A0A087Y7B4_POEFO Loading...

Prostaglandin E synthase 2

AlphaFold DB , UniProt , Accession A0A087Y7B4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 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	31.6	Very low	31.6	Very low	54 Å²	54	60.1 Å²	60.1	27%	0.266	33%	0.333	S	S	.	.				0	-27.7	0	-74.4	-158.8	-63	0	0	115.7	A3 A4 C5 H245 L294	M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.69Å; M1-A4 WeakPolarHBondContact O-CA 3.42Å; M1-A4 WeakPolarHBondContact O-CB 3.27Å; M1-A4 PolarHBondContact O-N 3.24Å; M1-C5 PolarHBondContact O-N 3.23Å; M1-C5 VanDerWaalsContact O-N 3.08Å; M1-H245 HydrophobicContact CE-CB 3.93Å; M1-H245 WeakPolarHBondContact CE-ND1 3.18Å; M1-H245 VanDerWaalsContact SD-CE1 3.55Å; M1-H245 PolarHBondContact SD-ND1 3.29Å; M1-L294 HydrophobicContact SD-CD1 4.47Å; M1-L294 HydrophobicContact SD-CD2 3.87Å
2	A	27.5	Very low	31.8	Very low	36 Å²	36	61 Å²	61	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-54.5	-44.3	174.5	0	0	0	0	0	113.4	A4 C5 S6	A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 2.77Å; A2-C5 PolarHBondContact O-N 2.9Å; A2-S6 PolarHBondContact O-N 3.23Å; A2-S6 VanDerWaalsContact O-N 3.14Å; A2-S6 PolarHBondContact O-OG 3.18Å; A2-S6 VanDerWaalsContact O-OG 3.11Å
3	A	28.1	Very low	31.5	Very low	23 Å²	23	60.4 Å²	60.4	19%	0.19	35%	0.349	C	S	.	.	H	α-helix	trans	-71.2	-13.4	175.2	0	0	0	0	0	114.9	M1 R7 K150	M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.69Å; A3-R7 WeakPolarHBondContact O-CG 3.38Å; A3-K150 HydrophobicContact CB-CG 4.19Å
4	A	30	Very low	31.3	Very low	48 Å²	48	69.4 Å²	69.4	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-87.9	-32.2	173.4	0	0	0	0	0	111.4	M1 A2 T8	M1-A4 WeakPolarHBondContact O-CA 3.42Å; M1-A4 WeakPolarHBondContact O-CB 3.27Å; M1-A4 PolarHBondContact O-N 3.24Å; A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 2.77Å; A4-T8 PolarHBondContact O-N 3.42Å; A4-T8 PolarHBondContact O-OG1 2.9Å
5	C	34.8	Very low	31.1	Very low	16 Å²	16	69.9 Å²	69.9	11%	0.108	39%	0.385	C	S	.	.	H	α-helix	trans	-67.7	-42.4	170.1	-78.3	0	0	0	0	112.2	M1 A2 R7 T8 L9 M287	M1-C5 PolarHBondContact O-N 3.23Å; M1-C5 VanDerWaalsContact O-N 3.08Å; A2-C5 PolarHBondContact O-N 2.9Å; C5-R7 VanDerWaalsContact C-N 3.31Å; C5-R7 PolarHBondContact O-N 2.62Å; C5-T8 PolarHBondContact O-N 3.48Å; C5-T8 VanDerWaalsContact O-N 3.14Å; C5-L9 PolarHBondContact O-N 2.93Å; C5-M287 HydrophobicContact CB-CE 4.42Å; C5-M287 HydrophobicContact CB-SD 3.83Å; C5-M287 VanDerWaalsContact SG-CE 3.57Å; C5-M287 PolarHBondContact SG-SD 2.95Å
6	S	33.3	Very low	31.3	Very low	20 Å²	20	75.9 Å²	75.9	14%	0.14	41%	0.407	C	S	.	.	H	α-helix	trans	-61.9	-35.9	176	-45.8	0	0	0	0	112.8	A2 C10	A2-S6 PolarHBondContact O-N 3.23Å; A2-S6 VanDerWaalsContact O-N 3.14Å; A2-S6 PolarHBondContact O-OG 3.18Å; A2-S6 VanDerWaalsContact O-OG 3.11Å; S6-C10 PolarHBondContact O-N 2.83Å; S6-C10 VanDerWaalsContact O-N 3.08Å
7	R	35.4	Very low	31.2	Very low	113 Å²	113	80.3 Å²	80.3	43%	0.426	43%	0.429	S	S	.	.	H	α-helix	trans	-69.3	-33.7	175.9	-72.7	-178.4	-152.9	-157.3	3.1	112.6	A3 C5 K11	A3-R7 WeakPolarHBondContact O-CG 3.38Å; C5-R7 VanDerWaalsContact C-N 3.31Å; C5-R7 PolarHBondContact O-N 2.62Å; R7-K11 PolarHBondContact O-N 2.84Å; R7-K11 VanDerWaalsContact O-N 3.15Å
8	T	33.5	Very low	31.2	Very low	61 Å²	61	84.6 Å²	84.6	37%	0.374	45%	0.446	S	S	.	.	H	α-helix	trans	-72.8	-40	176.9	-47.3	0	0	0	0	110.8	A4 C5 K11 V12 I290	A4-T8 PolarHBondContact O-N 3.42Å; A4-T8 PolarHBondContact O-OG1 2.9Å; C5-T8 PolarHBondContact O-N 3.48Å; C5-T8 VanDerWaalsContact O-N 3.14Å; T8-K11 PolarHBondContact O-N 3.28Å; T8-V12 HydrophobicContact CG2-CG2 4.38Å; T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.4Å; T8-V12 PolarHBondContact O-N 3.29Å; T8-I290 HydrophobicContact CG2-CD1 4.34Å
9	L	33.4	Very low	31	Very low	62 Å²	62	86.3 Å²	86.3	33%	0.325	46%	0.46	S	S	.	.	H	α-helix	trans	-61.7	-44	173.9	-75.5	164.2	0	0	0	112.5	C5 A13 A286	C5-L9 PolarHBondContact O-N 2.93Å; L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.25Å; L9-A13 PolarHBondContact O-N 3.05Å; L9-A286 HydrophobicContact CD2-CB 3.77Å
10	C	31.1	Very low	30.8	Very low	62 Å²	62	87.7 Å²	87.7	42%	0.419	47%	0.474	S	S	.	.	H	α-helix	trans	-65.7	-37.2	174.9	-85.4	0	0	0	0	113.5	S6 R14	S6-C10 PolarHBondContact O-N 2.83Å; S6-C10 VanDerWaalsContact O-N 3.08Å; C10-R14 PolarHBondContact O-N 2.85Å; C10-R14 VanDerWaalsContact O-N 3.14Å
11	K	29.5	Very low	30.9	Very low	166 Å²	166	88.8 Å²	88.8	72%	0.722	50%	0.495	S	S	*	.	H	α-helix	trans	-71.2	-39.3	179.2	-84.7	-172.1	174.2	-171.6	0	112.5	R7 T8 R14 S15	R7-K11 PolarHBondContact O-N 2.84Å; R7-K11 VanDerWaalsContact O-N 3.15Å; T8-K11 PolarHBondContact O-N 3.28Å; K11-R14 PolarHBondContact O-N 3.43Å; K11-S15 PolarHBondContact O-N 3.28Å
12	V	32.9	Very low	30.7	Very low	71 Å²	71	90.7 Å²	90.7	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-70	-40.4	177	175.6	0	0	0	0	110.6	T8 R14 S15 F16	T8-V12 HydrophobicContact CG2-CG2 4.38Å; T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.4Å; T8-V12 PolarHBondContact O-N 3.29Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.36Å; V12-S15 PolarHBondContact O-N 3.18Å; V12-S15 PolarHBondContact O-OG 2.98Å; V12-F16 HydrophobicContact CG1-CD2 3.91Å; V12-F16 HydrophobicContact CG1-CE2 3.68Å; V12-F16 WeakPolarHBondContact O-CD2 3.09Å; V12-F16 PolarHBondContact O-N 3.03Å
13	A	28	Very low	30.7	Very low	53 Å²	53	94 Å²	94	44%	0.438	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-35.2	175.1	0	0	0	0	0	113.1	L9 L17	L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.25Å; L9-A13 PolarHBondContact O-N 3.05Å; A13-L17 PolarHBondContact O-N 3.18Å
14	R	28.5	Very low	30.6	Very low	187 Å²	187	105 Å²	105	71%	0.706	58%	0.583	S	S	*	*	H	α-helix	trans	-70.6	-35.9	176.3	-122	176.7	179.7	166.9	-0.7	113	C10 K11 V12 F16 L17 E18	C10-R14 PolarHBondContact O-N 2.85Å; C10-R14 VanDerWaalsContact O-N 3.14Å; K11-R14 PolarHBondContact O-N 3.43Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.36Å; R14-F16 VanDerWaalsContact C-N 3.27Å; R14-F16 PolarHBondContact O-N 3.37Å; R14-L17 PolarHBondContact O-N 3.2Å; R14-E18 PolarHBondContact O-N 3.4Å
15	S	29.4	Very low	30.4	Very low	77 Å²	77	109.3 Å²	109.3	54%	0.538	61%	0.605	S	S	.	*	H	α-helix	trans	-72.4	-19.1	178.2	69.3	0	0	0	0	113.7	K11 V12	K11-S15 PolarHBondContact O-N 3.28Å; V12-S15 PolarHBondContact O-N 3.18Å; V12-S15 PolarHBondContact O-OG 2.98Å
16	F	33.1	Very low	29.9	Very low	166 Å²	166	112 Å²	112	73%	0.728	64%	0.635	S	S	*	*	H	α-helix	trans	-88.3	-12.7	173.7	-79.7	-69.5	0	0	0	113.7	V12 R14	V12-F16 HydrophobicContact CG1-CD2 3.91Å; V12-F16 HydrophobicContact CG1-CE2 3.68Å; V12-F16 WeakPolarHBondContact O-CD2 3.09Å; V12-F16 PolarHBondContact O-N 3.03Å; R14-F16 VanDerWaalsContact C-N 3.27Å; R14-F16 PolarHBondContact O-N 3.37Å
17	L	31.2	Very low	29.5	Very low	150 Å²	150	117.3 Å²	117.3	79%	0.785	67%	0.667	S	S	*	*	H	α-helix	trans	-103.5	-12.6	-178.3	-86.1	161.7	0	0	0	114	A13 R14	A13-L17 PolarHBondContact O-N 3.18Å; R14-L17 PolarHBondContact O-N 3.2Å
18	E	31.3	Very low	29.1	Very low	157 Å²	157	117.7 Å²	117.7	73%	0.734	68%	0.682	S	S	*	*			trans	-117.3	86.1	172.5	-74.6	178.5	-177.4	0	0	109.4	R14	R14-E18 PolarHBondContact O-N 3.4Å
19	T	27.1	Very low	28.7	Very low	117 Å²	117	119.4 Å²	119.4	72%	0.718	70%	0.696	S	S	*	*			trans	-127.3	118.1	155.9	-38.6	0	0	0	0	107.1
