ 3.33Å; Y107-K153 VanDerWaalsContact O-CA 3.24Å; Y107-K153 WeakPolarHBondContact O-CA 3.47Å; Y107-K153 WeakPolarHBondContact O-CB 3.24Å; D108-K153 WeakPolarHBondContact OD1-CE 3.23Å; D108-K153 WeakPolarHBondContact OD1-CG 3.33Å; D108-K153 IonicContact OD1-NZ 2.66Å; D108-K153 PolarHBondContact OD1-NZ 3.48Å; D108-K153 IonicContact OD2-NZ 3.69Å; D108-K153 PolarHBondContact OD2-NZ 3.48Å; S131-K153 WeakPolarHBondContact O-CD 3.44Å; S131-K153 WeakPolarHBondContact O-CE 3.32Å; F132-K153 PolarHBondContact O-N 3.24Å; K153-K155 PolarHBondContact O-N 2.96Å; K153-F158 HydrophobicContact CB-CB 4.19Å; K153-F158 HydrophobicContact CB-CD2 3.5Å; K153-F158 HydrophobicContact CB-CE2 4.17Å; K153-F158 HydrophobicContact CB-CG 4.07Å; K153-F158 HydrophobicContact CD-CD2 3.62Å; K153-F158 HydrophobicContact CD-CE2 3.4Å; K153-F158 HydrophobicContact CD-CG 4.36Å; K153-F158 HydrophobicContact CD-CZ 3.97Å; K153-F158 HydrophobicContact CG-CD2 4.2Å; K153-F158 HydrophobicContact CG-CE2 4.44Å
154	N	97.6	Very high	96.7	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	25%	0.245	S	C	.	.	S	Bend	trans	-74.9	70.5	178.3	-175.3	6.8	0	0	0	111.6	N99 D103 Y107	N99-N154 PolarHBondContact ND2-ND2 3.42Å; D103-N154 WeakPolarHBondContact OD2-CB 3.3Å; D103-N154 PolarHBondContact OD2-ND2 2.91Å; Y107-N154 WeakPolarHBondContact CD1-O 3.47Å; Y107-N154 PolarHBondContact O-N 3.4Å
155	K	96.1	Very high	96.6	Very high	93 Å²	93	44.5 Å²	44.5	40%	0.404	22%	0.217	S	C	.	.	S	Bend	trans	-156.2	130.4	178.8	-170.2	171.2	-174.6	163.9	0	110.3	Y107 K153 A157 F158 L159	Y107-K155 HydrophobicContact CD1-CB 4.43Å; Y107-K155 HydrophobicContact CD2-CD 3.96Å; Y107-K155 HydrophobicContact CE1-CD 4.4Å; Y107-K155 HydrophobicContact CE2-CD 3.81Å; Y107-K155 HydrophobicContact CG-CB 4.34Å; Y107-K155 HydrophobicContact CG-CD 4.34Å; K153-K155 PolarHBondContact O-N 2.96Å; K155-A157 PolarHBondContact O-N 2.89Å; K155-F158 HydrophobicContact CB-CD2 4.02Å; K155-F158 HydrophobicContact CD-CD2 4.43Å; K155-F158 HydrophobicContact CD-CE2 4.35Å; K155-F158 PolarHBondContact O-N 2.9Å; K155-L159 PolarHBondContact O-N 2.83Å
156	K	95.1	Very high	96.6	Very high	162 Å²	162	42.2 Å²	42.2	70%	0.704	21%	0.207	S	C	*	.	H	α-helix	trans	-47.7	-38.4	-172.9	-168.3	172.2	-176.7	176.6	0	114.7	L159 N160	K156-L159 PolarHBondContact O-N 3.28Å; K156-N160 WeakPolarHBondContact O-CB 3.36Å; K156-N160 PolarHBondContact O-N 2.96Å; K156-N160 PolarHBondContact O-OD1 2.86Å
157	A	92.8	Very high	96.6	Very high	61 Å²	61	43.4 Å²	43.4	50%	0.504	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-42.9	177.4	0	0	0	0	0	113.6	K155 Q161	K155-A157 PolarHBondContact O-N 2.89Å; A157-Q161 WeakPolarHBondContact O-CB 3.47Å; A157-Q161 PolarHBondContact O-N 3.5Å
158	F	95.2	Very high	96.5	Very high	56 Å²	56	43.6 Å²	43.6	25%	0.246	21%	0.213	C	C	.	.	H	α-helix	trans	-74.1	-36.8	177.1	-64.1	-58.9	0	0	0	111.6	S131 F132 I152 K153 K155 Q161 A162	S131-F158 WeakPolarHBondContact O-CE1 3.31Å; S131-F158 WeakPolarHBondContact O-CZ 3.46Å; F132-F158 HydrophobicContact CD1-CD1 4.32Å; I152-F158 HydrophobicContact CG2-CB 3.9Å; K153-F158 HydrophobicContact CB-CB 4.19Å; K153-F158 HydrophobicContact CB-CD2 3.5Å; K153-F158 HydrophobicContact CB-CE2 4.17Å; K153-F158 HydrophobicContact CB-CG 4.07Å; K153-F158 HydrophobicContact CD-CD2 3.62Å; K153-F158 HydrophobicContact CD-CE2 3.4Å; K153-F158 HydrophobicContact CD-CG 4.36Å; K153-F158 HydrophobicContact CD-CZ 3.97Å; K153-F158 HydrophobicContact CG-CD2 4.2Å; K153-F158 HydrophobicContact CG-CE2 4.44Å; K155-F158 HydrophobicContact CB-CD2 4.02Å; K155-F158 HydrophobicContact CD-CD2 4.43Å; K155-F158 HydrophobicContact CD-CE2 4.35Å; K155-F158 PolarHBondContact O-N 2.9Å; F158-Q161 PolarHBondContact O-N 2.87Å; F158-A162 WeakPolarHBondContact O-CB 3.38Å; F158-A162 PolarHBondContact O-N 2.76Å
159	L	96.4	Very high	96.5	Very high	47 Å²	47	43.1 Å²	43.1	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-51.8	173.4	177	61.6	0	0	0	111.7	K155 K156 Q161 A162 Q163 M191 L196	K155-L159 PolarHBondContact O-N 2.83Å; K156-L159 PolarHBondContact O-N 3.28Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 2.99Å; L159-A162 PolarHBondContact O-N 2.84Å; L159-Q163 WeakPolarHBondContact O-CG 3.29Å; L159-Q163 PolarHBondContact O-N 2.95Å; L159-M191 HydrophobicContact CD1-CE 4.09Å; L159-L196 HydrophobicContact CD1-CB 3.7Å; L159-L196 HydrophobicContact CD1-CD2 3.9Å; L159-L196 HydrophobicContact CD1-CG 4.36Å
160	N	93.3	Very high	96.5	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	23%	0.231	S	C	.	.	H	α-helix	trans	-58.2	-42.9	178.1	-74	22.4	0	0	0	111.6	K156 Q163 I164	K156-N160 WeakPolarHBondContact O-CB 3.36Å; K156-N160 PolarHBondContact O-N 2.96Å; K156-N160 PolarHBondContact O-OD1 2.86Å; N160-Q163 PolarHBondContact O-N 2.81Å; N160-I164 PolarHBondContact O-N 3.05Å
161	Q	92.1	Very high	96.4	Very high	16 Å²	16	49.1 Å²	49.1	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-38.6	179.4	-170.7	60.2	24.5	0	0	112.1	F132 A157 F158 L159 Q163 I164 E165 G271 Y281	F132-Q161 HydrophobicContact CE1-CG 4.36Å; A157-Q161 WeakPolarHBondContact O-CB 3.47Å; A157-Q161 PolarHBondContact O-N 3.5Å; F158-Q161 PolarHBondContact O-N 2.87Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 2.99Å; Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q161-Q163 PolarHBondContact O-N 3.2Å; Q161-I164 WeakPolarHBondContact O-CB 3.32Å; Q161-I164 PolarHBondContact O-N 3.19Å; Q161-E165 PolarHBondContact O-N 3.42Å; Q161-E165 VanDerWaalsContact O-N 3.1Å; Q161-G271 WeakPolarHBondContact CG-O 3.35Å; Q161-G271 PolarHBondContact NE2-O 2.74Å; Q161-Y281 PolarHBondContact OE1-OH 2.81Å
162	A	96	Very high	96.4	Very high	3 Å²	3	49 Å²	49	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-71.1	-25	175.8	0	0	0	0	0	113.5	I152 F158 L159 I164 E165 V166 L196	I152-A162 HydrophobicContact CB-CB 4.29Å; I152-A162 HydrophobicContact CD1-CB 3.75Å; I152-A162 HydrophobicContact CG1-CB 3.61Å; I152-A162 HydrophobicContact CG2-CB 3.84Å; F158-A162 WeakPolarHBondContact O-CB 3.38Å; F158-A162 PolarHBondContact O-N 2.76Å; L159-A162 PolarHBondContact O-N 2.84Å; A162-I164 VanDerWaalsContact C-N 3.3Å; A162-E165 WeakPolarHBondContact O-CB 3.1Å; A162-E165 PolarHBondContact O-N 3.5Å; A162-V166 WeakPolarHBondContact O-CG2 3.25Å; A162-V166 PolarHBondContact O-N 3.04Å; A162-L196 HydrophobicContact CB-CD2 3.83Å
163	Q	96.6	Very high	96.3	Very high	105 Å²	105	49.8 Å²	49.8	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-32.7	168.9	-73.8	172.4	-28.8	0	0	112	L159 N160 Q161 R167 L196	L159-Q163 WeakPolarHBondContact O-CG 3.29Å; L159-Q163 PolarHBondContact O-N 2.95Å; N160-Q163 PolarHBondContact O-N 2.81Å; Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q161-Q163 PolarHBondContact O-N 3.2Å; Q163-R167 WeakPolarHBondContact O-CB 3.29Å; Q163-R167 PolarHBondContact O-N 2.77Å; Q163-R167 VanDerWaalsContact O-N 3.13Å; Q163-L196 HydrophobicContact CG-CD2 4.4Å
164	I	94.8	Very high	96.2	Very high	50 Å²	50	56.7 Å²	56.7	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-68	-45.9	170.6	-56.8	173.9	0	0	0	109.7	N160 Q161 A162 V166 R167 L168 I280	N160-I164 PolarHBondContact O-N 3.05Å; Q161-I164 WeakPolarHBondContact O-CB 3.32Å; Q161-I164 PolarHBondContact O-N 3.19Å; A162-I164 VanDerWaalsContact C-N 3.3Å; I164-V166 PolarHBondContact O-N 2.82Å; I164-R167 PolarHBondContact O-N 3.22Å; I164-L168 HydrophobicContact CG2-CD1 4.03Å; I164-L168 HydrophobicContact CG2-CG 4.27Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 2.85Å; I164-I280 HydrophobicContact CD1-CD1 3.75Å
165	E	96.8	Very high	96.1	Very high	2 Å²	2	58 Å²	58	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-55.7	-48.1	175.9	-179.9	171.6	-158.2	0	0	112.3	K150 Q161 A162 L168 L169 L198 F270 G271	K150-E165 IonicContact NZ-OE1 3.68Å; K150-E165 PolarHBondContact NZ-OE1 2.87Å; K150-E165 IonicContact NZ-OE2 3.86Å; K150-E165 PolarHBondContact NZ-OE2 3.42Å; Q161-E165 PolarHBondContact O-N 3.42Å; Q161-E165 VanDerWaalsContact O-N 3.1Å; A162-E165 WeakPolarHBondContact O-CB 3.1Å; A162-E165 PolarHBondContact O-N 3.5Å; E165-L168 PolarHBondContact O-N 3.38Å; E165-L169 HydrophobicContact CG-CD1 3.68Å; E165-L169 HydrophobicContact CG-CG 4.45Å; E165-L169 WeakPolarHBondContact O-CB 3.46Å; E165-L169 WeakPolarHBondContact O-CD1 3.4Å; E165-L169 VanDerWaalsContact O-CG 3.27Å; E165-L169 WeakPolarHBondContact O-CG 3.5Å; E165-L169 PolarHBondContact O-N 2.67Å; E165-L198 HydrophobicContact CG-CD2 4.22Å; E165-F270 HydrophobicContact CG-CB 4.09Å; E165-F270 PolarHBondContact OE1-N 2.88Å; E165-G271 PolarHBondContact OE1-N 2.85Å
166	V	98.2	Very high	96	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-55.7	-53.7	174	168.3	0	0	0	0	111	A162 I164 L168 L169 E170 L186 H189 L198	A162-V166 WeakPolarHBondContact O-CG2 3.25Å; A162-V166 PolarHBondContact O-N 3.04Å; I164-V166 PolarHBondContact O-N 2.82Å; V166-L168 VanDerWaalsContact C-N 3.28Å; V166-L168 PolarHBondContact O-N 3.38Å; V166-L169 PolarHBondContact O-N 2.81Å; V166-L169 VanDerWaalsContact O-N 3.13Å; V166-E170 HydrophobicContact CG1-CG 4.21Å; V166-E170 WeakPolarHBondContact O-CG 3.44Å; V166-E170 PolarHBondContact O-N 3.33Å; V166-L186 HydrophobicContact CB-CD2 4.47Å; V166-L186 HydrophobicContact CG1-CD2 4.23Å; V166-L186 HydrophobicContact CG2-CD2 4.37Å; V166-H189 HydrophobicContact CG2-CB 4.22Å; V166-L198 HydrophobicContact CG2-CD1 4.09Å; V166-L198 HydrophobicContact CG2-CD2 3.71Å; V166-L198 HydrophobicContact CG2-CG 3.78Å
167	R	97.6	Very high	95.6	Very high	137 Å²	137	51.8 Å²	51.8	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-39	-178.3	179.4	-177	173.9	-140.5	-5	112.6	Q163 I164 L171	Q163-R167 WeakPolarHBondContact O-CB 3.29Å; Q163-R167 PolarHBondContact O-N 2.77Å; Q163-R167 VanDerWaalsContact O-N 3.13Å; I164-R167 PolarHBondContact O-N 3.22Å; R167-L171 WeakPolarHBondContact O-CB 3.47Å; R167-L171 PolarHBondContact O-N 3.17Å
168	L	97.8	Very high	95.6	Very high	4 Å²	4	55 Å²	55	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-71.9	-41.9	177.5	-65.1	179.8	0	0	0	111.7	I164 E165 V166 L171 M172 I245 Q275	I164-L168 HydrophobicContact CG2-CD1 4.03Å; I164-L168 HydrophobicContact CG2-CG 4.27Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 2.85Å; E165-L168 PolarHBondContact O-N 3.38Å; V166-L168 VanDerWaalsContact C-N 3.28Å; V166-L168 PolarHBondContact O-N 3.38Å; L168-L171 PolarHBondContact O-N 3.2Å; L168-M172 HydrophobicContact CB-CE 4.45Å; L168-M172 WeakPolarHBondContact O-CB 3.34Å; L168-M172 WeakPolarHBondContact O-CE 3.49Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.48Å; L168-M172 PolarHBondContact O-N 3.37Å; L168-I245 HydrophobicContact CB-CD1 4.43Å; L168-I245 HydrophobicContact CD2-CD1 4.09Å; L168-I245 HydrophobicContact CD2-CG1 4.24Å; L168-Q275 HydrophobicContact CD2-CG 3.74Å
169	L	98.3	Very high	95.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-45.3	176.8	-74.1	162.4	0	0	0	112.2	E165 V166 L171 M172 N173 V184 L186 L198 F200 F270	E165-L169 HydrophobicContact CG-CD1 3.68Å; E165-L169 HydrophobicContact CG-CG 4.45Å; E165-L169 WeakPolarHBondContact O-CB 3.46Å; E165-L169 WeakPolarHBondContact O-CD1 3.4Å; E165-L169 VanDerWaalsContact O-CG 3.27Å; E165-L169 WeakPolarHBondContact O-CG 3.5Å; E165-L169 PolarHBondContact O-N 2.67Å; V166-L169 PolarHBondContact O-N 2.81Å; V166-L169 VanDerWaalsContact O-N 3.13Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.39Å; L169-M172 HydrophobicContact CD2-CE 3.95Å; L169-M172 HydrophobicContact CG-CE 4.32Å; L169-M172 PolarHBondContact O-N 2.82Å; L169-N173 WeakPolarHBondContact O-CB 3.48Å; L169-N173 PolarHBondContact O-N 3.32Å; L169-N173 PolarHBondContact O-OD1 3.35Å; L169-V184 HydrophobicContact CD2-CG1 3.96Å; L169-L186 HydrophobicContact CB-CB 3.95Å; L169-L186 HydrophobicContact CB-CD2 3.79Å; L169-L186 HydrophobicContact CD1-CB 4.29Å; L169-L186 HydrophobicContact CD1-CD2 4.1Å; L169-L198 HydrophobicContact CD1-CD2 4.12Å; L169-F200 HydrophobicContact CD1-CE1 3.64Å; L169-F200 HydrophobicContact CD1-CZ 3.75Å; L169-F200 HydrophobicContact CD2-CE1 4.27Å; L169-F270 HydrophobicContact CD2-CD2 4.05Å
170	E	97.8	Very high	95.2	Very high	100 Å²	100	59.8 Å²	59.8	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-43.2	175.6	-70.1	178.1	149.5	0	0	111.8	V166 K174 L186 H189	V166-E170 HydrophobicContact CG1-CG 4.21Å; V166-E170 WeakPolarHBondContact O-CG 3.44Å; V166-E170 PolarHBondContact O-N 3.33Å; E170-K174 VanDerWaalsContact O-CB 3.26Å; E170-K174 WeakPolarHBondContact O-CB 3.4Å; E170-K174 PolarHBondContact O-N 2.9Å; E170-L186 HydrophobicContact CG-CD2 4.25Å; E170-H189 IonicContact OE1-CD2 3.75Å; E170-H189 IonicContact OE1-NE2 2.82Å
171	L	97.6	Very high	95.3	Very high	46 Å²	46	60.1 Å²	60.1	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-45.8	176.1	-178.5	64.8	0	0	0	111.7	R167 L168 L169 K174 H175 L243	R167-L171 WeakPolarHBondContact O-CB 3.47Å; R167-L171 PolarHBondContact O-N 3.17Å; L168-L171 PolarHBondContact O-N 3.2Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.39Å; L171-K174 PolarHBondContact O-N 3.1Å; L171-H175 PolarHBondContact O-CD2 2.99Å; L171-H175 VanDerWaalsContact O-CD2 3.25Å; L171-H175 PolarHBondContact O-N 3.13Å; L171-L243 HydrophobicContact CD1-CD2 4.41Å; L171-L243 HydrophobicContact CD2-CD2 3.89Å; L171-L243 HydrophobicContact CG-CD2 3.61Å
172	M	98.1	Very high	95.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-47	177	-72.2	-177.4	-62.8	0	0	112.1	L168 L169 K174 H175 D176 I183 F237 L238 L243 I245 F270	L168-M172 HydrophobicContact CB-CE 4.45Å; L168-M172 WeakPolarHBondContact O-CB 3.34Å; L168-M172 WeakPolarHBondContact O-CE 3.49Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.48Å; L168-M172 PolarHBondContact O-N 3.37Å; L169-M172 HydrophobicContact CD2-CE 3.95Å; L169-M172 HydrophobicContact CG-CE 4.32Å; L169-M172 PolarHBondContact O-N 2.82Å; M172-K174 VanDerWaalsContact C-N 3.26Å; M172-K174 PolarHBondContact O-N 3.44Å; M172-H175 CarbonylContact O-C 3.54Å; M172-H175 WeakPolarHBondContact O-CA 3.23Å; M172-H175 PolarHBondContact O-N 3.17Å; M172-D176 PolarHBondContact O-N 3.48Å; M172-I183 HydrophobicContact CE-CG2 3.88Å; M172-I183 HydrophobicContact SD-CG1 4.5Å; M172-I183 HydrophobicContact SD-CG2 3.95Å; M172-F237 HydrophobicContact CB-CE1 4.07Å; M172-F237 HydrophobicContact CB-CZ 4.46Å; M172-F237 HydrophobicContact CG-CE1 4.15Å; M172-L238 HydrophobicContact CG-CD2 4.41Å; M172-L238 HydrophobicContact SD-CD2 3.35Å; M172-L238 WeakPolarHBondContact SD-CD2 3.31Å; M172-L243 HydrophobicContact CG-CD1 4.26Å; M172-L243 HydrophobicContact CG-CD2 4.37Å; M172-I245 HydrophobicContact CG-CD1 3.56Å; M172-I245 HydrophobicContact SD-CD1 3.71Å; M172-F270 HydrophobicContact CE-CD1 3.56Å; M172-F270 HydrophobicContact CE-CD2 4.06Å; M172-F270 HydrophobicContact CE-CE1 3.49Å; M172-F270 VanDerWaalsContact CE-CE1 3.49Å; M172-F270 HydrophobicContact CE-CE2 4.02Å; M172-F270 HydrophobicContact CE-CG 3.86Å; M172-F270 HydrophobicContact CE-CZ 3.75Å; M172-F270 HydrophobicContact SD-CD1 4.18Å; M172-F270 HydrophobicContact SD-CE1 3.58Å; M172-F270 VanDerWaalsContact SD-CE1 3.58Å; M172-F270 HydrophobicContact SD-CZ 3.9Å
173	N	95.4	Very high	95.7	Very high	18 Å²	18	62.6 Å²	62.6	10%	0.096	29%	0.29	C	S	.	.	H	α-helix	trans	-68.4	-25.2	-179.3	-63.2	155.4	0	0	0	112.4	L169 H175 D176 V184 L186	L169-N173 WeakPolarHBondContact O-CB 3.48Å; L169-N173 PolarHBondContact O-N 3.32Å; L169-N173 PolarHBondContact O-OD1 3.35Å; N173-H175 VanDerWaalsContact C-N 3.33Å; N173-D176 CarbonylContact O-C 3.54Å; N173-V184 PolarHBondContact ND2-O 2.95Å; N173-L186 PolarHBondContact OD1-N 3.47Å
174	K	96.3	Very high	95.8	Very high	155 Å²	155	57.8 Å²	57.8	67%	0.674	27%	0.268	S	S	*	.	H	α-helix	trans	-66.7	-32	167.7	-178.1	-173.2	175.6	-167.6	0	112.8	E170 L171 M172	E170-K174 VanDerWaalsContact O-CB 3.26Å; E170-K174 WeakPolarHBondContact O-CB 3.4Å; E170-K174 PolarHBondContact O-N 2.9Å; L171-K174 PolarHBondContact O-N 3.1Å; M172-K174 VanDerWaalsContact C-N 3.26Å; M172-K174 PolarHBondContact O-N 3.44Å
175	H	95.4	Very high	95.9	Very high	76 Å²	76	58.1 Å²	58.1	35%	0.352	27%	0.268	S	S	.	.	H	α-helix	trans	-92.6	-11.5	177.8	-75.3	-117.7	0	0	0	113.4	L171 M172 N173 F237	L171-H175 PolarHBondContact O-CD2 2.99Å; L171-H175 VanDerWaalsContact O-CD2 3.25Å; L171-H175 PolarHBondContact O-N 3.13Å; M172-H175 CarbonylContact O-C 3.54Å; M172-H175 WeakPolarHBondContact O-CA 3.23Å; M172-H175 PolarHBondContact O-N 3.17Å; N173-H175 VanDerWaalsContact C-N 3.33Å; H175-F237 HydrophobicContact CB-CE2 4Å; H175-F237 HydrophobicContact CB-CZ 3.98Å
176	D	94.3	Very high	96	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.027	27%	0.271	C	S	.	.			trans	-123.9	58.9	174.8	-169.9	20.2	0	0	0	112	M172 N173 E178 M179 K180 Y181 F237	M172-D176 PolarHBondContact O-N 3.48Å; N173-D176 CarbonylContact O-C 3.54Å; D176-E178 PolarHBondContact O-N 3.29Å; D176-M179 PolarHBondContact O-N 2.96Å; D176-M179 VanDerWaalsContact O-N 3.11Å; D176-M179 WeakPolarHBondContact OD1-CA 3.44Å; D176-M179 PolarHBondContact OD1-N 2.69Å; D176-M179 VanDerWaalsContact OD1-N 3.09Å; D176-M179 VanDerWaalsContact OD2-C 3.32Å; D176-M179 WeakPolarHBondContact OD2-CA 3.35Å; D176-K180 VanDerWaalsContact CG-N 3.35Å; D176-K180 PolarHBondContact OD1-N 2.68Å; D176-K180 PolarHBondContact OD2-N 2.7Å; D176-Y181 HydrophobicContact CB-CD2 3.9Å; D176-Y181 WeakPolarHBondContact OD1-CD2 3.46Å; D176-Y181 PolarHBondContact OD2-N 3.45Å; D176-F237 HydrophobicContact CB-CE1 4.44Å; D176-F237 HydrophobicContact CB-CE2 4.25Å; D176-F237 HydrophobicContact CB-CZ 3.81Å
177	T	87.3	Confident	96	Very high	118 Å²	118	61 Å²	61	72%	0.724	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.5	179.5	49.7	0	0	0	0	113.7
178	E	91.5	Very high	96	Very high	129 Å²	129	57.5 Å²	57.5	60%	0.603	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	1.8	177	-63.9	-174.4	-83.3	0	0	113.6	D176 K180	D176-E178 PolarHBondContact O-N 3.29Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 HydrophobicContact CB-CD 3.87Å; E178-K180 HydrophobicContact CB-CG 3.89Å; E178-K180 VanDerWaalsContact CD-CE 3.41Å; E178-K180 PolarHBondContact O-N 2.84Å; E178-K180 WeakPolarHBondContact OE1-CE 3.25Å; E178-K180 IonicContact OE1-NZ 2.71Å; E178-K180 PolarHBondContact OE1-NZ 2.84Å; E178-K180 WeakPolarHBondContact OE2-CE 3.48Å; E178-K180 IonicContact OE2-NZ 2.95Å; E178-K180 PolarHBondContact OE2-NZ 2.81Å
179	M	90.2	Very high	96	Very high	98 Å²	98	61.3 Å²	61.3	48%	0.483	29%	0.285	S	S	.	.			trans	56.5	33.1	179.8	-59	178.6	-78.6	0	0	114.5	D176 H185	D176-M179 PolarHBondContact O-N 2.96Å; D176-M179 VanDerWaalsContact O-N 3.11Å; D176-M179 WeakPolarHBondContact OD1-CA 3.44Å; D176-M179 PolarHBondContact OD1-N 2.69Å; D176-M179 VanDerWaalsContact OD1-N 3.09Å; D176-M179 VanDerWaalsContact OD2-C 3.32Å; D176-M179 WeakPolarHBondContact OD2-CA 3.35Å; M179-H185 HydrophobicContact SD-CB 4.28Å
180	K	93.1	Very high	96	Very high	106 Å²	106	62.6 Å²	62.6	46%	0.461	29%	0.291	S	S	.	.			trans	-85.4	-24.3	-174.9	-73.5	175.8	178.4	168.4	0	114.2	D176 E178 Y182	D176-K180 VanDerWaalsContact CG-N 3.35Å; D176-K180 PolarHBondContact OD1-N 2.68Å; D176-K180 PolarHBondContact OD2-N 2.7Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 HydrophobicContact CB-CD 3.87Å; E178-K180 HydrophobicContact CB-CG 3.89Å; E178-K180 VanDerWaalsContact CD-CE 3.41Å; E178-K180 PolarHBondContact O-N 2.84Å; E178-K180 WeakPolarHBondContact OE1-CE 3.25Å; E178-K180 IonicContact OE1-NZ 2.71Å; E178-K180 PolarHBondContact OE1-NZ 2.84Å; E178-K180 WeakPolarHBondContact OE2-CE 3.48Å; E178-K180 IonicContact OE2-NZ 2.95Å; E178-K180 PolarHBondContact OE2-NZ 2.81Å; K180-Y182 VanDerWaalsContact C-N 3.34Å; K180-Y182 PolarHBondContact O-N 2.71Å
181	Y	96.3	Very high	96.1	Very high	86 Å²	86	62.7 Å²	62.7	34%	0.337	29%	0.292	S	S	.	.	S	Bend	trans	-94.2	18.6	-168.9	-64.5	-67.8	0	0	0	114.5	D176 I183 T233 A234 F237	D176-Y181 HydrophobicContact CB-CD2 3.9Å; D176-Y181 WeakPolarHBondContact OD1-CD2 3.46Å; D176-Y181 PolarHBondContact OD2-N 3.45Å; Y181-I183 PolarHBondContact O-N 3.38Å; Y181-T233 HydrophobicContact CD1-CG2 4.17Å; Y181-A234 WeakPolarHBondContact O-CA 3.18Å; Y181-A234 WeakPolarHBondContact O-CB 3.37Å; Y181-F237 VanDerWaalsContact CB-CG 3.46Å; Y181-F237 HydrophobicContact CD1-CB 3.74Å; Y181-F237 AromaticContact CD1-CD2 3.96Å; Y181-F237 HydrophobicContact CD1-CD2 3.96Å; Y181-F237 HydrophobicContact CD1-CG 4.04Å; Y181-F237 AromaticContact CD2-CD2 3.35Å; Y181-F237 HydrophobicContact CD2-CD2 3.35Å; Y181-F237 AromaticContact CD2-CE2 3.51Å; Y181-F237 HydrophobicContact CD2-CE2 3.51Å; Y181-F237 AromaticContact CD2-CG 3.97Å; Y181-F237 HydrophobicContact CD2-CG 3.97Å; Y181-F237 HydrophobicContact CD2-CZ 4.25Å; Y181-F237 HydrophobicContact CE1-CD2 4.39Å; Y181-F237 AromaticContact CE2-CD2 3.85Å; Y181-F237 HydrophobicContact CE2-CD2 3.85Å; Y181-F237 HydrophobicContact CE2-CE2 4.02Å; Y181-F237 HydrophobicContact CG-CB 3.76Å; Y181-F237 HydrophobicContact CG-CD1 4.26Å; Y181-F237 AromaticContact CG-CD2 3.42Å; Y181-F237 HydrophobicContact CG-CD2 3.42Å; Y181-F237 VanDerWaalsContact CG-CD2 3.42Å; Y181-F237 HydrophobicContact CG-CE2 4Å; Y181-F237 AromaticContact CG-CG 3.56Å; Y181-F237 HydrophobicContact CG-CG 3.56Å
182	Y	98.2	Very high	96.1	Very high	69 Å²	69	61.8 Å²	61.8	27%	0.271	29%	0.286	S	S	.	.	S	Bend	trans	59.3	29.8	172.8	-44.1	-73.2	0	0	0	114.4	K180 Q230 T233 I265 K266 I267	K180-Y182 VanDerWaalsContact C-N 3.34Å; K180-Y182 PolarHBondContact O-N 2.71Å; Y182-Q230 HydrophobicContact CD1-CB 4.27Å; Y182-Q230 HydrophobicContact CD1-CG 4.21Å; Y182-Q230 HydrophobicContact CD2-CB 4.05Å; Y182-Q230 HydrophobicContact CD2-CG 4.48Å; Y182-Q230 VanDerWaalsContact CD2-O 3.3Å; Y182-Q230 WeakPolarHBondContact CD2-O 3.23Å; Y182-Q230 HydrophobicContact CE1-CB 4.27Å; Y182-Q230 HydrophobicContact CE1-CG 3.77Å; Y182-Q230 HydrophobicContact CE2-CB 4.04Å; Y182-Q230 HydrophobicContact CE2-CG 4.06Å; Y182-Q230 HydrophobicContact CG-CB 4.17Å; Y182-T233 HydrophobicContact CD2-CG2 4.24Å; Y182-T233 HydrophobicContact CE2-CG2 3.79Å; Y182-I265 WeakPolarHBondContact CD1-O 3.31Å; Y182-K266 CarbonylContact O-C 3.55Å; Y182-K266 VanDerWaalsContact O-CA 3.22Å; Y182-K266 WeakPolarHBondContact O-CA 3.09Å; Y182-I267 PolarHBondContact O-N 3.47Å
183	I	98.4	Very high	96.1	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-98.2	145.6	170.8	-47.2	-56.6	0	0	0	109	M172 Y181 A234 F237 L238 K266 F270	M172-I183 HydrophobicContact CE-CG2 3.88Å; M172-I183 HydrophobicContact SD-CG1 4.5Å; M172-I183 HydrophobicContact SD-CG2 3.95Å; Y181-I183 PolarHBondContact O-N 3.38Å; I183-A234 HydrophobicContact CD1-CB 4.32Å; I183-F237 HydrophobicContact CD1-CD1 4.35Å; I183-F237 HydrophobicContact CG1-CD1 3.86Å; I183-F237 HydrophobicContact CG1-CE1 3.88Å; I183-L238 HydrophobicContact CD1-CD2 4.02Å; I183-L238 HydrophobicContact CD1-CG 4.44Å; I183-K266 PolarHBondContact O-NZ 3.15Å; I183-F270 HydrophobicContact CD1-CZ 4.15Å; I183-F270 HydrophobicContact CG2-CE2 3.83Å; I183-F270 HydrophobicContact CG2-CZ 3.87Å
184	V	98.1	Very high	96.2	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.03	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.3	141.7	172.5	70	0	0	0	0	111.5	L169 N173 F200 E201 L203 I267 V268	L169-V184 HydrophobicContact CD2-CG1 3.96Å; N173-V184 PolarHBondContact ND2-O 2.95Å; V184-F200 HydrophobicContact CG1-CD1 4.02Å; V184-F200 HydrophobicContact CG1-CE1 3.92Å; V184-F200 HydrophobicContact CG2-CB 4.22Å; V184-F200 HydrophobicContact CG2-CD1 3.74Å; V184-F200 HydrophobicContact CG2-CE1 4.48Å; V184-F200 HydrophobicContact CG2-CG 4.3Å; V184-E201 HydrophobicContact CG2-CG 4.11Å; V184-L203 HydrophobicContact CG2-CD1 4.02Å; V184-I267 WeakPolarHBondContact CB-O 3.34Å; V184-I267 WeakPolarHBondContact CG1-O 3.34Å; V184-I267 PolarHBondContact N-O 3Å; V184-I267 VanDerWaalsContact N-O 3.12Å; V184-V268 HydrophobicContact CB-CG1 4.01Å; V184-V268 HydrophobicContact CG1-CB 4.44Å; V184-V268 HydrophobicContact CG1-CG1 4.24Å; V184-V268 HydrophobicContact CG2-CG1 4.25Å
185	H	97.8	Very high	96.3	Very high	57 Å²	57	61.9 Å²	61.9	26%	0.264	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-93.1	117.3	-179.5	-177.4	64.5	0	0	0	111.1	M179 K187 F200 E201	M179-H185 HydrophobicContact SD-CB 4.28Å; H185-K187 PolarHBondContact O-N 2.69Å; H185-F200 WeakPolarHBondContact O-CA 3.38Å; H185-E201 VanDerWaalsContact CB-OE1 3.27Å; H185-E201 WeakPolarHBondContact CB-OE1 3.39Å; H185-E201 PolarHBondContact N-OE1 2.67Å; H185-E201 PolarHBondContact O-N 2.76Å
186	L	98.2	Very high	96.5	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	105.8	170.1	178.6	64.2	0	0	0	108.7	V166 L169 E170 N173 R188 L198 F200	V166-L186 HydrophobicContact CB-CD2 4.47Å; V166-L186 HydrophobicContact CG1-CD2 4.23Å; V166-L186 HydrophobicContact CG2-CD2 4.37Å; L169-L186 HydrophobicContact CB-CB 3.95Å; L169-L186 HydrophobicContact CB-CD2 3.79Å; L169-L186 HydrophobicContact CD1-CB 4.29Å; L169-L186 HydrophobicContact CD1-CD2 4.1Å; E170-L186 HydrophobicContact CG-CD2 4.25Å; N173-L186 PolarHBondContact OD1-N 3.47Å; L186-R188 WeakPolarHBondContact CD1-O 3.06Å; L186-L198 HydrophobicContact CD1-CB 3.75Å; L186-L198 HydrophobicContact CD1-CD2 4.18Å; L186-L198 HydrophobicContact CD1-CG 4.07Å; L186-F200 HydrophobicContact CB-CD1 4.38Å; L186-F200 HydrophobicContact CB-CE1 4.14Å; L186-F200 HydrophobicContact CD1-CD1 4.33Å; L186-F200 HydrophobicContact CD1-CE1 3.98Å; L186-F200 HydrophobicContact CD1-CZ 4.11Å
187	K	97.8	Very high	96.7	Very high	56 Å²	56	58.5 Å²	58.5	24%	0.243	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-35.3	-179.1	-70.3	172.6	170.1	-80.2	0	112.7	E145 V147 H185 V199	E145-K187 VanDerWaalsContact OE1-CE 3.23Å; E145-K187 WeakPolarHBondContact OE1-CE 3.33Å; E145-K187 IonicContact OE1-NZ 3.21Å; E145-K187 PolarHBondContact OE1-NZ 3.03Å; E145-K187 VanDerWaalsContact OE2-CE 3.28Å; E145-K187 WeakPolarHBondContact OE2-CE 3.47Å; E145-K187 IonicContact OE2-NZ 2.67Å; E145-K187 PolarHBondContact OE2-NZ 3.31Å; V147-K187 HydrophobicContact CG1-CD 4.07Å; H185-K187 PolarHBondContact O-N 2.69Å; K187-V199 HydrophobicContact CB-CG1 4.45Å; K187-V199 WeakPolarHBondContact CB-O 3.19Å; K187-V199 PolarHBondContact N-O 3.26Å
188	R	98.3	Very high	97.2	Very high	64 Å²	64	52.9 Å²	52.9	24%	0.242	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	167.8	175.8	56.3	-155.4	89.4	89.7	-7.7	110.9	R120 Y121 D140 E143 L186 V199	R120-R188 VanDerWaalsContact NH2-NH1 3.18Å; Y121-R188 WeakPolarHBondContact OH-CD 3.11Å; Y121-R188 PolarHBondContact OH-NH1 3.4Å; D140-R188 IonicContact OD2-CZ 3.43Å; D140-R188 IonicContact OD2-NH1 3.44Å; D140-R188 PolarHBondContact OD2-NH1 2.62Å; D140-R188 IonicContact OD2-NH2 3.44Å; E143-R188 IonicContact OE1-CZ 3.73Å; E143-R188 IonicContact OE1-NH2 3.98Å; E143-R188 PolarHBondContact OE1-NH2 3.28Å; L186-R188 WeakPolarHBondContact CD1-O 3.06Å; R188-V199 HydrophobicContact CG-CB 4.1Å; R188-V199 HydrophobicContact CG-CG2 4.09Å; R188-V199 WeakPolarHBondContact O-CB 3.42Å; R188-V199 PolarHBondContact O-N 3.23Å
189	H	98.7	Very high	97.6	Very high	84 Å²	84	46.8 Å²	46.8	39%	0.389	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.6	167.8	74.2	87.7	0	0	0	111.1	V166 E170 L196 C197 L198	V166-H189 HydrophobicContact CG2-CB 4.22Å; E170-H189 IonicContact OE1-CD2 3.75Å; E170-H189 IonicContact OE1-NE2 2.82Å; H189-L196 HydrophobicContact CB-CD1 4.46Å; H189-C197 CarbonylContact C-O 3.54Å; H189-C197 WeakPolarHBondContact CA-O 3.42Å; H189-L198 HydrophobicContact CB-CG 4.33Å
190	F	98.6	Very high	98	Very high	28 Å²	28	42.9 Å²	42.9	12%	0.123	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	167.6	176	58.9	-95.3	0	0	0	112	W117 M118 Y121 F192 C197 V199	W117-F190 HydrophobicContact CE3-CE2 4.07Å; W117-F190 HydrophobicContact CE3-CZ 4.11Å; W117-F190 HydrophobicContact CZ3-CE2 4.35Å; W117-F190 HydrophobicContact CZ3-CZ 4.41Å; M118-F190 HydrophobicContact CE-CD1 3.96Å; M118-F190 HydrophobicContact CE-CD2 3.5Å; M118-F190 HydrophobicContact CE-CE1 3.87Å; M118-F190 HydrophobicContact CE-CE2 3.42Å; M118-F190 VanDerWaalsContact CE-CE2 3.42Å; M118-F190 HydrophobicContact CE-CG 3.78Å; M118-F190 HydrophobicContact CE-CZ 3.61Å; M118-F190 HydrophobicContact SD-CD2 4.08Å; M118-F190 HydrophobicContact SD-CE2 4.36Å; Y121-F190 AromaticContact CD2-CE1 3.98Å; Y121-F190 HydrophobicContact CD2-CE1 3.98Å; Y121-F190 AromaticContact CD2-CZ 3.91Å; Y121-F190 HydrophobicContact CD2-CZ 3.91Å; Y121-F190 HydrophobicContact CE2-CD1 4.19Å; Y121-F190 AromaticContact CE2-CE1 3.39Å; Y121-F190 HydrophobicContact CE2-CE1 3.39Å; Y121-F190 AromaticContact CE2-CZ 3.8Å; Y121-F190 HydrophobicContact CE2-CZ 3.8Å; Y121-F190 AromaticContact CZ-CE1 3.93Å; F190-F192 HydrophobicContact CD2-CB 3.91Å; F190-F192 HydrophobicContact CE2-CB 3.71Å; F190-F192 HydrophobicContact CE2-CG 4.49Å; F190-C197 HydrophobicContact CD1-CB 4.46Å; F190-C197 HydrophobicContact CD2-CB 3.87Å; F190-C197 HydrophobicContact CE1-CB 4.16Å; F190-C197 HydrophobicContact CE2-CB 3.51Å; F190-C197 HydrophobicContact CG-CB 4.33Å; F190-C197 HydrophobicContact CZ-CB 3.68Å; F190-C197 PolarHBondContact N-O 3.04Å; F190-C197 PolarHBondContact O-N 2.84Å; F190-V199 HydrophobicContact CD1-CG2 4.08Å; F190-V199 HydrophobicContact CE1-CG2 3.51Å
191	M	98.4	Very high	98.2	Very high	101 Å²	101	39.5 Å²	39.5	50%	0.498	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.6	172.6	-170	60.2	49.1	0	0	109.4	L159 H195 L196	L159-M191 HydrophobicContact CD1-CE 4.09Å; M191-H195 WeakPolarHBondContact CA-O 3.15Å; M191-L196 HydrophobicContact CE-CB 3.84Å; M191-L196 HydrophobicContact CE-CD1 4.08Å
192	F	98.3	Very high	98.3	Very high	27 Å²	27	38.2 Å²	38.2	12%	0.118	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	122.8	176.6	-179.8	-100.6	0	0	0	110.4	Y109 W117 M118 F190 N194 H195	Y109-F192 HydrophobicContact CE2-CE1 4.5Å; W117-F192 HydrophobicContact CB-CD2 4.49Å; W117-F192 HydrophobicContact CB-CE1 4.47Å; W117-F192 HydrophobicContact CB-CE2 4.07Å; W117-F192 HydrophobicContact CB-CZ 4.06Å; W117-F192 AromaticContact CD1-CE1 3.63Å; W117-F192 AromaticContact CD1-CZ 3.53Å; W117-F192 AromaticContact CD2-CD1 3.64Å; W117-F192 HydrophobicContact CD2-CD1 3.64Å; W117-F192 AromaticContact CD2-CE1 3.44Å; W117-F192 HydrophobicContact CD2-CE1 3.44Å; W117-F192 VanDerWaalsContact CD2-CE1 3.44Å; W117-F192 HydrophobicContact CD2-CG 4.26Å; W117-F192 AromaticContact CD2-CZ 3.92Å; W117-F192 HydrophobicContact CD2-CZ 3.92Å; W117-F192 AromaticContact CE2-CD1 3.78Å; W117-F192 AromaticContact CE2-CE1 3.34Å; W117-F192 AromaticContact CE3-CD1 3.73Å; W117-F192 HydrophobicContact CE3-CD1 3.73Å; W117-F192 HydrophobicContact CE3-CE1 4.06Å; W117-F192 HydrophobicContact CE3-CG 4.12Å; W117-F192 HydrophobicContact CG-CD1 4.18Å; W117-F192 AromaticContact CG-CE1 3.64Å; W117-F192 HydrophobicContact CG-CE1 3.64Å; W117-F192 HydrophobicContact CG-CE2 4.08Å; W117-F192 AromaticContact CG-CZ 3.58Å; W117-F192 HydrophobicContact CG-CZ 3.58Å; W117-F192 HydrophobicContact CH2-CD1 4.04Å; W117-F192 HydrophobicContact CH2-CE1 4.39Å; W117-F192 AromaticContact CZ2-CD1 3.99Å; W117-F192 HydrophobicContact CZ2-CD1 3.99Å; W117-F192 AromaticContact CZ2-CE1 3.86Å; W117-F192 HydrophobicContact CZ2-CE1 3.86Å; W117-F192 AromaticContact CZ3-CD1 3.94Å; W117-F192 HydrophobicContact CZ3-CD1 3.94Å; W117-F192 HydrophobicContact CZ3-CE1 4.49Å; W117-F192 AromaticContact NE1-CE1 3.47Å; W117-F192 AromaticContact NE1-CZ 3.86Å; M118-F192 HydrophobicContact CG-CD2 4.18Å; M118-F192 HydrophobicContact CG-CE2 4.45Å; F190-F192 HydrophobicContact CD2-CB 3.91Å; F190-F192 HydrophobicContact CE2-CB 3.71Å; F190-F192 HydrophobicContact CE2-CG 4.49Å; F192-N194 VanDerWaalsContact C-N 3.26Å; F192-N194 PolarHBondContact O-N 3.3Å; F192-H195 PolarHBondContact N-O 2.94Å; F192-H195 WeakPolarHBondContact O-CB 3.09Å; F192-H195 PolarHBondContact O-N 3.47Å
