A0A3Q0KKJ9_SCHMA Loading...

Nalp (Nacht, leucine rich repeat and pyrin domain containing)-related

AlphaFold DB , UniProt , Accession A0A3Q0KKJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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	37.2	Very low	35.1	Very low	246 Å²	246	160.7 Å²	160.7	100%	1.212	82%	0.815	S	S	*	*				0	121.1	0	-66.9	-175.1	-138	0	0	106.4
2	G	32.6	Very low	35.3	Very low	69 Å²	69	156.2 Å²	156.2	71%	0.711	80%	0.804	S	S	*	*			trans	-63.7	171.2	178.2	0	0	0	0	0	111.8
3	I	34	Very low	35	Very low	157 Å²	157	157.3 Å²	157.3	81%	0.805	81%	0.81	S	S	*	*				-171.9	114.4	73	-73.1	141	0	0	0	104.7
4	N	31.4	Very low	34.7	Very low	152 Å²	152	151.1 Å²	151.1	81%	0.813	80%	0.804	S	S	*	*				45.2	123.9	94.3	-88.7	10.1	0	0	0	116.8
5	E	36.6	Very low	34.6	Very low	161 Å²	161	153.8 Å²	153.8	75%	0.752	81%	0.81	S	S	*	*				170.8	111.2	124.8	-91.2	169.7	-171	0	0	109.7
6	Q	38.8	Very low	34.6	Very low	152 Å²	152	157 Å²	157	71%	0.71	82%	0.815	S	S	*	*				83.2	138.5	97.4	-73.6	-169.3	-44.8	0	0	112.7
7	D	36.3	Very low	34.3	Very low	125 Å²	125	157.4 Å²	157.4	67%	0.668	82%	0.819	S	S	*	*			cis	-171.8	173.1	-1.8	-96.9	-26.6	0	0	0	107.9
8	Q	35.2	Very low	34.3	Very low	173 Å²	173	158.5 Å²	158.5	81%	0.808	82%	0.819	S	S	*	*			trans	97.4	94.4	161.6	-52.9	-169.2	-15.4	0	0	116.3
9	E	33.7	Very low	34.1	Very low	178 Å²	178	158.5 Å²	158.5	83%	0.832	82%	0.82	S	S	*	*				68.9	126.2	81	-71.3	-175	162.3	0	0	111.8
10	E	33.5	Very low	34	Very low	172 Å²	172	157.5 Å²	157.5	80%	0.804	82%	0.822	S	S	*	*			cis	-153.8	137	37	-67	177.8	138.3	0	0	113.3
11	H	37.1	Very low	33.9	Very low	183 Å²	183	156.2 Å²	156.2	85%	0.847	82%	0.82	S	S	*	*			trans	46.2	153	133.5	-75.2	-51.8	0	0	0	127
12	P	37	Very low	33.5	Very low	106 Å²	106	150.4 Å²	150.4	69%	0.688	80%	0.799	S	S	*	*			trans	-128.2	159.8	-133.9	41.1	-24.8	0	0	0	116
13	I	31.8	Very low	33.4	Very low	171 Å²	171	152.2 Å²	152.2	88%	0.877	80%	0.798	S	S	*	*			trans	-143.3	114.2	149	-58.1	-179	0	0	0	108
14	G	31.1	Very low	33.4	Very low	70 Å²	70	150.1 Å²	150.1	72%	0.722	80%	0.797	S	S	*	*			trans	-99	126.7	173.8	0	0	0	0	0	111.5
15	Q	32.6	Very low	33.3	Very low	192 Å²	192	149 Å²	149	90%	0.897	80%	0.796	S	S	*	*			trans	-139.2	142.5	152.1	-84.7	-170.5	-18	0	0	109.1
16	K	35.2	Very low	33	Very low	205 Å²	205	144.8 Å²	144.8	89%	0.891	78%	0.782	S	S	*	*			trans	-72.6	142.7	-160.6	-68.9	171.4	170.1	177.4	0	113.6
17	D	29.1	Very low	32.5	Very low	164 Å²	164	145 Å²	145	88%	0.877	79%	0.787	S	S	*	*			trans	-60.1	129.3	160	-69.4	-50.8	0	0	0	111.7
18	E	33.4	Very low	32.3	Very low	177 Å²	177	145.2 Å²	145.2	83%	0.827	78%	0.782	S	S	*	*			trans	-151.7	107.3	156.6	-110.5	174.5	-155.5	0	0	109.8	T20	E18-T20 PolarHBondContact O-N 3.45Å
19	N	31.4	Very low	32.1	Very low	158 Å²	158	144.8 Å²	144.8	85%	0.845	78%	0.782	S	S	*	*			trans	22.8	94.3	148.1	-69.7	-33.7	0	0	0	117.9
20	T	31.9	Very low	32.1	Very low	138 Å²	138	142 Å²	142	85%	0.847	77%	0.773	S	S	*	*			trans	-106.5	94.5	155.7	22.5	0	0	0	0	110	E18 V22	E18-T20 PolarHBondContact O-N 3.45Å; T20-V22 PolarHBondContact O-N 3.15Å; T20-V22 VanDerWaalsContact O-N 3.15Å
21	V	31.8	Very low	32.2	Very low	131 Å²	131	138.8 Å²	138.8	79%	0.794	76%	0.758	S	S	*	*			trans	-58.4	110.1	163.7	174.1	0	0	0	0	107.7	P23	V21-P23 WeakPolarHBondContact O-CD 3.34Å
22	V	29.3	Very low	32.2	Very low	125 Å²	125	135.7 Å²	135.7	76%	0.758	75%	0.748	S	S	*	*			trans	-67.6	117.4	169.5	-175.7	0	0	0	0	107.5	T20 S24	T20-V22 PolarHBondContact O-N 3.15Å; T20-V22 VanDerWaalsContact O-N 3.15Å; V22-S24 PolarHBondContact O-N 3.22Å
23	P	30.1	Very low	32.3	Very low	106 Å²	106	136.1 Å²	136.1	69%	0.688	74%	0.744	S	S	*	*			trans	-72	117.7	171.8	27.9	-26	0	0	0	107.3	V21 T25	V21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-T25 PolarHBondContact O-N 2.96Å
24	S	33.3	Very low	32.5	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	73%	0.728	S	S	*	*			trans	-58.9	103.8	168.3	26.8	0	0	0	0	108.9	V22	V22-S24 PolarHBondContact O-N 3.22Å
25	T	29.3	Very low	33	Very low	127 Å²	127	131.6 Å²	131.6	78%	0.779	71%	0.714	S	S	*	*			trans	-55	123.6	171.3	-10.4	0	0	0	0	108.1	P23 I27	P23-T25 PolarHBondContact O-N 2.96Å; T25-I27 PolarHBondContact O-N 3.31Å
26	P	30.2	Very low	33.5	Very low	73 Å²	73	127 Å²	127	47%	0.474	70%	0.695	S	S	.	*			trans	-65.1	125.3	171.7	-8.2	23.5	0	0	0	106.8	F28	P26-F28 HydrophobicContact CB-CD2 3.88Å; P26-F28 HydrophobicContact CB-CE2 3.84Å; P26-F28 HydrophobicContact CG-CD2 4.2Å; P26-F28 HydrophobicContact CG-CE2 3.78Å; P26-F28 PolarHBondContact O-N 2.83Å
27	I	30.1	Very low	33.8	Very low	156 Å²	156	121.5 Å²	121.5	80%	0.8	67%	0.672	S	S	*	*			trans	-64.6	92.6	164	-61.5	171.5	0	0	0	105.6	T25 M29	T25-I27 PolarHBondContact O-N 3.31Å; I27-M29 HydrophobicContact CG2-CG 4.4Å; I27-M29 PolarHBondContact O-N 3.01Å
28	F	32.1	Very low	34.5	Very low	130 Å²	130	115.8 Å²	115.8	57%	0.57	65%	0.647	S	S	*	*			trans	-79	100.1	169.6	-86.2	-77	0	0	0	108	P26 Q31	P26-F28 HydrophobicContact CB-CD2 3.88Å; P26-F28 HydrophobicContact CB-CE2 3.84Å; P26-F28 HydrophobicContact CG-CD2 4.2Å; P26-F28 HydrophobicContact CG-CE2 3.78Å; P26-F28 PolarHBondContact O-N 2.83Å; F28-Q31 VanDerWaalsContact CD1-CD 3.41Å; F28-Q31 HydrophobicContact CD1-CG 3.62Å; F28-Q31 HydrophobicContact CE1-CG 3.9Å
29	M	31.1	Very low	35.1	Very low	165 Å²	165	111 Å²	111	81%	0.813	63%	0.628	S	S	*	*			trans	-121.9	118.1	154.7	-73.5	174.9	160.4	0	0	104	I27	I27-M29 HydrophobicContact CG2-CG 4.4Å; I27-M29 PolarHBondContact O-N 3.01Å
30	D	32.5	Very low	35.8	Very low	119 Å²	119	106.8 Å²	106.8	64%	0.636	61%	0.607	S	S	*	*			cis	-126.9	101.9	3.4	-74.1	-51.7	0	0	0	107.9
31	Q	36.1	Very low	36.4	Very low	104 Å²	104	102.1 Å²	102.1	49%	0.486	58%	0.577	S	S	.	*	S	Bend	trans	-78.9	-13.6	161.6	-90.9	-175.3	-22	0	0	111.5	F28 S34 T35	F28-Q31 VanDerWaalsContact CD1-CD 3.41Å; F28-Q31 HydrophobicContact CD1-CG 3.62Å; F28-Q31 HydrophobicContact CE1-CG 3.9Å; Q31-S34 PolarHBondContact O-OG 2.76Å; Q31-T35 WeakPolarHBondContact O-CB 3.32Å; Q31-T35 PolarHBondContact O-N 3.41Å; Q31-T35 PolarHBondContact O-OG1 3.07Å
32	D	37	Very low	37.3	Very low	118 Å²	118	102.7 Å²	102.7	63%	0.631	57%	0.568	S	S	*	*	H	α-helix	trans	-69.8	-31.9	-179.7	-81.2	-22.2	0	0	0	112.9	N36	D32-N36 WeakPolarHBondContact O-CA 3.37Å; D32-N36 WeakPolarHBondContact O-CB 2.97Å; D32-N36 PolarHBondContact O-N 3.24Å
33	D	38.4	Very low	38.3	Very low	115 Å²	115	100.3 Å²	100.3	62%	0.615	55%	0.551	S	S	*	*	H	α-helix	trans	-74.4	-36.1	179.7	-93.1	-6.6	0	0	0	113.4	F37	D33-F37 WeakPolarHBondContact O-CB 3.25Å; D33-F37 PolarHBondContact O-N 2.81Å
34	S	37.2	Very low	39	Very low	77 Å²	77	103 Å²	103	54%	0.538	55%	0.548	S	S	.	.	H	α-helix	trans	-73.7	-36.2	177.3	70.9	0	0	0	0	112.2	Q31 A38	Q31-S34 PolarHBondContact O-OG 2.76Å; S34-A38 WeakPolarHBondContact O-CB 3.5Å; S34-A38 PolarHBondContact O-N 3.28Å
35	T	42.1	Very low	39.5	Very low	70 Å²	70	102.1 Å²	102.1	43%	0.429	53%	0.53	S	S	.	.	H	α-helix	trans	-79	-39.1	178.4	-37.8	0	0	0	0	110.9	Q31 F37 A38 N39	Q31-T35 WeakPolarHBondContact O-CB 3.32Å; Q31-T35 PolarHBondContact O-N 3.41Å; Q31-T35 PolarHBondContact O-OG1 3.07Å; T35-F37 VanDerWaalsContact C-N 3.35Å; T35-A38 PolarHBondContact O-N 3.22Å; T35-N39 VanDerWaalsContact O-CB 3.26Å; T35-N39 WeakPolarHBondContact O-CB 2.73Å; T35-N39 PolarHBondContact O-N 3.3Å; T35-N39 PolarHBondContact O-ND2 3.36Å
36	N	42	Very low	40.5	Very low	94 Å²	94	104 Å²	104	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-41	168.2	-100.1	-35.6	0	0	0	111.1	D32 N39 T40	D32-N36 WeakPolarHBondContact O-CA 3.37Å; D32-N36 WeakPolarHBondContact O-CB 2.97Å; D32-N36 PolarHBondContact O-N 3.24Å; N36-N39 PolarHBondContact O-N 3.47Å; N36-T40 WeakPolarHBondContact O-CA 3.46Å; N36-T40 WeakPolarHBondContact O-CB 3.38Å; N36-T40 PolarHBondContact O-N 3.25Å; N36-T40 PolarHBondContact O-OG1 3.19Å
37	F	41.8	Very low	41.2	Very low	90 Å²	90	108.8 Å²	108.8	40%	0.395	53%	0.531	S	S	.	.	H	α-helix	trans	-67.9	-42.1	179	-172.3	-97.9	0	0	0	111.6	D33 T35 T40 M41	D33-F37 WeakPolarHBondContact O-CB 3.25Å; D33-F37 PolarHBondContact O-N 2.81Å; T35-F37 VanDerWaalsContact C-N 3.35Å; F37-T40 PolarHBondContact O-N 3.48Å; F37-M41 HydrophobicContact CD1-CG 4.06Å; F37-M41 HydrophobicContact CE1-CG 3.72Å; F37-M41 HydrophobicContact CE2-CG 4.4Å; F37-M41 HydrophobicContact CZ-CE 4.48Å; F37-M41 HydrophobicContact CZ-CG 3.9Å; F37-M41 HydrophobicContact CZ-SD 4.29Å; F37-M41 VanDerWaalsContact O-CB 3.31Å; F37-M41 WeakPolarHBondContact O-CB 3.29Å; F37-M41 VanDerWaalsContact O-CG 3.32Å; F37-M41 WeakPolarHBondContact O-CG 3.45Å; F37-M41 PolarHBondContact O-N 2.84Å
38	A	43	Very low	41.7	Very low	45 Å²	45	108.7 Å²	108.7	37%	0.372	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-41.6	174	0	0	0	0	0	112	S34 T35 M41 K42	S34-A38 WeakPolarHBondContact O-CB 3.5Å; S34-A38 PolarHBondContact O-N 3.28Å; T35-A38 PolarHBondContact O-N 3.22Å; A38-M41 PolarHBondContact O-N 2.87Å; A38-K42 WeakPolarHBondContact O-CB 3.27Å; A38-K42 WeakPolarHBondContact O-CG 3.41Å; A38-K42 PolarHBondContact O-N 3.43Å
39	N	47.1	Very low	42	Very low	77 Å²	77	108.2 Å²	108.2	41%	0.412	53%	0.525	S	S	.	.	H	α-helix	trans	-69.3	-39.5	175	-71.9	-22.6	0	0	0	111.9	T35 N36 M41 K42 D43	T35-N39 VanDerWaalsContact O-CB 3.26Å; T35-N39 WeakPolarHBondContact O-CB 2.73Å; T35-N39 PolarHBondContact O-N 3.3Å; T35-N39 PolarHBondContact O-ND2 3.36Å; N36-N39 PolarHBondContact O-N 3.47Å; N39-M41 VanDerWaalsContact C-N 3.33Å; N39-M41 PolarHBondContact O-N 2.98Å; N39-K42 PolarHBondContact O-N 3.24Å; N39-D43 VanDerWaalsContact O-CB 3.3Å; N39-D43 WeakPolarHBondContact O-CB 3.46Å; N39-D43 PolarHBondContact O-N 2.83Å
40	T	45.4	Very low	42.5	Very low	68 Å²	68	107.5 Å²	107.5	42%	0.417	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-35.5	175.6	-59.4	0	0	0	0	111.2	N36 F37 R44	N36-T40 WeakPolarHBondContact O-CA 3.46Å; N36-T40 WeakPolarHBondContact O-CB 3.38Å; N36-T40 PolarHBondContact O-N 3.25Å; N36-T40 PolarHBondContact O-OG1 3.19Å; F37-T40 PolarHBondContact O-N 3.48Å; T40-R44 WeakPolarHBondContact O-CB 3.41Å; T40-R44 WeakPolarHBondContact O-CG 3.36Å; T40-R44 PolarHBondContact O-N 3.33Å
41	M	45.5	Very low	42.9	Very low	41 Å²	41	104.2 Å²	104.2	20%	0.202	51%	0.505	C	S	.	.	H	α-helix	trans	-75.2	-39.8	175	-76	-71.6	-92.1	0	0	111.7	F37 A38 N39 D43 R44 F45	F37-M41 HydrophobicContact CD1-CG 4.06Å; F37-M41 HydrophobicContact CE1-CG 3.72Å; F37-M41 HydrophobicContact CE2-CG 4.4Å; F37-M41 HydrophobicContact CZ-CE 4.48Å; F37-M41 HydrophobicContact CZ-CG 3.9Å; F37-M41 HydrophobicContact CZ-SD 4.29Å; F37-M41 VanDerWaalsContact O-CB 3.31Å; F37-M41 WeakPolarHBondContact O-CB 3.29Å; F37-M41 VanDerWaalsContact O-CG 3.32Å; F37-M41 WeakPolarHBondContact O-CG 3.45Å; F37-M41 PolarHBondContact O-N 2.84Å; A38-M41 PolarHBondContact O-N 2.87Å; N39-M41 VanDerWaalsContact C-N 3.33Å; N39-M41 PolarHBondContact O-N 2.98Å; M41-D43 VanDerWaalsContact C-N 3.3Å; M41-D43 PolarHBondContact O-N 3.3Å; M41-R44 CarbonylContact O-C 3.45Å; M41-R44 PolarHBondContact O-N 3.22Å; M41-F45 WeakPolarHBondContact O-CB 3.45Å; M41-F45 PolarHBondContact O-N 3.1Å
42	K	50.6	Low	43	Very low	142 Å²	142	107 Å²	107	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-60.5	-40.2	169.4	-78.4	176.7	-179.6	176	0	111.4	A38 N39 F45 R46	A38-K42 WeakPolarHBondContact O-CB 3.27Å; A38-K42 WeakPolarHBondContact O-CG 3.41Å; A38-K42 PolarHBondContact O-N 3.43Å; N39-K42 PolarHBondContact O-N 3.24Å; K42-F45 WeakPolarHBondContact O-CB 3.49Å; K42-F45 PolarHBondContact O-N 3.5Å; K42-R46 WeakPolarHBondContact O-CB 3.4Å; K42-R46 PolarHBondContact O-N 2.95Å
43	D	50.2	Low	43.2	Very low	75 Å²	75	107.8 Å²	107.8	40%	0.401	53%	0.525	S	S	.	.	H	α-helix	trans	-70	-38	174.3	-87.4	-4.6	0	0	0	112	N39 M41 F45 R46 R47	N39-D43 VanDerWaalsContact O-CB 3.3Å; N39-D43 WeakPolarHBondContact O-CB 3.46Å; N39-D43 PolarHBondContact O-N 2.83Å; M41-D43 VanDerWaalsContact C-N 3.3Å; M41-D43 PolarHBondContact O-N 3.3Å; D43-F45 VanDerWaalsContact C-N 3.33Å; D43-R46 PolarHBondContact O-N 2.92Å; D43-R47 WeakPolarHBondContact O-CB 3.46Å; D43-R47 WeakPolarHBondContact O-CG 3.04Å; D43-R47 PolarHBondContact O-N 3.11Å
44	R	45.2	Very low	43.4	Very low	162 Å²	162	107.2 Å²	107.2	61%	0.611	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-36.6	170.6	-84.9	-178	172.4	-171.7	-0.1	111.8	T40 M41 K48	T40-R44 WeakPolarHBondContact O-CB 3.41Å; T40-R44 WeakPolarHBondContact O-CG 3.36Å; T40-R44 PolarHBondContact O-N 3.33Å; M41-R44 CarbonylContact O-C 3.45Å; M41-R44 PolarHBondContact O-N 3.22Å; R44-K48 VanDerWaalsContact O-CB 3.3Å; R44-K48 WeakPolarHBondContact O-CB 3.41Å; R44-K48 WeakPolarHBondContact O-CG 3.43Å; R44-K48 PolarHBondContact O-N 3.49Å
45	F	43	Very low	43.6	Very low	97 Å²	97	104.6 Å²	104.6	43%	0.425	51%	0.511	S	S	.	.	H	α-helix	trans	-65.6	-50.3	173.1	-105.4	-85.9	0	0	0	110.9	M41 K42 D43 R47 K48 E49 V111	M41-F45 WeakPolarHBondContact O-CB 3.45Å; M41-F45 PolarHBondContact O-N 3.1Å; K42-F45 WeakPolarHBondContact O-CB 3.49Å; K42-F45 PolarHBondContact O-N 3.5Å; D43-F45 VanDerWaalsContact C-N 3.33Å; F45-R47 VanDerWaalsContact C-N 3.35Å; F45-R47 PolarHBondContact O-N 3.35Å; F45-K48 PolarHBondContact O-N 3.42Å; F45-E49 WeakPolarHBondContact O-CB 3.49Å; F45-E49 PolarHBondContact O-N 3.42Å; F45-V111 HydrophobicContact CE1-CG1 4.49Å; F45-V111 HydrophobicContact CE1-CG2 4.37Å; F45-V111 HydrophobicContact CE2-CG2 4.31Å; F45-V111 HydrophobicContact CZ-CG1 4.21Å; F45-V111 HydrophobicContact CZ-CG2 3.67Å
46	R	49.9	Very low	43.9	Very low	166 Å²	166	107 Å²	107	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-59.1	-43	174.2	-85.3	-177	166	178.9	-3.9	111.9	K42 D43 E49 Q50	K42-R46 WeakPolarHBondContact O-CB 3.4Å; K42-R46 PolarHBondContact O-N 2.95Å; D43-R46 PolarHBondContact O-N 2.92Å; R46-E49 PolarHBondContact O-N 2.88Å; R46-Q50 VanDerWaalsContact O-CB 3.23Å; R46-Q50 WeakPolarHBondContact O-CB 3.26Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.23Å; R46-Q50 PolarHBondContact O-N 3.11Å
47	R	45.3	Very low	44.4	Very low	173 Å²	173	106.3 Å²	106.3	65%	0.653	52%	0.524	S	S	*	.	H	α-helix	trans	-66.5	-37	176	-73.6	177	-165	-164	6.9	111.9	D43 F45 S51	D43-R47 WeakPolarHBondContact O-CB 3.46Å; D43-R47 WeakPolarHBondContact O-CG 3.04Å; D43-R47 PolarHBondContact O-N 3.11Å; F45-R47 VanDerWaalsContact C-N 3.35Å; F45-R47 PolarHBondContact O-N 3.35Å; R47-S51 WeakPolarHBondContact O-CA 3.4Å; R47-S51 WeakPolarHBondContact O-CB 3.4Å; R47-S51 PolarHBondContact O-N 3.43Å; R47-S51 PolarHBondContact O-OG 2.98Å
48	K	39.9	Very low	44.8	Very low	154 Å²	154	108.5 Å²	108.5	67%	0.67	54%	0.535	S	S	*	.	H	α-helix	trans	-72.7	-32	173.8	-81.6	-176.3	175.9	179.2	0	112.9	R44 F45 S51	R44-K48 VanDerWaalsContact O-CB 3.3Å; R44-K48 WeakPolarHBondContact O-CB 3.41Å; R44-K48 WeakPolarHBondContact O-CG 3.43Å; R44-K48 PolarHBondContact O-N 3.49Å; F45-K48 PolarHBondContact O-N 3.42Å; K48-S51 PolarHBondContact O-OG 3.31Å
49	E	39.5	Very low	45.5	Very low	121 Å²	121	109.9 Å²	109.9	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-74.2	-37.4	172.9	-77	-157.1	129.4	0	0	112.5	F45 R46 K52	F45-E49 WeakPolarHBondContact O-CB 3.49Å; F45-E49 PolarHBondContact O-N 3.42Å; R46-E49 PolarHBondContact O-N 2.88Å; E49-K52 WeakPolarHBondContact O-CD 3.16Å; E49-K52 VanDerWaalsContact O-CG 3.23Å; E49-K52 WeakPolarHBondContact O-CG 3.41Å
50	Q	40.2	Very low	46	Very low	149 Å²	149	112 Å²	112	70%	0.696	54%	0.541	S	S	*	.	H	α-helix	trans	-77.1	-27.2	174.2	-70.9	175	-4.8	0	0	111.8	R46 K52	R46-Q50 VanDerWaalsContact O-CB 3.23Å; R46-Q50 WeakPolarHBondContact O-CB 3.26Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.23Å; R46-Q50 PolarHBondContact O-N 3.11Å; Q50-K52 PolarHBondContact O-N 3.14Å; Q50-K52 VanDerWaalsContact O-N 3.12Å
51	S	41.4	Very low	46.7	Very low	50 Å²	50	115.8 Å²	115.8	35%	0.35	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	23.6	170.2	88.6	0	0	0	0	113.5	R47 K48 V53 T54	R47-S51 WeakPolarHBondContact O-CA 3.4Å; R47-S51 WeakPolarHBondContact O-CB 3.4Å; R47-S51 PolarHBondContact O-N 3.43Å; R47-S51 PolarHBondContact O-OG 2.98Å; K48-S51 PolarHBondContact O-OG 3.31Å; S51-V53 PolarHBondContact O-N 3.13Å; S51-T54 PolarHBondContact O-N 2.85Å; S51-T54 PolarHBondContact O-OG1 3.32Å
52	K	39.3	Very low	47.2	Very low	164 Å²	164	114.9 Å²	114.9	71%	0.713	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-4.5	164.5	-87.9	174.1	-178.4	170.7	0	113.5	E49 Q50	E49-K52 WeakPolarHBondContact O-CD 3.16Å; E49-K52 VanDerWaalsContact O-CG 3.23Å; E49-K52 WeakPolarHBondContact O-CG 3.41Å; Q50-K52 PolarHBondContact O-N 3.14Å; Q50-K52 VanDerWaalsContact O-N 3.12Å
53	V	40.9	Very low	47.7	Very low	133 Å²	133	114.4 Å²	114.4	81%	0.806	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.1	172.7	-171.8	0	0	0	0	114.4	S51	S51-V53 PolarHBondContact O-N 3.13Å
54	T	41.1	Very low	48.2	Very low	103 Å²	103	119.2 Å²	119.2	63%	0.632	56%	0.555	S	S	*	*	S	Bend	trans	-102.4	6.4	170.1	54.3	0	0	0	0	114	S51 N56	S51-T54 PolarHBondContact O-N 2.85Å; S51-T54 PolarHBondContact O-OG1 3.32Å; T54-N56 PolarHBondContact O-N 3.09Å; T54-N56 VanDerWaalsContact O-N 3.12Å
55	G	42.4	Very low	48.9	Very low	23 Å²	23	112.4 Å²	112.4	24%	0.237	53%	0.531	C	S	.	.	H	α-helix	trans	-66.5	-10.5	-176.8	0	0	0	0	0	115.9	I59	G55-I59 WeakPolarHBondContact O-CB 3.42Å; G55-I59 VanDerWaalsContact O-CD1 3.3Å; G55-I59 WeakPolarHBondContact O-CD1 3.39Å; G55-I59 WeakPolarHBondContact O-CG1 3.44Å; G55-I59 PolarHBondContact O-N 3.49Å
56	N	48.9	Very low	49.7	Very low	119 Å²	119	110.8 Å²	110.8	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-75.3	-35.6	-172.9	-93.5	-22.1	0	0	0	114.3	T54 K60	T54-N56 PolarHBondContact O-N 3.09Å; T54-N56 VanDerWaalsContact O-N 3.12Å; N56-K60 WeakPolarHBondContact O-CB 3.48Å; N56-K60 WeakPolarHBondContact O-CD 3.49Å; N56-K60 WeakPolarHBondContact O-CG 3.35Å; N56-K60 PolarHBondContact O-N 3Å
57	S	51.3	Low	50	Low	80 Å²	80	107 Å²	107	56%	0.559	53%	0.525	S	S	*	.	H	α-helix	trans	-76	-46.9	-175.2	62.8	0	0	0	0	112.5	K60 R61	S57-K60 PolarHBondContact O-N 3.27Å; S57-R61 WeakPolarHBondContact O-CB 3.26Å; S57-R61 PolarHBondContact O-N 2.94Å
58	H	50.5	Low	50.3	Low	137 Å²	137	100.3 Å²	100.3	63%	0.634	51%	0.507	S	S	*	.	H	α-helix	trans	-67.3	-43.6	177.7	-97.7	-78.6	0	0	0	112.1	R61 C62	H58-R61 PolarHBondContact O-N 3.16Å; H58-C62 WeakPolarHBondContact O-CB 3.38Å; H58-C62 PolarHBondContact O-N 3.1Å; H58-C62 PolarHBondContact O-SG 3.47Å
59	I	58.2	Low	50.6	Low	74 Å²	74	102.5 Å²	102.5	38%	0.379	52%	0.517	S	S	.	.	H	α-helix	trans	-67.3	-40	175.6	-62.5	172.2	0	0	0	110.1	G55 R61 C62 K63	G55-I59 WeakPolarHBondContact O-CB 3.42Å; G55-I59 VanDerWaalsContact O-CD1 3.3Å; G55-I59 WeakPolarHBondContact O-CD1 3.39Å; G55-I59 WeakPolarHBondContact O-CG1 3.44Å; G55-I59 PolarHBondContact O-N 3.49Å; I59-R61 VanDerWaalsContact C-N 3.34Å; I59-R61 PolarHBondContact O-N 3.33Å; I59-C62 PolarHBondContact O-N 3.1Å; I59-K63 HydrophobicContact CG2-CD 3.9Å; I59-K63 HydrophobicContact CG2-CG 4.06Å; I59-K63 VanDerWaalsContact O-CB 3.23Å; I59-K63 WeakPolarHBondContact O-CB 3.37Å; I59-K63 VanDerWaalsContact O-CG 3.27Å; I59-K63 WeakPolarHBondContact O-CG 3.4Å; I59-K63 PolarHBondContact O-N 3.24Å
60	K	57.8	Low	51.1	Low	120 Å²	120	103.1 Å²	103.1	52%	0.522	52%	0.524	S	S	.	.	H	α-helix	trans	-60.2	-42.6	172.2	-80	173.9	-177.8	-174.9	0	111.4	N56 S57 K63 R64	N56-K60 WeakPolarHBondContact O-CB 3.48Å; N56-K60 WeakPolarHBondContact O-CD 3.49Å; N56-K60 WeakPolarHBondContact O-CG 3.35Å; N56-K60 PolarHBondContact O-N 3Å; S57-K60 PolarHBondContact O-N 3.27Å; K60-K63 PolarHBondContact O-N 3.05Å; K60-R64 WeakPolarHBondContact O-CB 3.49Å; K60-R64 VanDerWaalsContact O-CG 3.25Å; K60-R64 WeakPolarHBondContact O-CG 3.35Å; K60-R64 PolarHBondContact O-N 3.32Å
61	R	59	Low	51.6	Low	149 Å²	149	102.8 Å²	102.8	56%	0.562	52%	0.522	S	S	*	.	H	α-helix	trans	-63	-48.1	177	-169.9	175.9	-177.9	171.3	1.9	111.3	S57 H58 I59 R64 L65	S57-R61 WeakPolarHBondContact O-CB 3.26Å; S57-R61 PolarHBondContact O-N 2.94Å; H58-R61 PolarHBondContact O-N 3.16Å; I59-R61 VanDerWaalsContact C-N 3.34Å; I59-R61 PolarHBondContact O-N 3.33Å; R61-R64 WeakPolarHBondContact O-CB 3.49Å; R61-R64 PolarHBondContact O-N 2.87Å; R61-L65 WeakPolarHBondContact O-CG 3.4Å; R61-L65 PolarHBondContact O-N 3.4Å; R61-L65 VanDerWaalsContact O-N 3.08Å
62	C	57.7	Low	52.6	Low	22 Å²	22	106.8 Å²	106.8	15%	0.149	53%	0.53	C	S	.	.	H	α-helix	trans	-64.9	-38.8	176.3	-70.2	0	0	0	0	112.6	H58 I59 R64 L65 L66 L91 P92	H58-C62 WeakPolarHBondContact O-CB 3.38Å; H58-C62 PolarHBondContact O-N 3.1Å; H58-C62 PolarHBondContact O-SG 3.47Å; I59-C62 PolarHBondContact O-N 3.1Å; C62-R64 VanDerWaalsContact C-N 3.35Å; C62-L65 VanDerWaalsContact O-CB 3.32Å; C62-L65 WeakPolarHBondContact O-CB 3.45Å; C62-L65 PolarHBondContact O-N 3.23Å; C62-L65 VanDerWaalsContact O-N 3.16Å; C62-L66 PolarHBondContact O-N 3Å; C62-L91 HydrophobicContact CB-CD2 4.1Å; C62-P92 PolarHBondContact SG-O 3.01Å; C62-P92 VanDerWaalsContact SG-O 3.41Å
63	K	60	Low	53.9	Low	131 Å²	131	99.6 Å²	99.6	57%	0.57	50%	0.498	S	S	*	.	H	α-helix	trans	-65.2	-37.7	173.3	-76.7	-176.8	176.3	-174.7	0	111.5	I59 K60 L65 L66 S67	I59-K63 HydrophobicContact CG2-CD 3.9Å; I59-K63 HydrophobicContact CG2-CG 4.06Å; I59-K63 VanDerWaalsContact O-CB 3.23Å; I59-K63 WeakPolarHBondContact O-CB 3.37Å; I59-K63 VanDerWaalsContact O-CG 3.27Å; I59-K63 WeakPolarHBondContact O-CG 3.4Å; I59-K63 PolarHBondContact O-N 3.24Å; K60-K63 PolarHBondContact O-N 3.05Å; K63-L65 VanDerWaalsContact C-N 3.27Å; K63-L65 PolarHBondContact O-N 3.37Å; K63-L66 CarbonylContact O-C 3.57Å; K63-L66 PolarHBondContact O-N 3.46Å; K63-S67 WeakPolarHBondContact O-CB 3.38Å; K63-S67 PolarHBondContact O-N 3.03Å; K63-S67 PolarHBondContact O-OG 3.23Å
64	R	60.9	Low	55.6	Low	176 Å²	176	99.2 Å²	99.2	66%	0.664	50%	0.497	S	S	*	.	H	α-helix	trans	-60	-36.4	170.9	-77	175.1	-174	176.9	0.2	111.7	K60 R61 C62 L66 S67 A68	K60-R64 WeakPolarHBondContact O-CB 3.49Å; K60-R64 VanDerWaalsContact O-CG 3.25Å; K60-R64 WeakPolarHBondContact O-CG 3.35Å; K60-R64 PolarHBondContact O-N 3.32Å; R61-R64 WeakPolarHBondContact O-CB 3.49Å; R61-R64 PolarHBondContact O-N 2.87Å; C62-R64 VanDerWaalsContact C-N 3.35Å; R64-L66 PolarHBondContact O-N 3.49Å; R64-S67 PolarHBondContact O-N 2.78Å; R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 2.79Å
65	L	60.3	Low	57.7	Low	20 Å²	20	96 Å²	96	11%	0.105	48%	0.475	C	S	.	.	H	α-helix	trans	-61.9	-32.5	173.8	-55.5	-170.9	0	0	0	112.7	R61 C62 K63 W72 Y73 L82 P92	R61-L65 WeakPolarHBondContact O-CG 3.4Å; R61-L65 PolarHBondContact O-N 3.4Å; R61-L65 VanDerWaalsContact O-N 3.08Å; C62-L65 VanDerWaalsContact O-CB 3.32Å; C62-L65 WeakPolarHBondContact O-CB 3.45Å; C62-L65 PolarHBondContact O-N 3.23Å; C62-L65 VanDerWaalsContact O-N 3.16Å; K63-L65 VanDerWaalsContact C-N 3.27Å; K63-L65 PolarHBondContact O-N 3.37Å; L65-W72 HydrophobicContact CD2-CZ2 3.34Å; L65-Y73 HydrophobicContact CD2-CE2 4.48Å; L65-L82 HydrophobicContact CB-CD2 4.19Å; L65-P92 HydrophobicContact CB-CG 4.47Å; L65-P92 HydrophobicContact CD1-CB 4.22Å
66	L	58.4	Low	59.9	Low	63 Å²	63	99.2 Å²	99.2	33%	0.33	49%	0.492	S	S	.	.	H	α-helix	trans	-87.8	-23.1	179.7	-66.4	170.4	0	0	0	113.3	C62 K63 R64 R86 P92	C62-L66 PolarHBondContact O-N 3Å; K63-L66 CarbonylContact O-C 3.57Å; K63-L66 PolarHBondContact O-N 3.46Å; R64-L66 PolarHBondContact O-N 3.49Å; L66-R86 HydrophobicContact CD2-CB 3.95Å; L66-R86 HydrophobicContact CD2-CG 4.48Å; L66-P92 HydrophobicContact CD2-CG 3.75Å; L66-P92 HydrophobicContact CG-CG 3.98Å
67	S	57.6	Low	61.8	Low	85 Å²	85	95.8 Å²	95.8	59%	0.594	47%	0.474	S	S	*	.	H	α-helix	trans	-100.3	-0.9	-173.8	75.3	0	0	0	0	114.6	K63 R64 K69	K63-S67 WeakPolarHBondContact O-CB 3.38Å; K63-S67 PolarHBondContact O-N 3.03Å; K63-S67 PolarHBondContact O-OG 3.23Å; R64-S67 PolarHBondContact O-N 2.78Å; S67-K69 PolarHBondContact O-N 3.33Å
68	A	50.3	Low	63.6	Low	34 Å²	34	93.4 Å²	93.4	28%	0.281	45%	0.454	S	S	.	.			trans	-74.1	100.5	-165.8	0	0	0	0	0	112.5	R64 D70	R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 2.79Å; A68-D70 WeakPolarHBondContact CB-O 3.38Å; A68-D70 PolarHBondContact O-N 2.82Å
69	K	47.7	Very low	65.5	Low	199 Å²	199	90.4 Å²	90.4	87%	0.865	44%	0.442	S	S	*	.	S	Bend	trans	-60.5	-7.2	150.3	-80.5	-177.1	171.6	-176.7	0	112.7	S67	S67-K69 PolarHBondContact O-N 3.33Å
70	D	49	Very low	67	Low	134 Å²	134	91.6 Å²	91.6	72%	0.717	45%	0.446	S	S	*	.	S	Bend	trans	-111	97	176.1	-57.8	-44.9	0	0	0	110.2	A68 W72	A68-D70 WeakPolarHBondContact CB-O 3.38Å; A68-D70 PolarHBondContact O-N 2.82Å; D70-W72 VanDerWaalsContact C-N 3.34Å; D70-W72 PolarHBondContact O-N 3.31Å
71	H	51.9	Low	68.7	Low	143 Å²	143	86 Å²	86	66%	0.662	42%	0.422	S	S	*	.			trans	-71.3	85.3	-176.8	-66.1	13.2	0	0	0	111.1
72	W	61.6	Low	70.2	Confident	133 Å²	133	79.8 Å²	79.8	50%	0.504	40%	0.399	S	S	.	.			trans	-74	-20.5	174.5	69.9	-90.5	0	0	0	112.7	L65 D70	L65-W72 HydrophobicContact CD2-CZ2 3.34Å; D70-W72 VanDerWaalsContact C-N 3.34Å; D70-W72 PolarHBondContact O-N 3.31Å
73	Y	67	Low	71.9	Confident	13 Å²	13	82.2 Å²	82.2	5%	0.051	41%	0.411	C	S	.	.			trans	-101	131.9	170.5	-64.4	-64.9	0	0	0	110.3	L65 Q78 L82 V97	L65-Y73 HydrophobicContact CD2-CE2 4.48Å; Y73-Q78 HydrophobicContact CD1-CB 4.37Å; Y73-Q78 VanDerWaalsContact CD1-CD 3.44Å; Y73-Q78 HydrophobicContact CD1-CG 4.43Å; Y73-Q78 HydrophobicContact CG-CB 4.33Å; Y73-L82 HydrophobicContact CD2-CD1 3.48Å; Y73-L82 VanDerWaalsContact CD2-CD1 3.48Å; Y73-L82 HydrophobicContact CE2-CD1 3.71Å; Y73-V97 HydrophobicContact CD1-CG1 4.22Å; Y73-V97 HydrophobicContact CD2-CG1 4.4Å; Y73-V97 HydrophobicContact CE1-CB 4.38Å; Y73-V97 HydrophobicContact CE1-CG1 3.47Å; Y73-V97 VanDerWaalsContact CE1-CG1 3.47Å; Y73-V97 HydrophobicContact CE2-CB 4.47Å; Y73-V97 HydrophobicContact CE2-CG1 3.68Å; Y73-V97 VanDerWaalsContact OH-CB 3.23Å; Y73-V97 WeakPolarHBondContact OH-CB 3.02Å; Y73-V97 WeakPolarHBondContact OH-CG1 3.26Å
74	T	76.7	Confident	73.4	Confident	126 Å²	126	77.2 Å²	77.2	77%	0.773	39%	0.39	S	S	*	.			trans	-114.2	-8.8	174.9	52.2	0	0	0	0	112.6
75	D	85.4	Confident	74.9	Confident	34 Å²	34	68.9 Å²	68.9	18%	0.182	36%	0.359	C	S	.	.			trans	-74.2	128.2	-179.9	-179	70.9	0	0	0	111.1	D77 Q78 L79 K101	D75-D77 VanDerWaalsContact C-N 3.35Å; D75-D77 PolarHBondContact O-N 3.15Å; D75-D77 WeakPolarHBondContact OD2-CB 3.42Å; D75-D77 PolarHBondContact OD2-N 3.36Å; D75-Q78 HydrophobicContact CB-CB 4.14Å; D75-Q78 HydrophobicContact CB-CG 3.86Å; D75-Q78 PolarHBondContact O-N 3.33Å; D75-Q78 WeakPolarHBondContact OD2-CG 3.12Å; D75-Q78 PolarHBondContact OD2-N 3.45Å; D75-L79 WeakPolarHBondContact O-CG 3.46Å; D75-L79 PolarHBondContact O-N 2.84Å; D75-L79 VanDerWaalsContact O-N 3.09Å; D75-K101 WeakPolarHBondContact OD1-CE 3.46Å; D75-K101 IonicContact OD1-NZ 3.69Å; D75-K101 PolarHBondContact OD1-NZ 2.71Å; D75-K101 WeakPolarHBondContact OD2-CE 3.48Å; D75-K101 IonicContact OD2-NZ 2.82Å; D75-K101 PolarHBondContact OD2-NZ 3.43Å
76	P	87.6	Confident	76.4	Confident	91 Å²	91	75 Å²	75	59%	0.591	38%	0.381	S	S	*	.	H	α-helix	trans	-55.6	-43	-179.1	-28.1	35.8	0	0	0	114.1	Q78 L79 E80	P76-Q78 VanDerWaalsContact C-N 3.34Å; P76-Q78 PolarHBondContact O-N 2.95Å; P76-L79 PolarHBondContact O-N 3.42Å; P76-E80 WeakPolarHBondContact O-CB 3.42Å; P76-E80 PolarHBondContact O-N 3.31Å
77	D	88.3	Confident	78	Confident	48 Å²	48	77.7 Å²	77.7	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-67.1	-38.8	-177.1	-52.1	-0.3	0	0	0	110.9	D75 E80 Y81 K101	D75-D77 VanDerWaalsContact C-N 3.35Å; D75-D77 PolarHBondContact O-N 3.15Å; D75-D77 WeakPolarHBondContact OD2-CB 3.42Å; D75-D77 PolarHBondContact OD2-N 3.36Å; D77-E80 PolarHBondContact O-N 3.21Å; D77-Y81 WeakPolarHBondContact O-CB 3.46Å; D77-Y81 PolarHBondContact O-N 2.83Å; D77-K101 VanDerWaalsContact CG-NZ 3.25Å; D77-K101 IonicContact OD1-NZ 2.82Å; D77-K101 WeakPolarHBondContact OD2-CE 3.45Å; D77-K101 IonicContact OD2-NZ 3.68Å; D77-K101 PolarHBondContact OD2-NZ 3.5Å
78	Q	90	Very high	79.5	Confident	30 Å²	30	79.2 Å²	79.2	14%	0.14	39%	0.387	C	S	.	.	H	α-helix	trans	-62.6	-44	174.2	-65.2	179.6	-31.3	0	0	111.2	Y73 D75 P76 L82 V97 L100	Y73-Q78 HydrophobicContact CD1-CB 4.37Å; Y73-Q78 VanDerWaalsContact CD1-CD 3.44Å; Y73-Q78 HydrophobicContact CD1-CG 4.43Å; Y73-Q78 HydrophobicContact CG-CB 4.33Å; D75-Q78 HydrophobicContact CB-CB 4.14Å; D75-Q78 HydrophobicContact CB-CG 3.86Å; D75-Q78 PolarHBondContact O-N 3.33Å; D75-Q78 WeakPolarHBondContact OD2-CG 3.12Å; D75-Q78 PolarHBondContact OD2-N 3.45Å; P76-Q78 VanDerWaalsContact C-N 3.34Å; P76-Q78 PolarHBondContact O-N 2.95Å; Q78-L82 WeakPolarHBondContact O-CB 3.46Å; Q78-L82 WeakPolarHBondContact O-CG 3.32Å; Q78-L82 PolarHBondContact O-N 3.28Å; Q78-V97 HydrophobicContact CB-CG1 3.64Å; Q78-V97 HydrophobicContact CG-CG1 3.47Å; Q78-V97 VanDerWaalsContact CG-CG1 3.47Å; Q78-V97 PolarHBondContact NE2-O 3.23Å; Q78-L100 HydrophobicContact CB-CD1 4.47Å; Q78-L100 HydrophobicContact CG-CD1 3.92Å
79	L	89.3	Confident	81.4	Confident	73 Å²	73	80.7 Å²	80.7	38%	0.382	41%	0.406	S	S	.	.	H	α-helix	trans	-66.1	-41.4	178.4	-69.3	173.7	0	0	0	111.9	D75 P76 L82 N83	D75-L79 WeakPolarHBondContact O-CG 3.46Å; D75-L79 PolarHBondContact O-N 2.84Å; D75-L79 VanDerWaalsContact O-N 3.09Å; P76-L79 PolarHBondContact O-N 3.42Å; L79-L82 PolarHBondContact O-N 3.12Å; L79-N83 WeakPolarHBondContact O-CB 3.49Å; L79-N83 PolarHBondContact O-N 3.02Å
80	E	91.3	Very high	83.4	Confident	99 Å²	99	71.3 Å²	71.3	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-49.3	176.3	-172.1	-179.4	176.7	0	0	111.1	P76 D77 L82 N83 D84	P76-E80 WeakPolarHBondContact O-CB 3.42Å; P76-E80 PolarHBondContact O-N 3.31Å; D77-E80 PolarHBondContact O-N 3.21Å; E80-L82 PolarHBondContact O-N 3.04Å; E80-N83 PolarHBondContact O-N 3.13Å; E80-D84 PolarHBondContact O-N 3.25Å
81	Y	92.6	Very high	85.2	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-44.5	176.2	168.7	-102.8	0	0	0	112.7	D77 N83 D84 C85 P92 S93 F96 V97 P119 I120	D77-Y81 WeakPolarHBondContact O-CB 3.46Å; D77-Y81 PolarHBondContact O-N 2.83Å; Y81-N83 VanDerWaalsContact C-N 3.32Å; Y81-N83 PolarHBondContact O-N 3.14Å; Y81-D84 PolarHBondContact O-N 3.4Å; Y81-C85 WeakPolarHBondContact CE2-SG 3.17Å; Y81-C85 WeakPolarHBondContact O-CB 3.27Å; Y81-C85 PolarHBondContact O-N 3.25Å; Y81-C85 PolarHBondContact O-SG 2.92Å; Y81-P92 HydrophobicContact CE1-CB 3.95Å; Y81-S93 PolarHBondContact OH-N 3.4Å; Y81-F96 AromaticContact CD1-CD1 3.98Å; Y81-F96 HydrophobicContact CD1-CD1 3.98Å; Y81-F96 HydrophobicContact CD1-CE1 4.28Å; Y81-F96 AromaticContact CD2-CD1 3.7Å; Y81-F96 HydrophobicContact CD2-CD1 3.7Å; Y81-F96 AromaticContact CD2-CE1 3.35Å; Y81-F96 HydrophobicContact CD2-CE1 3.35Å; Y81-F96 HydrophobicContact CD2-CZ 4.49Å; Y81-F96 AromaticContact CE1-CD1 3.74Å; Y81-F96 HydrophobicContact CE1-CD1 3.74Å; Y81-F96 HydrophobicContact CE1-CE1 4.38Å; Y81-F96 AromaticContact CE2-CD1 3.44Å; Y81-F96 HydrophobicContact CE2-CD1 3.44Å; Y81-F96 VanDerWaalsContact CE2-CD1 3.44Å; Y81-F96 AromaticContact CE2-CE1 3.48Å; Y81-F96 HydrophobicContact CE2-CE1 3.48Å; Y81-F96 VanDerWaalsContact CE2-CE1 3.48Å; Y81-F96 AromaticContact CG-CD1 3.93Å; Y81-F96 HydrophobicContact CG-CD1 3.93Å; Y81-F96 AromaticContact CG-CE1 3.75Å; Y81-F96 HydrophobicContact CG-CE1 3.75Å; Y81-F96 AromaticContact CZ-CD1 3.44Å; Y81-F96 VanDerWaalsContact CZ-CD1 3.44Å; Y81-F96 AromaticContact CZ-CE1 3.99Å; Y81-V97 HydrophobicContact CD1-CG2 3.46Å; Y81-V97 VanDerWaalsContact CD1-CG2 3.46Å; Y81-V97 HydrophobicContact CE1-CG2 3.4Å; Y81-V97 VanDerWaalsContact CE1-CG2 3.4Å; Y81-P119 HydrophobicContact CD2-CB 4.14Å; Y81-P119 HydrophobicContact CE2-CB 3.92Å; Y81-P119 HydrophobicContact CE2-CG 4.33Å; Y81-I120 HydrophobicContact CE2-CG1 3.79Å
82	L	91.8	Very high	86.9	Confident	18 Å²	18	61.6 Å²	61.6	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-38.4	178.9	-72.1	173	0	0	0	111.7	L65 Y73 Q78 L79 E80 C85 R86 P92 V97	L65-L82 HydrophobicContact CB-CD2 4.19Å; Y73-L82 HydrophobicContact CD2-CD1 3.48Å; Y73-L82 VanDerWaalsContact CD2-CD1 3.48Å; Y73-L82 HydrophobicContact CE2-CD1 3.71Å; Q78-L82 WeakPolarHBondContact O-CB 3.46Å; Q78-L82 WeakPolarHBondContact O-CG 3.32Å; Q78-L82 PolarHBondContact O-N 3.28Å; L79-L82 PolarHBondContact O-N 3.12Å; E80-L82 PolarHBondContact O-N 3.04Å; L82-C85 PolarHBondContact O-N 3.19Å; L82-R86 WeakPolarHBondContact O-CB 3.39Å; L82-R86 PolarHBondContact O-N 3.4Å; L82-P92 HydrophobicContact CD2-CB 3.66Å; L82-P92 HydrophobicContact CD2-CG 3.79Å; L82-V97 HydrophobicContact CD2-CG2 4.33Å
83	N	91.5	Very high	88.2	Confident	72 Å²	72	56.6 Å²	56.6	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-43.1	175.7	-170.3	39.7	0	0	0	111.5	L79 E80 Y81 C85 R86 L87	L79-N83 WeakPolarHBondContact O-CB 3.49Å; L79-N83 PolarHBondContact O-N 3.02Å; E80-N83 PolarHBondContact O-N 3.13Å; Y81-N83 VanDerWaalsContact C-N 3.32Å; Y81-N83 PolarHBondContact O-N 3.14Å; N83-C85 VanDerWaalsContact C-N 3.34Å; N83-C85 PolarHBondContact O-N 2.87Å; N83-R86 WeakPolarHBondContact O-CB 3.43Å; N83-R86 PolarHBondContact O-N 2.88Å; N83-R86 VanDerWaalsContact O-N 3.12Å; N83-R86 PolarHBondContact OD1-NE 2.97Å; N83-R86 PolarHBondContact OD1-NH2 3.13Å; N83-L87 WeakPolarHBondContact O-CG 3.22Å; N83-L87 PolarHBondContact O-N 3.43Å
84	D	92.3	Very high	89.3	Confident	27 Å²	27	57.1 Å²	57.1	14%	0.144	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-39.3	176.4	-168.1	45.8	0	0	0	111.6	E80 Y81 R86 L87 R88 P119	E80-D84 PolarHBondContact O-N 3.25Å; Y81-D84 PolarHBondContact O-N 3.4Å; D84-R86 VanDerWaalsContact C-N 3.32Å; D84-R86 PolarHBondContact O-N 2.85Å; D84-L87 PolarHBondContact O-N 3.36Å; D84-R88 WeakPolarHBondContact O-CB 3.47Å; D84-R88 VanDerWaalsContact O-CG 3.3Å; D84-R88 WeakPolarHBondContact O-CG 3.39Å; D84-R88 PolarHBondContact O-N 3.4Å; D84-R88 IonicContact OD1-CZ 3.57Å; D84-R88 IonicContact OD1-NE 2.69Å; D84-R88 PolarHBondContact OD1-NE 3.09Å; D84-R88 IonicContact OD1-NH2 3.51Å; D84-R88 PolarHBondContact OD1-NH2 3.33Å; D84-R88 WeakPolarHBondContact OD2-CD 2.98Å; D84-R88 IonicContact OD2-CZ 3.71Å; D84-R88 IonicContact OD2-NE 2.67Å; D84-R88 PolarHBondContact OD2-NE 2.85Å; D84-R88 IonicContact OD2-NH2 2.76Å; D84-P119 HydrophobicContact CB-CB 4.25Å; D84-P119 WeakPolarHBondContact OD2-CA 3.35Å; D84-P119 WeakPolarHBondContact OD2-CB 3.34Å
85	C	92.4	Very high	90	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.4	-45.5	170.6	-73	0	0	0	0	111.9	Y81 L82 N83 R88 G89 A90 P92	Y81-C85 WeakPolarHBondContact CE2-SG 3.17Å; Y81-C85 WeakPolarHBondContact O-CB 3.27Å; Y81-C85 PolarHBondContact O-N 3.25Å; Y81-C85 PolarHBondContact O-SG 2.92Å; L82-C85 PolarHBondContact O-N 3.19Å; N83-C85 VanDerWaalsContact C-N 3.34Å; N83-C85 PolarHBondContact O-N 2.87Å; C85-R88 PolarHBondContact O-N 3.17Å; C85-G89 PolarHBondContact O-N 3.1Å; C85-A90 HydrophobicContact CB-CB 4.49Å; C85-A90 PolarHBondContact O-N 3.06Å; C85-P92 HydrophobicContact CB-CB 4.39Å; C85-P92 HydrophobicContact CB-CG 3.83Å
86	R	91.2	Very high	90.3	Very high	149 Å²	149	54 Å²	54	56%	0.562	29%	0.286	S	S	*	.	H	α-helix	trans	-62.1	-47.8	178.6	-174	-176.4	66.8	102.9	0.7	111.4	L66 L82 N83 D84 R88 G89	L66-R86 HydrophobicContact CD2-CB 3.95Å; L66-R86 HydrophobicContact CD2-CG 4.48Å; L82-R86 WeakPolarHBondContact O-CB 3.39Å; L82-R86 PolarHBondContact O-N 3.4Å; N83-R86 WeakPolarHBondContact O-CB 3.43Å; N83-R86 PolarHBondContact O-N 2.88Å; N83-R86 VanDerWaalsContact O-N 3.12Å; N83-R86 PolarHBondContact OD1-NE 2.97Å; N83-R86 PolarHBondContact OD1-NH2 3.13Å; D84-R86 VanDerWaalsContact C-N 3.32Å; D84-R86 PolarHBondContact O-N 2.85Å; R86-R88 VanDerWaalsContact C-N 3.29Å; R86-R88 PolarHBondContact O-N 3.31Å; R86-G89 PolarHBondContact O-N 3.44Å
87	L	91.8	Very high	90.4	Very high	120 Å²	120	49.7 Å²	49.7	63%	0.628	26%	0.257	S	S	*	.	H	α-helix	trans	-62	-36.7	179.4	-70.1	173.3	0	0	0	112.1	N83 D84	N83-L87 WeakPolarHBondContact O-CG 3.22Å; N83-L87 PolarHBondContact O-N 3.43Å; D84-L87 PolarHBondContact O-N 3.36Å
88	R	90.7	Very high	90.5	Very high	116 Å²	116	54.2 Å²	54.2	44%	0.438	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.3	-179.9	-62.9	177.6	-171.6	-87.6	2.7	114.2	D84 C85 R86 A90	D84-R88 WeakPolarHBondContact O-CB 3.47Å; D84-R88 VanDerWaalsContact O-CG 3.3Å; D84-R88 WeakPolarHBondContact O-CG 3.39Å; D84-R88 PolarHBondContact O-N 3.4Å; D84-R88 IonicContact OD1-CZ 3.57Å; D84-R88 IonicContact OD1-NE 2.69Å; D84-R88 PolarHBondContact OD1-NE 3.09Å; D84-R88 IonicContact OD1-NH2 3.51Å; D84-R88 PolarHBondContact OD1-NH2 3.33Å; D84-R88 WeakPolarHBondContact OD2-CD 2.98Å; D84-R88 IonicContact OD2-CZ 3.71Å; D84-R88 IonicContact OD2-NE 2.67Å; D84-R88 PolarHBondContact OD2-NE 2.85Å; D84-R88 IonicContact OD2-NH2 2.76Å; C85-R88 PolarHBondContact O-N 3.17Å; R86-R88 VanDerWaalsContact C-N 3.29Å; R86-R88 PolarHBondContact O-N 3.31Å; R88-A90 PolarHBondContact O-N 3.09Å
89	G	89.2	Confident	90.7	Very high	65 Å²	65	54.8 Å²	54.8	67%	0.67	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	27.6	-174	0	0	0	0	0	113.5	C85 R86	C85-G89 PolarHBondContact O-N 3.1Å; R86-G89 PolarHBondContact O-N 3.44Å
90	A	89.5	Confident	90.7	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-92.1	140.8	179.2	0	0	0	0	0	110.7	C85 R88 P92 K115 P119	C85-A90 HydrophobicContact CB-CB 4.49Å; C85-A90 PolarHBondContact O-N 3.06Å; R88-A90 PolarHBondContact O-N 3.09Å; A90-P92 WeakPolarHBondContact O-CD 3.22Å; A90-K115 WeakPolarHBondContact CB-O 3.4Å; A90-P119 HydrophobicContact CB-CG 4.07Å
91	L	87.3	Confident	90.6	Very high	69 Å²	69	51 Å²	51	36%	0.361	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-75.7	120.2	172.9	-73.7	170.5	0	0	0	109.8	C62	C62-L91 HydrophobicContact CB-CD2 4.1Å