20	P	26.2	Very low	28.4	Very low	114 Å²	114	124.9 Å²	124.9	74%	0.74	72%	0.718	S	S	*	*			trans	-69.2	136.9	-179	28	-31.9	0	0	0	109.7	A22	P20-A22 PolarHBondContact O-N 2.73Å; P20-A22 VanDerWaalsContact O-N 3.14Å
21	A	32.3	Very low	28.2	Very low	111 Å²	111	130.6 Å²	130.6	92%	0.917	74%	0.743	S	S	*	*			trans	-61.4	113	171	0	0	0	0	0	109.4
22	A	28.7	Very low	28.1	Very low	95 Å²	95	130 Å²	130	79%	0.785	75%	0.747	S	S	*	*			trans	-113.2	125.1	168.5	0	0	0	0	0	109	P20	P20-A22 PolarHBondContact O-N 2.73Å; P20-A22 VanDerWaalsContact O-N 3.14Å
23	A	27	Very low	27.7	Very low	104 Å²	104	130.5 Å²	130.5	86%	0.86	77%	0.767	S	S	*	*			trans	-60.6	143.9	-174.3	0	0	0	0	0	113.3
24	R	25.6	Very low	27.7	Very low	254 Å²	254	135.2 Å²	135.2	96%	0.958	79%	0.785	S	S	*	*			trans	-93.6	134.8	167.5	-84.5	-176.5	170.9	178.8	-2.8	110.1
25	T	25.1	Very low	27.8	Very low	140 Å²	140	132.8 Å²	132.8	86%	0.859	79%	0.79	S	S	*	*			trans	-131.1	122.4	161.7	29.9	0	0	0	0	109.9
26	G	25.5	Very low	27.6	Very low	72 Å²	72	132.7 Å²	132.7	74%	0.742	80%	0.801	S	S	*	*			trans	66.9	152.2	150.5	0	0	0	0	0	118.5
27	T	25.6	Very low	27.5	Very low	132 Å²	132	129.2 Å²	129.2	81%	0.81	80%	0.803	S	S	*	*			cis	-172.6	139.9	-2.7	-46.7	0	0	0	0	102.5
28	V	25.8	Very low	27.4	Very low	121 Å²	121	131.6 Å²	131.6	73%	0.733	81%	0.81	S	S	*	*				162.8	134.2	94.2	165.1	0	0	0	0	109.4
29	S	25.5	Very low	27.2	Very low	96 Å²	96	127.2 Å²	127.2	67%	0.671	81%	0.807	S	S	*	*			trans	48.5	121.6	147.9	-57.8	0	0	0	0	122.9
30	F	26.1	Very low	27.4	Very low	178 Å²	178	130.5 Å²	130.5	78%	0.781	81%	0.811	S	S	*	*				67.3	111.4	70.6	-90	-81.2	0	0	0	114.5	L32	F30-L32 HydrophobicContact CD1-CD1 4.33Å; F30-L32 HydrophobicContact CE1-CD1 4.24Å
31	L	27.1	Very low	27.5	Very low	181 Å²	181	135.2 Å²	135.2	95%	0.948	81%	0.814	S	S	*	*			trans	-147.8	125.2	132.7	-91.3	178.2	0	0	0	109.9
32	L	27.3	Very low	27.4	Very low	153 Å²	153	141 Å²	141	80%	0.801	81%	0.812	S	S	*	*			trans	-82.1	151.6	172.2	-88.8	144.1	0	0	0	110.6	F30	F30-L32 HydrophobicContact CD1-CD1 4.33Å; F30-L32 HydrophobicContact CE1-CD1 4.24Å
33	G	25.8	Very low	27.4	Very low	82 Å²	82	139.7 Å²	139.7	85%	0.845	81%	0.808	S	S	*	*			trans	-168.7	119.5	163.7	0	0	0	0	0	110.2
34	N	27.3	Very low	27.6	Very low	153 Å²	153	142.2 Å²	142.2	82%	0.818	81%	0.807	S	S	*	*			trans	-118.3	174.3	-162	-166.7	18.2	0	0	0	111.1
35	V	30	Very low	27.8	Very low	136 Å²	136	134.3 Å²	134.3	82%	0.824	79%	0.79	S	S	*	*			trans	84.9	135.2	162.5	-163.2	0	0	0	0	115.7
36	G	26.8	Very low	28.1	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	79%	0.791	S	S	*	*			cis	-175	-171.8	11.3	0	0	0	0	0	112.7
37	A	29.7	Very low	28.2	Very low	93 Å²	93	134.3 Å²	134.3	77%	0.769	79%	0.79	S	S	*	*			trans	-102.2	-173.4	-155.8	0	0	0	0	0	116.9
38	H	28.8	Very low	28.3	Very low	200 Å²	200	131.6 Å²	131.6	93%	0.926	79%	0.788	S	S	*	*			trans	102.4	135.5	170.1	-65	-8.8	0	0	0	115
39	G	27.2	Very low	29.5	Very low	65 Å²	65	132.6 Å²	132.6	67%	0.67	80%	0.797	S	S	*	*			cis	145.6	137.3	2.9	0	0	0	0	0	110.6
40	F	31.1	Very low	29.7	Very low	186 Å²	186	131.4 Å²	131.4	82%	0.816	80%	0.8	S	S	*	*			trans	73.5	148.1	160.5	-88.3	-113.2	0	0	0	118.6
41	R	29.5	Very low	29.9	Very low	213 Å²	213	129.9 Å²	129.9	80%	0.804	80%	0.799	S	S	*	*			cis	-164.9	161.6	1.6	-149.9	-177.1	-162.9	-174.4	-0	110.9
42	R	30.2	Very low	30	Very low	232 Å²	232	131.6 Å²	131.6	88%	0.875	79%	0.793	S	S	*	*			trans	-42.6	161.9	170.8	-69.5	169	166.8	169.4	-4	120.5
43	G	28.5	Very low	30.1	Very low	68 Å²	68	128.4 Å²	128.4	70%	0.701	78%	0.783	S	S	*	*			trans	168.2	100	131.8	0	0	0	0	0	112.8
44	L	31.1	Very low	30.3	Very low	157 Å²	157	135 Å²	135	82%	0.822	78%	0.783	S	S	*	*				90.1	110.7	88.7	-125.9	82.2	0	0	0	113.8
45	S	28.7	Very low	30.4	Very low	88 Å²	88	134 Å²	134	62%	0.615	78%	0.777	S	S	*	*				85.6	146.3	110.7	60.7	0	0	0	0	113.5
46	T	32.8	Very low	30.4	Very low	144 Å²	144	133 Å²	133	88%	0.883	77%	0.771	S	S	*	*			cis	177.2	161.3	15	19.9	0	0	0	0	103.5
47	G	26.6	Very low	30.4	Very low	69 Å²	69	134.2 Å²	134.2	71%	0.711	77%	0.768	S	S	*	*			cis	-179.5	162.6	10.3	0	0	0	0	0	107.1
48	G	27.5	Very low	30.5	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	77%	0.771	S	S	*	*			trans	-75.6	-133.4	176.5	0	0	0	0	0	112.6
49	P	52.8	Low	30.4	Very low	141 Å²	141	132.4 Å²	132.4	92%	0.916	77%	0.766	S	S	*	*			cis	-142.3	-176	-19	38.3	-19.2	0	0	0	113.7
50	G	28.6	Very low	30.5	Very low	72 Å²	72	141.3 Å²	141.3	74%	0.742	78%	0.779	S	S	*	*			trans	118.8	152.1	148.7	0	0	0	0	0	115.9
51	L	30.5	Very low	30.5	Very low	146 Å²	146	137.1 Å²	137.1	76%	0.764	78%	0.778	S	S	*	*			cis	-178.9	149	-4.6	-173	67.8	0	0	0	108.2
52	R	30	Very low	30.4	Very low	217 Å²	217	130.5 Å²	130.5	82%	0.819	78%	0.777	S	S	*	*			trans	73.5	135.6	155	-85.4	159.1	-177.5	-154.8	-0.8	118
53	S	29.5	Very low	30.4	Very low	85 Å²	85	132 Å²	132	59%	0.594	78%	0.783	S	S	*	*			cis	111.6	151.9	22	87.1	0	0	0	0	111.7
54	R	30.1	Very low	30.4	Very low	222 Å²	222	132.4 Å²	132.4	84%	0.838	79%	0.786	S	S	*	*			trans	83.7	146.1	155.7	-79.2	-176.5	179.6	-161.3	2.9	115.4
55	L	28.6	Very low	30.4	Very low	132 Å²	132	136.3 Å²	136.3	69%	0.691	79%	0.79	S	S	*	*			cis	179.1	167.7	-7.3	-131.6	170.5	0	0	0	106.6
56	V	29.1	Very low	30.5	Very low	114 Å²	114	137.9 Å²	137.9	69%	0.691	80%	0.796	S	S	*	*			trans	74.5	122.9	153	-116.9	0	0	0	0	124.6
57	S	28.5	Very low	30.6	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	80%	0.796	S	S	*	*			trans	56.2	133.2	130.1	63.4	0	0	0	0	123
58	S	30	Very low	30.6	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	80%	0.797	S	S	*	*				-176.6	146.7	94.5	49.7	0	0	0	0	113.5
59	V	27.9	Very low	30.8	Very low	134 Å²	134	142.1 Å²	142.1	81%	0.812	80%	0.804	S	S	*	*			trans	-78.8	143	174.7	166.8	0	0	0	0	109.6
60	R	30.1	Very low	29.8	Very low	253 Å²	253	138.8 Å²	138.8	96%	0.955	79%	0.788	S	S	*	*			trans	-140.1	118.8	147.7	-125.2	176.9	-173.3	178.8	2.2	110.9
61	A	30.2	Very low	30	Very low	97 Å²	97	145.8 Å²	145.8	80%	0.802	80%	0.799	S	S	*	*			trans	-82.4	151.9	177.1	0	0	0	0	0	111.7
62	G	27.7	Very low	30.5	Very low	75 Å²	75	146.3 Å²	146.3	77%	0.773	80%	0.801	S	S	*	*			trans	-172.3	79.3	170	0	0	0	0	0	112.6
63	R	29.1	Very low	31.2	Very low	264 Å²	264	144.7 Å²	144.7	100%	0.996	81%	0.808	S	S	*	*			trans	25	129.6	134	-128.6	175.9	176.8	-171	-1.2	116.8
64	G	28.3	Very low	31.4	Very low	75 Å²	75	143.3 Å²	143.3	77%	0.773	81%	0.807	S	S	*	*			cis	-167.4	178.9	6.5	0	0	0	0	0	105.6
65	R	31.9	Very low	31.8	Very low	240 Å²	240	135.8 Å²	135.8	91%	0.906	80%	0.798	S	S	*	*			cis	-165.3	142.1	29	-114.2	-177.5	172.3	158.3	-3.1	106.2
66	V	31.9	Very low	32.4	Very low	120 Å²	120	132.1 Å²	132.1	73%	0.727	79%	0.793	S	S	*	*			trans	65.3	104.4	141	-173.2	0	0	0	0	118.2
67	L	33.3	Very low	33.3	Very low	171 Å²	171	133 Å²	133	90%	0.895	79%	0.793	S	S	*	*				174.6	110.9	102.1	-151.5	79.3	0	0	0	109.8
68	G	27.4	Very low	34.3	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	78%	0.781	S	S	*	*			trans	-149.4	145.1	162.3	0	0	0	0	0	105.1
69	C	31.7	Very low	35.3	Very low	135 Å²	135	130 Å²	130	91%	0.912	77%	0.769	S	S	*	*			cis	-149.4	175.4	14.9	-76.5	0	0	0	0	104.2
70	A	31.2	Very low	36.4	Very low	72 Å²	72	131.5 Å²	131.5	60%	0.595	76%	0.762	S	S	*	*			cis	-166.9	152.8	9.9	0	0	0	0	0	104.3