193	R	97.4	Very high	98.2	Very high	77 Å²	77	36 Å²	36	29%	0.291	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	49.4	-178.3	-63.6	177.5	172.3	157.6	-0.4	112.3	N99 Y102 Y109 E115 H195	N99-R193 PolarHBondContact ND2-O 3.14Å; Y102-R193 HydrophobicContact CD2-CB 4.29Å; Y102-R193 HydrophobicContact CD2-CG 4.18Å; Y102-R193 HydrophobicContact CE2-CG 4.24Å; Y102-R193 HydrophobicContact CG-CG 4.49Å; Y109-R193 HydrophobicContact CE2-CB 4.49Å; Y109-R193 PolarHBondContact OH-NH1 3.38Å; E115-R193 IonicContact OE1-CZ 2.74Å; E115-R193 IonicContact OE1-NH1 3.69Å; E115-R193 PolarHBondContact OE1-NH1 2.9Å; E115-R193 IonicContact OE1-NH2 3.8Å; E115-R193 IonicContact OE2-NH1 2.72Å; R193-H195 PolarHBondContact O-CD2 2.76Å; R193-H195 PolarHBondContact O-N 3.43Å; R193-H195 VanDerWaalsContact O-N 3.16Å
194	N	97.8	Very high	98.1	Very high	97 Å²	97	37.6 Å²	37.6	52%	0.519	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	4.8	-177.7	-56.4	-45.6	0	0	0	117	N99 F192	N99-N194 PolarHBondContact OD1-ND2 2.98Å; F192-N194 VanDerWaalsContact C-N 3.26Å; F192-N194 PolarHBondContact O-N 3.3Å
195	H	98.6	Very high	97.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.3	168.2	-65.4	-86.3	0	0	0	111.8	D103 Y109 I151 I152 M191 F192 R193	D103-H195 IonicContact OD1-CD2 3.92Å; D103-H195 IonicContact OD1-CE1 3.02Å; D103-H195 IonicContact OD1-NE2 3.72Å; D103-H195 PolarHBondContact OD1-NE2 2.76Å; D103-H195 IonicContact OD2-NE2 3.64Å; Y109-H195 AromaticContact CD2-CD2 3.68Å; Y109-H195 AromaticContact CD2-NE2 3.71Å; Y109-H195 PolarHBondContact N-CE1 3.32Å; I151-H195 HydrophobicContact CG2-CB 3.77Å; I152-H195 PolarHBondContact O-ND1 3.15Å; M191-H195 WeakPolarHBondContact CA-O 3.15Å; F192-H195 PolarHBondContact N-O 2.94Å; F192-H195 WeakPolarHBondContact O-CB 3.09Å; F192-H195 PolarHBondContact O-N 3.47Å; R193-H195 PolarHBondContact O-CD2 2.76Å; R193-H195 PolarHBondContact O-N 3.43Å; R193-H195 VanDerWaalsContact O-N 3.16Å
196	L	98.6	Very high	97.9	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.7	163.4	179.6	63	0	0	0	108.6	I152 L159 A162 Q163 H189 M191 L198	I152-L196 HydrophobicContact CB-CB 4.26Å; I152-L196 WeakPolarHBondContact CB-O 3.44Å; I152-L196 HydrophobicContact CG1-CB 4.38Å; I152-L196 WeakPolarHBondContact CG1-O 3.34Å; I152-L196 PolarHBondContact N-O 2.95Å; L159-L196 HydrophobicContact CD1-CB 3.7Å; L159-L196 HydrophobicContact CD1-CD2 3.9Å; L159-L196 HydrophobicContact CD1-CG 4.36Å; A162-L196 HydrophobicContact CB-CD2 3.83Å; Q163-L196 HydrophobicContact CG-CD2 4.4Å; H189-L196 HydrophobicContact CB-CD1 4.46Å; M191-L196 HydrophobicContact CE-CB 3.84Å; M191-L196 HydrophobicContact CE-CD1 4.08Å; L196-L198 HydrophobicContact CD2-CD1 4.12Å; L196-L198 HydrophobicContact CG-CD1 3.87Å
197	C	98.8	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.8	-177.3	-66.7	0	0	0	0	109.6	I149 K150 H189 F190	I149-C197 HydrophobicContact CG2-CB 3.96Å; K150-C197 WeakPolarHBondContact O-CA 3.28Å; H189-C197 CarbonylContact C-O 3.54Å; H189-C197 WeakPolarHBondContact CA-O 3.42Å; F190-C197 HydrophobicContact CD1-CB 4.46Å; F190-C197 HydrophobicContact CD2-CB 3.87Å; F190-C197 HydrophobicContact CE1-CB 4.16Å; F190-C197 HydrophobicContact CE2-CB 3.51Å; F190-C197 HydrophobicContact CG-CB 4.33Å; F190-C197 HydrophobicContact CZ-CB 3.68Å; F190-C197 PolarHBondContact N-O 3.04Å; F190-C197 PolarHBondContact O-N 2.84Å
198	L	98.8	Very high	97.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.2	175.8	-71.9	71.9	0	0	0	108.8	I149 K150 I152 E165 V166 L169 L186 H189 L196 F200	I149-L198 CarbonylContact C-O 3.51Å; I149-L198 WeakPolarHBondContact CA-O 3.27Å; K150-L198 HydrophobicContact CB-CB 4.3Å; K150-L198 PolarHBondContact N-O 2.92Å; K150-L198 PolarHBondContact O-N 2.96Å; I152-L198 HydrophobicContact CD1-CD1 4.41Å; I152-L198 HydrophobicContact CG1-CD1 3.91Å; E165-L198 HydrophobicContact CG-CD2 4.22Å; V166-L198 HydrophobicContact CG2-CD1 4.09Å; V166-L198 HydrophobicContact CG2-CD2 3.71Å; V166-L198 HydrophobicContact CG2-CG 3.78Å; L169-L198 HydrophobicContact CD1-CD2 4.12Å; L186-L198 HydrophobicContact CD1-CB 3.75Å; L186-L198 HydrophobicContact CD1-CD2 4.18Å; L186-L198 HydrophobicContact CD1-CG 4.07Å; H189-L198 HydrophobicContact CB-CG 4.33Å; L196-L198 HydrophobicContact CD2-CD1 4.12Å; L196-L198 HydrophobicContact CG-CD1 3.87Å; L198-F200 HydrophobicContact CB-CD2 4.28Å; L198-F200 HydrophobicContact CB-CE2 3.51Å; L198-F200 HydrophobicContact CB-CZ 3.91Å; L198-F200 HydrophobicContact CD2-CE2 4.14Å; L198-F200 HydrophobicContact CD2-CZ 3.77Å; L198-F200 HydrophobicContact CG-CE2 4.49Å
199	V	98.8	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.9	-179.2	-172.2	0	0	0	0	109.7	Y121 V147 I149 K187 R188 F190	Y121-V199 HydrophobicContact CE1-CG1 4.23Å; Y121-V199 HydrophobicContact CE1-CG2 4.32Å; V147-V199 HydrophobicContact CB-CG1 3.74Å; V147-V199 HydrophobicContact CG1-CG1 3.9Å; V147-V199 HydrophobicContact CG2-CG1 3.91Å; I149-V199 HydrophobicContact CG1-CG1 4.49Å; I149-V199 HydrophobicContact CG1-CG2 4.33Å; K187-V199 HydrophobicContact CB-CG1 4.45Å; K187-V199 WeakPolarHBondContact CB-O 3.19Å; K187-V199 PolarHBondContact N-O 3.26Å; R188-V199 HydrophobicContact CG-CB 4.1Å; R188-V199 HydrophobicContact CG-CG2 4.09Å; R188-V199 WeakPolarHBondContact O-CB 3.42Å; R188-V199 PolarHBondContact O-N 3.23Å; F190-V199 HydrophobicContact CD1-CG2 4.08Å; F190-V199 HydrophobicContact CE1-CG2 3.51Å
200	F	98.6	Very high	97.8	Very high	16 Å²	16	35 Å²	35	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	162.4	-178.6	-63.3	-83.1	0	0	0	111.9	V147 A148 K150 L169 V184 H185 L186 L198	V147-F200 WeakPolarHBondContact CB-O 2.99Å; A148-F200 HydrophobicContact CB-CB 4.48Å; A148-F200 PolarHBondContact N-O 3.18Å; A148-F200 VanDerWaalsContact N-O 3.15Å; A148-F200 PolarHBondContact O-N 3.36Å; K150-F200 HydrophobicContact CB-CD2 4.34Å; K150-F200 HydrophobicContact CB-CE2 3.82Å; K150-F200 HydrophobicContact CD-CE2 4.23Å; L169-F200 HydrophobicContact CD1-CE1 3.64Å; L169-F200 HydrophobicContact CD1-CZ 3.75Å; L169-F200 HydrophobicContact CD2-CE1 4.27Å; V184-F200 HydrophobicContact CG1-CD1 4.02Å; V184-F200 HydrophobicContact CG1-CE1 3.92Å; V184-F200 HydrophobicContact CG2-CB 4.22Å; V184-F200 HydrophobicContact CG2-CD1 3.74Å; V184-F200 HydrophobicContact CG2-CE1 4.48Å; V184-F200 HydrophobicContact CG2-CG 4.3Å; H185-F200 WeakPolarHBondContact O-CA 3.38Å; L186-F200 HydrophobicContact CB-CD1 4.38Å; L186-F200 HydrophobicContact CB-CE1 4.14Å; L186-F200 HydrophobicContact CD1-CD1 4.33Å; L186-F200 HydrophobicContact CD1-CE1 3.98Å; L186-F200 HydrophobicContact CD1-CZ 4.11Å; L198-F200 HydrophobicContact CB-CD2 4.28Å; L198-F200 HydrophobicContact CB-CE2 3.51Å; L198-F200 HydrophobicContact CB-CZ 3.91Å; L198-F200 HydrophobicContact CD2-CE2 4.14Å; L198-F200 HydrophobicContact CD2-CZ 3.77Å; L198-F200 HydrophobicContact CG-CE2 4.49Å
201	E	97.6	Very high	97.8	Very high	35 Å²	35	33.7 Å²	33.7	16%	0.164	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	144.1	160	71.9	-168.3	113.1	0	0	111.3	V184 H185 L203 K266	V184-E201 HydrophobicContact CG2-CG 4.11Å; H185-E201 VanDerWaalsContact CB-OE1 3.27Å; H185-E201 WeakPolarHBondContact CB-OE1 3.39Å; H185-E201 PolarHBondContact N-OE1 2.67Å; H185-E201 PolarHBondContact O-N 2.76Å; E201-L203 HydrophobicContact CG-CD2 3.85Å; E201-L203 HydrophobicContact CG-CG 4.08Å; E201-L203 PolarHBondContact O-N 2.88Å; E201-K266 WeakPolarHBondContact OE1-CD 3.32Å; E201-K266 VanDerWaalsContact OE1-CE 3.31Å; E201-K266 WeakPolarHBondContact OE1-CE 3.42Å; E201-K266 IonicContact OE1-NZ 2.76Å; E201-K266 PolarHBondContact OE1-NZ 3.13Å; E201-K266 WeakPolarHBondContact OE2-CD 3.46Å; E201-K266 WeakPolarHBondContact OE2-CE 3.37Å; E201-K266 IonicContact OE2-NZ 3.44Å; E201-K266 PolarHBondContact OE2-NZ 2.92Å
202	M	97.9	Very high	97.7	Very high	59 Å²	59	34.7 Å²	34.7	29%	0.291	16%	0.159	S	C	.	.			trans	-77.2	117	173.4	179.2	60.2	72.9	0	0	110.3	I127 K137 W146 V147 A148	I127-M202 HydrophobicContact CD1-CE 4.15Å; I127-M202 HydrophobicContact CD1-SD 4.2Å; K137-M202 HydrophobicContact CB-CE 3.74Å; K137-M202 HydrophobicContact CD-CE 4.03Å; K137-M202 HydrophobicContact CG-CE 3.62Å; W146-M202 HydrophobicContact CB-CB 4.38Å; W146-M202 VanDerWaalsContact O-CB 3.31Å; W146-M202 WeakPolarHBondContact O-CB 3.5Å; V147-M202 VanDerWaalsContact O-CE 3.3Å; V147-M202 WeakPolarHBondContact O-CE 3.34Å; A148-M202 HydrophobicContact CB-CE 4.31Å; A148-M202 HydrophobicContact CB-SD 4.45Å
203	L	97.8	Very high	97.6	Very high	24 Å²	24	38.2 Å²	38.2	13%	0.126	18%	0.18	C	C	.	.			trans	-99.9	174.7	172.9	-60.4	179.3	0	0	0	111.2	V184 E201 L256 C258 K266 V268	V184-L203 HydrophobicContact CG2-CD1 4.02Å; E201-L203 HydrophobicContact CG-CD2 3.85Å; E201-L203 HydrophobicContact CG-CG 4.08Å; E201-L203 PolarHBondContact O-N 2.88Å; L203-L256 HydrophobicContact CB-CB 4.01Å; L203-L256 HydrophobicContact CB-CD2 3.87Å; L203-L256 HydrophobicContact CD1-CB 3.86Å; L203-L256 HydrophobicContact CD1-CD2 4.2Å; L203-C258 HydrophobicContact CD2-CB 4.46Å; L203-K266 HydrophobicContact CD1-CB 3.94Å; L203-K266 HydrophobicContact CD2-CD 3.89Å; L203-V268 HydrophobicContact CD1-CG1 3.86Å
204	S	96.3	Very high	97.5	Very high	34 Å²	34	36.1 Å²	36.1	24%	0.238	18%	0.176	C	C	.	.			trans	-98.1	-162.4	175.9	-154.6	0	0	0	0	111.7	L256 L257 P260	S204-L256 WeakPolarHBondContact O-CD2 3.22Å; S204-L257 WeakPolarHBondContact CA-O 3.31Å; S204-L257 WeakPolarHBondContact CB-O 3.47Å; S204-L257 PolarHBondContact N-O 3.25Å; S204-P260 WeakPolarHBondContact OG-CB 3.37Å; S204-P260 WeakPolarHBondContact OG-CD 3.4Å
205	Y	92.8	Very high	97.5	Very high	71 Å²	71	37.6 Å²	37.6	28%	0.278	18%	0.183	S	C	.	.			trans	-62.9	152.5	-178.2	59.1	-93.6	0	0	0	112.9	D209 L210 L257 P260	Y205-D209 HydrophobicContact CD2-CB 4.37Å; Y205-L210 HydrophobicContact CD2-CB 4.22Å; Y205-L210 HydrophobicContact CE2-CB 3.85Å; Y205-L210 HydrophobicContact CE2-CD1 3.95Å; Y205-L210 HydrophobicContact CE2-CG 4.41Å; Y205-L257 HydrophobicContact CD2-CD1 4Å; Y205-L257 HydrophobicContact CE1-CD1 4.31Å; Y205-L257 HydrophobicContact CE2-CD1 3.38Å; Y205-L257 PolarHBondContact O-N 3.27Å; Y205-P260 HydrophobicContact CD1-CB 4.17Å; Y205-P260 HydrophobicContact CE1-CB 3.53Å; Y205-P260 PolarHBondContact OH-O 2.99Å
206	N	97.9	Very high	97.5	Very high	29 Å²	29	41.8 Å²	41.8	16%	0.155	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-79.9	169.6	179.2	62.8	68.9	0	0	0	112.2	Y208 D209 L210 E253 I255 L256	N206-Y208 VanDerWaalsContact C-N 3.3Å; N206-Y208 PolarHBondContact O-N 3.47Å; N206-Y208 WeakPolarHBondContact OD1-CA 3.45Å; N206-Y208 VanDerWaalsContact OD1-CB 3.28Å; N206-Y208 WeakPolarHBondContact OD1-CB 3.32Å; N206-Y208 PolarHBondContact OD1-N 3.41Å; N206-D209 PolarHBondContact ND2-OD2 3.45Å; N206-D209 PolarHBondContact O-N 2.73Å; N206-D209 PolarHBondContact OD1-N 2.62Å; N206-D209 PolarHBondContact OD1-OD2 2.62Å; N206-L210 PolarHBondContact O-N 3.31Å; N206-E253 WeakPolarHBondContact CB-O 3.43Å; N206-I255 CarbonylContact C-O 3.53Å; N206-I255 VanDerWaalsContact CA-O 3.27Å; N206-I255 WeakPolarHBondContact CA-O 3.41Å; N206-L256 HydrophobicContact CB-CD1 3.75Å; N206-L256 HydrophobicContact CB-CG 4.01Å
207	L	98.5	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.6	-22.4	-178.5	-64.7	-171.2	0	0	0	113.8	L210 L211 F227 P252 I255 L257 I265 M316	L207-L210 HydrophobicContact CD2-CD2 3.89Å; L207-L210 WeakPolarHBondContact O-CB 3.22Å; L207-L210 PolarHBondContact O-N 2.86Å; L207-L211 PolarHBondContact O-N 3.48Å; L207-F227 HydrophobicContact CD1-CD2 4.34Å; L207-F227 HydrophobicContact CD1-CG 4.39Å; L207-F227 HydrophobicContact CD2-CD1 4.45Å; L207-F227 HydrophobicContact CD2-CD2 4.33Å; L207-F227 HydrophobicContact CD2-CE1 3.98Å; L207-F227 HydrophobicContact CD2-CE2 3.83Å; L207-F227 HydrophobicContact CD2-CZ 3.64Å; L207-P252 HydrophobicContact CB-CB 4Å; L207-P252 WeakPolarHBondContact CB-O 3.23Å; L207-P252 PolarHBondContact N-O 2.79Å; L207-I255 HydrophobicContact CD1-CB 3.87Å; L207-I255 HydrophobicContact CD1-CD1 4.22Å; L207-I255 HydrophobicContact CD1-CG2 3.55Å; L207-I255 HydrophobicContact CG-CB 4.01Å; L207-I255 HydrophobicContact CG-CG2 3.86Å; L207-I255 PolarHBondContact N-O 3.06Å; L207-L257 HydrophobicContact CD2-CD2 4.22Å; L207-L257 HydrophobicContact CD2-CG 4.48Å; L207-I265 HydrophobicContact CD2-CG2 4.33Å; L207-M316 HydrophobicContact CB-CE 3.94Å; L207-M316 HydrophobicContact CB-SD 3.73Å; L207-M316 HydrophobicContact CD1-CE 4.36Å; L207-M316 HydrophobicContact CD1-SD 4.16Å; L207-M316 HydrophobicContact CD2-CE 4.25Å; L207-M316 HydrophobicContact CG-CE 4.41Å; L207-M316 HydrophobicContact CG-SD 4.48Å
208	Y	97.9	Very high	97.5	Very high	64 Å²	64	48.8 Å²	48.8	25%	0.251	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-41.7	170.7	-175.2	-95.3	0	0	0	111.7	N206 L210 L211 R212 F216 P252 E253	N206-Y208 VanDerWaalsContact C-N 3.3Å; N206-Y208 PolarHBondContact O-N 3.47Å; N206-Y208 WeakPolarHBondContact OD1-CA 3.45Å; N206-Y208 VanDerWaalsContact OD1-CB 3.28Å; N206-Y208 WeakPolarHBondContact OD1-CB 3.32Å; N206-Y208 PolarHBondContact OD1-N 3.41Å; Y208-L210 VanDerWaalsContact C-N 3.32Å; Y208-L210 PolarHBondContact O-N 3.34Å; Y208-L211 WeakPolarHBondContact O-CB 3.44Å; Y208-L211 PolarHBondContact O-N 2.96Å; Y208-L211 VanDerWaalsContact O-N 3.13Å; Y208-R212 PolarHBondContact O-N 3.05Å; Y208-F216 HydrophobicContact CE1-CZ 4.49Å; Y208-F216 HydrophobicContact CE2-CE1 4.11Å; Y208-P252 PolarHBondContact N-O 3.48Å; Y208-E253 HydrophobicContact CG-CG 4.33Å
209	D	97.1	Very high	97.4	Very high	42 Å²	42	49.2 Å²	49.2	23%	0.225	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-31.3	173.2	-76.4	-49.7	0	0	0	112.1	Y205 N206 R212 N213	Y205-D209 HydrophobicContact CD2-CB 4.37Å; N206-D209 PolarHBondContact ND2-OD2 3.45Å; N206-D209 PolarHBondContact O-N 2.73Å; N206-D209 PolarHBondContact OD1-N 2.62Å; N206-D209 PolarHBondContact OD1-OD2 2.62Å; D209-R212 PolarHBondContact O-N 3.13Å; D209-R212 IonicContact OD1-CZ 2.77Å; D209-R212 IonicContact OD1-NH1 3.19Å; D209-R212 PolarHBondContact OD1-NH1 2.92Å; D209-N213 WeakPolarHBondContact O-CB 3.46Å; D209-N213 PolarHBondContact O-N 2.88Å; D209-N213 PolarHBondContact O-ND2 3.22Å
210	L	97.4	Very high	97.4	Very high	20 Å²	20	51.2 Å²	51.2	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-44.1	167.1	-178.7	57.4	0	0	0	111.4	Y205 N206 L207 Y208 N213 T214 V219 F227 M316	Y205-L210 HydrophobicContact CD2-CB 4.22Å; Y205-L210 HydrophobicContact CE2-CB 3.85Å; Y205-L210 HydrophobicContact CE2-CD1 3.95Å; Y205-L210 HydrophobicContact CE2-CG 4.41Å; N206-L210 PolarHBondContact O-N 3.31Å; L207-L210 HydrophobicContact CD2-CD2 3.89Å; L207-L210 WeakPolarHBondContact O-CB 3.22Å; L207-L210 PolarHBondContact O-N 2.86Å; Y208-L210 VanDerWaalsContact C-N 3.32Å; Y208-L210 PolarHBondContact O-N 3.34Å; L210-N213 WeakPolarHBondContact O-CB 3.43Å; L210-N213 PolarHBondContact O-N 2.78Å; L210-T214 PolarHBondContact O-N 3.13Å; L210-T214 VanDerWaalsContact O-N 3.08Å; L210-V219 HydrophobicContact CD2-CG1 4Å; L210-V219 HydrophobicContact CG-CG1 4.04Å; L210-F227 HydrophobicContact CD2-CE2 3.71Å; L210-F227 HydrophobicContact CD2-CZ 3.64Å; L210-M316 HydrophobicContact CD2-CE 4.06Å; L210-M316 HydrophobicContact CG-CE 4.49Å
211	L	97.9	Very high	97.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-43.6	175.8	-78.8	178.5	0	0	0	112.6	L207 Y208 N213 T214 N215 F216 E315 M316	L207-L211 PolarHBondContact O-N 3.48Å; Y208-L211 WeakPolarHBondContact O-CB 3.44Å; Y208-L211 PolarHBondContact O-N 2.96Å; Y208-L211 VanDerWaalsContact O-N 3.13Å; L211-N213 VanDerWaalsContact C-N 3.27Å; L211-N213 PolarHBondContact O-N 3.03Å; L211-T214 CarbonylContact O-C 3.59Å; L211-T214 WeakPolarHBondContact O-CA 3.27Å; L211-T214 PolarHBondContact O-N 3.02Å; L211-T214 PolarHBondContact O-OG1 3.33Å; L211-N215 PolarHBondContact O-N 2.95Å; L211-F216 HydrophobicContact CB-CD1 4.18Å; L211-F216 HydrophobicContact CB-CE1 4.29Å; L211-F216 PolarHBondContact O-N 2.96Å; L211-E315 HydrophobicContact CD1-CG 3.76Å; L211-M316 HydrophobicContact CD1-SD 3.8Å; L211-M316 HydrophobicContact CD2-CE 4.2Å; L211-M316 HydrophobicContact CD2-SD 4.42Å; L211-M316 HydrophobicContact CG-CE 3.97Å; L211-M316 HydrophobicContact CG-SD 3.89Å
212	R	97.2	Very high	97.4	Very high	121 Å²	121	50.7 Å²	50.7	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-55.4	-42.4	171.6	177.1	-177.4	-86.6	150.1	-12.8	111.3	Y208 D209 T214 N215 F216	Y208-R212 PolarHBondContact O-N 3.05Å; D209-R212 PolarHBondContact O-N 3.13Å; D209-R212 IonicContact OD1-CZ 2.77Å; D209-R212 IonicContact OD1-NH1 3.19Å; D209-R212 PolarHBondContact OD1-NH1 2.92Å; R212-T214 VanDerWaalsContact C-N 3.3Å; R212-T214 PolarHBondContact O-N 2.86Å; R212-N215 WeakPolarHBondContact O-CA 3.14Å; R212-N215 PolarHBondContact O-N 2.69Å; R212-F216 HydrophobicContact CB-CE1 4.44Å; R212-F216 HydrophobicContact CB-CE2 4.34Å; R212-F216 HydrophobicContact CB-CZ 3.89Å; R212-F216 HydrophobicContact CG-CZ 4.4Å
213	N	96.2	Very high	97.4	Very high	102 Å²	102	50 Å²	50	55%	0.545	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-24.3	175.7	-69.9	-24.3	0	0	0	113.6	D209 L210 L211 N215	D209-N213 WeakPolarHBondContact O-CB 3.46Å; D209-N213 PolarHBondContact O-N 2.88Å; D209-N213 PolarHBondContact O-ND2 3.22Å; L210-N213 WeakPolarHBondContact O-CB 3.43Å; L210-N213 PolarHBondContact O-N 2.78Å; L211-N213 VanDerWaalsContact C-N 3.27Å; L211-N213 PolarHBondContact O-N 3.03Å; N213-N215 PolarHBondContact O-N 3.04Å
214	T	96	Very high	97.4	Very high	33 Å²	33	48.8 Å²	48.8	20%	0.202	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	6.8	167.3	71.2	0	0	0	0	113.8	L210 L211 R212 F216 R217 G218 V219	L210-T214 PolarHBondContact O-N 3.13Å; L210-T214 VanDerWaalsContact O-N 3.08Å; L211-T214 CarbonylContact O-C 3.59Å; L211-T214 WeakPolarHBondContact O-CA 3.27Å; L211-T214 PolarHBondContact O-N 3.02Å; L211-T214 PolarHBondContact O-OG1 3.33Å; R212-T214 VanDerWaalsContact C-N 3.3Å; R212-T214 PolarHBondContact O-N 2.86Å; T214-F216 PolarHBondContact O-N 3.01Å; T214-R217 VanDerWaalsContact O-CB 3.28Å; T214-R217 WeakPolarHBondContact O-CB 3.36Å; T214-R217 WeakPolarHBondContact O-CG 3.38Å; T214-R217 PolarHBondContact O-N 2.91Å; T214-R217 PolarHBondContact OG1-N 3.37Å; T214-G218 PolarHBondContact OG1-N 3.49Å; T214-V219 HydrophobicContact CG2-CG1 4.04Å
215	N	97.8	Very high	97.5	Very high	128 Å²	128	48.4 Å²	48.4	68%	0.684	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.8	-167.2	-48.6	121.4	0	0	0	112.7	L211 R212 N213 R217	L211-N215 PolarHBondContact O-N 2.95Å; R212-N215 WeakPolarHBondContact O-CA 3.14Å; R212-N215 PolarHBondContact O-N 2.69Å; N213-N215 PolarHBondContact O-N 3.04Å; N215-R217 PolarHBondContact O-N 3.43Å
216	F	98.3	Very high	97.8	Very high	89 Å²	89	50.1 Å²	50.1	39%	0.39	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	32.8	-175.8	-56.1	-76.8	0	0	0	113.9	Y208 L211 R212 T214 G319	Y208-F216 HydrophobicContact CE1-CZ 4.49Å; Y208-F216 HydrophobicContact CE2-CE1 4.11Å; L211-F216 HydrophobicContact CB-CD1 4.18Å; L211-F216 HydrophobicContact CB-CE1 4.29Å; L211-F216 PolarHBondContact O-N 2.96Å; R212-F216 HydrophobicContact CB-CE1 4.44Å; R212-F216 HydrophobicContact CB-CE2 4.34Å; R212-F216 HydrophobicContact CB-CZ 3.89Å; R212-F216 HydrophobicContact CG-CZ 4.4Å; T214-F216 PolarHBondContact O-N 3.01Å; F216-G319 WeakPolarHBondContact CB-O 3.47Å; F216-G319 WeakPolarHBondContact O-CA 3.48Å
217	R	97.9	Very high	97.8	Very high	154 Å²	154	48.8 Å²	48.8	58%	0.581	23%	0.23	S	C	*	.	S	Bend	trans	-92.4	-7.2	171.1	-63.3	179.3	172.5	-118.5	-4.5	113.5	T214 N215 R398	T214-R217 VanDerWaalsContact O-CB 3.28Å; T214-R217 WeakPolarHBondContact O-CB 3.36Å; T214-R217 WeakPolarHBondContact O-CG 3.38Å; T214-R217 PolarHBondContact O-N 2.91Å; T214-R217 PolarHBondContact OG1-N 3.37Å; N215-R217 PolarHBondContact O-N 3.43Å; R217-R398 PolarHBondContact O-NE 2.75Å; R217-R398 PolarHBondContact O-NH2 3.23Å
218	G	97.9	Very high	97.9	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.031	23%	0.23	C	C	.	.			trans	80.7	158.4	-179.8	0	0	0	0	0	113.5	T214 M316 R399	T214-G218 PolarHBondContact OG1-N 3.49Å; G218-M316 CarbonylContact C-O 3.55Å; G218-M316 VanDerWaalsContact CA-O 3.32Å; G218-M316 WeakPolarHBondContact CA-O 3.45Å; G218-R399 PolarHBondContact O-NH2 3Å
219	V	98.4	Very high	97.9	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.055	24%	0.24	C	C	.	.			trans	-83.8	168	174.3	-57.5	0	0	0	0	111.6	L210 T214 L223 T224 F227 M316 H317	L210-V219 HydrophobicContact CD2-CG1 4Å; L210-V219 HydrophobicContact CG-CG1 4.04Å; T214-V219 HydrophobicContact CG2-CG1 4.04Å; V219-L223 HydrophobicContact CB-CB 4.29Å; V219-L223 HydrophobicContact CB-CD2 4Å; V219-L223 HydrophobicContact CB-CG 4.33Å; V219-L223 HydrophobicContact CG1-CD2 4.07Å; V219-L223 HydrophobicContact CG2-CB 4.15Å; V219-L223 HydrophobicContact CG2-CD2 4.38Å; V219-L223 HydrophobicContact CG2-CG 4.2Å; V219-T224 WeakPolarHBondContact CG2-OG1 3.14Å; V219-F227 HydrophobicContact CG2-CE2 4.48Å; V219-M316 HydrophobicContact CG1-CE 4.32Å; V219-M316 HydrophobicContact CG2-CB 4.42Å; V219-M316 HydrophobicContact CG2-CE 4.42Å; V219-M316 WeakPolarHBondContact CG2-O 3.33Å; V219-M316 PolarHBondContact N-O 3.44Å; V219-H317 PolarHBondContact O-ND1 3.19Å
220	S	98.3	Very high	98	Very high	42 Å²	42	49.3 Å²	49.3	29%	0.294	23%	0.233	S	C	.	.			trans	-67.7	152.5	176	60	0	0	0	0	112.1	N222 L223 T224 H405	S220-N222 PolarHBondContact O-N 3.4Å; S220-L223 PolarHBondContact O-N 2.98Å; S220-T224 PolarHBondContact O-N 2.96Å; S220-T224 PolarHBondContact O-OG1 3.13Å; S220-H405 WeakPolarHBondContact CA-NE2 3.5Å
221	L	98.3	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-32.9	-179	-173.7	60.3	0	0	0	112	T224 R225 H317 H405 D409 Y410 F413 F439	L221-T224 PolarHBondContact O-N 2.67Å; L221-R225 WeakPolarHBondContact O-CB 3.36Å; L221-R225 PolarHBondContact O-N 3.5Å; L221-H317 PolarHBondContact N-CE1 2.87Å; L221-H405 PolarHBondContact N-NE2 3.32Å; L221-D409 HydrophobicContact CD2-CB 3.87Å; L221-Y410 HydrophobicContact CD2-CD1 4.3Å; L221-Y410 HydrophobicContact CD2-CE1 4.37Å; L221-Y410 HydrophobicContact CD2-CG 4.49Å; L221-F413 HydrophobicContact CD1-CB 4.06Å; L221-F413 HydrophobicContact CD1-CD1 3.69Å; L221-F413 HydrophobicContact CD1-CD2 4.14Å; L221-F413 HydrophobicContact CD1-CE1 4.14Å; L221-F413 HydrophobicContact CD1-CG 3.7Å; L221-F439 HydrophobicContact CD1-CE2 3.87Å; L221-F439 HydrophobicContact CD1-CZ 3.89Å; L221-F439 HydrophobicContact CD2-CE2 4.45Å; L221-F439 HydrophobicContact CG-CE2 4.07Å; L221-F439 HydrophobicContact CG-CZ 4.34Å
222	N	97.5	Very high	98.1	Very high	40 Å²	40	48.4 Å²	48.4	21%	0.214	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-29.9	174.9	-72.8	2.3	0	0	0	113.6	S220 R225 K226 E446	S220-N222 PolarHBondContact O-N 3.4Å; N222-R225 PolarHBondContact OD1-NH1 3.25Å; N222-R225 PolarHBondContact OD1-NH2 3Å; N222-K226 WeakPolarHBondContact O-CG 3.27Å; N222-K226 PolarHBondContact O-N 3.38Å; N222-E446 PolarHBondContact ND2-OE1 3.26Å; N222-E446 PolarHBondContact OD1-OE1 2.7Å
223	L	97.9	Very high	98.2	Very high	44 Å²	44	44.2 Å²	44.2	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-79.5	-39.2	171.9	-176.3	52.4	0	0	0	110.9	V219 S220 R225 K226 F227 S263	V219-L223 HydrophobicContact CB-CB 4.29Å; V219-L223 HydrophobicContact CB-CD2 4Å; V219-L223 HydrophobicContact CB-CG 4.33Å; V219-L223 HydrophobicContact CG1-CD2 4.07Å; V219-L223 HydrophobicContact CG2-CB 4.15Å; V219-L223 HydrophobicContact CG2-CD2 4.38Å; V219-L223 HydrophobicContact CG2-CG 4.2Å; S220-L223 PolarHBondContact O-N 2.98Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 2.87Å; L223-K226 HydrophobicContact CD1-CB 4.45Å; L223-K226 PolarHBondContact O-N 3.44Å; L223-K226 VanDerWaalsContact O-N 3.07Å; L223-F227 HydrophobicContact CD1-CD2 4.47Å; L223-F227 HydrophobicContact CD1-CE1 4Å; L223-F227 HydrophobicContact CD1-CE2 3.91Å; L223-F227 HydrophobicContact CD1-CZ 3.64Å; L223-F227 HydrophobicContact CD2-CE2 4.1Å; L223-F227 HydrophobicContact CD2-CZ 4.13Å; L223-F227 HydrophobicContact CG-CD2 4.23Å; L223-F227 HydrophobicContact CG-CE2 3.6Å; L223-F227 HydrophobicContact CG-CZ 3.81Å; L223-F227 PolarHBondContact O-N 2.99Å; L223-S263 VanDerWaalsContact CD1-CB 3.48Å
224	T	98.7	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.8	-41.6	170	-53.1	0	0	0	0	111.5	V219 S220 L221 K226 F227 A228 L313 H317 F413	V219-T224 WeakPolarHBondContact CG2-OG1 3.14Å; S220-T224 PolarHBondContact O-N 2.96Å; S220-T224 PolarHBondContact O-OG1 3.13Å; L221-T224 PolarHBondContact O-N 2.67Å; T224-K226 PolarHBondContact O-N 3.02Å; T224-F227 PolarHBondContact O-N 2.89Å; T224-A228 VanDerWaalsContact O-CB 3.27Å; T224-A228 WeakPolarHBondContact O-CB 3.41Å; T224-A228 PolarHBondContact O-N 3.29Å; T224-L313 HydrophobicContact CG2-CB 4.26Å; T224-L313 HydrophobicContact CG2-CD2 4.04Å; T224-L313 WeakPolarHBondContact CG2-O 3.48Å; T224-H317 HydrophobicContact CG2-CB 4.4Å; T224-F413 HydrophobicContact CG2-CE2 3.92Å; T224-F413 HydrophobicContact CG2-CZ 3.82Å
225	R	98.6	Very high	98.4	Very high	26 Å²	26	38.1 Å²	38.1	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-43.7	173.7	-168.8	-175.5	-61.4	118.6	15.5	112.3	L221 N222 L223 A228 Q229 F439 F440 E446	L221-R225 WeakPolarHBondContact O-CB 3.36Å; L221-R225 PolarHBondContact O-N 3.5Å; N222-R225 PolarHBondContact OD1-NH1 3.25Å; N222-R225 PolarHBondContact OD1-NH2 3Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 2.87Å; R225-A228 PolarHBondContact O-N 2.96Å; R225-Q229 WeakPolarHBondContact O-CB 3.31Å; R225-Q229 PolarHBondContact O-N 3.37Å; R225-F439 HydrophobicContact CB-CE1 3.83Å; R225-F439 HydrophobicContact CB-CZ 3.73Å; R225-F439 WeakPolarHBondContact CD-O 3.27Å; R225-F439 HydrophobicContact CG-CD1 4.22Å; R225-F439 HydrophobicContact CG-CE1 3.84Å; R225-F439 HydrophobicContact CG-CZ 4.04Å; R225-F439 PolarHBondContact NE-O 2.89Å; R225-F440 HydrophobicContact CG-CD1 3.9Å; R225-F440 HydrophobicContact CG-CE1 4.17Å; R225-F440 WeakPolarHBondContact O-CE1 3.33Å; R225-E446 IonicContact NH1-OE1 2.7Å; R225-E446 IonicContact NH1-OE2 3.32Å
226	K	98.3	Very high	98.5	Very high	106 Å²	106	35 Å²	35	46%	0.461	17%	0.166	S	C	.	.	H	α-helix	trans	-66	-39	178	-71.7	174.7	-178.2	-179.3	0	112.5	N222 L223 T224 Q230	N222-K226 WeakPolarHBondContact O-CG 3.27Å; N222-K226 PolarHBondContact O-N 3.38Å; L223-K226 HydrophobicContact CD1-CB 4.45Å; L223-K226 PolarHBondContact O-N 3.44Å; L223-K226 VanDerWaalsContact O-N 3.07Å; T224-K226 PolarHBondContact O-N 3.02Å; K226-Q230 WeakPolarHBondContact O-CG 3.28Å; K226-Q230 PolarHBondContact O-N 2.9Å; K226-Q230 PolarHBondContact O-NE2 2.93Å
227	F	98.8	Very high	98.5	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-45.1	173.3	-62.2	-38.4	0	0	0	111.7	L207 L210 V219 L223 T224 Q229 Q230 L231 L257 I265 M316	L207-F227 HydrophobicContact CD1-CD2 4.34Å; L207-F227 HydrophobicContact CD1-CG 4.39Å; L207-F227 HydrophobicContact CD2-CD1 4.45Å; L207-F227 HydrophobicContact CD2-CD2 4.33Å; L207-F227 HydrophobicContact CD2-CE1 3.98Å; L207-F227 HydrophobicContact CD2-CE2 3.83Å; L207-F227 HydrophobicContact CD2-CZ 3.64Å; L210-F227 HydrophobicContact CD2-CE2 3.71Å; L210-F227 HydrophobicContact CD2-CZ 3.64Å; V219-F227 HydrophobicContact CG2-CE2 4.48Å; L223-F227 HydrophobicContact CD1-CD2 4.47Å; L223-F227 HydrophobicContact CD1-CE1 4Å; L223-F227 HydrophobicContact CD1-CE2 3.91Å; L223-F227 HydrophobicContact CD1-CZ 3.64Å; L223-F227 HydrophobicContact CD2-CE2 4.1Å; L223-F227 HydrophobicContact CD2-CZ 4.13Å; L223-F227 HydrophobicContact CG-CD2 4.23Å; L223-F227 HydrophobicContact CG-CE2 3.6Å; L223-F227 HydrophobicContact CG-CZ 3.81Å; L223-F227 PolarHBondContact O-N 2.99Å; T224-F227 PolarHBondContact O-N 2.89Å; F227-Q229 VanDerWaalsContact C-N 3.31Å; F227-Q229 PolarHBondContact O-N 3.05Å; F227-Q230 PolarHBondContact O-N 2.81Å; F227-L231 WeakPolarHBondContact O-CB 3.28Å; F227-L231 VanDerWaalsContact O-CG 3.29Å; F227-L231 WeakPolarHBondContact O-CG 3.4Å; F227-L231 PolarHBondContact O-N 3.36Å; F227-L257 HydrophobicContact CE1-CD2 3.76Å; F227-L257 HydrophobicContact CZ-CD2 4.01Å; F227-I265 HydrophobicContact CD1-CD1 4.46Å; F227-I265 HydrophobicContact CD1-CG2 3.76Å; F227-I265 HydrophobicContact CE1-CG2 3.73Å; F227-M316 HydrophobicContact CD2-CE 4.36Å; F227-M316 HydrophobicContact CE2-CE 4.07Å
228	A	98.8	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.1	-43.1	177.5	0	0	0	0	0	112.4	T224 R225 C232 L313 F439 F440	T224-A228 VanDerWaalsContact O-CB 3.27Å; T224-A228 WeakPolarHBondContact O-CB 3.41Å; T224-A228 PolarHBondContact O-N 3.29Å; R225-A228 PolarHBondContact O-N 2.96Å; A228-C232 WeakPolarHBondContact O-CB 3.46Å; A228-C232 PolarHBondContact O-N 3.42Å; A228-C232 PolarHBondContact O-SG 3.42Å; A228-L313 HydrophobicContact CB-CD1 3.47Å; A228-L313 VanDerWaalsContact CB-CD1 3.47Å; A228-L313 HydrophobicContact CB-CD2 3.66Å; A228-L313 HydrophobicContact CB-CG 4.21Å; A228-F439 HydrophobicContact CB-CE1 4.41Å; A228-F440 HydrophobicContact CB-CE1 3.81Å; A228-F440 HydrophobicContact CB-CZ 3.73Å
229	Q	98.7	Very high	98.5	Very high	97 Å²	97	25.9 Å²	25.9	45%	0.453	14%	0.137	S	C	.	.	H	α-helix	trans	-64.3	-48.3	179.6	-168.6	176.6	7.3	0	0	111.7	R225 F227 C232 T233 L435 F440	R225-Q229 WeakPolarHBondContact O-CB 3.31Å; R225-Q229 PolarHBondContact O-N 3.37Å; F227-Q229 VanDerWaalsContact C-N 3.31Å; F227-Q229 PolarHBondContact O-N 3.05Å; Q229-C232 PolarHBondContact O-N 2.72Å; Q229-T233 PolarHBondContact O-N 3.01Å; Q229-T233 PolarHBondContact O-OG1 3.24Å; Q229-L435 HydrophobicContact CG-CD2 4.07Å; Q229-F440 HydrophobicContact CB-CD1 3.89Å; Q229-F440 HydrophobicContact CB-CE1 3.66Å; Q229-F440 HydrophobicContact CB-CZ 4.46Å; Q229-F440 HydrophobicContact CG-CD1 4.24Å; Q229-F440 HydrophobicContact CG-CE1 4.39Å
230	Q	98.8	Very high	98.5	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.093	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-41.6	179.3	-70	171.1	95.3	0	0	112	Y182 K226 F227 T233 A234 S263 I265	Y182-Q230 HydrophobicContact CD1-CB 4.27Å; Y182-Q230 HydrophobicContact CD1-CG 4.21Å; Y182-Q230 HydrophobicContact CD2-CB 4.05Å; Y182-Q230 HydrophobicContact CD2-CG 4.48Å; Y182-Q230 VanDerWaalsContact CD2-O 3.3Å; Y182-Q230 WeakPolarHBondContact CD2-O 3.23Å; Y182-Q230 HydrophobicContact CE1-CB 4.27Å; Y182-Q230 HydrophobicContact CE1-CG 3.77Å; Y182-Q230 HydrophobicContact CE2-CB 4.04Å; Y182-Q230 HydrophobicContact CE2-CG 4.06Å; Y182-Q230 HydrophobicContact CG-CB 4.17Å; K226-Q230 WeakPolarHBondContact O-CG 3.28Å; K226-Q230 PolarHBondContact O-N 2.9Å; K226-Q230 PolarHBondContact O-NE2 2.93Å; F227-Q230 PolarHBondContact O-N 2.81Å; Q230-T233 PolarHBondContact O-N 3.08Å; Q230-A234 WeakPolarHBondContact O-CB 3.47Å; Q230-A234 PolarHBondContact O-N 3.19Å; Q230-S263 PolarHBondContact NE2-O 2.77Å; Q230-S263 PolarHBondContact OE1-O 3.21Å; Q230-I265 HydrophobicContact CB-CD1 3.79Å; Q230-I265 HydrophobicContact CB-CG1 3.78Å; Q230-I265 HydrophobicContact CG-CG1 4.37Å