92	P	88.5	Confident	90.7	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.019	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-63	143.1	-179.7	-18.5	28.3	0	0	0	112.6	C62 L65 L66 Y81 L82 C85 A90 G94	C62-P92 PolarHBondContact SG-O 3.01Å; C62-P92 VanDerWaalsContact SG-O 3.41Å; L65-P92 HydrophobicContact CB-CG 4.47Å; L65-P92 HydrophobicContact CD1-CB 4.22Å; L66-P92 HydrophobicContact CD2-CG 3.75Å; L66-P92 HydrophobicContact CG-CG 3.98Å; Y81-P92 HydrophobicContact CE1-CB 3.95Å; L82-P92 HydrophobicContact CD2-CB 3.66Å; L82-P92 HydrophobicContact CD2-CG 3.79Å; C85-P92 HydrophobicContact CB-CB 4.39Å; C85-P92 HydrophobicContact CB-CG 3.83Å; A90-P92 WeakPolarHBondContact O-CD 3.22Å; P92-G94 PolarHBondContact O-N 3.31Å
93	S	89	Confident	90.9	Very high	28 Å²	28	59.4 Å²	59.4	20%	0.196	29%	0.294	C	S	.	.			trans	-87.6	104.5	171.9	177	0	0	0	0	110	Y81 Y95 F96 V97	Y81-S93 PolarHBondContact OH-N 3.4Å; S93-Y95 PolarHBondContact O-N 2.95Å; S93-Y95 VanDerWaalsContact O-N 3.11Å; S93-F96 WeakPolarHBondContact O-CB 3.27Å; S93-F96 PolarHBondContact O-N 2.87Å; S93-F96 PolarHBondContact OG-N 3.07Å; S93-V97 WeakPolarHBondContact O-CG2 3.22Å; S93-V97 PolarHBondContact O-N 3.24Å; S93-V97 VanDerWaalsContact O-N 3.11Å
94	G	88.3	Confident	91.2	Very high	25 Å²	25	59.2 Å²	59.2	26%	0.258	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-15	175.6	0	0	0	0	0	114.2	P92 R98	P92-G94 PolarHBondContact O-N 3.31Å; G94-R98 WeakPolarHBondContact O-CG 3.22Å; G94-R98 PolarHBondContact O-NE 3.29Å
95	Y	91.2	Very high	91.3	Very high	94 Å²	94	57.9 Å²	57.9	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-72.6	-54.1	167.5	-177.9	-88.6	0	0	0	109.9	S93 V97 R98 H99 L105 S106 L107	S93-Y95 PolarHBondContact O-N 2.95Å; S93-Y95 VanDerWaalsContact O-N 3.11Å; Y95-V97 VanDerWaalsContact C-N 3.3Å; Y95-V97 PolarHBondContact O-N 3.33Å; Y95-R98 PolarHBondContact O-N 3.32Å; Y95-H99 AromaticContact CD1-CD2 3.78Å; Y95-H99 AromaticContact CD2-CD2 3.61Å; Y95-H99 AromaticContact CD2-NE2 3.71Å; Y95-H99 HydrophobicContact CE1-CB 4.46Å; Y95-H99 AromaticContact CE1-CD2 3.55Å; Y95-H99 AromaticContact CE2-CD2 3.37Å; Y95-H99 WeakPolarHBondContact CE2-CD2 3.12Å; Y95-H99 AromaticContact CE2-NE2 3.25Å; Y95-H99 WeakPolarHBondContact CE2-NE2 3.4Å; Y95-H99 AromaticContact CG-CD2 3.81Å; Y95-H99 AromaticContact CZ-CD2 3.33Å; Y95-H99 AromaticContact CZ-NE2 3.57Å; Y95-H99 PolarHBondContact O-CD2 3.22Å; Y95-H99 PolarHBondContact O-N 3.5Å; Y95-L105 HydrophobicContact CE1-CD1 4.4Å; Y95-S106 WeakPolarHBondContact CE1-O 3.41Å; Y95-L107 HydrophobicContact CD1-CD2 3.78Å; Y95-L107 HydrophobicContact CE1-CD2 4.14Å
96	F	91.9	Very high	91.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-52	-48.9	179.7	-179	-108.1	0	0	0	111.8	Y81 S93 R98 H99 L100 L105 L107 I120 I124	Y81-F96 AromaticContact CD1-CD1 3.98Å; Y81-F96 HydrophobicContact CD1-CD1 3.98Å; Y81-F96 HydrophobicContact CD1-CE1 4.28Å; Y81-F96 AromaticContact CD2-CD1 3.7Å; Y81-F96 HydrophobicContact CD2-CD1 3.7Å; Y81-F96 AromaticContact CD2-CE1 3.35Å; Y81-F96 HydrophobicContact CD2-CE1 3.35Å; Y81-F96 HydrophobicContact CD2-CZ 4.49Å; Y81-F96 AromaticContact CE1-CD1 3.74Å; Y81-F96 HydrophobicContact CE1-CD1 3.74Å; Y81-F96 HydrophobicContact CE1-CE1 4.38Å; Y81-F96 AromaticContact CE2-CD1 3.44Å; Y81-F96 HydrophobicContact CE2-CD1 3.44Å; Y81-F96 VanDerWaalsContact CE2-CD1 3.44Å; Y81-F96 AromaticContact CE2-CE1 3.48Å; Y81-F96 HydrophobicContact CE2-CE1 3.48Å; Y81-F96 VanDerWaalsContact CE2-CE1 3.48Å; Y81-F96 AromaticContact CG-CD1 3.93Å; Y81-F96 HydrophobicContact CG-CD1 3.93Å; Y81-F96 AromaticContact CG-CE1 3.75Å; Y81-F96 HydrophobicContact CG-CE1 3.75Å; Y81-F96 AromaticContact CZ-CD1 3.44Å; Y81-F96 VanDerWaalsContact CZ-CD1 3.44Å; Y81-F96 AromaticContact CZ-CE1 3.99Å; S93-F96 WeakPolarHBondContact O-CB 3.27Å; S93-F96 PolarHBondContact O-N 2.87Å; S93-F96 PolarHBondContact OG-N 3.07Å; F96-R98 VanDerWaalsContact C-N 3.25Å; F96-R98 PolarHBondContact O-N 2.89Å; F96-H99 CarbonylContact O-C 3.49Å; F96-H99 PolarHBondContact O-N 3.16Å; F96-L100 HydrophobicContact CD1-CD1 4.47Å; F96-L100 HydrophobicContact CD1-CD2 4.15Å; F96-L100 HydrophobicContact CD1-CG 4.22Å; F96-L100 HydrophobicContact CE1-CD1 4.25Å; F96-L100 HydrophobicContact CE1-CD2 3.44Å; F96-L100 VanDerWaalsContact CE1-CD2 3.44Å; F96-L100 HydrophobicContact CE1-CG 3.97Å; F96-L100 HydrophobicContact CE2-CD2 3.95Å; F96-L100 HydrophobicContact CZ-CD2 3.33Å; F96-L100 HydrophobicContact CZ-CG 4.23Å; F96-L100 WeakPolarHBondContact O-CG 3.36Å; F96-L100 PolarHBondContact O-N 3.46Å; F96-L100 VanDerWaalsContact O-N 3.09Å; F96-L105 HydrophobicContact CD2-CD1 4.12Å; F96-L105 HydrophobicContact CD2-CD2 3.64Å; F96-L105 HydrophobicContact CE2-CD2 3.44Å; F96-L105 VanDerWaalsContact CE2-CD2 3.44Å; F96-L107 HydrophobicContact CD2-CD1 4.28Å; F96-I120 HydrophobicContact CD1-CG1 4.2Å; F96-I120 HydrophobicContact CD2-CG1 4.38Å; F96-I120 HydrophobicContact CD2-CG2 4.07Å; F96-I120 HydrophobicContact CE1-CG1 4.32Å; F96-I120 HydrophobicContact CE2-CB 4.44Å; F96-I120 HydrophobicContact CE2-CG2 3.71Å; F96-I120 HydrophobicContact CG-CG1 4.2Å; F96-I120 HydrophobicContact CZ-CB 4.35Å; F96-I120 HydrophobicContact CZ-CG1 4.48Å; F96-I120 HydrophobicContact CZ-CG2 4.03Å; F96-I124 HydrophobicContact CE2-CD1 4.09Å; F96-I124 HydrophobicContact CE2-CG1 3.88Å; F96-I124 HydrophobicContact CZ-CG1 4.02Å
97	V	90.9	Very high	91.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-34.2	-178.4	-167.5	0	0	0	0	113.3	Y73 Q78 Y81 L82 S93 Y95 H99 L100	Y73-V97 HydrophobicContact CD1-CG1 4.22Å; Y73-V97 HydrophobicContact CD2-CG1 4.4Å; Y73-V97 HydrophobicContact CE1-CB 4.38Å; Y73-V97 HydrophobicContact CE1-CG1 3.47Å; Y73-V97 VanDerWaalsContact CE1-CG1 3.47Å; Y73-V97 HydrophobicContact CE2-CB 4.47Å; Y73-V97 HydrophobicContact CE2-CG1 3.68Å; Y73-V97 VanDerWaalsContact OH-CB 3.23Å; Y73-V97 WeakPolarHBondContact OH-CB 3.02Å; Y73-V97 WeakPolarHBondContact OH-CG1 3.26Å; Q78-V97 HydrophobicContact CB-CG1 3.64Å; Q78-V97 HydrophobicContact CG-CG1 3.47Å; Q78-V97 VanDerWaalsContact CG-CG1 3.47Å; Q78-V97 PolarHBondContact NE2-O 3.23Å; Y81-V97 HydrophobicContact CD1-CG2 3.46Å; Y81-V97 VanDerWaalsContact CD1-CG2 3.46Å; Y81-V97 HydrophobicContact CE1-CG2 3.4Å; Y81-V97 VanDerWaalsContact CE1-CG2 3.4Å; L82-V97 HydrophobicContact CD2-CG2 4.33Å; S93-V97 WeakPolarHBondContact O-CG2 3.22Å; S93-V97 PolarHBondContact O-N 3.24Å; S93-V97 VanDerWaalsContact O-N 3.11Å; Y95-V97 VanDerWaalsContact C-N 3.3Å; Y95-V97 PolarHBondContact O-N 3.33Å; V97-H99 VanDerWaalsContact C-N 3.33Å; V97-L100 HydrophobicContact CG1-CD1 4.4Å
98	R	90.7	Very high	91.5	Very high	144 Å²	144	50.9 Å²	50.9	54%	0.543	26%	0.264	S	S	.	.	H	α-helix	trans	-75.6	-21.3	178.4	-72.6	-175.6	-66.4	159.3	7.7	113.7	G94 Y95 F96	G94-R98 WeakPolarHBondContact O-CG 3.22Å; G94-R98 PolarHBondContact O-NE 3.29Å; Y95-R98 PolarHBondContact O-N 3.32Å; F96-R98 VanDerWaalsContact C-N 3.25Å; F96-R98 PolarHBondContact O-N 2.89Å
99	H	92.6	Very high	91.4	Very high	42 Å²	42	51.4 Å²	51.4	19%	0.194	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	14.5	-174	-65.6	-72.2	0	0	0	112.4	Y95 F96 V97 K101 D102 L105	Y95-H99 AromaticContact CD1-CD2 3.78Å; Y95-H99 AromaticContact CD2-CD2 3.61Å; Y95-H99 AromaticContact CD2-NE2 3.71Å; Y95-H99 HydrophobicContact CE1-CB 4.46Å; Y95-H99 AromaticContact CE1-CD2 3.55Å; Y95-H99 AromaticContact CE2-CD2 3.37Å; Y95-H99 WeakPolarHBondContact CE2-CD2 3.12Å; Y95-H99 AromaticContact CE2-NE2 3.25Å; Y95-H99 WeakPolarHBondContact CE2-NE2 3.4Å; Y95-H99 AromaticContact CG-CD2 3.81Å; Y95-H99 AromaticContact CZ-CD2 3.33Å; Y95-H99 AromaticContact CZ-NE2 3.57Å; Y95-H99 PolarHBondContact O-CD2 3.22Å; Y95-H99 PolarHBondContact O-N 3.5Å; F96-H99 CarbonylContact O-C 3.49Å; F96-H99 PolarHBondContact O-N 3.16Å; V97-H99 VanDerWaalsContact C-N 3.33Å; H99-K101 PolarHBondContact O-N 3.23Å; H99-D102 IonicContact CE1-OD2 3.4Å; H99-D102 IonicContact CG-OD2 3.62Å; H99-D102 IonicContact ND1-OD2 3.89Å; H99-D102 PolarHBondContact ND1-OD2 3.32Å; H99-D102 PolarHBondContact O-N 3.44Å; H99-L105 HydrophobicContact CB-CD1 3.92Å
100	L	90.2	Very high	91.2	Very high	3 Å²	3	50 Å²	50	2%	0.016	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.3	179.7	-92.4	171.4	0	0	0	113.9	Q78 F96 V97 S123	Q78-L100 HydrophobicContact CB-CD1 4.47Å; Q78-L100 HydrophobicContact CG-CD1 3.92Å; F96-L100 HydrophobicContact CD1-CD1 4.47Å; F96-L100 HydrophobicContact CD1-CD2 4.15Å; F96-L100 HydrophobicContact CD1-CG 4.22Å; F96-L100 HydrophobicContact CE1-CD1 4.25Å; F96-L100 HydrophobicContact CE1-CD2 3.44Å; F96-L100 VanDerWaalsContact CE1-CD2 3.44Å; F96-L100 HydrophobicContact CE1-CG 3.97Å; F96-L100 HydrophobicContact CE2-CD2 3.95Å; F96-L100 HydrophobicContact CZ-CD2 3.33Å; F96-L100 HydrophobicContact CZ-CG 4.23Å; F96-L100 WeakPolarHBondContact O-CG 3.36Å; F96-L100 PolarHBondContact O-N 3.46Å; F96-L100 VanDerWaalsContact O-N 3.09Å; V97-L100 HydrophobicContact CG1-CD1 4.4Å; L100-S123 VanDerWaalsContact CD2-OG 3.26Å; L100-S123 WeakPolarHBondContact CD2-OG 3.43Å
101	K	90	Very high	90.7	Very high	90 Å²	90	53.4 Å²	53.4	39%	0.391	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.7	-178.7	-59.1	-64	-175.1	175	0	113.1	D75 D77 H99	D75-K101 WeakPolarHBondContact OD1-CE 3.46Å; D75-K101 IonicContact OD1-NZ 3.69Å; D75-K101 PolarHBondContact OD1-NZ 2.71Å; D75-K101 WeakPolarHBondContact OD2-CE 3.48Å; D75-K101 IonicContact OD2-NZ 2.82Å; D75-K101 PolarHBondContact OD2-NZ 3.43Å; D77-K101 VanDerWaalsContact CG-NZ 3.25Å; D77-K101 IonicContact OD1-NZ 2.82Å; D77-K101 WeakPolarHBondContact OD2-CE 3.45Å; D77-K101 IonicContact OD2-NZ 3.68Å; D77-K101 PolarHBondContact OD2-NZ 3.5Å; H99-K101 PolarHBondContact O-N 3.23Å
102	D	94.6	Very high	90.1	Very high	68 Å²	68	50.5 Å²	50.5	36%	0.364	25%	0.252	S	S	.	.	S	Bend	trans	-75.5	147.3	179.3	-68	2.1	0	0	0	109.6	H99 S104 I130	H99-D102 IonicContact CE1-OD2 3.4Å; H99-D102 IonicContact CG-OD2 3.62Å; H99-D102 IonicContact ND1-OD2 3.89Å; H99-D102 PolarHBondContact ND1-OD2 3.32Å; H99-D102 PolarHBondContact O-N 3.44Å; D102-S104 PolarHBondContact O-N 2.91Å; D102-I130 WeakPolarHBondContact O-CG1 3.45Å
103	E	95.3	Very high	89.6	Confident	129 Å²	129	52.4 Å²	52.4	60%	0.603	27%	0.272	S	S	*	.	S	Bend	trans	-65.4	-31.3	173.4	-176.8	178.3	-176.7	0	0	111.9	N129 T131 Q132	E103-N129 WeakPolarHBondContact CA-O 3.3Å; E103-T131 HydrophobicContact CG-CG2 4.12Å; E103-T131 WeakPolarHBondContact CG-OG1 3.35Å; E103-T131 PolarHBondContact O-N 3.03Å; E103-T131 PolarHBondContact OE1-OG1 3.22Å; E103-T131 VanDerWaalsContact OE1-OG1 3.11Å; E103-Q132 PolarHBondContact O-N 3.03Å
104	S	96.8	Very high	89.3	Confident	68 Å²	68	54 Å²	54	48%	0.476	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.1	-177.9	169	0	0	0	0	112.1	D102	D102-S104 PolarHBondContact O-N 2.91Å
105	L	95.9	Very high	89.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.8	175.8	179	65.5	0	0	0	111.2	Y95 F96 H99 L107 I124 I130 Q132 L133 D134	Y95-L105 HydrophobicContact CE1-CD1 4.4Å; F96-L105 HydrophobicContact CD2-CD1 4.12Å; F96-L105 HydrophobicContact CD2-CD2 3.64Å; F96-L105 HydrophobicContact CE2-CD2 3.44Å; F96-L105 VanDerWaalsContact CE2-CD2 3.44Å; H99-L105 HydrophobicContact CB-CD1 3.92Å; L105-L107 HydrophobicContact CD1-CD2 4.17Å; L105-L107 HydrophobicContact CD1-CG 4.28Å; L105-L107 HydrophobicContact CD2-CD1 4.26Å; L105-L107 HydrophobicContact CD2-CG 4.42Å; L105-L107 HydrophobicContact CG-CG 4.18Å; L105-I124 HydrophobicContact CD2-CD1 3.88Å; L105-I124 HydrophobicContact CD2-CG1 4.24Å; L105-I130 HydrophobicContact CB-CD1 4.16Å; L105-I130 HydrophobicContact CB-CG1 4.33Å; L105-I130 HydrophobicContact CB-CG2 4.03Å; L105-I130 HydrophobicContact CD2-CD1 3.84Å; L105-Q132 PolarHBondContact N-O 3.45Å; L105-L133 HydrophobicContact CB-CD1 4.43Å; L105-L133 HydrophobicContact CD2-CD1 4.06Å; L105-L133 HydrophobicContact CG-CD1 4.36Å; L105-D134 PolarHBondContact O-N 3.01Å
106	S	95.7	Very high	89	Confident	36 Å²	36	59.5 Å²	59.5	25%	0.252	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.6	176.6	162	0	0	0	0	111.5	Y95 K108	Y95-S106 WeakPolarHBondContact CE1-O 3.41Å; S106-K108 WeakPolarHBondContact OG-CE 3.4Å; S106-K108 WeakPolarHBondContact OG-CG 3.06Å
107	L	93.3	Very high	88.9	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	30%	0.298	C	S	.	.			trans	-105.9	26.1	173.9	-59.6	175.3	0	0	0	112.3	Y95 F96 L105 S110 L112 I120 D134 L135 S138	Y95-L107 HydrophobicContact CD1-CD2 3.78Å; Y95-L107 HydrophobicContact CE1-CD2 4.14Å; F96-L107 HydrophobicContact CD2-CD1 4.28Å; L105-L107 HydrophobicContact CD1-CD2 4.17Å; L105-L107 HydrophobicContact CD1-CG 4.28Å; L105-L107 HydrophobicContact CD2-CD1 4.26Å; L105-L107 HydrophobicContact CD2-CG 4.42Å; L105-L107 HydrophobicContact CG-CG 4.18Å; L107-S110 WeakPolarHBondContact O-CB 3.3Å; L107-S110 PolarHBondContact O-N 3.37Å; L107-S110 PolarHBondContact O-OG 2.84Å; L107-L112 HydrophobicContact CB-CD1 4.09Å; L107-L112 HydrophobicContact CD1-CD1 3.98Å; L107-I120 HydrophobicContact CD1-CD1 4.24Å; L107-I120 HydrophobicContact CD1-CG2 3.84Å; L107-D134 PolarHBondContact N-O 3.45Å; L107-L135 HydrophobicContact CB-CD2 4.07Å; L107-L135 HydrophobicContact CD1-CD2 4.08Å; L107-S138 PolarHBondContact O-OG 3.25Å
108	K	90.4	Very high	89	Confident	85 Å²	85	62.9 Å²	62.9	37%	0.37	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	142	-178.6	-56.2	-176.5	-151.7	-138	0	113	S106 S110 D134 T136	S106-K108 WeakPolarHBondContact OG-CE 3.4Å; S106-K108 WeakPolarHBondContact OG-CG 3.06Å; K108-S110 PolarHBondContact O-N 3.11Å; K108-D134 WeakPolarHBondContact CE-OD2 3.37Å; K108-D134 HydrophobicContact CG-CB 4.27Å; K108-D134 VanDerWaalsContact CG-OD1 3.29Å; K108-D134 WeakPolarHBondContact CG-OD1 3.17Å; K108-D134 IonicContact NZ-OD2 2.96Å; K108-D134 PolarHBondContact NZ-OD2 3.48Å; K108-T136 CarbonylContact C-O 3.4Å; K108-T136 VanDerWaalsContact CA-O 3.24Å; K108-T136 WeakPolarHBondContact CA-O 3.45Å
109	Y	88.1	Confident	89.1	Confident	126 Å²	126	56.1 Å²	56.1	49%	0.494	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	17.4	176.5	-47.1	-72.6	0	0	0	113.9	T136 N137	Y109-T136 PolarHBondContact N-O 3.15Å; Y109-N137 VanDerWaalsContact CA-O 3.22Å; Y109-N137 WeakPolarHBondContact CA-O 3.42Å; Y109-N137 HydrophobicContact CD1-CB 3.59Å; Y109-N137 HydrophobicContact CE1-CB 3.8Å; Y109-N137 PolarHBondContact N-O 3.11Å
110	S	84.8	Confident	89.2	Confident	36 Å²	36	54.1 Å²	54.1	25%	0.252	28%	0.277	S	S	.	.			trans	-85	123.8	176.4	-62.5	0	0	0	0	108.7	L107 K108 L112 S138	L107-S110 WeakPolarHBondContact O-CB 3.3Å; L107-S110 PolarHBondContact O-N 3.37Å; L107-S110 PolarHBondContact O-OG 2.84Å; K108-S110 PolarHBondContact O-N 3.11Å; S110-L112 PolarHBondContact O-N 2.82Å; S110-S138 CarbonylContact O-C 3.29Å; S110-S138 WeakPolarHBondContact O-CA 3.3Å
111	V	78.8	Confident	89.4	Confident	75 Å²	75	54.1 Å²	54.1	46%	0.455	28%	0.277	S	S	.	.			trans	-74.2	85.4	172	-173.8	0	0	0	0	108.1	F45 G113	F45-V111 HydrophobicContact CE1-CG1 4.49Å; F45-V111 HydrophobicContact CE1-CG2 4.37Å; F45-V111 HydrophobicContact CE2-CG2 4.31Å; F45-V111 HydrophobicContact CZ-CG1 4.21Å; F45-V111 HydrophobicContact CZ-CG2 3.67Å; V111-G113 PolarHBondContact O-N 2.85Å
112	L	76.1	Confident	89.5	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.042	27%	0.273	C	S	.	.			trans	-96.7	82.8	-179.5	-56.7	177	0	0	0	107.6	L107 S110 K116 L117 I120 L135	L107-L112 HydrophobicContact CB-CD1 4.09Å; L107-L112 HydrophobicContact CD1-CD1 3.98Å; S110-L112 PolarHBondContact O-N 2.82Å; L112-K116 HydrophobicContact CD2-CB 4.48Å; L112-L117 HydrophobicContact CB-CD1 4.33Å; L112-L117 HydrophobicContact CB-CD2 3.43Å; L112-L117 VanDerWaalsContact CB-CD2 3.43Å; L112-L117 HydrophobicContact CB-CG 3.62Å; L112-L117 HydrophobicContact CD1-CD2 3.59Å; L112-L117 HydrophobicContact CG-CD2 4.12Å; L112-L117 VanDerWaalsContact O-CD1 3.23Å; L112-L117 WeakPolarHBondContact O-CD1 3.42Å; L112-L117 WeakPolarHBondContact O-CG 3.44Å; L112-I120 HydrophobicContact CD1-CD1 4.36Å; L112-I120 HydrophobicContact CD2-CD1 3.95Å; L112-L135 HydrophobicContact CD1-CD2 4.3Å
113	G	77.8	Confident	89.5	Confident	42 Å²	42	49.3 Å²	49.3	43%	0.433	26%	0.26	S	S	.	.			trans	-58.8	157.4	168.1	0	0	0	0	0	110.6	V111 K115 K116 L117	V111-G113 PolarHBondContact O-N 2.85Å; G113-K115 PolarHBondContact O-N 3.03Å; G113-K116 PolarHBondContact O-N 3.32Å; G113-L117 PolarHBondContact O-N 3.25Å; G113-L117 VanDerWaalsContact O-N 3.14Å
114	L	82.6	Confident	89.5	Confident	61 Å²	61	43.2 Å²	43.2	32%	0.319	23%	0.231	S	C	.	.	H	α-helix	trans	-47.7	-37.6	-175.5	-172.3	66.1	0	0	0	113.9	K116 L117 K118 C144	L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 PolarHBondContact O-N 2.75Å; L114-L117 PolarHBondContact O-N 3.22Å; L114-K118 WeakPolarHBondContact O-CG 3.45Å; L114-K118 PolarHBondContact O-N 2.96Å; L114-K118 VanDerWaalsContact O-N 3.15Å; L114-C144 HydrophobicContact CD1-CB 4Å
115	K	85.7	Confident	89.3	Confident	156 Å²	156	40.5 Å²	40.5	68%	0.678	21%	0.213	S	C	*	.	H	α-helix	trans	-59.8	-37.5	176.7	-67.2	-172	178.3	-175.5	0	113.4	A90 G113 P119	A90-K115 WeakPolarHBondContact CB-O 3.4Å; G113-K115 PolarHBondContact O-N 3.03Å; K115-P119 WeakPolarHBondContact O-CD 3.48Å
116	K	86.9	Confident	89	Confident	80 Å²	80	45 Å²	45	35%	0.348	24%	0.237	S	C	.	.	H	α-helix	trans	-82.4	-32.8	177.5	-72.4	-175.3	176.9	177.6	0	112.5	L112 G113 L114 P119 I120	L112-K116 HydrophobicContact CD2-CB 4.48Å; G113-K116 PolarHBondContact O-N 3.32Å; L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 PolarHBondContact O-N 2.75Å; K116-P119 WeakPolarHBondContact O-CD 3.42Å; K116-P119 WeakPolarHBondContact O-CG 3.16Å; K116-I120 WeakPolarHBondContact O-CD1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.34Å
117	L	90.3	Very high	88.7	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-42	179.8	-75.3	172.5	0	0	0	112.3	L112 G113 L114 I120 F121 L140 C144	L112-L117 HydrophobicContact CB-CD1 4.33Å; L112-L117 HydrophobicContact CB-CD2 3.43Å; L112-L117 VanDerWaalsContact CB-CD2 3.43Å; L112-L117 HydrophobicContact CB-CG 3.62Å; L112-L117 HydrophobicContact CD1-CD2 3.59Å; L112-L117 HydrophobicContact CG-CD2 4.12Å; L112-L117 VanDerWaalsContact O-CD1 3.23Å; L112-L117 WeakPolarHBondContact O-CD1 3.42Å; L112-L117 WeakPolarHBondContact O-CG 3.44Å; G113-L117 PolarHBondContact O-N 3.25Å; G113-L117 VanDerWaalsContact O-N 3.14Å; L114-L117 PolarHBondContact O-N 3.22Å; L117-I120 WeakPolarHBondContact O-CB 3.36Å; L117-I120 PolarHBondContact O-N 3.35Å; L117-I120 VanDerWaalsContact O-N 3.1Å; L117-F121 HydrophobicContact CB-CD2 4.24Å; L117-F121 HydrophobicContact CB-CE2 4.04Å; L117-F121 HydrophobicContact CB-CZ 4.39Å; L117-F121 HydrophobicContact CD1-CE2 4.43Å; L117-F121 HydrophobicContact CD1-CZ 4.47Å; L117-F121 HydrophobicContact CD2-CE1 4Å; L117-F121 HydrophobicContact CD2-CE2 4.26Å; L117-F121 HydrophobicContact CD2-CZ 3.75Å; L117-F121 HydrophobicContact CG-CE2 4.48Å; L117-F121 HydrophobicContact CG-CZ 4.43Å; L117-F121 WeakPolarHBondContact O-CB 3.47Å; L117-F121 WeakPolarHBondContact O-CG 3.5Å; L117-F121 PolarHBondContact O-N 3.32Å; L117-L140 HydrophobicContact CD1-CD2 3.51Å; L117-L140 HydrophobicContact CD2-CD2 4Å; L117-L140 HydrophobicContact CG-CD2 4.42Å; L117-C144 HydrophobicContact CD1-CB 4Å
118	K	91.9	Very high	88.5	Confident	67 Å²	67	49.3 Å²	49.3	29%	0.291	26%	0.256	S	S	.	.	H	α-helix	trans	-50.4	-54.6	-178.7	-75.9	178.9	174.9	-169.6	0	113.9	L114 I120 F121 S122 H147	L114-K118 WeakPolarHBondContact O-CG 3.45Å; L114-K118 PolarHBondContact O-N 2.96Å; L114-K118 VanDerWaalsContact O-N 3.15Å; K118-I120 VanDerWaalsContact C-N 3.34Å; K118-I120 PolarHBondContact O-N 3Å; K118-F121 PolarHBondContact O-N 3.04Å; K118-S122 WeakPolarHBondContact O-CB 3.36Å; K118-S122 PolarHBondContact O-N 2.77Å; K118-H147 WeakPolarHBondContact CE-NE2 3.23Å
119	P	93.2	Very high	88.5	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-68.9	-31.3	178.4	26.5	-34.9	0	0	0	113.6	Y81 D84 A90 K115 K116 S123	Y81-P119 HydrophobicContact CD2-CB 4.14Å; Y81-P119 HydrophobicContact CE2-CB 3.92Å; Y81-P119 HydrophobicContact CE2-CG 4.33Å; D84-P119 HydrophobicContact CB-CB 4.25Å; D84-P119 WeakPolarHBondContact OD2-CA 3.35Å; D84-P119 WeakPolarHBondContact OD2-CB 3.34Å; A90-P119 HydrophobicContact CB-CG 4.07Å; K115-P119 WeakPolarHBondContact O-CD 3.48Å; K116-P119 WeakPolarHBondContact O-CD 3.42Å; K116-P119 WeakPolarHBondContact O-CG 3.16Å; P119-S123 WeakPolarHBondContact O-CB 3.26Å; P119-S123 PolarHBondContact O-N 3.35Å
120	I	94	Very high	88.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-50.1	174.6	-70.3	173	0	0	0	109.9	Y81 F96 L107 L112 K116 L117 K118 S123 I124	Y81-I120 HydrophobicContact CE2-CG1 3.79Å; F96-I120 HydrophobicContact CD1-CG1 4.2Å; F96-I120 HydrophobicContact CD2-CG1 4.38Å; F96-I120 HydrophobicContact CD2-CG2 4.07Å; F96-I120 HydrophobicContact CE1-CG1 4.32Å; F96-I120 HydrophobicContact CE2-CB 4.44Å; F96-I120 HydrophobicContact CE2-CG2 3.71Å; F96-I120 HydrophobicContact CG-CG1 4.2Å; F96-I120 HydrophobicContact CZ-CB 4.35Å; F96-I120 HydrophobicContact CZ-CG1 4.48Å; F96-I120 HydrophobicContact CZ-CG2 4.03Å; L107-I120 HydrophobicContact CD1-CD1 4.24Å; L107-I120 HydrophobicContact CD1-CG2 3.84Å; L112-I120 HydrophobicContact CD1-CD1 4.36Å; L112-I120 HydrophobicContact CD2-CD1 3.95Å; K116-I120 WeakPolarHBondContact O-CD1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.34Å; L117-I120 WeakPolarHBondContact O-CB 3.36Å; L117-I120 PolarHBondContact O-N 3.35Å; L117-I120 VanDerWaalsContact O-N 3.1Å; K118-I120 VanDerWaalsContact C-N 3.34Å; K118-I120 PolarHBondContact O-N 3Å; I120-S123 PolarHBondContact O-N 3.43Å; I120-I124 HydrophobicContact CG2-CD1 3.69Å; I120-I124 HydrophobicContact CG2-CG1 4.45Å; I120-I124 VanDerWaalsContact O-CG1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.39Å; I120-I124 PolarHBondContact O-N 3.38Å
121	F	94.7	Very high	89.4	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-39.9	178.8	-70.6	-14.8	0	0	0	112.4	L117 K118 S123 I124 S125 L135 L140 H147 L148 M151	L117-F121 HydrophobicContact CB-CD2 4.24Å; L117-F121 HydrophobicContact CB-CE2 4.04Å; L117-F121 HydrophobicContact CB-CZ 4.39Å; L117-F121 HydrophobicContact CD1-CE2 4.43Å; L117-F121 HydrophobicContact CD1-CZ 4.47Å; L117-F121 HydrophobicContact CD2-CE1 4Å; L117-F121 HydrophobicContact CD2-CE2 4.26Å; L117-F121 HydrophobicContact CD2-CZ 3.75Å; L117-F121 HydrophobicContact CG-CE2 4.48Å; L117-F121 HydrophobicContact CG-CZ 4.43Å; L117-F121 WeakPolarHBondContact O-CB 3.47Å; L117-F121 WeakPolarHBondContact O-CG 3.5Å; L117-F121 PolarHBondContact O-N 3.32Å; K118-F121 PolarHBondContact O-N 3.04Å; F121-S123 VanDerWaalsContact C-N 3.3Å; F121-S123 PolarHBondContact O-N 3.04Å; F121-I124 PolarHBondContact O-N 3.35Å; F121-S125 PolarHBondContact O-N 3.24Å; F121-S125 PolarHBondContact O-OG 3.29Å; F121-L135 HydrophobicContact CE1-CD1 3.89Å; F121-L135 HydrophobicContact CZ-CD1 4.24Å; F121-L140 HydrophobicContact CZ-CD2 4.31Å; F121-H147 HydrophobicContact CD2-CB 3.76Å; F121-H147 HydrophobicContact CE2-CB 4.27Å; F121-L148 HydrophobicContact CE1-CD1 4.3Å; F121-L148 HydrophobicContact CE2-CB 3.97Å; F121-L148 HydrophobicContact CZ-CB 4.17Å; F121-L148 HydrophobicContact CZ-CD1 4.05Å; F121-M151 HydrophobicContact CB-CB 3.99Å; F121-M151 HydrophobicContact CB-CG 4.28Å; F121-M151 HydrophobicContact CD1-CE 4.48Å; F121-M151 HydrophobicContact CG-CB 4.41Å; F121-M151 VanDerWaalsContact O-CG 3.27Å; F121-M151 WeakPolarHBondContact O-CG 3.48Å
122	S	93.2	Very high	90.3	Very high	43 Å²	43	40.8 Å²	40.8	30%	0.301	22%	0.218	S	C	.	.	H	α-helix	trans	-59.3	-43.3	173.7	-163.8	0	0	0	0	111.3	K118 S125	K118-S122 WeakPolarHBondContact O-CB 3.36Å; K118-S122 PolarHBondContact O-N 2.77Å; S122-S125 WeakPolarHBondContact O-CB 3.39Å; S122-S125 PolarHBondContact O-N 2.81Å
123	S	94	Very high	91.3	Very high	14 Å²	14	40.6 Å²	40.6	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-71	-37.8	179.4	179.3	0	0	0	0	112.7	L100 P119 I120 F121 S125 N126 S127	L100-S123 VanDerWaalsContact CD2-OG 3.26Å; L100-S123 WeakPolarHBondContact CD2-OG 3.43Å; P119-S123 WeakPolarHBondContact O-CB 3.26Å; P119-S123 PolarHBondContact O-N 3.35Å; I120-S123 PolarHBondContact O-N 3.43Å; F121-S123 VanDerWaalsContact C-N 3.3Å; F121-S123 PolarHBondContact O-N 3.04Å; S123-S125 VanDerWaalsContact C-N 3.3Å; S123-S125 PolarHBondContact O-N 3.42Å; S123-N126 PolarHBondContact O-N 3.48Å; S123-S127 PolarHBondContact O-N 3.25Å
124	I	94.7	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-33.1	174.5	-62.9	166	0	0	0	111.1	F96 L105 I120 F121 N126 S127 I130 L133 M151 N155 I158	F96-I124 HydrophobicContact CE2-CD1 4.09Å; F96-I124 HydrophobicContact CE2-CG1 3.88Å; F96-I124 HydrophobicContact CZ-CG1 4.02Å; L105-I124 HydrophobicContact CD2-CD1 3.88Å; L105-I124 HydrophobicContact CD2-CG1 4.24Å; I120-I124 HydrophobicContact CG2-CD1 3.69Å; I120-I124 HydrophobicContact CG2-CG1 4.45Å; I120-I124 VanDerWaalsContact O-CG1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.39Å; I120-I124 PolarHBondContact O-N 3.38Å; F121-I124 PolarHBondContact O-N 3.35Å; I124-N126 PolarHBondContact O-N 2.95Å; I124-S127 WeakPolarHBondContact O-CB 3.34Å; I124-S127 PolarHBondContact O-N 2.74Å; I124-I130 HydrophobicContact CG1-CD1 4.15Å; I124-L133 HydrophobicContact CD1-CD1 3.99Å; I124-L133 HydrophobicContact CD1-CD2 4.34Å; I124-M151 HydrophobicContact CB-CG 3.9Å; I124-M151 HydrophobicContact CB-SD 4.13Å; I124-M151 HydrophobicContact CG2-CE 4.36Å; I124-M151 HydrophobicContact CG2-CG 3.9Å; I124-M151 HydrophobicContact CG2-SD 3.44Å; I124-M151 WeakPolarHBondContact CG2-SD 3.45Å; I124-N155 PolarHBondContact O-ND2 3.4Å; I124-I158 HydrophobicContact CG2-CD1 4.27Å
125	S	94.1	Very high	92.9	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-54.2	-37.3	178.1	-57.2	0	0	0	0	111.9	F121 S122 S123 M151	F121-S125 PolarHBondContact O-N 3.24Å; F121-S125 PolarHBondContact O-OG 3.29Å; S122-S125 WeakPolarHBondContact O-CB 3.39Å; S122-S125 PolarHBondContact O-N 2.81Å; S123-S125 VanDerWaalsContact C-N 3.3Å; S123-S125 PolarHBondContact O-N 3.42Å; S125-M151 WeakPolarHBondContact OG-CA 3.35Å
126	N	88.8	Confident	93.4	Very high	95 Å²	95	29.5 Å²	29.5	51%	0.508	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.1	179.6	-62.6	-22.1	0	0	0	113.5	S123 I124 L128	S123-N126 PolarHBondContact O-N 3.48Å; I124-N126 PolarHBondContact O-N 2.95Å; N126-L128 PolarHBondContact O-N 3.06Å
127	S	89.8	Confident	93.7	Very high	5 Å²	5	26.9 Å²	26.9	4%	0.035	15%	0.145	C	C	.	.			trans	-74.8	124.7	-175.7	-174.9	0	0	0	0	111.3	S123 I124 N129 I130 N155	S123-S127 PolarHBondContact O-N 3.25Å; I124-S127 WeakPolarHBondContact O-CB 3.34Å; I124-S127 PolarHBondContact O-N 2.74Å; S127-N129 PolarHBondContact OG-N 3.01Å; S127-I130 WeakPolarHBondContact OG-CG1 3.34Å; S127-I130 PolarHBondContact OG-N 2.98Å; S127-N155 PolarHBondContact O-ND2 2.77Å
128	L	88.4	Confident	93.9	Very high	121 Å²	121	26.7 Å²	26.7	63%	0.634	14%	0.144	S	C	*	.	S	Bend	trans	-91.5	-8.5	174.7	-53.5	180	0	0	0	112.9	N126 F157	N126-L128 PolarHBondContact O-N 3.06Å; L128-F157 HydrophobicContact CD2-CD2 4.21Å; L128-F157 HydrophobicContact CD2-CE2 3.44Å; L128-F157 VanDerWaalsContact CD2-CE2 3.44Å; L128-F157 HydrophobicContact CD2-CZ 3.94Å
129	N	91.5	Very high	93.7	Very high	69 Å²	69	25.4 Å²	25.4	37%	0.369	14%	0.143	S	C	.	.	S	Bend	trans	-101.1	-37.9	-171.8	-61.3	-40.8	0	0	0	112.6	E103 S127 T131	E103-N129 WeakPolarHBondContact CA-O 3.3Å; S127-N129 PolarHBondContact OG-N 3.01Å; N129-T131 PolarHBondContact O-N 3.36Å; N129-T131 VanDerWaalsContact O-N 3.13Å
130	I	94.7	Very high	93.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.			trans	-73.8	109.7	-172.7	-62.4	166.4	0	0	0	109.3	D102 L105 I124 S127	D102-I130 WeakPolarHBondContact O-CG1 3.45Å; L105-I130 HydrophobicContact CB-CD1 4.16Å; L105-I130 HydrophobicContact CB-CG1 4.33Å; L105-I130 HydrophobicContact CB-CG2 4.03Å; L105-I130 HydrophobicContact CD2-CD1 3.84Å; I124-I130 HydrophobicContact CG1-CD1 4.15Å; S127-I130 WeakPolarHBondContact OG-CG1 3.34Å; S127-I130 PolarHBondContact OG-N 2.98Å
131	T	96.1	Very high	93.7	Very high	23 Å²	23	28 Å²	28	14%	0.141	16%	0.157	C	C	.	.			trans	-105	-23.8	173.5	72.3	0	0	0	0	111.8	E103 N129 I158 T159 N160	E103-T131 HydrophobicContact CG-CG2 4.12Å; E103-T131 WeakPolarHBondContact CG-OG1 3.35Å; E103-T131 PolarHBondContact O-N 3.03Å; E103-T131 PolarHBondContact OE1-OG1 3.22Å; E103-T131 VanDerWaalsContact OE1-OG1 3.11Å; N129-T131 PolarHBondContact O-N 3.36Å; N129-T131 VanDerWaalsContact O-N 3.13Å; T131-I158 CarbonylContact O-C 3.48Å; T131-I158 WeakPolarHBondContact O-CA 3.46Å; T131-T159 PolarHBondContact O-N 3.41Å; T131-T159 PolarHBondContact O-OG1 2.84Å; T131-N160 PolarHBondContact O-N 3.45Å; T131-N160 VanDerWaalsContact O-N 3.08Å
132	Q	97.9	Very high	93.7	Very high	52 Å²	52	29.9 Å²	29.9	24%	0.243	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.2	178.1	-43.7	-75.5	-61.2	0	0	109.8	E103 L105 T159 N160	E103-Q132 PolarHBondContact O-N 3.03Å; L105-Q132 PolarHBondContact N-O 3.45Å; Q132-T159 PolarHBondContact NE2-OG1 2.78Å; Q132-N160 VanDerWaalsContact CD-CB 3.44Å; Q132-N160 PolarHBondContact NE2-OD1 2.86Å; Q132-N160 PolarHBondContact OE1-ND2 3.07Å; Q132-N160 PolarHBondContact OE1-OD1 3.41Å
133	L	97.1	Very high	93.7	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.4	178.3	-179.6	60	0	0	0	110.9	L105 I124 L135 M151 I158 N160 L161 N162	L105-L133 HydrophobicContact CB-CD1 4.43Å; L105-L133 HydrophobicContact CD2-CD1 4.06Å; L105-L133 HydrophobicContact CG-CD1 4.36Å; I124-L133 HydrophobicContact CD1-CD1 3.99Å; I124-L133 HydrophobicContact CD1-CD2 4.34Å; L133-L135 HydrophobicContact CD1-CD2 4.38Å; L133-L135 HydrophobicContact CD1-CG 4.18Å; L133-L135 HydrophobicContact CD2-CD1 4.01Å; L133-L135 HydrophobicContact CD2-CG 4.49Å; L133-L135 HydrophobicContact CG-CD1 4.17Å; L133-L135 HydrophobicContact CG-CG 4.12Å; L133-M151 HydrophobicContact CD2-CE 3.54Å; L133-I158 HydrophobicContact CB-CD1 4.39Å; L133-I158 HydrophobicContact CD2-CD1 4.07Å; L133-N160 PolarHBondContact N-O 2.99Å; L133-L161 HydrophobicContact CB-CD1 4.19Å; L133-L161 HydrophobicContact CD2-CD1 4.03Å; L133-L161 HydrophobicContact CG-CD1 4.24Å; L133-N162 PolarHBondContact O-N 3.46Å
134	D	97.4	Very high	93.5	Very high	20 Å²	20	33.8 Å²	33.8	11%	0.107	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111.5	177	-160.3	-36.8	0	0	0	112.3	L105 L107 K108 T136 N162	L105-D134 PolarHBondContact O-N 3.01Å; L107-D134 PolarHBondContact N-O 3.45Å; K108-D134 WeakPolarHBondContact CE-OD2 3.37Å; K108-D134 HydrophobicContact CG-CB 4.27Å; K108-D134 VanDerWaalsContact CG-OD1 3.29Å; K108-D134 WeakPolarHBondContact CG-OD1 3.17Å; K108-D134 IonicContact NZ-OD2 2.96Å; K108-D134 PolarHBondContact NZ-OD2 3.48Å; D134-T136 VanDerWaalsContact OD1-CB 3.27Å; D134-T136 WeakPolarHBondContact OD1-CB 3.45Å; D134-T136 PolarHBondContact OD1-N 2.82Å; D134-T136 PolarHBondContact OD1-OG1 3.01Å; D134-N162 HydrophobicContact CB-CB 4.29Å; D134-N162 VanDerWaalsContact CG-ND2 3.33Å; D134-N162 PolarHBondContact OD1-ND2 2.86Å; D134-N162 PolarHBondContact OD2-ND2 2.86Å
135	L	96.4	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.			trans	-114.7	27.7	177.6	-62.5	168.6	0	0	0	111.5	L107 L112 F121 L133 N137 S138 L140 L148 N162 L163 N166	L107-L135 HydrophobicContact CB-CD2 4.07Å; L107-L135 HydrophobicContact CD1-CD2 4.08Å; L112-L135 HydrophobicContact CD1-CD2 4.3Å; F121-L135 HydrophobicContact CE1-CD1 3.89Å; F121-L135 HydrophobicContact CZ-CD1 4.24Å; L133-L135 HydrophobicContact CD1-CD2 4.38Å; L133-L135 HydrophobicContact CD1-CG 4.18Å; L133-L135 HydrophobicContact CD2-CD1 4.01Å; L133-L135 HydrophobicContact CD2-CG 4.49Å; L133-L135 HydrophobicContact CG-CD1 4.17Å; L133-L135 HydrophobicContact CG-CG 4.12Å; L135-N137 PolarHBondContact O-N 2.74Å; L135-S138 WeakPolarHBondContact CA-OG 3.34Å; L135-S138 VanDerWaalsContact O-CB 3.27Å; L135-S138 WeakPolarHBondContact O-CB 3.49Å; L135-S138 PolarHBondContact O-N 3.18Å; L135-S138 PolarHBondContact O-OG 2.69Å; L135-L140 HydrophobicContact CB-CD1 3.94Å; L135-L140 HydrophobicContact CD1-CD1 4.03Å; L135-L148 HydrophobicContact CD1-CD1 4.27Å; L135-N162 PolarHBondContact N-O 2.96Å; L135-L163 HydrophobicContact CB-CD2 4.02Å; L135-L163 HydrophobicContact CD1-CD2 3.81Å; L135-L163 HydrophobicContact CG-CD2 4.43Å; L135-N166 PolarHBondContact O-ND2 3.34Å
136	T	96.6	Very high	93.5	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.043	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	127.4	178.3	-56.9	0	0	0	0	111	K108 Y109 D134 S138 N162 S164 E165	K108-T136 CarbonylContact C-O 3.4Å; K108-T136 VanDerWaalsContact CA-O 3.24Å; K108-T136 WeakPolarHBondContact CA-O 3.45Å; Y109-T136 PolarHBondContact N-O 3.15Å; D134-T136 VanDerWaalsContact OD1-CB 3.27Å; D134-T136 WeakPolarHBondContact OD1-CB 3.45Å; D134-T136 PolarHBondContact OD1-N 2.82Å; D134-T136 PolarHBondContact OD1-OG1 3.01Å; T136-S138 VanDerWaalsContact C-N 3.25Å; T136-S138 PolarHBondContact O-N 3.15Å; T136-N162 VanDerWaalsContact OG1-CG 3.31Å; T136-N162 PolarHBondContact OG1-ND2 3.45Å; T136-N162 PolarHBondContact OG1-OD1 2.79Å; T136-S164 CarbonylContact C-O 3.55Å; T136-S164 WeakPolarHBondContact CA-O 3.34Å; T136-S164 WeakPolarHBondContact CG2-OG 3.26Å; T136-S164 PolarHBondContact OG1-OG 3.34Å; T136-E165 HydrophobicContact CG2-CB 4.07Å; T136-E165 HydrophobicContact CG2-CG 4.01Å
137	N	94	Very high	93.8	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.134	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	45.8	177.2	-159.3	-16	0	0	0	113.1	Y109 L135 C139 S164 E165	Y109-N137 VanDerWaalsContact CA-O 3.22Å; Y109-N137 WeakPolarHBondContact CA-O 3.42Å; Y109-N137 HydrophobicContact CD1-CB 3.59Å; Y109-N137 HydrophobicContact CE1-CB 3.8Å; Y109-N137 PolarHBondContact N-O 3.11Å; L135-N137 PolarHBondContact O-N 2.74Å; N137-C139 VanDerWaalsContact C-N 3.32Å; N137-S164 PolarHBondContact N-O 2.77Å; N137-E165 VanDerWaalsContact CA-O 3.22Å; N137-E165 WeakPolarHBondContact CA-O 3.08Å; N137-E165 HydrophobicContact CB-CB 3.86Å
138	S	92.6	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-95	12.6	178.4	-60.3	0	0	0	0	113.3	L107 S110 L135 T136 L140 N166	L107-S138 PolarHBondContact O-OG 3.25Å; S110-S138 CarbonylContact O-C 3.29Å; S110-S138 WeakPolarHBondContact O-CA 3.3Å; L135-S138 WeakPolarHBondContact CA-OG 3.34Å; L135-S138 VanDerWaalsContact O-CB 3.27Å; L135-S138 WeakPolarHBondContact O-CB 3.49Å; L135-S138 PolarHBondContact O-N 3.18Å; L135-S138 PolarHBondContact O-OG 2.69Å; T136-S138 VanDerWaalsContact C-N 3.25Å; T136-S138 PolarHBondContact O-N 3.15Å; S138-L140 VanDerWaalsContact C-N 3.27Å; S138-L140 PolarHBondContact O-N 2.96Å; S138-N166 PolarHBondContact N-OD1 3.11Å
139	C	89.5	Confident	94.4	Very high	39 Å²	39	30.4 Å²	30.4	26%	0.264	16%	0.158	S	C	.	.			trans	59.2	33.1	-173.4	-54	0	0	0	0	113.6	N137 N166	N137-C139 VanDerWaalsContact C-N 3.32Å; C139-N166 PolarHBondContact N-OD1 2.92Å; C139-N166 VanDerWaalsContact N-OD1 3.17Å
140	L	92.9	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.			trans	-66.9	134.5	172.7	-55.1	-179.4	0	0	0	109.5	L117 F121 L135 S138 L163 N166 H167 L168	L117-L140 HydrophobicContact CD1-CD2 3.51Å; L117-L140 HydrophobicContact CD2-CD2 4Å; L117-L140 HydrophobicContact CG-CD2 4.42Å; F121-L140 HydrophobicContact CZ-CD2 4.31Å; L135-L140 HydrophobicContact CB-CD1 3.94Å; L135-L140 HydrophobicContact CD1-CD1 4.03Å; S138-L140 VanDerWaalsContact C-N 3.27Å; S138-L140 PolarHBondContact O-N 2.96Å; L140-L163 HydrophobicContact CD1-CD2 3.82Å; L140-N166 HydrophobicContact CB-CB 3.93Å; L140-N166 PolarHBondContact N-OD1 3.23Å; L140-H167 CarbonylContact O-C 3.11Å; L140-H167 WeakPolarHBondContact O-CA 3.3Å; L140-H167 WeakPolarHBondContact O-CB 3.11Å; L140-H167 PolarHBondContact O-N 3.44Å; L140-L168 HydrophobicContact CB-CD2 4.3Å
141	N	92.7	Very high	94.6	Very high	55 Å²	55	32.1 Å²	32.1	29%	0.294	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-133.2	179.1	176.8	66	7.5	0	0	0	109.8	E143 C144 H167	N141-E143 PolarHBondContact O-N 3.05Å; N141-E143 VanDerWaalsContact O-N 3.1Å; N141-E143 WeakPolarHBondContact OD1-CB 3.45Å; N141-E143 PolarHBondContact OD1-N 3.42Å; N141-E143 VanDerWaalsContact OD1-N 3.12Å; N141-C144 PolarHBondContact N-SG 3.1Å; N141-C144 VanDerWaalsContact N-SG 3.42Å; N141-C144 PolarHBondContact O-N 3.41Å; N141-C144 VanDerWaalsContact O-N 3.08Å; N141-C144 PolarHBondContact O-SG 2.88Å; N141-C144 PolarHBondContact OD1-N 3.08Å; N141-H167 HydrophobicContact CB-CB 4.27Å
142	D	94.7	Very high	94.6	Very high	44 Å²	44	32 Å²	32	24%	0.235	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.4	-179.2	-61.4	-20	0	0	0	113.9	C144 V145 T169 S172	D142-C144 VanDerWaalsContact C-N 3.28Å; D142-C144 PolarHBondContact O-N 2.97Å; D142-V145 VanDerWaalsContact O-CG1 3.26Å; D142-V145 WeakPolarHBondContact O-CG1 3.28Å; D142-V145 PolarHBondContact O-N 3.46Å; D142-T169 VanDerWaalsContact CG-OG1 3.28Å; D142-T169 PolarHBondContact OD1-N 3.08Å; D142-T169 PolarHBondContact OD1-OG1 3.02Å; D142-T169 WeakPolarHBondContact OD2-CB 3.43Å; D142-T169 VanDerWaalsContact OD2-CG2 3.3Å; D142-T169 WeakPolarHBondContact OD2-CG2 3.44Å; D142-T169 PolarHBondContact OD2-OG1 3.39Å; D142-S172 VanDerWaalsContact CA-OG 3.31Å; D142-S172 WeakPolarHBondContact CA-OG 3.38Å; D142-S172 WeakPolarHBondContact OD1-CB 3.43Å; D142-S172 PolarHBondContact OD1-OG 3.44Å
143	E	93	Very high	94.4	Very high	138 Å²	138	35.5 Å²	35.5	65%	0.645	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.8	177.9	-56	-176.7	152.4	0	0	112.8	N141	N141-E143 PolarHBondContact O-N 3.05Å; N141-E143 VanDerWaalsContact O-N 3.1Å; N141-E143 WeakPolarHBondContact OD1-CB 3.45Å; N141-E143 PolarHBondContact OD1-N 3.42Å; N141-E143 VanDerWaalsContact OD1-N 3.12Å