71	F	32.5	Very low	37.4	Very low	219 Å²	219	125.6 Å²	125.6	96%	0.961	75%	0.745	S	S	*	*			trans	-157	96	131.9	-91.2	-67.5	0	0	0	107.1
72	L	42.2	Very low	38.7	Very low	156 Å²	156	125.1 Å²	125.1	82%	0.817	73%	0.732	S	S	*	*			trans	-62	150.2	153.5	-73.2	159.1	0	0	0	107.8
73	L	43.2	Very low	40.1	Very low	184 Å²	184	126.2 Å²	126.2	96%	0.963	72%	0.72	S	S	*	*			trans	103	69	-179.8	-54	171.8	0	0	0	114.8
74	G	34.5	Very low	41.5	Very low	56 Å²	56	119.3 Å²	119.3	58%	0.577	70%	0.697	S	S	*	*			trans	-162.7	-0.3	168.3	0	0	0	0	0	116.7	G76	G74-G76 PolarHBondContact O-N 3.19Å
75	G	39.5	Very low	42.8	Very low	63 Å²	63	120.5 Å²	120.5	65%	0.649	69%	0.685	S	S	*	*	H	α-helix	trans	-73.3	-16	-168.2	0	0	0	0	0	116.5
76	G	40.8	Very low	43.9	Very low	56 Å²	56	111.4 Å²	111.4	58%	0.577	66%	0.658	S	S	*	*	H	α-helix	trans	-88.9	-40.8	-177.9	0	0	0	0	0	114.1	G74 Y80	G74-G76 PolarHBondContact O-N 3.19Å; G76-Y80 WeakPolarHBondContact O-CB 3.49Å; G76-Y80 PolarHBondContact O-N 3.13Å; G76-Y80 VanDerWaalsContact O-N 3.11Å
77	L	47.3	Very low	45.1	Very low	132 Å²	132	109.1 Å²	109.1	69%	0.691	64%	0.644	S	S	*	*	H	α-helix	trans	-73.4	-41.6	-176.3	-91	146.2	0	0	0	111.9	L79 Y80 Q81	L77-L79 VanDerWaalsContact C-N 3.32Å; L77-L79 PolarHBondContact O-N 3.32Å; L77-Y80 PolarHBondContact O-N 3.25Å; L77-Q81 WeakPolarHBondContact O-CB 3.26Å; L77-Q81 PolarHBondContact O-N 3.41Å
78	G	48.9	Very low	46	Very low	43 Å²	43	106.3 Å²	106.3	44%	0.443	63%	0.627	S	S	.	*	H	α-helix	trans	-63.2	-35.8	178.7	0	0	0	0	0	113.5	T82	G78-T82 PolarHBondContact O-N 3.13Å; G78-T82 VanDerWaalsContact O-N 3.1Å; G78-T82 PolarHBondContact O-OG1 3.38Å
79	L	51.5	Low	47.1	Very low	114 Å²	114	108.8 Å²	108.8	60%	0.597	62%	0.619	S	S	*	*	H	α-helix	trans	-74.9	-38.7	176.2	-114.5	134.9	0	0	0	112.2	L77 T82 L83	L77-L79 VanDerWaalsContact C-N 3.32Å; L77-L79 PolarHBondContact O-N 3.32Å; L79-T82 WeakPolarHBondContact CA-OG1 3.47Å; L79-T82 PolarHBondContact O-OG1 3.3Å; L79-T82 VanDerWaalsContact O-OG1 3.14Å; L79-L83 HydrophobicContact CD2-CD1 4.49Å; L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 PolarHBondContact O-N 2.88Å
80	Y	50.8	Low	48	Very low	166 Å²	166	107.9 Å²	107.9	65%	0.651	60%	0.601	S	S	*	*	H	α-helix	trans	-67.7	-36.5	174.9	-170.5	-99.7	0	0	0	112	G76 L77 K84	G76-Y80 WeakPolarHBondContact O-CB 3.49Å; G76-Y80 PolarHBondContact O-N 3.13Å; G76-Y80 VanDerWaalsContact O-N 3.11Å; L77-Y80 PolarHBondContact O-N 3.25Å; Y80-K84 VanDerWaalsContact O-CB 3.23Å; Y80-K84 WeakPolarHBondContact O-CB 3.34Å; Y80-K84 PolarHBondContact O-N 2.82Å
81	Q	52.2	Low	48.8	Very low	128 Å²	128	109.1 Å²	109.1	60%	0.598	60%	0.597	S	S	*	*	H	α-helix	trans	-73.3	-36.2	178.9	-137.3	160.1	-5.6	0	0	111.8	L77 K84 L85	L77-Q81 WeakPolarHBondContact O-CB 3.26Å; L77-Q81 PolarHBondContact O-N 3.41Å; Q81-K84 PolarHBondContact O-N 2.87Å; Q81-L85 WeakPolarHBondContact O-CB 3.23Å; Q81-L85 PolarHBondContact O-N 3.46Å
82	T	56.9	Low	49.3	Very low	87 Å²	87	101.6 Å²	101.6	53%	0.534	58%	0.576	S	S	.	*	H	α-helix	trans	-71.3	-37.9	171.9	35	0	0	0	0	112.6	G78 L79 L85 S86	G78-T82 PolarHBondContact O-N 3.13Å; G78-T82 VanDerWaalsContact O-N 3.1Å; G78-T82 PolarHBondContact O-OG1 3.38Å; L79-T82 WeakPolarHBondContact CA-OG1 3.47Å; L79-T82 PolarHBondContact O-OG1 3.3Å; L79-T82 VanDerWaalsContact O-OG1 3.14Å; T82-L85 PolarHBondContact O-N 2.8Å; T82-S86 VanDerWaalsContact O-CB 3.23Å; T82-S86 WeakPolarHBondContact O-CB 3.34Å; T82-S86 PolarHBondContact O-N 3.4Å
83	L	56.2	Low	49.4	Very low	99 Å²	99	101.2 Å²	101.2	52%	0.518	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-41.8	169.9	-100.5	151	0	0	0	111.7	L79 S86 V87	L79-L83 HydrophobicContact CD2-CD1 4.49Å; L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 PolarHBondContact O-N 2.88Å; L83-S86 PolarHBondContact O-N 3.41Å; L83-V87 VanDerWaalsContact O-CB 3.24Å; L83-V87 WeakPolarHBondContact O-CB 3.37Å; L83-V87 WeakPolarHBondContact O-CG2 3.24Å; L83-V87 PolarHBondContact O-N 2.77Å
84	K	60	Low	49.3	Very low	119 Å²	119	100.3 Å²	100.3	52%	0.517	56%	0.561	S	S	.	*	H	α-helix	trans	-67.7	-37.5	177	-165	179.4	-177.8	-176.5	0	111.6	Y80 Q81 Q88	Y80-K84 VanDerWaalsContact O-CB 3.23Å; Y80-K84 WeakPolarHBondContact O-CB 3.34Å; Y80-K84 PolarHBondContact O-N 2.82Å; Q81-K84 PolarHBondContact O-N 2.87Å; K84-Q88 VanDerWaalsContact O-CB 3.24Å; K84-Q88 WeakPolarHBondContact O-CB 3.36Å; K84-Q88 VanDerWaalsContact O-CG 3.27Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.4Å
85	L	53.8	Low	49.6	Very low	99 Å²	99	103.8 Å²	103.8	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-68	-40.7	174.4	-134.8	90.2	0	0	0	111.6	Q81 T82 Q88 Q89	Q81-L85 WeakPolarHBondContact O-CB 3.23Å; Q81-L85 PolarHBondContact O-N 3.46Å; T82-L85 PolarHBondContact O-N 2.8Å; L85-Q88 CarbonylContact O-C 3.29Å; L85-Q88 PolarHBondContact O-N 3.35Å; L85-Q89 WeakPolarHBondContact O-CB 3.09Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 2.84Å
86	S	56.4	Low	49.5	Very low	49 Å²	49	109.3 Å²	109.3	34%	0.343	57%	0.572	S	S	.	*	H	α-helix	trans	-69.2	-38.9	176.6	171.3	0	0	0	0	111.9	T82 L83 Q89 H90	T82-S86 VanDerWaalsContact O-CB 3.23Å; T82-S86 WeakPolarHBondContact O-CB 3.34Å; T82-S86 PolarHBondContact O-N 3.4Å; L83-S86 PolarHBondContact O-N 3.41Å; S86-Q89 PolarHBondContact O-N 2.8Å; S86-H90 WeakPolarHBondContact O-CB 3.18Å; S86-H90 PolarHBondContact O-CD2 3.47Å; S86-H90 PolarHBondContact O-N 3.33Å
87	V	56.7	Low	49.3	Very low	73 Å²	73	114.1 Å²	114.1	44%	0.442	58%	0.577	S	S	.	*	H	α-helix	trans	-69.3	-38.4	172.7	169.9	0	0	0	0	110.4	L83 H90 L91	L83-V87 VanDerWaalsContact O-CB 3.24Å; L83-V87 WeakPolarHBondContact O-CB 3.37Å; L83-V87 WeakPolarHBondContact O-CG2 3.24Å; L83-V87 PolarHBondContact O-N 2.77Å; V87-H90 PolarHBondContact O-N 3.34Å; V87-L91 HydrophobicContact CG1-CD1 3.71Å; V87-L91 HydrophobicContact CG1-CG 4.21Å; V87-L91 VanDerWaalsContact O-CB 3.24Å; V87-L91 WeakPolarHBondContact O-CB 3.12Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 2.79Å
88	Q	52.8	Low	48.8	Very low	112 Å²	112	114 Å²	114	52%	0.523	58%	0.582	S	S	.	*	H	α-helix	trans	-67.7	-33.4	171.6	-79.1	-175.8	-52.8	0	0	112.4	K84 L85 A92	K84-Q88 VanDerWaalsContact O-CB 3.24Å; K84-Q88 WeakPolarHBondContact O-CB 3.36Å; K84-Q88 VanDerWaalsContact O-CG 3.27Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.4Å; L85-Q88 CarbonylContact O-C 3.29Å; L85-Q88 PolarHBondContact O-N 3.35Å; Q88-A92 WeakPolarHBondContact O-CB 3.24Å; Q88-A92 PolarHBondContact O-N 3.05Å
89	Q	49.5	Very low	48.4	Very low	123 Å²	123	117.8 Å²	117.8	58%	0.575	60%	0.601	S	S	*	*	H	α-helix	trans	-70	-39.9	172.2	-82.9	174.9	-41.9	0	0	111.8	L85 S86 A92 E93	L85-Q89 WeakPolarHBondContact O-CB 3.09Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 2.84Å; S86-Q89 PolarHBondContact O-N 2.8Å; Q89-A92 CarbonylContact O-C 3.59Å; Q89-A92 PolarHBondContact O-N 2.81Å; Q89-E93 WeakPolarHBondContact O-CB 3.35Å; Q89-E93 PolarHBondContact O-N 2.83Å
90	H	50.3	Low	47.7	Very low	116 Å²	116	114.6 Å²	114.6	54%	0.537	60%	0.596	S	S	.	*	H	α-helix	trans	-68.9	-38.5	173.9	-90	-65.2	0	0	0	112.6	S86 V87 A92 E93 E94	S86-H90 WeakPolarHBondContact O-CB 3.18Å; S86-H90 PolarHBondContact O-CD2 3.47Å; S86-H90 PolarHBondContact O-N 3.33Å; V87-H90 PolarHBondContact O-N 3.34Å; H90-A92 VanDerWaalsContact C-N 3.34Å; H90-E93 IonicContact ND1-OE2 3.96Å; H90-E93 PolarHBondContact O-N 3.19Å; H90-E94 PolarHBondContact O-N 2.83Å