231	L	98.9	Very high	98.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-38.5	177.3	-67.2	167.9	0	0	0	112.1	F227 A234 L235 I255 I265 I267 L309	F227-L231 WeakPolarHBondContact O-CB 3.28Å; F227-L231 VanDerWaalsContact O-CG 3.29Å; F227-L231 WeakPolarHBondContact O-CG 3.4Å; F227-L231 PolarHBondContact O-N 3.36Å; L231-A234 PolarHBondContact O-N 3.4Å; L231-L235 WeakPolarHBondContact O-CB 3.39Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.44Å; L231-I255 HydrophobicContact CD1-CD1 3.88Å; L231-I255 HydrophobicContact CD2-CD1 3.8Å; L231-I255 HydrophobicContact CD2-CG1 4.06Å; L231-I255 HydrophobicContact CD2-CG2 4.13Å; L231-I265 HydrophobicContact CD1-CD1 4.31Å; L231-I265 HydrophobicContact CD2-CD1 3.65Å; L231-I265 HydrophobicContact CG-CD1 3.61Å; L231-I267 HydrophobicContact CD2-CD1 3.95Å; L231-I267 HydrophobicContact CD2-CG1 3.98Å; L231-L309 HydrophobicContact CB-CD1 3.57Å; L231-L309 HydrophobicContact CB-CD2 4.11Å; L231-L309 HydrophobicContact CD1-CD1 3.41Å; L231-L309 VanDerWaalsContact CD1-CD1 3.41Å; L231-L309 HydrophobicContact CG-CD1 4.08Å
232	C	98.9	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-38.6	171.9	-69.5	0	0	0	0	112	A228 Q229 L235 L236 P431 L435	A228-C232 WeakPolarHBondContact O-CB 3.46Å; A228-C232 PolarHBondContact O-N 3.42Å; A228-C232 PolarHBondContact O-SG 3.42Å; Q229-C232 PolarHBondContact O-N 2.72Å; C232-L235 PolarHBondContact O-N 3.21Å; C232-L236 WeakPolarHBondContact O-CB 3.39Å; C232-L236 PolarHBondContact O-N 2.87Å; C232-P431 WeakPolarHBondContact O-CB 3.5Å; C232-L435 HydrophobicContact CB-CD2 3.62Å; C232-L435 HydrophobicContact CB-CG 3.76Å
233	T	98.8	Very high	98.3	Very high	33 Å²	33	33.7 Å²	33.7	20%	0.202	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-40.5	174.1	-59.8	0	0	0	0	112.1	Y181 Y182 Q229 Q230 L236 F237	Y181-T233 HydrophobicContact CD1-CG2 4.17Å; Y182-T233 HydrophobicContact CD2-CG2 4.24Å; Y182-T233 HydrophobicContact CE2-CG2 3.79Å; Q229-T233 PolarHBondContact O-N 3.01Å; Q229-T233 PolarHBondContact O-OG1 3.24Å; Q230-T233 PolarHBondContact O-N 3.08Å; T233-L236 PolarHBondContact O-N 3.35Å; T233-F237 PolarHBondContact O-N 3.22Å
234	A	98.8	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-44.1	175.6	0	0	0	0	0	111.9	Y181 I183 Q230 L231 L236 F237 L238 I267	Y181-A234 WeakPolarHBondContact O-CA 3.18Å; Y181-A234 WeakPolarHBondContact O-CB 3.37Å; I183-A234 HydrophobicContact CD1-CB 4.32Å; Q230-A234 WeakPolarHBondContact O-CB 3.47Å; Q230-A234 PolarHBondContact O-N 3.19Å; L231-A234 PolarHBondContact O-N 3.4Å; A234-L236 VanDerWaalsContact C-N 3.33Å; A234-L236 PolarHBondContact O-N 2.95Å; A234-F237 WeakPolarHBondContact O-CB 3.46Å; A234-F237 PolarHBondContact O-N 2.97Å; A234-L238 WeakPolarHBondContact O-CG 3.42Å; A234-L238 PolarHBondContact O-N 2.97Å; A234-I267 HydrophobicContact CB-CD1 3.57Å; A234-I267 HydrophobicContact CB-CG1 4.48Å
235	L	98.9	Very high	98.3	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-68.7	-29.7	175.7	-69.6	-179.4	0	0	0	113	L231 C232 F237 L238 A239 L250 D305 M306 L309 P431	L231-L235 WeakPolarHBondContact O-CB 3.39Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.44Å; C232-L235 PolarHBondContact O-N 3.21Å; L235-F237 VanDerWaalsContact C-N 3.33Å; L235-L238 HydrophobicContact CD2-CD1 4.2Å; L235-A239 WeakPolarHBondContact O-CB 3.28Å; L235-A239 PolarHBondContact O-N 3.11Å; L235-A239 VanDerWaalsContact O-N 3.1Å; L235-L250 HydrophobicContact CD1-CD1 4.32Å; L235-L250 HydrophobicContact CD2-CD1 4.09Å; L235-D305 HydrophobicContact CD1-CB 4.29Å; L235-D305 HydrophobicContact CD2-CB 3.78Å; L235-M306 HydrophobicContact CB-SD 4.39Å; L235-M306 HydrophobicContact CD1-CG 4.41Å; L235-M306 HydrophobicContact CD1-SD 3.53Å; L235-M306 VanDerWaalsContact CD1-SD 3.53Å; L235-L309 HydrophobicContact CD1-CB 4.4Å; L235-L309 HydrophobicContact CD1-CD2 3.98Å; L235-P431 HydrophobicContact CB-CB 4.16Å; L235-P431 HydrophobicContact CB-CG 3.69Å
236	L	98.7	Very high	98.3	Very high	63 Å²	63	31.9 Å²	31.9	33%	0.33	17%	0.174	S	C	.	.	H	α-helix	trans	-65.4	-38.4	170.6	-178	59.4	0	0	0	111.5	C232 T233 A234 A239 T240 P431 L435	C232-L236 WeakPolarHBondContact O-CB 3.39Å; C232-L236 PolarHBondContact O-N 2.87Å; T233-L236 PolarHBondContact O-N 3.35Å; A234-L236 VanDerWaalsContact C-N 3.33Å; A234-L236 PolarHBondContact O-N 2.95Å; L236-A239 PolarHBondContact O-N 2.94Å; L236-T240 PolarHBondContact O-N 3.03Å; L236-P431 HydrophobicContact CB-CB 3.81Å; L236-P431 HydrophobicContact CD1-CB 4.43Å; L236-L435 HydrophobicContact CD2-CD1 3.81Å
237	F	98.7	Very high	98.3	Very high	11 Å²	11	26.9 Å²	26.9	5%	0.048	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-48.1	174.1	174.3	-105.9	0	0	0	112.2	M172 H175 D176 Y181 I183 T233 A234 L235 A239 T240 L243	M172-F237 HydrophobicContact CB-CE1 4.07Å; M172-F237 HydrophobicContact CB-CZ 4.46Å; M172-F237 HydrophobicContact CG-CE1 4.15Å; H175-F237 HydrophobicContact CB-CE2 4Å; H175-F237 HydrophobicContact CB-CZ 3.98Å; D176-F237 HydrophobicContact CB-CE1 4.44Å; D176-F237 HydrophobicContact CB-CE2 4.25Å; D176-F237 HydrophobicContact CB-CZ 3.81Å; Y181-F237 VanDerWaalsContact CB-CG 3.46Å; Y181-F237 HydrophobicContact CD1-CB 3.74Å; Y181-F237 AromaticContact CD1-CD2 3.96Å; Y181-F237 HydrophobicContact CD1-CD2 3.96Å; Y181-F237 HydrophobicContact CD1-CG 4.04Å; Y181-F237 AromaticContact CD2-CD2 3.35Å; Y181-F237 HydrophobicContact CD2-CD2 3.35Å; Y181-F237 AromaticContact CD2-CE2 3.51Å; Y181-F237 HydrophobicContact CD2-CE2 3.51Å; Y181-F237 AromaticContact CD2-CG 3.97Å; Y181-F237 HydrophobicContact CD2-CG 3.97Å; Y181-F237 HydrophobicContact CD2-CZ 4.25Å; Y181-F237 HydrophobicContact CE1-CD2 4.39Å; Y181-F237 AromaticContact CE2-CD2 3.85Å; Y181-F237 HydrophobicContact CE2-CD2 3.85Å; Y181-F237 HydrophobicContact CE2-CE2 4.02Å; Y181-F237 HydrophobicContact CG-CB 3.76Å; Y181-F237 HydrophobicContact CG-CD1 4.26Å; Y181-F237 AromaticContact CG-CD2 3.42Å; Y181-F237 HydrophobicContact CG-CD2 3.42Å; Y181-F237 VanDerWaalsContact CG-CD2 3.42Å; Y181-F237 HydrophobicContact CG-CE2 4Å; Y181-F237 AromaticContact CG-CG 3.56Å; Y181-F237 HydrophobicContact CG-CG 3.56Å; I183-F237 HydrophobicContact CD1-CD1 4.35Å; I183-F237 HydrophobicContact CG1-CD1 3.86Å; I183-F237 HydrophobicContact CG1-CE1 3.88Å; T233-F237 PolarHBondContact O-N 3.22Å; A234-F237 WeakPolarHBondContact O-CB 3.46Å; A234-F237 PolarHBondContact O-N 2.97Å; L235-F237 VanDerWaalsContact C-N 3.33Å; F237-A239 PolarHBondContact O-N 3.04Å; F237-A239 VanDerWaalsContact O-N 3.09Å; F237-T240 WeakPolarHBondContact O-CG2 3.48Å; F237-T240 PolarHBondContact O-N 2.97Å; F237-L243 HydrophobicContact CD1-CD1 3.98Å; F237-L243 HydrophobicContact CD2-CD1 4.2Å; F237-L243 HydrophobicContact CE1-CD1 3.59Å; F237-L243 HydrophobicContact CE2-CD1 3.83Å; F237-L243 HydrophobicContact CG-CD1 4.28Å; F237-L243 HydrophobicContact CZ-CD1 3.51Å; F237-L243 WeakPolarHBondContact O-CD1 3.5Å
238	L	98.6	Very high	98.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-58.8	-25.6	175.2	-62.8	-170.2	0	0	0	112.9	M172 I183 A234 L235 S244 I245 H247 F270	M172-L238 HydrophobicContact CG-CD2 4.41Å; M172-L238 HydrophobicContact SD-CD2 3.35Å; M172-L238 WeakPolarHBondContact SD-CD2 3.31Å; I183-L238 HydrophobicContact CD1-CD2 4.02Å; I183-L238 HydrophobicContact CD1-CG 4.44Å; A234-L238 WeakPolarHBondContact O-CG 3.42Å; A234-L238 PolarHBondContact O-N 2.97Å; L235-L238 HydrophobicContact CD2-CD1 4.2Å; L238-S244 PolarHBondContact O-N 3.19Å; L238-I245 HydrophobicContact CB-CB 4.35Å; L238-I245 HydrophobicContact CD1-CG2 4.45Å; L238-I245 HydrophobicContact CD2-CB 4.23Å; L238-I245 HydrophobicContact CD2-CG2 4.25Å; L238-I245 PolarHBondContact O-N 2.98Å; L238-H247 HydrophobicContact CD1-CB 4.32Å; L238-F270 HydrophobicContact CD1-CE1 4.09Å; L238-F270 HydrophobicContact CD1-CZ 4.47Å; L238-F270 HydrophobicContact CD2-CE1 4.05Å; L238-F270 HydrophobicContact CD2-CZ 4.41Å
239	A	98.3	Very high	98.2	Very high	40 Å²	40	27.4 Å²	27.4	33%	0.331	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.3	178.1	0	0	0	0	0	115.7	L235 L236 F237 L302	L235-A239 WeakPolarHBondContact O-CB 3.28Å; L235-A239 PolarHBondContact O-N 3.11Å; L235-A239 VanDerWaalsContact O-N 3.1Å; L236-A239 PolarHBondContact O-N 2.94Å; F237-A239 PolarHBondContact O-N 3.04Å; F237-A239 VanDerWaalsContact O-N 3.09Å; A239-L302 VanDerWaalsContact CA-CD2 3.48Å; A239-L302 HydrophobicContact CB-CD2 3.6Å
240	T	98.1	Very high	98.2	Very high	43 Å²	43	22.9 Å²	22.9	26%	0.264	13%	0.134	S	C	.	.	S	Bend	trans	-67.9	148.2	171.4	80.2	0	0	0	0	110.6	L236 F237 E242 L243 S244	L236-T240 PolarHBondContact O-N 3.03Å; F237-T240 WeakPolarHBondContact O-CG2 3.48Å; F237-T240 PolarHBondContact O-N 2.97Å; T240-E242 WeakPolarHBondContact CB-OE2 3.42Å; T240-E242 PolarHBondContact O-N 3.44Å; T240-E242 VanDerWaalsContact O-N 3.16Å; T240-E242 PolarHBondContact OG1-OE2 3.47Å; T240-L243 PolarHBondContact O-N 3.45Å; T240-L243 VanDerWaalsContact O-N 3.07Å; T240-S244 PolarHBondContact O-N 2.92Å
241	P	96.1	Very high	98.2	Very high	104 Å²	104	23 Å²	23	68%	0.675	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-35	-173.7	-26.9	36.2	0	0	0	114.1	L243 S244	P241-L243 VanDerWaalsContact C-N 3.26Å; P241-L243 PolarHBondContact O-N 2.8Å; P241-S244 PolarHBondContact O-OG 3.43Å
242	E	95.6	Very high	98.2	Very high	108 Å²	108	23 Å²	23	51%	0.505	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.2	-177.8	-49.5	71.6	-153.2	0	0	112.6	T240	T240-E242 WeakPolarHBondContact CB-OE2 3.42Å; T240-E242 PolarHBondContact O-N 3.44Å; T240-E242 VanDerWaalsContact O-N 3.16Å; T240-E242 PolarHBondContact OG1-OE2 3.47Å
243	L	97.4	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-60	179.1	-61.3	-176.4	0	0	0	110.5	L171 M172 F237 T240 P241 I245 Q275	L171-L243 HydrophobicContact CD1-CD2 4.41Å; L171-L243 HydrophobicContact CD2-CD2 3.89Å; L171-L243 HydrophobicContact CG-CD2 3.61Å; M172-L243 HydrophobicContact CG-CD1 4.26Å; M172-L243 HydrophobicContact CG-CD2 4.37Å; F237-L243 HydrophobicContact CD1-CD1 3.98Å; F237-L243 HydrophobicContact CD2-CD1 4.2Å; F237-L243 HydrophobicContact CE1-CD1 3.59Å; F237-L243 HydrophobicContact CE2-CD1 3.83Å; F237-L243 HydrophobicContact CG-CD1 4.28Å; F237-L243 HydrophobicContact CZ-CD1 3.51Å; F237-L243 WeakPolarHBondContact O-CD1 3.5Å; T240-L243 PolarHBondContact O-N 3.45Å; T240-L243 VanDerWaalsContact O-N 3.07Å; P241-L243 VanDerWaalsContact C-N 3.26Å; P241-L243 PolarHBondContact O-N 2.8Å; L243-I245 HydrophobicContact CB-CD1 4.13Å; L243-I245 HydrophobicContact CB-CG1 4.12Å; L243-I245 HydrophobicContact CD2-CD1 4.4Å; L243-I245 WeakPolarHBondContact O-CG1 3.48Å; L243-I245 PolarHBondContact O-N 3.42Å; L243-Q275 PolarHBondContact O-NE2 3.34Å
244	S	97.7	Very high	98.1	Very high	32 Å²	32	24.9 Å²	24.9	22%	0.224	14%	0.141	C	C	.	.			trans	46.9	42.5	-174.8	-61.6	0	0	0	0	112.9	L238 T240 P241 Q275 L276	L238-S244 PolarHBondContact O-N 3.19Å; T240-S244 PolarHBondContact O-N 2.92Å; P241-S244 PolarHBondContact O-OG 3.43Å; S244-Q275 CarbonylContact O-C 3.56Å; S244-Q275 WeakPolarHBondContact O-CA 3.35Å; S244-L276 PolarHBondContact O-N 2.81Å
245	I	98.3	Very high	98.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.4	-172.6	-66.9	172.6	0	0	0	110.4	L168 M172 L238 L243 F270 Q275	L168-I245 HydrophobicContact CB-CD1 4.43Å; L168-I245 HydrophobicContact CD2-CD1 4.09Å; L168-I245 HydrophobicContact CD2-CG1 4.24Å; M172-I245 HydrophobicContact CG-CD1 3.56Å; M172-I245 HydrophobicContact SD-CD1 3.71Å; L238-I245 HydrophobicContact CB-CB 4.35Å; L238-I245 HydrophobicContact CD1-CG2 4.45Å; L238-I245 HydrophobicContact CD2-CB 4.23Å; L238-I245 HydrophobicContact CD2-CG2 4.25Å; L238-I245 PolarHBondContact O-N 2.98Å; L243-I245 HydrophobicContact CB-CD1 4.13Å; L243-I245 HydrophobicContact CB-CG1 4.12Å; L243-I245 HydrophobicContact CD2-CD1 4.4Å; L243-I245 WeakPolarHBondContact O-CG1 3.48Å; L243-I245 PolarHBondContact O-N 3.42Å; I245-F270 HydrophobicContact CG2-CD1 4.39Å; I245-F270 HydrophobicContact CG2-CE1 4.32Å; I245-Q275 HydrophobicContact CG1-CG 4.22Å
246	I	98.4	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.8	166.9	-44.9	169.9	0	0	0	106.9	C248 S273 C274 L276 R279 Y300 L302 I304 D305	I246-C248 VanDerWaalsContact CG2-SG 3.51Å; I246-S273 VanDerWaalsContact O-CA 3.25Å; I246-S273 WeakPolarHBondContact O-CA 3.34Å; I246-S273 VanDerWaalsContact O-CB 3.22Å; I246-S273 WeakPolarHBondContact O-CB 3.27Å; I246-C274 PolarHBondContact N-O 3.49Å; I246-C274 PolarHBondContact O-N 2.96Å; I246-C274 VanDerWaalsContact O-N 3.07Å; I246-L276 HydrophobicContact CD1-CD1 4.39Å; I246-R279 HydrophobicContact CD1-CG 4.4Å; I246-Y300 HydrophobicContact CD1-CD2 4.08Å; I246-Y300 HydrophobicContact CD1-CE2 3.86Å; I246-L302 HydrophobicContact CG1-CD1 4.12Å; I246-L302 HydrophobicContact CG1-CG 4.01Å; I246-I304 HydrophobicContact CG2-CD1 3.52Å; I246-I304 HydrophobicContact CG2-CG1 3.67Å; I246-D305 WeakPolarHBondContact CG2-OD2 3.22Å
247	H	98.5	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.			trans	-69.4	-36.5	-178.6	-174.1	-93.6	0	0	0	111.6	L238 D249 L250 I267 V268 F270 S273 D305	L238-H247 HydrophobicContact CD1-CB 4.32Å; H247-D249 PolarHBondContact CE1-O 3.21Å; H247-D249 VanDerWaalsContact ND1-C 3.27Å; H247-D249 PolarHBondContact ND1-N 2.88Å; H247-D249 PolarHBondContact ND1-O 3.16Å; H247-D249 PolarHBondContact O-N 3.46Å; H247-L250 HydrophobicContact CB-CD2 4.49Å; H247-L250 HydrophobicContact CB-CG 4.14Å; H247-L250 PolarHBondContact ND1-N 2.92Å; H247-I267 WeakPolarHBondContact NE2-CG2 3.45Å; H247-V268 PolarHBondContact NE2-O 3.36Å; H247-F270 AromaticContact CD2-CD1 3.82Å; H247-F270 AromaticContact CD2-CE1 3.57Å; H247-F270 AromaticContact CD2-CZ 3.68Å; H247-S273 WeakPolarHBondContact CA-OG 3.36Å; H247-S273 WeakPolarHBondContact O-CA 3.38Å; H247-S273 PolarHBondContact O-OG 3.29Å; H247-D305 PolarHBondContact N-OD2 3.03Å
248	C	97.9	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	65.4	-8.5	174.7	-65.6	0	0	0	0	116.8	I246 S272 I284 Q285 D305	I246-C248 VanDerWaalsContact CG2-SG 3.51Å; C248-S272 VanDerWaalsContact CB-O 3.23Å; C248-S272 WeakPolarHBondContact CB-O 3.45Å; C248-I284 HydrophobicContact CB-CB 4.35Å; C248-I284 HydrophobicContact CB-CD1 4.24Å; C248-Q285 WeakPolarHBondContact O-CA 3.41Å; C248-Q285 VanDerWaalsContact O-CG 3.27Å; C248-Q285 WeakPolarHBondContact O-CG 3.45Å; C248-Q285 PolarHBondContact O-N 2.78Å; C248-D305 PolarHBondContact N-OD1 2.89Å
249	D	97.5	Very high	97.8	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.07	16%	0.164	C	C	.	.			trans	-147.5	53.4	172.2	-164.7	36.5	0	0	0	113.8	H247 K251 N254 S286	H247-D249 PolarHBondContact CE1-O 3.21Å; H247-D249 VanDerWaalsContact ND1-C 3.27Å; H247-D249 PolarHBondContact ND1-N 2.88Å; H247-D249 PolarHBondContact ND1-O 3.16Å; H247-D249 PolarHBondContact O-N 3.46Å; D249-K251 IonicContact OD2-NZ 3.15Å; D249-K251 PolarHBondContact OD2-NZ 3.39Å; D249-N254 PolarHBondContact O-ND2 3.45Å; D249-S286 WeakPolarHBondContact OD1-CA 3.31Å; D249-S286 WeakPolarHBondContact OD1-CB 3.1Å; D249-S286 PolarHBondContact OD1-N 2.92Å; D249-S286 PolarHBondContact OD1-OG 3.07Å; D249-S286 PolarHBondContact OD2-OG 3.47Å
250	L	98.8	Very high	97.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	17%	0.167	C	C	.	.			trans	-71.5	130	170	-79.7	-173.7	0	0	0	111.5	L235 H247 I267 D305 I312	L235-L250 HydrophobicContact CD1-CD1 4.32Å; L235-L250 HydrophobicContact CD2-CD1 4.09Å; H247-L250 HydrophobicContact CB-CD2 4.49Å; H247-L250 HydrophobicContact CB-CG 4.14Å; H247-L250 PolarHBondContact ND1-N 2.92Å; L250-I267 HydrophobicContact CD2-CD1 4.25Å; L250-I267 HydrophobicContact CD2-CG2 3.85Å; L250-D305 HydrophobicContact CD1-CB 3.94Å; L250-I312 HydrophobicContact CB-CD1 4.09Å
251	K	98.6	Very high	97.2	Very high	23 Å²	23	36.6 Å²	36.6	10%	0.1	19%	0.194	C	C	.	.			trans	-161.9	161.9	179.3	61.7	-175.8	-171.2	-106.3	0	109.9	D249 E253 N254 S286 Y289	D249-K251 IonicContact OD2-NZ 3.15Å; D249-K251 PolarHBondContact OD2-NZ 3.39Å; K251-E253 WeakPolarHBondContact CB-OE2 3.27Å; K251-E253 HydrophobicContact CD-CB 4.31Å; K251-E253 WeakPolarHBondContact CD-OE2 3.45Å; K251-E253 HydrophobicContact CG-CB 4.23Å; K251-E253 WeakPolarHBondContact CG-OE2 3.37Å; K251-E253 PolarHBondContact O-N 3Å; K251-N254 WeakPolarHBondContact CE-OD1 3.4Å; K251-N254 HydrophobicContact CG-CB 3.9Å; K251-N254 PolarHBondContact NZ-ND2 3.07Å; K251-N254 PolarHBondContact NZ-OD1 3.23Å; K251-N254 PolarHBondContact O-N 3.4Å; K251-S286 WeakPolarHBondContact CD-OG 3.23Å; K251-Y289 HydrophobicContact CB-CD2 3.56Å; K251-Y289 HydrophobicContact CB-CE2 3.36Å; K251-Y289 HydrophobicContact CB-CG 4.41Å
252	P	98.7	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-59.1	-28.4	-179.5	-22.7	34.4	0	0	0	113.9	L207 Y208 N254 Y289 I312	L207-P252 HydrophobicContact CB-CB 4Å; L207-P252 WeakPolarHBondContact CB-O 3.23Å; L207-P252 PolarHBondContact N-O 2.79Å; Y208-P252 PolarHBondContact N-O 3.48Å; P252-N254 VanDerWaalsContact C-N 3.32Å; P252-N254 PolarHBondContact O-N 2.99Å; P252-Y289 WeakPolarHBondContact CD-OH 3.49Å; P252-Y289 HydrophobicContact CG-CE1 4.34Å; P252-I312 HydrophobicContact CG-CG1 4.35Å; P252-I312 HydrophobicContact CG-CG2 4.37Å
253	E	97.6	Very high	97.2	Very high	62 Å²	62	36.9 Å²	36.9	29%	0.29	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-68.7	-27.9	175	-51.8	95.8	119.5	0	0	113.2	N206 Y208 K251 L256	N206-E253 WeakPolarHBondContact CB-O 3.43Å; Y208-E253 HydrophobicContact CG-CG 4.33Å; K251-E253 WeakPolarHBondContact CB-OE2 3.27Å; K251-E253 HydrophobicContact CD-CB 4.31Å; K251-E253 WeakPolarHBondContact CD-OE2 3.45Å; K251-E253 HydrophobicContact CG-CB 4.23Å; K251-E253 WeakPolarHBondContact CG-OE2 3.37Å; K251-E253 PolarHBondContact O-N 3Å; E253-L256 WeakPolarHBondContact O-CD1 3.5Å
254	N	98.4	Very high	97.2	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.059	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-95.3	14.4	-177.5	-74.7	6.9	0	0	0	112.8	D249 K251 P252 V268	D249-N254 PolarHBondContact O-ND2 3.45Å; K251-N254 WeakPolarHBondContact CE-OD1 3.4Å; K251-N254 HydrophobicContact CG-CB 3.9Å; K251-N254 PolarHBondContact NZ-ND2 3.07Å; K251-N254 PolarHBondContact NZ-OD1 3.23Å; K251-N254 PolarHBondContact O-N 3.4Å; P252-N254 VanDerWaalsContact C-N 3.32Å; P252-N254 PolarHBondContact O-N 2.99Å; N254-V268 HydrophobicContact CB-CG2 4.38Å; N254-V268 PolarHBondContact O-N 2.8Å
255	I	98.8	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113.7	174.9	-56.6	160.6	0	0	0	107.5	N206 L207 L231 I265 I312	N206-I255 CarbonylContact C-O 3.53Å; N206-I255 VanDerWaalsContact CA-O 3.27Å; N206-I255 WeakPolarHBondContact CA-O 3.41Å; L207-I255 HydrophobicContact CD1-CB 3.87Å; L207-I255 HydrophobicContact CD1-CD1 4.22Å; L207-I255 HydrophobicContact CD1-CG2 3.55Å; L207-I255 HydrophobicContact CG-CB 4.01Å; L207-I255 HydrophobicContact CG-CG2 3.86Å; L207-I255 PolarHBondContact N-O 3.06Å; L231-I255 HydrophobicContact CD1-CD1 3.88Å; L231-I255 HydrophobicContact CD2-CD1 3.8Å; L231-I255 HydrophobicContact CD2-CG1 4.06Å; L231-I255 HydrophobicContact CD2-CG2 4.13Å; I255-I265 HydrophobicContact CG2-CB 3.98Å; I255-I265 HydrophobicContact CG2-CD1 3.79Å; I255-I265 HydrophobicContact CG2-CG1 4.5Å; I255-I265 HydrophobicContact CG2-CG2 4.01Å; I255-I312 HydrophobicContact CD1-CD1 4.1Å; I255-I312 HydrophobicContact CD1-CG2 4.28Å
256	L	98.6	Very high	97.3	Very high	34 Å²	34	37.9 Å²	37.9	18%	0.178	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.1	-173.4	-81.6	65	0	0	0	111.5	L203 S204 N206 E253 I265 K266 V268	L203-L256 HydrophobicContact CB-CB 4.01Å; L203-L256 HydrophobicContact CB-CD2 3.87Å; L203-L256 HydrophobicContact CD1-CB 3.86Å; L203-L256 HydrophobicContact CD1-CD2 4.2Å; S204-L256 WeakPolarHBondContact O-CD2 3.22Å; N206-L256 HydrophobicContact CB-CD1 3.75Å; N206-L256 HydrophobicContact CB-CG 4.01Å; E253-L256 WeakPolarHBondContact O-CD1 3.5Å; L256-I265 CarbonylContact O-C 3.51Å; L256-I265 WeakPolarHBondContact O-CA 3.49Å; L256-K266 PolarHBondContact N-O 3.23Å; L256-K266 PolarHBondContact O-N 3.29Å; L256-V268 HydrophobicContact CD1-CG1 4.08Å; L256-V268 HydrophobicContact CD1-CG2 3.56Å; L256-V268 HydrophobicContact CD2-CG1 4.33Å
257	L	98.4	Very high	97.3	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.2	171.1	-64.6	174.2	0	0	0	110.3	S204 Y205 L207 F227 N259 A264 I265	S204-L257 WeakPolarHBondContact CA-O 3.31Å; S204-L257 WeakPolarHBondContact CB-O 3.47Å; S204-L257 PolarHBondContact N-O 3.25Å; Y205-L257 HydrophobicContact CD2-CD1 4Å; Y205-L257 HydrophobicContact CE1-CD1 4.31Å; Y205-L257 HydrophobicContact CE2-CD1 3.38Å; Y205-L257 PolarHBondContact O-N 3.27Å; L207-L257 HydrophobicContact CD2-CD2 4.22Å; L207-L257 HydrophobicContact CD2-CG 4.48Å; F227-L257 HydrophobicContact CE1-CD2 3.76Å; F227-L257 HydrophobicContact CZ-CD2 4.01Å; L257-N259 PolarHBondContact O-N 3.29Å; L257-A264 CarbonylContact C-O 3.49Å; L257-A264 WeakPolarHBondContact CA-O 3.37Å; L257-I265 HydrophobicContact CD2-CG2 3.74Å
258	C	97.1	Very high	97.3	Very high	48 Å²	48	39 Å²	39	32%	0.324	20%	0.198	S	C	.	.	S	Bend	trans	-70.2	-20.8	172.6	-49.3	0	0	0	0	112.1	L203 A264	L203-C258 HydrophobicContact CD2-CB 4.46Å; C258-A264 HydrophobicContact CB-CB 4.22Å; C258-A264 PolarHBondContact N-O 3.09Å
259	N	94.8	Very high	97.2	Very high	73 Å²	73	40.4 Å²	40.4	39%	0.39	21%	0.205	S	C	.	.	S	Bend	trans	-152.9	136.1	177.2	-178.7	-78.6	0	0	0	110.7	L257 K261 R262	L257-N259 PolarHBondContact O-N 3.29Å; N259-K261 PolarHBondContact O-N 3.08Å; N259-K261 PolarHBondContact OD1-N 2.86Å; N259-R262 HydrophobicContact CB-CB 4.13Å; N259-R262 HydrophobicContact CB-CG 4.02Å; N259-R262 PolarHBondContact O-N 3.24Å; N259-R262 VanDerWaalsContact O-N 3.11Å
260	P	91.4	Very high	97.2	Very high	62 Å²	62	39.8 Å²	39.8	40%	0.403	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.3	-173.3	25.3	-35.6	0	0	0	115.4	S204 Y205	S204-P260 WeakPolarHBondContact OG-CB 3.37Å; S204-P260 WeakPolarHBondContact OG-CD 3.4Å; Y205-P260 HydrophobicContact CD1-CB 4.17Å; Y205-P260 HydrophobicContact CE1-CB 3.53Å; Y205-P260 PolarHBondContact OH-O 2.99Å
261	K	92.3	Very high	96.9	Very high	191 Å²	191	39.7 Å²	39.7	83%	0.83	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.6	13.6	-179.9	-59.8	-176.9	-179.5	179.8	0	113.2	N259	N259-K261 PolarHBondContact O-N 3.08Å; N259-K261 PolarHBondContact OD1-N 2.86Å
262	R	95.7	Very high	96.6	Very high	181 Å²	181	40 Å²	40	68%	0.683	21%	0.207	S	C	*	.	S	Bend	trans	-131.8	160.7	179.7	-56	-68.1	-74.7	-89.2	-0.1	110.1	N259	N259-R262 HydrophobicContact CB-CB 4.13Å; N259-R262 HydrophobicContact CB-CG 4.02Å; N259-R262 PolarHBondContact O-N 3.24Å; N259-R262 VanDerWaalsContact O-N 3.11Å
263	S	96.4	Very high	96.5	Very high	37 Å²	37	40.1 Å²	40.1	26%	0.259	21%	0.208	S	C	.	.			trans	-92.4	9.3	178.4	61.7	0	0	0	0	114.2	L223 Q230	L223-S263 VanDerWaalsContact CD1-CB 3.48Å; Q230-S263 PolarHBondContact NE2-O 2.77Å; Q230-S263 PolarHBondContact OE1-O 3.21Å
264	A	98.1	Very high	96.4	Very high	39 Å²	39	37.7 Å²	37.7	32%	0.322	20%	0.197	S	C	.	.			trans	-73.2	131.5	177.3	0	0	0	0	0	109.8	L257 C258	L257-A264 CarbonylContact C-O 3.49Å; L257-A264 WeakPolarHBondContact CA-O 3.37Å; C258-A264 HydrophobicContact CB-CB 4.22Å; C258-A264 PolarHBondContact N-O 3.09Å
265	I	98.6	Very high	96.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.4	-178.1	51.2	163	0	0	0	112.9	Y182 L207 F227 Q230 L231 I255 L256 L257	Y182-I265 WeakPolarHBondContact CD1-O 3.31Å; L207-I265 HydrophobicContact CD2-CG2 4.33Å; F227-I265 HydrophobicContact CD1-CD1 4.46Å; F227-I265 HydrophobicContact CD1-CG2 3.76Å; F227-I265 HydrophobicContact CE1-CG2 3.73Å; Q230-I265 HydrophobicContact CB-CD1 3.79Å; Q230-I265 HydrophobicContact CB-CG1 3.78Å; Q230-I265 HydrophobicContact CG-CG1 4.37Å; L231-I265 HydrophobicContact CD1-CD1 4.31Å; L231-I265 HydrophobicContact CD2-CD1 3.65Å; L231-I265 HydrophobicContact CG-CD1 3.61Å; I255-I265 HydrophobicContact CG2-CB 3.98Å; I255-I265 HydrophobicContact CG2-CD1 3.79Å; I255-I265 HydrophobicContact CG2-CG1 4.5Å; I255-I265 HydrophobicContact CG2-CG2 4.01Å; L256-I265 CarbonylContact O-C 3.51Å; L256-I265 WeakPolarHBondContact O-CA 3.49Å; L257-I265 HydrophobicContact CD2-CG2 3.74Å
266	K	98.8	Very high	95.7	Very high	14 Å²	14	42 Å²	42	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.3	163	-83.6	163.8	171.3	-100	0	111.1	Y182 I183 E201 L203 L256	Y182-K266 CarbonylContact O-C 3.55Å; Y182-K266 VanDerWaalsContact O-CA 3.22Å; Y182-K266 WeakPolarHBondContact O-CA 3.09Å; I183-K266 PolarHBondContact O-NZ 3.15Å; E201-K266 WeakPolarHBondContact OE1-CD 3.32Å; E201-K266 VanDerWaalsContact OE1-CE 3.31Å; E201-K266 WeakPolarHBondContact OE1-CE 3.42Å; E201-K266 IonicContact OE1-NZ 2.76Å; E201-K266 PolarHBondContact OE1-NZ 3.13Å; E201-K266 WeakPolarHBondContact OE2-CD 3.46Å; E201-K266 WeakPolarHBondContact OE2-CE 3.37Å; E201-K266 IonicContact OE2-NZ 3.44Å; E201-K266 PolarHBondContact OE2-NZ 2.92Å; L203-K266 HydrophobicContact CD1-CB 3.94Å; L203-K266 HydrophobicContact CD2-CD 3.89Å; L256-K266 PolarHBondContact N-O 3.23Å; L256-K266 PolarHBondContact O-N 3.29Å
267	I	98.8	Very high	95.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.1	173.5	-58.7	177.4	0	0	0	109.4	Y182 V184 L231 A234 H247 L250 F270	Y182-I267 PolarHBondContact O-N 3.47Å; V184-I267 WeakPolarHBondContact CB-O 3.34Å; V184-I267 WeakPolarHBondContact CG1-O 3.34Å; V184-I267 PolarHBondContact N-O 3Å; V184-I267 VanDerWaalsContact N-O 3.12Å; L231-I267 HydrophobicContact CD2-CD1 3.95Å; L231-I267 HydrophobicContact CD2-CG1 3.98Å; A234-I267 HydrophobicContact CB-CD1 3.57Å; A234-I267 HydrophobicContact CB-CG1 4.48Å; H247-I267 WeakPolarHBondContact NE2-CG2 3.45Å; L250-I267 HydrophobicContact CD2-CD1 4.25Å; L250-I267 HydrophobicContact CD2-CG2 3.85Å; I267-F270 HydrophobicContact CG2-CE2 4.09Å; I267-F270 HydrophobicContact CG2-CZ 4.11Å
268	V	98.2	Very high	94.6	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.145	26%	0.262	C	S	.	.			trans	-131.2	169.3	-178.7	-52.1	0	0	0	0	112.3	V184 L203 H247 N254 L256	V184-V268 HydrophobicContact CB-CG1 4.01Å; V184-V268 HydrophobicContact CG1-CB 4.44Å; V184-V268 HydrophobicContact CG1-CG1 4.24Å; V184-V268 HydrophobicContact CG2-CG1 4.25Å; L203-V268 HydrophobicContact CD1-CG1 3.86Å; H247-V268 PolarHBondContact NE2-O 3.36Å; N254-V268 HydrophobicContact CB-CG2 4.38Å; N254-V268 PolarHBondContact O-N 2.8Å; L256-V268 HydrophobicContact CD1-CG1 4.08Å; L256-V268 HydrophobicContact CD1-CG2 3.56Å; L256-V268 HydrophobicContact CD2-CG1 4.33Å
269	D	95.8	Very high	93.9	Very high	28 Å²	28	50.9 Å²	50.9	15%	0.15	27%	0.266	C	S	.	.			trans	67.9	60.9	173	-164.5	36.3	0	0	0	114.8	K150 G271	K150-D269 IonicContact NZ-OD1 3.68Å; K150-D269 PolarHBondContact NZ-OD1 3.23Å; D269-G271 PolarHBondContact O-N 3.49Å
270	F	96.8	Very high	93	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-72.8	11.9	172.3	-71.4	-101.3	0	0	0	112.9	E165 L169 M172 I183 L238 I245 H247 I267 S272 S273	E165-F270 HydrophobicContact CG-CB 4.09Å; E165-F270 PolarHBondContact OE1-N 2.88Å; L169-F270 HydrophobicContact CD2-CD2 4.05Å; M172-F270 HydrophobicContact CE-CD1 3.56Å; M172-F270 HydrophobicContact CE-CD2 4.06Å; M172-F270 HydrophobicContact CE-CE1 3.49Å; M172-F270 VanDerWaalsContact CE-CE1 3.49Å; M172-F270 HydrophobicContact CE-CE2 4.02Å; M172-F270 HydrophobicContact CE-CG 3.86Å; M172-F270 HydrophobicContact CE-CZ 3.75Å; M172-F270 HydrophobicContact SD-CD1 4.18Å; M172-F270 HydrophobicContact SD-CE1 3.58Å; M172-F270 VanDerWaalsContact SD-CE1 3.58Å; M172-F270 HydrophobicContact SD-CZ 3.9Å; I183-F270 HydrophobicContact CD1-CZ 4.15Å; I183-F270 HydrophobicContact CG2-CE2 3.83Å; I183-F270 HydrophobicContact CG2-CZ 3.87Å; L238-F270 HydrophobicContact CD1-CE1 4.09Å; L238-F270 HydrophobicContact CD1-CZ 4.47Å; L238-F270 HydrophobicContact CD2-CE1 4.05Å; L238-F270 HydrophobicContact CD2-CZ 4.41Å; I245-F270 HydrophobicContact CG2-CD1 4.39Å; I245-F270 HydrophobicContact CG2-CE1 4.32Å; H247-F270 AromaticContact CD2-CD1 3.82Å; H247-F270 AromaticContact CD2-CE1 3.57Å; H247-F270 AromaticContact CD2-CZ 3.68Å; I267-F270 HydrophobicContact CG2-CE2 4.09Å; I267-F270 HydrophobicContact CG2-CZ 4.11Å; F270-S272 PolarHBondContact O-N 2.8Å; F270-S272 VanDerWaalsContact O-N 3.13Å; F270-S273 VanDerWaalsContact CA-OG 3.28Å; F270-S273 WeakPolarHBondContact CA-OG 3.48Å; F270-S273 WeakPolarHBondContact CD1-OG 3.45Å; F270-S273 WeakPolarHBondContact O-CB 3.42Å; F270-S273 PolarHBondContact O-N 3.32Å; F270-S273 PolarHBondContact O-OG 3.35Å
271	G	92.6	Very high	92.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.01	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-62.8	-11.8	176.4	0	0	0	0	0	114.9	F132 Q161 E165 D269	F132-G271 WeakPolarHBondContact CE1-O 3.41Å; Q161-G271 WeakPolarHBondContact CG-O 3.35Å; Q161-G271 PolarHBondContact NE2-O 2.74Å; E165-G271 PolarHBondContact OE1-N 2.85Å; D269-G271 PolarHBondContact O-N 3.49Å
272	S	93.3	Very high	92.5	Very high	30 Å²	30	52.4 Å²	52.4	21%	0.21	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-107.3	-5	171.9	-58.9	0	0	0	0	114.1	C248 F270	C248-S272 VanDerWaalsContact CB-O 3.23Å; C248-S272 WeakPolarHBondContact CB-O 3.45Å; F270-S272 PolarHBondContact O-N 2.8Å; F270-S272 VanDerWaalsContact O-N 3.13Å
273	S	96.1	Very high	92.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	25%	0.253	C	S	.	.			trans	-79.7	157.3	-165.2	-53	0	0	0	0	113.7	I246 H247 F270	I246-S273 VanDerWaalsContact O-CA 3.25Å; I246-S273 WeakPolarHBondContact O-CA 3.34Å; I246-S273 VanDerWaalsContact O-CB 3.22Å; I246-S273 WeakPolarHBondContact O-CB 3.27Å; H247-S273 WeakPolarHBondContact CA-OG 3.36Å; H247-S273 WeakPolarHBondContact O-CA 3.38Å; H247-S273 PolarHBondContact O-OG 3.29Å; F270-S273 VanDerWaalsContact CA-OG 3.28Å; F270-S273 WeakPolarHBondContact CA-OG 3.48Å; F270-S273 WeakPolarHBondContact CD1-OG 3.45Å; F270-S273 WeakPolarHBondContact O-CB 3.42Å; F270-S273 PolarHBondContact O-N 3.32Å; F270-S273 PolarHBondContact O-OG 3.35Å
274	C	94.7	Very high	92.3	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.068	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.7	175.4	61.2	0	0	0	0	111.8	I246 Q278	I246-C274 PolarHBondContact N-O 3.49Å; I246-C274 PolarHBondContact O-N 2.96Å; I246-C274 VanDerWaalsContact O-N 3.07Å; C274-Q278 WeakPolarHBondContact CB-O 3.26Å
275	Q	93.7	Very high	92.2	Very high	27 Å²	27	46 Å²	46	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	150.5	168.4	-62.1	-172.2	-83	0	0	110.8	L168 L243 S244 I245 G277 Q278	L168-Q275 HydrophobicContact CD2-CG 3.74Å; L243-Q275 PolarHBondContact O-NE2 3.34Å; S244-Q275 CarbonylContact O-C 3.56Å; S244-Q275 WeakPolarHBondContact O-CA 3.35Å; I245-Q275 HydrophobicContact CG1-CG 4.22Å; Q275-G277 PolarHBondContact O-N 2.91Å; Q275-Q278 CarbonylContact O-C 3.49Å; Q275-Q278 WeakPolarHBondContact O-CA 3.34Å; Q275-Q278 PolarHBondContact O-N 3.03Å