144	C	91.5	Very high	94.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-11.2	-178.1	77.1	0	0	0	0	113.7	L114 L117 N141 D142 N146 H147 L148	L114-C144 HydrophobicContact CD1-CB 4Å; L117-C144 HydrophobicContact CD1-CB 4Å; N141-C144 PolarHBondContact N-SG 3.1Å; N141-C144 VanDerWaalsContact N-SG 3.42Å; N141-C144 PolarHBondContact O-N 3.41Å; N141-C144 VanDerWaalsContact O-N 3.08Å; N141-C144 PolarHBondContact O-SG 2.88Å; N141-C144 PolarHBondContact OD1-N 3.08Å; D142-C144 VanDerWaalsContact C-N 3.28Å; D142-C144 PolarHBondContact O-N 2.97Å; C144-N146 VanDerWaalsContact C-N 3.29Å; C144-N146 PolarHBondContact O-N 3.25Å; C144-H147 PolarHBondContact O-N 2.85Å; C144-L148 PolarHBondContact O-N 3.07Å
145	V	93.9	Very high	93.9	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-39.6	-172.5	77.4	0	0	0	0	112.1	D142 H147 L148 C149 S172 L176	D142-V145 VanDerWaalsContact O-CG1 3.26Å; D142-V145 WeakPolarHBondContact O-CG1 3.28Å; D142-V145 PolarHBondContact O-N 3.46Å; V145-H147 VanDerWaalsContact C-N 3.3Å; V145-H147 PolarHBondContact O-N 3.18Å; V145-L148 WeakPolarHBondContact O-CB 3.08Å; V145-L148 PolarHBondContact O-N 3.07Å; V145-L148 VanDerWaalsContact O-N 3.17Å; V145-C149 WeakPolarHBondContact O-CB 3.39Å; V145-C149 PolarHBondContact O-N 3.24Å; V145-C149 PolarHBondContact O-SG 3.05Å; V145-S172 WeakPolarHBondContact CB-OG 3.47Å; V145-L176 HydrophobicContact CG2-CB 4.35Å
146	N	94.1	Very high	93.5	Very high	89 Å²	89	43.6 Å²	43.6	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-37.3	178.9	-73.5	-37.2	0	0	0	112.7	C144 H150	C144-N146 VanDerWaalsContact C-N 3.29Å; C144-N146 PolarHBondContact O-N 3.25Å; N146-H150 WeakPolarHBondContact O-CB 3.09Å; N146-H150 PolarHBondContact O-N 3.4Å
147	H	94.5	Very high	93.4	Very high	69 Å²	69	47.5 Å²	47.5	32%	0.319	23%	0.232	S	C	.	.	H	α-helix	trans	-74.9	-35.7	177	-64.1	-64.1	0	0	0	112	K118 F121 C144 V145 M151	K118-H147 WeakPolarHBondContact CE-NE2 3.23Å; F121-H147 HydrophobicContact CD2-CB 3.76Å; F121-H147 HydrophobicContact CE2-CB 4.27Å; C144-H147 PolarHBondContact O-N 2.85Å; V145-H147 VanDerWaalsContact C-N 3.3Å; V145-H147 PolarHBondContact O-N 3.18Å; H147-M151 PolarHBondContact O-N 2.74Å
148	L	95.1	Very high	93.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-49.7	172	174.7	65	0	0	0	110.6	F121 L135 C144 V145 H150 M151 L152 L163 L176	F121-L148 HydrophobicContact CE1-CD1 4.3Å; F121-L148 HydrophobicContact CE2-CB 3.97Å; F121-L148 HydrophobicContact CZ-CB 4.17Å; F121-L148 HydrophobicContact CZ-CD1 4.05Å; L135-L148 HydrophobicContact CD1-CD1 4.27Å; C144-L148 PolarHBondContact O-N 3.07Å; V145-L148 WeakPolarHBondContact O-CB 3.08Å; V145-L148 PolarHBondContact O-N 3.07Å; V145-L148 VanDerWaalsContact O-N 3.17Å; L148-H150 VanDerWaalsContact C-N 3.35Å; L148-H150 PolarHBondContact O-N 3.49Å; L148-M151 HydrophobicContact CD1-CE 3.75Å; L148-M151 PolarHBondContact O-N 3.17Å; L148-M151 VanDerWaalsContact O-N 3.17Å; L148-L152 HydrophobicContact CD1-CD1 4.03Å; L148-L152 HydrophobicContact CD1-CG 4.31Å; L148-L152 HydrophobicContact CG-CD1 3.91Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.25Å; L148-L163 HydrophobicContact CD1-CD2 4.41Å; L148-L163 HydrophobicContact CD2-CD1 3.71Å; L148-L163 HydrophobicContact CD2-CD2 4.08Å; L148-L176 HydrophobicContact CD2-CD1 4.17Å
149	C	95.8	Very high	93.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-40.7	177.3	-70.2	0	0	0	0	112.2	V145 L152 R153 Y175 T179	V145-C149 WeakPolarHBondContact O-CB 3.39Å; V145-C149 PolarHBondContact O-N 3.24Å; V145-C149 PolarHBondContact O-SG 3.05Å; C149-L152 PolarHBondContact O-N 2.89Å; C149-R153 WeakPolarHBondContact O-CG 3.47Å; C149-R153 PolarHBondContact O-N 2.88Å; C149-Y175 PolarHBondContact SG-O 3.5Å; C149-T179 HydrophobicContact CB-CG2 4.2Å; C149-T179 WeakPolarHBondContact CB-OG1 3.19Å; C149-T179 PolarHBondContact SG-OG1 2.92Å
150	H	95.3	Very high	94.2	Very high	104 Å²	104	47 Å²	47	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-48.5	172.9	-176.6	-68.3	0	0	0	111	N146 L148 L152 R153 E154	N146-H150 WeakPolarHBondContact O-CB 3.09Å; N146-H150 PolarHBondContact O-N 3.4Å; L148-H150 VanDerWaalsContact C-N 3.35Å; L148-H150 PolarHBondContact O-N 3.49Å; H150-L152 VanDerWaalsContact C-N 3.31Å; H150-L152 PolarHBondContact O-N 2.69Å; H150-R153 PolarHBondContact O-N 3.23Å; H150-E154 WeakPolarHBondContact O-CG 3.11Å; H150-E154 PolarHBondContact O-N 2.99Å
151	M	95.5	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-41.9	178.1	177	-77.8	-65.2	0	0	112.4	F121 I124 S125 L133 H147 L148 R153 E154 N155 I158	F121-M151 HydrophobicContact CB-CB 3.99Å; F121-M151 HydrophobicContact CB-CG 4.28Å; F121-M151 HydrophobicContact CD1-CE 4.48Å; F121-M151 HydrophobicContact CG-CB 4.41Å; F121-M151 VanDerWaalsContact O-CG 3.27Å; F121-M151 WeakPolarHBondContact O-CG 3.48Å; I124-M151 HydrophobicContact CB-CG 3.9Å; I124-M151 HydrophobicContact CB-SD 4.13Å; I124-M151 HydrophobicContact CG2-CE 4.36Å; I124-M151 HydrophobicContact CG2-CG 3.9Å; I124-M151 HydrophobicContact CG2-SD 3.44Å; I124-M151 WeakPolarHBondContact CG2-SD 3.45Å; S125-M151 WeakPolarHBondContact OG-CA 3.35Å; L133-M151 HydrophobicContact CD2-CE 3.54Å; H147-M151 PolarHBondContact O-N 2.74Å; L148-M151 HydrophobicContact CD1-CE 3.75Å; L148-M151 PolarHBondContact O-N 3.17Å; L148-M151 VanDerWaalsContact O-N 3.17Å; M151-R153 VanDerWaalsContact C-N 3.29Å; M151-R153 PolarHBondContact O-N 2.87Å; M151-E154 PolarHBondContact O-N 2.77Å; M151-N155 VanDerWaalsContact O-CB 3.28Å; M151-N155 WeakPolarHBondContact O-CB 3.41Å; M151-N155 PolarHBondContact O-N 2.99Å; M151-N155 HydrophobicContact SD-CB 4.08Å; M151-I158 HydrophobicContact CE-CD1 4.15Å; M151-I158 HydrophobicContact SD-CD1 3.7Å
152	L	95.4	Very high	94.7	Very high	21 Å²	21	45.7 Å²	45.7	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-70.2	-22.8	179	-67.4	168	0	0	0	113.7	L148 C149 H150 I158 L161 L176 T179 L180	L148-L152 HydrophobicContact CD1-CD1 4.03Å; L148-L152 HydrophobicContact CD1-CG 4.31Å; L148-L152 HydrophobicContact CG-CD1 3.91Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.25Å; C149-L152 PolarHBondContact O-N 2.89Å; H150-L152 VanDerWaalsContact C-N 3.31Å; H150-L152 PolarHBondContact O-N 2.69Å; L152-I158 HydrophobicContact CD2-CD1 3.87Å; L152-L161 HydrophobicContact CD1-CD2 3.88Å; L152-L161 HydrophobicContact CD2-CD1 4.45Å; L152-L161 HydrophobicContact CD2-CD2 3.94Å; L152-L176 HydrophobicContact CD1-CD1 3.96Å; L152-T179 HydrophobicContact CB-CG2 3.85Å; L152-L180 HydrophobicContact CD1-CD2 3.92Å
153	R	94.4	Very high	94.8	Very high	126 Å²	126	43.6 Å²	43.6	48%	0.475	21%	0.209	S	C	.	.	H	α-helix	trans	-74.5	-41.8	172.8	-80	-172.7	-96.3	-115	0.8	111.8	C149 H150 M151 T179	C149-R153 WeakPolarHBondContact O-CG 3.47Å; C149-R153 PolarHBondContact O-N 2.88Å; H150-R153 PolarHBondContact O-N 3.23Å; M151-R153 VanDerWaalsContact C-N 3.29Å; M151-R153 PolarHBondContact O-N 2.87Å; R153-T179 HydrophobicContact CG-CG2 3.77Å
154	E	93.8	Very high	95.1	Very high	115 Å²	115	37.3 Å²	37.3	54%	0.537	18%	0.18	S	C	.	.	H	α-helix	trans	-77.5	-40	179.7	-59.9	-55.3	127.1	0	0	111.7	H150 M151 T156	H150-E154 WeakPolarHBondContact O-CG 3.11Å; H150-E154 PolarHBondContact O-N 2.99Å; M151-E154 PolarHBondContact O-N 2.77Å; E154-T156 PolarHBondContact O-N 2.89Å
155	N	90.7	Very high	95.3	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	19%	0.19	C	C	.	.			trans	-85.9	104.2	177.5	-170.4	-60.3	0	0	0	111	I124 S127 M151 F157 I158	I124-N155 PolarHBondContact O-ND2 3.4Å; S127-N155 PolarHBondContact O-ND2 2.77Å; M151-N155 VanDerWaalsContact O-CB 3.28Å; M151-N155 WeakPolarHBondContact O-CB 3.41Å; M151-N155 PolarHBondContact O-N 2.99Å; M151-N155 HydrophobicContact SD-CB 4.08Å; N155-F157 PolarHBondContact OD1-N 3.31Å; N155-I158 HydrophobicContact CB-CD1 4.26Å; N155-I158 WeakPolarHBondContact OD1-CG1 3.37Å; N155-I158 PolarHBondContact OD1-N 3.03Å; N155-I158 VanDerWaalsContact OD1-N 3.12Å
156	T	88.1	Confident	95.4	Very high	72 Å²	72	39.3 Å²	39.3	44%	0.442	19%	0.189	S	C	.	.			trans	-93.5	7.9	178.6	61.4	0	0	0	0	114	E154 E185	E154-T156 PolarHBondContact O-N 2.89Å; T156-E185 WeakPolarHBondContact O-CG 3.16Å
157	F	93.9	Very high	95.5	Very high	89 Å²	89	39.8 Å²	39.8	39%	0.39	19%	0.189	S	C	.	.			trans	-103.3	-16.2	-173.6	-63.8	-81.8	0	0	0	113.7	L128 N155 T159	L128-F157 HydrophobicContact CD2-CD2 4.21Å; L128-F157 HydrophobicContact CD2-CE2 3.44Å; L128-F157 VanDerWaalsContact CD2-CE2 3.44Å; L128-F157 HydrophobicContact CD2-CZ 3.94Å; N155-F157 PolarHBondContact OD1-N 3.31Å; F157-T159 PolarHBondContact O-N 2.91Å; F157-T159 VanDerWaalsContact O-N 3.12Å
158	I	96.5	Very high	95.7	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	17%	0.173	C	C	.	.			trans	-63.6	115.9	178.5	-69.7	162.9	0	0	0	110.2	I124 T131 L133 M151 L152 N155 L161	I124-I158 HydrophobicContact CG2-CD1 4.27Å; T131-I158 CarbonylContact O-C 3.48Å; T131-I158 WeakPolarHBondContact O-CA 3.46Å; L133-I158 HydrophobicContact CB-CD1 4.39Å; L133-I158 HydrophobicContact CD2-CD1 4.07Å; M151-I158 HydrophobicContact CE-CD1 4.15Å; M151-I158 HydrophobicContact SD-CD1 3.7Å; L152-I158 HydrophobicContact CD2-CD1 3.87Å; N155-I158 HydrophobicContact CB-CD1 4.26Å; N155-I158 WeakPolarHBondContact OD1-CG1 3.37Å; N155-I158 PolarHBondContact OD1-N 3.03Å; N155-I158 VanDerWaalsContact OD1-N 3.12Å; I158-L161 HydrophobicContact CG2-CB 4.19Å
159	T	97.7	Very high	95.8	Very high	24 Å²	24	38.2 Å²	38.2	15%	0.147	18%	0.184	C	C	.	.			trans	-100.1	-29.7	175.7	54.8	0	0	0	0	111.7	T131 Q132 F157 E185 L187 Q188	T131-T159 PolarHBondContact O-N 3.41Å; T131-T159 PolarHBondContact O-OG1 2.84Å; Q132-T159 PolarHBondContact NE2-OG1 2.78Å; F157-T159 PolarHBondContact O-N 2.91Å; F157-T159 VanDerWaalsContact O-N 3.12Å; T159-E185 HydrophobicContact CG2-CB 4.2Å; T159-L187 HydrophobicContact CG2-CD1 4.41Å; T159-L187 WeakPolarHBondContact O-CA 3.2Å; T159-L187 PolarHBondContact O-N 3.35Å; T159-Q188 PolarHBondContact O-N 2.76Å
160	N	98.4	Very high	95.8	Very high	24 Å²	24	38.6 Å²	38.6	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.4	177.7	-59.8	40.1	0	0	0	111.1	T131 Q132 L133 Q188	T131-N160 PolarHBondContact O-N 3.45Å; T131-N160 VanDerWaalsContact O-N 3.08Å; Q132-N160 VanDerWaalsContact CD-CB 3.44Å; Q132-N160 PolarHBondContact NE2-OD1 2.86Å; Q132-N160 PolarHBondContact OE1-ND2 3.07Å; Q132-N160 PolarHBondContact OE1-OD1 3.41Å; L133-N160 PolarHBondContact N-O 2.99Å; N160-Q188 WeakPolarHBondContact CA-O 3.42Å; N160-Q188 HydrophobicContact CB-CB 4.18Å; N160-Q188 WeakPolarHBondContact ND2-CG 3.32Å; N160-Q188 PolarHBondContact ND2-NE2 2.88Å; N160-Q188 PolarHBondContact ND2-OE1 3.48Å; N160-Q188 VanDerWaalsContact ND2-OE1 3.1Å
161	L	98.1	Very high	95.9	Very high	3 Å²	3	41 Å²	41	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.9	-178.3	-178.7	61.6	0	0	0	110.5	L133 L152 I158 L163 L180 L186 Q188 L189 N190	L133-L161 HydrophobicContact CB-CD1 4.19Å; L133-L161 HydrophobicContact CD2-CD1 4.03Å; L133-L161 HydrophobicContact CG-CD1 4.24Å; L152-L161 HydrophobicContact CD1-CD2 3.88Å; L152-L161 HydrophobicContact CD2-CD1 4.45Å; L152-L161 HydrophobicContact CD2-CD2 3.94Å; I158-L161 HydrophobicContact CG2-CB 4.19Å; L161-L163 HydrophobicContact CD1-CD2 3.86Å; L161-L163 HydrophobicContact CD1-CG 4.12Å; L161-L163 HydrophobicContact CD2-CD1 4.03Å; L161-L163 HydrophobicContact CD2-CG 4.31Å; L161-L163 HydrophobicContact CG-CD1 4.22Å; L161-L163 HydrophobicContact CG-CD2 4.26Å; L161-L163 HydrophobicContact CG-CG 3.95Å; L161-L180 HydrophobicContact CD2-CD1 4.43Å; L161-L180 HydrophobicContact CD2-CD2 3.86Å; L161-L186 HydrophobicContact CB-CD1 4.01Å; L161-Q188 PolarHBondContact N-O 2.74Å; L161-L189 HydrophobicContact CB-CD1 4.24Å; L161-L189 HydrophobicContact CD2-CD1 4.1Å; L161-L189 HydrophobicContact CG-CD1 4.27Å; L161-L189 WeakPolarHBondContact O-CA 3.25Å; L161-N190 PolarHBondContact O-N 2.62Å
162	N	98.3	Very high	96	Very high	24 Å²	24	41 Å²	41	13%	0.128	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.5	175.5	-175.9	3.4	0	0	0	111.2	L133 D134 L135 T136 S164 N190	L133-N162 PolarHBondContact O-N 3.46Å; D134-N162 HydrophobicContact CB-CB 4.29Å; D134-N162 VanDerWaalsContact CG-ND2 3.33Å; D134-N162 PolarHBondContact OD1-ND2 2.86Å; D134-N162 PolarHBondContact OD2-ND2 2.86Å; L135-N162 PolarHBondContact N-O 2.96Å; T136-N162 VanDerWaalsContact OG1-CG 3.31Å; T136-N162 PolarHBondContact OG1-ND2 3.45Å; T136-N162 PolarHBondContact OG1-OD1 2.79Å; N162-S164 VanDerWaalsContact OD1-CB 3.3Å; N162-S164 WeakPolarHBondContact OD1-CB 3.4Å; N162-S164 PolarHBondContact OD1-N 3.24Å; N162-S164 PolarHBondContact OD1-OG 3.45Å; N162-N190 HydrophobicContact CB-CB 4.25Å
163	L	97.8	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.			trans	-118.6	21.2	178.4	-54.5	176.3	0	0	0	111.5	L135 L140 L148 L161 N166 L168 L176 N190 L191 N194	L135-L163 HydrophobicContact CB-CD2 4.02Å; L135-L163 HydrophobicContact CD1-CD2 3.81Å; L135-L163 HydrophobicContact CG-CD2 4.43Å; L140-L163 HydrophobicContact CD1-CD2 3.82Å; L148-L163 HydrophobicContact CD1-CD2 4.41Å; L148-L163 HydrophobicContact CD2-CD1 3.71Å; L148-L163 HydrophobicContact CD2-CD2 4.08Å; L161-L163 HydrophobicContact CD1-CD2 3.86Å; L161-L163 HydrophobicContact CD1-CG 4.12Å; L161-L163 HydrophobicContact CD2-CD1 4.03Å; L161-L163 HydrophobicContact CD2-CG 4.31Å; L161-L163 HydrophobicContact CG-CD1 4.22Å; L161-L163 HydrophobicContact CG-CD2 4.26Å; L161-L163 HydrophobicContact CG-CG 3.95Å; L163-N166 VanDerWaalsContact C-ND2 3.34Å; L163-N166 PolarHBondContact O-ND2 3.4Å; L163-L168 HydrophobicContact CB-CD1 4.35Å; L163-L168 HydrophobicContact CD1-CD1 4.27Å; L163-L176 HydrophobicContact CD1-CD1 4.26Å; L163-L176 HydrophobicContact CD1-CD2 3.84Å; L163-N190 CarbonylContact C-O 3.59Å; L163-N190 PolarHBondContact N-O 3.36Å; L163-L191 HydrophobicContact CB-CD2 4.08Å; L163-L191 HydrophobicContact CD1-CD2 4.01Å; L163-N194 PolarHBondContact O-ND2 2.83Å
164	S	98.1	Very high	96.2	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.042	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	159	-176.8	59.6	0	0	0	0	113.3	T136 N137 N162 N166 N190 R192	T136-S164 CarbonylContact C-O 3.55Å; T136-S164 WeakPolarHBondContact CA-O 3.34Å; T136-S164 WeakPolarHBondContact CG2-OG 3.26Å; T136-S164 PolarHBondContact OG1-OG 3.34Å; N137-S164 PolarHBondContact N-O 2.77Å; N162-S164 VanDerWaalsContact OD1-CB 3.3Å; N162-S164 WeakPolarHBondContact OD1-CB 3.4Å; N162-S164 PolarHBondContact OD1-N 3.24Å; N162-S164 PolarHBondContact OD1-OG 3.45Å; S164-N166 VanDerWaalsContact C-N 3.29Å; S164-N166 PolarHBondContact O-N 2.62Å; S164-N166 PolarHBondContact O-ND2 3.43Å; S164-N166 VanDerWaalsContact O-ND2 3.13Å; S164-N190 PolarHBondContact N-O 2.79Å; S164-R192 CarbonylContact C-O 3.55Å; S164-R192 WeakPolarHBondContact CA-O 3.23Å; S164-R192 VanDerWaalsContact CB-O 3.24Å; S164-R192 WeakPolarHBondContact CB-O 3.5Å
165	E	96.9	Very high	96.3	Very high	44 Å²	44	37.9 Å²	37.9	21%	0.206	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	33.5	176	-49.6	-149.8	-153.8	0	0	114.4	T136 N137 R192 K193	T136-E165 HydrophobicContact CG2-CB 4.07Å; T136-E165 HydrophobicContact CG2-CG 4.01Å; N137-E165 VanDerWaalsContact CA-O 3.22Å; N137-E165 WeakPolarHBondContact CA-O 3.08Å; N137-E165 HydrophobicContact CB-CB 3.86Å; E165-R192 PolarHBondContact N-O 3.5Å; E165-K193 CarbonylContact C-O 3.6Å; E165-K193 WeakPolarHBondContact CA-O 3.42Å; E165-K193 HydrophobicContact CG-CB 4.19Å; E165-K193 HydrophobicContact CG-CD 3.95Å; E165-K193 HydrophobicContact CG-CG 4.46Å; E165-K193 PolarHBondContact N-O 2.93Å; E165-K193 IonicContact OE2-NZ 2.86Å; E165-K193 PolarHBondContact OE2-NZ 2.83Å
166	N	96	Very high	96.6	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-108.8	-171.4	176.5	-75.8	-66.6	0	0	0	111.3	L135 S138 C139 L140 L163 S164 L168 N194	L135-N166 PolarHBondContact O-ND2 3.34Å; S138-N166 PolarHBondContact N-OD1 3.11Å; C139-N166 PolarHBondContact N-OD1 2.92Å; C139-N166 VanDerWaalsContact N-OD1 3.17Å; L140-N166 HydrophobicContact CB-CB 3.93Å; L140-N166 PolarHBondContact N-OD1 3.23Å; L163-N166 VanDerWaalsContact C-ND2 3.34Å; L163-N166 PolarHBondContact O-ND2 3.4Å; S164-N166 VanDerWaalsContact C-N 3.29Å; S164-N166 PolarHBondContact O-N 2.62Å; S164-N166 PolarHBondContact O-ND2 3.43Å; S164-N166 VanDerWaalsContact O-ND2 3.13Å; N166-L168 HydrophobicContact CB-CG 4.45Å; N166-N194 WeakPolarHBondContact CA-OD1 3.49Å; N166-N194 VanDerWaalsContact CB-OD1 3.24Å; N166-N194 WeakPolarHBondContact CB-OD1 3.25Å; N166-N194 PolarHBondContact N-OD1 2.93Å; N166-N194 PolarHBondContact O-OD1 2.7Å
167	H	95.7	Very high	97.1	Very high	99 Å²	99	34.3 Å²	34.3	46%	0.458	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-112.4	33.7	-178.4	-54.9	-62.2	0	0	0	111.8	L140 N141 L195	L140-H167 CarbonylContact O-C 3.11Å; L140-H167 WeakPolarHBondContact O-CA 3.3Å; L140-H167 WeakPolarHBondContact O-CB 3.11Å; L140-H167 PolarHBondContact O-N 3.44Å; N141-H167 HydrophobicContact CB-CB 4.27Å; H167-L195 HydrophobicContact CB-CD1 4.15Å
168	L	97.2	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.			trans	-74.3	132.5	175.1	-59	175.2	0	0	0	109.4	L140 L163 N166 L176 N194 L195 F196	L140-L168 HydrophobicContact CB-CD2 4.3Å; L163-L168 HydrophobicContact CB-CD1 4.35Å; L163-L168 HydrophobicContact CD1-CD1 4.27Å; N166-L168 HydrophobicContact CB-CG 4.45Å; L168-L176 HydrophobicContact CD1-CD2 4.39Å; L168-N194 HydrophobicContact CB-CB 4.43Å; L168-N194 WeakPolarHBondContact CB-OD1 3.46Å; L168-N194 PolarHBondContact N-OD1 3.21Å; L168-L195 CarbonylContact O-C 3.43Å; L168-L195 WeakPolarHBondContact O-CA 3.44Å; L168-L195 PolarHBondContact O-N 3.29Å; L168-F196 HydrophobicContact CB-CE1 3.98Å; L168-F196 HydrophobicContact CB-CE2 4.4Å; L168-F196 HydrophobicContact CB-CZ 3.63Å; L168-F196 HydrophobicContact CD1-CZ 4.29Å
169	T	98	Very high	97.2	Very high	37 Å²	37	35.9 Å²	35.9	23%	0.227	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-105.9	178	176.7	80.9	0	0	0	0	111.5	D142 K171 S172 A173 L195 F196	D142-T169 VanDerWaalsContact CG-OG1 3.28Å; D142-T169 PolarHBondContact OD1-N 3.08Å; D142-T169 PolarHBondContact OD1-OG1 3.02Å; D142-T169 WeakPolarHBondContact OD2-CB 3.43Å; D142-T169 VanDerWaalsContact OD2-CG2 3.3Å; D142-T169 WeakPolarHBondContact OD2-CG2 3.44Å; D142-T169 PolarHBondContact OD2-OG1 3.39Å; T169-K171 PolarHBondContact O-N 3.11Å; T169-K171 VanDerWaalsContact O-N 3.07Å; T169-K171 PolarHBondContact OG1-N 2.7Å; T169-S172 WeakPolarHBondContact O-CA 3.39Å; T169-S172 WeakPolarHBondContact O-CB 3.4Å; T169-S172 PolarHBondContact O-N 2.95Å; T169-A173 PolarHBondContact O-N 3.47Å; T169-A173 VanDerWaalsContact O-N 3.17Å; T169-L195 WeakPolarHBondContact CA-O 3.4Å; T169-L195 HydrophobicContact CG2-CB 4.13Å; T169-F196 WeakPolarHBondContact O-CD1 3.44Å; T169-F196 VanDerWaalsContact O-CE1 3.22Å; T169-F196 WeakPolarHBondContact O-CE1 3.21Å
170	S	97	Very high	97.1	Very high	8 Å²	8	34.9 Å²	34.9	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-57.3	-20.5	173.8	-55.7	0	0	0	0	114	A173 D197	S170-A173 WeakPolarHBondContact O-CB 3.48Å; S170-A173 PolarHBondContact O-N 3.29Å; S170-D197 VanDerWaalsContact CB-OD1 3.3Å; S170-D197 WeakPolarHBondContact CB-OD1 3.33Å; S170-D197 PolarHBondContact OG-N 3.4Å; S170-D197 PolarHBondContact OG-OD1 3.18Å
171	K	96.4	Very high	96.9	Very high	154 Å²	154	35.4 Å²	35.4	67%	0.67	17%	0.169	S	C	*	.	H	α-helix	trans	-67.1	-39.5	170.8	-64.3	-179.3	179.6	178.7	0	112.2	T169 A173 Y175	T169-K171 PolarHBondContact O-N 3.11Å; T169-K171 VanDerWaalsContact O-N 3.07Å; T169-K171 PolarHBondContact OG1-N 2.7Å; K171-A173 VanDerWaalsContact C-N 3.34Å; K171-Y175 WeakPolarHBondContact O-CD2 3.25Å
172	S	96.9	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.8	-32.4	174.1	-74.3	0	0	0	0	112.3	D142 V145 T169 E174 Y175 L176	D142-S172 VanDerWaalsContact CA-OG 3.31Å; D142-S172 WeakPolarHBondContact CA-OG 3.38Å; D142-S172 WeakPolarHBondContact OD1-CB 3.43Å; D142-S172 PolarHBondContact OD1-OG 3.44Å; V145-S172 WeakPolarHBondContact CB-OG 3.47Å; T169-S172 WeakPolarHBondContact O-CA 3.39Å; T169-S172 WeakPolarHBondContact O-CB 3.4Å; T169-S172 PolarHBondContact O-N 2.95Å; S172-E174 VanDerWaalsContact C-N 3.28Å; S172-E174 PolarHBondContact O-N 2.73Å; S172-Y175 PolarHBondContact O-N 3.4Å; S172-L176 WeakPolarHBondContact O-CB 3.28Å; S172-L176 PolarHBondContact O-N 3.32Å
173	A	97.8	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-40.1	-177.7	0	0	0	0	0	112.2	T169 S170 K171 C177 F196 A200 F203 F204	T169-A173 PolarHBondContact O-N 3.47Å; T169-A173 VanDerWaalsContact O-N 3.17Å; S170-A173 WeakPolarHBondContact O-CB 3.48Å; S170-A173 PolarHBondContact O-N 3.29Å; K171-A173 VanDerWaalsContact C-N 3.34Å; A173-C177 WeakPolarHBondContact O-CB 3.48Å; A173-C177 PolarHBondContact O-N 2.86Å; A173-C177 PolarHBondContact O-SG 3.18Å; A173-F196 HydrophobicContact CB-CD1 3.87Å; A173-F196 HydrophobicContact CB-CE1 3.73Å; A173-A200 HydrophobicContact CB-CB 3.93Å; A173-F203 HydrophobicContact CB-CB 4.43Å; A173-F203 HydrophobicContact CB-CD2 3.96Å; A173-F204 HydrophobicContact CB-CE1 4.46Å
174	E	96.3	Very high	96.1	Very high	90 Å²	90	43.5 Å²	43.5	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-54.7	-63.1	177.3	-177.2	167	-156.7	0	0	111.9	S172 L176 C177 E178 F203	S172-E174 VanDerWaalsContact C-N 3.28Å; S172-E174 PolarHBondContact O-N 2.73Å; E174-L176 VanDerWaalsContact C-N 3.33Å; E174-L176 PolarHBondContact O-N 2.85Å; E174-C177 PolarHBondContact O-N 3.44Å; E174-E178 WeakPolarHBondContact O-CB 3.44Å; E174-E178 PolarHBondContact O-N 3.04Å; E174-F203 HydrophobicContact CB-CD1 4.18Å; E174-F203 HydrophobicContact CB-CD2 4.21Å; E174-F203 HydrophobicContact CB-CE1 3.72Å; E174-F203 HydrophobicContact CB-CE2 3.77Å; E174-F203 HydrophobicContact CB-CG 4.4Å; E174-F203 HydrophobicContact CB-CZ 3.5Å; E174-F203 VanDerWaalsContact CB-CZ 3.5Å; E174-F203 HydrophobicContact CG-CD1 4.28Å; E174-F203 HydrophobicContact CG-CE1 3.58Å; E174-F203 HydrophobicContact CG-CE2 4.46Å; E174-F203 HydrophobicContact CG-CZ 3.69Å
175	Y	96.4	Very high	96	Very high	107 Å²	107	46.2 Å²	46.2	42%	0.42	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-36.6	-178.1	-61.1	-70.7	0	0	0	113.2	C149 K171 S172 T179	C149-Y175 PolarHBondContact SG-O 3.5Å; K171-Y175 WeakPolarHBondContact O-CD2 3.25Å; S172-Y175 PolarHBondContact O-N 3.4Å; Y175-T179 WeakPolarHBondContact O-CB 3.25Å; Y175-T179 PolarHBondContact O-N 3.12Å; Y175-T179 VanDerWaalsContact O-N 3.08Å; Y175-T179 PolarHBondContact O-OG1 3.01Å
176	L	97.5	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-49.6	-179.4	-177.7	62.6	0	0	0	110.7	V145 L148 L152 L163 L168 S172 E174 T179 L180 L191	V145-L176 HydrophobicContact CG2-CB 4.35Å; L148-L176 HydrophobicContact CD2-CD1 4.17Å; L152-L176 HydrophobicContact CD1-CD1 3.96Å; L163-L176 HydrophobicContact CD1-CD1 4.26Å; L163-L176 HydrophobicContact CD1-CD2 3.84Å; L168-L176 HydrophobicContact CD1-CD2 4.39Å; S172-L176 WeakPolarHBondContact O-CB 3.28Å; S172-L176 PolarHBondContact O-N 3.32Å; E174-L176 VanDerWaalsContact C-N 3.33Å; E174-L176 PolarHBondContact O-N 2.85Å; L176-T179 PolarHBondContact O-N 3.4Å; L176-L180 HydrophobicContact CD1-CD1 3.91Å; L176-L180 HydrophobicContact CD1-CG 4.12Å; L176-L180 HydrophobicContact CG-CD1 3.84Å; L176-L180 HydrophobicContact CG-CG 4.39Å; L176-L180 WeakPolarHBondContact O-CB 3.42Å; L176-L180 VanDerWaalsContact O-CG 3.23Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 3.22Å; L176-L191 HydrophobicContact CD2-CD2 3.82Å
177	C	97.6	Very high	96.1	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-44	178.5	-73.2	0	0	0	0	111.4	A173 E174 T179 L180 S181 F203 L207	A173-C177 WeakPolarHBondContact O-CB 3.48Å; A173-C177 PolarHBondContact O-N 2.86Å; A173-C177 PolarHBondContact O-SG 3.18Å; E174-C177 PolarHBondContact O-N 3.44Å; C177-T179 VanDerWaalsContact C-N 3.28Å; C177-T179 PolarHBondContact O-N 3.43Å; C177-L180 PolarHBondContact O-N 3.39Å; C177-S181 WeakPolarHBondContact O-CB 3.41Å; C177-S181 PolarHBondContact O-N 3.48Å; C177-S181 PolarHBondContact O-OG 3.31Å; C177-S181 VanDerWaalsContact O-OG 3.07Å; C177-F203 HydrophobicContact CB-CB 3.89Å; C177-L207 HydrophobicContact CB-CB 4.3Å
178	E	95.8	Very high	96.3	Very high	119 Å²	119	46.6 Å²	46.6	56%	0.556	24%	0.24	S	C	*	.	H	α-helix	trans	-56	-44.4	175.3	-174.5	-172	176.5	0	0	111.8	E174	E174-E178 WeakPolarHBondContact O-CB 3.44Å; E174-E178 PolarHBondContact O-N 3.04Å
179	T	96.4	Very high	96.3	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.043	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-47.7	177.7	-60.3	0	0	0	0	111.5	C149 L152 R153 Y175 L176 C177 S181 S182	C149-T179 HydrophobicContact CB-CG2 4.2Å; C149-T179 WeakPolarHBondContact CB-OG1 3.19Å; C149-T179 PolarHBondContact SG-OG1 2.92Å; L152-T179 HydrophobicContact CB-CG2 3.85Å; R153-T179 HydrophobicContact CG-CG2 3.77Å; Y175-T179 WeakPolarHBondContact O-CB 3.25Å; Y175-T179 PolarHBondContact O-N 3.12Å; Y175-T179 VanDerWaalsContact O-N 3.08Å; Y175-T179 PolarHBondContact O-OG1 3.01Å; L176-T179 PolarHBondContact O-N 3.4Å; C177-T179 VanDerWaalsContact C-N 3.28Å; C177-T179 PolarHBondContact O-N 3.43Å; T179-S181 VanDerWaalsContact C-N 3.32Å; T179-S181 PolarHBondContact O-N 3.31Å; T179-S182 WeakPolarHBondContact O-CB 3.3Å; T179-S182 PolarHBondContact O-N 3.35Å; T179-S182 VanDerWaalsContact O-N 3.16Å
180	L	96.8	Very high	96.3	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-69.4	-28.2	-177.4	-67.1	176.2	0	0	0	112.8	L152 L161 L176 C177 S182 S183 L186 L189 L207	L152-L180 HydrophobicContact CD1-CD2 3.92Å; L161-L180 HydrophobicContact CD2-CD1 4.43Å; L161-L180 HydrophobicContact CD2-CD2 3.86Å; L176-L180 HydrophobicContact CD1-CD1 3.91Å; L176-L180 HydrophobicContact CD1-CG 4.12Å; L176-L180 HydrophobicContact CG-CD1 3.84Å; L176-L180 HydrophobicContact CG-CG 4.39Å; L176-L180 WeakPolarHBondContact O-CB 3.42Å; L176-L180 VanDerWaalsContact O-CG 3.23Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 3.22Å; C177-L180 PolarHBondContact O-N 3.39Å; L180-S182 PolarHBondContact O-N 2.97Å; L180-S183 VanDerWaalsContact O-CB 3.26Å; L180-S183 WeakPolarHBondContact O-CB 3.45Å; L180-S183 PolarHBondContact O-N 2.75Å; L180-L186 HydrophobicContact CB-CD2 4.25Å; L180-L186 HydrophobicContact CD1-CD2 4.46Å; L180-L186 HydrophobicContact CD2-CD2 4Å; L180-L186 HydrophobicContact CG-CD2 4.47Å; L180-L189 HydrophobicContact CD1-CD1 3.86Å; L180-L189 HydrophobicContact CD1-CD2 3.74Å; L180-L189 HydrophobicContact CD1-CG 4.46Å; L180-L207 HydrophobicContact CB-CD1 3.74Å
181	S	94.8	Very high	96.4	Very high	34 Å²	34	45.9 Å²	45.9	24%	0.238	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-24.8	172.4	-73.4	0	0	0	0	113	C177 T179 T210	C177-S181 WeakPolarHBondContact O-CB 3.41Å; C177-S181 PolarHBondContact O-N 3.48Å; C177-S181 PolarHBondContact O-OG 3.31Å; C177-S181 VanDerWaalsContact O-OG 3.07Å; T179-S181 VanDerWaalsContact C-N 3.32Å; T179-S181 PolarHBondContact O-N 3.31Å; S181-T210 WeakPolarHBondContact CB-OG1 3.45Å; S181-T210 PolarHBondContact OG-OG1 3.46Å
182	S	92.7	Very high	96.5	Very high	95 Å²	95	41.9 Å²	41.9	66%	0.664	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.9	176.2	-56.2	0	0	0	0	113.1	T179 L180 T184	T179-S182 WeakPolarHBondContact O-CB 3.3Å; T179-S182 PolarHBondContact O-N 3.35Å; T179-S182 VanDerWaalsContact O-N 3.16Å; L180-S182 PolarHBondContact O-N 2.97Å; S182-T184 PolarHBondContact O-N 2.81Å
183	S	92.3	Very high	96.6	Very high	30 Å²	30	45.9 Å²	45.9	21%	0.21	23%	0.232	C	C	.	.			trans	-68.4	130.7	-179.4	-177.7	0	0	0	0	111.3	L180 E185 L186	L180-S183 VanDerWaalsContact O-CB 3.26Å; L180-S183 WeakPolarHBondContact O-CB 3.45Å; L180-S183 PolarHBondContact O-N 2.75Å; S183-E185 PolarHBondContact OG-N 3.39Å; S183-L186 WeakPolarHBondContact OG-CB 3.33Å; S183-L186 PolarHBondContact OG-N 3.36Å
184	T	91.8	Very high	96.6	Very high	73 Å²	73	46.3 Å²	46.3	45%	0.448	24%	0.235	S	C	.	.	S	Bend	trans	-90.4	-15.9	175.2	56.6	0	0	0	0	113.2	S182 K213	S182-T184 PolarHBondContact O-N 2.81Å; T184-K213 WeakPolarHBondContact O-CD 3.27Å; T184-K213 WeakPolarHBondContact O-CE 3.11Å; T184-K213 WeakPolarHBondContact O-CG 3.31Å; T184-K213 PolarHBondContact O-NZ 3.19Å
185	E	95.2	Very high	96.7	Very high	63 Å²	63	46.8 Å²	46.8	29%	0.294	24%	0.24	S	C	.	.	S	Bend	trans	-114.8	-15.3	-170.5	-62.6	-50.6	128.8	0	0	114.4	T156 T159 S183 L187 K213	T156-E185 WeakPolarHBondContact O-CG 3.16Å; T159-E185 HydrophobicContact CG2-CB 4.2Å; S183-E185 PolarHBondContact OG-N 3.39Å; E185-L187 WeakPolarHBondContact O-CG 3.37Å; E185-L187 PolarHBondContact O-N 3.17Å; E185-L187 VanDerWaalsContact O-N 3.15Å; E185-K213 IonicContact OE1-NZ 2.64Å; E185-K213 PolarHBondContact OE1-NZ 2.79Å; E185-K213 IonicContact OE2-NZ 2.62Å; E185-K213 PolarHBondContact OE2-NZ 3.46Å
186	L	97.4	Very high	96.8	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	22%	0.22	C	C	.	.			trans	-59.8	118.9	-176.7	-170.7	73.6	0	0	0	112.5	L161 L180 S183 L189 K213 L214	L161-L186 HydrophobicContact CB-CD1 4.01Å; L180-L186 HydrophobicContact CB-CD2 4.25Å; L180-L186 HydrophobicContact CD1-CD2 4.46Å; L180-L186 HydrophobicContact CD2-CD2 4Å; L180-L186 HydrophobicContact CG-CD2 4.47Å; S183-L186 WeakPolarHBondContact OG-CB 3.33Å; S183-L186 PolarHBondContact OG-N 3.36Å; L186-L189 HydrophobicContact CD2-CB 4.43Å; L186-K213 CarbonylContact O-C 3.57Å; L186-K213 VanDerWaalsContact O-C 3.29Å; L186-L214 HydrophobicContact CD2-CD1 4.04Å; L186-L214 HydrophobicContact CG-CD1 4.11Å; L186-L214 VanDerWaalsContact O-CA 3.31Å; L186-L214 WeakPolarHBondContact O-CA 3.35Å; L186-L214 PolarHBondContact O-N 3.33Å; L186-L214 VanDerWaalsContact O-N 3.08Å
187	L	98.4	Very high	96.8	Very high	63 Å²	63	44.7 Å²	44.7	33%	0.33	24%	0.236	S	C	.	.			trans	-105	-37.5	177.6	-61.9	179.8	0	0	0	112.5	T159 E185 K213 K215 Y216	T159-L187 HydrophobicContact CG2-CD1 4.41Å; T159-L187 WeakPolarHBondContact O-CA 3.2Å; T159-L187 PolarHBondContact O-N 3.35Å; E185-L187 WeakPolarHBondContact O-CG 3.37Å; E185-L187 PolarHBondContact O-N 3.17Å; E185-L187 VanDerWaalsContact O-N 3.15Å; L187-K213 HydrophobicContact CD2-CB 3.78Å; L187-K213 HydrophobicContact CD2-CD 4.42Å; L187-K215 PolarHBondContact O-N 2.78Å; L187-Y216 PolarHBondContact O-N 2.8Å; L187-Y216 VanDerWaalsContact O-N 3.11Å
188	Q	98.7	Very high	96.7	Very high	87 Å²	87	45.9 Å²	45.9	41%	0.407	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.1	-175.5	-51.6	-167.9	9.4	0	0	112.1	T159 N160 L161 Y216	T159-Q188 PolarHBondContact O-N 2.76Å; N160-Q188 WeakPolarHBondContact CA-O 3.42Å; N160-Q188 HydrophobicContact CB-CB 4.18Å; N160-Q188 WeakPolarHBondContact ND2-CG 3.32Å; N160-Q188 PolarHBondContact ND2-NE2 2.88Å; N160-Q188 PolarHBondContact ND2-OE1 3.48Å; N160-Q188 VanDerWaalsContact ND2-OE1 3.1Å; L161-Q188 PolarHBondContact N-O 2.74Å; Q188-Y216 WeakPolarHBondContact CA-O 3.22Å; Q188-Y216 HydrophobicContact CB-CD1 4.21Å
189	L	98.7	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.8	176.9	179.9	61.8	0	0	0	111	L161 L180 L186 L191 L207 L214 Y216 M217 N218	L161-L189 HydrophobicContact CB-CD1 4.24Å; L161-L189 HydrophobicContact CD2-CD1 4.1Å; L161-L189 HydrophobicContact CG-CD1 4.27Å; L161-L189 WeakPolarHBondContact O-CA 3.25Å; L180-L189 HydrophobicContact CD1-CD1 3.86Å; L180-L189 HydrophobicContact CD1-CD2 3.74Å; L180-L189 HydrophobicContact CD1-CG 4.46Å; L186-L189 HydrophobicContact CD2-CB 4.43Å; L189-L191 HydrophobicContact CD1-CD2 4.33Å; L189-L191 HydrophobicContact CD1-CG 4.09Å; L189-L191 HydrophobicContact CD2-CD1 3.86Å; L189-L191 HydrophobicContact CD2-CG 4.27Å; L189-L191 HydrophobicContact CG-CD1 4.16Å; L189-L191 HydrophobicContact CG-CG 4Å; L189-L207 HydrophobicContact CD2-CD2 3.51Å; L189-L214 HydrophobicContact CB-CD1 3.92Å; L189-Y216 PolarHBondContact N-O 3.44Å; L189-M217 HydrophobicContact CD2-CE 4.37Å; L189-M217 WeakPolarHBondContact O-CA 3.15Å; L189-N218 PolarHBondContact O-N 3.12Å
190	N	98.7	Very high	96.9	Very high	29 Å²	29	44.9 Å²	44.9	16%	0.155	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.9	174.2	-170.5	-6.2	0	0	0	111.4	L161 N162 L163 S164 R192 N218	L161-N190 PolarHBondContact O-N 2.62Å; N162-N190 HydrophobicContact CB-CB 4.25Å; L163-N190 CarbonylContact C-O 3.59Å; L163-N190 PolarHBondContact N-O 3.36Å; S164-N190 PolarHBondContact N-O 2.79Å; N190-R192 WeakPolarHBondContact OD1-CB 3.46Å; N190-R192 PolarHBondContact OD1-N 3.39Å; N190-N218 HydrophobicContact CB-CB 4.46Å
191	L	98.7	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.			trans	-121.7	14.7	-179.2	-69.5	175.2	0	0	0	111.8	L163 L176 L189 N194 F196 F204 N218 I219 N222	L163-L191 HydrophobicContact CB-CD2 4.08Å; L163-L191 HydrophobicContact CD1-CD2 4.01Å; L176-L191 HydrophobicContact CD2-CD2 3.82Å; L189-L191 HydrophobicContact CD1-CD2 4.33Å; L189-L191 HydrophobicContact CD1-CG 4.09Å; L189-L191 HydrophobicContact CD2-CD1 3.86Å; L189-L191 HydrophobicContact CD2-CG 4.27Å; L189-L191 HydrophobicContact CG-CD1 4.16Å; L189-L191 HydrophobicContact CG-CG 4Å; L191-N194 PolarHBondContact O-ND2 3.27Å; L191-F196 HydrophobicContact CB-CE2 3.97Å; L191-F196 HydrophobicContact CD1-CE2 4.43Å; L191-F196 HydrophobicContact CD2-CE2 4.18Å; L191-F196 HydrophobicContact CD2-CZ 4.26Å; L191-F196 HydrophobicContact CG-CE2 4.44Å; L191-F204 HydrophobicContact CD1-CD1 4.32Å; L191-F204 HydrophobicContact CD1-CE1 3.5Å; L191-F204 HydrophobicContact CD1-CZ 4.03Å; L191-N218 CarbonylContact C-O 3.3Å; L191-N218 WeakPolarHBondContact CA-O 3.41Å; L191-N218 PolarHBondContact N-O 3.19Å; L191-I219 HydrophobicContact CB-CG2 4.07Å; L191-I219 HydrophobicContact CD1-CG2 4.18Å; L191-N222 PolarHBondContact O-ND2 2.74Å
192	R	98.7	Very high	97.1	Very high	71 Å²	71	47.3 Å²	47.3	27%	0.268	25%	0.245	S	C	.	.			trans	-51.2	142.8	-179.4	169.6	-179.4	176.1	109.5	-4.6	112.2	S164 E165 N190 N194 N218 S220 Y221	S164-R192 CarbonylContact C-O 3.55Å; S164-R192 WeakPolarHBondContact CA-O 3.23Å; S164-R192 VanDerWaalsContact CB-O 3.24Å; S164-R192 WeakPolarHBondContact CB-O 3.5Å; E165-R192 PolarHBondContact N-O 3.5Å; N190-R192 WeakPolarHBondContact OD1-CB 3.46Å; N190-R192 PolarHBondContact OD1-N 3.39Å; R192-N194 PolarHBondContact O-N 3.24Å; R192-N194 PolarHBondContact O-ND2 3.15Å; R192-N218 PolarHBondContact N-O 3.42Å; R192-S220 CarbonylContact C-O 3.53Å; R192-S220 WeakPolarHBondContact CA-O 3.33Å; R192-S220 WeakPolarHBondContact CD-OG 3.44Å; R192-S220 VanDerWaalsContact CG-OG 3.29Å; R192-S220 WeakPolarHBondContact CG-OG 3.22Å; R192-S220 PolarHBondContact NH1-OG 3.28Å; R192-Y221 HydrophobicContact CG-CD2 4.39Å; R192-Y221 VanDerWaalsContact NH1-CD2 3.34Å
193	K	97.9	Very high	97.4	Very high	83 Å²	83	43.7 Å²	43.7	36%	0.361	22%	0.218	S	C	.	.	S	Bend	trans	55.5	52.9	169.5	-166.1	176.8	168.4	-160.9	0	112.3	E165 S220 Y221	E165-K193 CarbonylContact C-O 3.6Å; E165-K193 WeakPolarHBondContact CA-O 3.42Å; E165-K193 HydrophobicContact CG-CB 4.19Å; E165-K193 HydrophobicContact CG-CD 3.95Å; E165-K193 HydrophobicContact CG-CG 4.46Å; E165-K193 PolarHBondContact N-O 2.93Å; E165-K193 IonicContact OE2-NZ 2.86Å; E165-K193 PolarHBondContact OE2-NZ 2.83Å; K193-S220 PolarHBondContact N-O 3.09Å; K193-Y221 VanDerWaalsContact CA-O 3.26Å; K193-Y221 WeakPolarHBondContact CA-O 3.45Å
194	N	98.2	Very high	97.7	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.053	21%	0.208	C	C	.	.	S	Bend	trans	-107.2	-163.1	167.1	-86	-78.6	0	0	0	108.5	L163 N166 L168 L191 R192 F196 N222	L163-N194 PolarHBondContact O-ND2 2.83Å; N166-N194 WeakPolarHBondContact CA-OD1 3.49Å; N166-N194 VanDerWaalsContact CB-OD1 3.24Å; N166-N194 WeakPolarHBondContact CB-OD1 3.25Å; N166-N194 PolarHBondContact N-OD1 2.93Å; N166-N194 PolarHBondContact O-OD1 2.7Å; L168-N194 HydrophobicContact CB-CB 4.43Å; L168-N194 WeakPolarHBondContact CB-OD1 3.46Å; L168-N194 PolarHBondContact N-OD1 3.21Å; L191-N194 PolarHBondContact O-ND2 3.27Å; R192-N194 PolarHBondContact O-N 3.24Å; R192-N194 PolarHBondContact O-ND2 3.15Å; N194-F196 HydrophobicContact CB-CD2 3.48Å; N194-F196 VanDerWaalsContact CB-CD2 3.48Å; N194-F196 HydrophobicContact CB-CE2 3.33Å; N194-F196 HydrophobicContact CB-CG 4.36Å; N194-F196 HydrophobicContact CB-CZ 4.14Å; N194-N222 WeakPolarHBondContact CA-OD1 3.05Å; N194-N222 WeakPolarHBondContact CB-OD1 3.48Å; N194-N222 PolarHBondContact N-OD1 3.01Å; N194-N222 VanDerWaalsContact N-OD1 3.13Å; N194-N222 PolarHBondContact O-OD1 3.26Å; N194-N222 VanDerWaalsContact O-OD1 3.12Å
195	L	98	Very high	98	Very high	100 Å²	100	39.5 Å²	39.5	52%	0.524	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-111.1	35	179.1	-58.4	175.2	0	0	0	110.7	H167 L168 T169 D197	H167-L195 HydrophobicContact CB-CD1 4.15Å; L168-L195 CarbonylContact O-C 3.43Å; L168-L195 WeakPolarHBondContact O-CA 3.44Å; L168-L195 PolarHBondContact O-N 3.29Å; T169-L195 WeakPolarHBondContact CA-O 3.4Å; T169-L195 HydrophobicContact CG2-CB 4.13Å; L195-D197 PolarHBondContact O-N 3.36Å