91	L	47.9	Very low	47.8	Very low	97 Å²	97	115.7 Å²	115.7	51%	0.508	61%	0.613	S	S	.	*	H	α-helix	trans	-70.6	-31.1	173	-69.2	169.9	0	0	0	111.5	V87 E94 D95	V87-L91 HydrophobicContact CG1-CD1 3.71Å; V87-L91 HydrophobicContact CG1-CG 4.21Å; V87-L91 VanDerWaalsContact O-CB 3.24Å; V87-L91 WeakPolarHBondContact O-CB 3.12Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 2.79Å; L91-E94 PolarHBondContact O-N 2.87Å; L91-D95 WeakPolarHBondContact O-CB 3.38Å; L91-D95 PolarHBondContact O-N 2.89Å
92	A	44.3	Very low	48.4	Very low	62 Å²	62	112.1 Å²	112.1	51%	0.512	61%	0.611	S	S	.	*	H	α-helix	trans	-76.8	-23.3	172.2	0	0	0	0	0	113.1	Q88 Q89 H90	Q88-A92 WeakPolarHBondContact O-CB 3.24Å; Q88-A92 PolarHBondContact O-N 3.05Å; Q89-A92 CarbonylContact O-C 3.59Å; Q89-A92 PolarHBondContact O-N 2.81Å; H90-A92 VanDerWaalsContact C-N 3.34Å
93	E	44.7	Very low	49.6	Very low	148 Å²	148	111.6 Å²	111.6	69%	0.692	60%	0.604	S	S	*	*	H	α-helix	trans	-77.3	-33.4	167.3	-87.2	177.9	156.6	0	0	112	Q89 H90 D95	Q89-E93 WeakPolarHBondContact O-CB 3.35Å; Q89-E93 PolarHBondContact O-N 2.83Å; H90-E93 IonicContact ND1-OE2 3.96Å; H90-E93 PolarHBondContact O-N 3.19Å; E93-D95 VanDerWaalsContact C-N 3.32Å
94	E	41	Very low	51.3	Low	164 Å²	164	112.1 Å²	112.1	77%	0.766	60%	0.602	S	S	*	*	H	α-helix	trans	-73.2	-20.2	171.3	-77.3	-165	149	0	0	113.4	H90 L91	H90-E94 PolarHBondContact O-N 2.83Å; L91-E94 PolarHBondContact O-N 2.87Å
95	D	40.4	Very low	53	Low	129 Å²	129	107 Å²	107	69%	0.69	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	19.9	-177.5	-144	19.1	0	0	0	114.9	L91 E93 K97	L91-D95 WeakPolarHBondContact O-CB 3.38Å; L91-D95 PolarHBondContact O-N 2.89Å; E93-D95 VanDerWaalsContact C-N 3.32Å; D95-K97 PolarHBondContact O-N 2.97Å
96	K	35.9	Very low	55.1	Low	180 Å²	180	103.3 Å²	103.3	78%	0.783	56%	0.562	S	S	*	*			trans	-76.8	57.1	159.7	-104	-175.6	-177.3	174.7	0	110.7	V98	K96-V98 VanDerWaalsContact C-N 3.26Å; K96-V98 PolarHBondContact O-N 3.46Å
97	K	38.5	Very low	57.1	Low	157 Å²	157	101 Å²	101	68%	0.683	55%	0.546	S	S	*	.			trans	-70	91.4	161.7	-139.5	178.3	-170.8	178.8	0	106.6	D95 S99	D95-K97 PolarHBondContact O-N 2.97Å; K97-S99 PolarHBondContact O-N 3.39Å; K97-S99 PolarHBondContact O-OG 3.22Å
98	V	36.3	Very low	59.1	Low	130 Å²	130	99.3 Å²	99.3	79%	0.788	53%	0.532	S	S	*	.			trans	-57.2	98.4	166.7	175.9	0	0	0	0	105.9	K96 G100	K96-V98 VanDerWaalsContact C-N 3.26Å; K96-V98 PolarHBondContact O-N 3.46Å; V98-G100 PolarHBondContact O-N 2.97Å
99	S	40.1	Very low	61.3	Low	121 Å²	121	94.2 Å²	94.2	85%	0.846	51%	0.508	S	S	*	.			trans	-75.1	76.8	170.3	-54.3	0	0	0	0	105.6	K97	K97-S99 PolarHBondContact O-N 3.39Å; K97-S99 PolarHBondContact O-OG 3.22Å
100	G	36.7	Very low	63.6	Low	48 Å²	48	89.2 Å²	89.2	50%	0.495	48%	0.484	S	S	.	.			trans	-111.1	149.7	168.7	0	0	0	0	0	107.9	V98 G102	V98-G100 PolarHBondContact O-N 2.97Å; G100-G102 PolarHBondContact O-N 3.41Å
101	D	53.3	Low	65.8	Low	189 Å²	189	87.4 Å²	87.4	100%	1.011	48%	0.475	S	S	*	.	S	Bend	trans	-58.7	42.1	173.3	-163.8	28.7	0	0	0	113.4
102	G	64.7	Low	68	Low	53 Å²	53	84.1 Å²	84.1	55%	0.546	46%	0.458	S	S	.	.			trans	-116.7	139.7	-168.9	0	0	0	0	0	112.2	G100 K104	G100-G102 PolarHBondContact O-N 3.41Å; G102-K104 PolarHBondContact O-N 2.82Å
103	L	81.3	Confident	70.4	Confident	76 Å²	76	81.4 Å²	81.4	40%	0.398	44%	0.436	S	S	.	.			trans	-51.7	122.5	177.3	-64.5	168.3	0	0	0	110.9	M105 V156 D157 L175	L103-M105 PolarHBondContact O-N 3.03Å; L103-V156 HydrophobicContact CB-CG1 4Å; L103-V156 HydrophobicContact CD2-CG1 4.06Å; L103-V156 HydrophobicContact CG-CG1 4.42Å; L103-D157 WeakPolarHBondContact CD2-OD2 3.31Å; L103-L175 HydrophobicContact CD1-CD2 3.86Å
104	K	92.3	Very high	73	Confident	110 Å²	110	75.2 Å²	75.2	48%	0.478	41%	0.408	S	S	.	.			trans	-78.6	111.6	176.9	-175.6	-175.2	177	-172.1	0	109.2	G102 D131 V156 D157	G102-K104 PolarHBondContact O-N 2.82Å; K104-D131 WeakPolarHBondContact CE-OD2 3.3Å; K104-V156 CarbonylContact O-C 3.6Å; K104-V156 WeakPolarHBondContact O-CA 3.28Å; K104-D157 PolarHBondContact N-OD1 3.09Å; K104-D157 PolarHBondContact O-N 3.28Å
105	M	96.4	Very high	75.7	Confident	10 Å²	10	69.5 Å²	69.5	5%	0.049	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.8	179.7	-72.6	177.1	-73.8	0	0	111.4	L103 L123 L128 P129 Y130 D131 L154 M155 V156 L172	L103-M105 PolarHBondContact O-N 3.03Å; M105-L123 HydrophobicContact SD-CD2 4.24Å; M105-L128 HydrophobicContact CE-CB 3.76Å; M105-L128 HydrophobicContact CE-CD1 4.49Å; M105-L128 HydrophobicContact CE-CG 4.47Å; M105-P129 WeakPolarHBondContact CE-O 3.31Å; M105-Y130 CarbonylContact O-C 3.58Å; M105-Y130 VanDerWaalsContact O-CA 3.3Å; M105-Y130 WeakPolarHBondContact O-CA 3.1Å; M105-D131 PolarHBondContact O-N 3.33Å; M105-L154 HydrophobicContact CB-CD1 4.22Å; M105-L154 HydrophobicContact SD-CD2 4.47Å; M105-M155 CarbonylContact C-O 3.54Å; M105-M155 WeakPolarHBondContact CA-O 3.34Å; M105-V156 HydrophobicContact CG-CG2 4.16Å; M105-L172 HydrophobicContact SD-CD1 4.33Å; M105-L172 HydrophobicContact SD-CD2 4.24Å
106	T	98	Very high	78.4	Confident	22 Å²	22	63.4 Å²	63.4	14%	0.135	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.7	174.1	-54.5	0	0	0	0	110.3	Y108 D131 V133 M155	T106-Y108 HydrophobicContact CG2-CD2 4.44Å; T106-Y108 HydrophobicContact CG2-CE2 3.9Å; T106-D131 CarbonylContact C-O 3.15Å; T106-D131 WeakPolarHBondContact CA-O 3.31Å; T106-D131 HydrophobicContact CG2-CB 4.28Å; T106-V133 HydrophobicContact CG2-CG2 3.6Å; T106-M155 PolarHBondContact N-O 3.27Å; T106-M155 PolarHBondContact O-N 3.48Å
107	L	98.5	Very high	81.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.2	-178.6	179.5	63	0	0	0	111	Q109 V119 R120 L123 Y130 D131 V133 P152 L154	L107-Q109 HydrophobicContact CG-CB 4.22Å; L107-Q109 HydrophobicContact CG-CG 4.43Å; L107-V119 HydrophobicContact CD1-CB 4.45Å; L107-V119 HydrophobicContact CD1-CG1 3.89Å; L107-V119 HydrophobicContact CD2-CG1 4.19Å; L107-R120 HydrophobicContact CD2-CG 3.68Å; L107-L123 HydrophobicContact CD2-CD1 4.35Å; L107-Y130 HydrophobicContact CB-CD2 4.03Å; L107-Y130 HydrophobicContact CD2-CD2 4.28Å; L107-Y130 HydrophobicContact CD2-CE2 4.03Å; L107-D131 PolarHBondContact N-O 2.66Å; L107-V133 PolarHBondContact O-N 3.05Å; L107-P152 HydrophobicContact CD1-CB 3.7Å; L107-L154 HydrophobicContact CB-CD1 3.96Å; L107-L154 HydrophobicContact CD1-CD1 4.21Å
108	Y	98.4	Very high	84.3	Confident	39 Å²	39	47.4 Å²	47.4	15%	0.153	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.1	169	-65.3	-102.1	0	0	0	109.2	T106 V133 V135 E142 I143 W145 P152 I153 M155	T106-Y108 HydrophobicContact CG2-CD2 4.44Å; T106-Y108 HydrophobicContact CG2-CE2 3.9Å; Y108-V133 WeakPolarHBondContact CA-O 3.44Å; Y108-V133 HydrophobicContact CD1-CB 3.7Å; Y108-V133 HydrophobicContact CD1-CG1 3.62Å; Y108-V133 HydrophobicContact CD1-CG2 4.44Å; Y108-V133 HydrophobicContact CE1-CB 3.82Å; Y108-V133 HydrophobicContact CE1-CG1 3.61Å; Y108-V133 HydrophobicContact CE1-CG2 4.1Å; Y108-V133 HydrophobicContact CG-CB 4.19Å; Y108-V135 HydrophobicContact CD1-CG2 4.28Å; Y108-E142 HydrophobicContact CD1-CB 4.34Å; Y108-E142 HydrophobicContact CE1-CB 4.46Å; Y108-E142 VanDerWaalsContact CE1-O 3.28Å; Y108-E142 WeakPolarHBondContact CE1-O 3.45Å; Y108-I143 HydrophobicContact CD1-CG2 3.83Å; Y108-I143 HydrophobicContact CG-CG2 4.19Å; Y108-W145 HydrophobicContact CD2-CZ2 4.26Å; Y108-W145 HydrophobicContact CE1-CZ2 4.19Å; Y108-W145 AromaticContact CE2-CZ2 3.85Å; Y108-W145 HydrophobicContact CE2-CZ2 3.85Å; Y108-W145 AromaticContact CZ-CZ2 3.8Å; Y108-P152 VanDerWaalsContact O-CA 3.3Å; Y108-P152 WeakPolarHBondContact O-CA 3.43Å; Y108-I153 PolarHBondContact N-O 3.43Å; Y108-I153 PolarHBondContact O-N 3.36Å; Y108-I153 VanDerWaalsContact O-N 3.08Å; Y108-M155 HydrophobicContact CD2-CG 4.32Å; Y108-M155 HydrophobicContact CE2-CB 4.4Å; Y108-M155 HydrophobicContact CE2-CG 3.72Å