276	L	90.5	Very high	92.2	Very high	75 Å²	75	47.8 Å²	47.8	39%	0.393	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	137.7	171.6	-168.3	64.2	0	0	0	110.2	S244 I246 Q278 D301 L302	S244-L276 PolarHBondContact O-N 2.81Å; I246-L276 HydrophobicContact CD1-CD1 4.39Å; L276-Q278 PolarHBondContact O-N 3.2Å; L276-D301 HydrophobicContact CD1-CB 3.9Å; L276-L302 HydrophobicContact CB-CD1 4.44Å; L276-L302 HydrophobicContact CD1-CD1 4.31Å; L276-L302 HydrophobicContact CD2-CD1 4.24Å
277	G	86.3	Confident	92.2	Very high	60 Å²	60	49 Å²	49	62%	0.619	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-32.6	-171	0	0	0	0	0	114.6	Q275 R279	Q275-G277 PolarHBondContact O-N 2.91Å; G277-R279 VanDerWaalsContact C-N 3.34Å; G277-R279 PolarHBondContact O-N 3.12Å
278	Q	86.9	Confident	92.2	Very high	102 Å²	102	52.3 Å²	52.3	48%	0.477	26%	0.261	S	S	.	.			trans	-95.4	41.9	177.7	-66.7	172.6	51.9	0	0	112.2	C274 Q275 L276 I280	C274-Q278 WeakPolarHBondContact CB-O 3.26Å; Q275-Q278 CarbonylContact O-C 3.49Å; Q275-Q278 WeakPolarHBondContact O-CA 3.34Å; Q275-Q278 PolarHBondContact O-N 3.03Å; L276-Q278 PolarHBondContact O-N 3.2Å; Q278-I280 PolarHBondContact O-N 3.23Å
279	R	81.8	Confident	92.2	Very high	110 Å²	110	51.6 Å²	51.6	42%	0.415	26%	0.256	S	S	.	.			trans	-78.5	116.9	-177.5	-69.9	170.5	-68.4	-138.5	-8	111.1	I246 G277 Y300	I246-R279 HydrophobicContact CD1-CG 4.4Å; G277-R279 VanDerWaalsContact C-N 3.34Å; G277-R279 PolarHBondContact O-N 3.12Å; R279-Y300 VanDerWaalsContact CD-O 3.24Å; R279-Y300 WeakPolarHBondContact CD-O 3.25Å; R279-Y300 HydrophobicContact CG-CE2 4.05Å; R279-Y300 PolarHBondContact NH1-O 2.8Å
280	I	76.8	Confident	92.3	Very high	93 Å²	93	50.4 Å²	50.4	48%	0.477	25%	0.25	S	C	.	.			trans	-96.4	-32.5	-172.8	-49.3	179.5	0	0	0	112.8	I164 Q278	I164-I280 HydrophobicContact CD1-CD1 3.75Å; Q278-I280 PolarHBondContact O-N 3.23Å
281	Y	85.5	Confident	92.4	Very high	111 Å²	111	50.4 Å²	50.4	44%	0.435	25%	0.25	S	C	.	.			trans	-125.3	135.1	-163	-58.8	-59	0	0	0	113.8	Q161 Y300	Q161-Y281 PolarHBondContact OE1-OH 2.81Å; Y281-Y300 PolarHBondContact O-OH 3.26Å
282	Q	87.1	Confident	92.7	Very high	155 Å²	155	50.4 Å²	50.4	72%	0.724	25%	0.249	S	C	*	.	S	Bend	trans	-88.3	-10.4	173.8	-61.8	-175.3	14.5	0	0	114.3
283	Y	92.1	Very high	93	Very high	101 Å²	101	49.1 Å²	49.1	40%	0.396	24%	0.24	S	C	.	.	S	Bend	trans	-124	97	180	-176.9	-87.2	0	0	0	107.8	R290 E328	Y283-R290 PolarHBondContact OH-NH2 3.24Å; Y283-E328 WeakPolarHBondContact CE2-OE1 3.41Å
284	I	95.3	Very high	93.1	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.067	24%	0.241	C	C	.	.			trans	-131.7	177	-176.1	58.3	171.3	0	0	0	110	C248 R290 V294 Y300 I304	C248-I284 HydrophobicContact CB-CB 4.35Å; C248-I284 HydrophobicContact CB-CD1 4.24Å; I284-R290 VanDerWaalsContact O-CZ 3.29Å; I284-R290 PolarHBondContact O-NE 2.77Å; I284-R290 PolarHBondContact O-NH2 3.25Å; I284-R290 VanDerWaalsContact O-NH2 3.15Å; I284-V294 HydrophobicContact CD1-CG2 4.16Å; I284-V294 HydrophobicContact CG1-CG1 3.79Å; I284-V294 HydrophobicContact CG1-CG2 4.08Å; I284-Y300 HydrophobicContact CD1-CD1 4.32Å; I284-Y300 HydrophobicContact CD1-CD2 3.88Å; I284-Y300 HydrophobicContact CD1-CE1 3.95Å; I284-Y300 HydrophobicContact CD1-CE2 3.45Å; I284-Y300 VanDerWaalsContact CD1-CE2 3.45Å; I284-Y300 HydrophobicContact CD1-CG 4.3Å; I284-Y300 VanDerWaalsContact CD1-CZ 3.5Å; I284-I304 HydrophobicContact CD1-CD1 3.4Å; I284-I304 VanDerWaalsContact CD1-CD1 3.4Å; I284-I304 HydrophobicContact CG1-CD1 4.47Å
285	Q	97.8	Very high	93.2	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	24%	0.238	C	C	.	.	S	Bend	trans	60.7	135.6	-176.5	-54.7	170.7	-71.6	0	0	115	C248 R287 Y289 R290 I304 S308	C248-Q285 WeakPolarHBondContact O-CA 3.41Å; C248-Q285 VanDerWaalsContact O-CG 3.27Å; C248-Q285 WeakPolarHBondContact O-CG 3.45Å; C248-Q285 PolarHBondContact O-N 2.78Å; Q285-R287 PolarHBondContact O-N 3.17Å; Q285-Y289 PolarHBondContact NE2-O 2.87Å; Q285-R290 HydrophobicContact CB-CB 3.97Å; Q285-R290 HydrophobicContact CB-CG 4.18Å; Q285-R290 PolarHBondContact O-NE 3.44Å; Q285-R290 PolarHBondContact O-NH2 3.05Å; Q285-I304 HydrophobicContact CG-CD1 4.16Å; Q285-I304 PolarHBondContact NE2-O 3.28Å; Q285-I304 VanDerWaalsContact NE2-O 3.09Å; Q285-S308 PolarHBondContact NE2-OG 2.99Å
286	S	97.4	Very high	93.5	Very high	38 Å²	38	47.5 Å²	47.5	27%	0.266	23%	0.232	S	C	.	.			trans	-60.1	130.3	166.3	-70.7	0	0	0	0	110	D249 K251 F288 Y289 R290	D249-S286 WeakPolarHBondContact OD1-CA 3.31Å; D249-S286 WeakPolarHBondContact OD1-CB 3.1Å; D249-S286 PolarHBondContact OD1-N 2.92Å; D249-S286 PolarHBondContact OD1-OG 3.07Å; D249-S286 PolarHBondContact OD2-OG 3.47Å; K251-S286 WeakPolarHBondContact CD-OG 3.23Å; S286-F288 VanDerWaalsContact C-N 3.31Å; S286-F288 PolarHBondContact O-N 2.84Å; S286-Y289 PolarHBondContact O-N 2.86Å; S286-R290 PolarHBondContact O-N 3Å
287	R	98.3	Very high	93.8	Very high	40 Å²	40	45.1 Å²	45.1	15%	0.151	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-52.9	-40.4	-155.5	-174.2	-171.8	-67.4	128.5	0.7	115	Q285 Y289 R290 G325 A326 Q331	Q285-R287 PolarHBondContact O-N 3.17Å; R287-Y289 PolarHBondContact O-N 2.83Å; R287-R290 WeakPolarHBondContact O-CB 3.29Å; R287-R290 PolarHBondContact O-N 2.75Å; R287-G325 WeakPolarHBondContact CD-O 3.37Å; R287-A326 PolarHBondContact NH1-O 3.18Å; R287-Q331 HydrophobicContact CG-CB 4.27Å; R287-Q331 HydrophobicContact CG-CG 4.18Å; R287-Q331 PolarHBondContact O-NE2 3.24Å; R287-Q331 VanDerWaalsContact O-NE2 3.08Å
288	F	98.7	Very high	94.3	Very high	70 Å²	70	44 Å²	44	31%	0.307	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-64.7	-26.1	-177	-60.2	-17.6	0	0	0	113.3	S286 P321 F323 G325 Q331	S286-F288 VanDerWaalsContact C-N 3.31Å; S286-F288 PolarHBondContact O-N 2.84Å; F288-P321 HydrophobicContact CD2-CB 3.81Å; F288-P321 HydrophobicContact CD2-CG 3.93Å; F288-P321 HydrophobicContact CE2-CB 4.32Å; F288-P321 HydrophobicContact CE2-CG 4.08Å; F288-P321 HydrophobicContact CG-CB 4.35Å; F288-F323 WeakPolarHBondContact CA-O 3.49Å; F288-F323 WeakPolarHBondContact CD1-O 3.22Å; F288-G325 WeakPolarHBondContact CE1-O 3.42Å; F288-Q331 PolarHBondContact O-NE2 3.02Å
289	Y	98.8	Very high	94.7	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.035	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-104.9	2.7	-177.6	-38.3	-74	0	0	0	112.1	K251 P252 Q285 S286 R287 W307 S308 C311 I312 E315	K251-Y289 HydrophobicContact CB-CD2 3.56Å; K251-Y289 HydrophobicContact CB-CE2 3.36Å; K251-Y289 HydrophobicContact CB-CG 4.41Å; P252-Y289 WeakPolarHBondContact CD-OH 3.49Å; P252-Y289 HydrophobicContact CG-CE1 4.34Å; Q285-Y289 PolarHBondContact NE2-O 2.87Å; S286-Y289 PolarHBondContact O-N 2.86Å; R287-Y289 PolarHBondContact O-N 2.83Å; Y289-W307 VanDerWaalsContact O-CD1 3.27Å; Y289-S308 PolarHBondContact O-OG 2.9Å; Y289-C311 HydrophobicContact CD1-CB 3.88Å; Y289-I312 HydrophobicContact CD1-CG1 3.79Å; Y289-I312 HydrophobicContact CE1-CG1 4.01Å; Y289-E315 WeakPolarHBondContact CE1-OE2 3.49Å; Y289-E315 PolarHBondContact OH-OE2 3.36Å
290	R	98.8	Very high	95.4	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.015	20%	0.2	C	C	.	.			trans	-70.4	136.3	-178.2	-174.5	178.6	-66.1	164.5	4.3	111.7	Y283 I284 Q285 S286 R287 V294 L295 W307 E328	Y283-R290 PolarHBondContact OH-NH2 3.24Å; I284-R290 VanDerWaalsContact O-CZ 3.29Å; I284-R290 PolarHBondContact O-NE 2.77Å; I284-R290 PolarHBondContact O-NH2 3.25Å; I284-R290 VanDerWaalsContact O-NH2 3.15Å; Q285-R290 HydrophobicContact CB-CB 3.97Å; Q285-R290 HydrophobicContact CB-CG 4.18Å; Q285-R290 PolarHBondContact O-NE 3.44Å; Q285-R290 PolarHBondContact O-NH2 3.05Å; S286-R290 PolarHBondContact O-N 3Å; R287-R290 WeakPolarHBondContact O-CB 3.29Å; R287-R290 PolarHBondContact O-N 2.75Å; R290-V294 HydrophobicContact CG-CB 3.98Å; R290-V294 HydrophobicContact CG-CG1 3.89Å; R290-L295 HydrophobicContact CG-CD2 4.42Å; R290-L295 HydrophobicContact CG-CG 4.06Å; R290-W307 PolarHBondContact O-NE1 3.17Å; R290-E328 IonicContact NH1-OE1 3.76Å; R290-E328 PolarHBondContact NH1-OE1 3.37Å
291	S	98.8	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.			trans	-82.3	160.7	-176.5	72	0	0	0	0	114.1	E293 V294 L295 I304	S291-E293 WeakPolarHBondContact CB-OE1 3.37Å; S291-E293 PolarHBondContact O-N 3.38Å; S291-E293 PolarHBondContact OG-OE1 2.98Å; S291-V294 PolarHBondContact O-N 3.11Å; S291-L295 PolarHBondContact O-N 3.47Å; S291-L295 VanDerWaalsContact O-N 3.16Å; S291-I304 WeakPolarHBondContact OG-CG2 3.48Å
292	P	98.6	Very high	97	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-44.8	-179	-25.3	35.9	0	0	0	112.6	V294 L295 L296 W307 Y423	P292-V294 VanDerWaalsContact C-N 3.34Å; P292-V294 PolarHBondContact O-N 3.03Å; P292-L295 WeakPolarHBondContact O-CB 3.19Å; P292-L295 PolarHBondContact O-N 3.35Å; P292-L296 VanDerWaalsContact O-CB 3.23Å; P292-L296 WeakPolarHBondContact O-CB 3.32Å; P292-L296 WeakPolarHBondContact O-CG 3.39Å; P292-L296 PolarHBondContact O-N 2.91Å; P292-W307 HydrophobicContact CG-CD2 4.4Å; P292-W307 HydrophobicContact CG-CE3 3.99Å; P292-W307 HydrophobicContact CG-CH2 3.46Å; P292-W307 VanDerWaalsContact CG-CH2 3.46Å; P292-W307 HydrophobicContact CG-CZ2 3.91Å; P292-W307 HydrophobicContact CG-CZ3 3.5Å; P292-W307 VanDerWaalsContact CG-CZ3 3.5Å; P292-Y423 HydrophobicContact CB-CD1 3.83Å; P292-Y423 HydrophobicContact CB-CE1 4.15Å; P292-Y423 HydrophobicContact CG-CD1 3.61Å; P292-Y423 HydrophobicContact CG-CE1 3.89Å
293	E	98.5	Very high	97.5	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-37.9	-179.4	58.6	-77.7	175.8	0	0	112.8	S291 L296 G297 M298 I304 P425 R428	S291-E293 WeakPolarHBondContact CB-OE1 3.37Å; S291-E293 PolarHBondContact O-N 3.38Å; S291-E293 PolarHBondContact OG-OE1 2.98Å; E293-L296 CarbonylContact O-C 3.58Å; E293-L296 PolarHBondContact O-N 2.88Å; E293-G297 PolarHBondContact O-N 2.83Å; E293-M298 HydrophobicContact CB-CB 4.08Å; E293-M298 PolarHBondContact O-N 3.37Å; E293-I304 HydrophobicContact CG-CG2 4.42Å; E293-I304 WeakPolarHBondContact OE1-CG2 3.29Å; E293-P425 HydrophobicContact CG-CG 4.48Å; E293-R428 IonicContact OE1-CZ 3.57Å; E293-R428 IonicContact OE1-NH1 2.99Å; E293-R428 PolarHBondContact OE1-NH1 2.87Å; E293-R428 IonicContact OE1-NH2 2.68Å; E293-R428 PolarHBondContact OE1-NH2 2.99Å; E293-R428 IonicContact OE2-CZ 3.81Å; E293-R428 IonicContact OE2-NH1 2.82Å; E293-R428 IonicContact OE2-NH2 2.89Å; E293-R428 PolarHBondContact OE2-NH2 2.99Å
294	V	98.3	Very high	97.9	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.03	13%	0.133	C	C	.	.	H	α-helix	trans	-69.1	-43.2	174.9	178.2	0	0	0	0	111.3	I284 R290 S291 P292 L296 G297 Y300 I304	I284-V294 HydrophobicContact CD1-CG2 4.16Å; I284-V294 HydrophobicContact CG1-CG1 3.79Å; I284-V294 HydrophobicContact CG1-CG2 4.08Å; R290-V294 HydrophobicContact CG-CB 3.98Å; R290-V294 HydrophobicContact CG-CG1 3.89Å; S291-V294 PolarHBondContact O-N 3.11Å; P292-V294 VanDerWaalsContact C-N 3.34Å; P292-V294 PolarHBondContact O-N 3.03Å; V294-L296 VanDerWaalsContact C-N 3.33Å; V294-L296 PolarHBondContact O-N 2.75Å; V294-G297 PolarHBondContact O-N 2.87Å; V294-Y300 HydrophobicContact CG2-CD1 4.47Å; V294-Y300 HydrophobicContact CG2-CG 4.31Å; V294-I304 HydrophobicContact CG2-CG2 4.04Å
295	L	98.4	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-42.3	174	-73.6	166	0	0	0	111.8	R290 S291 P292 G297 E328 Q331 M332 I335 K352 F356	R290-L295 HydrophobicContact CG-CD2 4.42Å; R290-L295 HydrophobicContact CG-CG 4.06Å; S291-L295 PolarHBondContact O-N 3.47Å; S291-L295 VanDerWaalsContact O-N 3.16Å; P292-L295 WeakPolarHBondContact O-CB 3.19Å; P292-L295 PolarHBondContact O-N 3.35Å; L295-G297 VanDerWaalsContact C-N 3.27Å; L295-G297 PolarHBondContact O-N 2.89Å; L295-E328 HydrophobicContact CD2-CB 3.88Å; L295-E328 HydrophobicContact CD2-CG 4.03Å; L295-Q331 HydrophobicContact CD1-CB 4.43Å; L295-Q331 HydrophobicContact CD1-CG 3.89Å; L295-Q331 HydrophobicContact CD2-CB 4.45Å; L295-Q331 HydrophobicContact CD2-CG 4.4Å; L295-M332 HydrophobicContact CB-CE 3.78Å; L295-M332 HydrophobicContact CD1-CE 4.03Å; L295-I335 HydrophobicContact CD1-CD1 3.78Å; L295-K352 WeakPolarHBondContact O-CD 3.44Å; L295-F356 HydrophobicContact CB-CZ 4.41Å; L295-F356 VanDerWaalsContact O-CE2 3.27Å; L295-F356 WeakPolarHBondContact O-CE2 3.39Å; L295-F356 WeakPolarHBondContact O-CZ 3.5Å
296	L	98.2	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-75.5	-10.9	178.1	-70.6	172.6	0	0	0	113.4	P292 E293 V294 M298 M332 I346 M347 A350 P351 K352 F356 F357	P292-L296 VanDerWaalsContact O-CB 3.23Å; P292-L296 WeakPolarHBondContact O-CB 3.32Å; P292-L296 WeakPolarHBondContact O-CG 3.39Å; P292-L296 PolarHBondContact O-N 2.91Å; E293-L296 CarbonylContact O-C 3.58Å; E293-L296 PolarHBondContact O-N 2.88Å; V294-L296 VanDerWaalsContact C-N 3.33Å; V294-L296 PolarHBondContact O-N 2.75Å; L296-M298 VanDerWaalsContact C-N 3.34Å; L296-M298 HydrophobicContact CB-CG 4.22Å; L296-M298 HydrophobicContact CB-SD 4.27Å; L296-M298 HydrophobicContact CD1-SD 4.33Å; L296-M332 HydrophobicContact CD2-CE 4.08Å; L296-M332 HydrophobicContact CG-CE 3.95Å; L296-I346 HydrophobicContact CD1-CG2 3.97Å; L296-M347 HydrophobicContact CD2-SD 4.33Å; L296-A350 HydrophobicContact CB-CB 3.81Å; L296-A350 HydrophobicContact CD1-CB 4.13Å; L296-A350 HydrophobicContact CD2-CB 3.99Å; L296-A350 HydrophobicContact CG-CB 4.18Å; L296-P351 WeakPolarHBondContact O-CD 3.41Å; L296-K352 WeakPolarHBondContact O-CA 3.34Å; L296-K352 VanDerWaalsContact O-CB 3.23Å; L296-K352 WeakPolarHBondContact O-CB 3.35Å; L296-K352 WeakPolarHBondContact O-CG 3.47Å; L296-K352 PolarHBondContact O-N 2.89Å; L296-F356 HydrophobicContact CD2-CD2 4.12Å; L296-F356 HydrophobicContact CD2-CE2 4.37Å; L296-F357 HydrophobicContact CD2-CE2 4.49Å
297	G	96.9	Very high	98.1	Very high	24 Å²	24	21 Å²	21	25%	0.247	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	26.5	178.3	0	0	0	0	0	114.1	E293 V294 L295	E293-G297 PolarHBondContact O-N 2.83Å; V294-G297 PolarHBondContact O-N 2.87Å; L295-G297 VanDerWaalsContact C-N 3.27Å; L295-G297 PolarHBondContact O-N 2.89Å
298	M	96.8	Very high	98.2	Very high	36 Å²	36	19.1 Å²	19.1	18%	0.177	11%	0.109	C	C	.	.			trans	-82.3	164.1	174.4	-66.1	174.4	73.3	0	0	110.8	E293 L296 I346 L349 A350	E293-M298 HydrophobicContact CB-CB 4.08Å; E293-M298 PolarHBondContact O-N 3.37Å; L296-M298 VanDerWaalsContact C-N 3.34Å; L296-M298 HydrophobicContact CB-CG 4.22Å; L296-M298 HydrophobicContact CB-SD 4.27Å; L296-M298 HydrophobicContact CD1-SD 4.33Å; M298-I346 HydrophobicContact CE-CG2 3.96Å; M298-I346 HydrophobicContact SD-CG2 3.53Å; M298-I346 VanDerWaalsContact SD-CG2 3.53Å; M298-L349 HydrophobicContact CE-CB 4.2Å; M298-A350 HydrophobicContact CG-CB 4.06Å; M298-A350 HydrophobicContact SD-CB 3.86Å
299	P	95.6	Very high	98.2	Very high	112 Å²	112	15.8 Å²	15.8	73%	0.727	10%	0.095	S	C	*	.			trans	-56.1	145.6	164.9	-22.3	34.2	0	0	0	111.3
300	Y	96.8	Very high	98.2	Very high	20 Å²	20	15.4 Å²	15.4	8%	0.078	9%	0.093	C	C	.	.			trans	-134.6	159.8	-177.3	70.5	-93.1	0	0	0	111.6	I246 R279 Y281 I284 V294 I304	I246-Y300 HydrophobicContact CD1-CD2 4.08Å; I246-Y300 HydrophobicContact CD1-CE2 3.86Å; R279-Y300 VanDerWaalsContact CD-O 3.24Å; R279-Y300 WeakPolarHBondContact CD-O 3.25Å; R279-Y300 HydrophobicContact CG-CE2 4.05Å; R279-Y300 PolarHBondContact NH1-O 2.8Å; Y281-Y300 PolarHBondContact O-OH 3.26Å; I284-Y300 HydrophobicContact CD1-CD1 4.32Å; I284-Y300 HydrophobicContact CD1-CD2 3.88Å; I284-Y300 HydrophobicContact CD1-CE1 3.95Å; I284-Y300 HydrophobicContact CD1-CE2 3.45Å; I284-Y300 VanDerWaalsContact CD1-CE2 3.45Å; I284-Y300 HydrophobicContact CD1-CG 4.3Å; I284-Y300 VanDerWaalsContact CD1-CZ 3.5Å; V294-Y300 HydrophobicContact CG2-CD1 4.47Å; V294-Y300 HydrophobicContact CG2-CG 4.31Å; Y300-I304 HydrophobicContact CD2-CD1 3.92Å; Y300-I304 HydrophobicContact CD2-CG2 4.16Å; Y300-I304 HydrophobicContact CE2-CD1 4.24Å; Y300-I304 HydrophobicContact CG-CG2 4.31Å
301	D	97.4	Very high	98.2	Very high	59 Å²	59	15.3 Å²	15.3	32%	0.316	9%	0.093	S	C	.	.			trans	-141.4	-154.1	179.5	57.2	39.3	0	0	0	110.4	L276 A303	L276-D301 HydrophobicContact CD1-CB 3.9Å; D301-A303 PolarHBondContact O-N 3.15Å; D301-A303 WeakPolarHBondContact OD1-CB 3.28Å; D301-A303 PolarHBondContact OD1-N 2.62Å
302	L	98.2	Very high	98.2	Very high	41 Å²	41	15.3 Å²	15.3	22%	0.215	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	-178.2	-63.5	78.9	0	0	0	113	A239 I246 L276 I304 D305	A239-L302 VanDerWaalsContact CA-CD2 3.48Å; A239-L302 HydrophobicContact CB-CD2 3.6Å; I246-L302 HydrophobicContact CG1-CD1 4.12Å; I246-L302 HydrophobicContact CG1-CG 4.01Å; L276-L302 HydrophobicContact CB-CD1 4.44Å; L276-L302 HydrophobicContact CD1-CD1 4.31Å; L276-L302 HydrophobicContact CD2-CD1 4.24Å; L302-I304 PolarHBondContact O-N 2.71Å; L302-I304 VanDerWaalsContact O-N 3.15Å; L302-D305 PolarHBondContact O-N 3.26Å
303	A	98.8	Very high	98.2	Very high	12 Å²	12	15.2 Å²	15.2	10%	0.099	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-16.9	180	0	0	0	0	0	113.6	D301 D305 M306 W307 P425 R428	D301-A303 PolarHBondContact O-N 3.15Å; D301-A303 WeakPolarHBondContact OD1-CB 3.28Å; D301-A303 PolarHBondContact OD1-N 2.62Å; A303-D305 VanDerWaalsContact C-N 3.28Å; A303-D305 PolarHBondContact O-N 3.23Å; A303-M306 PolarHBondContact O-N 3.37Å; A303-W307 PolarHBondContact O-N 2.85Å; A303-P425 HydrophobicContact CB-CB 3.7Å; A303-R428 WeakPolarHBondContact O-CD 3.43Å; A303-R428 PolarHBondContact O-NH1 3.48Å
304	I	98.8	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-32.1	175.4	76.3	177.1	0	0	0	112.1	I246 I284 Q285 S291 E293 V294 Y300 L302 W307 S308	I246-I304 HydrophobicContact CG2-CD1 3.52Å; I246-I304 HydrophobicContact CG2-CG1 3.67Å; I284-I304 HydrophobicContact CD1-CD1 3.4Å; I284-I304 VanDerWaalsContact CD1-CD1 3.4Å; I284-I304 HydrophobicContact CG1-CD1 4.47Å; Q285-I304 HydrophobicContact CG-CD1 4.16Å; Q285-I304 PolarHBondContact NE2-O 3.28Å; Q285-I304 VanDerWaalsContact NE2-O 3.09Å; S291-I304 WeakPolarHBondContact OG-CG2 3.48Å; E293-I304 HydrophobicContact CG-CG2 4.42Å; E293-I304 WeakPolarHBondContact OE1-CG2 3.29Å; V294-I304 HydrophobicContact CG2-CG2 4.04Å; Y300-I304 HydrophobicContact CD2-CD1 3.92Å; Y300-I304 HydrophobicContact CD2-CG2 4.16Å; Y300-I304 HydrophobicContact CE2-CD1 4.24Å; Y300-I304 HydrophobicContact CG-CG2 4.31Å; L302-I304 PolarHBondContact O-N 2.71Å; L302-I304 VanDerWaalsContact O-N 3.15Å; I304-W307 PolarHBondContact O-N 3.07Å; I304-S308 PolarHBondContact O-N 3.49Å; I304-S308 PolarHBondContact O-OG 3.38Å
305	D	98.9	Very high	98.3	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-79.2	-30.5	-178.5	-68.8	-41.4	0	0	0	111.2	L235 I246 H247 C248 L250 L302 A303 S308 L309	L235-D305 HydrophobicContact CD1-CB 4.29Å; L235-D305 HydrophobicContact CD2-CB 3.78Å; I246-D305 WeakPolarHBondContact CG2-OD2 3.22Å; H247-D305 PolarHBondContact N-OD2 3.03Å; C248-D305 PolarHBondContact N-OD1 2.89Å; L250-D305 HydrophobicContact CD1-CB 3.94Å; L302-D305 PolarHBondContact O-N 3.26Å; A303-D305 VanDerWaalsContact C-N 3.28Å; A303-D305 PolarHBondContact O-N 3.23Å; D305-S308 WeakPolarHBondContact O-CB 3.26Å; D305-S308 PolarHBondContact O-N 3.25Å; D305-L309 WeakPolarHBondContact O-CB 3.23Å; D305-L309 PolarHBondContact O-N 3.48Å
306	M	98.9	Very high	98.3	Very high	4 Å²	4	15 Å²	15	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-38.1	168.4	-71.8	-56.5	-57.8	0	0	112.5	L235 A303 L309 G310 M420 I429 P431 A434	L235-M306 HydrophobicContact CB-SD 4.39Å; L235-M306 HydrophobicContact CD1-CG 4.41Å; L235-M306 HydrophobicContact CD1-SD 3.53Å; L235-M306 VanDerWaalsContact CD1-SD 3.53Å; A303-M306 PolarHBondContact O-N 3.37Å; M306-L309 HydrophobicContact CE-CD2 4.23Å; M306-L309 PolarHBondContact O-N 3.28Å; M306-L309 HydrophobicContact SD-CD2 4.3Å; M306-G310 PolarHBondContact O-N 3.21Å; M306-M420 HydrophobicContact CE-CE 3.82Å; M306-M420 HydrophobicContact CE-CG 4.04Å; M306-I429 HydrophobicContact CE-CG2 4.14Å; M306-I429 WeakPolarHBondContact CE-O 3.24Å; M306-I429 WeakPolarHBondContact CG-O 3.28Å; M306-P431 HydrophobicContact CG-CG 4.32Å; M306-P431 HydrophobicContact SD-CB 4.38Å; M306-P431 HydrophobicContact SD-CG 3.73Å; M306-A434 HydrophobicContact CE-CB 4.02Å
307	W	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.6	-43.6	170.9	173.9	-79.4	0	0	0	111.5	Y289 R290 P292 A303 I304 L309 G310 C311 F323 I335 L339 M420 L421	Y289-W307 VanDerWaalsContact O-CD1 3.27Å; R290-W307 PolarHBondContact O-NE1 3.17Å; P292-W307 HydrophobicContact CG-CD2 4.4Å; P292-W307 HydrophobicContact CG-CE3 3.99Å; P292-W307 HydrophobicContact CG-CH2 3.46Å; P292-W307 VanDerWaalsContact CG-CH2 3.46Å; P292-W307 HydrophobicContact CG-CZ2 3.91Å; P292-W307 HydrophobicContact CG-CZ3 3.5Å; P292-W307 VanDerWaalsContact CG-CZ3 3.5Å; A303-W307 PolarHBondContact O-N 2.85Å; I304-W307 PolarHBondContact O-N 3.07Å; W307-L309 VanDerWaalsContact C-N 3.32Å; W307-L309 PolarHBondContact O-N 3.46Å; W307-G310 PolarHBondContact O-N 3Å; W307-C311 PolarHBondContact O-N 3.18Å; W307-C311 VanDerWaalsContact O-N 3.08Å; W307-C311 PolarHBondContact O-SG 3.06Å; W307-F323 HydrophobicContact CH2-CE2 4.39Å; W307-F323 HydrophobicContact CZ2-CD2 4.3Å; W307-F323 AromaticContact CZ2-CE2 3.77Å; W307-F323 HydrophobicContact CZ2-CE2 3.77Å; W307-F323 HydrophobicContact CZ2-CZ 4.49Å; W307-I335 HydrophobicContact CH2-CG2 3.71Å; W307-I335 HydrophobicContact CZ2-CD1 3.89Å; W307-I335 HydrophobicContact CZ2-CG1 4.11Å; W307-I335 HydrophobicContact CZ2-CG2 4.02Å; W307-L339 HydrophobicContact CH2-CD1 3.59Å; W307-L339 HydrophobicContact CZ3-CD1 4.01Å; W307-M420 WeakPolarHBondContact CA-O 3.15Å; W307-L421 HydrophobicContact CD2-CD2 3.71Å; W307-L421 HydrophobicContact CE3-CB 4.27Å; W307-L421 HydrophobicContact CE3-CD2 3.83Å; W307-L421 HydrophobicContact CG-CD2 4.22Å; W307-L421 HydrophobicContact CH2-CB 4.48Å; W307-L421 HydrophobicContact CH2-CD2 4.29Å; W307-L421 HydrophobicContact CZ2-CD2 4.19Å; W307-L421 HydrophobicContact CZ3-CB 4.02Å; W307-L421 HydrophobicContact CZ3-CD2 4.13Å; W307-L421 WeakPolarHBondContact CZ3-O 3.49Å
308	S	98.9	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-45.8	177.6	-53.2	0	0	0	0	110.5	Q285 Y289 I304 D305 G310 C311 I312	Q285-S308 PolarHBondContact NE2-OG 2.99Å; Y289-S308 PolarHBondContact O-OG 2.9Å; I304-S308 PolarHBondContact O-N 3.49Å; I304-S308 PolarHBondContact O-OG 3.38Å; D305-S308 WeakPolarHBondContact O-CB 3.26Å; D305-S308 PolarHBondContact O-N 3.25Å; S308-G310 PolarHBondContact O-N 3.46Å; S308-C311 WeakPolarHBondContact O-CB 3.24Å; S308-C311 PolarHBondContact O-N 3.45Å; S308-I312 WeakPolarHBondContact O-CD1 3.46Å; S308-I312 VanDerWaalsContact O-CG1 3.24Å; S308-I312 WeakPolarHBondContact O-CG1 3.21Å; S308-I312 PolarHBondContact O-N 3.16Å
309	L	98.9	Very high	98.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-45	174.7	179.8	59	0	0	0	112.3	L231 L235 D305 M306 W307 C311 I312 L313 M420	L231-L309 HydrophobicContact CB-CD1 3.57Å; L231-L309 HydrophobicContact CB-CD2 4.11Å; L231-L309 HydrophobicContact CD1-CD1 3.41Å; L231-L309 VanDerWaalsContact CD1-CD1 3.41Å; L231-L309 HydrophobicContact CG-CD1 4.08Å; L235-L309 HydrophobicContact CD1-CB 4.4Å; L235-L309 HydrophobicContact CD1-CD2 3.98Å; D305-L309 WeakPolarHBondContact O-CB 3.23Å; D305-L309 PolarHBondContact O-N 3.48Å; M306-L309 HydrophobicContact CE-CD2 4.23Å; M306-L309 PolarHBondContact O-N 3.28Å; M306-L309 HydrophobicContact SD-CD2 4.3Å; W307-L309 VanDerWaalsContact C-N 3.32Å; W307-L309 PolarHBondContact O-N 3.46Å; L309-C311 VanDerWaalsContact C-N 3.27Å; L309-C311 PolarHBondContact O-N 2.94Å; L309-I312 PolarHBondContact O-N 3.36Å; L309-L313 HydrophobicContact CD1-CD1 3.86Å; L309-L313 HydrophobicContact CD1-CD2 4.11Å; L309-L313 HydrophobicContact CD1-CG 3.74Å; L309-L313 HydrophobicContact CG-CD1 3.92Å; L309-L313 HydrophobicContact CG-CG 4.23Å; L309-L313 WeakPolarHBondContact O-CG 3.09Å; L309-L313 PolarHBondContact O-N 3.21Å; L309-M420 HydrophobicContact CD2-CE 3.77Å; L309-M420 HydrophobicContact CG-CE 4.07Å; L309-M420 HydrophobicContact CG-SD 4.3Å
310	G	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.5	-38.8	175.4	0	0	0	0	0	113.1	M306 W307 S308	M306-G310 PolarHBondContact O-N 3.21Å; W307-G310 PolarHBondContact O-N 3Å; S308-G310 PolarHBondContact O-N 3.46Å
311	C	98.9	Very high	98.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-68.1	-48.4	174.3	-61.6	0	0	0	0	111.9	Y289 W307 S308 L309 L313 V314 E315	Y289-C311 HydrophobicContact CD1-CB 3.88Å; W307-C311 PolarHBondContact O-N 3.18Å; W307-C311 VanDerWaalsContact O-N 3.08Å; W307-C311 PolarHBondContact O-SG 3.06Å; S308-C311 WeakPolarHBondContact O-CB 3.24Å; S308-C311 PolarHBondContact O-N 3.45Å; L309-C311 VanDerWaalsContact C-N 3.27Å; L309-C311 PolarHBondContact O-N 2.94Å; C311-L313 PolarHBondContact O-N 2.86Å; C311-V314 PolarHBondContact O-N 2.99Å; C311-E315 PolarHBondContact O-N 3.31Å
312	I	98.9	Very high	98.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59	-46.2	-179.4	-69.2	162.2	0	0	0	111.3	L250 P252 I255 Y289 S308 L309 V314 E315 M316	L250-I312 HydrophobicContact CB-CD1 4.09Å; P252-I312 HydrophobicContact CG-CG1 4.35Å; P252-I312 HydrophobicContact CG-CG2 4.37Å; I255-I312 HydrophobicContact CD1-CD1 4.1Å; I255-I312 HydrophobicContact CD1-CG2 4.28Å; Y289-I312 HydrophobicContact CD1-CG1 3.79Å; Y289-I312 HydrophobicContact CE1-CG1 4.01Å; S308-I312 WeakPolarHBondContact O-CD1 3.46Å; S308-I312 VanDerWaalsContact O-CG1 3.24Å; S308-I312 WeakPolarHBondContact O-CG1 3.21Å; S308-I312 PolarHBondContact O-N 3.16Å; L309-I312 PolarHBondContact O-N 3.36Å; I312-V314 VanDerWaalsContact C-N 3.32Å; I312-V314 PolarHBondContact O-N 3.08Å; I312-E315 PolarHBondContact O-N 2.94Å; I312-M316 HydrophobicContact CG2-CG 4.09Å; I312-M316 WeakPolarHBondContact O-CG 3.21Å; I312-M316 PolarHBondContact O-N 3.31Å
313	L	98.9	Very high	98.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.2	-33.6	-175.1	-69.1	177.3	0	0	0	113.1	T224 A228 L309 C311 H317 F413 I417 M420	T224-L313 HydrophobicContact CG2-CB 4.26Å; T224-L313 HydrophobicContact CG2-CD2 4.04Å; T224-L313 WeakPolarHBondContact CG2-O 3.48Å; A228-L313 HydrophobicContact CB-CD1 3.47Å; A228-L313 VanDerWaalsContact CB-CD1 3.47Å; A228-L313 HydrophobicContact CB-CD2 3.66Å; A228-L313 HydrophobicContact CB-CG 4.21Å; L309-L313 HydrophobicContact CD1-CD1 3.86Å; L309-L313 HydrophobicContact CD1-CD2 4.11Å; L309-L313 HydrophobicContact CD1-CG 3.74Å; L309-L313 HydrophobicContact CG-CD1 3.92Å; L309-L313 HydrophobicContact CG-CG 4.23Å; L309-L313 WeakPolarHBondContact O-CG 3.09Å; L309-L313 PolarHBondContact O-N 3.21Å; C311-L313 PolarHBondContact O-N 2.86Å; L313-H317 PolarHBondContact O-N 3.46Å; L313-F413 HydrophobicContact CB-CE2 4.19Å; L313-F413 HydrophobicContact CB-CZ 4.16Å; L313-I417 HydrophobicContact CB-CD1 3.76Å; L313-I417 HydrophobicContact CD1-CD1 4.23Å; L313-M420 HydrophobicContact CD1-CE 4.02Å; L313-M420 HydrophobicContact CD1-SD 3.99Å
314	V	98.9	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.9	-49.5	171.9	177.4	0	0	0	0	110	C311 I312 M316 H317 T318 L322 L384 I387 L388 I417	C311-V314 PolarHBondContact O-N 2.99Å; I312-V314 VanDerWaalsContact C-N 3.32Å; I312-V314 PolarHBondContact O-N 3.08Å; V314-M316 VanDerWaalsContact C-N 3.32Å; V314-M316 PolarHBondContact O-N 3.34Å; V314-H317 PolarHBondContact O-N 3.49Å; V314-T318 HydrophobicContact CG1-CG2 3.81Å; V314-T318 WeakPolarHBondContact O-CG2 3.42Å; V314-T318 PolarHBondContact O-N 2.95Å; V314-T318 PolarHBondContact O-OG1 3.48Å; V314-L322 HydrophobicContact CB-CB 4.39Å; V314-L322 HydrophobicContact CB-CD2 4.28Å; V314-L322 HydrophobicContact CG1-CB 4.25Å; V314-L322 HydrophobicContact CG1-CD1 4.23Å; V314-L322 HydrophobicContact CG1-CD2 4.44Å; V314-L322 HydrophobicContact CG2-CD2 4.18Å; V314-L384 HydrophobicContact CG2-CD1 4.21Å; V314-I387 HydrophobicContact CG1-CG2 4.39Å; V314-L388 HydrophobicContact CG1-CD2 4.17Å; V314-L388 HydrophobicContact CG2-CD2 4.46Å; V314-I417 HydrophobicContact CG2-CB 4.43Å; V314-I417 HydrophobicContact CG2-CD1 4.13Å; V314-I417 HydrophobicContact CG2-CG1 4.01Å; V314-I417 HydrophobicContact CG2-CG2 3.62Å
315	E	98.8	Very high	98.6	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.019	6%	0.059	C	C	.	.	H	α-helix	trans	-57.9	-41.4	178.6	177.7	169.2	169.5	0	0	112.7	L211 Y289 C311 I312 H317 G319 P321	L211-E315 HydrophobicContact CD1-CG 3.76Å; Y289-E315 WeakPolarHBondContact CE1-OE2 3.49Å; Y289-E315 PolarHBondContact OH-OE2 3.36Å; C311-E315 PolarHBondContact O-N 3.31Å; I312-E315 PolarHBondContact O-N 2.94Å; E315-H317 PolarHBondContact O-N 3.2Å; E315-G319 VanDerWaalsContact O-CA 3.29Å; E315-G319 WeakPolarHBondContact O-CA 3.34Å; E315-G319 PolarHBondContact O-N 3Å; E315-P321 VanDerWaalsContact OE2-CA 3.23Å; E315-P321 WeakPolarHBondContact OE2-CA 3.48Å; E315-P321 VanDerWaalsContact OE2-CB 3.31Å; E315-P321 WeakPolarHBondContact OE2-CB 3.46Å
316	M	98.8	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.7	-35.4	175	-72.1	-47.8	-59.6	0	0	112.5	L207 L210 L211 G218 V219 F227 I312 V314	L207-M316 HydrophobicContact CB-CE 3.94Å; L207-M316 HydrophobicContact CB-SD 3.73Å; L207-M316 HydrophobicContact CD1-CE 4.36Å; L207-M316 HydrophobicContact CD1-SD 4.16Å; L207-M316 HydrophobicContact CD2-CE 4.25Å; L207-M316 HydrophobicContact CG-CE 4.41Å; L207-M316 HydrophobicContact CG-SD 4.48Å; L210-M316 HydrophobicContact CD2-CE 4.06Å; L210-M316 HydrophobicContact CG-CE 4.49Å; L211-M316 HydrophobicContact CD1-SD 3.8Å; L211-M316 HydrophobicContact CD2-CE 4.2Å; L211-M316 HydrophobicContact CD2-SD 4.42Å; L211-M316 HydrophobicContact CG-CE 3.97Å; L211-M316 HydrophobicContact CG-SD 3.89Å; G218-M316 CarbonylContact C-O 3.55Å; G218-M316 VanDerWaalsContact CA-O 3.32Å; G218-M316 WeakPolarHBondContact CA-O 3.45Å; V219-M316 HydrophobicContact CG1-CE 4.32Å; V219-M316 HydrophobicContact CG2-CB 4.42Å; V219-M316 HydrophobicContact CG2-CE 4.42Å; V219-M316 WeakPolarHBondContact CG2-O 3.33Å; V219-M316 PolarHBondContact N-O 3.44Å; F227-M316 HydrophobicContact CD2-CE 4.36Å; F227-M316 HydrophobicContact CE2-CE 4.07Å; I312-M316 HydrophobicContact CG2-CG 4.09Å; I312-M316 WeakPolarHBondContact O-CG 3.21Å; I312-M316 PolarHBondContact O-N 3.31Å; V314-M316 VanDerWaalsContact C-N 3.32Å; V314-M316 PolarHBondContact O-N 3.34Å
317	H	98.8	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-92	-35	-177.3	-167.6	49.5	0	0	0	114	V219 L221 T224 L313 V314 E315 H405 Y410 F413	V219-H317 PolarHBondContact O-ND1 3.19Å; L221-H317 PolarHBondContact N-CE1 2.87Å; T224-H317 HydrophobicContact CG2-CB 4.4Å; L313-H317 PolarHBondContact O-N 3.46Å; V314-H317 PolarHBondContact O-N 3.49Å; E315-H317 PolarHBondContact O-N 3.2Å; H317-H405 AromaticContact CE1-CD2 3.8Å; H317-H405 AromaticContact CE1-NE2 3.76Å; H317-Y410 AromaticContact CD2-CE1 3.87Å; H317-Y410 AromaticContact NE2-CE1 3.3Å; H317-Y410 VanDerWaalsContact NE2-CE1 3.3Å; H317-Y410 WeakPolarHBondContact NE2-CE1 3.38Å; H317-Y410 AromaticContact NE2-CZ 3.61Å; H317-Y410 PolarHBondContact NE2-OH 2.91Å; H317-Y410 VanDerWaalsContact NE2-OH 3.12Å; H317-F413 HydrophobicContact CB-CE1 4.41Å