196	F	98.4	Very high	98.2	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	20%	0.196	C	C	.	.			trans	-73.4	125.2	176.4	-60.8	-61.7	0	0	0	109.8	L168 T169 A173 L191 N194 A200 F204 N222 D223 L224	L168-F196 HydrophobicContact CB-CE1 3.98Å; L168-F196 HydrophobicContact CB-CE2 4.4Å; L168-F196 HydrophobicContact CB-CZ 3.63Å; L168-F196 HydrophobicContact CD1-CZ 4.29Å; T169-F196 WeakPolarHBondContact O-CD1 3.44Å; T169-F196 VanDerWaalsContact O-CE1 3.22Å; T169-F196 WeakPolarHBondContact O-CE1 3.21Å; A173-F196 HydrophobicContact CB-CD1 3.87Å; A173-F196 HydrophobicContact CB-CE1 3.73Å; L191-F196 HydrophobicContact CB-CE2 3.97Å; L191-F196 HydrophobicContact CD1-CE2 4.43Å; L191-F196 HydrophobicContact CD2-CE2 4.18Å; L191-F196 HydrophobicContact CD2-CZ 4.26Å; L191-F196 HydrophobicContact CG-CE2 4.44Å; N194-F196 HydrophobicContact CB-CD2 3.48Å; N194-F196 VanDerWaalsContact CB-CD2 3.48Å; N194-F196 HydrophobicContact CB-CE2 3.33Å; N194-F196 HydrophobicContact CB-CG 4.36Å; N194-F196 HydrophobicContact CB-CZ 4.14Å; F196-A200 HydrophobicContact CB-CB 3.81Å; F196-A200 HydrophobicContact CD1-CB 4.04Å; F196-A200 HydrophobicContact CG-CB 4.23Å; F196-F204 HydrophobicContact CB-CE2 4.23Å; F196-F204 HydrophobicContact CB-CZ 4.3Å; F196-F204 HydrophobicContact CD1-CZ 4.03Å; F196-F204 HydrophobicContact CD2-CE2 4.38Å; F196-F204 AromaticContact CD2-CZ 3.78Å; F196-F204 HydrophobicContact CD2-CZ 3.78Å; F196-F204 HydrophobicContact CE1-CZ 4.31Å; F196-F204 HydrophobicContact CE2-CZ 4.09Å; F196-F204 HydrophobicContact CG-CE2 4.2Å; F196-F204 AromaticContact CG-CZ 3.77Å; F196-F204 HydrophobicContact CG-CZ 3.77Å; F196-F204 HydrophobicContact CZ-CZ 4.34Å; F196-N222 HydrophobicContact CB-CB 4.13Å; F196-N222 VanDerWaalsContact CD2-OD1 3.31Å; F196-N222 WeakPolarHBondContact CD2-OD1 3.19Å; F196-N222 PolarHBondContact N-OD1 3.22Å; F196-D223 PolarHBondContact O-N 3.02Å; F196-L224 HydrophobicContact CB-CD2 4.42Å
197	D	97.8	Very high	98.2	Very high	61 Å²	61	40.3 Å²	40.3	33%	0.326	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-99.5	-174.3	173.6	68	23.7	0	0	0	111.1	S170 L195 I199 A200 L224	S170-D197 VanDerWaalsContact CB-OD1 3.3Å; S170-D197 WeakPolarHBondContact CB-OD1 3.33Å; S170-D197 PolarHBondContact OG-N 3.4Å; S170-D197 PolarHBondContact OG-OD1 3.18Å; L195-D197 PolarHBondContact O-N 3.36Å; D197-I199 PolarHBondContact O-N 2.93Å; D197-I199 VanDerWaalsContact OD1-CB 3.23Å; D197-I199 WeakPolarHBondContact OD1-CB 3.25Å; D197-I199 WeakPolarHBondContact OD1-CG1 3.1Å; D197-I199 PolarHBondContact OD1-N 3.2Å; D197-A200 WeakPolarHBondContact O-CB 3.02Å; D197-A200 PolarHBondContact O-N 3.33Å; D197-L224 VanDerWaalsContact O-CD2 3.28Å; D197-L224 WeakPolarHBondContact O-CD2 3.26Å
198	D	96.6	Very high	98.2	Very high	28 Å²	28	37.4 Å²	37.4	15%	0.15	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.7	-173.9	-147.2	16.9	0	0	0	114.6	G225 E226 L227 S228	D198-G225 VanDerWaalsContact CG-N 3.34Å; D198-G225 VanDerWaalsContact OD1-C 3.27Å; D198-G225 VanDerWaalsContact OD1-CA 3.3Å; D198-G225 WeakPolarHBondContact OD1-CA 3.25Å; D198-G225 PolarHBondContact OD1-N 3.26Å; D198-E226 PolarHBondContact OD2-N 3.07Å; D198-L227 HydrophobicContact CB-CB 4.48Å; D198-L227 PolarHBondContact OD1-N 2.94Å; D198-L227 VanDerWaalsContact OD2-CB 3.25Å; D198-L227 WeakPolarHBondContact OD2-CB 3.42Å; D198-L227 WeakPolarHBondContact OD2-CG 3.33Å; D198-L227 PolarHBondContact OD2-N 3.29Å; D198-S228 PolarHBondContact O-OG 2.97Å; D198-S228 WeakPolarHBondContact OD1-CA 3.3Å; D198-S228 WeakPolarHBondContact OD1-CB 3.2Å; D198-S228 PolarHBondContact OD1-N 3.27Å; D198-S228 PolarHBondContact OD1-OG 3.46Å
199	I	97.7	Very high	98.1	Very high	105 Å²	105	35.3 Å²	35.3	54%	0.538	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-36.3	175.2	-58.5	172	0	0	0	110.4	D197 G201 K202 F203	D197-I199 PolarHBondContact O-N 2.93Å; D197-I199 VanDerWaalsContact OD1-CB 3.23Å; D197-I199 WeakPolarHBondContact OD1-CB 3.25Å; D197-I199 WeakPolarHBondContact OD1-CG1 3.1Å; D197-I199 PolarHBondContact OD1-N 3.2Å; I199-G201 PolarHBondContact O-N 2.88Å; I199-G201 VanDerWaalsContact O-N 3.13Å; I199-K202 PolarHBondContact O-N 2.93Å; I199-F203 HydrophobicContact CG2-CE2 4.32Å
200	A	98.3	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-23.8	-178.6	0	0	0	0	0	113	A173 F196 D197 K202 F203 F204 L224	A173-A200 HydrophobicContact CB-CB 3.93Å; F196-A200 HydrophobicContact CB-CB 3.81Å; F196-A200 HydrophobicContact CD1-CB 4.04Å; F196-A200 HydrophobicContact CG-CB 4.23Å; D197-A200 WeakPolarHBondContact O-CB 3.02Å; D197-A200 PolarHBondContact O-N 3.33Å; A200-K202 PolarHBondContact O-N 3.35Å; A200-F203 PolarHBondContact O-N 3.42Å; A200-F204 HydrophobicContact CB-CD2 4.14Å; A200-F204 HydrophobicContact CB-CE2 3.61Å; A200-F204 HydrophobicContact CB-CZ 3.98Å; A200-F204 WeakPolarHBondContact O-CD2 3.37Å; A200-F204 WeakPolarHBondContact O-CG 3.48Å; A200-F204 PolarHBondContact O-N 2.63Å; A200-L224 HydrophobicContact CB-CD2 4.33Å
201	G	97.9	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55	-33.4	178	0	0	0	0	0	113.9	I199 S205 S228	I199-G201 PolarHBondContact O-N 2.88Å; I199-G201 VanDerWaalsContact O-N 3.13Å; G201-S205 VanDerWaalsContact O-CB 3.3Å; G201-S205 WeakPolarHBondContact O-CB 3.28Å; G201-S205 PolarHBondContact O-N 2.91Å; G201-S205 PolarHBondContact O-OG 3Å; G201-S228 WeakPolarHBondContact CA-OG 3.4Å
202	K	98.2	Very high	97.7	Very high	90 Å²	90	47.5 Å²	47.5	39%	0.391	23%	0.226	S	C	.	.	H	α-helix	trans	-60.7	-53.3	173.8	-179.5	-170.3	168.8	-166.4	0	110.9	I199 A200 F204 S205 E206 Y231	I199-K202 PolarHBondContact O-N 2.93Å; A200-K202 PolarHBondContact O-N 3.35Å; K202-F204 PolarHBondContact O-N 3.2Å; K202-S205 WeakPolarHBondContact O-CB 3.26Å; K202-S205 PolarHBondContact O-N 3.25Å; K202-S205 VanDerWaalsContact O-N 3.16Å; K202-S205 PolarHBondContact O-OG 3.46Å; K202-E206 WeakPolarHBondContact CE-OE1 3.49Å; K202-E206 PolarHBondContact O-N 3.22Å; K202-Y231 HydrophobicContact CB-CD2 4.18Å; K202-Y231 HydrophobicContact CB-CE1 4.49Å; K202-Y231 HydrophobicContact CB-CE2 4.11Å; K202-Y231 HydrophobicContact CB-CG 4.41Å
203	F	98.5	Very high	97.6	Very high	19 Å²	19	47.8 Å²	47.8	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-36.8	-176.9	-53.9	-60.6	0	0	0	112.3	A173 E174 C177 I199 A200 S205 E206 L207	A173-F203 HydrophobicContact CB-CB 4.43Å; A173-F203 HydrophobicContact CB-CD2 3.96Å; E174-F203 HydrophobicContact CB-CD1 4.18Å; E174-F203 HydrophobicContact CB-CD2 4.21Å; E174-F203 HydrophobicContact CB-CE1 3.72Å; E174-F203 HydrophobicContact CB-CE2 3.77Å; E174-F203 HydrophobicContact CB-CG 4.4Å; E174-F203 HydrophobicContact CB-CZ 3.5Å; E174-F203 VanDerWaalsContact CB-CZ 3.5Å; E174-F203 HydrophobicContact CG-CD1 4.28Å; E174-F203 HydrophobicContact CG-CE1 3.58Å; E174-F203 HydrophobicContact CG-CE2 4.46Å; E174-F203 HydrophobicContact CG-CZ 3.69Å; C177-F203 HydrophobicContact CB-CB 3.89Å; I199-F203 HydrophobicContact CG2-CE2 4.32Å; A200-F203 PolarHBondContact O-N 3.42Å; F203-S205 VanDerWaalsContact C-N 3.33Å; F203-S205 PolarHBondContact O-N 3.13Å; F203-E206 PolarHBondContact O-N 2.99Å; F203-L207 WeakPolarHBondContact O-CB 3.45Å; F203-L207 PolarHBondContact O-N 2.96Å
204	F	98.5	Very high	97.7	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-37.5	172.7	-61.7	-33.4	0	0	0	112.3	A173 L191 F196 A200 K202 L207 I208 M217 I219 L224	A173-F204 HydrophobicContact CB-CE1 4.46Å; L191-F204 HydrophobicContact CD1-CD1 4.32Å; L191-F204 HydrophobicContact CD1-CE1 3.5Å; L191-F204 HydrophobicContact CD1-CZ 4.03Å; F196-F204 HydrophobicContact CB-CE2 4.23Å; F196-F204 HydrophobicContact CB-CZ 4.3Å; F196-F204 HydrophobicContact CD1-CZ 4.03Å; F196-F204 HydrophobicContact CD2-CE2 4.38Å; F196-F204 AromaticContact CD2-CZ 3.78Å; F196-F204 HydrophobicContact CD2-CZ 3.78Å; F196-F204 HydrophobicContact CE1-CZ 4.31Å; F196-F204 HydrophobicContact CE2-CZ 4.09Å; F196-F204 HydrophobicContact CG-CE2 4.2Å; F196-F204 AromaticContact CG-CZ 3.77Å; F196-F204 HydrophobicContact CG-CZ 3.77Å; F196-F204 HydrophobicContact CZ-CZ 4.34Å; A200-F204 HydrophobicContact CB-CD2 4.14Å; A200-F204 HydrophobicContact CB-CE2 3.61Å; A200-F204 HydrophobicContact CB-CZ 3.98Å; A200-F204 WeakPolarHBondContact O-CD2 3.37Å; A200-F204 WeakPolarHBondContact O-CG 3.48Å; A200-F204 PolarHBondContact O-N 2.63Å; K202-F204 PolarHBondContact O-N 3.2Å; F204-L207 PolarHBondContact O-N 3.43Å; F204-I208 PolarHBondContact O-N 2.99Å; F204-I208 VanDerWaalsContact O-N 3.09Å; F204-M217 HydrophobicContact CB-CE 3.93Å; F204-M217 HydrophobicContact CD1-CE 3.56Å; F204-M217 HydrophobicContact CE1-CE 4.3Å; F204-M217 HydrophobicContact CG-CE 3.86Å; F204-I219 HydrophobicContact CB-CD1 4.32Å; F204-I219 HydrophobicContact CD1-CG2 4.44Å; F204-I219 HydrophobicContact CD2-CD1 3.63Å; F204-I219 HydrophobicContact CD2-CG2 4.23Å; F204-I219 HydrophobicContact CE1-CG2 4.32Å; F204-I219 HydrophobicContact CE2-CB 4.36Å; F204-I219 HydrophobicContact CE2-CD1 4.18Å; F204-I219 HydrophobicContact CE2-CG2 4.07Å; F204-I219 HydrophobicContact CG-CD1 4.11Å; F204-I219 HydrophobicContact CG-CG2 4.41Å; F204-I219 HydrophobicContact CZ-CG2 4.12Å; F204-L224 HydrophobicContact CD2-CD1 4.38Å; F204-L224 HydrophobicContact CD2-CD2 4.49Å; F204-L224 HydrophobicContact CE2-CD1 4.39Å; F204-L224 HydrophobicContact CE2-CD2 4.22Å
205	S	98.2	Very high	97.7	Very high	13 Å²	13	47.3 Å²	47.3	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-38	175.7	79.2	0	0	0	0	112.6	G201 K202 F203 I208 T209	G201-S205 VanDerWaalsContact O-CB 3.3Å; G201-S205 WeakPolarHBondContact O-CB 3.28Å; G201-S205 PolarHBondContact O-N 2.91Å; G201-S205 PolarHBondContact O-OG 3Å; K202-S205 WeakPolarHBondContact O-CB 3.26Å; K202-S205 PolarHBondContact O-N 3.25Å; K202-S205 VanDerWaalsContact O-N 3.16Å; K202-S205 PolarHBondContact O-OG 3.46Å; F203-S205 VanDerWaalsContact C-N 3.33Å; F203-S205 PolarHBondContact O-N 3.13Å; S205-I208 WeakPolarHBondContact O-CG1 3.45Å; S205-T209 WeakPolarHBondContact O-CG2 3.46Å; S205-T209 PolarHBondContact O-OG1 2.81Å
206	E	98	Very high	97.7	Very high	86 Å²	86	45.1 Å²	45.1	40%	0.402	21%	0.211	S	C	.	.	H	α-helix	trans	-67.6	-40.7	173.3	-71.6	171.5	-171.5	0	0	111.1	K202 F203 T209 T210	K202-E206 WeakPolarHBondContact CE-OE1 3.49Å; K202-E206 PolarHBondContact O-N 3.22Å; F203-E206 PolarHBondContact O-N 2.99Å; E206-T209 PolarHBondContact O-N 2.65Å; E206-T209 PolarHBondContact O-OG1 3.29Å; E206-T210 WeakPolarHBondContact O-CB 3.46Å; E206-T210 VanDerWaalsContact O-CG2 3.22Å; E206-T210 WeakPolarHBondContact O-CG2 3.35Å; E206-T210 PolarHBondContact O-N 3.05Å; E206-T210 VanDerWaalsContact O-N 3.1Å; E206-T210 PolarHBondContact O-OG1 2.77Å
207	L	98.3	Very high	97.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-52.6	178.6	-176.6	67.4	0	0	0	111.9	C177 L180 L189 F203 F204 T209 T210 T211 M217	C177-L207 HydrophobicContact CB-CB 4.3Å; L180-L207 HydrophobicContact CB-CD1 3.74Å; L189-L207 HydrophobicContact CD2-CD2 3.51Å; F203-L207 WeakPolarHBondContact O-CB 3.45Å; F203-L207 PolarHBondContact O-N 2.96Å; F204-L207 PolarHBondContact O-N 3.43Å; L207-T209 PolarHBondContact O-N 3.28Å; L207-T209 VanDerWaalsContact O-N 3.14Å; L207-T210 PolarHBondContact O-N 3.36Å; L207-T210 PolarHBondContact O-OG1 2.95Å; L207-T211 HydrophobicContact CD1-CG2 3.53Å; L207-T211 HydrophobicContact CG-CG2 3.99Å; L207-T211 VanDerWaalsContact O-CG2 3.29Å; L207-T211 WeakPolarHBondContact O-CG2 3.48Å; L207-T211 PolarHBondContact O-N 2.76Å; L207-T211 PolarHBondContact O-OG1 3.2Å; L207-M217 HydrophobicContact CD2-CE 3.94Å; L207-M217 HydrophobicContact CD2-SD 4.32Å
208	I	98.1	Very high	97.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-19.7	-175.8	64.5	176.2	0	0	0	113.7	F204 S205 M217 A235 A239 L242 F245	F204-I208 PolarHBondContact O-N 2.99Å; F204-I208 VanDerWaalsContact O-N 3.09Å; S205-I208 WeakPolarHBondContact O-CG1 3.45Å; I208-M217 HydrophobicContact CG2-SD 3.41Å; I208-M217 WeakPolarHBondContact CG2-SD 3.4Å; I208-A235 HydrophobicContact CD1-CB 3.92Å; I208-A235 HydrophobicContact CG1-CB 4.12Å; I208-A239 HydrophobicContact CB-CB 4.28Å; I208-A239 HydrophobicContact CD1-CB 4.25Å; I208-A239 HydrophobicContact CG1-CB 4.29Å; I208-A239 WeakPolarHBondContact O-CA 3.38Å; I208-L242 HydrophobicContact CB-CD2 4.39Å; I208-L242 HydrophobicContact CG2-CD2 4.01Å; I208-F245 HydrophobicContact CD1-CE1 4.19Å
209	T	97.6	Very high	97.9	Very high	43 Å²	43	41.1 Å²	41.1	26%	0.264	19%	0.19	S	C	.	.	H	α-helix	trans	-91.9	-24.1	178	53.6	0	0	0	0	113.2	S205 E206 L207 A235 Q238	S205-T209 WeakPolarHBondContact O-CG2 3.46Å; S205-T209 PolarHBondContact O-OG1 2.81Å; E206-T209 PolarHBondContact O-N 2.65Å; E206-T209 PolarHBondContact O-OG1 3.29Å; L207-T209 PolarHBondContact O-N 3.28Å; L207-T209 VanDerWaalsContact O-N 3.14Å; T209-A235 HydrophobicContact CG2-CB 3.62Å; T209-A235 WeakPolarHBondContact CG2-O 3.43Å; T209-Q238 HydrophobicContact CG2-CB 3.65Å
210	T	96.8	Very high	97.9	Very high	70 Å²	70	36.1 Å²	36.1	43%	0.429	16%	0.164	S	C	.	.	H	α-helix	trans	-97.2	-29.6	-175.2	51.7	0	0	0	0	113.5	S181 E206 L207	S181-T210 WeakPolarHBondContact CB-OG1 3.45Å; S181-T210 PolarHBondContact OG-OG1 3.46Å; E206-T210 WeakPolarHBondContact O-CB 3.46Å; E206-T210 VanDerWaalsContact O-CG2 3.22Å; E206-T210 WeakPolarHBondContact O-CG2 3.35Å; E206-T210 PolarHBondContact O-N 3.05Å; E206-T210 VanDerWaalsContact O-N 3.1Å; E206-T210 PolarHBondContact O-OG1 2.77Å; L207-T210 PolarHBondContact O-N 3.36Å; L207-T210 PolarHBondContact O-OG1 2.95Å
211	T	95.5	Very high	97.9	Very high	11 Å²	11	39.9 Å²	39.9	7%	0.067	18%	0.179	C	C	.	.			trans	-65.2	140.7	-178.5	52.7	0	0	0	0	112.6	L207 L214	L207-T211 HydrophobicContact CD1-CG2 3.53Å; L207-T211 HydrophobicContact CG-CG2 3.99Å; L207-T211 VanDerWaalsContact O-CG2 3.29Å; L207-T211 WeakPolarHBondContact O-CG2 3.48Å; L207-T211 PolarHBondContact O-N 2.76Å; L207-T211 PolarHBondContact O-OG1 3.2Å; T211-L214 HydrophobicContact CG2-CB 4.07Å; T211-L214 HydrophobicContact CG2-CD2 4.19Å; T211-L214 WeakPolarHBondContact OG1-CB 3.47Å
212	R	94.5	Very high	97.9	Very high	205 Å²	205	40.6 Å²	40.6	77%	0.774	18%	0.183	S	C	*	.	S	Bend	trans	-95.7	-20.7	-177	-60.8	-174	-176.5	-160.3	1.7	115.1	T241	R212-T241 VanDerWaalsContact C-CG2 3.46Å; R212-T241 WeakPolarHBondContact O-CG2 3.48Å
213	K	97.6	Very high	97.9	Very high	76 Å²	76	39.7 Å²	39.7	33%	0.33	18%	0.182	S	C	.	.	S	Bend	trans	-128.8	-11.7	-177.9	-60.3	-165.4	-169.3	168.8	0	114.8	T184 E185 L186 L187 K215	T184-K213 WeakPolarHBondContact O-CD 3.27Å; T184-K213 WeakPolarHBondContact O-CE 3.11Å; T184-K213 WeakPolarHBondContact O-CG 3.31Å; T184-K213 PolarHBondContact O-NZ 3.19Å; E185-K213 IonicContact OE1-NZ 2.64Å; E185-K213 PolarHBondContact OE1-NZ 2.79Å; E185-K213 IonicContact OE2-NZ 2.62Å; E185-K213 PolarHBondContact OE2-NZ 3.46Å; L186-K213 CarbonylContact O-C 3.57Å; L186-K213 VanDerWaalsContact O-C 3.29Å; L187-K213 HydrophobicContact CD2-CB 3.78Å; L187-K213 HydrophobicContact CD2-CD 4.42Å; K213-K215 WeakPolarHBondContact O-CD 3.32Å; K213-K215 VanDerWaalsContact O-CG 3.3Å; K213-K215 WeakPolarHBondContact O-CG 3.39Å; K213-K215 PolarHBondContact O-N 3.49Å; K213-K215 VanDerWaalsContact O-N 3.08Å
214	L	98.2	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.178	C	C	.	.			trans	-56.6	116.1	-175	-174.5	68.9	0	0	0	110.7	L186 L189 T211 Y216 M217 T241 L242	L186-L214 HydrophobicContact CD2-CD1 4.04Å; L186-L214 HydrophobicContact CG-CD1 4.11Å; L186-L214 VanDerWaalsContact O-CA 3.31Å; L186-L214 WeakPolarHBondContact O-CA 3.35Å; L186-L214 PolarHBondContact O-N 3.33Å; L186-L214 VanDerWaalsContact O-N 3.08Å; L189-L214 HydrophobicContact CB-CD1 3.92Å; T211-L214 HydrophobicContact CG2-CB 4.07Å; T211-L214 HydrophobicContact CG2-CD2 4.19Å; T211-L214 WeakPolarHBondContact OG1-CB 3.47Å; L214-Y216 WeakPolarHBondContact CD1-O 3.24Å; L214-M217 HydrophobicContact CD2-CB 4.38Å; L214-M217 HydrophobicContact CD2-SD 4.25Å; L214-T241 CarbonylContact O-C 3.35Å; L214-T241 VanDerWaalsContact O-CB 3.3Å; L214-T241 WeakPolarHBondContact O-CB 3.42Å; L214-T241 PolarHBondContact O-OG1 2.78Å; L214-L242 HydrophobicContact CD2-CD1 4.42Å; L214-L242 HydrophobicContact CG-CD1 4.29Å; L214-L242 WeakPolarHBondContact O-CA 3.29Å; L214-L242 PolarHBondContact O-N 3.27Å
215	K	98.6	Very high	97.8	Very high	84 Å²	84	38.9 Å²	38.9	37%	0.365	18%	0.18	S	C	.	.			trans	-103.1	-34.1	-178.6	-61.8	-46.6	-170.8	174.3	0	112.7	L187 K213 T241 L243 E244	L187-K215 PolarHBondContact O-N 2.78Å; K213-K215 WeakPolarHBondContact O-CD 3.32Å; K213-K215 VanDerWaalsContact O-CG 3.3Å; K213-K215 WeakPolarHBondContact O-CG 3.39Å; K213-K215 PolarHBondContact O-N 3.49Å; K213-K215 VanDerWaalsContact O-N 3.08Å; K215-T241 WeakPolarHBondContact CD-O 3.19Å; K215-T241 PolarHBondContact NZ-O 2.98Å; K215-L243 HydrophobicContact CB-CD1 4.44Å; K215-L243 HydrophobicContact CD-CD1 3.93Å; K215-L243 HydrophobicContact CD-CG 4.06Å; K215-L243 HydrophobicContact CG-CD1 4.41Å; K215-L243 PolarHBondContact O-N 3.02Å; K215-E244 PolarHBondContact O-N 2.99Å
216	Y	98.8	Very high	97.7	Very high	54 Å²	54	42 Å²	42	21%	0.212	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.2	-176.7	174.6	-87.2	0	0	0	110.9	L187 Q188 L189 L214 N218 E244	L187-Y216 PolarHBondContact O-N 2.8Å; L187-Y216 VanDerWaalsContact O-N 3.11Å; Q188-Y216 WeakPolarHBondContact CA-O 3.22Å; Q188-Y216 HydrophobicContact CB-CD1 4.21Å; L189-Y216 PolarHBondContact N-O 3.44Å; L214-Y216 WeakPolarHBondContact CD1-O 3.24Å; Y216-N218 HydrophobicContact CE1-CB 3.71Å; Y216-N218 WeakPolarHBondContact OH-CB 3.18Å; Y216-N218 PolarHBondContact OH-ND2 3.32Å; Y216-E244 WeakPolarHBondContact CA-O 3.43Å; Y216-E244 HydrophobicContact CD2-CB 3.62Å; Y216-E244 HydrophobicContact CD2-CG 4.4Å; Y216-E244 WeakPolarHBondContact CD2-OE2 3.23Å; Y216-E244 HydrophobicContact CE2-CB 4.38Å; Y216-E244 HydrophobicContact CG-CB 4.43Å
217	M	98.7	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.7	172.1	-171.2	169	178.2	0	0	111.1	L189 F204 L207 I208 L214 I219 L242 E244 F245 D246	L189-M217 HydrophobicContact CD2-CE 4.37Å; L189-M217 WeakPolarHBondContact O-CA 3.15Å; F204-M217 HydrophobicContact CB-CE 3.93Å; F204-M217 HydrophobicContact CD1-CE 3.56Å; F204-M217 HydrophobicContact CE1-CE 4.3Å; F204-M217 HydrophobicContact CG-CE 3.86Å; L207-M217 HydrophobicContact CD2-CE 3.94Å; L207-M217 HydrophobicContact CD2-SD 4.32Å; I208-M217 HydrophobicContact CG2-SD 3.41Å; I208-M217 WeakPolarHBondContact CG2-SD 3.4Å; L214-M217 HydrophobicContact CD2-CB 4.38Å; L214-M217 HydrophobicContact CD2-SD 4.25Å; M217-I219 HydrophobicContact CE-CG2 3.55Å; M217-I219 HydrophobicContact CG-CG2 4.27Å; M217-L242 HydrophobicContact CB-CD1 3.79Å; M217-E244 PolarHBondContact N-O 2.79Å; M217-F245 HydrophobicContact CB-CD2 4.17Å; M217-F245 HydrophobicContact CB-CE2 4.26Å; M217-F245 HydrophobicContact CG-CD2 4.47Å; M217-F245 HydrophobicContact CG-CE2 4.1Å; M217-F245 WeakPolarHBondContact O-CA 3.4Å; M217-F245 WeakPolarHBondContact O-CD2 3.23Å; M217-F245 HydrophobicContact SD-CE2 4.25Å; M217-D246 PolarHBondContact O-N 2.93Å
218	N	98.8	Very high	97.7	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.032	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.4	174.2	-167.7	-29.5	0	0	0	111	L189 N190 L191 R192 Y216 S220 D246	L189-N218 PolarHBondContact O-N 3.12Å; N190-N218 HydrophobicContact CB-CB 4.46Å; L191-N218 CarbonylContact C-O 3.3Å; L191-N218 WeakPolarHBondContact CA-O 3.41Å; L191-N218 PolarHBondContact N-O 3.19Å; R192-N218 PolarHBondContact N-O 3.42Å; Y216-N218 HydrophobicContact CE1-CB 3.71Å; Y216-N218 WeakPolarHBondContact OH-CB 3.18Å; Y216-N218 PolarHBondContact OH-ND2 3.32Å; N218-S220 VanDerWaalsContact OD1-CB 3.25Å; N218-S220 WeakPolarHBondContact OD1-CB 3.46Å; N218-S220 PolarHBondContact OD1-N 2.99Å; N218-S220 PolarHBondContact OD1-OG 2.74Å; N218-D246 HydrophobicContact CB-CB 4.15Å; N218-D246 PolarHBondContact ND2-OD2 3.48Å
219	I	98.7	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.			trans	-123	26.9	173.3	63.2	-174.8	0	0	0	111.4	L191 F204 M217 N222 L224 I232 F245 D246 L247 N250	L191-I219 HydrophobicContact CB-CG2 4.07Å; L191-I219 HydrophobicContact CD1-CG2 4.18Å; F204-I219 HydrophobicContact CB-CD1 4.32Å; F204-I219 HydrophobicContact CD1-CG2 4.44Å; F204-I219 HydrophobicContact CD2-CD1 3.63Å; F204-I219 HydrophobicContact CD2-CG2 4.23Å; F204-I219 HydrophobicContact CE1-CG2 4.32Å; F204-I219 HydrophobicContact CE2-CB 4.36Å; F204-I219 HydrophobicContact CE2-CD1 4.18Å; F204-I219 HydrophobicContact CE2-CG2 4.07Å; F204-I219 HydrophobicContact CG-CD1 4.11Å; F204-I219 HydrophobicContact CG-CG2 4.41Å; F204-I219 HydrophobicContact CZ-CG2 4.12Å; M217-I219 HydrophobicContact CE-CG2 3.55Å; M217-I219 HydrophobicContact CG-CG2 4.27Å; I219-N222 PolarHBondContact O-ND2 2.75Å; I219-L224 HydrophobicContact CB-CD1 4.37Å; I219-L224 HydrophobicContact CD1-CD1 3.56Å; I219-L224 HydrophobicContact CG1-CD1 3.85Å; I219-I232 HydrophobicContact CD1-CD1 4.13Å; I219-F245 HydrophobicContact CD1-CE2 3.74Å; I219-F245 HydrophobicContact CD1-CZ 3.86Å; I219-F245 HydrophobicContact CG1-CE2 3.87Å; I219-F245 HydrophobicContact CG1-CZ 4.47Å; I219-D246 PolarHBondContact N-O 3.07Å; I219-L247 HydrophobicContact CD1-CD2 3.5Å; I219-L247 VanDerWaalsContact CD1-CD2 3.5Å; I219-L247 HydrophobicContact CG1-CD2 3.59Å; I219-N250 PolarHBondContact O-ND2 3.31Å
220	S	98.6	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.189	C	C	.	.			trans	-64.3	160.1	179.3	62.5	0	0	0	0	113.2	R192 K193 N218 N222 D246 S248	R192-S220 CarbonylContact C-O 3.53Å; R192-S220 WeakPolarHBondContact CA-O 3.33Å; R192-S220 WeakPolarHBondContact CD-OG 3.44Å; R192-S220 VanDerWaalsContact CG-OG 3.29Å; R192-S220 WeakPolarHBondContact CG-OG 3.22Å; R192-S220 PolarHBondContact NH1-OG 3.28Å; K193-S220 PolarHBondContact N-O 3.09Å; N218-S220 VanDerWaalsContact OD1-CB 3.25Å; N218-S220 WeakPolarHBondContact OD1-CB 3.46Å; N218-S220 PolarHBondContact OD1-N 2.99Å; N218-S220 PolarHBondContact OD1-OG 2.74Å; S220-N222 VanDerWaalsContact C-N 3.34Å; S220-N222 PolarHBondContact O-N 2.89Å; S220-N222 PolarHBondContact O-ND2 3.47Å; S220-D246 PolarHBondContact N-O 2.89Å; S220-S248 CarbonylContact C-O 3.58Å; S220-S248 WeakPolarHBondContact CA-O 3.22Å; S220-S248 WeakPolarHBondContact CB-O 3.14Å; S220-S248 VanDerWaalsContact CB-OG 3.25Å; S220-S248 WeakPolarHBondContact CB-OG 3.1Å
221	Y	98.3	Very high	97.8	Very high	79 Å²	79	41.9 Å²	41.9	31%	0.31	18%	0.184	S	C	.	.	S	Bend	trans	57.9	41.7	178.6	-71.4	-98.1	0	0	0	113.6	R192 K193 S248 W249	R192-Y221 HydrophobicContact CG-CD2 4.39Å; R192-Y221 VanDerWaalsContact NH1-CD2 3.34Å; K193-Y221 VanDerWaalsContact CA-O 3.26Å; K193-Y221 WeakPolarHBondContact CA-O 3.45Å; Y221-S248 PolarHBondContact N-O 3.34Å; Y221-W249 WeakPolarHBondContact CA-O 3.24Å; Y221-W249 HydrophobicContact CD1-CB 3.75Å; Y221-W249 HydrophobicContact CD1-CD2 4.11Å; Y221-W249 HydrophobicContact CD1-CE3 4.32Å; Y221-W249 AromaticContact CD1-CG 3.88Å; Y221-W249 HydrophobicContact CD1-CG 3.88Å; Y221-W249 HydrophobicContact CD2-CB 3.58Å; Y221-W249 AromaticContact CD2-CD1 3.92Å; Y221-W249 AromaticContact CD2-CG 3.79Å; Y221-W249 HydrophobicContact CD2-CG 3.79Å; Y221-W249 HydrophobicContact CE1-CB 3.93Å; Y221-W249 AromaticContact CE1-CD1 3.97Å; Y221-W249 AromaticContact CE1-CD2 3.45Å; Y221-W249 HydrophobicContact CE1-CD2 3.45Å; Y221-W249 VanDerWaalsContact CE1-CD2 3.45Å; Y221-W249 AromaticContact CE1-CE2 3.9Å; Y221-W249 AromaticContact CE1-CE3 3.82Å; Y221-W249 HydrophobicContact CE1-CE3 3.82Å; Y221-W249 AromaticContact CE1-CG 3.51Å; Y221-W249 HydrophobicContact CE1-CG 3.51Å; Y221-W249 HydrophobicContact CE2-CB 3.73Å; Y221-W249 AromaticContact CE2-CD1 3.16Å; Y221-W249 HydrophobicContact CE2-CD2 4.11Å; Y221-W249 AromaticContact CE2-CG 3.37Å; Y221-W249 HydrophobicContact CE2-CG 3.37Å; Y221-W249 AromaticContact CE2-NE1 3.76Å; Y221-W249 HydrophobicContact CG-CB 3.59Å; Y221-W249 HydrophobicContact CG-CG 4.03Å; Y221-W249 AromaticContact CZ-CD1 3.23Å; Y221-W249 AromaticContact CZ-CD2 3.48Å; Y221-W249 VanDerWaalsContact CZ-CD2 3.48Å; Y221-W249 AromaticContact CZ-CE2 3.57Å; Y221-W249 AromaticContact CZ-CG 3.27Å; Y221-W249 AromaticContact CZ-NE1 3.4Å; Y221-W249 PolarHBondContact N-O 2.97Å; Y221-W249 VanDerWaalsContact OH-CE2 3.22Å; Y221-W249 PolarHBondContact OH-NE1 2.78Å
222	N	98.3	Very high	97.9	Very high	14 Å²	14	41.4 Å²	41.4	8%	0.075	18%	0.18	C	C	.	.	S	Bend	trans	-116.3	-173.5	171	-75.1	-71.3	0	0	0	109.2	L191 N194 F196 I219 S220 L224 W249 N250	L191-N222 PolarHBondContact O-ND2 2.74Å; N194-N222 WeakPolarHBondContact CA-OD1 3.05Å; N194-N222 WeakPolarHBondContact CB-OD1 3.48Å; N194-N222 PolarHBondContact N-OD1 3.01Å; N194-N222 VanDerWaalsContact N-OD1 3.13Å; N194-N222 PolarHBondContact O-OD1 3.26Å; N194-N222 VanDerWaalsContact O-OD1 3.12Å; F196-N222 HydrophobicContact CB-CB 4.13Å; F196-N222 VanDerWaalsContact CD2-OD1 3.31Å; F196-N222 WeakPolarHBondContact CD2-OD1 3.19Å; F196-N222 PolarHBondContact N-OD1 3.22Å; I219-N222 PolarHBondContact O-ND2 2.75Å; S220-N222 VanDerWaalsContact C-N 3.34Å; S220-N222 PolarHBondContact O-N 2.89Å; S220-N222 PolarHBondContact O-ND2 3.47Å; N222-L224 HydrophobicContact CB-CG 4.08Å; N222-W249 PolarHBondContact N-O 3.4Å; N222-N250 WeakPolarHBondContact CA-OD1 3.23Å; N222-N250 WeakPolarHBondContact CB-OD1 3.39Å; N222-N250 PolarHBondContact N-OD1 3.2Å; N222-N250 PolarHBondContact O-OD1 3.12Å
223	D	97.5	Very high	98.1	Very high	72 Å²	72	31.6 Å²	31.6	39%	0.385	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-103.3	31.9	-178.8	-158.5	44.1	0	0	0	112.5	F196 R251	F196-D223 PolarHBondContact O-N 3.02Å; D223-R251 PolarHBondContact O-NH2 3.37Å; D223-R251 IonicContact OD1-CZ 3.09Å; D223-R251 IonicContact OD1-NE 2.74Å; D223-R251 PolarHBondContact OD1-NE 2.85Å; D223-R251 VanDerWaalsContact OD1-NE 3.11Å; D223-R251 IonicContact OD1-NH1 3.01Å; D223-R251 PolarHBondContact OD1-NH1 3.42Å; D223-R251 IonicContact OD1-NH2 2.69Å; D223-R251 PolarHBondContact OD1-NH2 3.04Å; D223-R251 VanDerWaalsContact OD1-NH2 3.15Å; D223-R251 IonicContact OD2-CZ 3.43Å; D223-R251 IonicContact OD2-NH1 3.15Å; D223-R251 PolarHBondContact OD2-NH1 2.93Å; D223-R251 IonicContact OD2-NH2 2.75Å; D223-R251 PolarHBondContact OD2-NH2 2.96Å
224	L	97.9	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.155	C	C	.	.			trans	-69.4	133.4	-178.1	-52	179.1	0	0	0	110.7	F196 D197 A200 F204 I219 N222 N250 R251 L252	F196-L224 HydrophobicContact CB-CD2 4.42Å; D197-L224 VanDerWaalsContact O-CD2 3.28Å; D197-L224 WeakPolarHBondContact O-CD2 3.26Å; A200-L224 HydrophobicContact CB-CD2 4.33Å; F204-L224 HydrophobicContact CD2-CD1 4.38Å; F204-L224 HydrophobicContact CD2-CD2 4.49Å; F204-L224 HydrophobicContact CE2-CD1 4.39Å; F204-L224 HydrophobicContact CE2-CD2 4.22Å; I219-L224 HydrophobicContact CB-CD1 4.37Å; I219-L224 HydrophobicContact CD1-CD1 3.56Å; I219-L224 HydrophobicContact CG1-CD1 3.85Å; N222-L224 HydrophobicContact CB-CG 4.08Å; L224-N250 HydrophobicContact CB-CB 4.1Å; L224-N250 VanDerWaalsContact CB-OD1 3.27Å; L224-N250 WeakPolarHBondContact CB-OD1 3.46Å; L224-N250 VanDerWaalsContact CG-OD1 3.25Å; L224-N250 WeakPolarHBondContact CG-OD1 3.38Å; L224-N250 PolarHBondContact N-OD1 3.13Å; L224-N250 VanDerWaalsContact N-OD1 3.15Å; L224-R251 CarbonylContact O-C 3.52Å; L224-R251 WeakPolarHBondContact O-CA 3.47Å; L224-R251 WeakPolarHBondContact O-CB 3.38Å; L224-R251 PolarHBondContact O-N 3.03Å; L224-L252 HydrophobicContact CB-CD2 4.19Å
225	G	97.1	Very high	98.1	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	16%	0.158	C	C	.	.			trans	-128.7	-140.3	-170.3	0	0	0	0	0	113.7	D198 C229	D198-G225 VanDerWaalsContact CG-N 3.34Å; D198-G225 VanDerWaalsContact OD1-C 3.27Å; D198-G225 VanDerWaalsContact OD1-CA 3.3Å; D198-G225 WeakPolarHBondContact OD1-CA 3.25Å; D198-G225 PolarHBondContact OD1-N 3.26Å; G225-C229 WeakPolarHBondContact O-CB 3.19Å; G225-C229 PolarHBondContact O-N 3.13Å
226	E	96.7	Very high	98.1	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	14%	0.141	S	C	.	.	H	α-helix	trans	-66.7	-39.8	-174.7	179.8	174.7	166.8	0	0	112.5	D198 C229 Q230 K256	D198-E226 PolarHBondContact OD2-N 3.07Å; E226-C229 WeakPolarHBondContact O-CB 3.25Å; E226-C229 PolarHBondContact O-N 3.22Å; E226-Q230 PolarHBondContact O-N 3.2Å; E226-K256 HydrophobicContact CG-CB 4.27Å; E226-K256 HydrophobicContact CG-CG 3.59Å; E226-K256 WeakPolarHBondContact OE1-CE 3.23Å; E226-K256 WeakPolarHBondContact OE1-CG 3.42Å
227	L	97.4	Very high	98.1	Very high	81 Å²	81	30.4 Å²	30.4	42%	0.424	14%	0.14	S	C	.	.	H	α-helix	trans	-68.5	-44.3	-179.7	-60.9	173.2	0	0	0	110.5	D198 C229 Q230 Y231	D198-L227 HydrophobicContact CB-CB 4.48Å; D198-L227 PolarHBondContact OD1-N 2.94Å; D198-L227 VanDerWaalsContact OD2-CB 3.25Å; D198-L227 WeakPolarHBondContact OD2-CB 3.42Å; D198-L227 WeakPolarHBondContact OD2-CG 3.33Å; D198-L227 PolarHBondContact OD2-N 3.29Å; L227-C229 VanDerWaalsContact C-N 3.31Å; L227-C229 PolarHBondContact O-N 3.17Å; L227-Q230 WeakPolarHBondContact O-CB 3.37Å; L227-Q230 PolarHBondContact O-N 2.94Å; L227-Q230 VanDerWaalsContact O-N 3.12Å; L227-Y231 HydrophobicContact CB-CD2 4.26Å; L227-Y231 HydrophobicContact CB-CE2 3.99Å; L227-Y231 WeakPolarHBondContact O-CD2 3.3Å; L227-Y231 PolarHBondContact O-N 2.94Å
228	S	98	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-42.3	175.1	-61.3	0	0	0	0	111.2	D198 G201 Q230 Y231 I232	D198-S228 PolarHBondContact O-OG 2.97Å; D198-S228 WeakPolarHBondContact OD1-CA 3.3Å; D198-S228 WeakPolarHBondContact OD1-CB 3.2Å; D198-S228 PolarHBondContact OD1-N 3.27Å; D198-S228 PolarHBondContact OD1-OG 3.46Å; G201-S228 WeakPolarHBondContact CA-OG 3.4Å; S228-Q230 VanDerWaalsContact C-N 3.3Å; S228-Q230 PolarHBondContact O-N 3.42Å; S228-Y231 PolarHBondContact O-N 3.34Å; S228-I232 VanDerWaalsContact O-CB 3.25Å; S228-I232 WeakPolarHBondContact O-CB 3.38Å; S228-I232 VanDerWaalsContact O-CG1 3.25Å; S228-I232 WeakPolarHBondContact O-CG1 3.28Å; S228-I232 PolarHBondContact O-N 2.89Å
229	C	98	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.8	-44.2	173.9	-176.4	0	0	0	0	111.6	G225 E226 L227 G233 L252 G255	G225-C229 WeakPolarHBondContact O-CB 3.19Å; G225-C229 PolarHBondContact O-N 3.13Å; E226-C229 WeakPolarHBondContact O-CB 3.25Å; E226-C229 PolarHBondContact O-N 3.22Å; L227-C229 VanDerWaalsContact C-N 3.31Å; L227-C229 PolarHBondContact O-N 3.17Å; C229-G233 WeakPolarHBondContact O-CA 3.5Å; C229-G233 PolarHBondContact O-N 3.3Å; C229-L252 HydrophobicContact CB-CB 4.21Å; C229-L252 HydrophobicContact CB-CD2 3.98Å; C229-L252 PolarHBondContact SG-O 2.84Å; C229-L252 VanDerWaalsContact SG-O 3.4Å; C229-G255 PolarHBondContact SG-O 2.94Å
230	Q	98.1	Very high	98	Very high	35 Å²	35	41.3 Å²	41.3	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-48.2	176	174.6	171.4	40.4	0	0	113.2	E226 L227 S228 R234 K256 I259	E226-Q230 PolarHBondContact O-N 3.2Å; L227-Q230 WeakPolarHBondContact O-CB 3.37Å; L227-Q230 PolarHBondContact O-N 2.94Å; L227-Q230 VanDerWaalsContact O-N 3.12Å; S228-Q230 VanDerWaalsContact C-N 3.3Å; S228-Q230 PolarHBondContact O-N 3.42Å; Q230-R234 WeakPolarHBondContact O-CG 3.5Å; Q230-R234 PolarHBondContact O-N 2.87Å; Q230-K256 HydrophobicContact CB-CB 4.11Å; Q230-K256 HydrophobicContact CB-CG 4.23Å; Q230-I259 HydrophobicContact CB-CD1 4.28Å; Q230-I259 HydrophobicContact CG-CD1 3.69Å; Q230-I259 HydrophobicContact CG-CG2 4.48Å
231	Y	98.4	Very high	97.9	Very high	81 Å²	81	42.1 Å²	42.1	32%	0.318	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-52.8	-178.6	-72.9	-56.5	0	0	0	111.4	K202 L227 S228 G233 R234 A235	K202-Y231 HydrophobicContact CB-CD2 4.18Å; K202-Y231 HydrophobicContact CB-CE1 4.49Å; K202-Y231 HydrophobicContact CB-CE2 4.11Å; K202-Y231 HydrophobicContact CB-CG 4.41Å; L227-Y231 HydrophobicContact CB-CD2 4.26Å; L227-Y231 HydrophobicContact CB-CE2 3.99Å; L227-Y231 WeakPolarHBondContact O-CD2 3.3Å; L227-Y231 PolarHBondContact O-N 2.94Å; S228-Y231 PolarHBondContact O-N 3.34Å; Y231-G233 VanDerWaalsContact C-N 3.31Å; Y231-G233 PolarHBondContact O-N 3.21Å; Y231-R234 PolarHBondContact O-N 2.97Å; Y231-A235 PolarHBondContact O-N 3.06Å; Y231-A235 VanDerWaalsContact O-N 3.11Å
232	I	98.3	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-44.4	178.9	-64.8	169.4	0	0	0	109.6	I219 S228 R234 A235 L236 F245 L247 F260	I219-I232 HydrophobicContact CD1-CD1 4.13Å; S228-I232 VanDerWaalsContact O-CB 3.25Å; S228-I232 WeakPolarHBondContact O-CB 3.38Å; S228-I232 VanDerWaalsContact O-CG1 3.25Å; S228-I232 WeakPolarHBondContact O-CG1 3.28Å; S228-I232 PolarHBondContact O-N 2.89Å; I232-R234 VanDerWaalsContact C-N 3.31Å; I232-R234 PolarHBondContact O-N 3.03Å; I232-A235 PolarHBondContact O-N 3.27Å; I232-L236 HydrophobicContact CG2-CG 4.37Å; I232-L236 WeakPolarHBondContact O-CG 3.45Å; I232-L236 PolarHBondContact O-N 2.98Å; I232-F245 HydrophobicContact CD1-CZ 4.42Å; I232-F245 HydrophobicContact CG2-CE1 3.65Å; I232-F245 HydrophobicContact CG2-CZ 4.25Å; I232-L247 HydrophobicContact CD1-CD2 3.8Å; I232-L247 HydrophobicContact CG2-CD1 4.42Å; I232-F260 HydrophobicContact CG2-CD2 4.39Å; I232-F260 HydrophobicContact CG2-CE2 3.82Å
233	G	98.3	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-54.9	-43	176.4	0	0	0	0	0	113.5	C229 Y231 A235 G263	C229-G233 WeakPolarHBondContact O-CA 3.5Å; C229-G233 PolarHBondContact O-N 3.3Å; Y231-G233 VanDerWaalsContact C-N 3.31Å; Y231-G233 PolarHBondContact O-N 3.21Å; G233-A235 VanDerWaalsContact C-N 3.33Å; G233-A235 PolarHBondContact O-N 3.49Å; G233-G263 VanDerWaalsContact O-CA 3.23Å; G233-G263 WeakPolarHBondContact O-CA 3.31Å
234	R	98.4	Very high	98	Very high	152 Å²	152	40.9 Å²	40.9	57%	0.574	19%	0.193	S	C	*	.	H	α-helix	trans	-70.5	-27.6	176.4	-74.4	177.5	172.2	169.6	-3.6	113.8	Q230 Y231 I232 P237 I259	Q230-R234 WeakPolarHBondContact O-CG 3.5Å; Q230-R234 PolarHBondContact O-N 2.87Å; Y231-R234 PolarHBondContact O-N 2.97Å; I232-R234 VanDerWaalsContact C-N 3.31Å; I232-R234 PolarHBondContact O-N 3.03Å; R234-P237 WeakPolarHBondContact O-CD 3.35Å; R234-I259 HydrophobicContact CG-CG2 3.7Å
235	A	98.4	Very high	98.1	Very high	8 Å²	8	41 Å²	41	7%	0.066	19%	0.193	C	C	.	.	H	α-helix	trans	-83.9	-26.2	-177.9	0	0	0	0	0	113.5	I208 T209 Y231 I232 G233 P237 Q238 A239	I208-A235 HydrophobicContact CD1-CB 3.92Å; I208-A235 HydrophobicContact CG1-CB 4.12Å; T209-A235 HydrophobicContact CG2-CB 3.62Å; T209-A235 WeakPolarHBondContact CG2-O 3.43Å; Y231-A235 PolarHBondContact O-N 3.06Å; Y231-A235 VanDerWaalsContact O-N 3.11Å; I232-A235 PolarHBondContact O-N 3.27Å; G233-A235 VanDerWaalsContact C-N 3.33Å; G233-A235 PolarHBondContact O-N 3.49Å; A235-P237 VanDerWaalsContact C-CD 3.45Å; A235-Q238 CarbonylContact O-C 3.46Å; A235-Q238 PolarHBondContact O-N 3.17Å; A235-A239 PolarHBondContact O-N 3.42Å; A235-A239 VanDerWaalsContact O-N 3.17Å
236	L	98.4	Very high	98.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-50.1	-45.1	-177.5	-78.2	176.8	0	0	0	114.2	I232 Q238 A239 F245 F260 L264 N267 L270	I232-L236 HydrophobicContact CG2-CG 4.37Å; I232-L236 WeakPolarHBondContact O-CG 3.45Å; I232-L236 PolarHBondContact O-N 2.98Å; L236-Q238 PolarHBondContact O-N 3.05Å; L236-Q238 VanDerWaalsContact O-N 3.12Å; L236-A239 WeakPolarHBondContact O-CB 3.42Å; L236-A239 PolarHBondContact O-N 3.35Å; L236-A239 VanDerWaalsContact O-N 3.1Å; L236-F245 HydrophobicContact CD2-CD1 4.35Å; L236-F260 HydrophobicContact CD1-CD1 4.45Å; L236-F260 HydrophobicContact CD1-CD2 4.35Å; L236-F260 HydrophobicContact CD1-CE1 4.08Å; L236-F260 HydrophobicContact CD1-CE2 3.99Å; L236-F260 HydrophobicContact CD1-CZ 3.84Å; L236-L264 HydrophobicContact CD1-CB 4.06Å; L236-N267 HydrophobicContact CB-CB 4.5Å; L236-N267 PolarHBondContact O-ND2 3.18Å; L236-L270 HydrophobicContact CD2-CD2 4.48Å
237	P	98.4	Very high	98.2	Very high	28 Å²	28	38.1 Å²	38.1	18%	0.182	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27.3	178.9	-24.1	34.9	0	0	0	113.8	R234 A235 E266	R234-P237 WeakPolarHBondContact O-CD 3.35Å; A235-P237 VanDerWaalsContact C-CD 3.45Å; P237-E266 HydrophobicContact CB-CB 4.01Å; P237-E266 HydrophobicContact CG-CB 3.88Å
238	Q	98	Very high	98.3	Very high	121 Å²	121	34.4 Å²	34.4	57%	0.565	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-96.9	-4.7	-178	-62.1	176.9	27.5	0	0	113.1	T209 A235 L236 M240	T209-Q238 HydrophobicContact CG2-CB 3.65Å; A235-Q238 CarbonylContact O-C 3.46Å; A235-Q238 PolarHBondContact O-N 3.17Å; L236-Q238 PolarHBondContact O-N 3.05Å; L236-Q238 VanDerWaalsContact O-N 3.12Å; Q238-M240 WeakPolarHBondContact O-CG 3.49Å; Q238-M240 PolarHBondContact O-N 2.8Å
239	A	97.9	Very high	98.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.182	C	C	.	.			trans	-75.3	76.2	176.6	0	0	0	0	0	110.5	I208 A235 L236 T241 L242	I208-A239 HydrophobicContact CB-CB 4.28Å; I208-A239 HydrophobicContact CD1-CB 4.25Å; I208-A239 HydrophobicContact CG1-CB 4.29Å; I208-A239 WeakPolarHBondContact O-CA 3.38Å; A235-A239 PolarHBondContact O-N 3.42Å; A235-A239 VanDerWaalsContact O-N 3.17Å; L236-A239 WeakPolarHBondContact O-CB 3.42Å; L236-A239 PolarHBondContact O-N 3.35Å; L236-A239 VanDerWaalsContact O-N 3.1Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 2.99Å; A239-L242 HydrophobicContact CB-CB 4.32Å
240	M	97	Very high	98.3	Very high	114 Å²	114	40.6 Å²	40.6	56%	0.562	19%	0.185	S	C	*	.			trans	-72	-22.2	-169.1	-65.1	-61.5	-179.5	0	0	114.1	Q238 N269	Q238-M240 WeakPolarHBondContact O-CG 3.49Å; Q238-M240 PolarHBondContact O-N 2.8Å; M240-N269 WeakPolarHBondContact CA-ND2 3.48Å; M240-N269 PolarHBondContact O-ND2 3.2Å; M240-N269 PolarHBondContact O-OD1 3.4Å
241	T	97.9	Very high	98.2	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.098	19%	0.191	C	C	.	.	S	Bend	trans	-108	-24.6	-171.3	63.4	0	0	0	0	112.8	R212 L214 K215 A239 L243	R212-T241 VanDerWaalsContact C-CG2 3.46Å; R212-T241 WeakPolarHBondContact O-CG2 3.48Å; L214-T241 CarbonylContact O-C 3.35Å; L214-T241 VanDerWaalsContact O-CB 3.3Å; L214-T241 WeakPolarHBondContact O-CB 3.42Å; L214-T241 PolarHBondContact O-OG1 2.78Å; K215-T241 WeakPolarHBondContact CD-O 3.19Å; K215-T241 PolarHBondContact NZ-O 2.98Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 2.99Å; T241-L243 PolarHBondContact O-N 2.52Å