109	Q	98.2	Very high	87.2	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	171.1	-172.4	61.4	158	3.2	0	0	114.7	L107 C116 I132 V133 V135	L107-Q109 HydrophobicContact CG-CB 4.22Å; L107-Q109 HydrophobicContact CG-CG 4.43Å; Q109-C116 HydrophobicContact CB-CB 3.6Å; Q109-C116 VanDerWaalsContact CB-SG 3.58Å; Q109-I132 HydrophobicContact CG-CG2 3.93Å; Q109-I132 VanDerWaalsContact NE2-CG2 3.34Å; Q109-V133 PolarHBondContact N-O 2.9Å; Q109-V133 VanDerWaalsContact N-O 3.11Å; Q109-V135 PolarHBondContact O-N 3.45Å
110	Y	97.8	Very high	90	Very high	19 Å²	19	37.1 Å²	37.1	8%	0.075	21%	0.207	C	C	.	.			trans	-107.4	122.9	148.9	-56.2	-37.7	0	0	0	108.2	T112 C113 C116 E134 V135 P137 R140 V151	Y110-T112 VanDerWaalsContact C-N 3.26Å; Y110-T112 PolarHBondContact O-N 3Å; Y110-C113 HydrophobicContact CD2-CB 4.42Å; Y110-C113 VanDerWaalsContact O-CB 3.31Å; Y110-C113 WeakPolarHBondContact O-CB 3.42Å; Y110-C113 PolarHBondContact O-N 3.49Å; Y110-C116 PolarHBondContact N-SG 3.27Å; Y110-C116 VanDerWaalsContact N-SG 3.43Å; Y110-C116 VanDerWaalsContact O-CB 3.29Å; Y110-C116 WeakPolarHBondContact O-CB 3.4Å; Y110-E134 VanDerWaalsContact CA-OE1 3.26Å; Y110-E134 WeakPolarHBondContact CA-OE1 3.33Å; Y110-V135 HydrophobicContact CD1-CB 3.98Å; Y110-V135 VanDerWaalsContact CD1-O 3.27Å; Y110-V135 WeakPolarHBondContact CD1-O 3.34Å; Y110-V135 HydrophobicContact CE1-CB 3.58Å; Y110-V135 HydrophobicContact CE1-CG1 3.73Å; Y110-V135 WeakPolarHBondContact CE1-O 3.23Å; Y110-P137 HydrophobicContact CD1-CG 3.97Å; Y110-P137 HydrophobicContact CE1-CB 4.05Å; Y110-P137 HydrophobicContact CE1-CG 3.82Å; Y110-R140 WeakPolarHBondContact OH-CD 3.29Å; Y110-R140 WeakPolarHBondContact OH-CG 3.13Å; Y110-V151 HydrophobicContact CD1-CG2 4.27Å; Y110-V151 HydrophobicContact CD2-CG2 3.38Å; Y110-V151 HydrophobicContact CE1-CG2 4.38Å; Y110-V151 HydrophobicContact CE2-CG2 3.51Å; Y110-V151 HydrophobicContact CG-CG2 3.79Å
111	K	96.1	Very high	93	Very high	78 Å²	78	34.8 Å²	34.8	34%	0.339	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-43	-176	-177.2	166.2	175.9	-173.5	0	112.6	C113 R120 E134 E268	K111-C113 VanDerWaalsContact C-N 3.31Å; K111-C113 PolarHBondContact O-N 3.15Å; K111-R120 PolarHBondContact O-NH2 2.81Å; K111-E134 PolarHBondContact N-OE1 3.32Å; K111-E134 PolarHBondContact N-OE2 3.04Å; K111-E268 HydrophobicContact CD-CB 4.08Å; K111-E268 WeakPolarHBondContact CE-OE2 3.43Å; K111-E268 HydrophobicContact CG-CB 4.45Å; K111-E268 IonicContact NZ-OE2 2.65Å; K111-E268 PolarHBondContact NZ-OE2 3.45Å
112	T	94.3	Very high	95.1	Very high	27 Å²	27	25.8 Å²	25.8	17%	0.166	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	5.3	-178	57.9	0	0	0	0	114.4	Y110 Y264 I265 E268	Y110-T112 VanDerWaalsContact C-N 3.26Å; Y110-T112 PolarHBondContact O-N 3Å; T112-Y264 HydrophobicContact CG2-CD1 3.81Å; T112-Y264 HydrophobicContact CG2-CE1 3.42Å; T112-Y264 VanDerWaalsContact CG2-CE1 3.42Å; T112-I265 HydrophobicContact CG2-CG1 4.24Å; T112-E268 HydrophobicContact CG2-CB 3.9Å; T112-E268 HydrophobicContact CG2-CG 4.33Å
113	C	96.4	Very high	96.7	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.041	11%	0.109	C	C	.	.			trans	-87.2	131.9	179.1	175.1	0	0	0	0	111.6	Y110 K111 F115 C116 S117	Y110-C113 HydrophobicContact CD2-CB 4.42Å; Y110-C113 VanDerWaalsContact O-CB 3.31Å; Y110-C113 WeakPolarHBondContact O-CB 3.42Å; Y110-C113 PolarHBondContact O-N 3.49Å; K111-C113 VanDerWaalsContact C-N 3.31Å; K111-C113 PolarHBondContact O-N 3.15Å; C113-F115 VanDerWaalsContact C-N 3.32Å; C113-F115 PolarHBondContact O-N 2.74Å; C113-C116 HydrophobicContact CB-CB 4.16Å; C113-C116 PolarHBondContact O-N 3.39Å; C113-C116 VanDerWaalsContact O-N 3.1Å; C113-S117 PolarHBondContact O-N 3.16Å
114	P	97.9	Very high	97.5	Very high	18 Å²	18	21.2 Å²	21.2	12%	0.117	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-38.3	-177.7	21.8	-32.6	0	0	0	112.8	C116 S117 K118 V244 V341 V344	P114-C116 VanDerWaalsContact C-N 3.29Å; P114-C116 PolarHBondContact O-N 3.32Å; P114-S117 PolarHBondContact O-N 3.39Å; P114-K118 WeakPolarHBondContact O-CB 3.38Å; P114-K118 PolarHBondContact O-N 2.77Å; P114-V244 HydrophobicContact CB-CG1 4.01Å; P114-V244 HydrophobicContact CG-CG1 4.15Å; P114-V341 HydrophobicContact CB-CB 4.45Å; P114-V341 HydrophobicContact CB-CG1 4.3Å; P114-V341 HydrophobicContact CB-CG2 4.23Å; P114-V344 HydrophobicContact CB-CG1 4.17Å; P114-V344 HydrophobicContact CB-CG2 4.32Å
115	F	98.1	Very high	97.8	Very high	44 Å²	44	16.3 Å²	16.3	19%	0.193	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-34.7	178.1	-57.3	-64.9	0	0	0	112.5	C113 V119 S165 V244	C113-F115 VanDerWaalsContact C-N 3.32Å; C113-F115 PolarHBondContact O-N 2.74Å; F115-V119 PolarHBondContact O-N 2.84Å; F115-S165 VanDerWaalsContact O-CB 3.22Å; F115-S165 WeakPolarHBondContact O-CB 3.39Å; F115-V244 HydrophobicContact CE1-CG1 4.27Å; F115-V244 HydrophobicContact CZ-CG1 4.4Å; F115-V244 HydrophobicContact CZ-CG2 4.31Å
116	C	98.3	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-76.9	-44.6	177.3	-59.2	0	0	0	0	111.2	Q109 Y110 C113 P114 K118 V119 R120	Q109-C116 HydrophobicContact CB-CB 3.6Å; Q109-C116 VanDerWaalsContact CB-SG 3.58Å; Y110-C116 PolarHBondContact N-SG 3.27Å; Y110-C116 VanDerWaalsContact N-SG 3.43Å; Y110-C116 VanDerWaalsContact O-CB 3.29Å; Y110-C116 WeakPolarHBondContact O-CB 3.4Å; C113-C116 HydrophobicContact CB-CB 4.16Å; C113-C116 PolarHBondContact O-N 3.39Å; C113-C116 VanDerWaalsContact O-N 3.1Å; P114-C116 VanDerWaalsContact C-N 3.29Å; P114-C116 PolarHBondContact O-N 3.32Å; C116-K118 PolarHBondContact O-N 2.93Å; C116-V119 PolarHBondContact O-N 3.32Å; C116-V119 VanDerWaalsContact O-N 3.1Å; C116-R120 PolarHBondContact O-N 3.43Å
117	S	98.5	Very high	97.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.4	-33.5	174	179.9	0	0	0	0	112.1	C113 P114 R120 A121 G340 R343 V344	C113-S117 PolarHBondContact O-N 3.16Å; P114-S117 PolarHBondContact O-N 3.39Å; S117-R120 PolarHBondContact O-N 3.38Å; S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 2.91Å; S117-G340 WeakPolarHBondContact CB-O 3.36Å; S117-G340 PolarHBondContact OG-O 3.34Å; S117-R343 PolarHBondContact O-NH2 3.44Å; S117-R343 PolarHBondContact OG-NE 3.38Å; S117-R343 VanDerWaalsContact OG-NE 3.1Å; S117-R343 PolarHBondContact OG-NH2 2.81Å; S117-V344 VanDerWaalsContact CB-CG1 3.49Å
118	K	98.1	Very high	97.6	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-48	173.3	-160.9	177	56.5	-177.3	0	113.1	P114 C116 A121 F122 S165 S166 I169 D240 A337	P114-K118 WeakPolarHBondContact O-CB 3.38Å; P114-K118 PolarHBondContact O-N 2.77Å; C116-K118 PolarHBondContact O-N 2.93Å; K118-A121 PolarHBondContact O-N 3.3Å; K118-F122 PolarHBondContact O-N 2.79Å; K118-F122 VanDerWaalsContact O-N 3.14Å; K118-S165 WeakPolarHBondContact CE-OG 3.48Å; K118-S165 PolarHBondContact NZ-OG 2.82Å; K118-S166 PolarHBondContact NZ-OG 2.99Å; K118-I169 HydrophobicContact CB-CD1 4.43Å; K118-I169 HydrophobicContact CD-CD1 4.14Å; K118-I169 HydrophobicContact CG-CD1 3.72Å; K118-D240 IonicContact NZ-OD1 2.7Å; K118-D240 PolarHBondContact NZ-OD1 3.31Å; K118-D240 IonicContact NZ-OD2 3.64Å; K118-D240 PolarHBondContact NZ-OD2 3.37Å; K118-A337 HydrophobicContact CD-CB 3.91Å; K118-A337 HydrophobicContact CG-CB 4.36Å