318	T	98.7	Very high	98.2	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-80.1	-31.3	177.2	58.3	0	0	0	0	112.6	V314 E320 I387 P395 R398	V314-T318 HydrophobicContact CG1-CG2 3.81Å; V314-T318 WeakPolarHBondContact O-CG2 3.42Å; V314-T318 PolarHBondContact O-N 2.95Å; V314-T318 PolarHBondContact O-OG1 3.48Å; T318-E320 PolarHBondContact OG1-N 2.9Å; T318-E320 VanDerWaalsContact OG1-N 3.17Å; T318-E320 PolarHBondContact OG1-O 3.17Å; T318-I387 HydrophobicContact CG2-CG2 4.12Å; T318-P395 HydrophobicContact CG2-CB 4.28Å; T318-P395 HydrophobicContact CG2-CG 4.12Å; T318-R398 PolarHBondContact O-NH2 3.28Å
319	G	98.4	Very high	98.1	Very high	4 Å²	4	20.3 Å²	20.3	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	87.3	1.6	-168.7	0	0	0	0	0	114.8	F216 E315	F216-G319 WeakPolarHBondContact CB-O 3.47Å; F216-G319 WeakPolarHBondContact O-CA 3.48Å; E315-G319 VanDerWaalsContact O-CA 3.29Å; E315-G319 WeakPolarHBondContact O-CA 3.34Å; E315-G319 PolarHBondContact O-N 3Å
320	E	97.7	Very high	98	Very high	112 Å²	112	20.5 Å²	20.5	52%	0.523	12%	0.123	S	C	.	.	S	Bend	trans	-139.9	139.6	-173.8	56.8	176	125.3	0	0	113	T318 L322	T318-E320 PolarHBondContact OG1-N 2.9Å; T318-E320 VanDerWaalsContact OG1-N 3.17Å; T318-E320 PolarHBondContact OG1-O 3.17Å; E320-L322 PolarHBondContact O-N 3.22Å
321	P	98.6	Very high	98	Very high	32 Å²	32	20.5 Å²	20.5	21%	0.208	12%	0.123	C	C	.	.			trans	-60.2	124	-178.6	-20.4	26.4	0	0	0	113.6	F288 E315 F323	F288-P321 HydrophobicContact CD2-CB 3.81Å; F288-P321 HydrophobicContact CD2-CG 3.93Å; F288-P321 HydrophobicContact CE2-CB 4.32Å; F288-P321 HydrophobicContact CE2-CG 4.08Å; F288-P321 HydrophobicContact CG-CB 4.35Å; E315-P321 VanDerWaalsContact OE2-CA 3.23Å; E315-P321 WeakPolarHBondContact OE2-CA 3.48Å; E315-P321 VanDerWaalsContact OE2-CB 3.31Å; E315-P321 WeakPolarHBondContact OE2-CB 3.46Å; P321-F323 VanDerWaalsContact C-N 3.28Å; P321-F323 PolarHBondContact O-N 2.75Å
322	L	98.7	Very high	97.9	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.016	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-43.5	-178.4	176.5	58.2	0	0	0	112.2	V314 E320 R382 L384 I387 L421	V314-L322 HydrophobicContact CB-CB 4.39Å; V314-L322 HydrophobicContact CB-CD2 4.28Å; V314-L322 HydrophobicContact CG1-CB 4.25Å; V314-L322 HydrophobicContact CG1-CD1 4.23Å; V314-L322 HydrophobicContact CG1-CD2 4.44Å; V314-L322 HydrophobicContact CG2-CD2 4.18Å; E320-L322 PolarHBondContact O-N 3.22Å; L322-R382 PolarHBondContact O-NH1 3.09Å; L322-L384 HydrophobicContact CD1-CD1 4.37Å; L322-I387 HydrophobicContact CD1-CD1 3.69Å; L322-I387 HydrophobicContact CD1-CG2 4.48Å; L322-L421 HydrophobicContact CD2-CD1 3.61Å
323	F	98.6	Very high	97.9	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	74.2	-177.9	-54	-55.4	0	0	0	111.5	F288 W307 P321 G325 Q331 K334 I335 V338 L339 L421	F288-F323 WeakPolarHBondContact CA-O 3.49Å; F288-F323 WeakPolarHBondContact CD1-O 3.22Å; W307-F323 HydrophobicContact CH2-CE2 4.39Å; W307-F323 HydrophobicContact CZ2-CD2 4.3Å; W307-F323 AromaticContact CZ2-CE2 3.77Å; W307-F323 HydrophobicContact CZ2-CE2 3.77Å; W307-F323 HydrophobicContact CZ2-CZ 4.49Å; P321-F323 VanDerWaalsContact C-N 3.28Å; P321-F323 PolarHBondContact O-N 2.75Å; F323-G325 PolarHBondContact O-N 3.11Å; F323-Q331 PolarHBondContact O-NE2 3.36Å; F323-Q331 PolarHBondContact O-OE1 3.43Å; F323-K334 HydrophobicContact CD1-CB 4.47Å; F323-K334 WeakPolarHBondContact CD1-O 3.32Å; F323-I335 HydrophobicContact CB-CG1 4.3Å; F323-I335 HydrophobicContact CD1-CB 4.41Å; F323-I335 HydrophobicContact CD1-CG1 3.86Å; F323-I335 HydrophobicContact CD2-CG1 3.94Å; F323-I335 HydrophobicContact CE1-CB 4.3Å; F323-I335 HydrophobicContact CE1-CG1 4.09Å; F323-I335 HydrophobicContact CE2-CG1 4.16Å; F323-I335 HydrophobicContact CG-CG1 3.78Å; F323-I335 HydrophobicContact CZ-CG1 4.23Å; F323-I335 HydrophobicContact CZ-CG2 4.43Å; F323-V338 HydrophobicContact CE1-CB 3.97Å; F323-V338 HydrophobicContact CE1-CG2 3.8Å; F323-L339 HydrophobicContact CZ-CD1 4.45Å; F323-L421 HydrophobicContact CE2-CD1 4.17Å; F323-L421 HydrophobicContact CE2-CD2 4.33Å; F323-L421 HydrophobicContact CZ-CD1 4.24Å
324	S	97.6	Very high	97.8	Very high	50 Å²	50	22.7 Å²	22.7	35%	0.35	13%	0.133	S	C	.	.			trans	-79.2	60.6	-176.8	50.6	0	0	0	0	114.9	K334	S324-K334 VanDerWaalsContact C-CD 3.49Å; S324-K334 WeakPolarHBondContact O-CD 3.35Å; S324-K334 WeakPolarHBondContact O-CE 3.32Å; S324-K334 PolarHBondContact O-NZ 3.22Å; S324-K334 PolarHBondContact OG-NZ 3.33Å
325	G	97.3	Very high	97.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	13%	0.133	C	C	.	.			trans	-79.9	130.2	-176.2	0	0	0	0	0	115.5	R287 F288 F323 N327 Q331	R287-G325 WeakPolarHBondContact CD-O 3.37Å; F288-G325 WeakPolarHBondContact CE1-O 3.42Å; F323-G325 PolarHBondContact O-N 3.11Å; G325-N327 VanDerWaalsContact C-N 3.34Å; G325-N327 PolarHBondContact O-N 3.42Å; G325-Q331 VanDerWaalsContact CA-OE1 3.23Å
326	A	96.1	Very high	97.8	Very high	70 Å²	70	22.7 Å²	22.7	58%	0.579	13%	0.133	S	C	*	.	S	Bend	trans	-69.3	-28.5	176.5	0	0	0	0	0	113.6	R287 D330	R287-A326 PolarHBondContact NH1-O 3.18Å; A326-D330 WeakPolarHBondContact CB-OD2 3.44Å; A326-D330 PolarHBondContact N-OD2 3.32Å
327	N	95.8	Very high	97.8	Very high	74 Å²	74	23.9 Å²	23.9	40%	0.396	14%	0.139	S	C	.	.	S	Bend	trans	-148.5	178.5	175.5	65.3	54.2	0	0	0	109.6	G325 V329 D330 Q331	G325-N327 VanDerWaalsContact C-N 3.34Å; G325-N327 PolarHBondContact O-N 3.42Å; N327-V329 VanDerWaalsContact C-N 3.29Å; N327-V329 PolarHBondContact O-N 2.9Å; N327-V329 WeakPolarHBondContact OD1-CA 3.4Å; N327-V329 WeakPolarHBondContact OD1-CB 3.38Å; N327-V329 PolarHBondContact OD1-N 2.83Å; N327-D330 PolarHBondContact O-N 3.22Å; N327-D330 PolarHBondContact OD1-N 2.93Å; N327-Q331 WeakPolarHBondContact O-CB 3.24Å; N327-Q331 PolarHBondContact O-N 3.41Å
328	E	96.7	Very high	97.8	Very high	28 Å²	28	24.3 Å²	24.3	13%	0.131	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-31.8	-177.2	-61.4	-170.1	136.8	0	0	114.2	Y283 R290 L295 M332 K355 F356	Y283-E328 WeakPolarHBondContact CE2-OE1 3.41Å; R290-E328 IonicContact NH1-OE1 3.76Å; R290-E328 PolarHBondContact NH1-OE1 3.37Å; L295-E328 HydrophobicContact CD2-CB 3.88Å; L295-E328 HydrophobicContact CD2-CG 4.03Å; E328-M332 PolarHBondContact O-N 3.47Å; E328-K355 IonicContact OE2-NZ 3.74Å; E328-K355 PolarHBondContact OE2-NZ 3.45Å; E328-F356 HydrophobicContact CB-CE1 4.07Å; E328-F356 HydrophobicContact CB-CZ 4.37Å; E328-F356 WeakPolarHBondContact O-CE1 3.41Å
329	V	96	Very high	97.8	Very high	42 Å²	42	26.1 Å²	26.1	26%	0.255	15%	0.151	S	C	.	.	H	α-helix	trans	-73.9	-43	178.8	-178.7	0	0	0	0	110.2	N327 Q331 M332 N333 F356	N327-V329 VanDerWaalsContact C-N 3.29Å; N327-V329 PolarHBondContact O-N 2.9Å; N327-V329 WeakPolarHBondContact OD1-CA 3.4Å; N327-V329 WeakPolarHBondContact OD1-CB 3.38Å; N327-V329 PolarHBondContact OD1-N 2.83Å; V329-Q331 VanDerWaalsContact C-N 3.31Å; V329-Q331 PolarHBondContact O-N 3.28Å; V329-M332 PolarHBondContact O-N 3.19Å; V329-N333 WeakPolarHBondContact O-CB 3.4Å; V329-N333 PolarHBondContact O-N 2.84Å; V329-N333 PolarHBondContact O-ND2 3.39Å; V329-F356 HydrophobicContact CB-CD1 4.35Å; V329-F356 HydrophobicContact CG2-CD1 3.99Å; V329-F356 HydrophobicContact CG2-CE1 4.06Å
330	D	96.9	Very high	97.8	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-38	172.2	-168.7	24.4	0	0	0	111.8	A326 N327 N333 K334 K374 Y376	A326-D330 WeakPolarHBondContact CB-OD2 3.44Å; A326-D330 PolarHBondContact N-OD2 3.32Å; N327-D330 PolarHBondContact O-N 3.22Å; N327-D330 PolarHBondContact OD1-N 2.93Å; D330-N333 PolarHBondContact O-N 3.06Å; D330-K334 WeakPolarHBondContact O-CB 3.44Å; D330-K334 WeakPolarHBondContact O-CD 3.48Å; D330-K334 WeakPolarHBondContact O-CG 3.45Å; D330-K334 PolarHBondContact O-N 3.28Å; D330-K334 WeakPolarHBondContact OD1-CE 3.29Å; D330-K374 IonicContact OD1-NZ 2.85Å; D330-K374 PolarHBondContact OD1-NZ 3.19Å; D330-K374 IonicContact OD2-NZ 3.22Å; D330-K374 PolarHBondContact OD2-NZ 3.2Å; D330-Y376 WeakPolarHBondContact OD1-CE1 3.47Å; D330-Y376 PolarHBondContact OD1-OH 3.31Å
331	Q	98.3	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-54.4	174.8	-168.9	65.6	21.7	0	0	111.3	R287 F288 L295 F323 G325 N327 V329 N333 K334 I335	R287-Q331 HydrophobicContact CG-CB 4.27Å; R287-Q331 HydrophobicContact CG-CG 4.18Å; R287-Q331 PolarHBondContact O-NE2 3.24Å; R287-Q331 VanDerWaalsContact O-NE2 3.08Å; F288-Q331 PolarHBondContact O-NE2 3.02Å; L295-Q331 HydrophobicContact CD1-CB 4.43Å; L295-Q331 HydrophobicContact CD1-CG 3.89Å; L295-Q331 HydrophobicContact CD2-CB 4.45Å; L295-Q331 HydrophobicContact CD2-CG 4.4Å; F323-Q331 PolarHBondContact O-NE2 3.36Å; F323-Q331 PolarHBondContact O-OE1 3.43Å; G325-Q331 VanDerWaalsContact CA-OE1 3.23Å; N327-Q331 WeakPolarHBondContact O-CB 3.24Å; N327-Q331 PolarHBondContact O-N 3.41Å; V329-Q331 VanDerWaalsContact C-N 3.31Å; V329-Q331 PolarHBondContact O-N 3.28Å; Q331-N333 VanDerWaalsContact C-N 3.33Å; Q331-N333 PolarHBondContact O-N 2.84Å; Q331-K334 PolarHBondContact O-N 3.03Å; Q331-I335 HydrophobicContact CG-CD1 4.24Å; Q331-I335 WeakPolarHBondContact O-CG1 3.34Å; Q331-I335 PolarHBondContact O-N 2.85Å
332	M	98.3	Very high	97.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-41.4	178.8	-177.6	58.9	70.2	0	0	111.8	L295 L296 E328 V329 K334 I335 V336 F356 F357	L295-M332 HydrophobicContact CB-CE 3.78Å; L295-M332 HydrophobicContact CD1-CE 4.03Å; L296-M332 HydrophobicContact CD2-CE 4.08Å; L296-M332 HydrophobicContact CG-CE 3.95Å; E328-M332 PolarHBondContact O-N 3.47Å; V329-M332 PolarHBondContact O-N 3.19Å; M332-K334 PolarHBondContact O-N 2.82Å; M332-I335 PolarHBondContact O-N 3.49Å; M332-V336 WeakPolarHBondContact O-CG2 3.4Å; M332-V336 PolarHBondContact O-N 3.32Å; M332-V336 HydrophobicContact SD-CG2 4.39Å; M332-F356 HydrophobicContact CB-CB 4.37Å; M332-F356 HydrophobicContact CB-CD1 3.77Å; M332-F356 HydrophobicContact CB-CE1 4.18Å; M332-F356 HydrophobicContact CB-CG 4.08Å; M332-F356 HydrophobicContact CE-CD2 4.49Å; M332-F356 HydrophobicContact CG-CB 3.83Å; M332-F356 HydrophobicContact CG-CD1 4.12Å; M332-F356 HydrophobicContact CG-CD2 4.42Å; M332-F356 HydrophobicContact CG-CG 3.89Å; M332-F357 HydrophobicContact CE-CE2 4.46Å; M332-F357 HydrophobicContact CG-CE2 3.7Å; M332-F357 HydrophobicContact CG-CZ 3.78Å; M332-F357 HydrophobicContact SD-CE2 3.79Å; M332-F357 HydrophobicContact SD-CZ 3.78Å
333	N	97.5	Very high	97.6	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.053	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-45.1	176.1	-84.2	-93.5	0	0	0	112.2	V329 D330 Q331 I335 V336 E337 V367 Y376	V329-N333 WeakPolarHBondContact O-CB 3.4Å; V329-N333 PolarHBondContact O-N 2.84Å; V329-N333 PolarHBondContact O-ND2 3.39Å; D330-N333 PolarHBondContact O-N 3.06Å; Q331-N333 VanDerWaalsContact C-N 3.33Å; Q331-N333 PolarHBondContact O-N 2.84Å; N333-I335 VanDerWaalsContact C-N 3.3Å; N333-I335 PolarHBondContact O-N 3.26Å; N333-V336 PolarHBondContact O-N 3.33Å; N333-V336 VanDerWaalsContact O-N 3.16Å; N333-E337 WeakPolarHBondContact O-CG 3.41Å; N333-E337 PolarHBondContact O-N 2.8Å; N333-V367 WeakPolarHBondContact OD1-CG1 3.13Å; N333-Y376 HydrophobicContact CB-CD1 3.71Å; N333-Y376 HydrophobicContact CB-CD2 3.82Å; N333-Y376 HydrophobicContact CB-CE1 3.56Å; N333-Y376 HydrophobicContact CB-CE2 3.68Å; N333-Y376 HydrophobicContact CB-CG 3.83Å; N333-Y376 WeakPolarHBondContact OD1-CD2 3.37Å; N333-Y376 VanDerWaalsContact OD1-CE2 3.31Å; N333-Y376 WeakPolarHBondContact OD1-CE2 3.4Å
334	K	98.2	Very high	97.4	Very high	38 Å²	38	27.9 Å²	27.9	17%	0.165	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-30.6	177.4	-76.7	161.3	174	-93.8	0	113.6	F323 S324 D330 Q331 M332	F323-K334 HydrophobicContact CD1-CB 4.47Å; F323-K334 WeakPolarHBondContact CD1-O 3.32Å; S324-K334 VanDerWaalsContact C-CD 3.49Å; S324-K334 WeakPolarHBondContact O-CD 3.35Å; S324-K334 WeakPolarHBondContact O-CE 3.32Å; S324-K334 PolarHBondContact O-NZ 3.22Å; S324-K334 PolarHBondContact OG-NZ 3.33Å; D330-K334 WeakPolarHBondContact O-CB 3.44Å; D330-K334 WeakPolarHBondContact O-CD 3.48Å; D330-K334 WeakPolarHBondContact O-CG 3.45Å; D330-K334 PolarHBondContact O-N 3.28Å; D330-K334 WeakPolarHBondContact OD1-CE 3.29Å; Q331-K334 PolarHBondContact O-N 3.03Å; M332-K334 PolarHBondContact O-N 2.82Å
335	I	98.8	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.7	-48.6	171.5	-63.8	165	0	0	0	109.6	L295 W307 F323 Q331 M332 N333 E337 V338 L339 Y423	L295-I335 HydrophobicContact CD1-CD1 3.78Å; W307-I335 HydrophobicContact CH2-CG2 3.71Å; W307-I335 HydrophobicContact CZ2-CD1 3.89Å; W307-I335 HydrophobicContact CZ2-CG1 4.11Å; W307-I335 HydrophobicContact CZ2-CG2 4.02Å; F323-I335 HydrophobicContact CB-CG1 4.3Å; F323-I335 HydrophobicContact CD1-CB 4.41Å; F323-I335 HydrophobicContact CD1-CG1 3.86Å; F323-I335 HydrophobicContact CD2-CG1 3.94Å; F323-I335 HydrophobicContact CE1-CB 4.3Å; F323-I335 HydrophobicContact CE1-CG1 4.09Å; F323-I335 HydrophobicContact CE2-CG1 4.16Å; F323-I335 HydrophobicContact CG-CG1 3.78Å; F323-I335 HydrophobicContact CZ-CG1 4.23Å; F323-I335 HydrophobicContact CZ-CG2 4.43Å; Q331-I335 HydrophobicContact CG-CD1 4.24Å; Q331-I335 WeakPolarHBondContact O-CG1 3.34Å; Q331-I335 PolarHBondContact O-N 2.85Å; M332-I335 PolarHBondContact O-N 3.49Å; N333-I335 VanDerWaalsContact C-N 3.3Å; N333-I335 PolarHBondContact O-N 3.26Å; I335-E337 VanDerWaalsContact C-N 3.34Å; I335-E337 PolarHBondContact O-N 3.28Å; I335-V338 PolarHBondContact O-N 2.71Å; I335-L339 HydrophobicContact CG2-CD1 3.82Å; I335-L339 HydrophobicContact CG2-CG 4.44Å; I335-L339 PolarHBondContact O-N 3.4Å; I335-Y423 HydrophobicContact CG2-CE1 3.89Å
336	V	98.5	Very high	97.2	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-36	178.7	171.1	0	0	0	0	113	M332 N333 V338 G340 I341 F357 V367 P379 A380	M332-V336 WeakPolarHBondContact O-CG2 3.4Å; M332-V336 PolarHBondContact O-N 3.32Å; M332-V336 HydrophobicContact SD-CG2 4.39Å; N333-V336 PolarHBondContact O-N 3.33Å; N333-V336 VanDerWaalsContact O-N 3.16Å; V336-V338 PolarHBondContact O-N 2.76Å; V336-G340 WeakPolarHBondContact CA-O 3.43Å; V336-G340 WeakPolarHBondContact O-CA 3.44Å; V336-G340 PolarHBondContact O-N 2.77Å; V336-I341 HydrophobicContact CG1-CD1 3.93Å; V336-F357 HydrophobicContact CG2-CE1 3.86Å; V336-F357 HydrophobicContact CG2-CZ 3.7Å; V336-V367 HydrophobicContact CG1-CG2 3.74Å; V336-P379 HydrophobicContact CG1-CB 3.77Å; V336-P379 HydrophobicContact CG1-CG 3.88Å; V336-P379 WeakPolarHBondContact O-CA 3.42Å; V336-A380 PolarHBondContact O-N 3Å
337	E	98.3	Very high	97.2	Very high	24 Å²	24	27.3 Å²	27.3	11%	0.112	15%	0.145	C	C	.	.	H	α-helix	trans	-54.5	-34.7	173.7	-74.3	-169	158	0	0	112.6	N333 I335 K377 A380 S381 R382	N333-E337 WeakPolarHBondContact O-CG 3.41Å; N333-E337 PolarHBondContact O-N 2.8Å; I335-E337 VanDerWaalsContact C-N 3.34Å; I335-E337 PolarHBondContact O-N 3.28Å; E337-K377 HydrophobicContact CG-CB 4.05Å; E337-K377 PolarHBondContact OE1-N 2.75Å; E337-A380 CarbonylContact O-C 3.34Å; E337-A380 WeakPolarHBondContact O-CA 3.42Å; E337-A380 PolarHBondContact O-N 3.48Å; E337-S381 PolarHBondContact O-N 2.99Å; E337-R382 HydrophobicContact CB-CB 4.09Å; E337-R382 WeakPolarHBondContact O-CB 3.3Å; E337-R382 PolarHBondContact O-N 2.81Å
338	V	98.7	Very high	97.1	Very high	10 Å²	10	27.9 Å²	27.9	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-95.2	-46.3	-175.1	-177.8	0	0	0	0	111.9	F323 I335 V336 R382 L384 I387	F323-V338 HydrophobicContact CE1-CB 3.97Å; F323-V338 HydrophobicContact CE1-CG2 3.8Å; I335-V338 PolarHBondContact O-N 2.71Å; V336-V338 PolarHBondContact O-N 2.76Å; V338-R382 HydrophobicContact CG2-CB 4.14Å; V338-R382 HydrophobicContact CG2-CG 4.22Å; V338-L384 HydrophobicContact CG1-CB 4.23Å; V338-I387 HydrophobicContact CG1-CD1 4.35Å; V338-I387 HydrophobicContact CG2-CD1 4.03Å
339	L	98.6	Very high	97	Very high	40 Å²	40	32.7 Å²	32.7	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-101.4	-17.3	-169.3	-57.2	-179.5	0	0	0	114.4	W307 F323 I335 L418 L421 Y423	W307-L339 HydrophobicContact CH2-CD1 3.59Å; W307-L339 HydrophobicContact CZ3-CD1 4.01Å; F323-L339 HydrophobicContact CZ-CD1 4.45Å; I335-L339 HydrophobicContact CG2-CD1 3.82Å; I335-L339 HydrophobicContact CG2-CG 4.44Å; I335-L339 PolarHBondContact O-N 3.4Å; L339-L418 HydrophobicContact CD2-CD2 4.26Å; L339-L421 HydrophobicContact CD1-CB 4.22Å; L339-L421 WeakPolarHBondContact CD1-O 3.49Å; L339-Y423 HydrophobicContact CB-CE2 3.68Å; L339-Y423 HydrophobicContact CD1-CE2 4.42Å
340	G	98.1	Very high	97	Very high	8 Å²	8	31.1 Å²	31.1	8%	0.082	17%	0.165	C	C	.	.			trans	92.5	-171.8	-172.7	0	0	0	0	0	113.1	V336 Y423	V336-G340 WeakPolarHBondContact CA-O 3.43Å; V336-G340 WeakPolarHBondContact O-CA 3.44Å; V336-G340 PolarHBondContact O-N 2.77Å; G340-Y423 PolarHBondContact O-OH 2.86Å
341	I	97.4	Very high	97.1	Very high	54 Å²	54	35.8 Å²	35.8	28%	0.277	20%	0.196	S	C	.	.	S	Bend	trans	-69.7	140.2	176.6	-50.9	-62.3	0	0	0	109.3	V336 F357 W365 V367 P379	V336-I341 HydrophobicContact CG1-CD1 3.93Å; I341-F357 HydrophobicContact CD1-CE1 4.12Å; I341-F357 HydrophobicContact CG2-CD1 4.43Å; I341-F357 HydrophobicContact CG2-CE1 4.2Å; I341-W365 HydrophobicContact CG2-CB 4.15Å; I341-V367 HydrophobicContact CD1-CG2 3.64Å; I341-P379 HydrophobicContact CD1-CB 4.13Å; I341-P379 HydrophobicContact CD1-CG 3.81Å; I341-P379 HydrophobicContact CG1-CB 4.34Å; I341-P379 HydrophobicContact CG1-CG 4.4Å
342	P	97.8	Very high	97	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.013	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-61.9	145.1	172.6	-16	27.9	0	0	0	111.5	M347 F357 Y423	P342-M347 HydrophobicContact CB-CG 4.01Å; P342-M347 HydrophobicContact CB-SD 3.96Å; P342-M347 HydrophobicContact CG-SD 3.92Å; P342-M347 WeakPolarHBondContact O-CG 3.48Å; P342-F357 VanDerWaalsContact CD-CZ 3.42Å; P342-F357 HydrophobicContact CG-CE2 4.15Å; P342-F357 HydrophobicContact CG-CZ 3.78Å; P342-Y423 HydrophobicContact CB-CD1 3.91Å; P342-Y423 HydrophobicContact CB-CD2 4.38Å; P342-Y423 HydrophobicContact CB-CE1 3.98Å; P342-Y423 HydrophobicContact CB-CE2 4.39Å; P342-Y423 HydrophobicContact CB-CG 4.13Å; P342-Y423 HydrophobicContact CG-CD1 4.11Å; P342-Y423 HydrophobicContact CG-CE1 3.67Å; P342-Y423 HydrophobicContact CG-CE2 4.42Å
343	P	96.6	Very high	96.9	Very high	49 Å²	49	38.4 Å²	38.4	32%	0.318	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-51.6	143.2	178.9	-30.6	35.4	0	0	0	114.9	H345 I346 M347	P343-H345 VanDerWaalsContact CB-CE1 3.46Å; P343-H345 WeakPolarHBondContact CB-CE1 3.35Å; P343-H345 WeakPolarHBondContact CB-ND1 3.49Å; P343-H345 PolarHBondContact O-N 3.38Å; P343-H345 VanDerWaalsContact O-N 3.15Å; P343-I346 HydrophobicContact CB-CD1 4.39Å; P343-I346 HydrophobicContact CB-CG1 4.36Å; P343-I346 HydrophobicContact CG-CD1 4.25Å; P343-I346 WeakPolarHBondContact O-CB 3.49Å; P343-I346 PolarHBondContact O-N 3.27Å; P343-M347 PolarHBondContact O-N 3.41Å
344	N	94.9	Very high	96.9	Very high	77 Å²	77	47.3 Å²	47.3	41%	0.412	24%	0.24	S	C	.	.	H	α-helix	trans	-54.3	-36.8	-176.4	-75.8	0.9	0	0	0	113.4	I346 M347 D348	N344-I346 VanDerWaalsContact C-N 3.3Å; N344-I346 PolarHBondContact O-N 3.19Å; N344-M347 PolarHBondContact O-N 3.35Å; N344-D348 WeakPolarHBondContact O-CB 3.42Å; N344-D348 PolarHBondContact O-N 3.04Å
345	H	93.8	Very high	96.7	Very high	102 Å²	102	50.2 Å²	50.2	47%	0.472	25%	0.253	S	S	.	.	H	α-helix	trans	-69.5	-26.4	-179.3	71.2	-78.8	0	0	0	113.5	P343 L349 D424	P343-H345 VanDerWaalsContact CB-CE1 3.46Å; P343-H345 WeakPolarHBondContact CB-CE1 3.35Å; P343-H345 WeakPolarHBondContact CB-ND1 3.49Å; P343-H345 PolarHBondContact O-N 3.38Å; P343-H345 VanDerWaalsContact O-N 3.15Å; H345-L349 WeakPolarHBondContact O-CD1 3.44Å; H345-L349 WeakPolarHBondContact O-CG 3.36Å; H345-D424 IonicContact CD2-OD2 3.89Å; H345-D424 IonicContact CE1-OD2 2.94Å; H345-D424 IonicContact NE2-OD2 2.62Å; H345-D424 PolarHBondContact NE2-OD2 2.66Å
346	I	95.8	Very high	96.6	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-77.5	-47.4	171	-54.6	-177.8	0	0	0	108.9	L296 M298 P343 N344 D348 L349 A350 Y423 D424	L296-I346 HydrophobicContact CD1-CG2 3.97Å; M298-I346 HydrophobicContact CE-CG2 3.96Å; M298-I346 HydrophobicContact SD-CG2 3.53Å; M298-I346 VanDerWaalsContact SD-CG2 3.53Å; P343-I346 HydrophobicContact CB-CD1 4.39Å; P343-I346 HydrophobicContact CB-CG1 4.36Å; P343-I346 HydrophobicContact CG-CD1 4.25Å; P343-I346 WeakPolarHBondContact O-CB 3.49Å; P343-I346 PolarHBondContact O-N 3.27Å; N344-I346 VanDerWaalsContact C-N 3.3Å; N344-I346 PolarHBondContact O-N 3.19Å; I346-D348 VanDerWaalsContact C-N 3.34Å; I346-D348 PolarHBondContact O-N 3.01Å; I346-L349 PolarHBondContact O-N 3.15Å; I346-A350 VanDerWaalsContact O-CB 3.26Å; I346-A350 WeakPolarHBondContact O-CB 3.42Å; I346-A350 PolarHBondContact O-N 2.99Å; I346-Y423 WeakPolarHBondContact CD1-O 3.48Å; I346-D424 HydrophobicContact CD1-CB 3.85Å
347	M	96.1	Very high	96.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-36.9	-177.6	-76	-58.6	-57	0	0	114	L296 P342 P343 N344 A353 F357 W365	L296-M347 HydrophobicContact CD2-SD 4.33Å; P342-M347 HydrophobicContact CB-CG 4.01Å; P342-M347 HydrophobicContact CB-SD 3.96Å; P342-M347 HydrophobicContact CG-SD 3.92Å; P342-M347 WeakPolarHBondContact O-CG 3.48Å; P343-M347 PolarHBondContact O-N 3.41Å; N344-M347 PolarHBondContact O-N 3.35Å; M347-A353 HydrophobicContact CE-CB 3.66Å; M347-A353 WeakPolarHBondContact O-CB 2.92Å; M347-F357 HydrophobicContact CE-CB 3.55Å; M347-F357 HydrophobicContact CE-CD1 4.34Å; M347-F357 HydrophobicContact CE-CD2 3.29Å; M347-F357 HydrophobicContact CE-CE2 4.04Å; M347-F357 HydrophobicContact CE-CG 3.48Å; M347-F357 VanDerWaalsContact CE-CG 3.48Å; M347-F357 HydrophobicContact SD-CD2 3.79Å; M347-F357 HydrophobicContact SD-CE2 3.9Å; M347-F357 HydrophobicContact SD-CG 4.32Å; M347-W365 HydrophobicContact CB-CD2 4.06Å; M347-W365 HydrophobicContact CB-CG 3.93Å; M347-W365 HydrophobicContact CB-CZ2 4.33Å; M347-W365 HydrophobicContact CE-CB 4.3Å; M347-W365 HydrophobicContact CE-CD2 3.56Å; M347-W365 HydrophobicContact CE-CE3 3.48Å; M347-W365 VanDerWaalsContact CE-CE3 3.48Å; M347-W365 HydrophobicContact CE-CG 3.96Å; M347-W365 HydrophobicContact CE-CH2 4.33Å; M347-W365 HydrophobicContact CE-CZ2 4.43Å; M347-W365 HydrophobicContact CE-CZ3 3.89Å; M347-W365 HydrophobicContact CG-CG 4.19Å
348	D	93.5	Very high	96.4	Very high	85 Å²	85	52.5 Å²	52.5	46%	0.455	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-20.8	179.2	-74.4	-12.5	0	0	0	113.2	N344 I346 K359 W365	N344-D348 WeakPolarHBondContact O-CB 3.42Å; N344-D348 PolarHBondContact O-N 3.04Å; I346-D348 VanDerWaalsContact C-N 3.34Å; I346-D348 PolarHBondContact O-N 3.01Å; D348-K359 WeakPolarHBondContact OD1-CE 3.36Å; D348-K359 IonicContact OD1-NZ 3.6Å; D348-K359 PolarHBondContact OD1-NZ 2.88Å; D348-K359 IonicContact OD2-NZ 3.76Å; D348-K359 PolarHBondContact OD2-NZ 2.88Å; D348-W365 WeakPolarHBondContact OD1-CZ2 3.45Å; D348-W365 PolarHBondContact OD1-NE1 2.63Å
349	L	94.8	Very high	96.2	Very high	130 Å²	130	56.5 Å²	56.5	68%	0.681	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-12.1	174.5	-65	177.3	0	0	0	113.5	M298 H345 I346 P351	M298-L349 HydrophobicContact CE-CB 4.2Å; H345-L349 WeakPolarHBondContact O-CD1 3.44Å; H345-L349 WeakPolarHBondContact O-CG 3.36Å; I346-L349 PolarHBondContact O-N 3.15Å; L349-P351 VanDerWaalsContact O-CD 3.28Å; L349-P351 WeakPolarHBondContact O-CD 3.35Å
350	A	97.1	Very high	95.9	Very high	9 Å²	9	58.3 Å²	58.3	7%	0.074	29%	0.289	C	S	.	.			trans	-81.4	111	-170.6	0	0	0	0	0	113.6	L296 M298 I346 K352 A353	L296-A350 HydrophobicContact CB-CB 3.81Å; L296-A350 HydrophobicContact CD1-CB 4.13Å; L296-A350 HydrophobicContact CD2-CB 3.99Å; L296-A350 HydrophobicContact CG-CB 4.18Å; M298-A350 HydrophobicContact CG-CB 4.06Å; M298-A350 HydrophobicContact SD-CB 3.86Å; I346-A350 VanDerWaalsContact O-CB 3.26Å; I346-A350 WeakPolarHBondContact O-CB 3.42Å; I346-A350 PolarHBondContact O-N 2.99Å; A350-K352 PolarHBondContact O-N 2.87Å; A350-K352 VanDerWaalsContact O-N 3.11Å; A350-A353 HydrophobicContact CB-CB 3.92Å; A350-A353 VanDerWaalsContact O-CB 3.25Å; A350-A353 WeakPolarHBondContact O-CB 3.34Å; A350-A353 PolarHBondContact O-N 3.37Å
351	P	97.3	Very high	95.7	Very high	101 Å²	101	64.6 Å²	64.6	66%	0.656	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.6	-175.2	-25.7	36.7	0	0	0	114.3	L296 L349	L296-P351 WeakPolarHBondContact O-CD 3.41Å; L349-P351 VanDerWaalsContact O-CD 3.28Å; L349-P351 WeakPolarHBondContact O-CD 3.35Å
352	K	96.9	Very high	95.4	Very high	54 Å²	54	67.3 Å²	67.3	24%	0.235	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	8	178.7	-51.7	171.6	-171.6	160.9	0	113.2	L295 L296 A350 R354 K355 F356	L295-K352 WeakPolarHBondContact O-CD 3.44Å; L296-K352 WeakPolarHBondContact O-CA 3.34Å; L296-K352 VanDerWaalsContact O-CB 3.23Å; L296-K352 WeakPolarHBondContact O-CB 3.35Å; L296-K352 WeakPolarHBondContact O-CG 3.47Å; L296-K352 PolarHBondContact O-N 2.89Å; A350-K352 PolarHBondContact O-N 2.87Å; A350-K352 VanDerWaalsContact O-N 3.11Å; K352-R354 VanDerWaalsContact C-N 3.31Å; K352-R354 PolarHBondContact O-N 2.87Å; K352-K355 WeakPolarHBondContact O-CB 3.18Å; K352-K355 PolarHBondContact O-N 3.16Å; K352-F356 HydrophobicContact CB-CE2 4.21Å; K352-F356 WeakPolarHBondContact O-CD2 3.12Å
353	A	97.1	Very high	95	Very high	3 Å²	3	68.5 Å²	68.5	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-47.9	-49.9	-179.6	0	0	0	0	0	113.2	M347 A350 K355 F356 F357 W365	M347-A353 HydrophobicContact CE-CB 3.66Å; M347-A353 WeakPolarHBondContact O-CB 2.92Å; A350-A353 HydrophobicContact CB-CB 3.92Å; A350-A353 VanDerWaalsContact O-CB 3.25Å; A350-A353 WeakPolarHBondContact O-CB 3.34Å; A350-A353 PolarHBondContact O-N 3.37Å; A353-K355 PolarHBondContact O-N 3.07Å; A353-F356 PolarHBondContact O-N 2.69Å; A353-F357 PolarHBondContact O-N 2.64Å; A353-W365 HydrophobicContact CB-CH2 3.76Å; A353-W365 HydrophobicContact CB-CZ2 4.41Å; A353-W365 HydrophobicContact CB-CZ3 4.03Å
354	R	95.9	Very high	94.8	Very high	196 Å²	196	68.9 Å²	68.9	74%	0.74	36%	0.362	S	S	*	.	H	α-helix	trans	-66.1	-5.5	-178.5	-63	-176	179	-167.9	0.1	115.1	K352 F357 W365 K368	K352-R354 VanDerWaalsContact C-N 3.31Å; K352-R354 PolarHBondContact O-N 2.87Å; R354-F357 WeakPolarHBondContact CA-O 3.43Å; R354-W365 HydrophobicContact CG-CH2 4.26Å; R354-W365 HydrophobicContact CG-CZ3 4.34Å; R354-K368 PolarHBondContact O-NZ 2.75Å
355	K	95.6	Very high	94.7	Very high	100 Å²	100	66.2 Å²	66.2	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-74.4	-35.5	170.2	-175.1	175.8	177.2	173.5	0	111.8	E328 K352 A353	E328-K355 IonicContact OE2-NZ 3.74Å; E328-K355 PolarHBondContact OE2-NZ 3.45Å; K352-K355 WeakPolarHBondContact O-CB 3.18Å; K352-K355 PolarHBondContact O-N 3.16Å; A353-K355 PolarHBondContact O-N 3.07Å
356	F	95.9	Very high	94.8	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-114.7	-28.1	-171.3	-44.9	-77.1	0	0	0	113.2	L295 L296 E328 V329 M332 K352 A353 K368	L295-F356 HydrophobicContact CB-CZ 4.41Å; L295-F356 VanDerWaalsContact O-CE2 3.27Å; L295-F356 WeakPolarHBondContact O-CE2 3.39Å; L295-F356 WeakPolarHBondContact O-CZ 3.5Å; L296-F356 HydrophobicContact CD2-CD2 4.12Å; L296-F356 HydrophobicContact CD2-CE2 4.37Å; E328-F356 HydrophobicContact CB-CE1 4.07Å; E328-F356 HydrophobicContact CB-CZ 4.37Å; E328-F356 WeakPolarHBondContact O-CE1 3.41Å; V329-F356 HydrophobicContact CB-CD1 4.35Å; V329-F356 HydrophobicContact CG2-CD1 3.99Å; V329-F356 HydrophobicContact CG2-CE1 4.06Å; M332-F356 HydrophobicContact CB-CB 4.37Å; M332-F356 HydrophobicContact CB-CD1 3.77Å; M332-F356 HydrophobicContact CB-CE1 4.18Å; M332-F356 HydrophobicContact CB-CG 4.08Å; M332-F356 HydrophobicContact CE-CD2 4.49Å; M332-F356 HydrophobicContact CG-CB 3.83Å; M332-F356 HydrophobicContact CG-CD1 4.12Å; M332-F356 HydrophobicContact CG-CD2 4.42Å; M332-F356 HydrophobicContact CG-CG 3.89Å; K352-F356 HydrophobicContact CB-CE2 4.21Å; K352-F356 WeakPolarHBondContact O-CD2 3.12Å; A353-F356 PolarHBondContact O-N 2.69Å; F356-K368 WeakPolarHBondContact O-CB 3.28Å; F356-K368 PolarHBondContact O-N 3.16Å
357	F	96.9	Very high	94.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	165.5	-174	-57.2	-88.5	0	0	0	111.4	L296 M332 V336 I341 P342 M347 A353 R354 W365 S366 V367	L296-F357 HydrophobicContact CD2-CE2 4.49Å; M332-F357 HydrophobicContact CE-CE2 4.46Å; M332-F357 HydrophobicContact CG-CE2 3.7Å; M332-F357 HydrophobicContact CG-CZ 3.78Å; M332-F357 HydrophobicContact SD-CE2 3.79Å; M332-F357 HydrophobicContact SD-CZ 3.78Å; V336-F357 HydrophobicContact CG2-CE1 3.86Å; V336-F357 HydrophobicContact CG2-CZ 3.7Å; I341-F357 HydrophobicContact CD1-CE1 4.12Å; I341-F357 HydrophobicContact CG2-CD1 4.43Å; I341-F357 HydrophobicContact CG2-CE1 4.2Å; P342-F357 VanDerWaalsContact CD-CZ 3.42Å; P342-F357 HydrophobicContact CG-CE2 4.15Å; P342-F357 HydrophobicContact CG-CZ 3.78Å; M347-F357 HydrophobicContact CE-CB 3.55Å; M347-F357 HydrophobicContact CE-CD1 4.34Å; M347-F357 HydrophobicContact CE-CD2 3.29Å; M347-F357 HydrophobicContact CE-CE2 4.04Å; M347-F357 HydrophobicContact CE-CG 3.48Å; M347-F357 VanDerWaalsContact CE-CG 3.48Å; M347-F357 HydrophobicContact SD-CD2 3.79Å; M347-F357 HydrophobicContact SD-CE2 3.9Å; M347-F357 HydrophobicContact SD-CG 4.32Å; A353-F357 PolarHBondContact O-N 2.64Å; R354-F357 WeakPolarHBondContact CA-O 3.43Å; F357-W365 HydrophobicContact CB-CE3 3.71Å; F357-W365 HydrophobicContact CB-CZ3 4.2Å; F357-S366 CarbonylContact C-O 3.47Å; F357-S366 WeakPolarHBondContact CA-O 3.46Å; F357-S366 VanDerWaalsContact CB-O 3.28Å; F357-S366 WeakPolarHBondContact CB-O 3.39Å; F357-V367 HydrophobicContact CD1-CG2 4.32Å; F357-V367 HydrophobicContact CE1-CG2 4.09Å
358	E	95	Very high	94.5	Very high	71 Å²	71	68.5 Å²	68.5	33%	0.332	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.5	169.2	58.8	-159.7	-177.4	0	0	109.7	S366	E358-S366 VanDerWaalsContact CG-OG 3.29Å; E358-S366 WeakPolarHBondContact CG-OG 3.28Å; E358-S366 PolarHBondContact N-O 2.95Å; E358-S366 PolarHBondContact O-N 3.19Å; E358-S366 PolarHBondContact O-OG 3.05Å
359	K	94.5	Very high	94.1	Very high	94 Å²	94	73.2 Å²	73.2	41%	0.409	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.5	178.5	-160.3	173.2	-169.6	169.7	0	108.5	D348 G363 T364 W365	D348-K359 WeakPolarHBondContact OD1-CE 3.36Å; D348-K359 IonicContact OD1-NZ 3.6Å; D348-K359 PolarHBondContact OD1-NZ 2.88Å; D348-K359 IonicContact OD2-NZ 3.76Å; D348-K359 PolarHBondContact OD2-NZ 2.88Å; K359-G363 WeakPolarHBondContact CE-O 3.47Å; K359-T364 CarbonylContact C-O 3.45Å; K359-T364 WeakPolarHBondContact CA-O 3.25Å; K359-T364 WeakPolarHBondContact CG-O 3.37Å; K359-W365 HydrophobicContact CB-CD2 3.88Å; K359-W365 HydrophobicContact CB-CE3 3.85Å; K359-W365 HydrophobicContact CB-CH2 4.11Å; K359-W365 HydrophobicContact CB-CZ2 4.09Å; K359-W365 HydrophobicContact CB-CZ3 3.97Å; K359-W365 HydrophobicContact CD-CD2 4.42Å; K359-W365 HydrophobicContact CD-CZ2 3.87Å; K359-W365 HydrophobicContact CG-CD2 4Å; K359-W365 HydrophobicContact CG-CE3 4.48Å; K359-W365 HydrophobicContact CG-CG 4.36Å; K359-W365 HydrophobicContact CG-CZ2 4.25Å
360	L	93.3	Very high	93.3	Very high	78 Å²	78	68.8 Å²	68.8	41%	0.408	36%	0.356	S	S	.	.			trans	-82.4	167.7	-178.6	-60.6	-175.4	0	0	0	110.9	D362 G363 T364	L360-D362 WeakPolarHBondContact CB-OD1 3.49Å; L360-D362 PolarHBondContact O-N 3.1Å; L360-G363 PolarHBondContact O-N 3.09Å; L360-T364 PolarHBondContact N-O 3.31Å