242	L	98.5	Very high	98.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.176	C	C	.	.			trans	-72.5	121.7	-171.4	-167.2	70.2	0	0	0	110.7	I208 L214 M217 A239 E244 F245 L270	I208-L242 HydrophobicContact CB-CD2 4.39Å; I208-L242 HydrophobicContact CG2-CD2 4.01Å; L214-L242 HydrophobicContact CD2-CD1 4.42Å; L214-L242 HydrophobicContact CG-CD1 4.29Å; L214-L242 WeakPolarHBondContact O-CA 3.29Å; L214-L242 PolarHBondContact O-N 3.27Å; M217-L242 HydrophobicContact CB-CD1 3.79Å; A239-L242 HydrophobicContact CB-CB 4.32Å; L242-E244 WeakPolarHBondContact CD1-O 3.25Å; L242-F245 HydrophobicContact CD2-CB 3.93Å; L242-F245 HydrophobicContact CD2-CD1 3.7Å; L242-F245 HydrophobicContact CD2-CD2 4.49Å; L242-F245 HydrophobicContact CD2-CE1 4.25Å; L242-F245 HydrophobicContact CD2-CG 3.83Å; L242-L270 HydrophobicContact CD2-CD1 4.32Å; L242-L270 HydrophobicContact CG-CD1 4.19Å
243	L	98.7	Very high	97.9	Very high	59 Å²	59	39.9 Å²	39.9	31%	0.309	19%	0.186	S	C	.	.			trans	-104.5	-32.3	179.4	-59.8	178.5	0	0	0	111.5	K215 T241 N269 K271 H272	K215-L243 HydrophobicContact CB-CD1 4.44Å; K215-L243 HydrophobicContact CD-CD1 3.93Å; K215-L243 HydrophobicContact CD-CG 4.06Å; K215-L243 HydrophobicContact CG-CD1 4.41Å; K215-L243 PolarHBondContact O-N 3.02Å; T241-L243 PolarHBondContact O-N 2.52Å; L243-N269 WeakPolarHBondContact CD2-O 3.47Å; L243-K271 HydrophobicContact CD2-CG 4.34Å; L243-K271 PolarHBondContact O-N 3.49Å; L243-H272 PolarHBondContact O-N 2.96Å
244	E	98.8	Very high	97.2	Very high	80 Å²	80	49 Å²	49	37%	0.374	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.9	-176.4	-55.8	-162.3	-164.9	0	0	111.3	K215 Y216 M217 L242 H272	K215-E244 PolarHBondContact O-N 2.99Å; Y216-E244 WeakPolarHBondContact CA-O 3.43Å; Y216-E244 HydrophobicContact CD2-CB 3.62Å; Y216-E244 HydrophobicContact CD2-CG 4.4Å; Y216-E244 WeakPolarHBondContact CD2-OE2 3.23Å; Y216-E244 HydrophobicContact CE2-CB 4.38Å; Y216-E244 HydrophobicContact CG-CB 4.43Å; M217-E244 PolarHBondContact N-O 2.79Å; L242-E244 WeakPolarHBondContact CD1-O 3.25Å; E244-H272 WeakPolarHBondContact CA-O 3.39Å; E244-H272 HydrophobicContact CB-CB 4.3Å; E244-H272 HydrophobicContact CG-CB 3.92Å; E244-H272 IonicContact OE1-CD2 2.79Å
245	F	98.8	Very high	96.4	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	116.2	179.2	-159.5	178.1	0	0	0	111.6	I208 M217 I219 I232 L236 L242 L247 L270 H272 L273 N274	I208-F245 HydrophobicContact CD1-CE1 4.19Å; M217-F245 HydrophobicContact CB-CD2 4.17Å; M217-F245 HydrophobicContact CB-CE2 4.26Å; M217-F245 HydrophobicContact CG-CD2 4.47Å; M217-F245 HydrophobicContact CG-CE2 4.1Å; M217-F245 WeakPolarHBondContact O-CA 3.4Å; M217-F245 WeakPolarHBondContact O-CD2 3.23Å; M217-F245 HydrophobicContact SD-CE2 4.25Å; I219-F245 HydrophobicContact CD1-CE2 3.74Å; I219-F245 HydrophobicContact CD1-CZ 3.86Å; I219-F245 HydrophobicContact CG1-CE2 3.87Å; I219-F245 HydrophobicContact CG1-CZ 4.47Å; I232-F245 HydrophobicContact CD1-CZ 4.42Å; I232-F245 HydrophobicContact CG2-CE1 3.65Å; I232-F245 HydrophobicContact CG2-CZ 4.25Å; L236-F245 HydrophobicContact CD2-CD1 4.35Å; L242-F245 HydrophobicContact CD2-CB 3.93Å; L242-F245 HydrophobicContact CD2-CD1 3.7Å; L242-F245 HydrophobicContact CD2-CD2 4.49Å; L242-F245 HydrophobicContact CD2-CE1 4.25Å; L242-F245 HydrophobicContact CD2-CG 3.83Å; F245-L247 HydrophobicContact CD1-CD1 3.95Å; F245-L247 HydrophobicContact CD1-CG 4.28Å; F245-L247 HydrophobicContact CD2-CD1 4.48Å; F245-L247 HydrophobicContact CD2-CD2 4.3Å; F245-L247 HydrophobicContact CD2-CG 3.94Å; F245-L247 HydrophobicContact CE1-CD1 3.91Å; F245-L247 HydrophobicContact CE1-CD2 4.19Å; F245-L247 HydrophobicContact CE1-CG 4.18Å; F245-L247 HydrophobicContact CE2-CD1 4.46Å; F245-L247 HydrophobicContact CE2-CD2 3.68Å; F245-L247 HydrophobicContact CE2-CG 3.84Å; F245-L247 HydrophobicContact CG-CD1 4.26Å; F245-L247 HydrophobicContact CG-CG 4.18Å; F245-L247 HydrophobicContact CZ-CD1 4.18Å; F245-L247 HydrophobicContact CZ-CD2 3.63Å; F245-L247 HydrophobicContact CZ-CG 3.97Å; F245-L270 HydrophobicContact CB-CD1 3.91Å; F245-H272 PolarHBondContact N-O 3.4Å; F245-L273 HydrophobicContact CB-CD1 4.28Å; F245-N274 PolarHBondContact O-N 2.78Å
246	D	98.8	Very high	96.2	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.107	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.6	173.7	-170.7	-1.3	0	0	0	111.3	M217 N218 I219 S220 S248 N274	M217-D246 PolarHBondContact O-N 2.93Å; N218-D246 HydrophobicContact CB-CB 4.15Å; N218-D246 PolarHBondContact ND2-OD2 3.48Å; I219-D246 PolarHBondContact N-O 3.07Å; S220-D246 PolarHBondContact N-O 2.89Å; D246-S248 VanDerWaalsContact OD1-CB 3.26Å; D246-S248 WeakPolarHBondContact OD1-CB 3.38Å; D246-S248 PolarHBondContact OD1-N 2.86Å; D246-S248 PolarHBondContact OD1-OG 3.33Å; D246-N274 HydrophobicContact CB-CB 4.37Å; D246-N274 PolarHBondContact OD1-ND2 3.5Å; D246-N274 VanDerWaalsContact OD1-ND2 3.13Å
247	L	98.6	Very high	96.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.			trans	-112.5	10.5	178.8	-72.8	166.2	0	0	0	111.6	I219 I232 F245 N250 L252 F260 L273 N274 L275 N278	I219-L247 HydrophobicContact CD1-CD2 3.5Å; I219-L247 VanDerWaalsContact CD1-CD2 3.5Å; I219-L247 HydrophobicContact CG1-CD2 3.59Å; I232-L247 HydrophobicContact CD1-CD2 3.8Å; I232-L247 HydrophobicContact CG2-CD1 4.42Å; F245-L247 HydrophobicContact CD1-CD1 3.95Å; F245-L247 HydrophobicContact CD1-CG 4.28Å; F245-L247 HydrophobicContact CD2-CD1 4.48Å; F245-L247 HydrophobicContact CD2-CD2 4.3Å; F245-L247 HydrophobicContact CD2-CG 3.94Å; F245-L247 HydrophobicContact CE1-CD1 3.91Å; F245-L247 HydrophobicContact CE1-CD2 4.19Å; F245-L247 HydrophobicContact CE1-CG 4.18Å; F245-L247 HydrophobicContact CE2-CD1 4.46Å; F245-L247 HydrophobicContact CE2-CD2 3.68Å; F245-L247 HydrophobicContact CE2-CG 3.84Å; F245-L247 HydrophobicContact CG-CD1 4.26Å; F245-L247 HydrophobicContact CG-CG 4.18Å; F245-L247 HydrophobicContact CZ-CD1 4.18Å; F245-L247 HydrophobicContact CZ-CD2 3.63Å; F245-L247 HydrophobicContact CZ-CG 3.97Å; L247-N250 PolarHBondContact O-ND2 3.43Å; L247-L252 HydrophobicContact CB-CD1 3.86Å; L247-L252 HydrophobicContact CD1-CD1 4.07Å; L247-L252 HydrophobicContact CD2-CD1 4.18Å; L247-L252 HydrophobicContact CG-CD1 4.28Å; L247-F260 HydrophobicContact CD1-CE2 3.85Å; L247-F260 HydrophobicContact CD1-CZ 3.86Å; L247-L273 HydrophobicContact CD1-CD1 4.13Å; L247-N274 CarbonylContact C-O 3.51Å; L247-N274 WeakPolarHBondContact CA-O 3.41Å; L247-N274 PolarHBondContact N-O 3.37Å; L247-L275 HydrophobicContact CB-CD2 4.01Å; L247-L275 HydrophobicContact CD1-CD2 3.98Å; L247-N278 PolarHBondContact O-ND2 3.18Å
248	S	98.5	Very high	96.1	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.021	23%	0.226	C	C	.	.			trans	-62.6	158.6	-172.7	59.5	0	0	0	0	113.4	S220 Y221 D246 N250 N274 S276	S220-S248 CarbonylContact C-O 3.58Å; S220-S248 WeakPolarHBondContact CA-O 3.22Å; S220-S248 WeakPolarHBondContact CB-O 3.14Å; S220-S248 VanDerWaalsContact CB-OG 3.25Å; S220-S248 WeakPolarHBondContact CB-OG 3.1Å; Y221-S248 PolarHBondContact N-O 3.34Å; D246-S248 VanDerWaalsContact OD1-CB 3.26Å; D246-S248 WeakPolarHBondContact OD1-CB 3.38Å; D246-S248 PolarHBondContact OD1-N 2.86Å; D246-S248 PolarHBondContact OD1-OG 3.33Å; S248-N250 PolarHBondContact O-N 2.84Å; S248-N250 PolarHBondContact O-ND2 3.31Å; S248-N274 PolarHBondContact N-O 3.43Å; S248-N274 PolarHBondContact OG-ND2 2.93Å; S248-S276 CarbonylContact C-O 3.28Å; S248-S276 WeakPolarHBondContact CA-O 3.31Å; S248-S276 VanDerWaalsContact CB-O 3.28Å; S248-S276 WeakPolarHBondContact CB-O 3.49Å; S248-S276 WeakPolarHBondContact CB-OG 3.38Å
249	W	98.1	Very high	96.1	Very high	120 Å²	120	44.1 Å²	44.1	46%	0.455	21%	0.207	S	C	.	.	S	Bend	trans	55.6	53.1	178	-71.3	85.8	0	0	0	112.7	Y221 N222 S276 A277	Y221-W249 WeakPolarHBondContact CA-O 3.24Å; Y221-W249 HydrophobicContact CD1-CB 3.75Å; Y221-W249 HydrophobicContact CD1-CD2 4.11Å; Y221-W249 HydrophobicContact CD1-CE3 4.32Å; Y221-W249 AromaticContact CD1-CG 3.88Å; Y221-W249 HydrophobicContact CD1-CG 3.88Å; Y221-W249 HydrophobicContact CD2-CB 3.58Å; Y221-W249 AromaticContact CD2-CD1 3.92Å; Y221-W249 AromaticContact CD2-CG 3.79Å; Y221-W249 HydrophobicContact CD2-CG 3.79Å; Y221-W249 HydrophobicContact CE1-CB 3.93Å; Y221-W249 AromaticContact CE1-CD1 3.97Å; Y221-W249 AromaticContact CE1-CD2 3.45Å; Y221-W249 HydrophobicContact CE1-CD2 3.45Å; Y221-W249 VanDerWaalsContact CE1-CD2 3.45Å; Y221-W249 AromaticContact CE1-CE2 3.9Å; Y221-W249 AromaticContact CE1-CE3 3.82Å; Y221-W249 HydrophobicContact CE1-CE3 3.82Å; Y221-W249 AromaticContact CE1-CG 3.51Å; Y221-W249 HydrophobicContact CE1-CG 3.51Å; Y221-W249 HydrophobicContact CE2-CB 3.73Å; Y221-W249 AromaticContact CE2-CD1 3.16Å; Y221-W249 HydrophobicContact CE2-CD2 4.11Å; Y221-W249 AromaticContact CE2-CG 3.37Å; Y221-W249 HydrophobicContact CE2-CG 3.37Å; Y221-W249 AromaticContact CE2-NE1 3.76Å; Y221-W249 HydrophobicContact CG-CB 3.59Å; Y221-W249 HydrophobicContact CG-CG 4.03Å; Y221-W249 AromaticContact CZ-CD1 3.23Å; Y221-W249 AromaticContact CZ-CD2 3.48Å; Y221-W249 VanDerWaalsContact CZ-CD2 3.48Å; Y221-W249 AromaticContact CZ-CE2 3.57Å; Y221-W249 AromaticContact CZ-CG 3.27Å; Y221-W249 AromaticContact CZ-NE1 3.4Å; Y221-W249 PolarHBondContact N-O 2.97Å; Y221-W249 VanDerWaalsContact OH-CE2 3.22Å; Y221-W249 PolarHBondContact OH-NE1 2.78Å; N222-W249 PolarHBondContact N-O 3.4Å; W249-S276 PolarHBondContact N-O 3.2Å; W249-A277 VanDerWaalsContact CA-O 3.3Å; W249-A277 WeakPolarHBondContact CA-O 3.37Å; W249-A277 HydrophobicContact CB-CB 4.37Å; W249-A277 HydrophobicContact CD2-CB 3.56Å; W249-A277 HydrophobicContact CE3-CB 4.1Å; W249-A277 HydrophobicContact CG-CB 3.67Å; W249-A277 HydrophobicContact CZ2-CB 4.27Å; W249-A277 PolarHBondContact N-O 2.99Å
250	N	98.1	Very high	96.1	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.059	21%	0.207	C	C	.	.	S	Bend	trans	-131.5	-162.3	171.8	-78.2	-74.1	0	0	0	107.9	I219 N222 L224 L247 S248 L252 A277 N278	I219-N250 PolarHBondContact O-ND2 3.31Å; N222-N250 WeakPolarHBondContact CA-OD1 3.23Å; N222-N250 WeakPolarHBondContact CB-OD1 3.39Å; N222-N250 PolarHBondContact N-OD1 3.2Å; N222-N250 PolarHBondContact O-OD1 3.12Å; L224-N250 HydrophobicContact CB-CB 4.1Å; L224-N250 VanDerWaalsContact CB-OD1 3.27Å; L224-N250 WeakPolarHBondContact CB-OD1 3.46Å; L224-N250 VanDerWaalsContact CG-OD1 3.25Å; L224-N250 WeakPolarHBondContact CG-OD1 3.38Å; L224-N250 PolarHBondContact N-OD1 3.13Å; L224-N250 VanDerWaalsContact N-OD1 3.15Å; L247-N250 PolarHBondContact O-ND2 3.43Å; S248-N250 PolarHBondContact O-N 2.84Å; S248-N250 PolarHBondContact O-ND2 3.31Å; N250-L252 HydrophobicContact CB-CG 4.24Å; N250-A277 PolarHBondContact N-O 2.91Å; N250-N278 WeakPolarHBondContact CA-OD1 3.16Å; N250-N278 VanDerWaalsContact CB-OD1 3.23Å; N250-N278 WeakPolarHBondContact CB-OD1 3.47Å; N250-N278 WeakPolarHBondContact O-CA 3.46Å
251	R	96.5	Very high	96.1	Very high	80 Å²	80	38.7 Å²	38.7	30%	0.302	18%	0.18	S	C	.	.			trans	-126.6	32	-177.6	-51.1	175.7	-57.6	-166.8	1.5	111.7	D223 L224 G253 R254 N278	D223-R251 PolarHBondContact O-NH2 3.37Å; D223-R251 IonicContact OD1-CZ 3.09Å; D223-R251 IonicContact OD1-NE 2.74Å; D223-R251 PolarHBondContact OD1-NE 2.85Å; D223-R251 VanDerWaalsContact OD1-NE 3.11Å; D223-R251 IonicContact OD1-NH1 3.01Å; D223-R251 PolarHBondContact OD1-NH1 3.42Å; D223-R251 IonicContact OD1-NH2 2.69Å; D223-R251 PolarHBondContact OD1-NH2 3.04Å; D223-R251 VanDerWaalsContact OD1-NH2 3.15Å; D223-R251 IonicContact OD2-CZ 3.43Å; D223-R251 IonicContact OD2-NH1 3.15Å; D223-R251 PolarHBondContact OD2-NH1 2.93Å; D223-R251 IonicContact OD2-NH2 2.75Å; D223-R251 PolarHBondContact OD2-NH2 2.96Å; L224-R251 CarbonylContact O-C 3.52Å; L224-R251 WeakPolarHBondContact O-CA 3.47Å; L224-R251 WeakPolarHBondContact O-CB 3.38Å; L224-R251 PolarHBondContact O-N 3.03Å; R251-G253 PolarHBondContact O-N 3.24Å; R251-G253 VanDerWaalsContact O-N 3.15Å; R251-R254 HydrophobicContact CB-CG 4.26Å; R251-R254 WeakPolarHBondContact O-CB 3.46Å; R251-R254 WeakPolarHBondContact O-CG 3.39Å; R251-R254 PolarHBondContact O-N 3.36Å; R251-N278 PolarHBondContact N-OD1 3.45Å
252	L	96.5	Very high	96.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.4	-24.1	-173.4	-59.8	177.4	0	0	0	113.3	L224 C229 L247 N250 R254 L275 N278	L224-L252 HydrophobicContact CB-CD2 4.19Å; C229-L252 HydrophobicContact CB-CB 4.21Å; C229-L252 HydrophobicContact CB-CD2 3.98Å; C229-L252 PolarHBondContact SG-O 2.84Å; C229-L252 VanDerWaalsContact SG-O 3.4Å; L247-L252 HydrophobicContact CB-CD1 3.86Å; L247-L252 HydrophobicContact CD1-CD1 4.07Å; L247-L252 HydrophobicContact CD2-CD1 4.18Å; L247-L252 HydrophobicContact CG-CD1 4.28Å; N250-L252 HydrophobicContact CB-CG 4.24Å; L252-R254 PolarHBondContact O-N 2.63Å; L252-L275 HydrophobicContact CD1-CD2 3.99Å; L252-N278 HydrophobicContact CB-CB 4.32Å; L252-N278 WeakPolarHBondContact CB-OD1 3.23Å; L252-N278 WeakPolarHBondContact CG-OD1 3.3Å; L252-N278 PolarHBondContact N-OD1 3Å; L252-N278 VanDerWaalsContact N-OD1 3.1Å
253	G	92.8	Very high	96.1	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-71.1	-6.9	178.2	0	0	0	0	0	115.3	R251 G255 N278	R251-G253 PolarHBondContact O-N 3.24Å; R251-G253 VanDerWaalsContact O-N 3.15Å; G253-G255 PolarHBondContact O-N 3.18Å; G253-N278 WeakPolarHBondContact CA-O 3.09Å; G253-N278 PolarHBondContact N-O 2.93Å
254	R	84.9	Confident	96.1	Very high	190 Å²	190	40.8 Å²	40.8	72%	0.717	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-71	-11.4	-176	-73.5	-169.8	173.2	-135.7	0.9	115.1	R251 L252	R251-R254 HydrophobicContact CB-CG 4.26Å; R251-R254 WeakPolarHBondContact O-CB 3.46Å; R251-R254 WeakPolarHBondContact O-CG 3.39Å; R251-R254 PolarHBondContact O-N 3.36Å; L252-R254 PolarHBondContact O-N 2.63Å
255	G	81	Confident	96.1	Very high	18 Å²	18	37.6 Å²	37.6	19%	0.186	17%	0.174	C	C	.	.	S	Bend	trans	171	169	178.2	0	0	0	0	0	111.3	C229 G253 M257	C229-G255 PolarHBondContact SG-O 2.94Å; G253-G255 PolarHBondContact O-N 3.18Å; G255-M257 PolarHBondContact O-N 2.78Å
256	K	93.9	Very high	96.1	Very high	85 Å²	85	43.3 Å²	43.3	37%	0.37	20%	0.201	S	C	.	.			trans	55.6	16.3	173.6	-51.4	-59.6	-178	-171.6	0	117.2	E226 Q230 N258 I259 F260	E226-K256 HydrophobicContact CG-CB 4.27Å; E226-K256 HydrophobicContact CG-CG 3.59Å; E226-K256 WeakPolarHBondContact OE1-CE 3.23Å; E226-K256 WeakPolarHBondContact OE1-CG 3.42Å; Q230-K256 HydrophobicContact CB-CB 4.11Å; Q230-K256 HydrophobicContact CB-CG 4.23Å; K256-N258 WeakPolarHBondContact CA-OD1 3.33Å; K256-N258 PolarHBondContact O-N 3Å; K256-N258 PolarHBondContact O-OD1 2.94Å; K256-I259 HydrophobicContact CB-CD1 4.2Å; K256-I259 HydrophobicContact CB-CG1 4.46Å; K256-I259 HydrophobicContact CD-CD1 4.06Å; K256-I259 HydrophobicContact CG-CD1 4.42Å; K256-I259 WeakPolarHBondContact O-CB 3.31Å; K256-I259 PolarHBondContact O-N 2.95Å; K256-F260 PolarHBondContact O-N 2.82Å
257	M	96.8	Very high	96.1	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-55.7	-24.7	171.8	-78.5	-58.5	-56.6	0	0	113	G255 I259 F260 G261 I280 D288 L289	G255-M257 PolarHBondContact O-N 2.78Å; M257-I259 VanDerWaalsContact C-N 3.3Å; M257-I259 PolarHBondContact O-N 2.98Å; M257-F260 HydrophobicContact CE-CB 4.34Å; M257-F260 HydrophobicContact CE-CD1 4.04Å; M257-F260 HydrophobicContact CE-CG 4.37Å; M257-F260 PolarHBondContact O-N 3.28Å; M257-F260 HydrophobicContact SD-CB 4.34Å; M257-G261 PolarHBondContact O-N 3.15Å; M257-I280 HydrophobicContact CE-CD1 4.49Å; M257-I280 HydrophobicContact CE-CG1 4.4Å; M257-D288 HydrophobicContact CB-CB 4.2Å; M257-D288 WeakPolarHBondContact O-CB 3.41Å; M257-L289 HydrophobicContact CE-CD1 4.43Å; M257-L289 HydrophobicContact CE-CD2 3.79Å; M257-L289 HydrophobicContact CE-CG 3.95Å
258	N	97.2	Very high	96	Very high	69 Å²	69	47.6 Å²	47.6	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-34.2	171.9	68.9	-41.7	0	0	0	113.3	K256 K262 D288	K256-N258 WeakPolarHBondContact CA-OD1 3.33Å; K256-N258 PolarHBondContact O-N 3Å; K256-N258 PolarHBondContact O-OD1 2.94Å; N258-K262 VanDerWaalsContact O-CG 3.28Å; N258-K262 WeakPolarHBondContact O-CG 3.38Å; N258-K262 PolarHBondContact O-N 2.91Å; N258-D288 WeakPolarHBondContact CA-OD1 3.43Å; N258-D288 WeakPolarHBondContact CA-OD2 3.33Å; N258-D288 VanDerWaalsContact CB-OD1 3.25Å; N258-D288 WeakPolarHBondContact CB-OD1 3.22Å; N258-D288 VanDerWaalsContact N-CG 3.28Å; N258-D288 PolarHBondContact N-OD2 3.39Å
259	I	98	Very high	96	Very high	31 Å²	31	49.5 Å²	49.5	16%	0.159	23%	0.232	C	C	.	.	H	α-helix	trans	-73.2	-45.6	174.8	-59.9	-179.8	0	0	0	109.3	Q230 R234 K256 M257 G261 K262 G263	Q230-I259 HydrophobicContact CB-CD1 4.28Å; Q230-I259 HydrophobicContact CG-CD1 3.69Å; Q230-I259 HydrophobicContact CG-CG2 4.48Å; R234-I259 HydrophobicContact CG-CG2 3.7Å; K256-I259 HydrophobicContact CB-CD1 4.2Å; K256-I259 HydrophobicContact CB-CG1 4.46Å; K256-I259 HydrophobicContact CD-CD1 4.06Å; K256-I259 HydrophobicContact CG-CD1 4.42Å; K256-I259 WeakPolarHBondContact O-CB 3.31Å; K256-I259 PolarHBondContact O-N 2.95Å; M257-I259 VanDerWaalsContact C-N 3.3Å; M257-I259 PolarHBondContact O-N 2.98Å; I259-G261 PolarHBondContact O-N 2.93Å; I259-K262 PolarHBondContact O-N 3.22Å; I259-G263 PolarHBondContact O-N 3.32Å
260	F	98.1	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-46.4	175.8	-167.9	-80.5	0	0	0	112.3	I232 L236 L247 K256 M257 K262 G263 L264 L273 L275	I232-F260 HydrophobicContact CG2-CD2 4.39Å; I232-F260 HydrophobicContact CG2-CE2 3.82Å; L236-F260 HydrophobicContact CD1-CD1 4.45Å; L236-F260 HydrophobicContact CD1-CD2 4.35Å; L236-F260 HydrophobicContact CD1-CE1 4.08Å; L236-F260 HydrophobicContact CD1-CE2 3.99Å; L236-F260 HydrophobicContact CD1-CZ 3.84Å; L247-F260 HydrophobicContact CD1-CE2 3.85Å; L247-F260 HydrophobicContact CD1-CZ 3.86Å; K256-F260 PolarHBondContact O-N 2.82Å; M257-F260 HydrophobicContact CE-CB 4.34Å; M257-F260 HydrophobicContact CE-CD1 4.04Å; M257-F260 HydrophobicContact CE-CG 4.37Å; M257-F260 PolarHBondContact O-N 3.28Å; M257-F260 HydrophobicContact SD-CB 4.34Å; F260-K262 PolarHBondContact O-N 3.36Å; F260-G263 PolarHBondContact O-N 3.05Å; F260-L264 HydrophobicContact CE1-CD2 4.36Å; F260-L264 WeakPolarHBondContact O-CB 3.42Å; F260-L264 PolarHBondContact O-N 3.19Å; F260-L273 HydrophobicContact CE1-CD2 4.14Å; F260-L273 HydrophobicContact CZ-CD1 4.49Å; F260-L273 HydrophobicContact CZ-CD2 4.34Å; F260-L275 HydrophobicContact CE1-CD1 3.99Å; F260-L275 HydrophobicContact CE1-CD2 4.31Å; F260-L275 HydrophobicContact CZ-CD1 4.45Å; F260-L275 HydrophobicContact CZ-CD2 3.99Å
261	G	97.9	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-37.8	179	0	0	0	0	0	113.1	M257 I259 A265 A292	M257-G261 PolarHBondContact O-N 3.15Å; I259-G261 PolarHBondContact O-N 2.93Å; G261-A265 WeakPolarHBondContact O-CB 3.05Å; G261-A265 PolarHBondContact O-N 3.3Å; G261-A292 VanDerWaalsContact O-CB 3.25Å; G261-A292 WeakPolarHBondContact O-CB 3.42Å
262	K	98.3	Very high	96.2	Very high	114 Å²	114	45.1 Å²	45.1	50%	0.496	22%	0.219	S	C	.	.	H	α-helix	trans	-65.3	-46	172	-76.2	178.1	179.7	-169.6	0	112.1	N258 I259 F260 L264 A265 E266 Y291	N258-K262 VanDerWaalsContact O-CG 3.28Å; N258-K262 WeakPolarHBondContact O-CG 3.38Å; N258-K262 PolarHBondContact O-N 2.91Å; I259-K262 PolarHBondContact O-N 3.22Å; F260-K262 PolarHBondContact O-N 3.36Å; K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.43Å; K262-A265 WeakPolarHBondContact O-CB 3.49Å; K262-A265 PolarHBondContact O-N 2.97Å; K262-A265 VanDerWaalsContact O-N 3.17Å; K262-E266 PolarHBondContact O-N 3.31Å; K262-Y291 HydrophobicContact CG-CE1 4.06Å
263	G	98.5	Very high	96.3	Very high	4 Å²	4	45.2 Å²	45.2	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-41.3	177.2	0	0	0	0	0	113.5	G233 I259 F260 E266 N267	G233-G263 VanDerWaalsContact O-CA 3.23Å; G233-G263 WeakPolarHBondContact O-CA 3.31Å; I259-G263 PolarHBondContact O-N 3.32Å; F260-G263 PolarHBondContact O-N 3.05Å; G263-E266 PolarHBondContact O-N 2.8Å; G263-N267 PolarHBondContact O-N 3.18Å
264	L	98.4	Very high	96.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-35.8	175.3	-175.6	61.4	0	0	0	112	L236 F260 K262 E266 N267 L270 L273 A292 N296 L299	L236-L264 HydrophobicContact CD1-CB 4.06Å; F260-L264 HydrophobicContact CE1-CD2 4.36Å; F260-L264 WeakPolarHBondContact O-CB 3.42Å; F260-L264 PolarHBondContact O-N 3.19Å; K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.43Å; L264-E266 VanDerWaalsContact C-N 3.27Å; L264-E266 PolarHBondContact O-N 3.38Å; L264-N267 PolarHBondContact O-N 2.85Å; L264-L270 HydrophobicContact CD1-CD2 4.06Å; L264-L273 HydrophobicContact CD1-CD2 4.02Å; L264-L273 HydrophobicContact CD2-CD2 3.66Å; L264-A292 HydrophobicContact CB-CB 4.09Å; L264-A292 HydrophobicContact CD2-CB 3.96Å; L264-A292 HydrophobicContact CG-CB 4.16Å; L264-N296 PolarHBondContact O-ND2 3.41Å; L264-L299 HydrophobicContact CD2-CD2 4.43Å
265	A	98.3	Very high	97.2	Very high	14 Å²	14	36.7 Å²	36.7	12%	0.116	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-37.5	174.3	0	0	0	0	0	112.6	G261 K262 Y291 N295	G261-A265 WeakPolarHBondContact O-CB 3.05Å; G261-A265 PolarHBondContact O-N 3.3Å; K262-A265 WeakPolarHBondContact O-CB 3.49Å; K262-A265 PolarHBondContact O-N 2.97Å; K262-A265 VanDerWaalsContact O-N 3.17Å; A265-Y291 HydrophobicContact CB-CD1 4.22Å; A265-Y291 HydrophobicContact CB-CE1 3.81Å; A265-N295 HydrophobicContact CB-CB 3.8Å
266	E	98.4	Very high	98	Very high	122 Å²	122	36.2 Å²	36.2	57%	0.57	18%	0.177	S	C	*	.	H	α-helix	trans	-88.9	-15.5	-177.3	-69.1	170	-157	0	0	113.5	P237 K262 G263 L264	P237-E266 HydrophobicContact CB-CB 4.01Å; P237-E266 HydrophobicContact CG-CB 3.88Å; K262-E266 PolarHBondContact O-N 3.31Å; G263-E266 PolarHBondContact O-N 2.8Å; L264-E266 VanDerWaalsContact C-N 3.27Å; L264-E266 PolarHBondContact O-N 3.38Å
267	N	98.5	Very high	98.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.011	17%	0.165	C	C	.	.			trans	-68.8	134	177.9	179.7	-79.1	0	0	0	111.4	L236 G263 L264 N269 L270 N296 T298	L236-N267 HydrophobicContact CB-CB 4.5Å; L236-N267 PolarHBondContact O-ND2 3.18Å; G263-N267 PolarHBondContact O-N 3.18Å; L264-N267 PolarHBondContact O-N 2.85Å; N267-N269 PolarHBondContact OD1-N 3.32Å; N267-L270 WeakPolarHBondContact OD1-CB 3.3Å; N267-L270 PolarHBondContact OD1-N 2.76Å; N267-N296 PolarHBondContact O-ND2 3.27Å; N267-N296 VanDerWaalsContact O-ND2 3.07Å; N267-T298 PolarHBondContact O-OG1 3.37Å
268	I	97.8	Very high	98.3	Very high	108 Å²	108	32.8 Å²	32.8	55%	0.554	17%	0.165	S	C	*	.	S	Bend	trans	-117.2	15.6	-176.5	64.5	169	0	0	0	114.1	T298	I268-T298 VanDerWaalsContact C-CG2 3.49Å; I268-T298 HydrophobicContact CB-CG2 4.36Å; I268-T298 WeakPolarHBondContact O-CG2 3.27Å
269	N	98.2	Very high	98.2	Very high	43 Å²	43	30.6 Å²	30.6	23%	0.23	16%	0.159	C	C	.	.	S	Bend	trans	-130.2	-38.7	-174.9	-68.1	-70.4	0	0	0	113.6	M240 L243 N267 K271	M240-N269 WeakPolarHBondContact CA-ND2 3.48Å; M240-N269 PolarHBondContact O-ND2 3.2Å; M240-N269 PolarHBondContact O-OD1 3.4Å; L243-N269 WeakPolarHBondContact CD2-O 3.47Å; N267-N269 PolarHBondContact OD1-N 3.32Å; N269-K271 PolarHBondContact O-N 2.92Å
270	L	98.6	Very high	98.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.152	C	C	.	.			trans	-62.6	129	-173.8	-165.7	71.5	0	0	0	110.3	L236 L242 F245 L264 N267 L273 T298 L299	L236-L270 HydrophobicContact CD2-CD2 4.48Å; L242-L270 HydrophobicContact CD2-CD1 4.32Å; L242-L270 HydrophobicContact CG-CD1 4.19Å; F245-L270 HydrophobicContact CB-CD1 3.91Å; L264-L270 HydrophobicContact CD1-CD2 4.06Å; N267-L270 WeakPolarHBondContact OD1-CB 3.3Å; N267-L270 PolarHBondContact OD1-N 2.76Å; L270-L273 HydrophobicContact CD2-CB 4.04Å; L270-L273 HydrophobicContact CD2-CD1 4.24Å; L270-L273 HydrophobicContact CD2-CD2 4.35Å; L270-L273 HydrophobicContact CD2-CG 4.43Å; L270-T298 CarbonylContact O-C 3.54Å; L270-T298 PolarHBondContact O-OG1 3.17Å; L270-L299 HydrophobicContact CD2-CD1 4.34Å; L270-L299 HydrophobicContact CG-CD1 4.31Å; L270-L299 WeakPolarHBondContact O-CA 3.2Å; L270-L299 PolarHBondContact O-N 2.72Å
271	K	98.6	Very high	97.7	Very high	61 Å²	61	30 Å²	30	27%	0.265	16%	0.159	S	C	.	.			trans	-108.6	-40.3	-178.3	-62.7	-51.6	-163.8	156.7	0	112	L243 N269 T298 L299 E300 T301	L243-K271 HydrophobicContact CD2-CG 4.34Å; L243-K271 PolarHBondContact O-N 3.49Å; N269-K271 PolarHBondContact O-N 2.92Å; K271-T298 WeakPolarHBondContact CD-O 3.27Å; K271-T298 PolarHBondContact NZ-O 2.84Å; K271-T298 VanDerWaalsContact NZ-O 3.17Å; K271-L299 WeakPolarHBondContact O-CD1 3.49Å; K271-E300 HydrophobicContact CD-CG 4.19Å; K271-E300 WeakPolarHBondContact CD-OE1 3.5Å; K271-E300 VanDerWaalsContact CE-OE1 3.32Å; K271-E300 WeakPolarHBondContact CE-OE1 3.48Å; K271-E300 IonicContact NZ-OE1 3.45Å; K271-E300 PolarHBondContact NZ-OE1 3.45Å; K271-E300 PolarHBondContact O-N 3.12Å; K271-T301 PolarHBondContact O-N 2.78Å
272	H	98.8	Very high	96.9	Very high	58 Å²	58	33.4 Å²	33.4	27%	0.269	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.8	-174.3	-53.3	-71.4	0	0	0	110.6	L243 E244 F245 T301	L243-H272 PolarHBondContact O-N 2.96Å; E244-H272 WeakPolarHBondContact CA-O 3.39Å; E244-H272 HydrophobicContact CB-CB 4.3Å; E244-H272 HydrophobicContact CG-CB 3.92Å; E244-H272 IonicContact OE1-CD2 2.79Å; F245-H272 PolarHBondContact N-O 3.4Å; H272-T301 WeakPolarHBondContact CA-OG1 3.39Å; H272-T301 WeakPolarHBondContact CB-OG1 3.2Å; H272-T301 WeakPolarHBondContact ND1-CG2 3.46Å; H272-T301 PolarHBondContact ND1-OG1 3.04Å
273	L	98.8	Very high	96.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.4	179.6	178.1	58.6	0	0	0	110.6	F245 L247 F260 L264 L270 L275 L299 T301 L302 D303	F245-L273 HydrophobicContact CB-CD1 4.28Å; L247-L273 HydrophobicContact CD1-CD1 4.13Å; F260-L273 HydrophobicContact CE1-CD2 4.14Å; F260-L273 HydrophobicContact CZ-CD1 4.49Å; F260-L273 HydrophobicContact CZ-CD2 4.34Å; L264-L273 HydrophobicContact CD1-CD2 4.02Å; L264-L273 HydrophobicContact CD2-CD2 3.66Å; L270-L273 HydrophobicContact CD2-CB 4.04Å; L270-L273 HydrophobicContact CD2-CD1 4.24Å; L270-L273 HydrophobicContact CD2-CD2 4.35Å; L270-L273 HydrophobicContact CD2-CG 4.43Å; L273-L275 HydrophobicContact CD1-CD2 4.34Å; L273-L275 HydrophobicContact CD1-CG 4.12Å; L273-L275 HydrophobicContact CD2-CD1 3.89Å; L273-L275 HydrophobicContact CD2-CG 4.16Å; L273-L275 HydrophobicContact CG-CD1 4.23Å; L273-L275 HydrophobicContact CG-CG 3.96Å; L273-L299 HydrophobicContact CB-CD1 3.7Å; L273-L299 HydrophobicContact CB-CD2 4.49Å; L273-T301 PolarHBondContact N-O 3.45Å; L273-L302 HydrophobicContact CB-CD1 4.22Å; L273-L302 HydrophobicContact CD2-CD1 4.06Å; L273-L302 HydrophobicContact CG-CD1 4.1Å; L273-L302 WeakPolarHBondContact O-CA 3.45Å; L273-D303 PolarHBondContact O-N 3.5Å
274	N	98.7	Very high	95.8	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.1	173.1	-175.3	4.5	0	0	0	110.9	F245 D246 L247 S248 S276 D303	F245-N274 PolarHBondContact O-N 2.78Å; D246-N274 HydrophobicContact CB-CB 4.37Å; D246-N274 PolarHBondContact OD1-ND2 3.5Å; D246-N274 VanDerWaalsContact OD1-ND2 3.13Å; L247-N274 CarbonylContact C-O 3.51Å; L247-N274 WeakPolarHBondContact CA-O 3.41Å; L247-N274 PolarHBondContact N-O 3.37Å; S248-N274 PolarHBondContact N-O 3.43Å; S248-N274 PolarHBondContact OG-ND2 2.93Å; N274-S276 WeakPolarHBondContact OD1-CB 3.09Å; N274-S276 PolarHBondContact OD1-N 2.83Å; N274-S276 PolarHBondContact OD1-OG 2.95Å; N274-D303 HydrophobicContact CB-CB 4.25Å; N274-D303 WeakPolarHBondContact OD1-CB 3.18Å
275	L	98.6	Very high	95.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.213	C	C	.	.			trans	-114.8	15.7	176.2	-71.5	173.2	0	0	0	111.8	L247 L252 F260 L273 N278 I280 L289 L302 D303 L304 N307	L247-L275 HydrophobicContact CB-CD2 4.01Å; L247-L275 HydrophobicContact CD1-CD2 3.98Å; L252-L275 HydrophobicContact CD1-CD2 3.99Å; F260-L275 HydrophobicContact CE1-CD1 3.99Å; F260-L275 HydrophobicContact CE1-CD2 4.31Å; F260-L275 HydrophobicContact CZ-CD1 4.45Å; F260-L275 HydrophobicContact CZ-CD2 3.99Å; L273-L275 HydrophobicContact CD1-CD2 4.34Å; L273-L275 HydrophobicContact CD1-CG 4.12Å; L273-L275 HydrophobicContact CD2-CD1 3.89Å; L273-L275 HydrophobicContact CD2-CG 4.16Å; L273-L275 HydrophobicContact CG-CD1 4.23Å; L273-L275 HydrophobicContact CG-CG 3.96Å; L275-N278 WeakPolarHBondContact O-CB 3.22Å; L275-N278 PolarHBondContact O-ND2 3.36Å; L275-N278 VanDerWaalsContact O-ND2 3.07Å; L275-I280 HydrophobicContact CB-CD1 3.92Å; L275-I280 HydrophobicContact CD1-CD1 4.16Å; L275-L289 HydrophobicContact CD1-CD1 4.49Å; L275-L289 HydrophobicContact CD1-CD2 4.26Å; L275-L302 HydrophobicContact CD1-CD1 4.33Å; L275-D303 CarbonylContact C-O 3.56Å; L275-D303 WeakPolarHBondContact CA-O 3.4Å; L275-D303 PolarHBondContact N-O 3.12Å; L275-L304 HydrophobicContact CB-CD2 4.07Å; L275-L304 HydrophobicContact CD1-CD2 4.3Å; L275-N307 PolarHBondContact O-ND2 3.17Å; L275-N307 PolarHBondContact O-OD1 3.13Å
276	S	98.2	Very high	95.6	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.049	21%	0.208	C	C	.	.			trans	-56.5	149	-179.8	56.1	0	0	0	0	112.5	S248 W249 N274 N278 D303 R305	S248-S276 CarbonylContact C-O 3.28Å; S248-S276 WeakPolarHBondContact CA-O 3.31Å; S248-S276 VanDerWaalsContact CB-O 3.28Å; S248-S276 WeakPolarHBondContact CB-O 3.49Å; S248-S276 WeakPolarHBondContact CB-OG 3.38Å; W249-S276 PolarHBondContact N-O 3.2Å; N274-S276 WeakPolarHBondContact OD1-CB 3.09Å; N274-S276 PolarHBondContact OD1-N 2.83Å; N274-S276 PolarHBondContact OD1-OG 2.95Å; S276-N278 PolarHBondContact O-N 3.07Å; S276-N278 PolarHBondContact O-ND2 3Å; S276-D303 PolarHBondContact N-O 3.12Å; S276-R305 CarbonylContact C-O 3.6Å; S276-R305 WeakPolarHBondContact CA-O 3.41Å; S276-R305 VanDerWaalsContact CB-O 3.23Å; S276-R305 WeakPolarHBondContact CB-O 3.38Å
277	A	97.6	Very high	95.5	Very high	13 Å²	13	37.5 Å²	37.5	11%	0.107	20%	0.2	C	C	.	.	S	Bend	trans	55.1	47.6	178.5	0	0	0	0	0	114.2	W249 N250 R305 D306	W249-A277 VanDerWaalsContact CA-O 3.3Å; W249-A277 WeakPolarHBondContact CA-O 3.37Å; W249-A277 HydrophobicContact CB-CB 4.37Å; W249-A277 HydrophobicContact CD2-CB 3.56Å; W249-A277 HydrophobicContact CE3-CB 4.1Å; W249-A277 HydrophobicContact CG-CB 3.67Å; W249-A277 HydrophobicContact CZ2-CB 4.27Å; W249-A277 PolarHBondContact N-O 2.99Å; N250-A277 PolarHBondContact N-O 2.91Å; A277-R305 PolarHBondContact N-O 2.69Å; A277-D306 WeakPolarHBondContact CA-O 3.24Å; A277-D306 HydrophobicContact CB-CB 4.43Å; A277-D306 PolarHBondContact N-O 2.95Å
278	N	98	Very high	95.5	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.027	21%	0.209	C	C	.	.	S	Bend	trans	-116.3	-4.1	176.2	-88.5	-76.9	0	0	0	114.9	L247 N250 R251 L252 G253 L275 S276 I280 N307	L247-N278 PolarHBondContact O-ND2 3.18Å; N250-N278 WeakPolarHBondContact CA-OD1 3.16Å; N250-N278 VanDerWaalsContact CB-OD1 3.23Å; N250-N278 WeakPolarHBondContact CB-OD1 3.47Å; N250-N278 WeakPolarHBondContact O-CA 3.46Å; R251-N278 PolarHBondContact N-OD1 3.45Å; L252-N278 HydrophobicContact CB-CB 4.32Å; L252-N278 WeakPolarHBondContact CB-OD1 3.23Å; L252-N278 WeakPolarHBondContact CG-OD1 3.3Å; L252-N278 PolarHBondContact N-OD1 3Å; L252-N278 VanDerWaalsContact N-OD1 3.1Å; G253-N278 WeakPolarHBondContact CA-O 3.09Å; G253-N278 PolarHBondContact N-O 2.93Å; L275-N278 WeakPolarHBondContact O-CB 3.22Å; L275-N278 PolarHBondContact O-ND2 3.36Å; L275-N278 VanDerWaalsContact O-ND2 3.07Å; S276-N278 PolarHBondContact O-N 3.07Å; S276-N278 PolarHBondContact O-ND2 3Å; N278-I280 HydrophobicContact CB-CD1 4.34Å; N278-I280 HydrophobicContact CB-CG1 4.16Å; N278-N307 WeakPolarHBondContact CA-OD1 3.5Å; N278-N307 WeakPolarHBondContact CB-OD1 3.4Å; N278-N307 PolarHBondContact N-OD1 2.85Å
279	G	96	Very high	95.4	Very high	24 Å²	24	34.1 Å²	34.1	25%	0.247	18%	0.183	C	C	.	.			trans	64	41.9	-179.6	0	0	0	0	0	113.9	N307	G279-N307 CarbonylContact C-O 3.6Å; G279-N307 PolarHBondContact N-OD1 3.06Å; G279-N307 VanDerWaalsContact N-OD1 3.09Å
280	I	96.7	Very high	95.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.176	C	C	.	.			trans	-66.5	-33.3	-177	-68	164	0	0	0	113.4	M257 L275 N278 G285 L289 L304 N307	M257-I280 HydrophobicContact CE-CD1 4.49Å; M257-I280 HydrophobicContact CE-CG1 4.4Å; L275-I280 HydrophobicContact CB-CD1 3.92Å; L275-I280 HydrophobicContact CD1-CD1 4.16Å; N278-I280 HydrophobicContact CB-CD1 4.34Å; N278-I280 HydrophobicContact CB-CG1 4.16Å; I280-G285 WeakPolarHBondContact O-CA 3.1Å; I280-L289 HydrophobicContact CD1-CD1 4Å; I280-L289 HydrophobicContact CG2-CD1 3.93Å; I280-L304 HydrophobicContact CD1-CD2 3.99Å; I280-N307 HydrophobicContact CB-CB 4.15Å; I280-N307 WeakPolarHBondContact CD1-OD1 3.28Å; I280-N307 VanDerWaalsContact CG1-OD1 3.3Å; I280-N307 WeakPolarHBondContact CG1-OD1 3.43Å; I280-N307 PolarHBondContact N-O 3.06Å; I280-N307 PolarHBondContact N-OD1 3.47Å
281	G	89.9	Confident	95.4	Very high	14 Å²	14	38 Å²	38	14%	0.144	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	165.4	177.8	0	0	0	0	0	113.4	N307	G281-N307 PolarHBondContact N-O 3.02Å
282	P	81	Confident	95.3	Very high	72 Å²	72	35 Å²	35	47%	0.468	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	-27.2	20.1	31.1	-34.1	0	0	0	117.6	N310 G313	P282-N310 HydrophobicContact CB-CB 4.35Å; P282-N310 PolarHBondContact O-OD1 3.24Å; P282-N310 VanDerWaalsContact O-OD1 3.13Å; P282-G313 WeakPolarHBondContact O-CA 3.34Å; P282-G313 PolarHBondContact O-N 3.35Å
283	K	84	Confident	95.3	Very high	92 Å²	92	32.5 Å²	32.5	40%	0.4	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-52.4	-173.3	-68.1	-175.4	-178.4	-180	0	116.5	C286 T287 E312 L316	K283-C286 PolarHBondContact O-N 3.16Å; K283-T287 PolarHBondContact O-N 3.17Å; K283-T287 VanDerWaalsContact O-N 3.13Å; K283-T287 PolarHBondContact O-OG1 2.72Å; K283-T287 VanDerWaalsContact O-OG1 3.04Å; K283-E312 VanDerWaalsContact CE-OE1 3.32Å; K283-E312 WeakPolarHBondContact CE-OE1 3.39Å; K283-E312 WeakPolarHBondContact CE-OE2 3.47Å; K283-E312 HydrophobicContact CG-CB 4.5Å; K283-E312 IonicContact NZ-OE1 3.42Å; K283-E312 PolarHBondContact NZ-OE1 3.42Å; K283-E312 IonicContact NZ-OE2 2.76Å; K283-E312 PolarHBondContact NZ-OE2 2.65Å; K283-E312 VanDerWaalsContact NZ-OE2 3.07Å; K283-L316 HydrophobicContact CB-CD1 4.03Å; K283-L316 HydrophobicContact CG-CD1 4.16Å
284	K	89.7	Confident	95.2	Very high	179 Å²	179	40.1 Å²	40.1	78%	0.778	20%	0.201	S	C	*	.	H	α-helix	trans	-64.3	-54.4	-169.1	-69.3	-176.7	179.6	179	0	111.5	C286 T287 D288	K284-C286 VanDerWaalsContact C-N 3.27Å; K284-C286 PolarHBondContact O-N 3.18Å; K284-T287 WeakPolarHBondContact O-CB 3.32Å; K284-T287 PolarHBondContact O-N 2.94Å; K284-D288 PolarHBondContact O-N 3.11Å; K284-D288 VanDerWaalsContact O-N 3.14Å
285	G	95.1	Very high	95.1	Very high	4 Å²	4	42 Å²	42	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-33.9	178.7	0	0	0	0	0	113.7	I280 D288 L289	I280-G285 WeakPolarHBondContact O-CA 3.1Å; G285-D288 PolarHBondContact O-N 3.1Å; G285-L289 WeakPolarHBondContact O-CG 3.45Å; G285-L289 PolarHBondContact O-N 2.99Å
286	C	96.9	Very high	95.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-37.7	174.5	-58.2	0	0	0	0	112.6	K283 K284 A290 G313 L316 L317	K283-C286 PolarHBondContact O-N 3.16Å; K284-C286 VanDerWaalsContact C-N 3.27Å; K284-C286 PolarHBondContact O-N 3.18Å; C286-A290 WeakPolarHBondContact O-CB 3.47Å; C286-A290 PolarHBondContact O-N 3.43Å; C286-G313 WeakPolarHBondContact CB-O 3.48Å; C286-L316 HydrophobicContact CB-CB 4.42Å; C286-L317 HydrophobicContact CB-CB 4.45Å
287	T	96.4	Very high	95	Very high	65 Å²	65	46.7 Å²	46.7	40%	0.399	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-43.2	176.5	-55.6	0	0	0	0	111.1	K283 K284 A290 Y291	K283-T287 PolarHBondContact O-N 3.17Å; K283-T287 VanDerWaalsContact O-N 3.13Å; K283-T287 PolarHBondContact O-OG1 2.72Å; K283-T287 VanDerWaalsContact O-OG1 3.04Å; K284-T287 WeakPolarHBondContact O-CB 3.32Å; K284-T287 PolarHBondContact O-N 2.94Å; T287-A290 WeakPolarHBondContact O-CB 3.4Å; T287-A290 PolarHBondContact O-N 3.41Å; T287-Y291 PolarHBondContact O-N 3.12Å
288	D	97.1	Very high	95	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.203	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-39.2	-179.8	-62.4	-42	0	0	0	112	M257 N258 K284 G285 Y291 A292	M257-D288 HydrophobicContact CB-CB 4.2Å; M257-D288 WeakPolarHBondContact O-CB 3.41Å; N258-D288 WeakPolarHBondContact CA-OD1 3.43Å; N258-D288 WeakPolarHBondContact CA-OD2 3.33Å; N258-D288 VanDerWaalsContact CB-OD1 3.25Å; N258-D288 WeakPolarHBondContact CB-OD1 3.22Å; N258-D288 VanDerWaalsContact N-CG 3.28Å; N258-D288 PolarHBondContact N-OD2 3.39Å; K284-D288 PolarHBondContact O-N 3.11Å; K284-D288 VanDerWaalsContact O-N 3.14Å; G285-D288 PolarHBondContact O-N 3.1Å; D288-Y291 WeakPolarHBondContact O-CB 3.35Å; D288-Y291 PolarHBondContact O-N 3.19Å; D288-A292 PolarHBondContact O-N 3.07Å
289	L	97.5	Very high	95.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-33.9	171.4	-73	-172.9	0	0	0	112.9	M257 L275 I280 G285 Y291 A292 L293 L304 L317	M257-L289 HydrophobicContact CE-CD1 4.43Å; M257-L289 HydrophobicContact CE-CD2 3.79Å; M257-L289 HydrophobicContact CE-CG 3.95Å; L275-L289 HydrophobicContact CD1-CD1 4.49Å; L275-L289 HydrophobicContact CD1-CD2 4.26Å; I280-L289 HydrophobicContact CD1-CD1 4Å; I280-L289 HydrophobicContact CG2-CD1 3.93Å; G285-L289 WeakPolarHBondContact O-CG 3.45Å; G285-L289 PolarHBondContact O-N 2.99Å; L289-Y291 VanDerWaalsContact C-N 3.28Å; L289-Y291 PolarHBondContact O-N 3.09Å; L289-A292 WeakPolarHBondContact O-CB 3.3Å; L289-A292 PolarHBondContact O-N 2.97Å; L289-L293 WeakPolarHBondContact O-CB 3.24Å; L289-L293 WeakPolarHBondContact O-CG 3.37Å; L289-L293 PolarHBondContact O-N 2.99Å; L289-L304 HydrophobicContact CD1-CD1 4.24Å; L289-L304 HydrophobicContact CD1-CD2 3.65Å; L289-L317 HydrophobicContact CB-CD1 3.73Å