119	V	98.7	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-43.5	176.3	176.2	0	0	0	0	110.2	L107 F115 C116 A121 F122 L123 P152 I168 I169	L107-V119 HydrophobicContact CD1-CB 4.45Å; L107-V119 HydrophobicContact CD1-CG1 3.89Å; L107-V119 HydrophobicContact CD2-CG1 4.19Å; F115-V119 PolarHBondContact O-N 2.84Å; C116-V119 PolarHBondContact O-N 3.32Å; C116-V119 VanDerWaalsContact O-N 3.1Å; V119-A121 PolarHBondContact O-N 3.45Å; V119-F122 WeakPolarHBondContact O-CB 3.27Å; V119-F122 PolarHBondContact O-N 2.74Å; V119-L123 HydrophobicContact CG1-CD1 3.81Å; V119-L123 HydrophobicContact CG1-CG 4.19Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 2.78Å; V119-P152 HydrophobicContact CG2-CB 4.34Å; V119-P152 HydrophobicContact CG2-CG 3.72Å; V119-I168 HydrophobicContact CG1-CG2 3.83Å; V119-I168 HydrophobicContact CG2-CB 4.32Å; V119-I168 HydrophobicContact CG2-CD1 4.31Å; V119-I168 HydrophobicContact CG2-CG2 4.15Å; V119-I169 HydrophobicContact CG2-CD1 4.44Å; V119-I169 HydrophobicContact CG2-CG1 4.38Å
120	R	98.6	Very high	97.3	Very high	34 Å²	34	22.9 Å²	22.9	13%	0.128	12%	0.119	C	C	.	.	H	α-helix	trans	-57.5	-49.6	173.8	-71.5	-169	-72.7	111.8	-0.6	111.6	L107 K111 C116 S117 F122 L123 D124 Y130	L107-R120 HydrophobicContact CD2-CG 3.68Å; K111-R120 PolarHBondContact O-NH2 2.81Å; C116-R120 PolarHBondContact O-N 3.43Å; S117-R120 PolarHBondContact O-N 3.38Å; R120-F122 PolarHBondContact O-N 3.12Å; R120-L123 PolarHBondContact O-N 3.44Å; R120-L123 VanDerWaalsContact O-N 3.08Å; R120-D124 VanDerWaalsContact O-CB 3.23Å; R120-D124 WeakPolarHBondContact O-CB 3.33Å; R120-D124 PolarHBondContact O-N 3.15Å; R120-D124 VanDerWaalsContact O-OD2 3.05Å; R120-Y130 HydrophobicContact CG-CE2 4.22Å
121	A	98.5	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55.7	-39.5	179.6	0	0	0	0	0	112	S117 K118 V119 Y125 F339	S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 2.91Å; K118-A121 PolarHBondContact O-N 3.3Å; V119-A121 PolarHBondContact O-N 3.45Å; A121-Y125 WeakPolarHBondContact O-CB 3.33Å; A121-Y125 PolarHBondContact O-N 3.38Å; A121-F339 HydrophobicContact CB-CD1 3.94Å; A121-F339 HydrophobicContact CB-CE1 4.36Å
122	F	98.6	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-53.4	173	172.1	-90.6	0	0	0	112.7	K118 V119 R120 D124 Y125 Y126 L128 I169 L172 R173 M176 L333 L336	K118-F122 PolarHBondContact O-N 2.79Å; K118-F122 VanDerWaalsContact O-N 3.14Å; V119-F122 WeakPolarHBondContact O-CB 3.27Å; V119-F122 PolarHBondContact O-N 2.74Å; R120-F122 PolarHBondContact O-N 3.12Å; F122-D124 VanDerWaalsContact C-N 3.34Å; F122-D124 PolarHBondContact O-N 2.97Å; F122-Y125 PolarHBondContact O-N 3.31Å; F122-Y126 HydrophobicContact CD1-CD2 4.43Å; F122-Y126 AromaticContact CD2-CD2 3.58Å; F122-Y126 HydrophobicContact CD2-CD2 3.58Å; F122-Y126 AromaticContact CD2-CE2 3.48Å; F122-Y126 HydrophobicContact CD2-CE2 3.48Å; F122-Y126 VanDerWaalsContact CD2-CE2 3.48Å; F122-Y126 HydrophobicContact CE1-CD2 4.23Å; F122-Y126 AromaticContact CE2-CD2 3.37Å; F122-Y126 HydrophobicContact CE2-CD2 3.37Å; F122-Y126 AromaticContact CE2-CE2 3.19Å; F122-Y126 HydrophobicContact CE2-CE2 3.19Å; F122-Y126 HydrophobicContact CG-CD2 4.13Å; F122-Y126 HydrophobicContact CG-CE2 4.44Å; F122-Y126 AromaticContact CZ-CD2 3.71Å; F122-Y126 HydrophobicContact CZ-CD2 3.71Å; F122-Y126 AromaticContact CZ-CE2 3.95Å; F122-Y126 HydrophobicContact CZ-CE2 3.95Å; F122-Y126 VanDerWaalsContact O-CD2 3.29Å; F122-Y126 WeakPolarHBondContact O-CD2 3.48Å; F122-Y126 PolarHBondContact O-N 2.66Å; F122-Y126 VanDerWaalsContact O-N 3.1Å; F122-L128 HydrophobicContact CE1-CD1 3.94Å; F122-I169 HydrophobicContact CB-CD1 4.21Å; F122-I169 HydrophobicContact CB-CG1 3.91Å; F122-I169 HydrophobicContact CD1-CG1 4.37Å; F122-I169 HydrophobicContact CD2-CB 4.46Å; F122-I169 HydrophobicContact CD2-CG1 4.4Å; F122-I169 HydrophobicContact CD2-CG2 3.67Å; F122-I169 HydrophobicContact CE2-CG2 4.02Å; F122-I169 HydrophobicContact CG-CB 4.46Å; F122-I169 HydrophobicContact CG-CG1 3.97Å; F122-I169 HydrophobicContact CG-CG2 4.11Å; F122-L172 HydrophobicContact CD1-CD1 4.34Å; F122-L172 HydrophobicContact CE1-CB 3.63Å; F122-L172 HydrophobicContact CE1-CD1 3.78Å; F122-L172 HydrophobicContact CE1-CG 4.4Å; F122-L172 HydrophobicContact CZ-CB 3.86Å; F122-R173 HydrophobicContact CE2-CB 3.9Å; F122-R173 HydrophobicContact CZ-CB 4.04Å; F122-M176 HydrophobicContact CZ-SD 4.15Å; F122-L333 HydrophobicContact CD2-CD2 3.79Å; F122-L333 HydrophobicContact CE2-CD2 3.78Å; F122-L336 HydrophobicContact CD2-CD1 4.18Å
123	L	98.1	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-44.1	-178.5	-64.8	172.8	0	0	0	111.5	M105 L107 V119 R120 Y126 G127 L128 Y130 L172	M105-L123 HydrophobicContact SD-CD2 4.24Å; L107-L123 HydrophobicContact CD2-CD1 4.35Å; V119-L123 HydrophobicContact CG1-CD1 3.81Å; V119-L123 HydrophobicContact CG1-CG 4.19Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 2.78Å; R120-L123 PolarHBondContact O-N 3.44Å; R120-L123 VanDerWaalsContact O-N 3.08Å; L123-Y126 PolarHBondContact O-N 2.94Å; L123-G127 PolarHBondContact O-N 3.11Å; L123-L128 HydrophobicContact CB-CB 4.5Å; L123-L128 HydrophobicContact CD2-CB 4Å; L123-L128 HydrophobicContact CD2-CD1 3.75Å; L123-L128 PolarHBondContact O-N 2.78Å; L123-Y130 HydrophobicContact CB-CD1 3.61Å; L123-Y130 HydrophobicContact CB-CE1 3.44Å; L123-Y130 VanDerWaalsContact CB-CE1 3.44Å; L123-Y130 HydrophobicContact CB-CG 4.45Å; L123-Y130 HydrophobicContact CD1-CD1 3.65Å; L123-Y130 HydrophobicContact CD1-CD2 3.86Å; L123-Y130 HydrophobicContact CD1-CE1 3.95Å; L123-Y130 HydrophobicContact CD1-CE2 4.1Å; L123-Y130 HydrophobicContact CD1-CG 3.62Å; L123-Y130 HydrophobicContact CG-CD1 4.17Å; L123-Y130 HydrophobicContact CG-CE1 4.33Å; L123-L172 HydrophobicContact CD2-CD1 3.7Å
124	D	98	Very high	97.7	Very high	33 Å²	33	28.4 Å²	28.4	18%	0.176	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-53.6	175.6	-58	-21.2	0	0	0	109.4	R120 F122 Y126 G127 Y130 R343 H374	R120-D124 VanDerWaalsContact O-CB 3.23Å; R120-D124 WeakPolarHBondContact O-CB 3.33Å; R120-D124 PolarHBondContact O-N 3.15Å; R120-D124 VanDerWaalsContact O-OD2 3.05Å; F122-D124 VanDerWaalsContact C-N 3.34Å; F122-D124 PolarHBondContact O-N 2.97Å; D124-Y126 VanDerWaalsContact C-N 3.29Å; D124-Y126 PolarHBondContact O-N 3.1Å; D124-G127 PolarHBondContact O-N 3.14Å; D124-Y130 PolarHBondContact OD1-OH 2.84Å; D124-R343 IonicContact OD2-CZ 2.67Å; D124-R343 IonicContact OD2-NH1 2.85Å; D124-R343 PolarHBondContact OD2-NH1 3.34Å; D124-R343 IonicContact OD2-NH2 3.45Å; D124-H374 PolarHBondContact O-ND1 3.17Å