361	S	92.6	Very high	92.4	Very high	140 Å²	140	78.2 Å²	78.2	98%	0.979	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.6	-178	51	0	0	0	0	114.2	G363	S361-G363 VanDerWaalsContact C-N 3.26Å
362	D	92.1	Very high	91.4	Very high	111 Å²	111	79.9 Å²	79.9	59%	0.594	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	0.4	172	62	8.7	0	0	0	113.1	L360 T364	L360-D362 WeakPolarHBondContact CB-OD1 3.49Å; L360-D362 PolarHBondContact O-N 3.1Å; D362-T364 VanDerWaalsContact C-N 3.32Å; D362-T364 VanDerWaalsContact OD1-CB 3.32Å; D362-T364 WeakPolarHBondContact OD1-CB 3.47Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.22Å; D362-T364 PolarHBondContact OD1-N 3.38Å; D362-T364 PolarHBondContact OD1-OG1 3.04Å; D362-T364 PolarHBondContact OD2-OG1 3.2Å
363	G	88.8	Confident	90.3	Very high	28 Å²	28	80 Å²	80	29%	0.289	42%	0.415	S	S	.	.	S	Bend	trans	82	0.6	-177.3	0	0	0	0	0	114.9	K359 L360 S361	K359-G363 WeakPolarHBondContact CE-O 3.47Å; L360-G363 PolarHBondContact O-N 3.09Å; S361-G363 VanDerWaalsContact C-N 3.26Å
364	T	91.9	Very high	89.7	Confident	57 Å²	57	84 Å²	84	35%	0.35	43%	0.432	S	S	.	.			trans	-78.8	163.2	173.6	69.1	0	0	0	0	111.8	K359 L360 D362	K359-T364 CarbonylContact C-O 3.45Å; K359-T364 WeakPolarHBondContact CA-O 3.25Å; K359-T364 WeakPolarHBondContact CG-O 3.37Å; L360-T364 PolarHBondContact N-O 3.31Å; D362-T364 VanDerWaalsContact C-N 3.32Å; D362-T364 VanDerWaalsContact OD1-CB 3.32Å; D362-T364 WeakPolarHBondContact OD1-CB 3.47Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.22Å; D362-T364 PolarHBondContact OD1-N 3.38Å; D362-T364 PolarHBondContact OD1-OG1 3.04Å; D362-T364 PolarHBondContact OD2-OG1 3.2Å
365	W	94.8	Very high	89.2	Confident	20 Å²	20	86.2 Å²	86.2	8%	0.076	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.8	176.3	-73	92.6	0	0	0	111.4	I341 M347 D348 A353 R354 F357 K359	I341-W365 HydrophobicContact CG2-CB 4.15Å; M347-W365 HydrophobicContact CB-CD2 4.06Å; M347-W365 HydrophobicContact CB-CG 3.93Å; M347-W365 HydrophobicContact CB-CZ2 4.33Å; M347-W365 HydrophobicContact CE-CB 4.3Å; M347-W365 HydrophobicContact CE-CD2 3.56Å; M347-W365 HydrophobicContact CE-CE3 3.48Å; M347-W365 VanDerWaalsContact CE-CE3 3.48Å; M347-W365 HydrophobicContact CE-CG 3.96Å; M347-W365 HydrophobicContact CE-CH2 4.33Å; M347-W365 HydrophobicContact CE-CZ2 4.43Å; M347-W365 HydrophobicContact CE-CZ3 3.89Å; M347-W365 HydrophobicContact CG-CG 4.19Å; D348-W365 WeakPolarHBondContact OD1-CZ2 3.45Å; D348-W365 PolarHBondContact OD1-NE1 2.63Å; A353-W365 HydrophobicContact CB-CH2 3.76Å; A353-W365 HydrophobicContact CB-CZ2 4.41Å; A353-W365 HydrophobicContact CB-CZ3 4.03Å; R354-W365 HydrophobicContact CG-CH2 4.26Å; R354-W365 HydrophobicContact CG-CZ3 4.34Å; F357-W365 HydrophobicContact CB-CE3 3.71Å; F357-W365 HydrophobicContact CB-CZ3 4.2Å; K359-W365 HydrophobicContact CB-CD2 3.88Å; K359-W365 HydrophobicContact CB-CE3 3.85Å; K359-W365 HydrophobicContact CB-CH2 4.11Å; K359-W365 HydrophobicContact CB-CZ2 4.09Å; K359-W365 HydrophobicContact CB-CZ3 3.97Å; K359-W365 HydrophobicContact CD-CD2 4.42Å; K359-W365 HydrophobicContact CD-CZ2 3.87Å; K359-W365 HydrophobicContact CG-CD2 4Å; K359-W365 HydrophobicContact CG-CE3 4.48Å; K359-W365 HydrophobicContact CG-CG 4.36Å; K359-W365 HydrophobicContact CG-CZ2 4.25Å
366	S	94.3	Very high	89	Confident	28 Å²	28	84 Å²	84	20%	0.196	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.2	178.5	68.5	0	0	0	0	111.8	F357 E358 K368	F357-S366 CarbonylContact C-O 3.47Å; F357-S366 WeakPolarHBondContact CA-O 3.46Å; F357-S366 VanDerWaalsContact CB-O 3.28Å; F357-S366 WeakPolarHBondContact CB-O 3.39Å; E358-S366 VanDerWaalsContact CG-OG 3.29Å; E358-S366 WeakPolarHBondContact CG-OG 3.28Å; E358-S366 PolarHBondContact N-O 2.95Å; E358-S366 PolarHBondContact O-N 3.19Å; E358-S366 PolarHBondContact O-OG 3.05Å; S366-K368 PolarHBondContact O-N 3.01Å
367	V	94.1	Very high	88.9	Confident	40 Å²	40	89.7 Å²	89.7	24%	0.242	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.4	178.1	-179.5	0	0	0	0	109.9	N333 V336 I341 F357 K369 P379	N333-V367 WeakPolarHBondContact OD1-CG1 3.13Å; V336-V367 HydrophobicContact CG1-CG2 3.74Å; I341-V367 HydrophobicContact CD1-CG2 3.64Å; F357-V367 HydrophobicContact CD1-CG2 4.32Å; F357-V367 HydrophobicContact CE1-CG2 4.09Å; V367-K369 PolarHBondContact O-N 3.47Å; V367-P379 HydrophobicContact CG2-CG 4.41Å
368	K	91.8	Very high	88.8	Confident	90 Å²	90	94 Å²	94	39%	0.391	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-69.1	127.6	-179.8	-168.1	168.3	-170.5	156.8	0	110.7	R354 F356 S366 T370	R354-K368 PolarHBondContact O-NZ 2.75Å; F356-K368 WeakPolarHBondContact O-CB 3.28Å; F356-K368 PolarHBondContact O-N 3.16Å; S366-K368 PolarHBondContact O-N 3.01Å; K368-T370 PolarHBondContact O-N 3.37Å
369	K	84.6	Confident	88.9	Confident	183 Å²	183	93.6 Å²	93.6	80%	0.796	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-59	130.5	-179.4	-65.6	172.5	-174.8	167.7	0	111	V367	V367-K369 PolarHBondContact O-N 3.47Å
370	T	79.4	Confident	89	Confident	37 Å²	37	90.4 Å²	90.4	23%	0.227	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-71.4	136.6	178	41.2	0	0	0	0	111.5	K368 D372 K374 Y376	K368-T370 PolarHBondContact O-N 3.37Å; T370-D372 PolarHBondContact O-N 2.83Å; T370-K374 PolarHBondContact OG1-O 3.41Å; T370-Y376 HydrophobicContact CG2-CE2 3.78Å
371	K	77.3	Confident	89.2	Confident	208 Å²	208	89.2 Å²	89.2	90%	0.904	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-30.1	173.1	-66.1	-172.9	176.1	-173.6	0	112.1	G373	K371-G373 PolarHBondContact O-N 2.9Å
372	D	76	Confident	89.5	Confident	136 Å²	136	84.9 Å²	84.9	73%	0.727	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	6.7	-171.6	-36.5	-46.1	0	0	0	113.4	T370 K374	T370-D372 PolarHBondContact O-N 2.83Å; D372-K374 PolarHBondContact O-N 3.42Å
373	G	74.8	Confident	89.8	Confident	56 Å²	56	85 Å²	85	58%	0.577	43%	0.433	S	S	*	.			trans	67	-0.4	-178.6	0	0	0	0	0	115.6	K371 R375	K371-G373 PolarHBondContact O-N 2.9Å; G373-R375 PolarHBondContact O-N 2.9Å; G373-R375 VanDerWaalsContact O-N 3.13Å
374	K	83.2	Confident	90.2	Very high	88 Å²	88	84.1 Å²	84.1	38%	0.383	42%	0.421	S	S	.	.			trans	-65.2	111.3	-179.7	-176.7	172.3	171.9	-176.5	0	110.6	D330 T370 D372 Y376	D330-K374 IonicContact OD1-NZ 2.85Å; D330-K374 PolarHBondContact OD1-NZ 3.19Å; D330-K374 IonicContact OD2-NZ 3.22Å; D330-K374 PolarHBondContact OD2-NZ 3.2Å; T370-K374 PolarHBondContact OG1-O 3.41Å; D372-K374 PolarHBondContact O-N 3.42Å; K374-Y376 HydrophobicContact CD-CE1 4.28Å; K374-Y376 HydrophobicContact CG-CE1 4.43Å; K374-Y376 HydrophobicContact CG-CE2 4.48Å
375	R	85.4	Confident	90.6	Very high	241 Å²	241	84 Å²	84	91%	0.909	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-83.1	130.1	177.7	-68	-175.9	-78.1	-172	-3.3	110.8	G373	G373-R375 PolarHBondContact O-N 2.9Å; G373-R375 VanDerWaalsContact O-N 3.13Å
376	Y	91.6	Very high	90.7	Very high	54 Å²	54	87.2 Å²	87.2	21%	0.212	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-102.7	166.1	171	-61	-77.4	0	0	0	110.5	D330 N333 T370 K374	D330-Y376 WeakPolarHBondContact OD1-CE1 3.47Å; D330-Y376 PolarHBondContact OD1-OH 3.31Å; N333-Y376 HydrophobicContact CB-CD1 3.71Å; N333-Y376 HydrophobicContact CB-CD2 3.82Å; N333-Y376 HydrophobicContact CB-CE1 3.56Å; N333-Y376 HydrophobicContact CB-CE2 3.68Å; N333-Y376 HydrophobicContact CB-CG 3.83Å; N333-Y376 WeakPolarHBondContact OD1-CD2 3.37Å; N333-Y376 VanDerWaalsContact OD1-CE2 3.31Å; N333-Y376 WeakPolarHBondContact OD1-CE2 3.4Å; T370-Y376 HydrophobicContact CG2-CE2 3.78Å; K374-Y376 HydrophobicContact CD-CE1 4.28Å; K374-Y376 HydrophobicContact CG-CE1 4.43Å; K374-Y376 HydrophobicContact CG-CE2 4.48Å
377	K	94.1	Very high	90.9	Very high	122 Å²	122	87.3 Å²	87.3	53%	0.53	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-71.1	155.8	167.8	-58	-173.6	174.3	-171.3	0	110.5	E337 S381 R382	E337-K377 HydrophobicContact CG-CB 4.05Å; E337-K377 PolarHBondContact OE1-N 2.75Å; K377-S381 WeakPolarHBondContact CB-OG 3.37Å; K377-R382 HydrophobicContact CD-CB 4.33Å
378	P	95.4	Very high	91.1	Very high	91 Å²	91	85.4 Å²	85.4	59%	0.591	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-57	153.1	174.8	-25.6	35	0	0	0	112.9	A380 S381	P378-A380 PolarHBondContact O-N 2.92Å; P378-S381 VanDerWaalsContact O-CB 3.28Å; P378-S381 WeakPolarHBondContact O-CB 3.39Å; P378-S381 PolarHBondContact O-N 3.37Å; P378-S381 VanDerWaalsContact O-N 3.16Å; P378-S381 PolarHBondContact O-OG 3.2Å
379	P	96.8	Very high	91.5	Very high	64 Å²	64	81.1 Å²	81.1	42%	0.416	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	138	176.3	-27.9	35.4	0	0	0	113	V336 I341 V367 S381	V336-P379 HydrophobicContact CG1-CB 3.77Å; V336-P379 HydrophobicContact CG1-CG 3.88Å; V336-P379 WeakPolarHBondContact O-CA 3.42Å; I341-P379 HydrophobicContact CD1-CB 4.13Å; I341-P379 HydrophobicContact CD1-CG 3.81Å; I341-P379 HydrophobicContact CG1-CB 4.34Å; I341-P379 HydrophobicContact CG1-CG 4.4Å; V367-P379 HydrophobicContact CG2-CG 4.41Å; P379-S381 PolarHBondContact O-N 2.89Å
380	A	97.4	Very high	92.1	Very high	26 Å²	26	72.5 Å²	72.5	22%	0.215	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	18	-178.1	0	0	0	0	0	116.1	V336 E337 P378 K383	V336-A380 PolarHBondContact O-N 3Å; E337-A380 CarbonylContact O-C 3.34Å; E337-A380 WeakPolarHBondContact O-CA 3.42Å; E337-A380 PolarHBondContact O-N 3.48Å; P378-A380 PolarHBondContact O-N 2.92Å; A380-K383 VanDerWaalsContact O-CD 3.28Å; A380-K383 WeakPolarHBondContact O-CD 3.47Å; A380-K383 WeakPolarHBondContact O-CE 3.38Å; A380-K383 PolarHBondContact O-NZ 3.27Å
381	S	97.8	Very high	93	Very high	53 Å²	53	77 Å²	77	37%	0.371	39%	0.391	S	S	.	.			trans	-85.3	-27.4	179.8	66	0	0	0	0	113.9	E337 K377 P378 P379 K383	E337-S381 PolarHBondContact O-N 2.99Å; K377-S381 WeakPolarHBondContact CB-OG 3.37Å; P378-S381 VanDerWaalsContact O-CB 3.28Å; P378-S381 WeakPolarHBondContact O-CB 3.39Å; P378-S381 PolarHBondContact O-N 3.37Å; P378-S381 VanDerWaalsContact O-N 3.16Å; P378-S381 PolarHBondContact O-OG 3.2Å; P379-S381 PolarHBondContact O-N 2.89Å; S381-K383 PolarHBondContact O-N 3.01Å
382	R	97.6	Very high	94	Very high	49 Å²	49	71.9 Å²	71.9	19%	0.185	38%	0.378	C	S	.	.	S	Bend	trans	-83.1	65	175.7	-168.7	-169.2	167	-141.8	0.4	109.9	L322 E337 V338 K377 L384 I387	L322-R382 PolarHBondContact O-NH1 3.09Å; E337-R382 HydrophobicContact CB-CB 4.09Å; E337-R382 WeakPolarHBondContact O-CB 3.3Å; E337-R382 PolarHBondContact O-N 2.81Å; V338-R382 HydrophobicContact CG2-CB 4.14Å; V338-R382 HydrophobicContact CG2-CG 4.22Å; K377-R382 HydrophobicContact CD-CB 4.33Å; R382-L384 PolarHBondContact O-N 2.94Å; R382-I387 HydrophobicContact CG-CD1 4.08Å; R382-I387 HydrophobicContact CG-CG1 4.34Å
383	K	98.3	Very high	95	Very high	115 Å²	115	66.3 Å²	66.3	50%	0.5	35%	0.352	S	S	.	.			trans	-52.1	127.9	-174.2	-59	-60.5	-175.9	-166.3	0	112.5	A380 S381 H385 S386 I387	A380-K383 VanDerWaalsContact O-CD 3.28Å; A380-K383 WeakPolarHBondContact O-CD 3.47Å; A380-K383 WeakPolarHBondContact O-CE 3.38Å; A380-K383 PolarHBondContact O-NZ 3.27Å; S381-K383 PolarHBondContact O-N 3.01Å; K383-H385 PolarHBondContact O-N 3.19Å; K383-S386 WeakPolarHBondContact O-CB 3.49Å; K383-S386 PolarHBondContact O-N 3.34Å; K383-I387 PolarHBondContact O-N 3.38Å
384	L	98.4	Very high	96.1	Very high	9 Å²	9	63.7 Å²	63.7	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-55.2	-34.8	175	-179.3	67.2	0	0	0	112.7	V314 L322 V338 R382 S386 I387 L388 K414 I417 L418	V314-L384 HydrophobicContact CG2-CD1 4.21Å; L322-L384 HydrophobicContact CD1-CD1 4.37Å; V338-L384 HydrophobicContact CG1-CB 4.23Å; R382-L384 PolarHBondContact O-N 2.94Å; L384-S386 PolarHBondContact O-N 2.97Å; L384-I387 HydrophobicContact CD1-CB 4.45Å; L384-I387 HydrophobicContact CD1-CD1 4.47Å; L384-I387 PolarHBondContact O-N 2.68Å; L384-I387 VanDerWaalsContact O-N 3.13Å; L384-L388 HydrophobicContact CD1-CD1 4.22Å; L384-L388 HydrophobicContact CD1-CG 4.09Å; L384-L388 HydrophobicContact CD2-CD1 4.37Å; L384-L388 HydrophobicContact CG-CD1 3.95Å; L384-L388 HydrophobicContact CG-CG 4.23Å; L384-L388 WeakPolarHBondContact O-CG 3.36Å; L384-L388 PolarHBondContact O-N 3.13Å; L384-K414 HydrophobicContact CD2-CG 4.29Å; L384-I417 HydrophobicContact CD2-CB 4.1Å; L384-I417 HydrophobicContact CD2-CG2 3.63Å; L384-L418 HydrophobicContact CD2-CD2 3.87Å; L384-L418 HydrophobicContact CD2-CG 3.92Å
385	H	98.6	Very high	96.8	Very high	54 Å²	54	59.7 Å²	59.7	25%	0.25	31%	0.308	C	S	.	.	H	α-helix	trans	-53.8	-40.9	173.7	178.6	110.6	0	0	0	112.4	K383 G389 V390 E391 K414	K383-H385 PolarHBondContact O-N 3.19Å; H385-G389 PolarHBondContact O-N 2.94Å; H385-G389 VanDerWaalsContact O-N 3.17Å; H385-V390 HydrophobicContact CB-CG2 4.3Å; H385-V390 WeakPolarHBondContact O-CG2 3.4Å; H385-V390 PolarHBondContact O-N 3.39Å; H385-E391 IonicContact CE1-OE1 2.69Å; H385-E391 PolarHBondContact CE1-OE1 3.16Å; H385-E391 IonicContact NE2-OE1 2.86Å; H385-E391 IonicContact NE2-OE2 2.62Å; H385-K414 HydrophobicContact CB-CD 4.14Å
386	S	98.3	Very high	97.3	Very high	87 Å²	87	51.7 Å²	51.7	61%	0.608	30%	0.3	S	S	*	.	H	α-helix	trans	-78.6	-31.4	177.5	-48.9	0	0	0	0	112.7	K383 L384 G389	K383-S386 WeakPolarHBondContact O-CB 3.49Å; K383-S386 PolarHBondContact O-N 3.34Å; L384-S386 PolarHBondContact O-N 2.97Å; S386-G389 PolarHBondContact O-N 2.65Å
387	I	98.6	Very high	97.6	Very high	30 Å²	30	50.7 Å²	50.7	15%	0.154	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-43.7	173.9	-59.9	175.2	0	0	0	110.5	V314 T318 L322 V338 R382 K383 L384 G389	V314-I387 HydrophobicContact CG1-CG2 4.39Å; T318-I387 HydrophobicContact CG2-CG2 4.12Å; L322-I387 HydrophobicContact CD1-CD1 3.69Å; L322-I387 HydrophobicContact CD1-CG2 4.48Å; V338-I387 HydrophobicContact CG1-CD1 4.35Å; V338-I387 HydrophobicContact CG2-CD1 4.03Å; R382-I387 HydrophobicContact CG-CD1 4.08Å; R382-I387 HydrophobicContact CG-CG1 4.34Å; K383-I387 PolarHBondContact O-N 3.38Å; L384-I387 HydrophobicContact CD1-CB 4.45Å; L384-I387 HydrophobicContact CD1-CD1 4.47Å; L384-I387 PolarHBondContact O-N 2.68Å; L384-I387 VanDerWaalsContact O-N 3.13Å; I387-G389 VanDerWaalsContact C-N 3.3Å
388	L	98.6	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.6	177.9	-65.2	176.8	0	0	0	113.2	V314 L384 V390 G394 P395 Y410 F413 K414	V314-L388 HydrophobicContact CG1-CD2 4.17Å; V314-L388 HydrophobicContact CG2-CD2 4.46Å; L384-L388 HydrophobicContact CD1-CD1 4.22Å; L384-L388 HydrophobicContact CD1-CG 4.09Å; L384-L388 HydrophobicContact CD2-CD1 4.37Å; L384-L388 HydrophobicContact CG-CD1 3.95Å; L384-L388 HydrophobicContact CG-CG 4.23Å; L384-L388 WeakPolarHBondContact O-CG 3.36Å; L384-L388 PolarHBondContact O-N 3.13Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 HydrophobicContact CB-CG2 4.01Å; L388-V390 PolarHBondContact O-N 3.31Å; L388-G394 CarbonylContact O-C 3.09Å; L388-G394 WeakPolarHBondContact O-CA 3.49Å; L388-P395 WeakPolarHBondContact O-CD 3.27Å; L388-Y410 HydrophobicContact CB-CD1 4.47Å; L388-F413 HydrophobicContact CD1-CD1 4Å; L388-F413 HydrophobicContact CD1-CE1 4.37Å; L388-F413 HydrophobicContact CD2-CD1 4.02Å; L388-F413 HydrophobicContact CD2-CE1 3.69Å; L388-K414 HydrophobicContact CD1-CB 3.95Å; L388-K414 HydrophobicContact CD1-CG 4.38Å
389	G	98.4	Very high	97.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.01	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	38.8	-176.4	0	0	0	0	0	113.7	H385 S386 I387 E391 T392 G393 G394	H385-G389 PolarHBondContact O-N 2.94Å; H385-G389 VanDerWaalsContact O-N 3.17Å; S386-G389 PolarHBondContact O-N 2.65Å; I387-G389 VanDerWaalsContact C-N 3.3Å; G389-E391 PolarHBondContact O-N 3.41Å; G389-E391 VanDerWaalsContact O-N 3.1Å; G389-T392 WeakPolarHBondContact CA-OG1 3.17Å; G389-T392 PolarHBondContact O-N 2.85Å; G389-T392 PolarHBondContact O-OG1 3.47Å; G389-G393 PolarHBondContact O-N 3.29Å; G389-G394 WeakPolarHBondContact O-CA 3.45Å; G389-G394 PolarHBondContact O-N 2.94Å
390	V	98.3	Very high	97.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-41.8	-168.7	173.3	0	0	0	0	113.3	H385 L388 V407 L411	H385-V390 HydrophobicContact CB-CG2 4.3Å; H385-V390 WeakPolarHBondContact O-CG2 3.4Å; H385-V390 PolarHBondContact O-N 3.39Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 HydrophobicContact CB-CG2 4.01Å; L388-V390 PolarHBondContact O-N 3.31Å; V390-V407 HydrophobicContact CG1-CG1 4.16Å; V390-L411 HydrophobicContact CG1-CD2 3.9Å; V390-L411 HydrophobicContact CG1-CG 3.94Å
391	E	97.9	Very high	97.7	Very high	132 Å²	132	49.7 Å²	49.7	62%	0.617	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-4.1	-179.6	-70.3	167.2	-163.8	0	0	112.9	H385 G389 V407	H385-E391 IonicContact CE1-OE1 2.69Å; H385-E391 PolarHBondContact CE1-OE1 3.16Å; H385-E391 IonicContact NE2-OE1 2.86Å; H385-E391 IonicContact NE2-OE2 2.62Å; G389-E391 PolarHBondContact O-N 3.41Å; G389-E391 VanDerWaalsContact O-N 3.1Å; E391-V407 HydrophobicContact CG-CG1 3.9Å
392	T	97.9	Very high	97.7	Very high	100 Å²	100	50.8 Å²	50.8	61%	0.613	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	24.7	-170.9	65.9	0	0	0	0	113.2	G389 G397	G389-T392 WeakPolarHBondContact CA-OG1 3.17Å; G389-T392 PolarHBondContact O-N 2.85Å; G389-T392 PolarHBondContact O-OG1 3.47Å; T392-G397 VanDerWaalsContact O-CA 3.32Å; T392-G397 WeakPolarHBondContact O-CA 3.17Å
393	G	97.1	Very high	97.5	Very high	19 Å²	19	53.8 Å²	53.8	20%	0.196	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	34.9	-177.8	0	0	0	0	0	114.2	G389 G397 R398 R399 A400	G389-G393 PolarHBondContact O-N 3.29Å; G393-G397 CarbonylContact O-C 3.36Å; G393-G397 WeakPolarHBondContact O-CA 3.32Å; G393-R398 PolarHBondContact O-N 2.92Å; G393-R399 CarbonylContact O-C 3.59Å; G393-R399 VanDerWaalsContact O-CA 3.28Å; G393-R399 WeakPolarHBondContact O-CA 3.46Å; G393-R399 WeakPolarHBondContact O-CB 3.5Å; G393-R399 PolarHBondContact O-N 3.38Å; G393-A400 PolarHBondContact O-N 3.07Å
394	G	98.3	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	78.1	-171	176.1	0	0	0	0	0	115.2	L388 G389 G396 G397 Y410	L388-G394 CarbonylContact O-C 3.09Å; L388-G394 WeakPolarHBondContact O-CA 3.49Å; G389-G394 WeakPolarHBondContact O-CA 3.45Å; G389-G394 PolarHBondContact O-N 2.94Å; G394-G396 PolarHBondContact O-N 3.35Å; G394-G397 PolarHBondContact O-N 2.84Å; G394-Y410 WeakPolarHBondContact CA-OH 3.43Å
395	P	97.9	Very high	97.2	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.032	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-56.7	113.5	-175.9	-28.1	37	0	0	0	112.4	T318 L388 G397 R398	T318-P395 HydrophobicContact CG2-CB 4.28Å; T318-P395 HydrophobicContact CG2-CG 4.12Å; L388-P395 WeakPolarHBondContact O-CD 3.27Å; P395-G397 PolarHBondContact O-N 3.34Å; P395-R398 WeakPolarHBondContact O-CB 3.41Å; P395-R398 WeakPolarHBondContact O-CG 3.15Å; P395-R398 VanDerWaalsContact O-CZ 3.24Å; P395-R398 PolarHBondContact O-N 3.49Å; P395-R398 PolarHBondContact O-NE 3.43Å; P395-R398 PolarHBondContact O-NH1 3.47Å
396	G	96.8	Very high	97.1	Very high	72 Å²	72	49.3 Å²	49.3	74%	0.742	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	61.7	25.7	-176.1	0	0	0	0	0	114.9	G394 R398	G394-G396 PolarHBondContact O-N 3.35Å; G396-R398 PolarHBondContact O-N 3.12Å
397	G	97.8	Very high	97.1	Very high	33 Å²	33	48.3 Å²	48.3	34%	0.34	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	71.5	5.3	-178.4	0	0	0	0	0	115.2	T392 G393 G394 P395 R399 A400	T392-G397 VanDerWaalsContact O-CA 3.32Å; T392-G397 WeakPolarHBondContact O-CA 3.17Å; G393-G397 CarbonylContact O-C 3.36Å; G393-G397 WeakPolarHBondContact O-CA 3.32Å; G394-G397 PolarHBondContact O-N 2.84Å; P395-G397 PolarHBondContact O-N 3.34Å; G397-R399 PolarHBondContact O-N 3.02Å; G397-R399 VanDerWaalsContact O-N 3.14Å; G397-A400 PolarHBondContact O-N 3.36Å
398	R	97.3	Very high	97	Very high	81 Å²	81	49.4 Å²	49.4	31%	0.306	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.4	-169.4	-60	-172.3	-59	-99.1	7.1	114.8	R217 T318 G393 P395 G396	R217-R398 PolarHBondContact O-NE 2.75Å; R217-R398 PolarHBondContact O-NH2 3.23Å; T318-R398 PolarHBondContact O-NH2 3.28Å; G393-R398 PolarHBondContact O-N 2.92Å; P395-R398 WeakPolarHBondContact O-CB 3.41Å; P395-R398 WeakPolarHBondContact O-CG 3.15Å; P395-R398 VanDerWaalsContact O-CZ 3.24Å; P395-R398 PolarHBondContact O-N 3.49Å; P395-R398 PolarHBondContact O-NE 3.43Å; P395-R398 PolarHBondContact O-NH1 3.47Å; G396-R398 PolarHBondContact O-N 3.12Å
399	R	97.9	Very high	96.9	Very high	37 Å²	37	50 Å²	50	14%	0.14	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	10.3	-178.7	-52	-58.8	-179.8	-165.6	-0.9	112.9	G218 G393 G397 G401 E402 H405 Y410	G218-R399 PolarHBondContact O-NH2 3Å; G393-R399 CarbonylContact O-C 3.59Å; G393-R399 VanDerWaalsContact O-CA 3.28Å; G393-R399 WeakPolarHBondContact O-CA 3.46Å; G393-R399 WeakPolarHBondContact O-CB 3.5Å; G393-R399 PolarHBondContact O-N 3.38Å; G397-R399 PolarHBondContact O-N 3.02Å; G397-R399 VanDerWaalsContact O-N 3.14Å; R399-G401 PolarHBondContact O-N 2.98Å; R399-G401 VanDerWaalsContact O-N 3.16Å; R399-E402 HydrophobicContact CB-CB 4.45Å; R399-E402 WeakPolarHBondContact CD-OE1 3.35Å; R399-E402 WeakPolarHBondContact CD-OE2 3.42Å; R399-E402 IonicContact CZ-OE1 3.97Å; R399-E402 IonicContact NE-OE1 2.69Å; R399-E402 IonicContact NH1-OE1 2.7Å; R399-E402 PolarHBondContact NH1-OE1 2.94Å; R399-E402 IonicContact NH1-OE2 2.68Å; R399-E402 PolarHBondContact NH1-OE2 3.18Å; R399-E402 PolarHBondContact O-N 2.97Å; R399-H405 HydrophobicContact CB-CB 3.97Å; R399-Y410 WeakPolarHBondContact CG-OH 3.1Å
400	A	97	Very high	96.9	Very high	76 Å²	76	50 Å²	50	63%	0.628	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	118.4	177.8	0	0	0	0	0	110.7	G393 G397 E402	G393-A400 PolarHBondContact O-N 3.07Å; G397-A400 PolarHBondContact O-N 3.36Å; A400-E402 VanDerWaalsContact C-N 3.32Å; A400-E402 PolarHBondContact O-N 3.38Å
401	G	93.7	Very high	96.9	Very high	89 Å²	89	53.1 Å²	53.1	92%	0.918	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-0.3	-176.6	0	0	0	0	0	115.8	R399	R399-G401 PolarHBondContact O-N 2.98Å; R399-G401 VanDerWaalsContact O-N 3.16Å
402	E	96.4	Very high	97	Very high	76 Å²	76	49.5 Å²	49.5	36%	0.355	34%	0.344	S	S	.	.			trans	-73.3	136.4	171.7	-73.1	-169.6	-145.9	0	0	111.2	R399 A400 H405	R399-E402 HydrophobicContact CB-CB 4.45Å; R399-E402 WeakPolarHBondContact CD-OE1 3.35Å; R399-E402 WeakPolarHBondContact CD-OE2 3.42Å; R399-E402 IonicContact CZ-OE1 3.97Å; R399-E402 IonicContact NE-OE1 2.69Å; R399-E402 IonicContact NH1-OE1 2.7Å; R399-E402 PolarHBondContact NH1-OE1 2.94Å; R399-E402 IonicContact NH1-OE2 2.68Å; R399-E402 PolarHBondContact NH1-OE2 3.18Å; R399-E402 PolarHBondContact O-N 2.97Å; A400-E402 VanDerWaalsContact C-N 3.32Å; A400-E402 PolarHBondContact O-N 3.38Å; E402-H405 HydrophobicContact CB-CB 4.4Å; E402-H405 WeakPolarHBondContact CB-ND1 3.3Å; E402-H405 IonicContact OE2-CE1 3.75Å; E402-H405 PolarHBondContact OE2-CE1 2.82Å; E402-H405 IonicContact OE2-ND1 2.69Å; E402-H405 PolarHBondContact OE2-ND1 3.14Å; E402-H405 IonicContact OE2-NE2 2.67Å
403	S	94.3	Very high	97	Very high	111 Å²	111	44.8 Å²	44.8	78%	0.776	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	152.8	169.5	54.7	0	0	0	0	111.5	H405	S403-H405 PolarHBondContact O-N 3.32Å; S403-H405 PolarHBondContact O-ND1 3.24Å
404	G	92.8	Very high	97.1	Very high	17 Å²	17	46.3 Å²	46.3	18%	0.175	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	6	-175	0	0	0	0	0	115.4
405	H	97.3	Very high	97.1	Very high	15 Å²	15	49 Å²	49	7%	0.069	33%	0.331	C	S	.	.			trans	-122.8	34.1	-178.8	-60.3	96.7	0	0	0	112.4	S220 L221 H317 R399 E402 S403 Y410	S220-H405 WeakPolarHBondContact CA-NE2 3.5Å; L221-H405 PolarHBondContact N-NE2 3.32Å; H317-H405 AromaticContact CE1-CD2 3.8Å; H317-H405 AromaticContact CE1-NE2 3.76Å; R399-H405 HydrophobicContact CB-CB 3.97Å; E402-H405 HydrophobicContact CB-CB 4.4Å; E402-H405 WeakPolarHBondContact CB-ND1 3.3Å; E402-H405 IonicContact OE2-CE1 3.75Å; E402-H405 PolarHBondContact OE2-CE1 2.82Å; E402-H405 IonicContact OE2-ND1 2.69Å; E402-H405 PolarHBondContact OE2-ND1 3.14Å; E402-H405 IonicContact OE2-NE2 2.67Å; S403-H405 PolarHBondContact O-N 3.32Å; S403-H405 PolarHBondContact O-ND1 3.24Å; H405-Y410 HydrophobicContact CB-CE2 3.89Å; H405-Y410 PolarHBondContact CD2-OH 2.59Å; H405-Y410 VanDerWaalsContact O-CE2 3.24Å; H405-Y410 WeakPolarHBondContact O-CE2 3.28Å
406	A	96.6	Very high	97.2	Very high	52 Å²	52	48.8 Å²	48.8	43%	0.43	33%	0.329	S	S	.	.			trans	-68.6	153.8	176.8	0	0	0	0	0	111.7	A408 D409 Y410	A406-A408 PolarHBondContact O-N 3.16Å; A406-A408 VanDerWaalsContact O-N 3.15Å; A406-D409 PolarHBondContact O-N 3.02Å; A406-Y410 WeakPolarHBondContact O-CD2 3.32Å; A406-Y410 PolarHBondContact O-N 3.47Å; A406-Y410 VanDerWaalsContact O-N 3.09Å
407	V	97.8	Very high	97.3	Very high	66 Å²	66	45.3 Å²	45.3	40%	0.4	29%	0.294	S	S	.	.	H	α-helix	trans	-51.4	-40.1	176.3	-178.7	0	0	0	0	111.3	V390 E391 D409 Y410 L411	V390-V407 HydrophobicContact CG1-CG1 4.16Å; E391-V407 HydrophobicContact CG-CG1 3.9Å; V407-D409 VanDerWaalsContact C-N 3.32Å; V407-D409 PolarHBondContact O-N 3.03Å; V407-Y410 PolarHBondContact O-N 2.86Å; V407-L411 HydrophobicContact CG1-CD1 4.18Å; V407-L411 HydrophobicContact CG1-CG 4.46Å; V407-L411 VanDerWaalsContact O-CG 3.32Å; V407-L411 WeakPolarHBondContact O-CG 3.39Å; V407-L411 PolarHBondContact O-N 3.03Å
408	A	97.2	Very high	97.3	Very high	54 Å²	54	47.3 Å²	47.3	45%	0.446	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-34.5	176.7	0	0	0	0	0	113.5	A406 K412	A406-A408 PolarHBondContact O-N 3.16Å; A406-A408 VanDerWaalsContact O-N 3.15Å; A408-K412 WeakPolarHBondContact O-CE 3.47Å; A408-K412 VanDerWaalsContact O-CG 3.27Å; A408-K412 WeakPolarHBondContact O-CG 3.36Å; A408-K412 PolarHBondContact O-N 3.22Å; A408-K412 VanDerWaalsContact O-N 3.17Å
409	D	97.1	Very high	97.4	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.064	30%	0.301	C	S	.	.	H	α-helix	trans	-77.9	-37.5	178.3	-62.3	-47.4	0	0	0	111.8	L221 A406 V407 L411 K412 F413 T443	L221-D409 HydrophobicContact CD2-CB 3.87Å; A406-D409 PolarHBondContact O-N 3.02Å; V407-D409 VanDerWaalsContact C-N 3.32Å; V407-D409 PolarHBondContact O-N 3.03Å; D409-L411 VanDerWaalsContact C-N 3.31Å; D409-L411 PolarHBondContact O-N 3.44Å; D409-K412 PolarHBondContact O-N 2.93Å; D409-K412 IonicContact OD1-NZ 3.84Å; D409-K412 PolarHBondContact OD1-NZ 3.11Å; D409-F413 WeakPolarHBondContact O-CB 3.42Å; D409-F413 PolarHBondContact O-N 3.44Å; D409-T443 WeakPolarHBondContact OD1-CG2 3.36Å
410	Y	98.4	Very high	97.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-36.5	169.1	-81.4	-66.3	0	0	0	112.9	L221 H317 L388 G394 R399 H405 A406 V407 F413 K414	L221-Y410 HydrophobicContact CD2-CD1 4.3Å; L221-Y410 HydrophobicContact CD2-CE1 4.37Å; L221-Y410 HydrophobicContact CD2-CG 4.49Å; H317-Y410 AromaticContact CD2-CE1 3.87Å; H317-Y410 AromaticContact NE2-CE1 3.3Å; H317-Y410 VanDerWaalsContact NE2-CE1 3.3Å; H317-Y410 WeakPolarHBondContact NE2-CE1 3.38Å; H317-Y410 AromaticContact NE2-CZ 3.61Å; H317-Y410 PolarHBondContact NE2-OH 2.91Å; H317-Y410 VanDerWaalsContact NE2-OH 3.12Å; L388-Y410 HydrophobicContact CB-CD1 4.47Å; G394-Y410 WeakPolarHBondContact CA-OH 3.43Å; R399-Y410 WeakPolarHBondContact CG-OH 3.1Å; H405-Y410 HydrophobicContact CB-CE2 3.89Å; H405-Y410 PolarHBondContact CD2-OH 2.59Å; H405-Y410 VanDerWaalsContact O-CE2 3.24Å; H405-Y410 WeakPolarHBondContact O-CE2 3.28Å; A406-Y410 WeakPolarHBondContact O-CD2 3.32Å; A406-Y410 PolarHBondContact O-N 3.47Å; A406-Y410 VanDerWaalsContact O-N 3.09Å; V407-Y410 PolarHBondContact O-N 2.86Å; Y410-F413 PolarHBondContact O-N 2.77Å; Y410-K414 WeakPolarHBondContact O-CB 3.32Å; Y410-K414 PolarHBondContact O-N 3.15Å
411	L	98.6	Very high	97.5	Very high	67 Å²	67	43.3 Å²	43.3	35%	0.351	27%	0.265	S	S	.	.	H	α-helix	trans	-65.3	-44.4	174.3	-74.9	171.1	0	0	0	111.8	V390 V407 D409 F413 D415	V390-L411 HydrophobicContact CG1-CD2 3.9Å; V390-L411 HydrophobicContact CG1-CG 3.94Å; V407-L411 HydrophobicContact CG1-CD1 4.18Å; V407-L411 HydrophobicContact CG1-CG 4.46Å; V407-L411 VanDerWaalsContact O-CG 3.32Å; V407-L411 WeakPolarHBondContact O-CG 3.39Å; V407-L411 PolarHBondContact O-N 3.03Å; D409-L411 VanDerWaalsContact C-N 3.31Å; D409-L411 PolarHBondContact O-N 3.44Å; L411-F413 VanDerWaalsContact C-N 3.33Å; L411-F413 PolarHBondContact O-N 2.94Å; L411-D415 WeakPolarHBondContact O-CB 3.46Å; L411-D415 PolarHBondContact O-N 3.21Å
412	K	98.6	Very high	97.8	Very high	56 Å²	56	41.5 Å²	41.5	24%	0.243	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-42.1	172.7	-63	160.3	-154.9	169.3	0	111.6	A408 D409 L416 H437 F439 T443	A408-K412 WeakPolarHBondContact O-CE 3.47Å; A408-K412 VanDerWaalsContact O-CG 3.27Å; A408-K412 WeakPolarHBondContact O-CG 3.36Å; A408-K412 PolarHBondContact O-N 3.22Å; A408-K412 VanDerWaalsContact O-N 3.17Å; D409-K412 PolarHBondContact O-N 2.93Å; D409-K412 IonicContact OD1-NZ 3.84Å; D409-K412 PolarHBondContact OD1-NZ 3.11Å; K412-L416 PolarHBondContact O-N 2.98Å; K412-L416 VanDerWaalsContact O-N 3.15Å; K412-H437 PolarHBondContact O-CE1 3.09Å; K412-H437 VanDerWaalsContact O-CE1 3.24Å; K412-F439 HydrophobicContact CB-CB 4.09Å; K412-F439 HydrophobicContact CB-CD2 4.16Å; K412-T443 VanDerWaalsContact NZ-CG2 3.32Å
413	F	98.8	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-49.3	179.5	-175.3	-128.5	0	0	0	111.7	L221 T224 L313 H317 L388 D409 Y410 L411 D415 L416 I417 F439	L221-F413 HydrophobicContact CD1-CB 4.06Å; L221-F413 HydrophobicContact CD1-CD1 3.69Å; L221-F413 HydrophobicContact CD1-CD2 4.14Å; L221-F413 HydrophobicContact CD1-CE1 4.14Å; L221-F413 HydrophobicContact CD1-CG 3.7Å; T224-F413 HydrophobicContact CG2-CE2 3.92Å; T224-F413 HydrophobicContact CG2-CZ 3.82Å; L313-F413 HydrophobicContact CB-CE2 4.19Å; L313-F413 HydrophobicContact CB-CZ 4.16Å; H317-F413 HydrophobicContact CB-CE1 4.41Å; L388-F413 HydrophobicContact CD1-CD1 4Å; L388-F413 HydrophobicContact CD1-CE1 4.37Å; L388-F413 HydrophobicContact CD2-CD1 4.02Å; L388-F413 HydrophobicContact CD2-CE1 3.69Å; D409-F413 WeakPolarHBondContact O-CB 3.42Å; D409-F413 PolarHBondContact O-N 3.44Å; Y410-F413 PolarHBondContact O-N 2.77Å; L411-F413 VanDerWaalsContact C-N 3.33Å; L411-F413 PolarHBondContact O-N 2.94Å; F413-D415 VanDerWaalsContact C-N 3.28Å; F413-D415 PolarHBondContact O-N 3.23Å; F413-L416 PolarHBondContact O-N 3.26Å; F413-I417 HydrophobicContact CD2-CD1 4.46Å; F413-I417 HydrophobicContact CD2-CG1 4.11Å; F413-I417 HydrophobicContact CE1-CG1 4.31Å; F413-I417 HydrophobicContact CE2-CD1 3.76Å; F413-I417 HydrophobicContact CE2-CG1 3.79Å; F413-I417 HydrophobicContact CG-CG1 4.49Å; F413-I417 HydrophobicContact CZ-CD1 3.96Å; F413-I417 HydrophobicContact CZ-CG1 3.9Å; F413-I417 WeakPolarHBondContact O-CG1 3.39Å; F413-I417 PolarHBondContact O-N 2.96Å; F413-F439 HydrophobicContact CB-CD2 3.9Å; F413-F439 HydrophobicContact CB-CE2 3.66Å; F413-F439 HydrophobicContact CB-CZ 4.25Å; F413-F439 HydrophobicContact CD2-CD1 4.31Å; F413-F439 HydrophobicContact CD2-CD2 4.33Å; F413-F439 AromaticContact CD2-CE1 3.74Å; F413-F439 HydrophobicContact CD2-CE1 3.74Å; F413-F439 AromaticContact CD2-CE2 3.79Å; F413-F439 HydrophobicContact CD2-CE2 3.79Å; F413-F439 AromaticContact CD2-CZ 3.46Å; F413-F439 HydrophobicContact CD2-CZ 3.46Å; F413-F439 VanDerWaalsContact CD2-CZ 3.46Å; F413-F439 HydrophobicContact CE2-CE1 4.24Å; F413-F439 HydrophobicContact CE2-CZ 4.12Å; F413-F439 HydrophobicContact CG-CE2 4.03Å; F413-F439 HydrophobicContact CG-CZ 4.11Å