290	A	97.6	Very high	95.2	Very high	9 Å²	9	48.7 Å²	48.7	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-41.4	173	0	0	0	0	0	111	C286 T287 R294 L316 G320	C286-A290 WeakPolarHBondContact O-CB 3.47Å; C286-A290 PolarHBondContact O-N 3.43Å; T287-A290 WeakPolarHBondContact O-CB 3.4Å; T287-A290 PolarHBondContact O-N 3.41Å; A290-R294 WeakPolarHBondContact O-CB 3.47Å; A290-R294 PolarHBondContact O-N 3.49Å; A290-L316 VanDerWaalsContact CB-O 3.26Å; A290-L316 WeakPolarHBondContact CB-O 3.37Å; A290-G320 WeakPolarHBondContact O-CA 3.49Å
291	Y	97.6	Very high	95.3	Very high	116 Å²	116	49.7 Å²	49.7	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-44.9	172.7	177.2	-88.4	0	0	0	111.7	K262 A265 T287 D288 L289 R294 N295	K262-Y291 HydrophobicContact CG-CE1 4.06Å; A265-Y291 HydrophobicContact CB-CD1 4.22Å; A265-Y291 HydrophobicContact CB-CE1 3.81Å; T287-Y291 PolarHBondContact O-N 3.12Å; D288-Y291 WeakPolarHBondContact O-CB 3.35Å; D288-Y291 PolarHBondContact O-N 3.19Å; L289-Y291 VanDerWaalsContact C-N 3.28Å; L289-Y291 PolarHBondContact O-N 3.09Å; Y291-R294 PolarHBondContact O-N 3.35Å; Y291-N295 WeakPolarHBondContact CE2-ND2 3.22Å; Y291-N295 PolarHBondContact O-N 2.77Å; Y291-N295 PolarHBondContact O-ND2 2.54Å
292	A	97.9	Very high	95.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-51.5	177.1	0	0	0	0	0	111.8	G261 L264 D288 L289 R294 N295 N296	G261-A292 VanDerWaalsContact O-CB 3.25Å; G261-A292 WeakPolarHBondContact O-CB 3.42Å; L264-A292 HydrophobicContact CB-CB 4.09Å; L264-A292 HydrophobicContact CD2-CB 3.96Å; L264-A292 HydrophobicContact CG-CB 4.16Å; D288-A292 PolarHBondContact O-N 3.07Å; L289-A292 WeakPolarHBondContact O-CB 3.3Å; L289-A292 PolarHBondContact O-N 2.97Å; A292-R294 VanDerWaalsContact C-N 3.31Å; A292-R294 PolarHBondContact O-N 3.43Å; A292-N295 PolarHBondContact O-N 3.2Å; A292-N295 VanDerWaalsContact O-N 3.17Å; A292-N296 WeakPolarHBondContact O-CB 3.29Å; A292-N296 PolarHBondContact O-N 2.91Å
293	L	97.4	Very high	96.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-37.5	-179.8	-72.7	169	0	0	0	112.5	L289 N295 L302 L317 F321 N324 L327	L289-L293 WeakPolarHBondContact O-CB 3.24Å; L289-L293 WeakPolarHBondContact O-CG 3.37Å; L289-L293 PolarHBondContact O-N 2.99Å; L293-N295 VanDerWaalsContact C-N 3.26Å; L293-N295 PolarHBondContact O-N 2.58Å; L293-L302 HydrophobicContact CD1-CD2 4.24Å; L293-L302 HydrophobicContact CD2-CD2 3.88Å; L293-L302 HydrophobicContact CG-CD2 4.37Å; L293-L317 HydrophobicContact CD1-CD1 3.83Å; L293-L317 HydrophobicContact CD1-CG 4.43Å; L293-F321 HydrophobicContact CD1-CE1 3.69Å; L293-F321 HydrophobicContact CD1-CZ 3.65Å; L293-F321 HydrophobicContact CD2-CE1 4.33Å; L293-N324 WeakPolarHBondContact O-CB 3.43Å; L293-N324 PolarHBondContact O-ND2 3.1Å; L293-L327 HydrophobicContact CD2-CD2 4.22Å
294	R	97.1	Very high	97.2	Very high	163 Å²	163	41.6 Å²	41.6	62%	0.615	20%	0.201	S	C	*	.	H	α-helix	trans	-61.1	-34.9	177.5	179.2	175.9	179.8	-170.5	-1.9	112.8	A290 Y291 A292 V323	A290-R294 WeakPolarHBondContact O-CB 3.47Å; A290-R294 PolarHBondContact O-N 3.49Å; Y291-R294 PolarHBondContact O-N 3.35Å; A292-R294 VanDerWaalsContact C-N 3.31Å; A292-R294 PolarHBondContact O-N 3.43Å; R294-V323 HydrophobicContact CB-CG2 4.3Å; R294-V323 HydrophobicContact CG-CG2 3.58Å; R294-V323 WeakPolarHBondContact O-CG2 3.22Å
295	N	97.6	Very high	97.5	Very high	70 Å²	70	36.2 Å²	36.2	37%	0.374	18%	0.176	S	C	.	.	H	α-helix	trans	-108.5	-25.2	-169.2	-66.8	-72.6	0	0	0	113.6	A265 Y291 A292 L293	A265-N295 HydrophobicContact CB-CB 3.8Å; Y291-N295 WeakPolarHBondContact CE2-ND2 3.22Å; Y291-N295 PolarHBondContact O-N 2.77Å; Y291-N295 PolarHBondContact O-ND2 2.54Å; A292-N295 PolarHBondContact O-N 3.2Å; A292-N295 VanDerWaalsContact O-N 3.17Å; L293-N295 VanDerWaalsContact C-N 3.26Å; L293-N295 PolarHBondContact O-N 2.58Å
296	N	98	Very high	97.6	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	19%	0.189	C	C	.	.			trans	-70.7	134.9	178.4	-178.3	-80.7	0	0	0	110.4	L264 N267 A292 T298 L299 N324	L264-N296 PolarHBondContact O-ND2 3.41Å; N267-N296 PolarHBondContact O-ND2 3.27Å; N267-N296 VanDerWaalsContact O-ND2 3.07Å; A292-N296 WeakPolarHBondContact O-CB 3.29Å; A292-N296 PolarHBondContact O-N 2.91Å; N296-T298 PolarHBondContact OD1-N 3.17Å; N296-L299 WeakPolarHBondContact OD1-CB 3.22Å; N296-L299 PolarHBondContact OD1-N 2.88Å; N296-N324 PolarHBondContact O-ND2 3.24Å
297	V	96.6	Very high	97.6	Very high	100 Å²	100	38.8 Å²	38.8	61%	0.606	19%	0.189	S	C	*	.	S	Bend	trans	-116.6	12.4	-176	-61.4	0	0	0	0	113.7	T326	V297-T326 VanDerWaalsContact C-CG2 3.43Å; V297-T326 WeakPolarHBondContact O-CG2 3.24Å
298	T	97.8	Very high	97.6	Very high	17 Å²	17	43.6 Å²	43.6	10%	0.104	20%	0.2	C	C	.	.	S	Bend	trans	-131.2	-29.1	-170.8	64	0	0	0	0	114.9	N267 I268 L270 K271 N296 E300	N267-T298 PolarHBondContact O-OG1 3.37Å; I268-T298 VanDerWaalsContact C-CG2 3.49Å; I268-T298 HydrophobicContact CB-CG2 4.36Å; I268-T298 WeakPolarHBondContact O-CG2 3.27Å; L270-T298 CarbonylContact O-C 3.54Å; L270-T298 PolarHBondContact O-OG1 3.17Å; K271-T298 WeakPolarHBondContact CD-O 3.27Å; K271-T298 PolarHBondContact NZ-O 2.84Å; K271-T298 VanDerWaalsContact NZ-O 3.17Å; N296-T298 PolarHBondContact OD1-N 3.17Å; T298-E300 PolarHBondContact O-N 3.42Å
299	L	98.3	Very high	97.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	19%	0.19	C	C	.	.			trans	-66.6	125.3	-177.1	-168.3	72.6	0	0	0	109.8	L264 L270 K271 L273 N296 L302 T326 L327	L264-L299 HydrophobicContact CD2-CD2 4.43Å; L270-L299 HydrophobicContact CD2-CD1 4.34Å; L270-L299 HydrophobicContact CG-CD1 4.31Å; L270-L299 WeakPolarHBondContact O-CA 3.2Å; L270-L299 PolarHBondContact O-N 2.72Å; K271-L299 WeakPolarHBondContact O-CD1 3.49Å; L273-L299 HydrophobicContact CB-CD1 3.7Å; L273-L299 HydrophobicContact CB-CD2 4.49Å; N296-L299 WeakPolarHBondContact OD1-CB 3.22Å; N296-L299 PolarHBondContact OD1-N 2.88Å; L299-L302 HydrophobicContact CD2-CB 4.07Å; L299-L302 HydrophobicContact CD2-CD1 4.32Å; L299-T326 CarbonylContact O-C 3.44Å; L299-T326 PolarHBondContact O-OG1 3.39Å; L299-L327 HydrophobicContact CD2-CD1 4.22Å; L299-L327 HydrophobicContact CG-CD1 4.16Å; L299-L327 WeakPolarHBondContact O-CA 3.3Å; L299-L327 PolarHBondContact O-N 3.12Å
300	E	98.4	Very high	97.5	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.308	20%	0.199	S	C	.	.			trans	-106.5	-33.2	-175.9	-72.4	172.9	-157.7	0	0	111.6	K271 T298 T328 C329	K271-E300 HydrophobicContact CD-CG 4.19Å; K271-E300 WeakPolarHBondContact CD-OE1 3.5Å; K271-E300 VanDerWaalsContact CE-OE1 3.32Å; K271-E300 WeakPolarHBondContact CE-OE1 3.48Å; K271-E300 IonicContact NZ-OE1 3.45Å; K271-E300 PolarHBondContact NZ-OE1 3.45Å; K271-E300 PolarHBondContact O-N 3.12Å; T298-E300 PolarHBondContact O-N 3.42Å; E300-T328 PolarHBondContact O-N 3.04Å; E300-T328 PolarHBondContact O-OG1 3.2Å; E300-C329 PolarHBondContact O-N 3.36Å
301	T	98.4	Very high	97.4	Very high	25 Å²	25	44.2 Å²	44.2	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.3	177.3	75.6	0	0	0	0	111.9	K271 H272 L273 C329	K271-T301 PolarHBondContact O-N 2.78Å; H272-T301 WeakPolarHBondContact CA-OG1 3.39Å; H272-T301 WeakPolarHBondContact CB-OG1 3.2Å; H272-T301 WeakPolarHBondContact ND1-CG2 3.46Å; H272-T301 PolarHBondContact ND1-OG1 3.04Å; L273-T301 PolarHBondContact N-O 3.45Å; T301-C329 WeakPolarHBondContact CA-O 3.4Å; T301-C329 HydrophobicContact CG2-CB 3.83Å
302	L	98.6	Very high	97.4	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.6	177.1	179.7	59.9	0	0	0	110.2	L273 L275 L293 L299 L304 L327 C329 L330 R331	L273-L302 HydrophobicContact CB-CD1 4.22Å; L273-L302 HydrophobicContact CD2-CD1 4.06Å; L273-L302 HydrophobicContact CG-CD1 4.1Å; L273-L302 WeakPolarHBondContact O-CA 3.45Å; L275-L302 HydrophobicContact CD1-CD1 4.33Å; L293-L302 HydrophobicContact CD1-CD2 4.24Å; L293-L302 HydrophobicContact CD2-CD2 3.88Å; L293-L302 HydrophobicContact CG-CD2 4.37Å; L299-L302 HydrophobicContact CD2-CB 4.07Å; L299-L302 HydrophobicContact CD2-CD1 4.32Å; L302-L304 HydrophobicContact CD1-CD2 4.04Å; L302-L304 HydrophobicContact CD1-CG 4.35Å; L302-L304 HydrophobicContact CD2-CD1 3.95Å; L302-L304 HydrophobicContact CD2-CD2 4.28Å; L302-L304 HydrophobicContact CD2-CG 4.09Å; L302-L304 HydrophobicContact CG-CD1 4.31Å; L302-L304 HydrophobicContact CG-CD2 4.13Å; L302-L304 HydrophobicContact CG-CG 3.91Å; L302-L327 HydrophobicContact CB-CD1 3.8Å; L302-L327 HydrophobicContact CB-CD2 4.31Å; L302-C329 PolarHBondContact N-O 2.85Å; L302-L330 HydrophobicContact CB-CD1 4.34Å; L302-L330 HydrophobicContact CD2-CD1 4.39Å; L302-L330 HydrophobicContact CG-CD1 4.43Å; L302-R331 PolarHBondContact O-N 3.03Å
303	D	98.5	Very high	97.3	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.2	175.9	-164.3	-29.1	0	0	0	111	L273 N274 L275 S276 R305 R331	L273-D303 PolarHBondContact O-N 3.5Å; N274-D303 HydrophobicContact CB-CB 4.25Å; N274-D303 WeakPolarHBondContact OD1-CB 3.18Å; L275-D303 CarbonylContact C-O 3.56Å; L275-D303 WeakPolarHBondContact CA-O 3.4Å; L275-D303 PolarHBondContact N-O 3.12Å; S276-D303 PolarHBondContact N-O 3.12Å; D303-R305 VanDerWaalsContact CG-NE 3.3Å; D303-R305 WeakPolarHBondContact OD1-CB 3.37Å; D303-R305 WeakPolarHBondContact OD1-CG 3.35Å; D303-R305 IonicContact OD1-CZ 3.69Å; D303-R305 PolarHBondContact OD1-N 2.81Å; D303-R305 IonicContact OD1-NE 3.4Å; D303-R305 PolarHBondContact OD1-NE 2.79Å; D303-R305 IonicContact OD1-NH2 2.66Å; D303-R305 IonicContact OD2-CZ 3.11Å; D303-R305 IonicContact OD2-NE 3.96Å; D303-R305 PolarHBondContact OD2-NE 2.92Å; D303-R305 IonicContact OD2-NH2 3.67Å; D303-R305 PolarHBondContact OD2-NH2 3.01Å; D303-R331 HydrophobicContact CB-CB 4.48Å
304	L	98.3	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.			trans	-119.5	20.6	179.4	-60.1	177.1	0	0	0	111.9	L275 I280 L289 L302 N307 I309 L317 L330 R331 M332 N335	L275-L304 HydrophobicContact CB-CD2 4.07Å; L275-L304 HydrophobicContact CD1-CD2 4.3Å; I280-L304 HydrophobicContact CD1-CD2 3.99Å; L289-L304 HydrophobicContact CD1-CD1 4.24Å; L289-L304 HydrophobicContact CD1-CD2 3.65Å; L302-L304 HydrophobicContact CD1-CD2 4.04Å; L302-L304 HydrophobicContact CD1-CG 4.35Å; L302-L304 HydrophobicContact CD2-CD1 3.95Å; L302-L304 HydrophobicContact CD2-CD2 4.28Å; L302-L304 HydrophobicContact CD2-CG 4.09Å; L302-L304 HydrophobicContact CG-CD1 4.31Å; L302-L304 HydrophobicContact CG-CD2 4.13Å; L302-L304 HydrophobicContact CG-CG 3.91Å; L304-N307 VanDerWaalsContact C-ND2 3.26Å; L304-N307 WeakPolarHBondContact CA-ND2 3.31Å; L304-N307 WeakPolarHBondContact O-CB 3.45Å; L304-N307 PolarHBondContact O-ND2 2.96Å; L304-N307 VanDerWaalsContact O-ND2 3.07Å; L304-I309 HydrophobicContact CB-CD1 4.17Å; L304-I309 HydrophobicContact CD1-CD1 4.33Å; L304-L317 HydrophobicContact CD1-CD2 3.62Å; L304-L330 HydrophobicContact CD1-CD1 4.31Å; L304-R331 CarbonylContact C-O 3.46Å; L304-R331 WeakPolarHBondContact CA-O 3.46Å; L304-R331 PolarHBondContact N-O 3.48Å; L304-M332 HydrophobicContact CB-CG 4.34Å; L304-N335 PolarHBondContact O-ND2 3.06Å
305	R	97.3	Very high	97.3	Very high	66 Å²	66	38.8 Å²	38.8	25%	0.249	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	145.5	178.1	-67.1	177.3	-67.2	168.9	3.3	111.5	S276 A277 D303 N307 R331 S333	S276-R305 CarbonylContact C-O 3.6Å; S276-R305 WeakPolarHBondContact CA-O 3.41Å; S276-R305 VanDerWaalsContact CB-O 3.23Å; S276-R305 WeakPolarHBondContact CB-O 3.38Å; A277-R305 PolarHBondContact N-O 2.69Å; D303-R305 VanDerWaalsContact CG-NE 3.3Å; D303-R305 WeakPolarHBondContact OD1-CB 3.37Å; D303-R305 WeakPolarHBondContact OD1-CG 3.35Å; D303-R305 IonicContact OD1-CZ 3.69Å; D303-R305 PolarHBondContact OD1-N 2.81Å; D303-R305 IonicContact OD1-NE 3.4Å; D303-R305 PolarHBondContact OD1-NE 2.79Å; D303-R305 IonicContact OD1-NH2 2.66Å; D303-R305 IonicContact OD2-CZ 3.11Å; D303-R305 IonicContact OD2-NE 3.96Å; D303-R305 PolarHBondContact OD2-NE 2.92Å; D303-R305 IonicContact OD2-NH2 3.67Å; D303-R305 PolarHBondContact OD2-NH2 3.01Å; R305-N307 PolarHBondContact O-N 2.92Å; R305-N307 PolarHBondContact O-ND2 3.43Å; R305-R331 HydrophobicContact CG-CB 3.93Å; R305-R331 PolarHBondContact N-O 3.4Å; R305-S333 WeakPolarHBondContact CA-O 3.45Å; R305-S333 WeakPolarHBondContact CB-O 3.23Å; R305-S333 WeakPolarHBondContact CD-OG 3.39Å; R305-S333 WeakPolarHBondContact CG-OG 3.39Å
306	D	95.8	Very high	97.3	Very high	60 Å²	60	37.4 Å²	37.4	32%	0.321	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	47.6	174.9	-163.7	7.1	0	0	0	114.6	A277 S333 R334 N335	A277-D306 WeakPolarHBondContact CA-O 3.24Å; A277-D306 HydrophobicContact CB-CB 4.43Å; A277-D306 PolarHBondContact N-O 2.95Å; D306-S333 PolarHBondContact N-O 2.87Å; D306-S333 VanDerWaalsContact N-O 3.16Å; D306-R334 WeakPolarHBondContact CA-O 3.25Å; D306-R334 HydrophobicContact CB-CB 4.41Å; D306-N335 PolarHBondContact N-ND2 3.19Å
307	N	97.5	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-109.2	13.8	-179.1	-91.7	-67.4	0	0	0	114	L275 N278 G279 I280 G281 L304 R305 I309 N335	L275-N307 PolarHBondContact O-ND2 3.17Å; L275-N307 PolarHBondContact O-OD1 3.13Å; N278-N307 WeakPolarHBondContact CA-OD1 3.5Å; N278-N307 WeakPolarHBondContact CB-OD1 3.4Å; N278-N307 PolarHBondContact N-OD1 2.85Å; G279-N307 CarbonylContact C-O 3.6Å; G279-N307 PolarHBondContact N-OD1 3.06Å; G279-N307 VanDerWaalsContact N-OD1 3.09Å; I280-N307 HydrophobicContact CB-CB 4.15Å; I280-N307 WeakPolarHBondContact CD1-OD1 3.28Å; I280-N307 VanDerWaalsContact CG1-OD1 3.3Å; I280-N307 WeakPolarHBondContact CG1-OD1 3.43Å; I280-N307 PolarHBondContact N-O 3.06Å; I280-N307 PolarHBondContact N-OD1 3.47Å; G281-N307 PolarHBondContact N-O 3.02Å; L304-N307 VanDerWaalsContact C-ND2 3.26Å; L304-N307 WeakPolarHBondContact CA-ND2 3.31Å; L304-N307 WeakPolarHBondContact O-CB 3.45Å; L304-N307 PolarHBondContact O-ND2 2.96Å; L304-N307 VanDerWaalsContact O-ND2 3.07Å; R305-N307 PolarHBondContact O-N 2.92Å; R305-N307 PolarHBondContact O-ND2 3.43Å; N307-I309 HydrophobicContact CB-CD1 3.96Å; N307-I309 HydrophobicContact CB-CG1 3.85Å; N307-I309 PolarHBondContact O-N 2.96Å; N307-I309 VanDerWaalsContact O-N 3.16Å; N307-N335 VanDerWaalsContact C-OD1 3.29Å; N307-N335 WeakPolarHBondContact CA-OD1 3.31Å; N307-N335 PolarHBondContact N-OD1 3.19Å
308	R	95.6	Very high	97.3	Very high	165 Å²	165	32.6 Å²	32.6	62%	0.623	16%	0.157	S	C	*	.			trans	54.5	31	-177.4	-52.3	178.4	-177.3	-173.4	-2.2	112.5	N310 N335	R308-N310 PolarHBondContact O-N 2.9Å; R308-N335 PolarHBondContact N-OD1 2.68Å; R308-N335 VanDerWaalsContact N-OD1 3.09Å
309	I	96.8	Very high	97.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.176	C	C	.	.			trans	-73.2	116.4	176.9	-58.3	173.8	0	0	0	108.1	L304 N307 M332 N335 P336 M337	L304-I309 HydrophobicContact CB-CD1 4.17Å; L304-I309 HydrophobicContact CD1-CD1 4.33Å; N307-I309 HydrophobicContact CB-CD1 3.96Å; N307-I309 HydrophobicContact CB-CG1 3.85Å; N307-I309 PolarHBondContact O-N 2.96Å; N307-I309 VanDerWaalsContact O-N 3.16Å; I309-M332 HydrophobicContact CD1-CE 3.84Å; I309-M332 HydrophobicContact CG2-CE 4.35Å; I309-N335 HydrophobicContact CB-CB 4.09Å; I309-N335 WeakPolarHBondContact CB-OD1 3.42Å; I309-N335 WeakPolarHBondContact CG1-OD1 3.36Å; I309-N335 PolarHBondContact N-OD1 2.91Å; I309-P336 CarbonylContact O-C 3.29Å; I309-P336 VanDerWaalsContact O-C 3.29Å; I309-P336 VanDerWaalsContact O-CD 3.23Å; I309-P336 WeakPolarHBondContact O-CD 3.27Å; I309-P336 WeakPolarHBondContact O-CG 3.06Å; I309-M337 HydrophobicContact CB-CG 4.37Å; I309-M337 HydrophobicContact CG2-CG 4.19Å; I309-M337 HydrophobicContact CG2-SD 4.28Å; I309-M337 VanDerWaalsContact O-CG 3.26Å; I309-M337 WeakPolarHBondContact O-CG 3.15Å; I309-M337 PolarHBondContact O-N 3.03Å
310	N	95.8	Very high	97.1	Very high	35 Å²	35	37 Å²	37	19%	0.187	18%	0.175	C	C	.	.			trans	-91.9	176.3	178.5	79.8	-11.9	0	0	0	110.7	P282 R308 E312 G313 S314 P336	P282-N310 HydrophobicContact CB-CB 4.35Å; P282-N310 PolarHBondContact O-OD1 3.24Å; P282-N310 VanDerWaalsContact O-OD1 3.13Å; R308-N310 PolarHBondContact O-N 2.9Å; N310-E312 VanDerWaalsContact C-N 3.26Å; N310-E312 PolarHBondContact ND2-OE2 2.7Å; N310-E312 PolarHBondContact O-N 3.38Å; N310-E312 PolarHBondContact OD1-N 3.36Å; N310-G313 PolarHBondContact O-N 3.06Å; N310-G313 VanDerWaalsContact O-N 3.14Å; N310-G313 PolarHBondContact OD1-N 3.22Å; N310-S314 PolarHBondContact O-N 3.45Å; N310-S314 PolarHBondContact O-OG 2.88Å; N310-S314 VanDerWaalsContact O-OG 3.1Å; N310-P336 WeakPolarHBondContact CA-O 2.88Å
311	P	96.4	Very high	97	Very high	26 Å²	26	34.1 Å²	34.1	17%	0.169	16%	0.161	C	C	.	.	H	α-helix	trans	-56.1	-38.9	-178.5	-19.7	27.3	0	0	0	113.5	S314 V315 P336 M337 Q338 A340	P311-S314 WeakPolarHBondContact O-CB 3.43Å; P311-S314 PolarHBondContact O-N 2.82Å; P311-V315 WeakPolarHBondContact O-CG2 3.42Å; P311-V315 PolarHBondContact O-N 2.87Å; P311-P336 WeakPolarHBondContact CD-O 3.29Å; P311-M337 WeakPolarHBondContact CB-O 3.16Å; P311-M337 VanDerWaalsContact CG-O 3.25Å; P311-M337 WeakPolarHBondContact CG-O 3.3Å; P311-Q338 HydrophobicContact CG-CB 4.23Å; P311-Q338 HydrophobicContact CG-CG 4.09Å; P311-A340 HydrophobicContact CB-CB 4.09Å
312	E	96.8	Very high	96.8	Very high	96 Å²	96	37 Å²	37	45%	0.449	17%	0.17	S	C	.	.	H	α-helix	trans	-67	-42	179.3	-57.9	172.6	117.1	0	0	111.7	K283 N310 S314 V315 L316	K283-E312 VanDerWaalsContact CE-OE1 3.32Å; K283-E312 WeakPolarHBondContact CE-OE1 3.39Å; K283-E312 WeakPolarHBondContact CE-OE2 3.47Å; K283-E312 HydrophobicContact CG-CB 4.5Å; K283-E312 IonicContact NZ-OE1 3.42Å; K283-E312 PolarHBondContact NZ-OE1 3.42Å; K283-E312 IonicContact NZ-OE2 2.76Å; K283-E312 PolarHBondContact NZ-OE2 2.65Å; K283-E312 VanDerWaalsContact NZ-OE2 3.07Å; N310-E312 VanDerWaalsContact C-N 3.26Å; N310-E312 PolarHBondContact ND2-OE2 2.7Å; N310-E312 PolarHBondContact O-N 3.38Å; N310-E312 PolarHBondContact OD1-N 3.36Å; E312-S314 VanDerWaalsContact C-N 3.32Å; E312-S314 PolarHBondContact O-N 3.25Å; E312-V315 PolarHBondContact O-N 2.86Å; E312-L316 WeakPolarHBondContact O-CG 3.29Å; E312-L316 PolarHBondContact O-N 2.87Å; E312-L316 VanDerWaalsContact O-N 3.09Å
313	G	96.9	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-40.4	172.7	0	0	0	0	0	112.4	P282 C286 N310 L316 L317	P282-G313 WeakPolarHBondContact O-CA 3.34Å; P282-G313 PolarHBondContact O-N 3.35Å; C286-G313 WeakPolarHBondContact CB-O 3.48Å; N310-G313 PolarHBondContact O-N 3.06Å; N310-G313 VanDerWaalsContact O-N 3.14Å; N310-G313 PolarHBondContact OD1-N 3.22Å; G313-L316 PolarHBondContact O-N 3.3Å; G313-L317 WeakPolarHBondContact O-CB 3.43Å; G313-L317 PolarHBondContact O-N 3.24Å
314	S	97.3	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-39.6	174.9	-55	0	0	0	0	112.6	N310 P311 E312 L316 L317 S318 M337 G341 I345	N310-S314 PolarHBondContact O-N 3.45Å; N310-S314 PolarHBondContact O-OG 2.88Å; N310-S314 VanDerWaalsContact O-OG 3.1Å; P311-S314 WeakPolarHBondContact O-CB 3.43Å; P311-S314 PolarHBondContact O-N 2.82Å; E312-S314 VanDerWaalsContact C-N 3.32Å; E312-S314 PolarHBondContact O-N 3.25Å; S314-L316 VanDerWaalsContact C-N 3.32Å; S314-L316 PolarHBondContact O-N 2.57Å; S314-L317 PolarHBondContact O-N 3.13Å; S314-S318 WeakPolarHBondContact O-CB 3.39Å; S314-S318 PolarHBondContact O-N 2.91Å; S314-M337 WeakPolarHBondContact OG-CG 3.03Å; S314-M337 PolarHBondContact OG-SD 3.3Å; S314-G341 WeakPolarHBondContact CB-O 3.41Å; S314-I345 WeakPolarHBondContact O-CD1 3.16Å
315	V	97.3	Very high	96.3	Very high	72 Å²	72	44 Å²	44	44%	0.436	22%	0.215	S	C	.	.	H	α-helix	trans	-63.7	-38	174.3	172.2	0	0	0	0	111.5	P311 E312 S318 A344	P311-V315 WeakPolarHBondContact O-CG2 3.42Å; P311-V315 PolarHBondContact O-N 2.87Å; E312-V315 PolarHBondContact O-N 2.86Å; V315-S318 PolarHBondContact O-OG 2.89Å; V315-A344 HydrophobicContact CB-CB 4.38Å; V315-A344 HydrophobicContact CG2-CB 3.6Å
316	L	97	Very high	96.3	Very high	42 Å²	42	42.3 Å²	42.3	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-46.9	176.6	-67.7	164.3	0	0	0	111.1	K283 C286 A290 E312 G313 S314 S318 K319	K283-L316 HydrophobicContact CB-CD1 4.03Å; K283-L316 HydrophobicContact CG-CD1 4.16Å; C286-L316 HydrophobicContact CB-CB 4.42Å; A290-L316 VanDerWaalsContact CB-O 3.26Å; A290-L316 WeakPolarHBondContact CB-O 3.37Å; E312-L316 WeakPolarHBondContact O-CG 3.29Å; E312-L316 PolarHBondContact O-N 2.87Å; E312-L316 VanDerWaalsContact O-N 3.09Å; G313-L316 PolarHBondContact O-N 3.3Å; S314-L316 VanDerWaalsContact C-N 3.32Å; S314-L316 PolarHBondContact O-N 2.57Å; L316-S318 VanDerWaalsContact C-N 3.3Å; L316-S318 PolarHBondContact O-N 3.15Å; L316-K319 WeakPolarHBondContact O-CB 3.44Å; L316-K319 PolarHBondContact O-N 3.11Å
317	L	97.1	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-37.6	178.7	-169.4	67.2	0	0	0	112	C286 L289 L293 L304 G313 S314 K319 G320 F321 M332 I345	C286-L317 HydrophobicContact CB-CB 4.45Å; L289-L317 HydrophobicContact CB-CD1 3.73Å; L293-L317 HydrophobicContact CD1-CD1 3.83Å; L293-L317 HydrophobicContact CD1-CG 4.43Å; L304-L317 HydrophobicContact CD1-CD2 3.62Å; G313-L317 WeakPolarHBondContact O-CB 3.43Å; G313-L317 PolarHBondContact O-N 3.24Å; S314-L317 PolarHBondContact O-N 3.13Å; L317-K319 PolarHBondContact O-N 3.48Å; L317-K319 VanDerWaalsContact O-N 3.13Å; L317-G320 PolarHBondContact O-N 2.93Å; L317-F321 HydrophobicContact CG-CE2 4.33Å; L317-M332 HydrophobicContact CD2-CE 3.42Å; L317-M332 VanDerWaalsContact CD2-CE 3.42Å; L317-M332 HydrophobicContact CD2-SD 4.06Å; L317-I345 HydrophobicContact CB-CD1 4.24Å; L317-I345 HydrophobicContact CD2-CD1 4.17Å; L317-I345 HydrophobicContact CG-CD1 4.4Å
318	S	96.8	Very high	96.3	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-25.2	-177.2	76.9	0	0	0	0	113.8	S314 V315 L316 G320 F321 Y322 A344	S314-S318 WeakPolarHBondContact O-CB 3.39Å; S314-S318 PolarHBondContact O-N 2.91Å; V315-S318 PolarHBondContact O-OG 2.89Å; L316-S318 VanDerWaalsContact C-N 3.3Å; L316-S318 PolarHBondContact O-N 3.15Å; S318-G320 PolarHBondContact O-N 3.5Å; S318-F321 PolarHBondContact O-N 2.94Å; S318-F321 VanDerWaalsContact O-N 3.17Å; S318-Y322 VanDerWaalsContact O-CD1 3.26Å; S318-Y322 WeakPolarHBondContact O-CD1 3.42Å; S318-Y322 WeakPolarHBondContact O-CE1 3.5Å; S318-A344 WeakPolarHBondContact CB-O 3.37Å; S318-A344 PolarHBondContact OG-O 3.49Å
319	K	96.3	Very high	96.4	Very high	113 Å²	113	34.2 Å²	34.2	49%	0.491	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-62.8	-27	174.6	-62.8	179.3	-178.8	-179.9	0	112.7	L316 L317 F321 Y322	L316-K319 WeakPolarHBondContact O-CB 3.44Å; L316-K319 PolarHBondContact O-N 3.11Å; L317-K319 PolarHBondContact O-N 3.48Å; L317-K319 VanDerWaalsContact O-N 3.13Å; K319-F321 VanDerWaalsContact C-N 3.29Å; K319-F321 PolarHBondContact O-N 3.2Å; K319-Y322 PolarHBondContact O-N 3.03Å
320	G	95.6	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66.2	-31.5	175.8	0	0	0	0	0	112.9	A290 L317 S318 Y322	A290-G320 WeakPolarHBondContact O-CA 3.49Å; L317-G320 PolarHBondContact O-N 2.93Å; S318-G320 PolarHBondContact O-N 3.5Å; G320-Y322 VanDerWaalsContact C-N 3.3Å; G320-Y322 PolarHBondContact O-N 3.05Å
321	F	95.8	Very high	96.5	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.022	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-78.9	-10.8	-178.7	-57.2	-57.3	0	0	0	114.1	L293 L317 S318 K319 V323 L327 L330 I345 I349 N352	L293-F321 HydrophobicContact CD1-CE1 3.69Å; L293-F321 HydrophobicContact CD1-CZ 3.65Å; L293-F321 HydrophobicContact CD2-CE1 4.33Å; L317-F321 HydrophobicContact CG-CE2 4.33Å; S318-F321 PolarHBondContact O-N 2.94Å; S318-F321 VanDerWaalsContact O-N 3.17Å; K319-F321 VanDerWaalsContact C-N 3.29Å; K319-F321 PolarHBondContact O-N 3.2Å; F321-V323 PolarHBondContact O-N 3.41Å; F321-V323 VanDerWaalsContact O-N 3.08Å; F321-L327 HydrophobicContact CE1-CD2 3.72Å; F321-L330 HydrophobicContact CE1-CD2 3.94Å; F321-L330 HydrophobicContact CE2-CD2 3.69Å; F321-L330 HydrophobicContact CZ-CD1 4.19Å; F321-L330 HydrophobicContact CZ-CD2 3.25Å; F321-L330 HydrophobicContact CZ-CG 4.32Å; F321-I345 HydrophobicContact CE2-CD1 3.99Å; F321-I345 HydrophobicContact CE2-CG2 4.33Å; F321-I349 HydrophobicContact CB-CG1 4.25Å; F321-I349 HydrophobicContact CD2-CG1 4.4Å; F321-I349 HydrophobicContact CG-CG1 4.26Å; F321-N352 WeakPolarHBondContact O-CB 3.26Å; F321-N352 PolarHBondContact O-ND2 3.46Å
322	Y	94.8	Very high	96.5	Very high	84 Å²	84	34.9 Å²	34.9	33%	0.329	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-60.1	-23.9	-178	-72.6	12.6	0	0	0	112.7	S318 K319 G320 G348 K351 N352	S318-Y322 VanDerWaalsContact O-CD1 3.26Å; S318-Y322 WeakPolarHBondContact O-CD1 3.42Å; S318-Y322 WeakPolarHBondContact O-CE1 3.5Å; K319-Y322 PolarHBondContact O-N 3.03Å; G320-Y322 VanDerWaalsContact C-N 3.3Å; G320-Y322 PolarHBondContact O-N 3.05Å; Y322-G348 VanDerWaalsContact CE1-CA 3.48Å; Y322-K351 HydrophobicContact CD1-CB 4.35Å; Y322-K351 HydrophobicContact CD1-CD 4.41Å; Y322-K351 HydrophobicContact CE1-CD 3.88Å; Y322-K351 HydrophobicContact CE2-CD 4.22Å; Y322-K351 PolarHBondContact OH-NZ 3.07Å; Y322-N352 WeakPolarHBondContact O-CB 3.13Å
323	V	94.7	Very high	96.4	Very high	78 Å²	78	30.4 Å²	30.4	47%	0.473	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-16.1	179.4	-58.1	0	0	0	0	114.4	R294 F321 S325 N352	R294-V323 HydrophobicContact CB-CG2 4.3Å; R294-V323 HydrophobicContact CG-CG2 3.58Å; R294-V323 WeakPolarHBondContact O-CG2 3.22Å; F321-V323 PolarHBondContact O-N 3.41Å; F321-V323 VanDerWaalsContact O-N 3.08Å; V323-S325 PolarHBondContact O-N 2.98Å; V323-N352 VanDerWaalsContact C-ND2 3.25Å
324	N	96.2	Very high	96.2	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.043	18%	0.181	C	C	.	.			trans	-64.9	121.5	-178.2	-174	-82	0	0	0	111.5	L293 N296 T326 L327 N352	L293-N324 WeakPolarHBondContact O-CB 3.43Å; L293-N324 PolarHBondContact O-ND2 3.1Å; N296-N324 PolarHBondContact O-ND2 3.24Å; N324-T326 PolarHBondContact ND2-OG1 3.45Å; N324-T326 PolarHBondContact OD1-N 2.6Å; N324-L327 VanDerWaalsContact OD1-CB 3.25Å; N324-L327 WeakPolarHBondContact OD1-CB 3.35Å; N324-L327 PolarHBondContact OD1-N 3.32Å; N324-N352 PolarHBondContact N-ND2 3.03Å; N324-N352 PolarHBondContact O-ND2 3.26Å
325	S	94.6	Very high	96.1	Very high	68 Å²	68	36.5 Å²	36.5	48%	0.476	18%	0.183	S	C	.	.			trans	-109.8	-2.6	-179	55.9	0	0	0	0	113.7	V323 N354	V323-S325 PolarHBondContact O-N 2.98Å; S325-N354 WeakPolarHBondContact CA-O 3.31Å; S325-N354 WeakPolarHBondContact CB-O 3.42Å
326	T	96.6	Very high	96	Very high	32 Å²	32	36.5 Å²	36.5	20%	0.196	19%	0.185	C	C	.	.	S	Bend	trans	-103.8	-29.6	-168.9	57.3	0	0	0	0	113.2	V297 L299 N324 T328	V297-T326 VanDerWaalsContact C-CG2 3.43Å; V297-T326 WeakPolarHBondContact O-CG2 3.24Å; L299-T326 CarbonylContact O-C 3.44Å; L299-T326 PolarHBondContact O-OG1 3.39Å; N324-T326 PolarHBondContact ND2-OG1 3.45Å; N324-T326 PolarHBondContact OD1-N 2.6Å; T326-T328 PolarHBondContact O-N 3.17Å
327	L	97.4	Very high	95.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.174	C	C	.	.			trans	-69.1	123.4	179.4	-162	76.6	0	0	0	110	L293 L299 L302 F321 N324 L330 G356 L357	L293-L327 HydrophobicContact CD2-CD2 4.22Å; L299-L327 HydrophobicContact CD2-CD1 4.22Å; L299-L327 HydrophobicContact CG-CD1 4.16Å; L299-L327 WeakPolarHBondContact O-CA 3.3Å; L299-L327 PolarHBondContact O-N 3.12Å; L302-L327 HydrophobicContact CB-CD1 3.8Å; L302-L327 HydrophobicContact CB-CD2 4.31Å; F321-L327 HydrophobicContact CE1-CD2 3.72Å; N324-L327 VanDerWaalsContact OD1-CB 3.25Å; N324-L327 WeakPolarHBondContact OD1-CB 3.35Å; N324-L327 PolarHBondContact OD1-N 3.32Å; L327-L330 HydrophobicContact CD2-CB 4.01Å; L327-L330 HydrophobicContact CD2-CD1 4.23Å; L327-G356 CarbonylContact O-C 3.52Å; L327-G356 VanDerWaalsContact O-C 3.3Å; L327-L357 HydrophobicContact CB-CD1 4.49Å; L327-L357 HydrophobicContact CD2-CD1 4.17Å; L327-L357 HydrophobicContact CG-CD1 4.18Å; L327-L357 VanDerWaalsContact O-CA 3.28Å; L327-L357 WeakPolarHBondContact O-CA 3.3Å; L327-L357 PolarHBondContact O-N 2.68Å
328	T	97	Very high	95.6	Very high	44 Å²	44	40.4 Å²	40.4	27%	0.27	20%	0.202	S	C	.	.			trans	-106.3	-26.6	-179.6	65.6	0	0	0	0	112.6	E300 T326 L358 E359	E300-T328 PolarHBondContact O-N 3.04Å; E300-T328 PolarHBondContact O-OG1 3.2Å; T326-T328 PolarHBondContact O-N 3.17Å; T328-L358 WeakPolarHBondContact O-CA 3.03Å; T328-L358 PolarHBondContact O-N 2.82Å; T328-E359 PolarHBondContact O-N 2.95Å
329	C	97	Very high	95.5	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.054	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.7	178.5	-176.5	0	0	0	0	110.9	E300 T301 L302 E359	E300-C329 PolarHBondContact O-N 3.36Å; T301-C329 WeakPolarHBondContact CA-O 3.4Å; T301-C329 HydrophobicContact CG2-CB 3.83Å; L302-C329 PolarHBondContact N-O 2.85Å; C329-E359 WeakPolarHBondContact CA-O 3.49Å; C329-E359 HydrophobicContact CB-CB 4.35Å; C329-E359 PolarHBondContact SG-OE2 3.08Å
330	L	97.9	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.7	174.9	177.6	63.3	0	0	0	109.5	L302 L304 F321 L327 M332 I345 L357 E359 L360 D361	L302-L330 HydrophobicContact CB-CD1 4.34Å; L302-L330 HydrophobicContact CD2-CD1 4.39Å; L302-L330 HydrophobicContact CG-CD1 4.43Å; L304-L330 HydrophobicContact CD1-CD1 4.31Å; F321-L330 HydrophobicContact CE1-CD2 3.94Å; F321-L330 HydrophobicContact CE2-CD2 3.69Å; F321-L330 HydrophobicContact CZ-CD1 4.19Å; F321-L330 HydrophobicContact CZ-CD2 3.25Å; F321-L330 HydrophobicContact CZ-CG 4.32Å; L327-L330 HydrophobicContact CD2-CB 4.01Å; L327-L330 HydrophobicContact CD2-CD1 4.23Å; L330-M332 HydrophobicContact CD1-CG 3.99Å; L330-M332 HydrophobicContact CD1-SD 4.26Å; L330-M332 HydrophobicContact CD2-CG 4.26Å; L330-M332 HydrophobicContact CD2-SD 3.75Å; L330-M332 HydrophobicContact CG-CG 3.87Å; L330-M332 HydrophobicContact CG-SD 4.05Å; L330-I345 HydrophobicContact CD2-CG2 4.13Å; L330-L357 HydrophobicContact CB-CD1 3.92Å; L330-L357 HydrophobicContact CB-CD2 4.42Å; L330-E359 PolarHBondContact N-O 3.29Å; L330-L360 HydrophobicContact CB-CD1 4.38Å; L330-L360 HydrophobicContact CD2-CD1 3.91Å; L330-L360 HydrophobicContact CG-CD1 4.24Å; L330-D361 PolarHBondContact O-N 3.47Å
331	R	97.4	Very high	95.5	Very high	77 Å²	77	38.9 Å²	38.9	29%	0.291	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127	175.1	-52.5	-167.3	-179.2	99.9	7.4	111.1	L302 D303 L304 R305 D361	L302-R331 PolarHBondContact O-N 3.03Å; D303-R331 HydrophobicContact CB-CB 4.48Å; L304-R331 CarbonylContact C-O 3.46Å; L304-R331 WeakPolarHBondContact CA-O 3.46Å; L304-R331 PolarHBondContact N-O 3.48Å; R305-R331 HydrophobicContact CG-CB 3.93Å; R305-R331 PolarHBondContact N-O 3.4Å; R331-D361 HydrophobicContact CB-CB 4.25Å; R331-D361 HydrophobicContact CG-CB 4.09Å
332	M	96.8	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.			trans	-141	11	-175.4	-63.5	-170.3	76.5	0	0	113	L304 I309 L317 L330 N335 M337 I345 D361 V362	L304-M332 HydrophobicContact CB-CG 4.34Å; I309-M332 HydrophobicContact CD1-CE 3.84Å; I309-M332 HydrophobicContact CG2-CE 4.35Å; L317-M332 HydrophobicContact CD2-CE 3.42Å; L317-M332 VanDerWaalsContact CD2-CE 3.42Å; L317-M332 HydrophobicContact CD2-SD 4.06Å; L330-M332 HydrophobicContact CD1-CG 3.99Å; L330-M332 HydrophobicContact CD1-SD 4.26Å; L330-M332 HydrophobicContact CD2-CG 4.26Å; L330-M332 HydrophobicContact CD2-SD 3.75Å; L330-M332 HydrophobicContact CG-CG 3.87Å; L330-M332 HydrophobicContact CG-SD 4.05Å; M332-N335 PolarHBondContact O-ND2 3.17Å; M332-M337 HydrophobicContact CB-CE 3.7Å; M332-M337 HydrophobicContact CB-SD 4.35Å; M332-M337 HydrophobicContact CE-CE 4.26Å; M332-M337 HydrophobicContact CE-SD 3.41Å; M332-M337 WeakPolarHBondContact CE-SD 3.39Å; M332-M337 HydrophobicContact SD-CE 4.5Å; M332-M337 HydrophobicContact SD-SD 4.27Å; M332-I345 HydrophobicContact CE-CD1 4.1Å; M332-I345 HydrophobicContact CE-CG1 4.42Å; M332-I345 HydrophobicContact SD-CD1 3.87Å; M332-I345 HydrophobicContact SD-CG1 4.05Å; M332-I345 HydrophobicContact SD-CG2 4.36Å; M332-D361 CarbonylContact C-O 3.43Å; M332-D361 WeakPolarHBondContact CA-O 3.48Å; M332-D361 PolarHBondContact N-O 3.39Å; M332-V362 HydrophobicContact CB-CG1 4.21Å
333	S	93.9	Very high	95.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	154.8	174.3	44.7	0	0	0	0	112.9	R305 D306 N335 D361 Q363	R305-S333 WeakPolarHBondContact CA-O 3.45Å; R305-S333 WeakPolarHBondContact CB-O 3.23Å; R305-S333 WeakPolarHBondContact CD-OG 3.39Å; R305-S333 WeakPolarHBondContact CG-OG 3.39Å; D306-S333 PolarHBondContact N-O 2.87Å; D306-S333 VanDerWaalsContact N-O 3.16Å; S333-N335 VanDerWaalsContact C-N 3.29Å; S333-N335 PolarHBondContact O-N 3.38Å; S333-D361 PolarHBondContact N-O 3.34Å; S333-D361 PolarHBondContact OG-OD2 3.3Å; S333-D361 VanDerWaalsContact OG-OD2 3.11Å; S333-Q363 VanDerWaalsContact CA-O 3.22Å; S333-Q363 WeakPolarHBondContact CA-O 3.48Å; S333-Q363 WeakPolarHBondContact CB-O 3.42Å
334	R	92.9	Very high	95.7	Very high	120 Å²	120	36.2 Å²	36.2	45%	0.453	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	33.8	-176.6	-59.9	-178.3	-68.9	-79	3.3	114.9	D306 Q363 D364	D306-R334 WeakPolarHBondContact CA-O 3.25Å; D306-R334 HydrophobicContact CB-CB 4.41Å; R334-Q363 PolarHBondContact N-O 2.89Å; R334-D364 HydrophobicContact CG-CB 4.12Å; R334-D364 IonicContact NH1-OD2 3.07Å; R334-D364 PolarHBondContact NH1-OD2 3.14Å
335	N	95.2	Very high	95.8	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	19%	0.19	C	C	.	.			trans	-107	144.4	166.5	-78.5	-78.6	0	0	0	110.2	L304 D306 N307 R308 I309 M332 S333 M337 I365	L304-N335 PolarHBondContact O-ND2 3.06Å; D306-N335 PolarHBondContact N-ND2 3.19Å; N307-N335 VanDerWaalsContact C-OD1 3.29Å; N307-N335 WeakPolarHBondContact CA-OD1 3.31Å; N307-N335 PolarHBondContact N-OD1 3.19Å; R308-N335 PolarHBondContact N-OD1 2.68Å; R308-N335 VanDerWaalsContact N-OD1 3.09Å; I309-N335 HydrophobicContact CB-CB 4.09Å; I309-N335 WeakPolarHBondContact CB-OD1 3.42Å; I309-N335 WeakPolarHBondContact CG1-OD1 3.36Å; I309-N335 PolarHBondContact N-OD1 2.91Å; M332-N335 PolarHBondContact O-ND2 3.17Å; S333-N335 VanDerWaalsContact C-N 3.29Å; S333-N335 PolarHBondContact O-N 3.38Å; N335-M337 HydrophobicContact CB-CE 4.4Å; N335-M337 HydrophobicContact CB-CG 3.6Å; N335-M337 HydrophobicContact CB-SD 4.25Å; N335-M337 PolarHBondContact O-N 3.31Å; N335-I365 WeakPolarHBondContact O-CD1 3.42Å
336	P	94.2	Very high	95.9	Very high	72 Å²	72	32.6 Å²	32.6	47%	0.468	17%	0.167	S	C	.	.	S	Bend	trans	-74.4	44.2	177.3	34.1	-37.9	0	0	0	112.6	I309 N310 P311 Q338	I309-P336 CarbonylContact O-C 3.29Å; I309-P336 VanDerWaalsContact O-C 3.29Å; I309-P336 VanDerWaalsContact O-CD 3.23Å; I309-P336 WeakPolarHBondContact O-CD 3.27Å; I309-P336 WeakPolarHBondContact O-CG 3.06Å; N310-P336 WeakPolarHBondContact CA-O 2.88Å; P311-P336 WeakPolarHBondContact CD-O 3.29Å; P336-Q338 VanDerWaalsContact C-N 3.28Å; P336-Q338 PolarHBondContact O-N 3.1Å
337	M	94.1	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.			trans	-73.5	-21.5	-175.9	-61.7	-165.6	-67	0	0	113	I309 P311 S314 M332 N335 G341 V362 I365	I309-M337 HydrophobicContact CB-CG 4.37Å; I309-M337 HydrophobicContact CG2-CG 4.19Å; I309-M337 HydrophobicContact CG2-SD 4.28Å; I309-M337 VanDerWaalsContact O-CG 3.26Å; I309-M337 WeakPolarHBondContact O-CG 3.15Å; I309-M337 PolarHBondContact O-N 3.03Å; P311-M337 WeakPolarHBondContact CB-O 3.16Å; P311-M337 VanDerWaalsContact CG-O 3.25Å; P311-M337 WeakPolarHBondContact CG-O 3.3Å; S314-M337 WeakPolarHBondContact OG-CG 3.03Å; S314-M337 PolarHBondContact OG-SD 3.3Å; M332-M337 HydrophobicContact CB-CE 3.7Å; M332-M337 HydrophobicContact CB-SD 4.35Å; M332-M337 HydrophobicContact CE-CE 4.26Å; M332-M337 HydrophobicContact CE-SD 3.41Å; M332-M337 WeakPolarHBondContact CE-SD 3.39Å; M332-M337 HydrophobicContact SD-CE 4.5Å; M332-M337 HydrophobicContact SD-SD 4.27Å; N335-M337 HydrophobicContact CB-CE 4.4Å; N335-M337 HydrophobicContact CB-CG 3.6Å; N335-M337 HydrophobicContact CB-SD 4.25Å; N335-M337 PolarHBondContact O-N 3.31Å; M337-G341 VanDerWaalsContact O-CA 3.27Å; M337-G341 WeakPolarHBondContact O-CA 3.12Å; M337-G341 PolarHBondContact O-N 3.38Å; M337-V362 HydrophobicContact CE-CB 4.43Å; M337-V362 HydrophobicContact CE-CG1 3.78Å; M337-I365 HydrophobicContact CB-CD1 4.3Å; M337-I365 HydrophobicContact CE-CD1 3.23Å; M337-I365 HydrophobicContact CG-CD1 4.41Å
338	Q	92.8	Very high	95.9	Very high	124 Å²	124	32.7 Å²	32.7	58%	0.579	17%	0.168	S	C	*	.	H	α-helix	trans	54.8	-175.2	-171.2	-50.3	172.4	13.5	0	0	111.4	P311 P336 A340 G341 C342	P311-Q338 HydrophobicContact CG-CB 4.23Å; P311-Q338 HydrophobicContact CG-CG 4.09Å; P336-Q338 VanDerWaalsContact C-N 3.28Å; P336-Q338 PolarHBondContact O-N 3.1Å; Q338-A340 VanDerWaalsContact C-N 3.27Å; Q338-A340 PolarHBondContact O-N 2.84Å; Q338-G341 PolarHBondContact O-N 3.08Å; Q338-C342 PolarHBondContact O-N 3.46Å; Q338-C342 PolarHBondContact O-SG 3.37Å
339	T	94.7	Very high	95.8	Very high	30 Å²	30	30.6 Å²	30.6	18%	0.184	16%	0.155	C	C	.	.	H	α-helix	trans	-53.4	-46.6	171.5	-56.2	0	0	0	0	111.8	G341 C342 Y343 I366 V367 N368 F371	T339-G341 VanDerWaalsContact C-N 3.31Å; T339-G341 PolarHBondContact O-N 3.1Å; T339-C342 PolarHBondContact O-N 2.95Å; T339-Y343 WeakPolarHBondContact O-CB 3.4Å; T339-Y343 PolarHBondContact O-N 2.77Å; T339-I366 PolarHBondContact OG1-O 3.29Å; T339-V367 WeakPolarHBondContact OG1-CA 3.01Å; T339-N368 HydrophobicContact CG2-CB 4.13Å; T339-N368 WeakPolarHBondContact CG2-OD1 3.31Å; T339-N368 PolarHBondContact OG1-N 3.45Å; T339-F371 HydrophobicContact CG2-CB 4.11Å