125	Y	98.3	Very high	97.7	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-38.5	-178.5	176.2	-108.4	0	0	0	113.9	A121 F122 G127 Q330 P331 L336 A370 H374 E375 G376	A121-Y125 WeakPolarHBondContact O-CB 3.33Å; A121-Y125 PolarHBondContact O-N 3.38Å; F122-Y125 PolarHBondContact O-N 3.31Å; Y125-G127 VanDerWaalsContact C-N 3.33Å; Y125-Q330 PolarHBondContact OH-OE1 3.41Å; Y125-P331 HydrophobicContact CD2-CG 4.41Å; Y125-P331 HydrophobicContact CE2-CB 4.16Å; Y125-P331 HydrophobicContact CE2-CG 3.73Å; Y125-P331 WeakPolarHBondContact OH-CD 3.48Å; Y125-L336 HydrophobicContact CD1-CD1 3.78Å; Y125-L336 HydrophobicContact CD1-CD2 4.05Å; Y125-L336 HydrophobicContact CD1-CG 4.45Å; Y125-L336 HydrophobicContact CD2-CD2 4.36Å; Y125-L336 HydrophobicContact CE1-CD1 4.43Å; Y125-L336 HydrophobicContact CG-CD1 4.32Å; Y125-L336 HydrophobicContact CG-CD2 3.74Å; Y125-A370 HydrophobicContact CD2-CB 4.21Å; Y125-A370 HydrophobicContact CE2-CB 4.07Å; Y125-H374 CarbonylContact O-C 3.52Å; Y125-H374 WeakPolarHBondContact O-CA 3.22Å; Y125-E375 HydrophobicContact CE2-CB 4.06Å; Y125-G376 VanDerWaalsContact CE1-CA 3.48Å; Y125-G376 VanDerWaalsContact CZ-CA 3.49Å; Y125-G376 VanDerWaalsContact O-CA 3.3Å; Y125-G376 WeakPolarHBondContact O-CA 3.47Å; Y125-G376 PolarHBondContact O-N 3.11Å
126	Y	97.2	Very high	97.5	Very high	15 Å²	15	26 Å²	26	6%	0.059	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.4	178.5	-75	-68.7	0	0	0	114.1	F122 L123 D124 L128 R173 M176 L336 G376	F122-Y126 HydrophobicContact CD1-CD2 4.43Å; F122-Y126 AromaticContact CD2-CD2 3.58Å; F122-Y126 HydrophobicContact CD2-CD2 3.58Å; F122-Y126 AromaticContact CD2-CE2 3.48Å; F122-Y126 HydrophobicContact CD2-CE2 3.48Å; F122-Y126 VanDerWaalsContact CD2-CE2 3.48Å; F122-Y126 HydrophobicContact CE1-CD2 4.23Å; F122-Y126 AromaticContact CE2-CD2 3.37Å; F122-Y126 HydrophobicContact CE2-CD2 3.37Å; F122-Y126 AromaticContact CE2-CE2 3.19Å; F122-Y126 HydrophobicContact CE2-CE2 3.19Å; F122-Y126 HydrophobicContact CG-CD2 4.13Å; F122-Y126 HydrophobicContact CG-CE2 4.44Å; F122-Y126 AromaticContact CZ-CD2 3.71Å; F122-Y126 HydrophobicContact CZ-CD2 3.71Å; F122-Y126 AromaticContact CZ-CE2 3.95Å; F122-Y126 HydrophobicContact CZ-CE2 3.95Å; F122-Y126 VanDerWaalsContact O-CD2 3.29Å; F122-Y126 WeakPolarHBondContact O-CD2 3.48Å; F122-Y126 PolarHBondContact O-N 2.66Å; F122-Y126 VanDerWaalsContact O-N 3.1Å; L123-Y126 PolarHBondContact O-N 2.94Å; D124-Y126 VanDerWaalsContact C-N 3.29Å; D124-Y126 PolarHBondContact O-N 3.1Å; Y126-L128 PolarHBondContact O-N 3.39Å; Y126-R173 VanDerWaalsContact OH-CZ 3.32Å; Y126-R173 PolarHBondContact OH-NE 2.91Å; Y126-M176 HydrophobicContact CD1-CE 3.55Å; Y126-M176 HydrophobicContact CD1-SD 4.24Å; Y126-M176 HydrophobicContact CD2-SD 4.49Å; Y126-M176 HydrophobicContact CE1-CE 4.31Å; Y126-M176 HydrophobicContact CG-CE 3.81Å; Y126-M176 HydrophobicContact CG-SD 4.1Å; Y126-L336 HydrophobicContact CE2-CD1 4.08Å; Y126-G376 WeakPolarHBondContact CD1-O 3.44Å
127	G	95.8	Very high	97.2	Very high	17 Å²	17	27.2 Å²	27.2	18%	0.175	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	30.3	-179	0	0	0	0	0	113.5	L123 D124 Y125	L123-G127 PolarHBondContact O-N 3.11Å; D124-G127 PolarHBondContact O-N 3.14Å; Y125-G127 VanDerWaalsContact C-N 3.33Å
128	L	94.9	Very high	96.8	Very high	37 Å²	37	30.8 Å²	30.8	19%	0.194	17%	0.169	C	C	.	.			trans	-77.7	128.6	179.8	-67.1	179	0	0	0	109.3	M105 F122 L123 Y126 Y130 M176	M105-L128 HydrophobicContact CE-CB 3.76Å; M105-L128 HydrophobicContact CE-CD1 4.49Å; M105-L128 HydrophobicContact CE-CG 4.47Å; F122-L128 HydrophobicContact CE1-CD1 3.94Å; L123-L128 HydrophobicContact CB-CB 4.5Å; L123-L128 HydrophobicContact CD2-CB 4Å; L123-L128 HydrophobicContact CD2-CD1 3.75Å; L123-L128 PolarHBondContact O-N 2.78Å; Y126-L128 PolarHBondContact O-N 3.39Å; L128-Y130 VanDerWaalsContact O-CD1 3.29Å; L128-Y130 WeakPolarHBondContact O-CD1 3.3Å; L128-M176 HydrophobicContact CD1-SD 4Å; L128-M176 HydrophobicContact CD2-CE 4.26Å; L128-M176 HydrophobicContact CD2-SD 4.46Å
129	P	94.9	Very high	96.4	Very high	94 Å²	94	35.4 Å²	35.4	61%	0.61	19%	0.192	S	C	*	.			trans	-74.3	130	178.8	29.4	-33.4	0	0	0	110.7	M105	M105-P129 WeakPolarHBondContact CE-O 3.31Å
130	Y	97.1	Very high	96.2	Very high	49 Å²	49	38.1 Å²	38.1	19%	0.192	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.3	177.1	66.2	-80.2	0	0	0	112.4	M105 L107 R120 L123 D124 L128 I132	M105-Y130 CarbonylContact O-C 3.58Å; M105-Y130 VanDerWaalsContact O-CA 3.3Å; M105-Y130 WeakPolarHBondContact O-CA 3.1Å; L107-Y130 HydrophobicContact CB-CD2 4.03Å; L107-Y130 HydrophobicContact CD2-CD2 4.28Å; L107-Y130 HydrophobicContact CD2-CE2 4.03Å; R120-Y130 HydrophobicContact CG-CE2 4.22Å; L123-Y130 HydrophobicContact CB-CD1 3.61Å; L123-Y130 HydrophobicContact CB-CE1 3.44Å; L123-Y130 VanDerWaalsContact CB-CE1 3.44Å; L123-Y130 HydrophobicContact CB-CG 4.45Å; L123-Y130 HydrophobicContact CD1-CD1 3.65Å; L123-Y130 HydrophobicContact CD1-CD2 3.86Å; L123-Y130 HydrophobicContact CD1-CE1 3.95Å; L123-Y130 HydrophobicContact CD1-CE2 4.1Å; L123-Y130 HydrophobicContact CD1-CG 3.62Å; L123-Y130 HydrophobicContact CG-CD1 4.17Å; L123-Y130 HydrophobicContact CG-CE1 4.33Å; D124-Y130 PolarHBondContact OD1-OH 2.84Å; L128-Y130 VanDerWaalsContact O-CD1 3.29Å; L128-Y130 WeakPolarHBondContact O-CD1 3.3Å; Y130-I132 HydrophobicContact CD2-CG1 3.87Å; Y130-I132 HydrophobicContact CE2-CD1 3.78Å; Y130-I132 HydrophobicContact CE2-CG1 3.59Å
131	D	97.9	Very high	96	Very high	85 Å²	85	42 Å²	42	46%	0.455	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	147.2	170.6	-63.3	-38	0	0	0	109.9	K104 M105 T106 L107	K104-D131 WeakPolarHBondContact CE-OD2 3.3Å; M105-D131 PolarHBondContact O-N 3.33Å; T106-D131 CarbonylContact C-O 3.15Å; T106-D131 WeakPolarHBondContact CA-O 3.31Å; T106-D131 HydrophobicContact CG2-CB 4.28Å; L107-D131 PolarHBondContact N-O 2.66Å
132	I	98	Very high	95.9	Very high	86 Å²	86	43.7 Å²	43.7	44%	0.441	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.2	176	-68.1	170.8	0	0	0	109.7	Q109 Y130	Q109-I132 HydrophobicContact CG-CG2 3.93Å; Q109-I132 VanDerWaalsContact NE2-CG2 3.34Å; Y130-I132 HydrophobicContact CD2-CG1 3.87Å; Y130-I132 HydrophobicContact CE2-CD1 3.78Å; Y130-I132 HydrophobicContact CE2-CG1 3.59Å
133	V	98	Very high	95.8	Very high	42 Å²	42	43.8 Å²	43.8	26%	0.255	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.4	164.9	179.6	0	0	0	0	108.5	T106 L107 Y108 Q109 V135 E142	T106-V133 HydrophobicContact CG2-CG2 3.6Å; L107-V133 PolarHBondContact O-N 3.05Å; Y108-V133 WeakPolarHBondContact CA-O 3.44Å; Y108-V133 HydrophobicContact CD1-CB 3.7Å; Y108-V133 HydrophobicContact CD1-CG1 3.62Å; Y108-V133 HydrophobicContact CD1-CG2 4.44Å; Y108-V133 HydrophobicContact CE1-CB 3.82Å; Y108-V133 HydrophobicContact CE1-CG1 3.61Å; Y108-V133 HydrophobicContact CE1-CG2 4.1Å; Y108-V133 HydrophobicContact CG-CB 4.19Å; Q109-V133 PolarHBondContact N-O 2.9Å; Q109-V133 VanDerWaalsContact N-O 3.11Å; V133-V135 PolarHBondContact O-N 2.99Å; V133-E142 HydrophobicContact CG1-CB 4.03Å; V133-E142 HydrophobicContact CG1-CG 4.06Å
134	E	98	Very high	95.6	Very high	34 Å²	34	49.9 Å²	49.9	16%	0.159	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.7	175.7	-166.2	65	-159.3	0	0	109.6	Y110 K111 K270	Y110-E134 VanDerWaalsContact CA-OE1 3.26Å; Y110-E134 WeakPolarHBondContact CA-OE1 3.33Å; K111-E134 PolarHBondContact N-OE1 3.32Å; K111-E134 PolarHBondContact N-OE2 3.04Å; E134-K270 HydrophobicContact CB-CB 4.13Å; E134-K270 HydrophobicContact CG-CB 3.74Å; E134-K270 WeakPolarHBondContact O-CD 3.19Å