414	K	98.8	Very high	98.1	Very high	52 Å²	52	34.6 Å²	34.6	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-53.4	-44	175	-176.7	-155.4	72.9	-178.3	0	111.7	L384 H385 L388 Y410 I417 L418	L384-K414 HydrophobicContact CD2-CG 4.29Å; H385-K414 HydrophobicContact CB-CD 4.14Å; L388-K414 HydrophobicContact CD1-CB 3.95Å; L388-K414 HydrophobicContact CD1-CG 4.38Å; Y410-K414 WeakPolarHBondContact O-CB 3.32Å; Y410-K414 PolarHBondContact O-N 3.15Å; K414-I417 PolarHBondContact O-N 3.14Å; K414-L418 HydrophobicContact CG-CD1 4.14Å; K414-L418 WeakPolarHBondContact O-CB 3.35Å; K414-L418 VanDerWaalsContact O-CG 3.29Å; K414-L418 WeakPolarHBondContact O-CG 3.24Å; K414-L418 PolarHBondContact O-N 3.46Å
415	D	98.8	Very high	98.3	Very high	56 Å²	56	35 Å²	35	30%	0.299	19%	0.19	S	C	.	.	H	α-helix	trans	-63	-46	178.2	-172.6	51.9	0	0	0	112.3	L411 F413 I417 L418 R419 H437	L411-D415 WeakPolarHBondContact O-CB 3.46Å; L411-D415 PolarHBondContact O-N 3.21Å; F413-D415 VanDerWaalsContact C-N 3.28Å; F413-D415 PolarHBondContact O-N 3.23Å; D415-I417 PolarHBondContact O-N 3.37Å; D415-L418 PolarHBondContact O-N 3.32Å; D415-R419 PolarHBondContact O-N 3.36Å; D415-R419 IonicContact OD1-CZ 2.8Å; D415-R419 IonicContact OD1-NH1 3.55Å; D415-R419 IonicContact OD1-NH2 3.63Å; D415-R419 PolarHBondContact OD1-NH2 2.97Å; D415-R419 IonicContact OD2-CZ 2.67Å; D415-R419 IonicContact OD2-NH1 2.71Å; D415-R419 PolarHBondContact OD2-NH1 3.31Å; D415-R419 IonicContact OD2-NH2 3.55Å; D415-R419 PolarHBondContact OD2-NH2 3.18Å; D415-H437 IonicContact OD2-CE1 3.7Å; D415-H437 IonicContact OD2-NE2 3.49Å; D415-H437 PolarHBondContact OD2-NE2 2.76Å
416	L	98.9	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-48.1	175.5	-177.9	58	0	0	0	111.9	K412 F413 L418 R419 M420 I429 A434 H437 F439 F440	K412-L416 PolarHBondContact O-N 2.98Å; K412-L416 VanDerWaalsContact O-N 3.15Å; F413-L416 PolarHBondContact O-N 3.26Å; L416-L418 VanDerWaalsContact C-N 3.34Å; L416-L418 PolarHBondContact O-N 3.03Å; L416-R419 PolarHBondContact O-N 3.5Å; L416-M420 HydrophobicContact CD1-CE 3.98Å; L416-M420 HydrophobicContact CD2-CE 4.1Å; L416-M420 HydrophobicContact CG-CE 3.9Å; L416-M420 HydrophobicContact CG-SD 4.2Å; L416-M420 WeakPolarHBondContact O-CG 3.38Å; L416-M420 PolarHBondContact O-N 3.15Å; L416-I429 HydrophobicContact CD1-CD1 4.19Å; L416-A434 HydrophobicContact CD1-CB 4.34Å; L416-H437 HydrophobicContact CD1-CB 4.01Å; L416-F439 HydrophobicContact CD2-CB 4.19Å; L416-F439 HydrophobicContact CD2-CD1 3.63Å; L416-F439 HydrophobicContact CD2-CE1 4.44Å; L416-F439 HydrophobicContact CD2-CG 4.26Å; L416-F440 HydrophobicContact CD2-CE2 3.83Å; L416-F440 HydrophobicContact CD2-CZ 3.98Å
417	I	98.9	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-40.1	-180	-63.8	-58.4	0	0	0	111.4	L313 V314 L384 F413 K414 D415 R419 M420 L421	L313-I417 HydrophobicContact CB-CD1 3.76Å; L313-I417 HydrophobicContact CD1-CD1 4.23Å; V314-I417 HydrophobicContact CG2-CB 4.43Å; V314-I417 HydrophobicContact CG2-CD1 4.13Å; V314-I417 HydrophobicContact CG2-CG1 4.01Å; V314-I417 HydrophobicContact CG2-CG2 3.62Å; L384-I417 HydrophobicContact CD2-CB 4.1Å; L384-I417 HydrophobicContact CD2-CG2 3.63Å; F413-I417 HydrophobicContact CD2-CD1 4.46Å; F413-I417 HydrophobicContact CD2-CG1 4.11Å; F413-I417 HydrophobicContact CE1-CG1 4.31Å; F413-I417 HydrophobicContact CE2-CD1 3.76Å; F413-I417 HydrophobicContact CE2-CG1 3.79Å; F413-I417 HydrophobicContact CG-CG1 4.49Å; F413-I417 HydrophobicContact CZ-CD1 3.96Å; F413-I417 HydrophobicContact CZ-CG1 3.9Å; F413-I417 WeakPolarHBondContact O-CG1 3.39Å; F413-I417 PolarHBondContact O-N 2.96Å; K414-I417 PolarHBondContact O-N 3.14Å; D415-I417 PolarHBondContact O-N 3.37Å; I417-R419 VanDerWaalsContact C-N 3.32Å; I417-R419 PolarHBondContact O-N 3.44Å; I417-M420 HydrophobicContact CD1-SD 4.09Å; I417-M420 PolarHBondContact O-N 2.99Å; I417-L421 HydrophobicContact CG2-CD1 3.7Å; I417-L421 HydrophobicContact CG2-CG 4.21Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 WeakPolarHBondContact O-CG 3.48Å; I417-L421 PolarHBondContact O-N 3.24Å
418	L	98.9	Very high	98.5	Very high	74 Å²	74	41 Å²	41	39%	0.387	21%	0.21	S	C	.	.	H	α-helix	trans	-64.4	-34.4	177.5	-73.2	171.4	0	0	0	112.6	L339 L384 K414 D415 L416 L421 D422	L339-L418 HydrophobicContact CD2-CD2 4.26Å; L384-L418 HydrophobicContact CD2-CD2 3.87Å; L384-L418 HydrophobicContact CD2-CG 3.92Å; K414-L418 HydrophobicContact CG-CD1 4.14Å; K414-L418 WeakPolarHBondContact O-CB 3.35Å; K414-L418 VanDerWaalsContact O-CG 3.29Å; K414-L418 WeakPolarHBondContact O-CG 3.24Å; K414-L418 PolarHBondContact O-N 3.46Å; D415-L418 PolarHBondContact O-N 3.32Å; L416-L418 VanDerWaalsContact C-N 3.34Å; L416-L418 PolarHBondContact O-N 3.03Å; L418-L421 CarbonylContact O-C 3.34Å; L418-L421 PolarHBondContact O-N 3.05Å; L418-D422 PolarHBondContact O-N 3.27Å
419	R	98.9	Very high	98.6	Very high	107 Å²	107	39.2 Å²	39.2	40%	0.404	19%	0.193	S	C	.	.	H	α-helix	trans	-77.7	-24.1	173.3	-56.7	-165	-169.5	96.1	14.2	113.7	D415 L416 I417 L421 R428 I429 H437	D415-R419 PolarHBondContact O-N 3.36Å; D415-R419 IonicContact OD1-CZ 2.8Å; D415-R419 IonicContact OD1-NH1 3.55Å; D415-R419 IonicContact OD1-NH2 3.63Å; D415-R419 PolarHBondContact OD1-NH2 2.97Å; D415-R419 IonicContact OD2-CZ 2.67Å; D415-R419 IonicContact OD2-NH1 2.71Å; D415-R419 PolarHBondContact OD2-NH1 3.31Å; D415-R419 IonicContact OD2-NH2 3.55Å; D415-R419 PolarHBondContact OD2-NH2 3.18Å; L416-R419 PolarHBondContact O-N 3.5Å; I417-R419 VanDerWaalsContact C-N 3.32Å; I417-R419 PolarHBondContact O-N 3.44Å; R419-L421 VanDerWaalsContact C-N 3.34Å; R419-R428 WeakPolarHBondContact O-CG 3.36Å; R419-I429 HydrophobicContact CB-CB 3.84Å; R419-I429 HydrophobicContact CB-CD1 4.39Å; R419-I429 HydrophobicContact CB-CG2 3.91Å; R419-I429 WeakPolarHBondContact O-CG2 3.47Å; R419-I429 PolarHBondContact O-N 3.14Å; R419-H437 PolarHBondContact NH1-CD2 3.03Å; R419-H437 PolarHBondContact NH1-NE2 3.49Å
420	M	98.9	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-72.4	-29.4	168.6	-71	175.7	166.2	0	0	112.2	M306 W307 L309 L313 L416 I417 R428 I429	M306-M420 HydrophobicContact CE-CE 3.82Å; M306-M420 HydrophobicContact CE-CG 4.04Å; W307-M420 WeakPolarHBondContact CA-O 3.15Å; L309-M420 HydrophobicContact CD2-CE 3.77Å; L309-M420 HydrophobicContact CG-CE 4.07Å; L309-M420 HydrophobicContact CG-SD 4.3Å; L313-M420 HydrophobicContact CD1-CE 4.02Å; L313-M420 HydrophobicContact CD1-SD 3.99Å; L416-M420 HydrophobicContact CD1-CE 3.98Å; L416-M420 HydrophobicContact CD2-CE 4.1Å; L416-M420 HydrophobicContact CG-CE 3.9Å; L416-M420 HydrophobicContact CG-SD 4.2Å; L416-M420 WeakPolarHBondContact O-CG 3.38Å; L416-M420 PolarHBondContact O-N 3.15Å; I417-M420 HydrophobicContact CD1-SD 4.09Å; I417-M420 PolarHBondContact O-N 2.99Å; M420-R428 VanDerWaalsContact O-CD 3.25Å; M420-R428 WeakPolarHBondContact O-CD 3.21Å; M420-R428 WeakPolarHBondContact O-CG 3.21Å; M420-I429 HydrophobicContact CB-CG2 4.46Å; M420-I429 HydrophobicContact CG-CG2 3.76Å
421	L	98.9	Very high	98.6	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	28.8	-179.9	-59.8	180	0	0	0	112.9	W307 L322 F323 L339 I417 L418 R419	W307-L421 HydrophobicContact CD2-CD2 3.71Å; W307-L421 HydrophobicContact CE3-CB 4.27Å; W307-L421 HydrophobicContact CE3-CD2 3.83Å; W307-L421 HydrophobicContact CG-CD2 4.22Å; W307-L421 HydrophobicContact CH2-CB 4.48Å; W307-L421 HydrophobicContact CH2-CD2 4.29Å; W307-L421 HydrophobicContact CZ2-CD2 4.19Å; W307-L421 HydrophobicContact CZ3-CB 4.02Å; W307-L421 HydrophobicContact CZ3-CD2 4.13Å; W307-L421 WeakPolarHBondContact CZ3-O 3.49Å; L322-L421 HydrophobicContact CD2-CD1 3.61Å; F323-L421 HydrophobicContact CE2-CD1 4.17Å; F323-L421 HydrophobicContact CE2-CD2 4.33Å; F323-L421 HydrophobicContact CZ-CD1 4.24Å; L339-L421 HydrophobicContact CD1-CB 4.22Å; L339-L421 WeakPolarHBondContact CD1-O 3.49Å; I417-L421 HydrophobicContact CG2-CD1 3.7Å; I417-L421 HydrophobicContact CG2-CG 4.21Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 WeakPolarHBondContact O-CG 3.48Å; I417-L421 PolarHBondContact O-N 3.24Å; L418-L421 CarbonylContact O-C 3.34Å; L418-L421 PolarHBondContact O-N 3.05Å; R419-L421 VanDerWaalsContact C-N 3.34Å
422	D	98.8	Very high	98.6	Very high	50 Å²	50	47.5 Å²	47.5	27%	0.267	23%	0.226	S	C	.	.			trans	-64.2	138.5	169.3	-164.6	-18.3	0	0	0	110	L418 D424 S427 R428	L418-D422 PolarHBondContact O-N 3.27Å; D422-D424 PolarHBondContact OD1-N 3.17Å; D422-D424 VanDerWaalsContact OD1-N 3.11Å; D422-S427 WeakPolarHBondContact OD2-CB 3.06Å; D422-S427 PolarHBondContact OD2-OG 3.48Å; D422-R428 HydrophobicContact CB-CB 3.97Å; D422-R428 HydrophobicContact CB-CG 4.24Å; D422-R428 VanDerWaalsContact O-CZ 3.3Å; D422-R428 PolarHBondContact O-NE 3.21Å; D422-R428 PolarHBondContact O-NH2 3.01Å
423	Y	98.6	Very high	98.6	Very high	17 Å²	17	51 Å²	51	7%	0.067	24%	0.239	C	C	.	.	S	Bend	trans	-67.9	-36.8	176.4	-87.1	-59.2	0	0	0	112.1	P292 I335 L339 G340 P342 I346 P425	P292-Y423 HydrophobicContact CB-CD1 3.83Å; P292-Y423 HydrophobicContact CB-CE1 4.15Å; P292-Y423 HydrophobicContact CG-CD1 3.61Å; P292-Y423 HydrophobicContact CG-CE1 3.89Å; I335-Y423 HydrophobicContact CG2-CE1 3.89Å; L339-Y423 HydrophobicContact CB-CE2 3.68Å; L339-Y423 HydrophobicContact CD1-CE2 4.42Å; G340-Y423 PolarHBondContact O-OH 2.86Å; P342-Y423 HydrophobicContact CB-CD1 3.91Å; P342-Y423 HydrophobicContact CB-CD2 4.38Å; P342-Y423 HydrophobicContact CB-CE1 3.98Å; P342-Y423 HydrophobicContact CB-CE2 4.39Å; P342-Y423 HydrophobicContact CB-CG 4.13Å; P342-Y423 HydrophobicContact CG-CD1 4.11Å; P342-Y423 HydrophobicContact CG-CE1 3.67Å; P342-Y423 HydrophobicContact CG-CE2 4.42Å; I346-Y423 WeakPolarHBondContact CD1-O 3.48Å; Y423-P425 WeakPolarHBondContact O-CD 3.17Å
424	D	98.4	Very high	98.6	Very high	25 Å²	25	51 Å²	51	13%	0.134	24%	0.239	C	C	.	.	S	Bend	trans	-86.2	116.9	177.6	-162.3	-38.7	0	0	0	110	H345 I346 D422 K426 S427 R428	H345-D424 IonicContact CD2-OD2 3.89Å; H345-D424 IonicContact CE1-OD2 2.94Å; H345-D424 IonicContact NE2-OD2 2.62Å; H345-D424 PolarHBondContact NE2-OD2 2.66Å; I346-D424 HydrophobicContact CD1-CB 3.85Å; D422-D424 PolarHBondContact OD1-N 3.17Å; D422-D424 VanDerWaalsContact OD1-N 3.11Å; D424-K426 PolarHBondContact O-N 3.17Å; D424-K426 VanDerWaalsContact O-N 3.09Å; D424-K426 VanDerWaalsContact OD1-CB 3.24Å; D424-K426 WeakPolarHBondContact OD1-CB 3.47Å; D424-K426 WeakPolarHBondContact OD1-CG 3.1Å; D424-K426 PolarHBondContact OD1-N 2.9Å; D424-S427 PolarHBondContact O-N 2.85Å; D424-R428 PolarHBondContact O-N 3.39Å
425	P	98.2	Very high	98.6	Very high	26 Å²	26	50.7 Å²	50.7	17%	0.169	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.9	177.9	25.9	-34.5	0	0	0	113.3	E293 A303 Y423	E293-P425 HydrophobicContact CG-CG 4.48Å; A303-P425 HydrophobicContact CB-CB 3.7Å; Y423-P425 WeakPolarHBondContact O-CD 3.17Å
426	K	97.5	Very high	98.6	Very high	180 Å²	180	53 Å²	53	78%	0.783	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-30.2	178	-59.8	172.7	-179.4	176.2	0	113.9	D424	D424-K426 PolarHBondContact O-N 3.17Å; D424-K426 VanDerWaalsContact O-N 3.09Å; D424-K426 VanDerWaalsContact OD1-CB 3.24Å; D424-K426 WeakPolarHBondContact OD1-CB 3.47Å; D424-K426 WeakPolarHBondContact OD1-CG 3.1Å; D424-K426 PolarHBondContact OD1-N 2.9Å
427	S	98.2	Very high	98.5	Very high	74 Å²	74	53.6 Å²	53.6	52%	0.517	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-14.5	177.2	51.9	0	0	0	0	113.6	D422 D424 I429	D422-S427 WeakPolarHBondContact OD2-CB 3.06Å; D422-S427 PolarHBondContact OD2-OG 3.48Å; D424-S427 PolarHBondContact O-N 2.85Å; S427-I429 PolarHBondContact O-N 3.27Å
428	R	98.8	Very high	98.5	Very high	6 Å²	6	56.4 Å²	56.4	2%	0.023	27%	0.27	C	S	.	.	S	Bend	trans	-51.2	133.5	169.8	-164.2	179.1	-62.8	149.8	7	111.1	E293 A303 R419 M420 D422 D424 Q430	E293-R428 IonicContact OE1-CZ 3.57Å; E293-R428 IonicContact OE1-NH1 2.99Å; E293-R428 PolarHBondContact OE1-NH1 2.87Å; E293-R428 IonicContact OE1-NH2 2.68Å; E293-R428 PolarHBondContact OE1-NH2 2.99Å; E293-R428 IonicContact OE2-CZ 3.81Å; E293-R428 IonicContact OE2-NH1 2.82Å; E293-R428 IonicContact OE2-NH2 2.89Å; E293-R428 PolarHBondContact OE2-NH2 2.99Å; A303-R428 WeakPolarHBondContact O-CD 3.43Å; A303-R428 PolarHBondContact O-NH1 3.48Å; R419-R428 WeakPolarHBondContact O-CG 3.36Å; M420-R428 VanDerWaalsContact O-CD 3.25Å; M420-R428 WeakPolarHBondContact O-CD 3.21Å; M420-R428 WeakPolarHBondContact O-CG 3.21Å; D422-R428 HydrophobicContact CB-CB 3.97Å; D422-R428 HydrophobicContact CB-CG 4.24Å; D422-R428 VanDerWaalsContact O-CZ 3.3Å; D422-R428 PolarHBondContact O-NE 3.21Å; D422-R428 PolarHBondContact O-NH2 3.01Å; D424-R428 PolarHBondContact O-N 3.39Å; R428-Q430 PolarHBondContact O-N 3.34Å
429	I	98.8	Very high	98.4	Very high	16 Å²	16	53 Å²	53	8%	0.082	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-62.6	124.9	-171.4	-165.1	170	0	0	0	111.8	M306 L416 R419 M420 S427 A434	M306-I429 HydrophobicContact CE-CG2 4.14Å; M306-I429 WeakPolarHBondContact CE-O 3.24Å; M306-I429 WeakPolarHBondContact CG-O 3.28Å; L416-I429 HydrophobicContact CD1-CD1 4.19Å; R419-I429 HydrophobicContact CB-CB 3.84Å; R419-I429 HydrophobicContact CB-CD1 4.39Å; R419-I429 HydrophobicContact CB-CG2 3.91Å; R419-I429 WeakPolarHBondContact O-CG2 3.47Å; R419-I429 PolarHBondContact O-N 3.14Å; M420-I429 HydrophobicContact CB-CG2 4.46Å; M420-I429 HydrophobicContact CG-CG2 3.76Å; S427-I429 PolarHBondContact O-N 3.27Å; I429-A434 HydrophobicContact CD1-CB 4.16Å; I429-A434 HydrophobicContact CG1-CB 4.23Å; I429-A434 HydrophobicContact CG2-CB 4.47Å
430	Q	98.7	Very high	98.3	Very high	115 Å²	115	49.2 Å²	49.2	54%	0.537	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-78	155.6	175.8	-63.5	178.9	-11.5	0	0	111.3	R428 Y432 Y433 A434	R428-Q430 PolarHBondContact O-N 3.34Å; Q430-Y432 VanDerWaalsContact C-N 3.27Å; Q430-Y432 PolarHBondContact O-N 2.96Å; Q430-Y432 VanDerWaalsContact O-N 3.14Å; Q430-Y433 HydrophobicContact CB-CD2 4.15Å; Q430-Y433 PolarHBondContact O-N 3.1Å; Q430-Y433 VanDerWaalsContact O-N 3.15Å; Q430-A434 PolarHBondContact O-N 3.48Å
431	P	98.6	Very high	97.7	Very high	15 Å²	15	55.6 Å²	55.6	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-52.6	-39	-175.3	-27.6	33.2	0	0	0	115	C232 L235 L236 M306 A434 L435	C232-P431 WeakPolarHBondContact O-CB 3.5Å; L235-P431 HydrophobicContact CB-CB 4.16Å; L235-P431 HydrophobicContact CB-CG 3.69Å; L236-P431 HydrophobicContact CB-CB 3.81Å; L236-P431 HydrophobicContact CD1-CB 4.43Å; M306-P431 HydrophobicContact CG-CG 4.32Å; M306-P431 HydrophobicContact SD-CB 4.38Å; M306-P431 HydrophobicContact SD-CG 3.73Å; P431-A434 WeakPolarHBondContact O-CB 3.32Å; P431-A434 PolarHBondContact O-N 3.15Å; P431-L435 WeakPolarHBondContact O-CG 3.39Å; P431-L435 PolarHBondContact O-N 3.5Å
432	Y	98.3	Very high	96.1	Very high	124 Å²	124	65 Å²	65	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-58.7	-53.3	177.3	176.6	-96.7	0	0	0	112.4	Q430 A434 L435 Q436	Q430-Y432 VanDerWaalsContact C-N 3.27Å; Q430-Y432 PolarHBondContact O-N 2.96Å; Q430-Y432 VanDerWaalsContact O-N 3.14Å; Y432-A434 VanDerWaalsContact C-N 3.31Å; Y432-A434 PolarHBondContact O-N 3.2Å; Y432-L435 PolarHBondContact O-N 3.21Å; Y432-Q436 VanDerWaalsContact CE1-NE2 3.27Å; Y432-Q436 PolarHBondContact O-N 2.88Å; Y432-Q436 PolarHBondContact OH-NE2 3.09Å; Y432-Q436 VanDerWaalsContact OH-NE2 3.12Å
433	Y	98.5	Very high	94.1	Very high	131 Å²	131	64 Å²	64	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-69.9	-29.5	178.1	-58.8	-63.8	0	0	0	112.2	Q430 Q436 H437	Q430-Y433 HydrophobicContact CB-CD2 4.15Å; Q430-Y433 PolarHBondContact O-N 3.1Å; Q430-Y433 VanDerWaalsContact O-N 3.15Å; Y433-Q436 PolarHBondContact O-N 3.35Å; Y433-H437 PolarHBondContact O-N 2.89Å
434	A	98.6	Very high	91.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-45.5	173.8	0	0	0	0	0	111.3	M306 L416 I429 Q430 P431 Y432 Q436 H437 F440	M306-A434 HydrophobicContact CE-CB 4.02Å; L416-A434 HydrophobicContact CD1-CB 4.34Å; I429-A434 HydrophobicContact CD1-CB 4.16Å; I429-A434 HydrophobicContact CG1-CB 4.23Å; I429-A434 HydrophobicContact CG2-CB 4.47Å; Q430-A434 PolarHBondContact O-N 3.48Å; P431-A434 WeakPolarHBondContact O-CB 3.32Å; P431-A434 PolarHBondContact O-N 3.15Å; Y432-A434 VanDerWaalsContact C-N 3.31Å; Y432-A434 PolarHBondContact O-N 3.2Å; A434-Q436 PolarHBondContact O-N 2.77Å; A434-H437 WeakPolarHBondContact O-CB 3.39Å; A434-H437 PolarHBondContact O-N 3.47Å; A434-F440 WeakPolarHBondContact O-CD2 3.38Å; A434-F440 WeakPolarHBondContact O-CE2 3.49Å
435	L	98.3	Very high	89.5	Confident	44 Å²	44	74.1 Å²	74.1	23%	0.23	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-28.3	177.3	-72.5	168.1	0	0	0	113.7	Q229 C232 L236 P431 Y432 H437	Q229-L435 HydrophobicContact CG-CD2 4.07Å; C232-L435 HydrophobicContact CB-CD2 3.62Å; C232-L435 HydrophobicContact CB-CG 3.76Å; L236-L435 HydrophobicContact CD2-CD1 3.81Å; P431-L435 WeakPolarHBondContact O-CG 3.39Å; P431-L435 PolarHBondContact O-N 3.5Å; Y432-L435 PolarHBondContact O-N 3.21Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.29Å
436	Q	98.1	Very high	87.2	Confident	104 Å²	104	76.6 Å²	76.6	49%	0.486	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.5	176.5	-64.2	-179.4	-2.9	0	0	113.7	Y432 Y433 A434	Y432-Q436 VanDerWaalsContact CE1-NE2 3.27Å; Y432-Q436 PolarHBondContact O-N 2.88Å; Y432-Q436 PolarHBondContact OH-NE2 3.09Å; Y432-Q436 VanDerWaalsContact OH-NE2 3.12Å; Y433-Q436 PolarHBondContact O-N 3.35Å; A434-Q436 PolarHBondContact O-N 2.77Å
437	H	98.4	Very high	84.6	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.065	38%	0.381	C	S	.	.	S	Bend	trans	-63.1	145.6	-172.7	-165.3	-98.8	0	0	0	113.3	K412 D415 L416 R419 Y433 A434 L435 F439 F440	K412-H437 PolarHBondContact O-CE1 3.09Å; K412-H437 VanDerWaalsContact O-CE1 3.24Å; D415-H437 IonicContact OD2-CE1 3.7Å; D415-H437 IonicContact OD2-NE2 3.49Å; D415-H437 PolarHBondContact OD2-NE2 2.76Å; L416-H437 HydrophobicContact CD1-CB 4.01Å; R419-H437 PolarHBondContact NH1-CD2 3.03Å; R419-H437 PolarHBondContact NH1-NE2 3.49Å; Y433-H437 PolarHBondContact O-N 2.89Å; A434-H437 WeakPolarHBondContact O-CB 3.39Å; A434-H437 PolarHBondContact O-N 3.47Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.29Å; H437-F439 WeakPolarHBondContact ND1-CB 3.32Å; H437-F439 PolarHBondContact ND1-N 3.12Å; H437-F439 VanDerWaalsContact ND1-N 3.17Å; H437-F439 PolarHBondContact O-N 2.69Å; H437-F440 HydrophobicContact CB-CD2 4.18Å; H437-F440 PolarHBondContact O-N 2.86Å
438	S	97.4	Very high	82	Confident	58 Å²	58	73 Å²	73	41%	0.406	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12	179.3	-63.2	0	0	0	0	114.8	F440	S438-F440 VanDerWaalsContact C-N 3.32Å
439	F	97.8	Very high	79.1	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.009	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.2	170.9	-178.8	-117.1	0	0	0	113.6	L221 R225 A228 K412 F413 L416 H437	L221-F439 HydrophobicContact CD1-CE2 3.87Å; L221-F439 HydrophobicContact CD1-CZ 3.89Å; L221-F439 HydrophobicContact CD2-CE2 4.45Å; L221-F439 HydrophobicContact CG-CE2 4.07Å; L221-F439 HydrophobicContact CG-CZ 4.34Å; R225-F439 HydrophobicContact CB-CE1 3.83Å; R225-F439 HydrophobicContact CB-CZ 3.73Å; R225-F439 WeakPolarHBondContact CD-O 3.27Å; R225-F439 HydrophobicContact CG-CD1 4.22Å; R225-F439 HydrophobicContact CG-CE1 3.84Å; R225-F439 HydrophobicContact CG-CZ 4.04Å; R225-F439 PolarHBondContact NE-O 2.89Å; A228-F439 HydrophobicContact CB-CE1 4.41Å; K412-F439 HydrophobicContact CB-CB 4.09Å; K412-F439 HydrophobicContact CB-CD2 4.16Å; F413-F439 HydrophobicContact CB-CD2 3.9Å; F413-F439 HydrophobicContact CB-CE2 3.66Å; F413-F439 HydrophobicContact CB-CZ 4.25Å; F413-F439 HydrophobicContact CD2-CD1 4.31Å; F413-F439 HydrophobicContact CD2-CD2 4.33Å; F413-F439 AromaticContact CD2-CE1 3.74Å; F413-F439 HydrophobicContact CD2-CE1 3.74Å; F413-F439 AromaticContact CD2-CE2 3.79Å; F413-F439 HydrophobicContact CD2-CE2 3.79Å; F413-F439 AromaticContact CD2-CZ 3.46Å; F413-F439 HydrophobicContact CD2-CZ 3.46Å; F413-F439 VanDerWaalsContact CD2-CZ 3.46Å; F413-F439 HydrophobicContact CE2-CE1 4.24Å; F413-F439 HydrophobicContact CE2-CZ 4.12Å; F413-F439 HydrophobicContact CG-CE2 4.03Å; F413-F439 HydrophobicContact CG-CZ 4.11Å; L416-F439 HydrophobicContact CD2-CB 4.19Å; L416-F439 HydrophobicContact CD2-CD1 3.63Å; L416-F439 HydrophobicContact CD2-CE1 4.44Å; L416-F439 HydrophobicContact CD2-CG 4.26Å; H437-F439 WeakPolarHBondContact ND1-CB 3.32Å; H437-F439 PolarHBondContact ND1-N 3.12Å; H437-F439 VanDerWaalsContact ND1-N 3.17Å; H437-F439 PolarHBondContact O-N 2.69Å
440	F	96.2	Very high	76.3	Confident	29 Å²	29	85.6 Å²	85.6	13%	0.127	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-12.2	177.4	-61	-63.8	0	0	0	113.6	R225 A228 Q229 L416 A434 H437 S438 K442	R225-F440 HydrophobicContact CG-CD1 3.9Å; R225-F440 HydrophobicContact CG-CE1 4.17Å; R225-F440 WeakPolarHBondContact O-CE1 3.33Å; A228-F440 HydrophobicContact CB-CE1 3.81Å; A228-F440 HydrophobicContact CB-CZ 3.73Å; Q229-F440 HydrophobicContact CB-CD1 3.89Å; Q229-F440 HydrophobicContact CB-CE1 3.66Å; Q229-F440 HydrophobicContact CB-CZ 4.46Å; Q229-F440 HydrophobicContact CG-CD1 4.24Å; Q229-F440 HydrophobicContact CG-CE1 4.39Å; L416-F440 HydrophobicContact CD2-CE2 3.83Å; L416-F440 HydrophobicContact CD2-CZ 3.98Å; A434-F440 WeakPolarHBondContact O-CD2 3.38Å; A434-F440 WeakPolarHBondContact O-CE2 3.49Å; H437-F440 HydrophobicContact CB-CD2 4.18Å; H437-F440 PolarHBondContact O-N 2.86Å; S438-F440 VanDerWaalsContact C-N 3.32Å; F440-K442 PolarHBondContact O-N 2.88Å
441	K	87.3	Confident	73.3	Confident	133 Å²	133	85.8 Å²	85.8	58%	0.578	47%	0.474	S	S	*	.	S	Bend	trans	-66.7	132.2	172.5	-65.7	-178.9	-176.3	174.6	0	109.2	T443	K441-T443 PolarHBondContact O-N 3.24Å
442	K	65.3	Low	70.3	Confident	202 Å²	202	90.1 Å²	90.1	88%	0.878	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-56.3	126.8	175.5	-66.6	-174.8	178.7	-176.2	0	109.8	F440	F440-K442 PolarHBondContact O-N 2.88Å
443	T	57.1	Low	67.2	Low	29 Å²	29	89.4 Å²	89.4	18%	0.178	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-67.3	140.7	160	32.5	0	0	0	0	108.7	D409 K412 K441 D445 E446	D409-T443 WeakPolarHBondContact OD1-CG2 3.36Å; K412-T443 VanDerWaalsContact NZ-CG2 3.32Å; K441-T443 PolarHBondContact O-N 3.24Å; T443-D445 PolarHBondContact O-N 2.82Å; T443-E446 PolarHBondContact O-N 3.32Å
444	A	49.2	Very low	64.3	Low	103 Å²	103	88.7 Å²	88.7	85%	0.851	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27	-174.4	0	0	0	0	0	112.7
445	D	49.3	Very low	61.3	Low	152 Å²	152	93.7 Å²	93.7	81%	0.813	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-8.5	-174.4	-42.4	-71.7	0	0	0	114.2	T443 G447	T443-D445 PolarHBondContact O-N 2.82Å; D445-G447 PolarHBondContact O-N 3.42Å
446	E	51.7	Low	58.2	Low	78 Å²	78	97.4 Å²	97.4	36%	0.364	59%	0.586	S	S	.	*			trans	-79.9	53.6	178.3	-73.1	-163.2	158.9	0	0	112.9	N222 R225 T443 T448	N222-E446 PolarHBondContact ND2-OE1 3.26Å; N222-E446 PolarHBondContact OD1-OE1 2.7Å; R225-E446 IonicContact NH1-OE1 2.7Å; R225-E446 IonicContact NH1-OE2 3.32Å; T443-E446 PolarHBondContact O-N 3.32Å; E446-T448 PolarHBondContact O-N 3.47Å
447	G	42.2	Very low	55	Low	74 Å²	74	97.7 Å²	97.7	76%	0.763	60%	0.599	S	S	*	*			trans	-69.7	39.5	167.7	0	0	0	0	0	114	D445	D445-G447 PolarHBondContact O-N 3.42Å
448	T	42.8	Very low	52.1	Low	103 Å²	103	102.7 Å²	102.7	63%	0.632	63%	0.633	S	S	*	*			trans	-92	129.8	178.8	47.7	0	0	0	0	111.9	E446 T450	E446-T448 PolarHBondContact O-N 3.47Å; T448-T450 PolarHBondContact O-N 2.99Å
449	N	38.8	Very low	49	Very low	170 Å²	170	104.2 Å²	104.2	91%	0.909	65%	0.649	S	S	*	*			trans	-67.6	85.3	-175.4	-70.2	-40.3	0	0	0	113.8
450	T	40.6	Very low	46.1	Very low	117 Å²	117	111.8 Å²	111.8	72%	0.718	69%	0.689	S	S	*	*			trans	-115	109	149.5	55.7	0	0	0	0	108.5	T448	T448-T450 PolarHBondContact O-N 2.99Å
451	S	35	Very low	43	Very low	120 Å²	120	119.7 Å²	119.7	84%	0.839	73%	0.726	S	S	*	*			trans	-59.3	151.6	177.5	41.1	0	0	0	0	111.8	S453	S451-S453 PolarHBondContact O-N 3.17Å
452	S	36.1	Very low	40.5	Very low	106 Å²	106	120.7 Å²	120.7	74%	0.741	73%	0.733	S	S	*	*			trans	-71.1	108.1	-167.8	52.5	0	0	0	0	113.8	V454	S452-V454 PolarHBondContact O-N 2.9Å
453	S	33.1	Very low	38.9	Very low	109 Å²	109	116.9 Å²	116.9	76%	0.762	73%	0.731	S	S	*	*			trans	-84.7	94	148.7	58	0	0	0	0	108.3	S451 S455	S451-S453 PolarHBondContact O-N 3.17Å; S453-S455 PolarHBondContact O-N 2.93Å; S453-S455 VanDerWaalsContact O-N 3.14Å
454	V	37.7	Very low	37.8	Very low	115 Å²	115	123.7 Å²	123.7	70%	0.697	76%	0.761	S	S	*	*			trans	-76.2	97.8	179	-174.3	0	0	0	0	109.2	S452 T456	S452-V454 PolarHBondContact O-N 2.9Å; V454-T456 PolarHBondContact O-N 3.47Å
455	S	34.1	Very low	37	Very low	105 Å²	105	124.5 Å²	124.5	73%	0.734	76%	0.761	S	S	*	*			trans	-73	110	165.8	-62	0	0	0	0	108.7	S453 S457	S453-S455 PolarHBondContact O-N 2.93Å; S453-S455 VanDerWaalsContact O-N 3.14Å; S455-S457 PolarHBondContact O-N 3.26Å
456	T	34.1	Very low	36.4	Very low	123 Å²	123	123.1 Å²	123.1	76%	0.755	76%	0.763	S	S	*	*			trans	-69.3	111.4	173.2	36.3	0	0	0	0	110.4	V454	V454-T456 PolarHBondContact O-N 3.47Å
457	S	30.6	Very low	35.4	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-71.2	125.8	161.7	-59.3	0	0	0	0	108.7	S455 A459	S455-S457 PolarHBondContact O-N 3.26Å; S457-A459 PolarHBondContact O-N 3.17Å
458	P	38	Very low	35	Very low	119 Å²	119	125.6 Å²	125.6	77%	0.773	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.2	121	169.1	27.6	-32	0	0	0	108.8
459	A	32.8	Very low	34.5	Very low	89 Å²	89	126.5 Å²	126.5	74%	0.736	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-76	150.7	171.1	0	0	0	0	0	110	S457 E461	S457-A459 PolarHBondContact O-N 3.17Å; A459-E461 PolarHBondContact O-N 2.88Å; A459-E461 VanDerWaalsContact O-N 3.11Å
460	L	37	Very low	34.3	Very low	162 Å²	162	123.3 Å²	123.3	85%	0.848	78%	0.78	S	S	*	*			trans	-74.4	97.6	-179.8	-172.9	74.4	0	0	0	110	Q462	L460-Q462 PolarHBondContact O-N 3.49Å; L460-Q462 VanDerWaalsContact O-N 3.11Å
461	E	30.9	Very low	34.1	Very low	194 Å²	194	122.7 Å²	122.7	91%	0.907	78%	0.78	S	S	*	*			trans	-70.3	104.9	171.5	-73.6	-163.7	147.2	0	0	110.3	A459	A459-E461 PolarHBondContact O-N 2.88Å; A459-E461 VanDerWaalsContact O-N 3.11Å
462	Q	33.6	Very low	34	Very low	155 Å²	155	122.6 Å²	122.6	72%	0.724	78%	0.775	S	S	*	*			trans	-92.7	105.7	177.9	-166.9	170.1	29.3	0	0	109.7	L460 Q464	L460-Q462 PolarHBondContact O-N 3.49Å; L460-Q462 VanDerWaalsContact O-N 3.11Å; Q462-Q464 PolarHBondContact O-N 3.38Å
463	S	32.7	Very low	34	Very low	121 Å²	121	122.6 Å²	122.6	85%	0.846	78%	0.775	S	S	*	*			trans	-66.5	121	179.3	49.2	0	0	0	0	111.9
464	Q	33.8	Very low	34.2	Very low	172 Å²	172	122.7 Å²	122.7	80%	0.804	78%	0.775	S	S	*	*			trans	-130.5	125.5	163.5	-69.4	-165.2	2.6	0	0	109.9	Q462	Q462-Q464 PolarHBondContact O-N 3.38Å
465	S	33.2	Very low	34.1	Very low	121 Å²	121	122.6 Å²	122.6	85%	0.846	78%	0.78	S	S	*	*			trans	-122.8	100.5	-174.4	57.7	0	0	0	0	111
466	S	35.3	Very low	34.3	Very low	122 Å²	122	123.5 Å²	123.5	85%	0.853	79%	0.786	S	S	*	*			trans	-166.4	134.1	165.7	53.7	0	0	0	0	109.6
467	G	31	Very low	34.3	Very low	72 Å²	72	121.5 Å²	121.5	74%	0.742	79%	0.79	S	S	*	*			trans	-161.7	159.1	173.7	0	0	0	0	0	111.8
468	T	33	Very low	34.3	Very low	132 Å²	132	120.1 Å²	120.1	81%	0.81	79%	0.794	S	S	*	*			trans	-161.1	146.6	171.9	14.2	0	0	0	0	113
469	T	33.4	Very low	34.1	Very low	123 Å²	123	119.9 Å²	119.9	76%	0.755	80%	0.795	S	S	*	*			trans	69.3	136.6	148	50.8	0	0	0	0	123.3
470	S	35.2	Very low	34.3	Very low	102 Å²	102	121.7 Å²	121.7	71%	0.713	80%	0.802	S	S	*	*			trans	62.5	118.5	155.8	40.9	0	0	0	0	119
471	S	35.7	Very low	34	Very low	105 Å²	105	117 Å²	117	73%	0.734	79%	0.792	S	S	*	*				75.9	135.5	51.8	81.2	0	0	0	0	113.3
472	T	33.3	Very low	34.1	Very low	117 Å²	117	114.5 Å²	114.5	72%	0.718	79%	0.791	S	S	*	*			cis	-150.5	178.9	23.6	49	0	0	0	0	113.2
473	S	35.8	Very low	34.1	Very low	106 Å²	106	111.6 Å²	111.6	74%	0.741	79%	0.787	S	S	*	*			trans	68.2	147.5	153	37	0	0	0	0	119.6
474	S	36.4	Very low	34	Very low	111 Å²	111	111.4 Å²	111.4	78%	0.776	78%	0.781	S	S	*	*			cis	-161.6	145.2	-8.7	44.8	0	0	0	0	114.1
475	S	35.7	Very low	34	Very low	113 Å²	113	109.2 Å²	109.2	79%	0.79	79%	0.785	S	S	*	*			trans	-12.5	129.3	163	55.9	0	0	0	0	123.2
476	S	39.7	Very low	33.9	Very low	124 Å²	124	106.8 Å²	106.8	87%	0.867	78%	0.779	S	S	*	*				-171.7	150.9	119	36.5	0	0	0	0	107.3
477	G	32.4	Very low	33.8	Very low	82 Å²	82	113.3 Å²	113.3	85%	0.845	79%	0.785	S	S	*	*			cis	103.5	119.8	31.6	0	0	0	0	0	108.7
478	G	31.6	Very low	33.9	Very low	81 Å²	81	114.7 Å²	114.7	84%	0.835	79%	0.79	S	S	*	*			cis	-165.8	-176	1.1	0	0	0	0	0	112.8
479	S	34.7	Very low	34	Very low	114 Å²	114	120.2 Å²	120.2	80%	0.797	80%	0.796	S	S	*	*			trans	-66.8	155.6	-158.5	-47.2	0	0	0	0	121.2
480	S	35.5	Very low	34	Very low	127 Å²	127	119.9 Å²	119.9	89%	0.888	80%	0.798	S	S	*	*			trans	79.2	141.5	132.5	59.7	0	0	0	0	123.8
481	G	31.3	Very low	34.1	Very low	63 Å²	63	121.8 Å²	121.8	65%	0.649	80%	0.801	S	S	*	*			trans	130.4	103.1	168	0	0	0	0	0	112.5
482	T	32.6	Very low	35.1	Very low	141 Å²	141	121.6 Å²	121.6	87%	0.865	80%	0.797	S	S	*	*				49.6	127.7	75	65.5	0	0	0	0	115
483	S	33.4	Very low	35.2	Very low	94 Å²	94	121 Å²	121	66%	0.657	79%	0.793	S	S	*	*			cis	-170.1	179	-2.8	55.3	0	0	0	0	112
484	T	32	Very low	35.3	Very low	118 Å²	118	123.3 Å²	123.3	72%	0.724	79%	0.792	S	S	*	*			trans	61.3	119.2	148.1	44.2	0	0	0	0	122.2
485	S	33.4	Very low	35.2	Very low	126 Å²	126	124.4 Å²	124.4	88%	0.881	78%	0.784	S	S	*	*			trans	53.3	145.5	142	60.3	0	0	0	0	122
486	G	30.6	Very low	35	Very low	70 Å²	70	126.2 Å²	126.2	72%	0.722	78%	0.78	S	S	*	*			cis	160.5	164.4	-4.5	0	0	0	0	0	113.6
487	R	33.6	Very low	34.5	Very low	258 Å²	258	126.5 Å²	126.5	97%	0.974	77%	0.771	S	S	*	*			trans	46.5	108.1	169	-75.4	-175.6	170.9	169.9	-1.3	119
488	A	31.9	Very low	34.5	Very low	102 Å²	102	130.8 Å²	130.8	84%	0.843	77%	0.769	S	S	*	*			trans	-82.6	136.1	164.2	0	0	0	0	0	113.8
489	R	36.5	Very low	34.4	Very low	248 Å²	248	132.4 Å²	132.4	94%	0.936	77%	0.767	S	S	*	*			trans	-143.3	153	145.3	-71.4	-171.7	170.4	-179.1	-5.2	104.6
490	S	33.3	Very low	34.1	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	77%	0.769	S	S	*	*			cis	-152.5	162.9	24.4	52.3	0	0	0	0	112.9
491	D	36.2	Very low	33.8	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	76%	0.762	S	S	*	*			trans	-67.4	172.9	156.7	-140.4	0.4	0	0	0	109.7
492	P	56.5	Low	33.9	Very low	101 Å²	101	133.9 Å²	133.9	66%	0.656	77%	0.771	S	S	*	*				-155.6	178.9	54.5	44.5	-22.5	0	0	0	120.2
493	T	36.6	Very low	33.8	Very low	104 Å²	104	137.3 Å²	137.3	64%	0.638	77%	0.774	S	S	*	*			trans	87.7	111.3	140.8	53.9	0	0	0	0	124
494	H	36.6	Very low	33.7	Very low	155 Å²	155	135.7 Å²	135.7	72%	0.718	77%	0.772	S	S	*	*			trans	66.3	159.2	133.1	-73.9	-103.3	0	0	0	119.8
495	H	34.1	Very low	33.5	Very low	133 Å²	133	136.5 Å²	136.5	62%	0.616	78%	0.777	S	S	*	*			cis	-156.5	152.9	5.4	-129.5	-55.1	0	0	0	112.5