340	A	95.7	Very high	95.7	Very high	56 Å²	56	31.5 Å²	31.5	46%	0.463	16%	0.159	S	C	.	.	H	α-helix	trans	-59.6	-40.1	-173.1	0	0	0	0	0	112.6	P311 Q338 A344	P311-A340 HydrophobicContact CB-CB 4.09Å; Q338-A340 VanDerWaalsContact C-N 3.27Å; Q338-A340 PolarHBondContact O-N 2.84Å; A340-A344 WeakPolarHBondContact O-CB 3.22Å; A340-A344 PolarHBondContact O-N 3.21Å
341	G	96.4	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-72	-41	176.8	0	0	0	0	0	113	S314 M337 Q338 T339 Y343 A344 I345	S314-G341 WeakPolarHBondContact CB-O 3.41Å; M337-G341 VanDerWaalsContact O-CA 3.27Å; M337-G341 WeakPolarHBondContact O-CA 3.12Å; M337-G341 PolarHBondContact O-N 3.38Å; Q338-G341 PolarHBondContact O-N 3.08Å; T339-G341 VanDerWaalsContact C-N 3.31Å; T339-G341 PolarHBondContact O-N 3.1Å; G341-Y343 VanDerWaalsContact C-N 3.33Å; G341-Y343 PolarHBondContact O-N 3.06Å; G341-A344 PolarHBondContact O-N 2.92Å; G341-I345 WeakPolarHBondContact O-CG1 3.41Å; G341-I345 PolarHBondContact O-N 2.95Å
342	C	95.9	Very high	95.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-44.7	173	-67.5	0	0	0	0	111.6	Q338 T339 A344 I345 L346 V367 F371	Q338-C342 PolarHBondContact O-N 3.46Å; Q338-C342 PolarHBondContact O-SG 3.37Å; T339-C342 PolarHBondContact O-N 2.95Å; C342-A344 VanDerWaalsContact C-N 3.33Å; C342-A344 PolarHBondContact O-N 3.11Å; C342-I345 PolarHBondContact O-N 3.08Å; C342-L346 PolarHBondContact O-N 2.9Å; C342-V367 HydrophobicContact CB-CG1 4.11Å; C342-F371 HydrophobicContact CB-CD2 3.78Å; C342-F371 HydrophobicContact CB-CE2 3.59Å; C342-F371 HydrophobicContact CB-CZ 4.31Å
343	Y	96.8	Very high	95.2	Very high	98 Å²	98	39.7 Å²	39.7	38%	0.384	21%	0.209	S	C	.	.	H	α-helix	trans	-59.6	-43.7	175.6	-170.2	-77.7	0	0	0	111.3	T339 G341 L346 T347 D370 L374	T339-Y343 WeakPolarHBondContact O-CB 3.4Å; T339-Y343 PolarHBondContact O-N 2.77Å; G341-Y343 VanDerWaalsContact C-N 3.33Å; G341-Y343 PolarHBondContact O-N 3.06Å; Y343-L346 PolarHBondContact O-N 2.92Å; Y343-T347 WeakPolarHBondContact CD1-OG1 3.35Å; Y343-T347 VanDerWaalsContact CE1-OG1 3.29Å; Y343-T347 WeakPolarHBondContact CE1-OG1 3.23Å; Y343-T347 VanDerWaalsContact O-CB 3.26Å; Y343-T347 WeakPolarHBondContact O-CB 3.38Å; Y343-T347 PolarHBondContact O-N 2.93Å; Y343-T347 PolarHBondContact O-OG1 3Å; Y343-D370 HydrophobicContact CD2-CB 4.37Å; Y343-D370 HydrophobicContact CE2-CB 4.24Å; Y343-D370 WeakPolarHBondContact CE2-O 3.18Å; Y343-L374 HydrophobicContact CD1-CD2 4.04Å; Y343-L374 HydrophobicContact CD2-CB 4.17Å; Y343-L374 HydrophobicContact CD2-CD2 3.68Å; Y343-L374 HydrophobicContact CE1-CD2 4.08Å; Y343-L374 HydrophobicContact CE2-CB 3.82Å; Y343-L374 HydrophobicContact CE2-CD2 3.74Å; Y343-L374 HydrophobicContact CE2-CG 4.24Å; Y343-L374 HydrophobicContact CG-CD2 3.83Å; Y343-L374 WeakPolarHBondContact O-CD2 3.38Å
344	A	97.3	Very high	95.1	Very high	12 Å²	12	45.3 Å²	45.3	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-42.9	178.9	0	0	0	0	0	112.8	V315 S318 A340 G341 C342 G348	V315-A344 HydrophobicContact CB-CB 4.38Å; V315-A344 HydrophobicContact CG2-CB 3.6Å; S318-A344 WeakPolarHBondContact CB-O 3.37Å; S318-A344 PolarHBondContact OG-O 3.49Å; A340-A344 WeakPolarHBondContact O-CB 3.22Å; A340-A344 PolarHBondContact O-N 3.21Å; G341-A344 PolarHBondContact O-N 2.92Å; C342-A344 VanDerWaalsContact C-N 3.33Å; C342-A344 PolarHBondContact O-N 3.11Å; A344-G348 PolarHBondContact O-N 2.79Å
345	I	97.4	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-51.3	177.4	-65	-69.3	0	0	0	110.4	S314 L317 F321 L330 M332 G341 C342 T347 G348 I349 L360	S314-I345 WeakPolarHBondContact O-CD1 3.16Å; L317-I345 HydrophobicContact CB-CD1 4.24Å; L317-I345 HydrophobicContact CD2-CD1 4.17Å; L317-I345 HydrophobicContact CG-CD1 4.4Å; F321-I345 HydrophobicContact CE2-CD1 3.99Å; F321-I345 HydrophobicContact CE2-CG2 4.33Å; L330-I345 HydrophobicContact CD2-CG2 4.13Å; M332-I345 HydrophobicContact CE-CD1 4.1Å; M332-I345 HydrophobicContact CE-CG1 4.42Å; M332-I345 HydrophobicContact SD-CD1 3.87Å; M332-I345 HydrophobicContact SD-CG1 4.05Å; M332-I345 HydrophobicContact SD-CG2 4.36Å; G341-I345 WeakPolarHBondContact O-CG1 3.41Å; G341-I345 PolarHBondContact O-N 2.95Å; C342-I345 PolarHBondContact O-N 3.08Å; I345-T347 VanDerWaalsContact C-N 3.32Å; I345-T347 PolarHBondContact O-N 3.1Å; I345-G348 PolarHBondContact O-N 3.39Å; I345-G348 VanDerWaalsContact O-N 3.1Å; I345-I349 HydrophobicContact CG2-CD1 3.84Å; I345-I349 WeakPolarHBondContact O-CG1 3.43Å; I345-I349 PolarHBondContact O-N 2.8Å; I345-L360 HydrophobicContact CG2-CD1 3.88Å; I345-L360 HydrophobicContact CG2-CD2 4.2Å
346	L	96.4	Very high	94.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-39	-180	-174.9	58.1	0	0	0	111.9	C342 Y343 G348 I349 L350 L360 F371 L374 Q375 A378 L385 V387	C342-L346 PolarHBondContact O-N 2.9Å; Y343-L346 PolarHBondContact O-N 2.92Å; L346-G348 VanDerWaalsContact C-N 3.33Å; L346-G348 PolarHBondContact O-N 3.04Å; L346-I349 WeakPolarHBondContact O-CB 3.31Å; L346-I349 PolarHBondContact O-N 3Å; L346-L350 HydrophobicContact CD1-CG 4.47Å; L346-L350 HydrophobicContact CG-CD1 4.19Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 3.1Å; L346-L360 HydrophobicContact CD1-CD2 4.32Å; L346-F371 HydrophobicContact CB-CE2 4.25Å; L346-F371 HydrophobicContact CD2-CE2 3.94Å; L346-F371 HydrophobicContact CD2-CZ 4.22Å; L346-L374 HydrophobicContact CB-CD2 3.85Å; L346-L374 HydrophobicContact CD2-CB 4.33Å; L346-L374 HydrophobicContact CD2-CD2 3.89Å; L346-L374 HydrophobicContact CD2-CG 3.81Å; L346-L374 HydrophobicContact CG-CD2 3.89Å; L346-L374 HydrophobicContact CG-CG 4.06Å; L346-Q375 HydrophobicContact CD2-CB 4.15Å; L346-A378 HydrophobicContact CD1-CB 3.86Å; L346-A378 HydrophobicContact CD2-CB 4.22Å; L346-A378 HydrophobicContact CG-CB 4.31Å; L346-L385 HydrophobicContact CD1-CD2 4.08Å; L346-V387 HydrophobicContact CD1-CG2 4.4Å
347	T	97	Very high	94.8	Very high	35 Å²	35	38.4 Å²	38.4	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-42.5	173.3	-62.9	0	0	0	0	111.5	Y343 I345 L350 K351 L374	Y343-T347 WeakPolarHBondContact CD1-OG1 3.35Å; Y343-T347 VanDerWaalsContact CE1-OG1 3.29Å; Y343-T347 WeakPolarHBondContact CE1-OG1 3.23Å; Y343-T347 VanDerWaalsContact O-CB 3.26Å; Y343-T347 WeakPolarHBondContact O-CB 3.38Å; Y343-T347 PolarHBondContact O-N 2.93Å; Y343-T347 PolarHBondContact O-OG1 3Å; I345-T347 VanDerWaalsContact C-N 3.32Å; I345-T347 PolarHBondContact O-N 3.1Å; T347-L350 PolarHBondContact O-N 3.33Å; T347-K351 WeakPolarHBondContact O-CG 3.08Å; T347-K351 PolarHBondContact O-N 2.8Å; T347-L374 WeakPolarHBondContact OG1-CD2 3.13Å
348	G	96.3	Very high	94.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-39	178.4	0	0	0	0	0	113.3	Y322 A344 I345 L346 K351	Y322-G348 VanDerWaalsContact CE1-CA 3.48Å; A344-G348 PolarHBondContact O-N 2.79Å; I345-G348 PolarHBondContact O-N 3.39Å; I345-G348 VanDerWaalsContact O-N 3.1Å; L346-G348 VanDerWaalsContact C-N 3.33Å; L346-G348 PolarHBondContact O-N 3.04Å; G348-K351 PolarHBondContact O-N 3.16Å
349	I	96.3	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-46.8	171.7	-71.8	158.4	0	0	0	110.6	F321 I345 L346 K351 N352 L357 L360 L382 L385	F321-I349 HydrophobicContact CB-CG1 4.25Å; F321-I349 HydrophobicContact CD2-CG1 4.4Å; F321-I349 HydrophobicContact CG-CG1 4.26Å; I345-I349 HydrophobicContact CG2-CD1 3.84Å; I345-I349 WeakPolarHBondContact O-CG1 3.43Å; I345-I349 PolarHBondContact O-N 2.8Å; L346-I349 WeakPolarHBondContact O-CB 3.31Å; L346-I349 PolarHBondContact O-N 3Å; I349-K351 VanDerWaalsContact C-N 3.28Å; I349-K351 PolarHBondContact O-N 2.9Å; I349-N352 PolarHBondContact O-N 3.14Å; I349-N352 VanDerWaalsContact O-N 3.17Å; I349-L357 HydrophobicContact CD1-CD2 3.39Å; I349-L357 HydrophobicContact CG1-CD2 3.96Å; I349-L360 HydrophobicContact CD1-CD1 4.42Å; I349-L360 HydrophobicContact CD1-CD2 3.87Å; I349-L382 HydrophobicContact CG2-CD1 3.6Å; I349-L385 HydrophobicContact CG2-CD2 4.04Å
350	L	95.2	Very high	94.9	Very high	28 Å²	28	37 Å²	37	15%	0.147	21%	0.208	C	C	.	.	H	α-helix	trans	-71.2	-17.4	-177.9	-68.9	172.7	0	0	0	115	L346 T347 N352 L374 A378 K381 L382	L346-L350 HydrophobicContact CD1-CG 4.47Å; L346-L350 HydrophobicContact CG-CD1 4.19Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 3.1Å; T347-L350 PolarHBondContact O-N 3.33Å; L350-N352 VanDerWaalsContact C-N 3.29Å; L350-L374 HydrophobicContact CD1-CD1 3.65Å; L350-L374 HydrophobicContact CD1-CG 4.07Å; L350-A378 HydrophobicContact CD1-CB 3.93Å; L350-A378 HydrophobicContact CD2-CB 3.72Å; L350-A378 HydrophobicContact CG-CB 4.21Å; L350-K381 HydrophobicContact CD2-CB 4.11Å; L350-K381 HydrophobicContact CD2-CD 4.25Å; L350-L382 HydrophobicContact CD2-CD1 3.94Å; L350-L382 HydrophobicContact CD2-CG 4.3Å
351	K	95.4	Very high	94.8	Very high	124 Å²	124	34.7 Å²	34.7	54%	0.539	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.3	173.2	-78.8	-178.1	178.5	-173.6	0	112.9	Y322 T347 G348 I349 P353	Y322-K351 HydrophobicContact CD1-CB 4.35Å; Y322-K351 HydrophobicContact CD1-CD 4.41Å; Y322-K351 HydrophobicContact CE1-CD 3.88Å; Y322-K351 HydrophobicContact CE2-CD 4.22Å; Y322-K351 PolarHBondContact OH-NZ 3.07Å; T347-K351 WeakPolarHBondContact O-CG 3.08Å; T347-K351 PolarHBondContact O-N 2.8Å; G348-K351 PolarHBondContact O-N 3.16Å; I349-K351 VanDerWaalsContact C-N 3.28Å; I349-K351 PolarHBondContact O-N 2.9Å; K351-P353 WeakPolarHBondContact O-CD 3.44Å
352	N	94.9	Very high	94.7	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	19%	0.188	C	C	.	.			trans	-97.5	108.9	-178.4	-176.7	-1.8	0	0	0	111.2	F321 Y322 V323 N324 I349 L350 N354 C355	F321-N352 WeakPolarHBondContact O-CB 3.26Å; F321-N352 PolarHBondContact O-ND2 3.46Å; Y322-N352 WeakPolarHBondContact O-CB 3.13Å; V323-N352 VanDerWaalsContact C-ND2 3.25Å; N324-N352 PolarHBondContact N-ND2 3.03Å; N324-N352 PolarHBondContact O-ND2 3.26Å; I349-N352 PolarHBondContact O-N 3.14Å; I349-N352 VanDerWaalsContact O-N 3.17Å; L350-N352 VanDerWaalsContact C-N 3.29Å; N352-N354 PolarHBondContact O-N 2.81Å; N352-N354 PolarHBondContact OD1-N 2.8Å; N352-C355 HydrophobicContact CB-CB 4.13Å; N352-C355 WeakPolarHBondContact O-CB 3.37Å; N352-C355 PolarHBondContact O-N 3.45Å; N352-C355 PolarHBondContact OD1-N 2.62Å
353	P	90.1	Very high	94.3	Very high	118 Å²	118	37.4 Å²	37.4	77%	0.766	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-21	179.1	28	-35	0	0	0	113.4	K351	K351-P353 WeakPolarHBondContact O-CD 3.44Å
354	N	92.1	Very high	93.8	Very high	120 Å²	120	36.6 Å²	36.6	64%	0.642	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	19.4	-179.8	-61.9	-38.6	0	0	0	112.2	S325 N352 G356	S325-N354 WeakPolarHBondContact CA-O 3.31Å; S325-N354 WeakPolarHBondContact CB-O 3.42Å; N352-N354 PolarHBondContact O-N 2.81Å; N352-N354 PolarHBondContact OD1-N 2.8Å; N354-G356 PolarHBondContact O-N 2.64Å
355	C	91.5	Very high	93.3	Very high	22 Å²	22	36.4 Å²	36.4	15%	0.149	20%	0.2	C	C	.	.			trans	-61.4	124.1	-178.2	-170.4	0	0	0	0	111.3	N352 L357	N352-C355 HydrophobicContact CB-CB 4.13Å; N352-C355 WeakPolarHBondContact O-CB 3.37Å; N352-C355 PolarHBondContact O-N 3.45Å; N352-C355 PolarHBondContact OD1-N 2.62Å; C355-L357 VanDerWaalsContact SG-CB 3.54Å; C355-L357 PolarHBondContact SG-N 2.91Å
356	G	90.6	Very high	92.8	Very high	24 Å²	24	43.6 Å²	43.6	25%	0.247	24%	0.237	C	C	.	.			trans	-88.6	-0	176.2	0	0	0	0	0	114.6	L327 N354 L358	L327-G356 CarbonylContact O-C 3.52Å; L327-G356 VanDerWaalsContact O-C 3.3Å; N354-G356 PolarHBondContact O-N 2.64Å; G356-L358 PolarHBondContact O-N 3.27Å
357	L	94.5	Very high	92.5	Very high	8 Å²	8	45 Å²	45	4%	0.042	25%	0.245	C	C	.	.			trans	-67.7	125.9	-171	-160.1	76.4	0	0	0	111.5	L327 L330 I349 C355 L360 L385	L327-L357 HydrophobicContact CB-CD1 4.49Å; L327-L357 HydrophobicContact CD2-CD1 4.17Å; L327-L357 HydrophobicContact CG-CD1 4.18Å; L327-L357 VanDerWaalsContact O-CA 3.28Å; L327-L357 WeakPolarHBondContact O-CA 3.3Å; L327-L357 PolarHBondContact O-N 2.68Å; L330-L357 HydrophobicContact CB-CD1 3.92Å; L330-L357 HydrophobicContact CB-CD2 4.42Å; I349-L357 HydrophobicContact CD1-CD2 3.39Å; I349-L357 HydrophobicContact CG1-CD2 3.96Å; C355-L357 VanDerWaalsContact SG-CB 3.54Å; C355-L357 PolarHBondContact SG-N 2.91Å; L357-L360 HydrophobicContact CD2-CB 4.08Å; L357-L385 HydrophobicContact CB-CD1 4.23Å; L357-L385 HydrophobicContact CD2-CD1 3.93Å; L357-L385 HydrophobicContact CG-CD1 4.02Å
358	L	93.5	Very high	92.3	Very high	80 Å²	80	46.4 Å²	46.4	42%	0.419	25%	0.251	S	S	.	.			trans	-106.6	-28.7	177.9	-57.8	-179.9	0	0	0	111.7	T328 G356 N384 C386	T328-L358 WeakPolarHBondContact O-CA 3.03Å; T328-L358 PolarHBondContact O-N 2.82Å; G356-L358 PolarHBondContact O-N 3.27Å; L358-N384 HydrophobicContact CD2-CB 4.07Å; L358-C386 PolarHBondContact O-N 2.87Å
359	E	94.1	Very high	92.1	Very high	44 Å²	44	51.9 Å²	51.9	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.9	-179.6	-175.2	173.8	-159	0	0	111.3	T328 C329 L330 C386 R388	T328-E359 PolarHBondContact O-N 2.95Å; C329-E359 WeakPolarHBondContact CA-O 3.49Å; C329-E359 HydrophobicContact CB-CB 4.35Å; C329-E359 PolarHBondContact SG-OE2 3.08Å; L330-E359 PolarHBondContact N-O 3.29Å; E359-C386 CarbonylContact C-O 3.57Å; E359-C386 WeakPolarHBondContact CA-O 3.44Å; E359-R388 IonicContact OE1-CZ 3.87Å; E359-R388 IonicContact OE1-NE 3.4Å; E359-R388 PolarHBondContact OE1-NE 3.49Å; E359-R388 IonicContact OE1-NH2 3.11Å
360	L	95.9	Very high	92	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.2	166.8	174.3	60.8	0	0	0	108.6	L330 I345 L346 I349 L357 V362 L385 C386 V387 R388	L330-L360 HydrophobicContact CB-CD1 4.38Å; L330-L360 HydrophobicContact CD2-CD1 3.91Å; L330-L360 HydrophobicContact CG-CD1 4.24Å; I345-L360 HydrophobicContact CG2-CD1 3.88Å; I345-L360 HydrophobicContact CG2-CD2 4.2Å; L346-L360 HydrophobicContact CD1-CD2 4.32Å; I349-L360 HydrophobicContact CD1-CD1 4.42Å; I349-L360 HydrophobicContact CD1-CD2 3.87Å; L357-L360 HydrophobicContact CD2-CB 4.08Å; L360-V362 HydrophobicContact CD1-CG1 4.03Å; L360-V362 HydrophobicContact CG-CG1 4.24Å; L360-L385 HydrophobicContact CB-CD1 4.3Å; L360-C386 PolarHBondContact N-O 3.4Å; L360-V387 HydrophobicContact CB-CG1 4.44Å; L360-V387 HydrophobicContact CB-CG2 4.44Å; L360-V387 HydrophobicContact CD2-CG1 4.07Å; L360-V387 HydrophobicContact CG-CG1 4.29Å; L360-V387 CarbonylContact O-C 3.56Å; L360-V387 WeakPolarHBondContact O-CA 3.45Å; L360-R388 PolarHBondContact O-N 3.33Å
361	D	94.2	Very high	92	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.5	175.3	172.1	22	0	0	0	110.9	L330 R331 M332 S333 Q363	L330-D361 PolarHBondContact O-N 3.47Å; R331-D361 HydrophobicContact CB-CB 4.25Å; R331-D361 HydrophobicContact CG-CB 4.09Å; M332-D361 CarbonylContact C-O 3.43Å; M332-D361 WeakPolarHBondContact CA-O 3.48Å; M332-D361 PolarHBondContact N-O 3.39Å; S333-D361 PolarHBondContact N-O 3.34Å; S333-D361 PolarHBondContact OG-OD2 3.3Å; S333-D361 VanDerWaalsContact OG-OD2 3.11Å; D361-Q363 VanDerWaalsContact OD1-CB 3.27Å; D361-Q363 WeakPolarHBondContact OD1-CB 3.44Å; D361-Q363 VanDerWaalsContact OD1-CG 3.22Å; D361-Q363 WeakPolarHBondContact OD1-CG 3.44Å; D361-Q363 PolarHBondContact OD1-N 3.07Å
362	V	94	Very high	91.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	36	170.1	-65.2	0	0	0	0	110.5	M332 M337 L360 I365 F371 V387 R388	M332-V362 HydrophobicContact CB-CG1 4.21Å; M337-V362 HydrophobicContact CE-CB 4.43Å; M337-V362 HydrophobicContact CE-CG1 3.78Å; L360-V362 HydrophobicContact CD1-CG1 4.03Å; L360-V362 HydrophobicContact CG-CG1 4.24Å; V362-I365 HydrophobicContact CB-CD1 4.3Å; V362-F371 HydrophobicContact CG2-CZ 4.35Å; V362-V387 HydrophobicContact CG2-CG1 4.46Å; V362-R388 CarbonylContact C-O 3.53Å; V362-R388 VanDerWaalsContact C-O 3.28Å; V362-R388 WeakPolarHBondContact CA-O 3.43Å; V362-R388 WeakPolarHBondContact CG2-O 3.43Å; V362-R388 PolarHBondContact N-O 3.28Å
363	Q	87.9	Confident	91.7	Very high	58 Å²	58	54.7 Å²	54.7	27%	0.271	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	157	172.7	-71.4	-177.6	-35.8	0	0	111.9	S333 R334 D361 I365 R388	S333-Q363 VanDerWaalsContact CA-O 3.22Å; S333-Q363 WeakPolarHBondContact CA-O 3.48Å; S333-Q363 WeakPolarHBondContact CB-O 3.42Å; R334-Q363 PolarHBondContact N-O 2.89Å; D361-Q363 VanDerWaalsContact OD1-CB 3.27Å; D361-Q363 WeakPolarHBondContact OD1-CB 3.44Å; D361-Q363 VanDerWaalsContact OD1-CG 3.22Å; D361-Q363 WeakPolarHBondContact OD1-CG 3.44Å; D361-Q363 PolarHBondContact OD1-N 3.07Å; Q363-I365 PolarHBondContact O-N 3.43Å; Q363-R388 HydrophobicContact CG-CB 3.61Å; Q363-R388 PolarHBondContact N-O 2.74Å
364	D	84.5	Confident	91.9	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	15.8	-177.8	-49.2	-40.2	0	0	0	114.7	R334 G390	R334-D364 HydrophobicContact CG-CB 4.12Å; R334-D364 IonicContact NH1-OD2 3.07Å; R334-D364 PolarHBondContact NH1-OD2 3.14Å; D364-G390 PolarHBondContact N-O 2.84Å
365	I	88.4	Confident	91.9	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.041	24%	0.239	C	C	.	.			trans	-115.6	125.8	173	-54.2	175	0	0	0	108.9	N335 M337 V362 Q363 G390	N335-I365 WeakPolarHBondContact O-CD1 3.42Å; M337-I365 HydrophobicContact CB-CD1 4.3Å; M337-I365 HydrophobicContact CE-CD1 3.23Å; M337-I365 HydrophobicContact CG-CD1 4.41Å; V362-I365 HydrophobicContact CB-CD1 4.3Å; Q363-I365 PolarHBondContact O-N 3.43Å; I365-G390 PolarHBondContact O-N 3.22Å
366	I	86.1	Confident	91.8	Very high	151 Å²	151	48 Å²	48	77%	0.774	25%	0.254	S	S	*	.			trans	-72.8	130	176.3	-57.5	173.6	0	0	0	108.5	T339	T339-I366 PolarHBondContact OG1-O 3.29Å
367	V	90.5	Very high	91.8	Very high	29 Å²	29	49.8 Å²	49.8	18%	0.176	26%	0.262	C	S	.	.			trans	-123	149.5	178.7	-64.3	0	0	0	0	110.1	T339 C342 F371 L372 Y389	T339-V367 WeakPolarHBondContact OG1-CA 3.01Å; C342-V367 HydrophobicContact CB-CG1 4.11Å; V367-F371 HydrophobicContact CB-CB 3.92Å; V367-F371 HydrophobicContact CB-CD1 3.65Å; V367-F371 HydrophobicContact CB-CE1 4.39Å; V367-F371 HydrophobicContact CB-CG 3.88Å; V367-F371 HydrophobicContact CG1-CB 4.38Å; V367-F371 HydrophobicContact CG1-CD1 3.75Å; V367-F371 HydrophobicContact CG1-CD2 4.41Å; V367-F371 HydrophobicContact CG1-CE1 4.09Å; V367-F371 HydrophobicContact CG1-CG 3.91Å; V367-F371 HydrophobicContact CG2-CD1 3.66Å; V367-F371 HydrophobicContact CG2-CE1 4.22Å; V367-F371 HydrophobicContact CG2-CG 4.38Å; V367-L372 HydrophobicContact CG2-CD2 4.47Å; V367-Y389 HydrophobicContact CG2-CD2 3.74Å; V367-Y389 HydrophobicContact CG2-CE2 4.38Å; V367-Y389 HydrophobicContact CG2-CG 4.32Å
368	N	92.5	Very high	91.6	Very high	65 Å²	65	49.5 Å²	49.5	35%	0.348	26%	0.261	S	S	.	.			trans	-97.6	-174.5	177.8	77	-3.5	0	0	0	111.6	T339 D370 F371 L372	T339-N368 HydrophobicContact CG2-CB 4.13Å; T339-N368 WeakPolarHBondContact CG2-OD1 3.31Å; T339-N368 PolarHBondContact OG1-N 3.45Å; N368-D370 PolarHBondContact ND2-OD2 3.26Å; N368-D370 PolarHBondContact O-N 2.94Å; N368-D370 WeakPolarHBondContact OD1-CB 3.17Å; N368-D370 PolarHBondContact OD1-N 3.29Å; N368-F371 PolarHBondContact O-N 2.77Å; N368-F371 PolarHBondContact OD1-N 3.47Å; N368-L372 PolarHBondContact O-N 3.04Å
369	Q	92.6	Very high	91.2	Very high	115 Å²	115	49.9 Å²	49.9	54%	0.537	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-38.3	178.8	-169.9	59.3	42.2	0	0	113.6	F371 L372 D373	Q369-F371 PolarHBondContact O-N 2.9Å; Q369-L372 WeakPolarHBondContact O-CA 3.38Å; Q369-L372 WeakPolarHBondContact O-CB 3.41Å; Q369-L372 PolarHBondContact O-N 3.08Å; Q369-D373 PolarHBondContact NE2-OD1 3.46Å; Q369-D373 PolarHBondContact O-N 2.79Å
370	D	94.3	Very high	90.9	Very high	91 Å²	91	54.6 Å²	54.6	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-58.4	-37.8	-179.5	-50.7	-39.3	0	0	0	112	Y343 N368 L374	Y343-D370 HydrophobicContact CD2-CB 4.37Å; Y343-D370 HydrophobicContact CE2-CB 4.24Å; Y343-D370 WeakPolarHBondContact CE2-O 3.18Å; N368-D370 PolarHBondContact ND2-OD2 3.26Å; N368-D370 PolarHBondContact O-N 2.94Å; N368-D370 WeakPolarHBondContact OD1-CB 3.17Å; N368-D370 PolarHBondContact OD1-N 3.29Å; D370-L374 WeakPolarHBondContact O-CB 3.33Å; D370-L374 PolarHBondContact O-N 2.93Å; D370-L374 VanDerWaalsContact O-N 3.1Å
371	F	94.6	Very high	90.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-38.3	175	178.4	-92.9	0	0	0	112.1	T339 C342 L346 V362 V367 N368 Q369 L374 Q375 V387 Y389	T339-F371 HydrophobicContact CG2-CB 4.11Å; C342-F371 HydrophobicContact CB-CD2 3.78Å; C342-F371 HydrophobicContact CB-CE2 3.59Å; C342-F371 HydrophobicContact CB-CZ 4.31Å; L346-F371 HydrophobicContact CB-CE2 4.25Å; L346-F371 HydrophobicContact CD2-CE2 3.94Å; L346-F371 HydrophobicContact CD2-CZ 4.22Å; V362-F371 HydrophobicContact CG2-CZ 4.35Å; V367-F371 HydrophobicContact CB-CB 3.92Å; V367-F371 HydrophobicContact CB-CD1 3.65Å; V367-F371 HydrophobicContact CB-CE1 4.39Å; V367-F371 HydrophobicContact CB-CG 3.88Å; V367-F371 HydrophobicContact CG1-CB 4.38Å; V367-F371 HydrophobicContact CG1-CD1 3.75Å; V367-F371 HydrophobicContact CG1-CD2 4.41Å; V367-F371 HydrophobicContact CG1-CE1 4.09Å; V367-F371 HydrophobicContact CG1-CG 3.91Å; V367-F371 HydrophobicContact CG2-CD1 3.66Å; V367-F371 HydrophobicContact CG2-CE1 4.22Å; V367-F371 HydrophobicContact CG2-CG 4.38Å; N368-F371 PolarHBondContact O-N 2.77Å; N368-F371 PolarHBondContact OD1-N 3.47Å; Q369-F371 PolarHBondContact O-N 2.9Å; F371-L374 PolarHBondContact O-N 3.17Å; F371-Q375 WeakPolarHBondContact O-CB 3.4Å; F371-Q375 PolarHBondContact O-N 3.14Å; F371-V387 HydrophobicContact CZ-CG1 4.01Å; F371-Y389 AromaticContact CE1-CD1 3.81Å; F371-Y389 HydrophobicContact CE1-CD1 3.81Å; F371-Y389 HydrophobicContact CE1-CE1 4.33Å; F371-Y389 AromaticContact CE1-CG 3.88Å; F371-Y389 HydrophobicContact CE1-CG 3.88Å
372	L	91.4	Very high	90.3	Very high	47 Å²	47	62.6 Å²	62.6	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-43.5	177.1	-60.2	177	0	0	0	110.8	V367 N368 Q369 L374 Q375 D376 Y389	V367-L372 HydrophobicContact CG2-CD2 4.47Å; N368-L372 PolarHBondContact O-N 3.04Å; Q369-L372 WeakPolarHBondContact O-CA 3.38Å; Q369-L372 WeakPolarHBondContact O-CB 3.41Å; Q369-L372 PolarHBondContact O-N 3.08Å; L372-L374 VanDerWaalsContact C-N 3.32Å; L372-L374 PolarHBondContact O-N 3.45Å; L372-Q375 WeakPolarHBondContact O-CB 3.32Å; L372-Q375 PolarHBondContact O-N 3.31Å; L372-Q375 VanDerWaalsContact O-N 3.11Å; L372-D376 PolarHBondContact O-N 3.06Å; L372-Y389 HydrophobicContact CD2-CD2 4.38Å; L372-Y389 HydrophobicContact CD2-CE2 3.5Å; L372-Y389 VanDerWaalsContact CD2-CE2 3.5Å; L372-Y389 WeakPolarHBondContact CD2-OH 3.45Å
373	D	93.1	Very high	89.8	Confident	80 Å²	80	67.2 Å²	67.2	43%	0.428	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-40.1	176.3	-61.6	-17.7	0	0	0	111.5	Q369 D376 S377	Q369-D373 PolarHBondContact NE2-OD1 3.46Å; Q369-D373 PolarHBondContact O-N 2.79Å; D373-D376 PolarHBondContact O-N 3.17Å; D373-S377 PolarHBondContact O-N 3.04Å; D373-S377 VanDerWaalsContact O-N 3.11Å; D373-S377 PolarHBondContact O-OG 2.79Å
374	L	94.6	Very high	89.7	Confident	21 Å²	21	68 Å²	68	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-39.3	173.2	-174.9	66.9	0	0	0	111.7	Y343 L346 T347 L350 D370 F371 L372 S377 A378	Y343-L374 HydrophobicContact CD1-CD2 4.04Å; Y343-L374 HydrophobicContact CD2-CB 4.17Å; Y343-L374 HydrophobicContact CD2-CD2 3.68Å; Y343-L374 HydrophobicContact CE1-CD2 4.08Å; Y343-L374 HydrophobicContact CE2-CB 3.82Å; Y343-L374 HydrophobicContact CE2-CD2 3.74Å; Y343-L374 HydrophobicContact CE2-CG 4.24Å; Y343-L374 HydrophobicContact CG-CD2 3.83Å; Y343-L374 WeakPolarHBondContact O-CD2 3.38Å; L346-L374 HydrophobicContact CB-CD2 3.85Å; L346-L374 HydrophobicContact CD2-CB 4.33Å; L346-L374 HydrophobicContact CD2-CD2 3.89Å; L346-L374 HydrophobicContact CD2-CG 3.81Å; L346-L374 HydrophobicContact CG-CD2 3.89Å; L346-L374 HydrophobicContact CG-CG 4.06Å; T347-L374 WeakPolarHBondContact OG1-CD2 3.13Å; L350-L374 HydrophobicContact CD1-CD1 3.65Å; L350-L374 HydrophobicContact CD1-CG 4.07Å; D370-L374 WeakPolarHBondContact O-CB 3.33Å; D370-L374 PolarHBondContact O-N 2.93Å; D370-L374 VanDerWaalsContact O-N 3.1Å; F371-L374 PolarHBondContact O-N 3.17Å; L372-L374 VanDerWaalsContact C-N 3.32Å; L372-L374 PolarHBondContact O-N 3.45Å; L374-S377 WeakPolarHBondContact O-CB 3.27Å; L374-S377 PolarHBondContact O-N 3.15Å; L374-A378 WeakPolarHBondContact O-CB 3.48Å; L374-A378 PolarHBondContact O-N 2.73Å
375	Q	91.4	Very high	90	Very high	15 Å²	15	64.8 Å²	64.8	7%	0.07	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-37	177	-179.9	-90.6	-78.9	0	0	111.9	L346 F371 L372 A378 R379 V387 Y389 T394	L346-Q375 HydrophobicContact CD2-CB 4.15Å; F371-Q375 WeakPolarHBondContact O-CB 3.4Å; F371-Q375 PolarHBondContact O-N 3.14Å; L372-Q375 WeakPolarHBondContact O-CB 3.32Å; L372-Q375 PolarHBondContact O-N 3.31Å; L372-Q375 VanDerWaalsContact O-N 3.11Å; Q375-A378 WeakPolarHBondContact O-CB 3.37Å; Q375-A378 PolarHBondContact O-N 2.91Å; Q375-R379 WeakPolarHBondContact O-CB 3.25Å; Q375-R379 PolarHBondContact O-N 2.97Å; Q375-V387 HydrophobicContact CG-CB 4.46Å; Q375-Y389 HydrophobicContact CG-CE1 4.12Å; Q375-Y389 PolarHBondContact OE1-OH 3.04Å; Q375-Y389 VanDerWaalsContact OE1-OH 3.12Å; Q375-T394 HydrophobicContact CG-CG2 3.83Å
376	D	89.2	Confident	90.1	Very high	84 Å²	84	65.2 Å²	65.2	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-41.7	173.2	-82.3	-22.7	0	0	0	111.6	L372 D373 A378 R379 I380	L372-D376 PolarHBondContact O-N 3.06Å; D373-D376 PolarHBondContact O-N 3.17Å; D376-A378 VanDerWaalsContact C-N 3.31Å; D376-A378 PolarHBondContact O-N 3.41Å; D376-R379 PolarHBondContact O-N 3.38Å; D376-I380 PolarHBondContact O-N 3.33Å
377	S	90.8	Very high	90.4	Very high	60 Å²	60	58.1 Å²	58.1	42%	0.42	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-40	170.9	-61.3	0	0	0	0	112.1	D373 L374 R379 I380 K381	D373-S377 PolarHBondContact O-N 3.04Å; D373-S377 VanDerWaalsContact O-N 3.11Å; D373-S377 PolarHBondContact O-OG 2.79Å; L374-S377 WeakPolarHBondContact O-CB 3.27Å; L374-S377 PolarHBondContact O-N 3.15Å; S377-R379 VanDerWaalsContact C-N 3.32Å; S377-R379 PolarHBondContact O-N 3.15Å; S377-I380 PolarHBondContact O-N 3.1Å; S377-K381 PolarHBondContact O-N 3.08Å
378	A	90.5	Very high	90.4	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-40	178.3	0	0	0	0	0	112.2	L346 L350 L374 Q375 D376 I380 K381 L382	L346-A378 HydrophobicContact CD1-CB 3.86Å; L346-A378 HydrophobicContact CD2-CB 4.22Å; L346-A378 HydrophobicContact CG-CB 4.31Å; L350-A378 HydrophobicContact CD1-CB 3.93Å; L350-A378 HydrophobicContact CD2-CB 3.72Å; L350-A378 HydrophobicContact CG-CB 4.21Å; L374-A378 WeakPolarHBondContact O-CB 3.48Å; L374-A378 PolarHBondContact O-N 2.73Å; Q375-A378 WeakPolarHBondContact O-CB 3.37Å; Q375-A378 PolarHBondContact O-N 2.91Å; D376-A378 VanDerWaalsContact C-N 3.31Å; D376-A378 PolarHBondContact O-N 3.41Å; A378-I380 PolarHBondContact O-N 2.89Å; A378-K381 PolarHBondContact O-N 3.27Å; A378-L382 WeakPolarHBondContact O-CA 3.39Å; A378-L382 PolarHBondContact O-N 2.95Å
379	R	85.5	Confident	90	Very high	88 Å²	88	58.1 Å²	58.1	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-26.5	-179.8	-177.1	167.1	161.7	-114.8	-18.1	113.3	Q375 D376 S377 P383 K396	Q375-R379 WeakPolarHBondContact O-CB 3.25Å; Q375-R379 PolarHBondContact O-N 2.97Å; D376-R379 PolarHBondContact O-N 3.38Å; S377-R379 VanDerWaalsContact C-N 3.32Å; S377-R379 PolarHBondContact O-N 3.15Å; R379-P383 WeakPolarHBondContact O-CA 3.25Å; R379-K396 VanDerWaalsContact NE-CE 3.35Å; R379-K396 VanDerWaalsContact NH1-CE 3.35Å; R379-K396 VanDerWaalsContact NH2-CD 3.33Å; R379-K396 VanDerWaalsContact NH2-CE 3.33Å
380	I	86.8	Confident	89.2	Confident	143 Å²	143	53.7 Å²	53.7	73%	0.733	28%	0.281	S	S	*	.	H	α-helix	trans	-76.3	-46.7	173.1	-61.5	169.7	0	0	0	110.2	D376 S377 A378	D376-I380 PolarHBondContact O-N 3.33Å; S377-I380 PolarHBondContact O-N 3.1Å; A378-I380 PolarHBondContact O-N 2.89Å
381	K	88.7	Confident	88	Confident	143 Å²	143	57.4 Å²	57.4	62%	0.622	30%	0.295	S	S	*	.	H	α-helix	trans	-74.8	-36.9	-175.7	-70.1	-176.2	176.1	-178.3	0	113.6	L350 S377 A378	L350-K381 HydrophobicContact CD2-CB 4.11Å; L350-K381 HydrophobicContact CD2-CD 4.25Å; S377-K381 PolarHBondContact O-N 3.08Å; A378-K381 PolarHBondContact O-N 3.27Å
382	L	87.8	Confident	86.6	Confident	32 Å²	32	61.1 Å²	61.1	17%	0.168	32%	0.318	C	S	.	.			trans	-129.2	74	-175.7	-62	175.1	0	0	0	109.3	I349 L350 A378 N384 L385	I349-L382 HydrophobicContact CG2-CD1 3.6Å; L350-L382 HydrophobicContact CD2-CD1 3.94Å; L350-L382 HydrophobicContact CD2-CG 4.3Å; A378-L382 WeakPolarHBondContact O-CA 3.39Å; A378-L382 PolarHBondContact O-N 2.95Å; L382-N384 PolarHBondContact O-N 2.81Å; L382-N384 VanDerWaalsContact O-N 3.07Å; L382-L385 HydrophobicContact CB-CB 3.84Å; L382-L385 HydrophobicContact CB-CD2 4.38Å; L382-L385 HydrophobicContact CD1-CD2 4.02Å; L382-L385 WeakPolarHBondContact O-CB 3.23Å; L382-L385 PolarHBondContact O-N 3.01Å
383	P	84.6	Confident	85.1	Confident	97 Å²	97	60.6 Å²	60.6	63%	0.63	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.5	-172.4	25.4	-35.5	0	0	0	114.5	R379	R379-P383 WeakPolarHBondContact O-CA 3.25Å
384	N	86.5	Confident	83.6	Confident	75 Å²	75	57.9 Å²	57.9	40%	0.401	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.8	176.5	-58.8	-53.1	0	0	0	113.2	L358 L382 C386	L358-N384 HydrophobicContact CD2-CB 4.07Å; L382-N384 PolarHBondContact O-N 2.81Å; L382-N384 VanDerWaalsContact O-N 3.07Å; N384-C386 PolarHBondContact O-N 3.02Å
385	L	89.9	Confident	81.7	Confident	14 Å²	14	59.1 Å²	59.1	7%	0.073	31%	0.31	C	S	.	.			trans	-78.4	117.9	178.5	177	64.2	0	0	0	109.8	L346 I349 L357 L360 L382 V387	L346-L385 HydrophobicContact CD1-CD2 4.08Å; I349-L385 HydrophobicContact CG2-CD2 4.04Å; L357-L385 HydrophobicContact CB-CD1 4.23Å; L357-L385 HydrophobicContact CD2-CD1 3.93Å; L357-L385 HydrophobicContact CG-CD1 4.02Å; L360-L385 HydrophobicContact CB-CD1 4.3Å; L382-L385 HydrophobicContact CB-CB 3.84Å; L382-L385 HydrophobicContact CB-CD2 4.38Å; L382-L385 HydrophobicContact CD1-CD2 4.02Å; L382-L385 WeakPolarHBondContact O-CB 3.23Å; L382-L385 PolarHBondContact O-N 3.01Å; L385-V387 HydrophobicContact CD2-CG2 4.03Å; L385-V387 HydrophobicContact CG-CG2 3.94Å
386	C	90.6	Very high	79.6	Confident	16 Å²	16	64.4 Å²	64.4	11%	0.108	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.1	166.9	177.3	0	0	0	0	109.9	L358 E359 L360 N384 T394 D395	L358-C386 PolarHBondContact O-N 2.87Å; E359-C386 CarbonylContact C-O 3.57Å; E359-C386 WeakPolarHBondContact CA-O 3.44Å; L360-C386 PolarHBondContact N-O 3.4Å; N384-C386 PolarHBondContact O-N 3.02Å; C386-T394 WeakPolarHBondContact CA-OG1 3.38Å; C386-D395 PolarHBondContact SG-OD1 2.81Å
387	V	91.8	Very high	77.4	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.4	172.9	-170.2	0	0	0	0	108.7	L346 L360 V362 F371 Q375 L385 Y389 T394	L346-V387 HydrophobicContact CD1-CG2 4.4Å; L360-V387 HydrophobicContact CB-CG1 4.44Å; L360-V387 HydrophobicContact CB-CG2 4.44Å; L360-V387 HydrophobicContact CD2-CG1 4.07Å; L360-V387 HydrophobicContact CG-CG1 4.29Å; L360-V387 CarbonylContact O-C 3.56Å; L360-V387 WeakPolarHBondContact O-CA 3.45Å; V362-V387 HydrophobicContact CG2-CG1 4.46Å; F371-V387 HydrophobicContact CZ-CG1 4.01Å; Q375-V387 HydrophobicContact CG-CB 4.46Å; L385-V387 HydrophobicContact CD2-CG2 4.03Å; L385-V387 HydrophobicContact CG-CG2 3.94Å; V387-Y389 HydrophobicContact CG1-CD1 4.05Å; V387-T394 HydrophobicContact CB-CG2 4.17Å; V387-T394 PolarHBondContact N-OG1 2.97Å; V387-T394 WeakPolarHBondContact O-CG2 3.49Å; V387-T394 PolarHBondContact O-N 3.04Å; V387-T394 PolarHBondContact O-OG1 2.69Å
388	R	90.4	Very high	74.9	Confident	63 Å²	63	74.1 Å²	74.1	24%	0.238	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.7	172.7	-52.7	177.2	-177.8	-82.7	-19.6	108.5	E359 L360 V362 Q363 D395	E359-R388 IonicContact OE1-CZ 3.87Å; E359-R388 IonicContact OE1-NE 3.4Å; E359-R388 PolarHBondContact OE1-NE 3.49Å; E359-R388 IonicContact OE1-NH2 3.11Å; L360-R388 PolarHBondContact O-N 3.33Å; V362-R388 CarbonylContact C-O 3.53Å; V362-R388 VanDerWaalsContact C-O 3.28Å; V362-R388 WeakPolarHBondContact CA-O 3.43Å; V362-R388 WeakPolarHBondContact CG2-O 3.43Å; V362-R388 PolarHBondContact N-O 3.28Å; Q363-R388 HydrophobicContact CG-CB 3.61Å; Q363-R388 PolarHBondContact N-O 2.74Å; R388-D395 IonicContact CZ-OD2 2.92Å; R388-D395 IonicContact NH1-OD2 3.61Å; R388-D395 PolarHBondContact NH1-OD2 3.41Å; R388-D395 IonicContact NH2-OD2 2.91Å; R388-D395 PolarHBondContact NH2-OD2 3.43Å
389	Y	85.6	Confident	72.2	Confident	31 Å²	31	78.9 Å²	78.9	12%	0.122	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.1	-177.7	57.1	-95.4	0	0	0	111	V367 F371 L372 Q375 V387 Q391 T392 T394	V367-Y389 HydrophobicContact CG2-CD2 3.74Å; V367-Y389 HydrophobicContact CG2-CE2 4.38Å; V367-Y389 HydrophobicContact CG2-CG 4.32Å; F371-Y389 AromaticContact CE1-CD1 3.81Å; F371-Y389 HydrophobicContact CE1-CD1 3.81Å; F371-Y389 HydrophobicContact CE1-CE1 4.33Å; F371-Y389 AromaticContact CE1-CG 3.88Å; F371-Y389 HydrophobicContact CE1-CG 3.88Å; L372-Y389 HydrophobicContact CD2-CD2 4.38Å; L372-Y389 HydrophobicContact CD2-CE2 3.5Å; L372-Y389 VanDerWaalsContact CD2-CE2 3.5Å; L372-Y389 WeakPolarHBondContact CD2-OH 3.45Å; Q375-Y389 HydrophobicContact CG-CE1 4.12Å; Q375-Y389 PolarHBondContact OE1-OH 3.04Å; Q375-Y389 VanDerWaalsContact OE1-OH 3.12Å; V387-Y389 HydrophobicContact CG1-CD1 4.05Å; Y389-Q391 PolarHBondContact O-N 3.11Å; Y389-T392 HydrophobicContact CE2-CG2 4.37Å; Y389-T392 PolarHBondContact N-O 3.19Å; Y389-T392 CarbonylContact O-C 3.49Å; Y389-T392 WeakPolarHBondContact O-CA 2.97Å; Y389-T392 PolarHBondContact O-N 3.02Å; Y389-T394 HydrophobicContact CE1-CG2 3.89Å
390	G	74.2	Confident	69.6	Low	21 Å²	21	77.9 Å²	77.9	22%	0.216	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.4	-128.5	-171.2	0	0	0	0	0	111.4	D364 I365	D364-G390 PolarHBondContact N-O 2.84Å; I365-G390 PolarHBondContact O-N 3.22Å
391	Q	70.2	Confident	67	Low	169 Å²	169	73.6 Å²	73.6	79%	0.79	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	11.5	170.9	-65.2	-66.8	-16.3	0	0	112.6	Y389	Y389-Q391 PolarHBondContact O-N 3.11Å
392	T	64	Low	64.4	Low	78 Å²	78	73.8 Å²	73.8	48%	0.479	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	154.9	-171.1	-50.8	0	0	0	0	110.9	Y389	Y389-T392 HydrophobicContact CE2-CG2 4.37Å; Y389-T392 PolarHBondContact N-O 3.19Å; Y389-T392 CarbonylContact O-C 3.49Å; Y389-T392 WeakPolarHBondContact O-CA 2.97Å; Y389-T392 PolarHBondContact O-N 3.02Å
393	T	61.6	Low	61.8	Low	37 Å²	37	83.2 Å²	83.2	23%	0.227	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.8	175.2	175.7	0	0	0	0	109.4	D395 V399	T393-D395 HydrophobicContact CG2-CB 3.82Å; T393-D395 PolarHBondContact O-N 3.4Å; T393-D395 VanDerWaalsContact OG1-CB 3.3Å; T393-D395 WeakPolarHBondContact OG1-CB 3.09Å; T393-D395 VanDerWaalsContact OG1-CG 3.26Å; T393-D395 PolarHBondContact OG1-N 2.87Å; T393-D395 PolarHBondContact OG1-OD2 3.27Å; T393-D395 VanDerWaalsContact OG1-OD2 3.04Å; T393-V399 HydrophobicContact CG2-CG2 4.19Å
394	T	61.3	Low	59.6	Low	22 Å²	22	82 Å²	82	14%	0.135	41%	0.408	C	S	.	.			trans	-78.9	7.9	168.5	66.1	0	0	0	0	112.8	Q375 C386 V387 Y389 K396	Q375-T394 HydrophobicContact CG-CG2 3.83Å; C386-T394 WeakPolarHBondContact CA-OG1 3.38Å; V387-T394 HydrophobicContact CB-CG2 4.17Å; V387-T394 PolarHBondContact N-OG1 2.97Å; V387-T394 WeakPolarHBondContact O-CG2 3.49Å; V387-T394 PolarHBondContact O-N 3.04Å; V387-T394 PolarHBondContact O-OG1 2.69Å; Y389-T394 HydrophobicContact CE1-CG2 3.89Å; T394-K396 VanDerWaalsContact C-N 3.32Å; T394-K396 WeakPolarHBondContact O-CG 3.37Å; T394-K396 PolarHBondContact O-N 3.26Å
395	D	54.7	Low	57.3	Low	48 Å²	48	86.4 Å²	86.4	26%	0.257	42%	0.424	S	S	.	.			trans	-59	87	176.4	-84.5	-42.3	0	0	0	111.6	C386 R388 T393 I397 R398 V399	C386-D395 PolarHBondContact SG-OD1 2.81Å; R388-D395 IonicContact CZ-OD2 2.92Å; R388-D395 IonicContact NH1-OD2 3.61Å; R388-D395 PolarHBondContact NH1-OD2 3.41Å; R388-D395 IonicContact NH2-OD2 2.91Å; R388-D395 PolarHBondContact NH2-OD2 3.43Å; T393-D395 HydrophobicContact CG2-CB 3.82Å; T393-D395 PolarHBondContact O-N 3.4Å; T393-D395 VanDerWaalsContact OG1-CB 3.3Å; T393-D395 WeakPolarHBondContact OG1-CB 3.09Å; T393-D395 VanDerWaalsContact OG1-CG 3.26Å; T393-D395 PolarHBondContact OG1-N 2.87Å; T393-D395 PolarHBondContact OG1-OD2 3.27Å; T393-D395 VanDerWaalsContact OG1-OD2 3.04Å; D395-I397 PolarHBondContact O-N 3.46Å; D395-I397 VanDerWaalsContact O-N 3.11Å; D395-R398 PolarHBondContact O-N 3.27Å; D395-V399 PolarHBondContact O-N 2.83Å
396	K	47.7	Very low	55.1	Low	126 Å²	126	96.1 Å²	96.1	55%	0.548	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	4.8	174.3	-64.9	-155.7	171.8	-153	0	114.2	R379 T394	R379-K396 VanDerWaalsContact NE-CE 3.35Å; R379-K396 VanDerWaalsContact NH1-CE 3.35Å; R379-K396 VanDerWaalsContact NH2-CD 3.33Å; R379-K396 VanDerWaalsContact NH2-CE 3.33Å; T394-K396 VanDerWaalsContact C-N 3.32Å; T394-K396 WeakPolarHBondContact O-CG 3.37Å; T394-K396 PolarHBondContact O-N 3.26Å
397	I	41.5	Very low	53.1	Low	121 Å²	121	98.5 Å²	98.5	62%	0.621	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-1.5	178.8	-61.5	179.8	0	0	0	112.7	D395	D395-I397 PolarHBondContact O-N 3.46Å; D395-I397 VanDerWaalsContact O-N 3.11Å
398	R	39.1	Very low	51.4	Low	226 Å²	226	106.2 Å²	106.2	85%	0.853	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	-8.6	170.9	-74	-169.6	-177.1	-169.1	2.4	117.2	D395	D395-R398 PolarHBondContact O-N 3.27Å
399	V	32.6	Very low	50.1	Low	104 Å²	104	109.4 Å²	109.4	63%	0.63	53%	0.525	S	S	*	.			trans	-105.8	68.9	165.3	-168.8	0	0	0	0	108.5	T393 D395 S401	T393-V399 HydrophobicContact CG2-CG2 4.19Å; D395-V399 PolarHBondContact O-N 2.83Å; V399-S401 PolarHBondContact O-N 3.44Å
400	L	31.2	Very low	49.6	Very low	67 Å²	67	110.2 Å²	110.2	35%	0.351	54%	0.535	S	S	.	.			trans	-58.7	124.7	152.9	-75.1	-173.7	0	0	0	105.9	F404	L400-F404 HydrophobicContact CB-CB 3.43Å; L400-F404 VanDerWaalsContact CB-CB 3.43Å; L400-F404 HydrophobicContact CB-CG 4.32Å; L400-F404 HydrophobicContact CD1-CB 3.95Å; L400-F404 HydrophobicContact CD1-CD1 4.17Å; L400-F404 WeakPolarHBondContact CD1-O 3.28Å; L400-F404 HydrophobicContact CD2-CB 3.53Å; L400-F404 HydrophobicContact CD2-CD1 3.18Å; L400-F404 HydrophobicContact CD2-CD2 4.29Å; L400-F404 HydrophobicContact CD2-CE1 3.8Å; L400-F404 HydrophobicContact CD2-CG 3.45Å; L400-F404 VanDerWaalsContact CD2-CG 3.45Å; L400-F404 HydrophobicContact CG-CB 3.74Å; L400-F404 HydrophobicContact CG-CD1 4.14Å; L400-F404 HydrophobicContact CG-CG 4.23Å
401	S	33.5	Very low	49.4	Very low	52 Å²	52	112.6 Å²	112.6	36%	0.364	55%	0.547	S	S	.	.			trans	-40.9	151.6	164.1	69.1	0	0	0	0	109.3	V399 R403 F404	V399-S401 PolarHBondContact O-N 3.44Å; S401-R403 PolarHBondContact O-N 3.42Å; S401-R403 PolarHBondContact OG-N 2.92Å; S401-F404 PolarHBondContact O-N 2.76Å; S401-F404 PolarHBondContact OG-N 3.16Å
402	P	32.8	Very low	49.7	Very low	147 Å²	147	112 Å²	112	96%	0.955	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-9	173.6	-23.4	31.7	0	0	0	114.2
403	R	34.7	Very low	50.2	Low	230 Å²	230	112.1 Å²	112.1	87%	0.868	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-4.1	175.9	-64.7	-176.3	174.2	175.4	-2.1	115.1	S401	S401-R403 PolarHBondContact O-N 3.42Å; S401-R403 PolarHBondContact OG-N 2.92Å
404	F	38.8	Very low	50.8	Low	71 Å²	71	110.9 Å²	110.9	31%	0.311	53%	0.528	S	S	.	.			trans	-95.5	103.6	177	-120	-92	0	0	0	109.3	L400 S401 L458	L400-F404 HydrophobicContact CB-CB 3.43Å; L400-F404 VanDerWaalsContact CB-CB 3.43Å; L400-F404 HydrophobicContact CB-CG 4.32Å; L400-F404 HydrophobicContact CD1-CB 3.95Å; L400-F404 HydrophobicContact CD1-CD1 4.17Å; L400-F404 WeakPolarHBondContact CD1-O 3.28Å; L400-F404 HydrophobicContact CD2-CB 3.53Å; L400-F404 HydrophobicContact CD2-CD1 3.18Å; L400-F404 HydrophobicContact CD2-CD2 4.29Å; L400-F404 HydrophobicContact CD2-CE1 3.8Å; L400-F404 HydrophobicContact CD2-CG 3.45Å; L400-F404 VanDerWaalsContact CD2-CG 3.45Å; L400-F404 HydrophobicContact CG-CB 3.74Å; L400-F404 HydrophobicContact CG-CD1 4.14Å; L400-F404 HydrophobicContact CG-CG 4.23Å; S401-F404 PolarHBondContact O-N 2.76Å; S401-F404 PolarHBondContact OG-N 3.16Å; F404-L458 HydrophobicContact CE1-CD1 3.63Å; F404-L458 HydrophobicContact CE1-CD2 3.47Å; F404-L458 VanDerWaalsContact CE1-CD2 3.47Å; F404-L458 HydrophobicContact CE1-CG 4.15Å; F404-L458 HydrophobicContact CZ-CB 4.49Å; F404-L458 HydrophobicContact CZ-CD1 3.73Å; F404-L458 HydrophobicContact CZ-CD2 3.64Å; F404-L458 HydrophobicContact CZ-CG 4.14Å
405	K	37.9	Very low	51.4	Low	169 Å²	169	110.6 Å²	110.6	74%	0.735	53%	0.526	S	S	*	.			trans	-63.3	140.6	161.6	-75.6	-179.1	173.2	-175.3	0	108.2	S407	K405-S407 PolarHBondContact O-N 3.25Å
406	R	42.5	Very low	52.4	Low	218 Å²	218	111.8 Å²	111.8	82%	0.823	53%	0.532	S	S	*	.			trans	-46.9	136.2	162.3	-84.6	-178.9	175.6	167.3	-0.3	107.2	E408	R406-E408 PolarHBondContact O-N 3.37Å
407	S	48.7	Very low	53.8	Low	66 Å²	66	108.2 Å²	108.2	46%	0.462	52%	0.518	S	S	.	.			trans	-48.9	113.5	163.5	163.4	0	0	0	0	107.4	K405 Y409	K405-S407 PolarHBondContact O-N 3.25Å; S407-Y409 PolarHBondContact O-N 2.98Å; S407-Y409 WeakPolarHBondContact OG-CB 3.49Å; S407-Y409 PolarHBondContact OG-N 3.34Å; S407-Y409 PolarHBondContact OG-O 3.46Å; S407-Y409 VanDerWaalsContact OG-O 3.07Å
408	E	57	Low	55.2	Low	165 Å²	165	103 Å²	103	77%	0.771	49%	0.491	S	S	*	.	S	Bend	trans	-63.5	-15.3	171.6	-70.9	178.5	-178	0	0	110.5	R406	R406-E408 PolarHBondContact O-N 3.37Å
409	Y	62.6	Low	57	Low	130 Å²	130	92.9 Å²	92.9	51%	0.51	46%	0.457	S	S	.	.	S	Bend	trans	-77.5	123	177.5	-52.1	-65.3	0	0	0	112.4	S407 E413 I417	S407-Y409 PolarHBondContact O-N 2.98Å; S407-Y409 WeakPolarHBondContact OG-CB 3.49Å; S407-Y409 PolarHBondContact OG-N 3.34Å; S407-Y409 PolarHBondContact OG-O 3.46Å; S407-Y409 VanDerWaalsContact OG-O 3.07Å; Y409-E413 VanDerWaalsContact CA-OE2 3.31Å; Y409-E413 WeakPolarHBondContact CA-OE2 3.46Å; Y409-E413 HydrophobicContact CD1-CB 3.9Å; Y409-E413 HydrophobicContact CD1-CG 4.46Å; Y409-E413 HydrophobicContact CG-CB 4.21Å; Y409-I417 HydrophobicContact CD1-CD1 3.83Å; Y409-I417 HydrophobicContact CD2-CD1 3.93Å; Y409-I417 HydrophobicContact CE1-CD1 3.97Å; Y409-I417 HydrophobicContact CE2-CD1 4.06Å; Y409-I417 HydrophobicContact CG-CD1 3.81Å
410	S	75.1	Confident	59.2	Low	48 Å²	48	97.4 Å²	97.4	34%	0.336	46%	0.463	S	S	.	.			trans	-58	159.5	163.4	65.3	0	0	0	0	111.9	K412 E413 I414	S410-K412 PolarHBondContact O-N 3.2Å; S410-E413 VanDerWaalsContact CB-OE2 3.28Å; S410-E413 WeakPolarHBondContact CB-OE2 3.27Å; S410-E413 PolarHBondContact N-OE2 3.04Å; S410-E413 PolarHBondContact O-N 3.19Å; S410-E413 WeakPolarHBondContact OG-CG 3.44Å; S410-E413 PolarHBondContact OG-N 2.81Å; S410-E413 PolarHBondContact OG-OE2 3.39Å; S410-I414 PolarHBondContact O-N 3.36Å
411	P	70.7	Confident	61.3	Low	71 Å²	71	97.8 Å²	97.8	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-50.9	-33.5	173.7	-29.9	36.7	0	0	0	114.1	L415 L450	P411-L415 WeakPolarHBondContact O-CG 3.42Å; P411-L415 PolarHBondContact O-N 3.42Å; P411-L450 HydrophobicContact CB-CD1 4.01Å; P411-L450 HydrophobicContact CB-CD2 3.87Å
412	K	75.2	Confident	63.3	Low	156 Å²	156	97.8 Å²	97.8	68%	0.678	47%	0.469	S	S	*	.	H	α-helix	trans	-66.2	-45	175	-176.2	-178.1	177.6	-176.4	0	111.6	S410 L415 I416	S410-K412 PolarHBondContact O-N 3.2Å; K412-L415 PolarHBondContact O-N 2.67Å; K412-I416 HydrophobicContact CG-CD1 4.01Å; K412-I416 VanDerWaalsContact O-CG1 3.27Å; K412-I416 WeakPolarHBondContact O-CG1 3.3Å; K412-I416 PolarHBondContact O-N 2.82Å
413	E	75	Confident	65.6	Low	80 Å²	80	100.3 Å²	100.3	37%	0.374	46%	0.464	S	S	.	.	H	α-helix	trans	-67.7	-39.6	179.4	-74	160.7	135.9	0	0	111.8	Y409 S410 L415 I416 I417	Y409-E413 VanDerWaalsContact CA-OE2 3.31Å; Y409-E413 WeakPolarHBondContact CA-OE2 3.46Å; Y409-E413 HydrophobicContact CD1-CB 3.9Å; Y409-E413 HydrophobicContact CD1-CG 4.46Å; Y409-E413 HydrophobicContact CG-CB 4.21Å; S410-E413 VanDerWaalsContact CB-OE2 3.28Å; S410-E413 WeakPolarHBondContact CB-OE2 3.27Å; S410-E413 PolarHBondContact N-OE2 3.04Å; S410-E413 PolarHBondContact O-N 3.19Å; S410-E413 WeakPolarHBondContact OG-CG 3.44Å; S410-E413 PolarHBondContact OG-N 2.81Å; S410-E413 PolarHBondContact OG-OE2 3.39Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 2.76Å; E413-I416 PolarHBondContact O-N 3.47Å; E413-I417 WeakPolarHBondContact O-CG1 3.39Å; E413-I417 PolarHBondContact O-N 2.93Å
414	I	73.8	Confident	67.7	Low	11 Å²	11	93.8 Å²	93.8	6%	0.056	44%	0.444	C	S	.	.	H	α-helix	trans	-56.3	-47.3	173.4	-66.3	163.8	0	0	0	110.3	S410 I416 I417 M418 L450 C453 V454 L457	S410-I414 PolarHBondContact O-N 3.36Å; I414-I416 PolarHBondContact O-N 3.17Å; I414-I417 PolarHBondContact O-N 3.42Å; I414-M418 WeakPolarHBondContact O-CB 3.21Å; I414-M418 PolarHBondContact O-N 2.68Å; I414-L450 HydrophobicContact CB-CD2 4.49Å; I414-L450 HydrophobicContact CD1-CD2 4.08Å; I414-L450 HydrophobicContact CG2-CD2 4.23Å; I414-C453 HydrophobicContact CG2-CB 4.14Å; I414-V454 HydrophobicContact CD1-CG2 3.6Å; I414-V454 HydrophobicContact CG1-CG2 4.41Å; I414-V454 HydrophobicContact CG2-CG2 4.11Å; I414-L457 HydrophobicContact CB-CD1 4.22Å; I414-L457 HydrophobicContact CG1-CD1 4.45Å; I414-L457 HydrophobicContact CG2-CD1 3.58Å
415	L	74.3	Confident	69.7	Low	16 Å²	16	93 Å²	93	8%	0.084	45%	0.448	C	S	.	.	H	α-helix	trans	-65.8	-36.9	178.4	-72.5	167.5	0	0	0	112.7	P411 K412 E413 M418 G419 L426 F446	P411-L415 WeakPolarHBondContact O-CG 3.42Å; P411-L415 PolarHBondContact O-N 3.42Å; K412-L415 PolarHBondContact O-N 2.67Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 2.76Å; L415-M418 PolarHBondContact O-N 3.42Å; L415-G419 PolarHBondContact O-N 2.82Å; L415-L426 HydrophobicContact CB-CD1 3.79Å; L415-L426 HydrophobicContact CD1-CD1 4.19Å; L415-L426 HydrophobicContact CD2-CD1 4.27Å; L415-L426 HydrophobicContact CG-CD1 4.31Å; L415-F446 HydrophobicContact CD1-CE2 3.92Å; L415-F446 HydrophobicContact CD1-CZ 3.83Å
416	I	75.5	Confident	71.4	Confident	74 Å²	74	89.3 Å²	89.3	38%	0.379	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-46.5	175.5	-70.1	165.6	0	0	0	111.1	K412 E413 I414 M418 G419 R420	K412-I416 HydrophobicContact CG-CD1 4.01Å; K412-I416 VanDerWaalsContact O-CG1 3.27Å; K412-I416 WeakPolarHBondContact O-CG1 3.3Å; K412-I416 PolarHBondContact O-N 2.82Å; E413-I416 PolarHBondContact O-N 3.47Å; I414-I416 PolarHBondContact O-N 3.17Å; I416-M418 VanDerWaalsContact C-N 3.28Å; I416-M418 PolarHBondContact O-N 3.36Å; I416-G419 PolarHBondContact O-N 3.24Å; I416-R420 WeakPolarHBondContact O-CG 3.28Å; I416-R420 PolarHBondContact O-N 3.3Å
417	I	77.2	Confident	73	Confident	50 Å²	50	82 Å²	82	26%	0.256	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-43.5	177.7	-65.2	163.6	0	0	0	109.4	Y409 E413 I414 R420 S421 L457	Y409-I417 HydrophobicContact CD1-CD1 3.83Å; Y409-I417 HydrophobicContact CD2-CD1 3.93Å; Y409-I417 HydrophobicContact CE1-CD1 3.97Å; Y409-I417 HydrophobicContact CE2-CD1 4.06Å; Y409-I417 HydrophobicContact CG-CD1 3.81Å; E413-I417 WeakPolarHBondContact O-CG1 3.39Å; E413-I417 PolarHBondContact O-N 2.93Å; I414-I417 PolarHBondContact O-N 3.42Å; I417-R420 PolarHBondContact O-N 3.42Å; I417-S421 PolarHBondContact O-N 2.85Å; I417-S421 PolarHBondContact O-OG 2.98Å; I417-L457 HydrophobicContact CB-CD2 4.31Å; I417-L457 HydrophobicContact CG2-CD1 4.49Å; I417-L457 HydrophobicContact CG2-CD2 3.5Å
418	M	71.1	Confident	74.4	Confident	13 Å²	13	81.7 Å²	81.7	6%	0.064	41%	0.414	C	S	.	.	H	α-helix	trans	-60	-50.8	177	-176.3	157.8	-68.6	0	0	112.1	I414 L415 I416 R420 S421 T422 L429 C453 F456 L457	I414-M418 WeakPolarHBondContact O-CB 3.21Å; I414-M418 PolarHBondContact O-N 2.68Å; L415-M418 PolarHBondContact O-N 3.42Å; I416-M418 VanDerWaalsContact C-N 3.28Å; I416-M418 PolarHBondContact O-N 3.36Å; M418-R420 PolarHBondContact O-N 2.91Å; M418-S421 WeakPolarHBondContact CA-OG 3.33Å; M418-S421 PolarHBondContact O-N 3.12Å; M418-S421 PolarHBondContact O-OG 3.41Å; M418-T422 HydrophobicContact CG-CG2 4.22Å; M418-T422 PolarHBondContact O-N 3.4Å; M418-T422 PolarHBondContact O-OG1 2.94Å; M418-L429 HydrophobicContact CB-CD1 4.43Å; M418-L429 HydrophobicContact CG-CD1 3.98Å; M418-L429 HydrophobicContact CG-CD2 3.73Å; M418-L429 HydrophobicContact CG-CG 4.48Å; M418-L429 HydrophobicContact SD-CD2 3.53Å; M418-L429 VanDerWaalsContact SD-CD2 3.53Å; M418-C453 HydrophobicContact CE-CB 3.32Å; M418-C453 VanDerWaalsContact CE-SG 3.58Å; M418-C453 HydrophobicContact SD-CB 3.87Å; M418-C453 PolarHBondContact SD-SG 3.12Å; M418-F456 HydrophobicContact CE-CB 4.35Å; M418-L457 HydrophobicContact CE-CG 4.37Å
419	G	76.8	Confident	75.2	Confident	12 Å²	12	74.9 Å²	74.9	12%	0.124	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-36.7	178	0	0	0	0	0	113.1	L415 I416 K423 Q424 L429	L415-G419 PolarHBondContact O-N 2.82Å; I416-G419 PolarHBondContact O-N 3.24Å; G419-K423 WeakPolarHBondContact O-CA 3.1Å; G419-K423 PolarHBondContact O-N 2.9Å; G419-Q424 CarbonylContact C-O 3.4Å; G419-Q424 VanDerWaalsContact CA-O 3.22Å; G419-Q424 WeakPolarHBondContact CA-O 3.43Å; G419-Q424 PolarHBondContact O-N 3.06Å; G419-Q424 VanDerWaalsContact O-N 3.12Å; G419-L429 VanDerWaalsContact CA-CD1 3.45Å
420	R	79.4	Confident	75.9	Confident	200 Å²	200	70.9 Å²	70.9	76%	0.755	37%	0.37	S	S	*	.	H	α-helix	trans	-65.5	-44.9	172.6	-71	176.4	177.3	177	-0.5	112.2	I416 I417 M418	I416-R420 WeakPolarHBondContact O-CG 3.28Å; I416-R420 PolarHBondContact O-N 3.3Å; I417-R420 PolarHBondContact O-N 3.42Å; M418-R420 PolarHBondContact O-N 2.91Å
421	S	74.6	Confident	76.1	Confident	74 Å²	74	76.6 Å²	76.6	52%	0.517	39%	0.385	S	S	.	.	H	α-helix	trans	-68.5	-35.6	-178.7	70	0	0	0	0	113.4	I417 M418	I417-S421 PolarHBondContact O-N 2.85Å; I417-S421 PolarHBondContact O-OG 2.98Å; M418-S421 WeakPolarHBondContact CA-OG 3.33Å; M418-S421 PolarHBondContact O-N 3.12Å; M418-S421 PolarHBondContact O-OG 3.41Å
422	T	75.8	Confident	76.3	Confident	53 Å²	53	77.9 Å²	77.9	33%	0.325	39%	0.393	S	S	.	.	H	α-helix	trans	-94.3	-4	-178	60.3	0	0	0	0	113.3	M418 Q424	M418-T422 HydrophobicContact CG-CG2 4.22Å; M418-T422 PolarHBondContact O-N 3.4Å; M418-T422 PolarHBondContact O-OG1 2.94Å; T422-Q424 PolarHBondContact O-N 3.02Å
423	K	81.8	Confident	76.1	Confident	199 Å²	199	71.5 Å²	71.5	87%	0.865	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	31.7	-171.7	-58.2	-178.3	179.1	178.9	0	113.1	G419	G419-K423 WeakPolarHBondContact O-CA 3.1Å; G419-K423 PolarHBondContact O-N 2.9Å
424	Q	77.5	Confident	76.2	Confident	94 Å²	94	69.3 Å²	69.3	44%	0.439	36%	0.357	S	S	.	.			trans	-109	143.4	178	-71.3	-179.3	-10.2	0	0	110.1	G419 T422 D428 L429	G419-Q424 CarbonylContact C-O 3.4Å; G419-Q424 VanDerWaalsContact CA-O 3.22Å; G419-Q424 WeakPolarHBondContact CA-O 3.43Å; G419-Q424 PolarHBondContact O-N 3.06Å; G419-Q424 VanDerWaalsContact O-N 3.12Å; T422-Q424 PolarHBondContact O-N 3.02Å; Q424-D428 HydrophobicContact CB-CB 4.12Å; Q424-L429 HydrophobicContact CB-CD1 4.17Å; Q424-L429 HydrophobicContact CB-CG 4.41Å
425	S	81.6	Confident	76.2	Confident	55 Å²	55	75.8 Å²	75.8	39%	0.385	39%	0.39	S	S	.	.			trans	-67.5	159	169.1	76.2	0	0	0	0	110.1	A427 D428 L429	S425-A427 PolarHBondContact O-N 3.24Å; S425-A427 PolarHBondContact OG-N 3.13Å; S425-D428 VanDerWaalsContact CB-OD2 3.31Å; S425-D428 WeakPolarHBondContact CB-OD2 3.47Å; S425-D428 PolarHBondContact N-OD2 3.22Å; S425-D428 VanDerWaalsContact N-OD2 3.17Å; S425-D428 PolarHBondContact O-N 2.89Å; S425-D428 PolarHBondContact OG-N 3.4Å; S425-D428 VanDerWaalsContact OG-N 3.1Å; S425-D428 PolarHBondContact OG-OD2 3.09Å; S425-L429 PolarHBondContact O-N 3.33Å
426	L	72.7	Confident	76.3	Confident	91 Å²	91	78.5 Å²	78.5	48%	0.476	42%	0.415	S	S	.	.	H	α-helix	trans	-57.2	-35.8	173.7	-176.7	63	0	0	0	111.4	L415 D428 L429 L430	L415-L426 HydrophobicContact CB-CD1 3.79Å; L415-L426 HydrophobicContact CD1-CD1 4.19Å; L415-L426 HydrophobicContact CD2-CD1 4.27Å; L415-L426 HydrophobicContact CG-CD1 4.31Å; L426-D428 VanDerWaalsContact C-N 3.35Å; L426-L429 PolarHBondContact O-N 3.32Å; L426-L430 HydrophobicContact CD1-CD1 3.98Å; L426-L430 HydrophobicContact CD1-CG 4.18Å; L426-L430 HydrophobicContact CG-CD1 3.87Å; L426-L430 HydrophobicContact CG-CG 4.41Å; L426-L430 WeakPolarHBondContact O-CB 3.13Å; L426-L430 VanDerWaalsContact O-CG 3.24Å; L426-L430 WeakPolarHBondContact O-CG 3.39Å; L426-L430 PolarHBondContact O-N 3Å
427	A	76.4	Confident	76.5	Confident	65 Å²	65	78 Å²	78	54%	0.537	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-39.7	176	0	0	0	0	0	111.7	S425 L430 R431	S425-A427 PolarHBondContact O-N 3.24Å; S425-A427 PolarHBondContact OG-N 3.13Å; A427-L430 PolarHBondContact O-N 3.19Å; A427-R431 WeakPolarHBondContact O-CB 3.34Å; A427-R431 PolarHBondContact O-N 3.41Å
428	D	79	Confident	76.8	Confident	58 Å²	58	79.6 Å²	79.6	31%	0.31	44%	0.437	S	S	.	.	H	α-helix	trans	-69.5	-37.8	177.5	-57.9	-39.6	0	0	0	112.1	Q424 S425 L426 L430 R431 P432	Q424-D428 HydrophobicContact CB-CB 4.12Å; S425-D428 VanDerWaalsContact CB-OD2 3.31Å; S425-D428 WeakPolarHBondContact CB-OD2 3.47Å; S425-D428 PolarHBondContact N-OD2 3.22Å; S425-D428 VanDerWaalsContact N-OD2 3.17Å; S425-D428 PolarHBondContact O-N 2.89Å; S425-D428 PolarHBondContact OG-N 3.4Å; S425-D428 VanDerWaalsContact OG-N 3.1Å; S425-D428 PolarHBondContact OG-OD2 3.09Å; L426-D428 VanDerWaalsContact C-N 3.35Å; D428-L430 VanDerWaalsContact C-N 3.32Å; D428-L430 PolarHBondContact O-N 3.11Å; D428-R431 PolarHBondContact O-N 3.33Å; D428-R431 IonicContact OD1-CZ 2.65Å; D428-R431 IonicContact OD1-NE 2.81Å; D428-R431 IonicContact OD1-NH2 2.72Å; D428-R431 PolarHBondContact OD1-NH2 3.35Å; D428-P432 WeakPolarHBondContact O-CD 3.46Å
429	L	74.1	Confident	77.2	Confident	23 Å²	23	88.2 Å²	88.2	12%	0.12	47%	0.474	C	S	.	.	H	α-helix	trans	-64.4	-36	175.9	-108.8	143.6	0	0	0	112.9	M418 G419 Q424 S425 L426	M418-L429 HydrophobicContact CB-CD1 4.43Å; M418-L429 HydrophobicContact CG-CD1 3.98Å; M418-L429 HydrophobicContact CG-CD2 3.73Å; M418-L429 HydrophobicContact CG-CG 4.48Å; M418-L429 HydrophobicContact SD-CD2 3.53Å; M418-L429 VanDerWaalsContact SD-CD2 3.53Å; G419-L429 VanDerWaalsContact CA-CD1 3.45Å; Q424-L429 HydrophobicContact CB-CD1 4.17Å; Q424-L429 HydrophobicContact CB-CG 4.41Å; S425-L429 PolarHBondContact O-N 3.33Å; L426-L429 PolarHBondContact O-N 3.32Å
430	L	75.8	Confident	77.1	Confident	45 Å²	45	93 Å²	93	24%	0.236	50%	0.496	C	S	.	.	H	α-helix	trans	-91.6	-16.3	-178.3	-62.2	176	0	0	0	113.2	L426 A427 D428 P432 L433 D434 F446	L426-L430 HydrophobicContact CD1-CD1 3.98Å; L426-L430 HydrophobicContact CD1-CG 4.18Å; L426-L430 HydrophobicContact CG-CD1 3.87Å; L426-L430 HydrophobicContact CG-CG 4.41Å; L426-L430 WeakPolarHBondContact O-CB 3.13Å; L426-L430 VanDerWaalsContact O-CG 3.24Å; L426-L430 WeakPolarHBondContact O-CG 3.39Å; L426-L430 PolarHBondContact O-N 3Å; A427-L430 PolarHBondContact O-N 3.19Å; D428-L430 VanDerWaalsContact C-N 3.32Å; D428-L430 PolarHBondContact O-N 3.11Å; L430-P432 VanDerWaalsContact C-CD 3.45Å; L430-L433 HydrophobicContact CD2-CD1 3.59Å; L430-L433 WeakPolarHBondContact O-CA 3.47Å; L430-L433 WeakPolarHBondContact O-CB 3.49Å; L430-L433 WeakPolarHBondContact O-CG 3.32Å; L430-L433 PolarHBondContact O-N 3.06Å; L430-D434 PolarHBondContact O-N 2.84Å; L430-F446 HydrophobicContact CD2-CE2 4.35Å
431	R	78.8	Confident	76.8	Confident	169 Å²	169	85.6 Å²	85.6	64%	0.638	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-54.2	-42.3	-179.1	-161.1	-176.1	-61.7	-177.1	-1.7	113.7	A427 D428 L433 D434	A427-R431 WeakPolarHBondContact O-CB 3.34Å; A427-R431 PolarHBondContact O-N 3.41Å; D428-R431 PolarHBondContact O-N 3.33Å; D428-R431 IonicContact OD1-CZ 2.65Å; D428-R431 IonicContact OD1-NE 2.81Å; D428-R431 IonicContact OD1-NH2 2.72Å; D428-R431 PolarHBondContact OD1-NH2 3.35Å; R431-L433 PolarHBondContact O-N 3.16Å; R431-L433 VanDerWaalsContact O-N 3.15Å; R431-D434 PolarHBondContact O-N 3.41Å
432	P	75.1	Confident	76.9	Confident	98 Å²	98	86 Å²	86	64%	0.636	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-68	-12	177.5	-18.1	32.6	0	0	0	113.6	D428 L430	D428-P432 WeakPolarHBondContact O-CD 3.46Å; L430-P432 VanDerWaalsContact C-CD 3.45Å
433	L	71.2	Confident	76.8	Confident	21 Å²	21	93 Å²	93	11%	0.11	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-94.7	-18.1	-175.7	-41.5	-174.2	0	0	0	112.1	L430 R431 I435 V441 V445 I449	L430-L433 HydrophobicContact CD2-CD1 3.59Å; L430-L433 WeakPolarHBondContact O-CA 3.47Å; L430-L433 WeakPolarHBondContact O-CB 3.49Å; L430-L433 WeakPolarHBondContact O-CG 3.32Å; L430-L433 PolarHBondContact O-N 3.06Å; R431-L433 PolarHBondContact O-N 3.16Å; R431-L433 VanDerWaalsContact O-N 3.15Å; L433-I435 PolarHBondContact O-N 3.11Å; L433-V441 HydrophobicContact CB-CG1 4.04Å; L433-V441 HydrophobicContact CB-CG2 3.85Å; L433-V445 HydrophobicContact CB-CG1 4.21Å; L433-I449 HydrophobicContact CB-CD1 4.46Å; L433-I449 HydrophobicContact CD1-CB 4.47Å; L433-I449 HydrophobicContact CD1-CD1 3.61Å; L433-I449 HydrophobicContact CD1-CG2 4.25Å; L433-I449 HydrophobicContact CD2-CD1 3.06Å; L433-I449 HydrophobicContact CD2-CG1 4.01Å; L433-I449 HydrophobicContact CG-CD1 3.81Å
434	D	77.4	Confident	76	Confident	34 Å²	34	89.1 Å²	89.1	18%	0.182	48%	0.478	C	S	.	.			trans	-81.9	64.6	171.9	-174.5	18.4	0	0	0	109.7	L430 R431 A436 G437 N438 K439	L430-D434 PolarHBondContact O-N 2.84Å; R431-D434 PolarHBondContact O-N 3.41Å; D434-A436 PolarHBondContact O-N 3.42Å; D434-A436 VanDerWaalsContact O-N 3.1Å; D434-G437 PolarHBondContact O-N 3.17Å; D434-G437 WeakPolarHBondContact OD1-CA 3.42Å; D434-G437 PolarHBondContact OD1-N 3.41Å; D434-G437 VanDerWaalsContact OD2-C 3.23Å; D434-G437 VanDerWaalsContact OD2-CA 3.31Å; D434-G437 WeakPolarHBondContact OD2-CA 3.23Å; D434-N438 PolarHBondContact OD1-N 3.08Å; D434-N438 PolarHBondContact OD1-OD1 3.25Å; D434-N438 PolarHBondContact OD2-N 3.31Å; D434-K439 PolarHBondContact OD1-N 2.9Å; D434-K439 VanDerWaalsContact OD2-CA 3.25Å; D434-K439 WeakPolarHBondContact OD2-CA 3.14Å; D434-K439 PolarHBondContact OD2-N 3.35Å
435	I	73.5	Confident	75.6	Confident	148 Å²	148	86.5 Å²	86.5	76%	0.759	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.8	-177.6	-58.6	171.7	0	0	0	111	L433	L433-I435 PolarHBondContact O-N 3.11Å
436	A	77.9	Confident	75.3	Confident	73 Å²	73	87.1 Å²	87.1	60%	0.603	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.8	-179.2	0	0	0	0	0	114.1	D434 N438	D434-A436 PolarHBondContact O-N 3.42Å; D434-A436 VanDerWaalsContact O-N 3.1Å; A436-N438 HydrophobicContact CB-CB 4.43Å; A436-N438 PolarHBondContact O-N 3.39Å; A436-N438 VanDerWaalsContact O-N 3.14Å
437	G	78.8	Confident	75.1	Confident	63 Å²	63	85.5 Å²	85.5	65%	0.649	46%	0.458	S	S	*	.	S	Bend	trans	62.3	16.1	-176.6	0	0	0	0	0	114.5	D434	D434-G437 PolarHBondContact O-N 3.17Å; D434-G437 WeakPolarHBondContact OD1-CA 3.42Å; D434-G437 PolarHBondContact OD1-N 3.41Å; D434-G437 VanDerWaalsContact OD2-C 3.23Å; D434-G437 VanDerWaalsContact OD2-CA 3.31Å; D434-G437 WeakPolarHBondContact OD2-CA 3.23Å
438	N	84.2	Confident	74.5	Confident	84 Å²	84	87.3 Å²	87.3	45%	0.449	45%	0.454	S	S	.	.	S	Bend	trans	-101.7	7.4	-174	66.5	2.1	0	0	0	112.6	D434 A436 I440	D434-N438 PolarHBondContact OD1-N 3.08Å; D434-N438 PolarHBondContact OD1-OD1 3.25Å; D434-N438 PolarHBondContact OD2-N 3.31Å; A436-N438 HydrophobicContact CB-CB 4.43Å; A436-N438 PolarHBondContact O-N 3.39Å; A436-N438 VanDerWaalsContact O-N 3.14Å; N438-I440 PolarHBondContact O-N 2.96Å; N438-I440 VanDerWaalsContact OD1-CB 3.31Å; N438-I440 WeakPolarHBondContact OD1-CB 3.38Å; N438-I440 PolarHBondContact OD1-N 3.48Å
439	K	78	Confident	73.9	Confident	194 Å²	194	86.6 Å²	86.6	84%	0.843	45%	0.449	S	S	*	.	S	Bend	trans	62.8	26.3	-176.6	-53.1	176.6	-179.3	175.8	0	113.2	D434	D434-K439 PolarHBondContact OD1-N 2.9Å; D434-K439 VanDerWaalsContact OD2-CA 3.25Å; D434-K439 WeakPolarHBondContact OD2-CA 3.14Å; D434-K439 PolarHBondContact OD2-N 3.35Å
440	I	75.9	Confident	73.7	Confident	112 Å²	112	86.5 Å²	86.5	57%	0.574	45%	0.448	S	S	*	.			trans	-119.9	125.1	179.5	-56.3	172.5	0	0	0	109.9	N438	N438-I440 PolarHBondContact O-N 2.96Å; N438-I440 VanDerWaalsContact OD1-CB 3.31Å; N438-I440 WeakPolarHBondContact OD1-CB 3.38Å; N438-I440 PolarHBondContact OD1-N 3.48Å
441	V	71.8	Confident	73.1	Confident	45 Å²	45	87.5 Å²	87.5	27%	0.273	45%	0.454	S	S	.	.			trans	-112.7	126.2	173.6	-175.3	0	0	0	0	108.8	L433 V445 F446	L433-V441 HydrophobicContact CB-CG1 4.04Å; L433-V441 HydrophobicContact CB-CG2 3.85Å; V441-V445 HydrophobicContact CG1-CB 3.98Å; V441-V445 HydrophobicContact CG1-CG1 3.8Å; V441-F446 HydrophobicContact CG1-CB 4.03Å
442	T	77.1	Confident	72.4	Confident	83 Å²	83	84 Å²	84	51%	0.509	45%	0.451	S	S	.	.			trans	-68.9	149.7	177	66.8	0	0	0	0	110.7	Q444 V445 F446	T442-Q444 PolarHBondContact O-N 2.9Å; T442-Q444 VanDerWaalsContact O-N 3.13Å; T442-V445 PolarHBondContact O-N 3.46Å; T442-V445 VanDerWaalsContact O-N 3.11Å; T442-V445 VanDerWaalsContact OG1-CG2 3.29Å; T442-V445 WeakPolarHBondContact OG1-CG2 3.39Å; T442-V445 PolarHBondContact OG1-N 2.95Å; T442-F446 WeakPolarHBondContact O-CB 3.4Å; T442-F446 PolarHBondContact O-N 2.84Å
443	R	73.4	Confident	71.9	Confident	200 Å²	200	79.6 Å²	79.6	76%	0.755	42%	0.423	S	S	*	.	H	α-helix	trans	-51.8	-38.1	175.8	-178.2	176.6	176	-99.6	2	112.1	F446 V447	R443-F446 PolarHBondContact O-N 3.37Å; R443-V447 HydrophobicContact CG-CG2 4.27Å; R443-V447 WeakPolarHBondContact O-CB 3.35Å; R443-V447 WeakPolarHBondContact O-CG2 3.18Å; R443-V447 PolarHBondContact O-N 3.5Å
444	Q	65.7	Low	71.6	Confident	117 Å²	117	80.6 Å²	80.6	55%	0.547	43%	0.43	S	S	.	.	H	α-helix	trans	-65.8	-44.7	-179.3	-160.6	70.7	5.3	0	0	112.3	T442 K448	T442-Q444 PolarHBondContact O-N 2.9Å; T442-Q444 VanDerWaalsContact O-N 3.13Å; Q444-K448 WeakPolarHBondContact O-CG 3.37Å; Q444-K448 PolarHBondContact O-N 3.38Å
445	V	69.2	Low	70.8	Confident	39 Å²	39	84.4 Å²	84.4	24%	0.236	45%	0.445	C	S	.	.	H	α-helix	trans	-64.9	-49.8	175.7	172.8	0	0	0	0	109.2	L433 V441 T442 V447 K448 I449	L433-V445 HydrophobicContact CB-CG1 4.21Å; V441-V445 HydrophobicContact CG1-CB 3.98Å; V441-V445 HydrophobicContact CG1-CG1 3.8Å; T442-V445 PolarHBondContact O-N 3.46Å; T442-V445 VanDerWaalsContact O-N 3.11Å; T442-V445 VanDerWaalsContact OG1-CG2 3.29Å; T442-V445 WeakPolarHBondContact OG1-CG2 3.39Å; T442-V445 PolarHBondContact OG1-N 2.95Å; V445-V447 VanDerWaalsContact C-N 3.34Å; V445-V447 PolarHBondContact O-N 2.91Å; V445-K448 WeakPolarHBondContact O-CB 3.39Å; V445-K448 PolarHBondContact O-N 2.88Å; V445-K448 VanDerWaalsContact O-N 3.15Å; V445-I449 HydrophobicContact CG1-CD1 3.76Å; V445-I449 WeakPolarHBondContact O-CD1 3.26Å; V445-I449 PolarHBondContact O-N 3.37Å
446	F	74.7	Confident	70.2	Confident	67 Å²	67	82.1 Å²	82.1	29%	0.294	43%	0.43	S	S	.	.	H	α-helix	trans	-56.5	-43.8	-179.7	-171.6	-110.7	0	0	0	113.1	L415 L430 V441 T442 R443 I449 L450	L415-F446 HydrophobicContact CD1-CE2 3.92Å; L415-F446 HydrophobicContact CD1-CZ 3.83Å; L430-F446 HydrophobicContact CD2-CE2 4.35Å; V441-F446 HydrophobicContact CG1-CB 4.03Å; T442-F446 WeakPolarHBondContact O-CB 3.4Å; T442-F446 PolarHBondContact O-N 2.84Å; R443-F446 PolarHBondContact O-N 3.37Å; F446-I449 PolarHBondContact O-N 3.42Å; F446-L450 HydrophobicContact CD1-CD1 3.56Å; F446-L450 HydrophobicContact CE1-CD1 3.15Å; F446-L450 HydrophobicContact CE1-CG 4.46Å; F446-L450 HydrophobicContact CE2-CD1 4.33Å; F446-L450 HydrophobicContact CG-CD1 4.31Å; F446-L450 HydrophobicContact CZ-CD1 3.59Å; F446-L450 PolarHBondContact O-N 3.49Å
447	V	69.3	Low	69.3	Low	58 Å²	58	80.1 Å²	80.1	35%	0.352	41%	0.409	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177.6	169.5	0	0	0	0	112.2	R443 V445 I449 L450 N451	R443-V447 HydrophobicContact CG-CG2 4.27Å; R443-V447 WeakPolarHBondContact O-CB 3.35Å; R443-V447 WeakPolarHBondContact O-CG2 3.18Å; R443-V447 PolarHBondContact O-N 3.5Å; V445-V447 VanDerWaalsContact C-N 3.34Å; V445-V447 PolarHBondContact O-N 2.91Å; V447-I449 PolarHBondContact O-N 3.12Å; V447-L450 PolarHBondContact O-N 3.41Å; V447-N451 PolarHBondContact O-N 2.91Å; V447-N451 VanDerWaalsContact O-N 3.12Å; V447-N451 PolarHBondContact O-ND2 3.04Å
448	K	64.1	Low	68.2	Low	103 Å²	103	80.1 Å²	80.1	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-56	-42.4	176.1	-81.3	-178.9	176.5	-177.5	0	111.4	Q444 V445 V452	Q444-K448 WeakPolarHBondContact O-CG 3.37Å; Q444-K448 PolarHBondContact O-N 3.38Å; V445-K448 WeakPolarHBondContact O-CB 3.39Å; V445-K448 PolarHBondContact O-N 2.88Å; V445-K448 VanDerWaalsContact O-N 3.15Å; K448-V452 WeakPolarHBondContact O-CG2 3.48Å; K448-V452 PolarHBondContact O-N 3.45Å
449	I	66.4	Low	66.7	Low	43 Å²	43	83 Å²	83	22%	0.221	40%	0.402	C	S	.	.	H	α-helix	trans	-78.8	-39.5	-177.3	-72.1	136.4	0	0	0	112.1	L433 V445 F446 V447 N451 V452 C453	L433-I449 HydrophobicContact CB-CD1 4.46Å; L433-I449 HydrophobicContact CD1-CB 4.47Å; L433-I449 HydrophobicContact CD1-CD1 3.61Å; L433-I449 HydrophobicContact CD1-CG2 4.25Å; L433-I449 HydrophobicContact CD2-CD1 3.06Å; L433-I449 HydrophobicContact CD2-CG1 4.01Å; L433-I449 HydrophobicContact CG-CD1 3.81Å; V445-I449 HydrophobicContact CG1-CD1 3.76Å; V445-I449 WeakPolarHBondContact O-CD1 3.26Å; V445-I449 PolarHBondContact O-N 3.37Å; F446-I449 PolarHBondContact O-N 3.42Å; V447-I449 PolarHBondContact O-N 3.12Å; I449-N451 PolarHBondContact O-N 3.4Å; I449-V452 CarbonylContact O-C 3.52Å; I449-V452 WeakPolarHBondContact O-CA 3.48Å; I449-V452 WeakPolarHBondContact O-CB 3.21Å; I449-V452 PolarHBondContact O-N 3.36Å; I449-C453 VanDerWaalsContact CG2-SG 3.58Å; I449-C453 WeakPolarHBondContact O-CB 3.38Å; I449-C453 PolarHBondContact O-N 3.02Å; I449-C453 PolarHBondContact O-SG 3Å
450	L	69.2	Low	65.4	Low	20 Å²	20	80 Å²	80	11%	0.105	39%	0.389	C	S	.	.	H	α-helix	trans	-52.1	-40.3	170.7	-104.1	150.3	0	0	0	112.2	P411 I414 F446 V447 C453 V454	P411-L450 HydrophobicContact CB-CD1 4.01Å; P411-L450 HydrophobicContact CB-CD2 3.87Å; I414-L450 HydrophobicContact CB-CD2 4.49Å; I414-L450 HydrophobicContact CD1-CD2 4.08Å; I414-L450 HydrophobicContact CG2-CD2 4.23Å; F446-L450 HydrophobicContact CD1-CD1 3.56Å; F446-L450 HydrophobicContact CE1-CD1 3.15Å; F446-L450 HydrophobicContact CE1-CG 4.46Å; F446-L450 HydrophobicContact CE2-CD1 4.33Å; F446-L450 HydrophobicContact CG-CD1 4.31Å; F446-L450 HydrophobicContact CZ-CD1 3.59Å; F446-L450 PolarHBondContact O-N 3.49Å; V447-L450 PolarHBondContact O-N 3.41Å; L450-C453 PolarHBondContact O-N 3.45Å; L450-V454 WeakPolarHBondContact O-CB 3.37Å; L450-V454 VanDerWaalsContact O-CG2 3.22Å; L450-V454 WeakPolarHBondContact O-CG2 3.49Å; L450-V454 PolarHBondContact O-N 3.22Å
451	N	64.2	Low	63.9	Low	67 Å²	67	78.7 Å²	78.7	36%	0.358	39%	0.39	S	S	.	.	H	α-helix	trans	-66.2	-41.2	176	-69.9	-19.7	0	0	0	112.7	V447 I449 C453 F455	V447-N451 PolarHBondContact O-N 2.91Å; V447-N451 VanDerWaalsContact O-N 3.12Å; V447-N451 PolarHBondContact O-ND2 3.04Å; I449-N451 PolarHBondContact O-N 3.4Å; N451-C453 VanDerWaalsContact C-N 3.34Å; N451-F455 WeakPolarHBondContact O-CB 3.49Å; N451-F455 PolarHBondContact O-N 3.22Å; N451-F455 VanDerWaalsContact O-N 3.08Å
452	V	63.9	Low	62.3	Low	95 Å²	95	85 Å²	85	58%	0.576	41%	0.41	S	S	*	.	H	α-helix	trans	-63.9	-41	173.2	175.1	0	0	0	0	110.9	K448 I449 F455 F456	K448-V452 WeakPolarHBondContact O-CG2 3.48Å; K448-V452 PolarHBondContact O-N 3.45Å; I449-V452 CarbonylContact O-C 3.52Å; I449-V452 WeakPolarHBondContact O-CA 3.48Å; I449-V452 WeakPolarHBondContact O-CB 3.21Å; I449-V452 PolarHBondContact O-N 3.36Å; V452-F455 WeakPolarHBondContact O-CB 3.38Å; V452-F455 PolarHBondContact O-N 3.47Å; V452-F456 PolarHBondContact O-N 3.34Å
453	C	64.8	Low	60.2	Low	5 Å²	5	89.9 Å²	89.9	3%	0.034	44%	0.44	C	S	.	.	H	α-helix	trans	-65.9	-46.7	-178.4	-69.1	0	0	0	0	112.2	I414 M418 I449 L450 N451 F455 F456 L457	I414-C453 HydrophobicContact CG2-CB 4.14Å; M418-C453 HydrophobicContact CE-CB 3.32Å; M418-C453 VanDerWaalsContact CE-SG 3.58Å; M418-C453 HydrophobicContact SD-CB 3.87Å; M418-C453 PolarHBondContact SD-SG 3.12Å; I449-C453 VanDerWaalsContact CG2-SG 3.58Å; I449-C453 WeakPolarHBondContact O-CB 3.38Å; I449-C453 PolarHBondContact O-N 3.02Å; I449-C453 PolarHBondContact O-SG 3Å; L450-C453 PolarHBondContact O-N 3.45Å; N451-C453 VanDerWaalsContact C-N 3.34Å; C453-F455 VanDerWaalsContact C-N 3.29Å; C453-F455 PolarHBondContact O-N 2.99Å; C453-F456 PolarHBondContact O-N 2.84Å; C453-L457 WeakPolarHBondContact O-CG 3.39Å; C453-L457 PolarHBondContact O-N 2.87Å
454	V	64.9	Low	59.6	Low	43 Å²	43	84.4 Å²	84.4	26%	0.261	42%	0.424	S	S	.	.	H	α-helix	trans	-60.3	-42.3	173.8	169.6	0	0	0	0	110.3	I414 L450 F456 L457 L458	I414-V454 HydrophobicContact CD1-CG2 3.6Å; I414-V454 HydrophobicContact CG1-CG2 4.41Å; I414-V454 HydrophobicContact CG2-CG2 4.11Å; L450-V454 WeakPolarHBondContact O-CB 3.37Å; L450-V454 VanDerWaalsContact O-CG2 3.22Å; L450-V454 WeakPolarHBondContact O-CG2 3.49Å; L450-V454 PolarHBondContact O-N 3.22Å; V454-F456 VanDerWaalsContact C-N 3.33Å; V454-F456 PolarHBondContact O-N 3.32Å; V454-L457 PolarHBondContact O-N 3.27Å; V454-L458 HydrophobicContact CG1-CD1 3.67Å; V454-L458 HydrophobicContact CG1-CG 4.37Å; V454-L458 WeakPolarHBondContact O-CB 3.49Å; V454-L458 WeakPolarHBondContact O-CD1 3.42Å; V454-L458 WeakPolarHBondContact O-CG 2.94Å; V454-L458 PolarHBondContact O-N 3.35Å
455	F	59.8	Low	59.2	Low	114 Å²	114	82.7 Å²	82.7	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-41.1	176.1	-172.5	-95.4	0	0	0	112.4	N451 V452 C453 K459	N451-F455 WeakPolarHBondContact O-CB 3.49Å; N451-F455 PolarHBondContact O-N 3.22Å; N451-F455 VanDerWaalsContact O-N 3.08Å; V452-F455 WeakPolarHBondContact O-CB 3.38Å; V452-F455 PolarHBondContact O-N 3.47Å; C453-F455 VanDerWaalsContact C-N 3.29Å; C453-F455 PolarHBondContact O-N 2.99Å; F455-K459 HydrophobicContact CE1-CD 4.34Å; F455-K459 PolarHBondContact O-N 3.27Å
456	F	60.8	Low	58.7	Low	100 Å²	100	85.1 Å²	85.1	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-51.1	176.3	-151.6	-95.5	0	0	0	111.1	M418 V452 C453 V454 L458 K459 F460	M418-F456 HydrophobicContact CE-CB 4.35Å; V452-F456 PolarHBondContact O-N 3.34Å; C453-F456 PolarHBondContact O-N 2.84Å; V454-F456 VanDerWaalsContact C-N 3.33Å; V454-F456 PolarHBondContact O-N 3.32Å; F456-L458 VanDerWaalsContact C-N 3.3Å; F456-L458 PolarHBondContact O-N 3.29Å; F456-K459 WeakPolarHBondContact O-CB 3.47Å; F456-K459 PolarHBondContact O-N 2.66Å; F456-F460 AromaticContact CD1-CD2 3.67Å; F456-F460 HydrophobicContact CD1-CD2 3.67Å; F456-F460 AromaticContact CD1-CE2 3.58Å; F456-F460 HydrophobicContact CD1-CE2 3.58Å; F456-F460 HydrophobicContact CD2-CE2 4.39Å; F456-F460 AromaticContact CE1-CD2 3.66Å; F456-F460 HydrophobicContact CE1-CD2 3.66Å; F456-F460 AromaticContact CE1-CE2 3.13Å; F456-F460 HydrophobicContact CE1-CE2 3.13Å; F456-F460 AromaticContact CE1-CZ 3.92Å; F456-F460 HydrophobicContact CE1-CZ 3.92Å; F456-F460 HydrophobicContact CE2-CE2 4.03Å; F456-F460 HydrophobicContact CG-CD2 4.35Å; F456-F460 HydrophobicContact CG-CE2 4.2Å; F456-F460 HydrophobicContact CZ-CD2 4.32Å; F456-F460 AromaticContact CZ-CE2 3.39Å; F456-F460 HydrophobicContact CZ-CE2 3.39Å; F456-F460 AromaticContact CZ-CZ 3.99Å; F456-F460 HydrophobicContact CZ-CZ 3.99Å; F456-F460 WeakPolarHBondContact O-CD2 3.46Å; F456-F460 PolarHBondContact O-N 2.96Å
457	L	59.6	Low	57.8	Low	30 Å²	30	86.2 Å²	86.2	16%	0.157	44%	0.436	C	S	.	.	H	α-helix	trans	-57.1	-41.9	179.4	-72	173.7	0	0	0	112.6	I414 I417 M418 C453 V454 K459 F460 S461	I414-L457 HydrophobicContact CB-CD1 4.22Å; I414-L457 HydrophobicContact CG1-CD1 4.45Å; I414-L457 HydrophobicContact CG2-CD1 3.58Å; I417-L457 HydrophobicContact CB-CD2 4.31Å; I417-L457 HydrophobicContact CG2-CD1 4.49Å; I417-L457 HydrophobicContact CG2-CD2 3.5Å; M418-L457 HydrophobicContact CE-CG 4.37Å; C453-L457 WeakPolarHBondContact O-CG 3.39Å; C453-L457 PolarHBondContact O-N 2.87Å; V454-L457 PolarHBondContact O-N 3.27Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 3.4Å; L457-F460 PolarHBondContact O-N 3.28Å; L457-S461 PolarHBondContact O-N 3.2Å; L457-S461 VanDerWaalsContact O-N 3.11Å; L457-S461 PolarHBondContact O-OG 3.09Å
458	L	55.3	Low	57	Low	63 Å²	63	87.9 Å²	87.9	33%	0.33	44%	0.441	S	S	.	.	H	α-helix	trans	-68.6	-29.1	178.7	-68.6	167.9	0	0	0	112.7	F404 V454 F456 Y462	F404-L458 HydrophobicContact CE1-CD1 3.63Å; F404-L458 HydrophobicContact CE1-CD2 3.47Å; F404-L458 VanDerWaalsContact CE1-CD2 3.47Å; F404-L458 HydrophobicContact CE1-CG 4.15Å; F404-L458 HydrophobicContact CZ-CB 4.49Å; F404-L458 HydrophobicContact CZ-CD1 3.73Å; F404-L458 HydrophobicContact CZ-CD2 3.64Å; F404-L458 HydrophobicContact CZ-CG 4.14Å; V454-L458 HydrophobicContact CG1-CD1 3.67Å; V454-L458 HydrophobicContact CG1-CG 4.37Å; V454-L458 WeakPolarHBondContact O-CB 3.49Å; V454-L458 WeakPolarHBondContact O-CD1 3.42Å; V454-L458 WeakPolarHBondContact O-CG 2.94Å; V454-L458 PolarHBondContact O-N 3.35Å; F456-L458 VanDerWaalsContact C-N 3.3Å; F456-L458 PolarHBondContact O-N 3.29Å; L458-Y462 WeakPolarHBondContact O-CD2 3.1Å
459	K	52.7	Low	56.6	Low	145 Å²	145	86.9 Å²	86.9	63%	0.63	44%	0.44	S	S	*	.	H	α-helix	trans	-73.6	-29.9	177.3	-136.7	-178.3	-178.2	-170.2	0	112.7	F455 F456 L457	F455-K459 HydrophobicContact CE1-CD 4.34Å; F455-K459 PolarHBondContact O-N 3.27Å; F456-K459 WeakPolarHBondContact O-CB 3.47Å; F456-K459 PolarHBondContact O-N 2.66Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 3.4Å
460	F	50	Low	55.9	Low	130 Å²	130	90.1 Å²	90.1	57%	0.57	46%	0.456	S	S	*	.	H	α-helix	trans	-90.5	-13	178.4	-78.2	-84.8	0	0	0	114	F456 L457 Y462	F456-F460 AromaticContact CD1-CD2 3.67Å; F456-F460 HydrophobicContact CD1-CD2 3.67Å; F456-F460 AromaticContact CD1-CE2 3.58Å; F456-F460 HydrophobicContact CD1-CE2 3.58Å; F456-F460 HydrophobicContact CD2-CE2 4.39Å; F456-F460 AromaticContact CE1-CD2 3.66Å; F456-F460 HydrophobicContact CE1-CD2 3.66Å; F456-F460 AromaticContact CE1-CE2 3.13Å; F456-F460 HydrophobicContact CE1-CE2 3.13Å; F456-F460 AromaticContact CE1-CZ 3.92Å; F456-F460 HydrophobicContact CE1-CZ 3.92Å; F456-F460 HydrophobicContact CE2-CE2 4.03Å; F456-F460 HydrophobicContact CG-CD2 4.35Å; F456-F460 HydrophobicContact CG-CE2 4.2Å; F456-F460 HydrophobicContact CZ-CD2 4.32Å; F456-F460 AromaticContact CZ-CE2 3.39Å; F456-F460 HydrophobicContact CZ-CE2 3.39Å; F456-F460 AromaticContact CZ-CZ 3.99Å; F456-F460 HydrophobicContact CZ-CZ 3.99Å; F456-F460 WeakPolarHBondContact O-CD2 3.46Å; F456-F460 PolarHBondContact O-N 2.96Å; L457-F460 PolarHBondContact O-N 3.28Å; F460-Y462 PolarHBondContact O-N 2.87Å
461	S	46.2	Very low	54.8	Low	86 Å²	86	95.5 Å²	95.5	60%	0.601	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	0.5	176	-52.9	0	0	0	0	113.6	L457	L457-S461 PolarHBondContact O-N 3.2Å; L457-S461 VanDerWaalsContact O-N 3.11Å; L457-S461 PolarHBondContact O-OG 3.09Å
462	Y	37.3	Very low	54.1	Low	176 Å²	176	97.8 Å²	97.8	69%	0.69	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	16	-175.8	-88.6	-85.4	0	0	0	113.5	L458 F460	L458-Y462 WeakPolarHBondContact O-CD2 3.1Å; F460-Y462 PolarHBondContact O-N 2.87Å
463	V	33.5	Very low	53.2	Low	187 Å²	187	98.1 Å²	98.1	100%	1.133	49%	0.486	S	S	*	.			trans	-115.1	0	163.9	-174.5	0	0	0	0	106.9

Retrieved 463 of 463 residues in 611.8 ms (Link to these results)

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