496	H	32	Very low	33.3	Very low	151 Å²	151	136.9 Å²	136.9	70%	0.699	78%	0.775	S	S	*	*			trans	63.2	176.5	157.8	-64.5	-64.4	0	0	0	121.3
497	L	28.8	Very low	33.5	Very low	130 Å²	130	141.9 Å²	141.9	68%	0.681	78%	0.781	S	S	*	*				-172.9	134.4	-71.9	-134.5	75.1	0	0	0	111.3
498	H	32.6	Very low	34.1	Very low	173 Å²	173	135.6 Å²	135.6	80%	0.801	77%	0.774	S	S	*	*			trans	60	168.9	158.7	-66.5	-29.9	0	0	0	120.1
499	S	30.8	Very low	34.2	Very low	114 Å²	114	135 Å²	135	80%	0.797	77%	0.769	S	S	*	*			cis	-173.5	146.8	-39.3	-168.3	0	0	0	0	111.2
500	G	28.4	Very low	34	Very low	81 Å²	81	132 Å²	132	84%	0.835	77%	0.768	S	S	*	*			trans	76.8	166.2	169.9	0	0	0	0	0	117.1
501	G	29.3	Very low	33.9	Very low	71 Å²	71	134.1 Å²	134.1	73%	0.732	77%	0.771	S	S	*	*			cis	169.3	138.7	-12.2	0	0	0	0	0	116
502	H	33.5	Very low	33.4	Very low	184 Å²	184	131.3 Å²	131.3	85%	0.852	78%	0.775	S	S	*	*			trans	69.1	160.3	161	-73	-51.7	0	0	0	123.3
503	F	30.4	Very low	32.2	Very low	212 Å²	212	133.8 Å²	133.8	93%	0.93	78%	0.783	S	S	*	*			trans	66.8	147.9	177.8	-57.4	-83.7	0	0	0	117.7
504	G	29.8	Very low	32	Very low	60 Å²	60	133.4 Å²	133.4	62%	0.619	79%	0.785	S	S	*	*			cis	158.1	128.6	-14.5	0	0	0	0	0	115.2
505	T	28.2	Very low	31.7	Very low	135 Å²	135	133.9 Å²	133.9	83%	0.828	79%	0.791	S	S	*	*			trans	74.4	120.3	163.9	-29.3	0	0	0	0	118.9
506	T	30.1	Very low	31.6	Very low	134 Å²	134	131.8 Å²	131.8	82%	0.822	79%	0.791	S	S	*	*				162.8	149.6	122.1	38.1	0	0	0	0	112.1
507	M	34.3	Very low	32.1	Very low	176 Å²	176	130.7 Å²	130.7	87%	0.867	80%	0.797	S	S	*	*			trans	-105	156.3	163.2	-75.8	-77.8	-167.6	0	0	107.8
508	P	45.7	Very low	32.5	Very low	125 Å²	125	133 Å²	133	81%	0.812	80%	0.804	S	S	*	*				-137.4	164.3	96.3	38.5	-28.1	0	0	0	113.8
509	A	35.3	Very low	32.6	Very low	91 Å²	91	128.7 Å²	128.7	75%	0.752	80%	0.799	S	S	*	*			trans	-98.3	157.5	164.9	0	0	0	0	0	110.4
510	M	31.1	Very low	32.6	Very low	183 Å²	183	135.3 Å²	135.3	90%	0.901	81%	0.806	S	S	*	*			trans	-156.9	156.6	150.8	-118.4	-172.7	173.4	0	0	111.5
511	D	31	Very low	33	Very low	161 Å²	161	139.8 Å²	139.8	86%	0.861	81%	0.806	S	S	*	*			trans	-92.7	169.3	-162.7	-49.6	-90.2	0	0	0	114.4
512	G	27.1	Very low	33.8	Very low	84 Å²	84	141.6 Å²	141.6	87%	0.866	80%	0.804	S	S	*	*			trans	-162.4	108.9	173.4	0	0	0	0	0	110.5
513	D	31.3	Very low	33.9	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	81%	0.807	S	S	*	*			trans	-112	166.8	-158.3	-154.1	-18.3	0	0	0	113.4
514	S	31.2	Very low	34.9	Very low	96 Å²	96	139 Å²	139	67%	0.671	80%	0.797	S	S	*	*			trans	70.8	150.2	164.1	-71.2	0	0	0	0	118.5
515	L	31.5	Very low	35.8	Very low	164 Å²	164	141.6 Å²	141.6	86%	0.859	80%	0.802	S	S	*	*			cis	-150.3	-177.8	3.6	-124.4	165.9	0	0	0	112.5
516	C	30.2	Very low	36.7	Very low	90 Å²	90	141.3 Å²	141.3	61%	0.608	80%	0.803	S	S	*	*			trans	-91.5	174.2	-164.1	-156.1	0	0	0	0	114.9
517	P	43.1	Very low	37	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	81%	0.808	S	S	*	*				-140.5	154.1	100.8	38.9	-26.9	0	0	0	117.3
518	Q	37.8	Very low	36.9	Very low	178 Å²	178	141.3 Å²	141.3	83%	0.832	81%	0.805	S	S	*	*			trans	-91.6	169.9	172.5	-77.4	-178.6	-3.7	0	0	111.6
519	A	34.2	Very low	36.2	Very low	83 Å²	83	146.6 Å²	146.6	69%	0.686	81%	0.809	S	S	*	*			cis	-174.8	167.6	-22.4	0	0	0	0	0	109.4
520	R	30.5	Very low	35.9	Very low	253 Å²	253	145.4 Å²	145.4	96%	0.955	81%	0.806	S	S	*	*			trans	-160.8	165.3	147.3	-111.9	172.7	-170.5	-147.8	0.1	111.9
521	Q	37.8	Very low	35.9	Very low	176 Å²	176	140 Å²	140	82%	0.822	80%	0.797	S	S	*	*			trans	-112.4	167.1	-158.4	-76.9	-78.4	-17	0	0	113.8
522	P	45.1	Very low	35.8	Very low	109 Å²	109	135.8 Å²	135.8	71%	0.708	79%	0.791	S	S	*	*			trans	-96.7	-179.2	-164.8	39.5	-37.6	0	0	0	115.9
523	Y	37	Very low	36.1	Very low	232 Å²	232	139.2 Å²	139.2	91%	0.91	80%	0.795	S	S	*	*			trans	-105.3	162.1	-179.7	-85	-87.4	0	0	0	113.9
524	P	50.9	Low	36.1	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-98.3	170.6	-163.1	38.8	-36.7	0	0	0	116.2
525	P	49.4	Very low	37	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-83.5	166.6	179.1	34.8	-37.7	0	0	0	114.8
526	P	45.3	Very low	36.9	Very low	130 Å²	130	138.3 Å²	138.3	84%	0.844	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.5	156.3	179.5	31	-36.3	0	0	0	114.3
527	L	37.9	Very low	36.9	Very low	175 Å²	175	139.3 Å²	139.3	92%	0.916	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.4	155.5	-172.2	-77.7	161	0	0	0	114.5
528	V	31.2	Very low	36.2	Very low	134 Å²	134	140 Å²	140	81%	0.812	81%	0.81	S	S	*	*			trans	-106.9	143.6	164.2	175.5	0	0	0	0	108.4
529	W	31.1	Very low	35.8	Very low	237 Å²	237	137.6 Å²	137.6	90%	0.898	81%	0.808	S	S	*	*			trans	-131.1	149.6	165.7	-162	-80.4	0	0	0	109.9
530	G	30.1	Very low	35.6	Very low	66 Å²	66	137 Å²	137	68%	0.68	81%	0.809	S	S	*	*			trans	-152.8	144.5	179.1	0	0	0	0	0	112.5
531	G	29.7	Very low	35.4	Very low	69 Å²	69	134.4 Å²	134.4	71%	0.711	81%	0.808	S	S	*	*			trans	80.1	142.4	-179.4	0	0	0	0	0	114.3
532	G	29.8	Very low	35.1	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	80%	0.802	S	S	*	*			cis	149	88.7	-9.2	0	0	0	0	0	113.9
533	V	32.7	Very low	34.5	Very low	157 Å²	157	134.7 Å²	134.7	95%	0.952	81%	0.808	S	S	*	*			trans	-154.6	152.5	166.9	-101.2	0	0	0	0	110.9
534	G	32.1	Very low	34.5	Very low	68 Å²	68	129 Å²	129	70%	0.701	80%	0.799	S	S	*	*			trans	-158.9	-160.1	162.4	0	0	0	0	0	106.7
535	P	50	Low	33.4	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	81%	0.809	S	S	*	*			cis	-119.4	168.1	-9.1	40.2	-28.4	0	0	0	112.3
536	E	29.5	Very low	32.4	Very low	198 Å²	198	134 Å²	134	93%	0.925	81%	0.813	S	S	*	*			trans	-150.8	159.6	153.5	-140	164.6	-138.4	0	0	110.8
537	S	29.1	Very low	31.7	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	81%	0.814	S	S	*	*			trans	-132.5	145.6	-164.6	55.5	0	0	0	0	112.9
538	V	28.9	Very low	31.3	Very low	142 Å²	142	134.4 Å²	134.4	86%	0.861	81%	0.808	S	S	*	*			trans	-157.5	155.8	154.9	124.8	0	0	0	0	110.6
539	T	29.7	Very low	31.2	Very low	127 Å²	127	134 Å²	134	78%	0.779	81%	0.806	S	S	*	*			trans	-67.3	159.7	176.9	48.3	0	0	0	0	112.9
540	G	30	Very low	31	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	81%	0.805	S	S	*	*			cis	126.1	116	0.9	0	0	0	0	0	112.2
541	E	27.1	Very low	30.9	Very low	199 Å²	199	137 Å²	137	93%	0.93	81%	0.809	S	S	*	*			trans	-165.8	170.5	165.6	-120.2	173.6	-165.7	0	0	110.5
542	T	31.3	Very low	30.9	Very low	115 Å²	115	139.9 Å²	139.9	71%	0.706	81%	0.812	S	S	*	*			trans	-138.2	165.1	-166.9	47.8	0	0	0	0	115.1
543	H	30.8	Very low	31	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.815	81%	0.812	S	S	*	*			trans	86.9	157.3	179.3	-49	-72.6	0	0	0	115.7
544	P	37.7	Very low	30.9	Very low	113 Å²	113	139.7 Å²	139.7	73%	0.734	80%	0.802	S	S	*	*				-128.8	146.6	-60	36.1	-23	0	0	0	112.3
545	V	28.5	Very low	30.8	Very low	152 Å²	152	145.6 Å²	145.6	92%	0.921	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.8	123.5	178	-178.3	0	0	0	0	110.7
546	Q	28.9	Very low	29.9	Very low	174 Å²	174	147.6 Å²	147.6	81%	0.813	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-88.5	154.3	174.2	-67.6	177.7	-43.6	0	0	111.8
547	E	29.6	Very low	30	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74	130.3	171.7	-61.1	178.9	122.3	0	0	111	T549	E547-T549 PolarHBondContact O-N 2.68Å
548	T	30.3	Very low	29.9	Very low	127 Å²	127	148.3 Å²	148.3	78%	0.779	81%	0.808	S	S	*	*			trans	-95.9	89.3	175.8	54.3	0	0	0	0	111.5
549	T	27.6	Very low	30	Very low	125 Å²	125	145.8 Å²	145.8	77%	0.767	80%	0.801	S	S	*	*			trans	-73.2	128.1	168.5	-50.2	0	0	0	0	110.7	E547	E547-T549 PolarHBondContact O-N 2.68Å
550	F	27.9	Very low	29.9	Very low	200 Å²	200	147.9 Å²	147.9	88%	0.877	81%	0.807	S	S	*	*			trans	-85.9	135.8	167.5	-94.4	-91.2	0	0	0	111.1
551	H	26.8	Very low	29.8	Very low	167 Å²	167	153.1 Å²	153.1	77%	0.773	81%	0.812	S	S	*	*			trans	-116.4	129	-170.4	-153	-37.1	0	0	0	111.1
552	V	30.6	Very low	30.5	Very low	128 Å²	128	149.4 Å²	149.4	78%	0.776	81%	0.805	S	S	*	*			trans	-130.7	142.5	173.2	177.8	0	0	0	0	107.1
553	P	32.4	Very low	30.5	Very low	114 Å²	114	152.5 Å²	152.5	74%	0.74	81%	0.812	S	S	*	*			trans	-87	155.1	-156.9	32.7	-36.8	0	0	0	115.2
554	P	30.8	Very low	30.3	Very low	112 Å²	112	148.8 Å²	148.8	73%	0.727	81%	0.805	S	S	*	*			trans	-89.6	146.9	177.7	35.3	-34.2	0	0	0	113.3
555	Q	29.6	Very low	29.9	Very low	192 Å²	192	150.4 Å²	150.4	90%	0.897	80%	0.803	S	S	*	*			trans	-136.3	154.3	156.6	-71.2	-162.8	-2.6	0	0	111.1
556	H	30.1	Very low	29.8	Very low	170 Å²	170	151.7 Å²	151.7	79%	0.787	80%	0.796	S	S	*	*			trans	-60.2	152.8	-163.9	-67.5	-74.7	0	0	0	116.2
557	P	32	Very low	29.9	Very low	125 Å²	125	150.8 Å²	150.8	81%	0.812	79%	0.792	S	S	*	*				-109.1	-175.8	95	-13.1	30.7	0	0	0	115.1
558	K	28	Very low	30	Very low	199 Å²	199	148 Å²	148	87%	0.865	78%	0.778	S	S	*	*			trans	-104.8	159.3	-173	-63.3	176.7	-179.8	176.6	0	112.6
559	A	29.5	Very low	30	Very low	88 Å²	88	149 Å²	149	73%	0.727	77%	0.774	S	S	*	*			trans	-76.6	170	-177.9	0	0	0	0	0	113.4
560	L	27.4	Very low	30.2	Very low	171 Å²	171	151.3 Å²	151.3	90%	0.895	78%	0.776	S	S	*	*				-168.3	166.6	73.6	-92	158.7	0	0	0	115
561	H	27.8	Very low	30.1	Very low	181 Å²	181	145 Å²	145	84%	0.838	77%	0.767	S	S	*	*			trans	-104.4	-174.2	169.3	-85.1	-63.4	0	0	0	110.4
562	P	42	Very low	30.2	Very low	121 Å²	121	143.4 Å²	143.4	79%	0.786	76%	0.76	S	S	*	*			cis	-131	-130.2	-26.8	31.9	-7.8	0	0	0	113.4
563	H	32.1	Very low	30.1	Very low	180 Å²	180	144.1 Å²	144.1	83%	0.833	76%	0.756	S	S	*	*			trans	-113.5	175.5	-164.9	-73.8	-94	0	0	0	116.5
564	S	26.8	Very low	29.9	Very low	98 Å²	98	146.4 Å²	146.4	69%	0.685	76%	0.759	S	S	*	*			trans	92.9	151.6	153.2	82.8	0	0	0	0	119.9
565	H	28.7	Very low	29.8	Very low	147 Å²	147	145 Å²	145	68%	0.681	76%	0.757	S	S	*	*			cis	-166.6	148.8	-24.9	-123.5	-82.4	0	0	0	114.8
566	F	27.4	Very low	29.8	Very low	178 Å²	178	142.7 Å²	142.7	78%	0.781	76%	0.756	S	S	*	*			trans	60.3	176.7	163.4	-56.2	-57	0	0	0	118.3
567	H	30.1	Very low	29.8	Very low	155 Å²	155	145.9 Å²	145.9	72%	0.718	76%	0.761	S	S	*	*			cis	-140.7	-143.2	-3.9	-148.8	-7	0	0	0	110.9
568	H	31	Very low	30.2	Very low	130 Å²	130	146 Å²	146	60%	0.602	76%	0.762	S	S	*	*			cis	-166	143.7	-1.5	-143.7	9.8	0	0	0	112.3
569	H	30.9	Very low	30.4	Very low	149 Å²	149	147.7 Å²	147.7	69%	0.69	76%	0.763	S	S	*	*			trans	50	169.4	155.9	-78.2	-52.5	0	0	0	122.6
570	H	31.5	Very low	31.5	Very low	173 Å²	173	148.6 Å²	148.6	80%	0.801	76%	0.761	S	S	*	*			cis	-149.3	165.2	11	-155.8	48.6	0	0	0	113.9	Q572	H570-Q572 PolarHBondContact NE2-NE2 3.29Å
571	G	25.9	Very low	31.6	Very low	67 Å²	67	152 Å²	152	69%	0.691	76%	0.762	S	S	*	*			trans	171	151.3	172.8	0	0	0	0	0	114.4
572	Q	29	Very low	31.6	Very low	134 Å²	134	151.2 Å²	151.2	63%	0.626	76%	0.758	S	S	*	*			trans	-143.1	-179.1	-169.5	-52.8	-168.4	-15.2	0	0	111.5	H570	H570-Q572 PolarHBondContact NE2-NE2 3.29Å
573	M	28.4	Very low	31	Very low	142 Å²	142	155.3 Å²	155.3	70%	0.7	76%	0.76	S	S	*	*			cis	-160.4	157.4	17	-141.5	-158	-156.1	0	0	113.2
574	M	28.6	Very low	30.8	Very low	163 Å²	163	152.6 Å²	152.6	80%	0.803	76%	0.756	S	S	*	*			trans	65.5	151.4	153.9	-70.5	-67.1	-176.6	0	0	123.7
575	A	29.2	Very low	31	Very low	82 Å²	82	153.1 Å²	153.1	68%	0.678	76%	0.76	S	S	*	*			trans	91	106.1	147.4	0	0	0	0	0	123.5
576	T	28.7	Very low	31.7	Very low	144 Å²	144	152.3 Å²	152.3	88%	0.883	77%	0.767	S	S	*	*			trans	68.3	128.6	134.2	52.7	0	0	0	0	124.5
577	R	30.5	Very low	32.1	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	77%	0.767	S	S	*	*			trans	-74.1	165.4	156.3	-93.6	179.5	178.3	-177.5	1.2	110.8
578	P	41.8	Very low	32.1	Very low	127 Å²	127	151.6 Å²	151.6	83%	0.825	78%	0.775	S	S	*	*			cis	-149.6	-175.5	44.7	42.5	-20.6	0	0	0	119.5
579	R	31	Very low	32.1	Very low	235 Å²	235	150.4 Å²	150.4	89%	0.887	78%	0.782	S	S	*	*			trans	-89.4	-175.3	167.3	-94.3	-176	173.5	-172.6	-1.5	110.5
580	P	52.5	Low	32	Very low	106 Å²	106	149.4 Å²	149.4	69%	0.688	79%	0.791	S	S	*	*			cis	-137.4	-178.5	-43.2	39.8	-24	0	0	0	113
581	R	29	Very low	31.9	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	79%	0.79	S	S	*	*			trans	178.3	171.5	132.4	-104.1	173.1	174.8	176.1	-1.6	116
582	H	29.3	Very low	32.1	Very low	165 Å²	165	150 Å²	150	76%	0.764	80%	0.799	S	S	*	*			trans	-90.5	165.4	176.9	-39.2	-122	0	0	0	112.3
583	Y	28.1	Very low	32.1	Very low	208 Å²	208	152.4 Å²	152.4	82%	0.816	81%	0.81	S	S	*	*				179.9	144.6	106.2	-115.7	-97.6	0	0	0	115.6
584	T	28.4	Very low	32.1	Very low	122 Å²	122	153.2 Å²	153.2	75%	0.748	82%	0.817	S	S	*	*			trans	41.5	148.4	152.9	43.2	0	0	0	0	126.8
585	S	31.5	Very low	32	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	81%	0.813	S	S	*	*			trans	-74	180	162	-18.1	0	0	0	0	114.4
586	P	44.1	Very low	31.9	Very low	130 Å²	130	155.8 Å²	155.8	84%	0.844	83%	0.826	S	S	*	*			trans	-125.9	169.6	136.5	38	-30.3	0	0	0	113.8
587	T	34.3	Very low	31.8	Very low	126 Å²	126	157.6 Å²	157.6	77%	0.773	83%	0.825	S	S	*	*			trans	-109	160.7	-177.5	49.9	0	0	0	0	112.5
588	H	30.5	Very low	31.7	Very low	193 Å²	193	152.6 Å²	152.6	89%	0.894	82%	0.82	S	S	*	*			trans	-153.7	168	140.6	-116.7	-77.9	0	0	0	112.2
589	S	30.9	Very low	30.8	Very low	105 Å²	105	152.5 Å²	152.5	73%	0.734	82%	0.817	S	S	*	*			trans	-140.2	150.3	-158.9	56	0	0	0	0	113.8
590	S	29.4	Very low	30.6	Very low	127 Å²	127	149.8 Å²	149.8	89%	0.888	81%	0.814	S	S	*	*			trans	-155.9	166.5	151.8	59.7	0	0	0	0	110.8
591	S	29.9	Very low	29.4	Very low	110 Å²	110	148.5 Å²	148.5	77%	0.769	82%	0.821	S	S	*	*			trans	-145.7	147.5	-166.9	56.9	0	0	0	0	112
592	T	29.2	Very low	29.3	Very low	144 Å²	144	145 Å²	145	88%	0.883	81%	0.814	S	S	*	*			trans	-150.9	143.3	148.7	15.2	0	0	0	0	110.1
593	Q	30	Very low	29.2	Very low	183 Å²	183	144 Å²	144	86%	0.855	81%	0.814	S	S	*	*			trans	-84.8	155.9	156.3	-61.7	167.2	-89.4	0	0	107.8
594	D	27.6	Very low	29.2	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	81%	0.811	S	S	*	*			trans	-150.9	164.9	132.5	-137.7	-30.7	0	0	0	110.7
595	S	27.3	Very low	29.1	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	81%	0.814	S	S	*	*			trans	-151.5	126.4	-178.8	-68	0	0	0	0	111
596	M	26.9	Very low	29	Very low	197 Å²	197	141.9 Å²	141.9	97%	0.97	81%	0.813	S	S	*	*			trans	-147.5	148.4	161.2	-109.3	177.2	-169.8	0	0	111.9
597	E	26.1	Very low	28.3	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	81%	0.805	S	S	*	*			trans	-80.5	177.2	178.9	-55.1	169	106	0	0	111.1
598	V	27	Very low	28	Very low	131 Å²	131	142.4 Å²	142.4	79%	0.794	81%	0.811	S	S	*	*				174.8	113.7	118.9	151	0	0	0	0	112.1
599	V	24.6	Very low	27.9	Very low	125 Å²	125	138.3 Å²	138.3	76%	0.758	80%	0.804	S	S	*	*			trans	64.5	145.5	139.2	-177	0	0	0	0	122.1
600	H	26.8	Very low	27.8	Very low	178 Å²	178	138.5 Å²	138.5	82%	0.824	81%	0.805	S	S	*	*			trans	-52.6	152.5	-178.6	-48.2	-70.8	0	0	0	118.5
601	G	26.2	Very low	27.8	Very low	80 Å²	80	138.2 Å²	138.2	83%	0.825	80%	0.803	S	S	*	*			trans	-129.6	145.9	149.9	0	0	0	0	0	109.7
602	H	26.6	Very low	27.9	Very low	168 Å²	168	138 Å²	138	78%	0.778	81%	0.808	S	S	*	*			trans	-128.7	165.9	-163.6	-146.6	-102	0	0	0	112.7
603	L	28.9	Very low	28	Very low	144 Å²	144	136.1 Å²	136.1	75%	0.754	80%	0.801	S	S	*	*			trans	72.8	138.1	175	-49.4	159.4	0	0	0	114.1
604	S	26.5	Very low	28	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	80%	0.797	S	S	*	*			cis	77.6	150.8	27.9	-60.6	0	0	0	0	116.1
605	M	27.3	Very low	28.2	Very low	167 Å²	167	129.8 Å²	129.8	82%	0.823	79%	0.789	S	S	*	*			trans	75.9	143.7	-172.9	-48.7	-69	-88	0	0	113.1
606	T	28.9	Very low	28.3	Very low	119 Å²	119	129.4 Å²	129.4	73%	0.73	79%	0.787	S	S	*	*			cis	-149.4	160.3	-3.6	-11	0	0	0	0	111.5
607	S	29.2	Very low	28.3	Very low	98 Å²	98	126.1 Å²	126.1	69%	0.685	78%	0.778	S	S	*	*			trans	-68.3	157.4	159.7	54.6	0	0	0	0	112.3
608	L	28	Very low	28.4	Very low	170 Å²	170	121.9 Å²	121.9	89%	0.89	77%	0.768	S	S	*	*				-167.2	169.3	120.9	-105.3	168.3	0	0	0	112.4
609	S	28.1	Very low	28.4	Very low	106 Å²	106	121.1 Å²	121.1	74%	0.741	77%	0.769	S	S	*	*			trans	-150.9	128.6	-169.1	57.7	0	0	0	0	112.8
610	S	29.1	Very low	28.6	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	78%	0.775	S	S	*	*			trans	-160.1	131.3	167.3	37	0	0	0	0	107.9
611	S	30.2	Very low	28.7	Very low	120 Å²	120	117.6 Å²	117.6	84%	0.839	77%	0.77	S	S	*	*			cis	92.1	130.3	37.4	76.4	0	0	0	0	113.3
612	A	32.1	Very low	28.9	Very low	107 Å²	107	120.7 Å²	120.7	88%	0.884	77%	0.773	S	S	*	*			trans	-102.4	158.2	-157	0	0	0	0	0	116.5
613	S	29.7	Very low	28.9	Very low	103 Å²	103	116.3 Å²	116.3	72%	0.72	77%	0.773	S	S	*	*			trans	-166.7	123.1	158.8	50.3	0	0	0	0	107.2
614	S	31.2	Very low	28.9	Very low	110 Å²	110	116.3 Å²	116.3	77%	0.769	77%	0.774	S	S	*	*				52.1	133.4	80.4	74.4	0	0	0	0	113.4
615	S	30.7	Very low	29.1	Very low	99 Å²	99	120.3 Å²	120.3	69%	0.692	78%	0.78	S	S	*	*			cis	-168.7	157.8	17.8	46	0	0	0	0	114.9
616	S	29.5	Very low	29.2	Very low	95 Å²	95	115.8 Å²	115.8	66%	0.664	78%	0.776	S	S	*	*			trans	65.9	159.6	139.8	62.1	0	0	0	0	122.9
617	T	28.3	Very low	29.1	Very low	128 Å²	128	118.1 Å²	118.1	79%	0.785	78%	0.784	S	S	*	*			trans	69.8	156.3	168.8	64	0	0	0	0	118.2
618	S	27.6	Very low	29.1	Very low	94 Å²	94	122 Å²	122	66%	0.657	79%	0.791	S	S	*	*				-179	172.3	-57.3	47.6	0	0	0	0	109.5
619	S	27.8	Very low	29.1	Very low	115 Å²	115	117.5 Å²	117.5	80%	0.804	78%	0.779	S	S	*	*			trans	67.5	140.6	164.1	35.2	0	0	0	0	118.7
620	S	28.9	Very low	29.1	Very low	125 Å²	125	123.5 Å²	123.5	87%	0.874	79%	0.787	S	S	*	*			trans	-119.6	144.6	-176	-39.5	0	0	0	0	111
621	S	28.5	Very low	29.1	Very low	103 Å²	103	125.7 Å²	125.7	72%	0.72	79%	0.785	S	S	*	*			trans	-159.1	106.2	166.1	57.8	0	0	0	0	110.1
622	T	29.1	Very low	29.1	Very low	145 Å²	145	125.9 Å²	125.9	89%	0.89	78%	0.776	S	S	*	*				71.4	134.1	101.9	58.9	0	0	0	0	116.8
623	G	26.5	Very low	29	Very low	76 Å²	76	130.4 Å²	130.4	78%	0.784	77%	0.77	S	S	*	*			trans	111.7	90.7	-179	0	0	0	0	0	111
624	N	29.6	Very low	29.1	Very low	145 Å²	145	131.6 Å²	131.6	78%	0.775	76%	0.764	S	S	*	*			cis	71.3	85.9	39.2	-168.3	40.9	0	0	0	115.1
625	H	31.8	Very low	28.9	Very low	192 Å²	192	132.8 Å²	132.8	89%	0.889	76%	0.761	S	S	*	*			trans	-160.3	152.8	135.9	-86.9	-46	0	0	0	108.8
626	G	27.8	Very low	29.8	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	77%	0.765	S	S	*	*			trans	-145	162.9	170.7	0	0	0	0	0	110.2
627	N	28.2	Very low	29.9	Very low	169 Å²	169	133.6 Å²	133.6	90%	0.904	77%	0.769	S	S	*	*			trans	-153.5	168.8	162.4	-131	-23.1	0	0	0	112
628	Q	29.1	Very low	29.9	Very low	178 Å²	178	131.4 Å²	131.4	83%	0.832	77%	0.772	S	S	*	*			trans	-103.8	164.5	-160.3	-60.4	-179.4	-11.9	0	0	115.4
629	A	27.8	Very low	30.1	Very low	76 Å²	76	131.6 Å²	131.6	63%	0.628	78%	0.78	S	S	*	*			trans	72.4	136.6	144.9	0	0	0	0	0	121
630	Y	28.1	Very low	30.2	Very low	233 Å²	233	134.9 Å²	134.9	91%	0.914	79%	0.787	S	S	*	*				-155.8	167.7	122	-106.6	-70.2	0	0	0	110.9
631	Q	29.6	Very low	30.1	Very low	155 Å²	155	135.7 Å²	135.7	72%	0.724	78%	0.782	S	S	*	*			trans	-152.9	166.4	-166.9	-57.4	-172.4	16.3	0	0	110.7
632	L	29.7	Very low	30.2	Very low	125 Å²	125	140.5 Å²	140.5	65%	0.654	79%	0.79	S	S	*	*			cis	-134.6	-123.2	-0.1	-152.5	47.2	0	0	0	108.1
633	R	30.4	Very low	30.1	Very low	201 Å²	201	136.7 Å²	136.7	76%	0.758	78%	0.78	S	S	*	*			cis	-155.6	165.6	-9.5	-147.3	156.5	-175.5	-161.2	-4.6	113.6
634	H	30.5	Very low	30.4	Very low	128 Å²	128	141.5 Å²	141.5	59%	0.593	78%	0.782	S	S	*	*			trans	-21.8	170	159.5	-58.7	-23.8	0	0	0	120.7
635	L	28.3	Very low	30.4	Very low	135 Å²	135	141.7 Å²	141.7	71%	0.707	78%	0.783	S	S	*	*			cis	-172.2	-167.8	-9.5	-100.4	167.3	0	0	0	105.9	A637	L635-A637 HydrophobicContact CD2-CB 4.11Å
636	P	48.2	Very low	30.1	Very low	118 Å²	118	136.7 Å²	136.7	77%	0.766	78%	0.783	S	S	*	*			cis	-110.2	171	-11.1	16.9	8.3	0	0	0	112.1
637	A	32.2	Very low	30.1	Very low	93 Å²	93	137 Å²	137	77%	0.769	79%	0.786	S	S	*	*			cis	87	121.2	32	0	0	0	0	0	115.9	L635	L635-A637 HydrophobicContact CD2-CB 4.11Å
638	G	28.6	Very low	30.1	Very low	82 Å²	82	137.7 Å²	137.7	85%	0.845	79%	0.789	S	S	*	*			trans	-177.2	137.6	175.6	0	0	0	0	0	109
639	A	30.9	Very low	30	Very low	98 Å²	98	134.4 Å²	134.4	81%	0.81	79%	0.785	S	S	*	*			trans	-147.5	151.1	-169	0	0	0	0	0	112.3
640	L	30.5	Very low	30.1	Very low	185 Å²	185	140 Å²	140	97%	0.969	80%	0.801	S	S	*	*			trans	-144.6	154	157.8	-79.7	-176.5	0	0	0	109.5
641	D	27.9	Very low	29.9	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	79%	0.793	S	S	*	*			trans	-134.6	150.7	-179.4	172.6	39.1	0	0	0	108.8
642	F	29	Very low	29.9	Very low	203 Å²	203	134 Å²	134	89%	0.89	81%	0.805	S	S	*	*			trans	169	156	146.5	-107.7	-78.2	0	0	0	109.5
643	G	28.4	Very low	29.6	Very low	65 Å²	65	131.3 Å²	131.3	67%	0.67	81%	0.808	S	S	*	*			trans	-155.4	-142.8	-178.9	0	0	0	0	0	114.6
644	Q	31.8	Very low	29.4	Very low	177 Å²	177	125.5 Å²	125.5	83%	0.827	80%	0.803	S	S	*	*			trans	88	131.8	-179.6	-73.4	-164.6	-0.3	0	0	120.3
645	N	29.7	Very low	29.1	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	82%	0.817	S	S	*	*			trans	67.8	137.9	140.7	-63	-16	0	0	0	121.8
646	G	26.6	Very low	29	Very low	86 Å²	86	128.4 Å²	128.4	89%	0.887	82%	0.824	S	S	*	*			trans	148.3	70.6	168.2	0	0	0	0	0	114.4
647	G	26.9	Very low	28.1	Very low	77 Å²	77	130 Å²	130	79%	0.794	83%	0.826	S	S	*	*			trans	-106.7	144.1	172.3	0	0	0	0	0	112.2
648	L	28.4	Very low	28.3	Very low	185 Å²	185	130.5 Å²	130.5	97%	0.969	82%	0.822	S	S	*	*			trans	-153.3	168.6	169.1	-109.9	173.2	0	0	0	111.3
649	S	26.5	Very low	28.3	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	82%	0.819	S	S	*	*			trans	-134.3	142.5	-165.6	176.7	0	0	0	0	113
650	M	29.2	Very low	28.3	Very low	194 Å²	194	137.8 Å²	137.8	96%	0.956	81%	0.808	S	S	*	*			trans	175.8	161.2	153.9	-99.9	172.9	-168.9	0	0	108
651	G	25.6	Very low	28.2	Very low	72 Å²	72	135.4 Å²	135.4	74%	0.742	79%	0.791	S	S	*	*			cis	163	139.6	-0.8	0	0	0	0	0	108.7
652	L	28.8	Very low	28.3	Very low	189 Å²	189	135.2 Å²	135.2	99%	0.99	80%	0.796	S	S	*	*			trans	-116	140.5	-168.8	-108.2	170.6	0	0	0	114
653	G	24.5	Very low	28.3	Very low	69 Å²	69	128.9 Å²	128.9	71%	0.711	79%	0.787	S	S	*	*			trans	109.7	164.9	166.8	0	0	0	0	0	116.1
654	A	25.5	Very low	28.2	Very low	79 Å²	79	135.2 Å²	135.2	65%	0.653	80%	0.802	S	S	*	*			cis	-169.9	162.4	-16.2	0	0	0	0	0	111.7
655	F	24.3	Very low	28.1	Very low	204 Å²	204	131.6 Å²	131.6	90%	0.895	80%	0.803	S	S	*	*			trans	64.5	165.7	169.3	-61	-73.7	0	0	0	116.5
656	S	26	Very low	28	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	80%	0.803	S	S	*	*			cis	-144.9	175.8	19.6	-52	0	0	0	0	114
657	N	29.3	Very low	28.2	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	80%	0.801	S	S	*	*			trans	-136	157.5	179.6	-174.2	34.1	0	0	0	110.8
658	P	36.9	Very low	29	Very low	105 Å²	105	136 Å²	136	68%	0.682	80%	0.801	S	S	*	*			trans	-153.6	136.6	143.1	35.6	-16.4	0	0	0	119
659	R	27.9	Very low	29	Very low	212 Å²	212	130.8 Å²	130.8	80%	0.8	79%	0.785	S	S	*	*			trans	60.4	161	134.3	-66.4	177.6	161	-133.6	6.9	119.4
660	Q	31	Very low	29.2	Very low	120 Å²	120	135.4 Å²	135.4	56%	0.561	79%	0.792	S	S	*	*			cis	-171.7	164	-10.6	-106.2	-179.3	-78.3	0	0	106.8
661	E	28.1	Very low	29.1	Very low	135 Å²	135	131.5 Å²	131.5	63%	0.631	78%	0.783	S	S	*	*			cis	-171.9	174.6	-18.3	-150.4	148.6	-117	0	0	110.4
662	T	30.7	Very low	29.3	Very low	139 Å²	139	137 Å²	137	85%	0.853	79%	0.792	S	S	*	*			trans	58.5	151.7	168.1	66.8	0	0	0	0	120.7
663	G	27.7	Very low	29.2	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	78%	0.782	S	S	*	*			cis	169.1	163	-14.3	0	0	0	0	0	117.1
664	M	27.4	Very low	29.5	Very low	198 Å²	198	134.5 Å²	134.5	98%	0.975	79%	0.786	S	S	*	*			trans	85	145.7	154.5	-62.8	-153.5	171.6	0	0	125.5
665	A	29	Very low	29.7	Very low	102 Å²	102	138 Å²	138	84%	0.843	79%	0.793	S	S	*	*			trans	73.7	144.6	158.6	0	0	0	0	0	120.9
666	A	27.4	Very low	30.1	Very low	97 Å²	97	134.9 Å²	134.9	80%	0.802	79%	0.792	S	S	*	*			cis	-165.9	160.4	-22.6	0	0	0	0	0	111.4
667	H	30.8	Very low	30.3	Very low	186 Å²	186	132.7 Å²	132.7	86%	0.861	79%	0.788	S	S	*	*			trans	-108.3	158.6	172.7	-80.2	-75	0	0	0	112.2
668	P	44.2	Very low	31.5	Very low	121 Å²	121	132 Å²	132	79%	0.786	79%	0.792	S	S	*	*				-138.6	170	99.5	36.7	-23.7	0	0	0	113.1
669	A	28.8	Very low	31.1	Very low	76 Å²	76	130.2 Å²	130.2	63%	0.628	79%	0.792	S	S	*	*			cis	116.9	132.7	-1.9	0	0	0	0	0	116.3
670	F	30.2	Very low	31.1	Very low	206 Å²	206	127.5 Å²	127.5	90%	0.904	79%	0.788	S	S	*	*			trans	69	155.8	172.7	-65.9	-78.9	0	0	0	118.1
671	S	27.7	Very low	31	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	80%	0.798	S	S	*	*			cis	-150.3	-172.8	1.5	-149.8	0	0	0	0	114.1
672	M	28.9	Very low	31	Very low	189 Å²	189	132.8 Å²	132.8	93%	0.931	81%	0.81	S	S	*	*			trans	-75.9	167	178.7	-64.9	-177.7	174.8	0	0	116.3
673	G	27	Very low	30.9	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	80%	0.798	S	S	*	*			trans	-164.1	149	157.1	0	0	0	0	0	112.3
674	T	30.3	Very low	30.9	Very low	131 Å²	131	136.1 Å²	136.1	80%	0.804	81%	0.81	S	S	*	*			trans	-140.9	156.8	-172.1	49.2	0	0	0	0	114.5
675	N	30.2	Very low	31	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	80%	0.802	S	S	*	*			trans	58.1	133	167.8	-76.3	-14.2	0	0	0	118.4
676	T	32.9	Very low	31	Very low	140 Å²	140	134.1 Å²	134.1	86%	0.859	80%	0.801	S	S	*	*				-179.6	161	78	34.7	0	0	0	0	111.8
677	G	30	Very low	31.2	Very low	75 Å²	75	137.9 Å²	137.9	77%	0.773	81%	0.807	S	S	*	*			trans	91.7	126.6	142.8	0	0	0	0	0	119.2
678	P	53.9	Low	31	Very low	136 Å²	136	132.4 Å²	132.4	88%	0.883	80%	0.8	S	S	*	*			trans	-122.7	165.6	-179.9	41.7	-31.4	0	0	0	116.5
679	G	28.4	Very low	30.3	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	81%	0.805	S	S	*	*			trans	131.6	163.3	157.8	0	0	0	0	0	115
680	H	29.5	Very low	30.2	Very low	155 Å²	155	141.3 Å²	141.3	72%	0.718	81%	0.812	S	S	*	*			cis	-169.1	138.7	-29.4	-127.9	-60.2	0	0	0	109
681	Y	28.4	Very low	30.1	Very low	199 Å²	199	139.8 Å²	139.8	78%	0.78	81%	0.808	S	S	*	*			trans	71.9	147.9	152.3	-84	-53.8	0	0	0	124
682	L	27.7	Very low	30.1	Very low	167 Å²	167	138.2 Å²	138.2	87%	0.874	81%	0.809	S	S	*	*			trans	68.3	156.4	161.4	-61.6	165.3	0	0	0	118.7
683	A	28.4	Very low	30.1	Very low	73 Å²	73	137.1 Å²	137.1	60%	0.603	80%	0.804	S	S	*	*			cis	-171.3	146	-37	0	0	0	0	0	110.8
684	E	28.4	Very low	30.2	Very low	206 Å²	206	140 Å²	140	96%	0.963	80%	0.801	S	S	*	*			trans	55.8	160.6	162	-62.2	-166.6	120.3	0	0	120
685	G	28.2	Very low	30.1	Very low	77 Å²	77	145 Å²	145	79%	0.794	81%	0.806	S	S	*	*			trans	143.3	121.5	-180	0	0	0	0	0	112.5
686	H	30.1	Very low	30	Very low	180 Å²	180	145.8 Å²	145.8	83%	0.833	80%	0.804	S	S	*	*			trans	-125.9	167.9	-177.7	-140.1	62.7	0	0	0	110.8
687	L	30.4	Very low	29.8	Very low	177 Å²	177	148 Å²	148	93%	0.927	81%	0.805	S	S	*	*			trans	76.9	144.8	-173.4	-46.7	156.5	0	0	0	113.7
688	G	28.6	Very low	29.6	Very low	70 Å²	70	149.9 Å²	149.9	72%	0.722	81%	0.807	S	S	*	*			cis	171.8	150.1	-11	0	0	0	0	0	114
689	M	27.6	Very low	28.6	Very low	179 Å²	179	149.7 Å²	149.7	88%	0.882	81%	0.805	S	S	*	*			trans	72.2	126.5	166.3	-76.3	-69.7	-179.4	0	0	122.8
690	R	27.7	Very low	28.8	Very low	205 Å²	205	155.4 Å²	155.4	77%	0.774	82%	0.816	S	S	*	*			trans	70.8	111.6	143.9	-81.1	-173.4	166	-173.4	-5.1	124.2
691	Q	28.3	Very low	28.8	Very low	175 Å²	175	154.5 Å²	154.5	82%	0.818	82%	0.822	S	S	*	*				55.3	119.5	124.8	-64.9	177.4	-62.9	0	0	121.4
692	G	27.2	Very low	28.9	Very low	78 Å²	78	148.5 Å²	148.5	80%	0.804	82%	0.82	S	S	*	*			trans	170.1	76.1	161.5	0	0	0	0	0	118
693	M	29.3	Very low	29	Very low	166 Å²	166	147.1 Å²	147.1	82%	0.818	82%	0.818	S	S	*	*			trans	38.9	130	153.2	-68.7	172.6	67.6	0	0	123.5
694	D	29.8	Very low	28.9	Very low	133 Å²	133	148.7 Å²	148.7	71%	0.711	82%	0.824	S	S	*	*			trans	58	102.9	137.2	-50.3	-18.5	0	0	0	122.6
695	R	27.5	Very low	29.1	Very low	238 Å²	238	143.4 Å²	143.4	90%	0.898	81%	0.805	S	S	*	*				-163.9	177.9	111.9	-115.4	176.2	169.5	155.3	-0.5	115.2
696	E	28.1	Very low	28.9	Very low	167 Å²	167	148.3 Å²	148.3	78%	0.78	81%	0.808	S	S	*	*			trans	-93.9	174.4	-149.5	-60.3	170.4	96.5	0	0	117.5
697	E	27.7	Very low	29.1	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	80%	0.796	S	S	*	*			trans	67.1	112.8	156.8	-67.6	-157.2	137.5	0	0	122.3
698	S	26.6	Very low	28.8	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	79%	0.789	S	S	*	*			trans	-148.9	149.7	135.5	-82	0	0	0	0	109.5
699	P	33.4	Very low	28.7	Very low	131 Å²	131	144.9 Å²	144.9	85%	0.851	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.9	147	-158.8	28.2	-35.8	0	0	0	114.9
700	M	32.1	Very low	28.8	Very low	186 Å²	186	144.2 Å²	144.2	92%	0.916	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.3	140.1	-177	-69.4	-170.2	-177.8	0	0	114.2
701	T	29.5	Very low	28.7	Very low	137 Å²	137	138.7 Å²	138.7	84%	0.84	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-55.7	137.3	156.1	46.6	0	0	0	0	111.2
702	G	30.8	Very low	28.7	Very low	72 Å²	72	136.2 Å²	136.2	74%	0.742	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60.1	149.2	-167.9	0	0	0	0	0	116.2	C704	G702-C704 PolarHBondContact O-N 3.17Å
703	V	29	Very low	28.7	Very low	138 Å²	138	141.5 Å²	141.5	84%	0.836	82%	0.815	S	S	*	*			trans	-62.8	104.9	174.5	179.8	0	0	0	0	109.6	V705	V703-V705 PolarHBondContact O-N 3.32Å
704	C	27.1	Very low	28.6	Very low	106 Å²	106	140.3 Å²	140.3	72%	0.716	82%	0.815	S	S	*	*			trans	-67.6	130.4	174.9	-168.9	0	0	0	0	109.9	G702 Q706	G702-C704 PolarHBondContact O-N 3.17Å; C704-Q706 PolarHBondContact O-N 2.88Å
705	V	32.3	Very low	28.6	Very low	95 Å²	95	140.6 Å²	140.6	58%	0.576	82%	0.821	S	S	*	*			trans	-71.4	85.2	170.4	-177.9	0	0	0	0	108.3	V703 Q707	V703-V705 PolarHBondContact O-N 3.32Å; V705-Q707 PolarHBondContact O-N 2.89Å
706	Q	24.1	Very low	28.6	Very low	181 Å²	181	135.2 Å²	135.2	85%	0.846	82%	0.816	S	S	*	*			trans	-67.6	115.2	-177.7	-164.4	169.9	11.8	0	0	109.3	C704 S708	C704-Q706 PolarHBondContact O-N 2.88Å; Q706-S708 PolarHBondContact O-N 3.47Å
707	Q	33.5	Very low	28.7	Very low	126 Å²	126	133.4 Å²	133.4	59%	0.589	82%	0.818	S	S	*	*			trans	-70.8	131.5	-174.3	-56.4	-164.8	-85.5	0	0	110.7	V705 S709	V705-Q707 PolarHBondContact O-N 2.89Å; Q707-S709 PolarHBondContact O-N 3.11Å
708	S	25.4	Very low	28.7	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	82%	0.816	S	S	*	*			trans	-65.4	130.4	161.6	45	0	0	0	0	109.3	Q706 M710	Q706-S708 PolarHBondContact O-N 3.47Å; S708-M710 PolarHBondContact O-N 3.11Å
709	S	25	Very low	28.9	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	82%	0.816	S	S	*	*			trans	-68.7	116	168.2	52.2	0	0	0	0	108.8	Q707 A711	Q707-S709 PolarHBondContact O-N 3.11Å; S709-A711 PolarHBondContact O-N 3.33Å
710	M	30.8	Very low	28.5	Very low	165 Å²	165	131.1 Å²	131.1	81%	0.813	81%	0.813	S	S	*	*			trans	-61	111.4	170.4	-76.2	-176.3	168.1	0	0	109.5	S708	S708-M710 PolarHBondContact O-N 3.11Å
711	A	25.1	Very low	28.3	Very low	90 Å²	90	126.8 Å²	126.8	74%	0.744	81%	0.806	S	S	*	*			trans	-77.3	127.7	164.3	0	0	0	0	0	108.4	S709	S709-A711 PolarHBondContact O-N 3.33Å
712	S	28.3	Very low	28.2	Very low	123 Å²	123	126 Å²	126	86%	0.86	80%	0.803	S	S	*	*			trans	-71.3	128.9	173.2	-54.2	0	0	0	0	110.5
713	S	26.6	Very low	27.9	Very low	188 Å²	188	130.9 Å²	130.9	100%	1.315	81%	0.808	S	S	*	*			trans	-155.6	0	166.9	-67.7	0	0	0	0	108.1

Retrieved 713 of 713 residues in 1327.5 ms (Link to these results)

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