135	V	97.4	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-87.1	133.3	-177.3	-178.7	0	0	0	0	108.9	Y108 Q109 Y110 V133 P137 R140 E142 I143 V151	Y108-V135 HydrophobicContact CD1-CG2 4.28Å; Q109-V135 PolarHBondContact O-N 3.45Å; Y110-V135 HydrophobicContact CD1-CB 3.98Å; Y110-V135 VanDerWaalsContact CD1-O 3.27Å; Y110-V135 WeakPolarHBondContact CD1-O 3.34Å; Y110-V135 HydrophobicContact CE1-CB 3.58Å; Y110-V135 HydrophobicContact CE1-CG1 3.73Å; Y110-V135 WeakPolarHBondContact CE1-O 3.23Å; V133-V135 PolarHBondContact O-N 2.99Å; V135-P137 VanDerWaalsContact O-CD 3.25Å; V135-P137 WeakPolarHBondContact O-CD 3.16Å; V135-R140 HydrophobicContact CG1-CB 4.29Å; V135-R140 HydrophobicContact CG1-CG 4.2Å; V135-E142 HydrophobicContact CG1-CB 4.42Å; V135-E142 HydrophobicContact CG2-CB 4.18Å; V135-I143 HydrophobicContact CG1-CD1 4.24Å; V135-I143 HydrophobicContact CG1-CG1 4.08Å; V135-I143 HydrophobicContact CG1-CG2 4.25Å; V135-I143 HydrophobicContact CG2-CG2 3.7Å; V135-V151 HydrophobicContact CB-CG1 4.45Å; V135-V151 HydrophobicContact CG2-CG1 4.03Å
136	N	94.5	Very high	95.3	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.064	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-69.2	121.4	173.4	175	-72.8	0	0	0	109.7	V138 M139 R140 E142 K270 E275	N136-V138 PolarHBondContact O-N 3.01Å; N136-V138 PolarHBondContact OD1-N 2.75Å; N136-M139 PolarHBondContact OD1-N 3.11Å; N136-R140 WeakPolarHBondContact O-CA 3.24Å; N136-R140 WeakPolarHBondContact O-CG 3.39Å; N136-R140 PolarHBondContact O-N 3.1Å; N136-E142 PolarHBondContact N-OE2 3.17Å; N136-K270 WeakPolarHBondContact CA-O 3.27Å; N136-K270 PolarHBondContact ND2-O 3.29Å; N136-E275 PolarHBondContact ND2-OE1 3.23Å; N136-E275 PolarHBondContact ND2-OE2 3.39Å; N136-E275 PolarHBondContact OD1-OE1 3.33Å
137	P	92.1	Very high	95.1	Very high	25 Å²	25	57.6 Å²	57.6	16%	0.162	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.1	-172.3	-25.7	38	0	0	0	115.6	Y110 V135 F271	Y110-P137 HydrophobicContact CD1-CG 3.97Å; Y110-P137 HydrophobicContact CE1-CB 4.05Å; Y110-P137 HydrophobicContact CE1-CG 3.82Å; V135-P137 VanDerWaalsContact O-CD 3.25Å; V135-P137 WeakPolarHBondContact O-CD 3.16Å; P137-F271 HydrophobicContact CB-CE1 4.42Å; P137-F271 HydrophobicContact CB-CZ 4.07Å; P137-F271 HydrophobicContact CG-CE1 4.18Å; P137-F271 HydrophobicContact CG-CE2 3.92Å; P137-F271 HydrophobicContact CG-CZ 3.53Å
138	V	89.4	Confident	95	Very high	74 Å²	74	58.1 Å²	58.1	45%	0.448	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-60.5	-178.4	-178	0	0	0	0	110.4	N136 F271 E275	N136-V138 PolarHBondContact O-N 3.01Å; N136-V138 PolarHBondContact OD1-N 2.75Å; V138-F271 HydrophobicContact CG2-CE1 4.36Å; V138-E275 WeakPolarHBondContact CB-OE1 2.97Å; V138-E275 HydrophobicContact CG2-CG 4.15Å; V138-E275 WeakPolarHBondContact CG2-OE1 3.38Å
139	M	89.9	Confident	94.8	Very high	99 Å²	99	61.9 Å²	61.9	49%	0.488	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-28.8	-174.8	-55.2	-164.5	84.2	0	0	113.6	N136 K141	N136-M139 PolarHBondContact OD1-N 3.11Å; M139-K141 HydrophobicContact CB-CG 4.01Å; M139-K141 PolarHBondContact O-N 2.88Å; M139-K141 VanDerWaalsContact O-N 3.09Å; M139-K141 HydrophobicContact SD-CD 4.45Å; M139-K141 WeakPolarHBondContact SD-CE 3.3Å
140	R	94.1	Very high	94.8	Very high	58 Å²	58	60.8 Å²	60.8	22%	0.219	30%	0.296	C	S	.	.			trans	47	38.4	179.1	-64.3	179.1	-75.6	165.1	-1.3	113.7	Y110 V135 N136 E142 I143	Y110-R140 WeakPolarHBondContact OH-CD 3.29Å; Y110-R140 WeakPolarHBondContact OH-CG 3.13Å; V135-R140 HydrophobicContact CG1-CB 4.29Å; V135-R140 HydrophobicContact CG1-CG 4.2Å; N136-R140 WeakPolarHBondContact O-CA 3.24Å; N136-R140 WeakPolarHBondContact O-CG 3.39Å; N136-R140 PolarHBondContact O-N 3.1Å; R140-E142 PolarHBondContact O-N 2.75Å; R140-I143 HydrophobicContact CB-CD1 4.26Å; R140-I143 HydrophobicContact CB-CG1 4.01Å; R140-I143 PolarHBondContact O-N 3.2Å
141	K	95.3	Very high	94.7	Very high	115 Å²	115	59.1 Å²	59.1	50%	0.5	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.7	-35.4	-175.2	-70.5	-177.8	-176.7	171.2	0	111.5	M139 I143 K144	M139-K141 HydrophobicContact CB-CG 4.01Å; M139-K141 PolarHBondContact O-N 2.88Å; M139-K141 VanDerWaalsContact O-N 3.09Å; M139-K141 HydrophobicContact SD-CD 4.45Å; M139-K141 WeakPolarHBondContact SD-CE 3.3Å; K141-I143 PolarHBondContact O-N 2.77Å; K141-K144 WeakPolarHBondContact O-CB 3.18Å; K141-K144 PolarHBondContact O-N 3.03Å
142	E	95.8	Very high	94.7	Very high	35 Å²	35	55.1 Å²	55.1	16%	0.164	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-64.9	-21.3	-175	-60.5	74.7	-162.8	0	0	113	Y108 V133 V135 N136 R140 W145 K270	Y108-E142 HydrophobicContact CD1-CB 4.34Å; Y108-E142 HydrophobicContact CE1-CB 4.46Å; Y108-E142 VanDerWaalsContact CE1-O 3.28Å; Y108-E142 WeakPolarHBondContact CE1-O 3.45Å; V133-E142 HydrophobicContact CG1-CB 4.03Å; V133-E142 HydrophobicContact CG1-CG 4.06Å; V135-E142 HydrophobicContact CG1-CB 4.42Å; V135-E142 HydrophobicContact CG2-CB 4.18Å; N136-E142 PolarHBondContact N-OE2 3.17Å; R140-E142 PolarHBondContact O-N 2.75Å; E142-W145 PolarHBondContact O-NE1 3.37Å; E142-K270 WeakPolarHBondContact OE1-CE 3.35Å; E142-K270 IonicContact OE1-NZ 2.75Å; E142-K270 PolarHBondContact OE1-NZ 3.45Å
143	I	96.5	Very high	94.7	Very high	3 Å²	3	51 Å²	51	2%	0.015	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-117.1	16.7	179.7	62.5	167.9	0	0	0	112.4	Y108 V135 R140 K141 W145 S146 R149 V151 I153	Y108-I143 HydrophobicContact CD1-CG2 3.83Å; Y108-I143 HydrophobicContact CG-CG2 4.19Å; V135-I143 HydrophobicContact CG1-CD1 4.24Å; V135-I143 HydrophobicContact CG1-CG1 4.08Å; V135-I143 HydrophobicContact CG1-CG2 4.25Å; V135-I143 HydrophobicContact CG2-CG2 3.7Å; R140-I143 HydrophobicContact CB-CD1 4.26Å; R140-I143 HydrophobicContact CB-CG1 4.01Å; R140-I143 PolarHBondContact O-N 3.2Å; K141-I143 PolarHBondContact O-N 2.77Å; I143-W145 VanDerWaalsContact C-N 3.25Å; I143-W145 PolarHBondContact O-N 2.92Å; I143-S146 PolarHBondContact O-N 3.48Å; I143-R149 PolarHBondContact O-NH1 3.09Å; I143-V151 HydrophobicContact CD1-CG1 4.21Å; I143-I153 HydrophobicContact CB-CD1 4.29Å; I143-I153 HydrophobicContact CG2-CD1 4.09Å
144	K	95.6	Very high	94.7	Very high	127 Å²	127	49 Å²	49	55%	0.552	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-29.6	-179	-84.4	-176	178	-170.4	0	113.3	K141 S146 R149	K141-K144 WeakPolarHBondContact O-CB 3.18Å; K141-K144 PolarHBondContact O-N 3.03Å; K144-S146 VanDerWaalsContact C-N 3.3Å; K144-S146 PolarHBondContact O-N 3.34Å; K144-R149 VanDerWaalsContact C-NH1 3.32Å; K144-R149 PolarHBondContact O-NH1 2.97Å; K144-R149 PolarHBondContact O-NH2 2.81Å
145	W	95.1	Very high	94.7	Very high	122 Å²	122	48.2 Å²	48.2	46%	0.462	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.2	177.4	55.6	-95	0	0	0	112.9	Y108 E142 I143 I153 M155 Q161	Y108-W145 HydrophobicContact CD2-CZ2 4.26Å; Y108-W145 HydrophobicContact CE1-CZ2 4.19Å; Y108-W145 AromaticContact CE2-CZ2 3.85Å; Y108-W145 HydrophobicContact CE2-CZ2 3.85Å; Y108-W145 AromaticContact CZ-CZ2 3.8Å; E142-W145 PolarHBondContact O-NE1 3.37Å; I143-W145 VanDerWaalsContact C-N 3.25Å; I143-W145 PolarHBondContact O-N 2.92Å; W145-I153 HydrophobicContact CH2-CG2 4.11Å; W145-M155 HydrophobicContact CH2-CE 4.5Å; W145-M155 HydrophobicContact CH2-CG 3.78Å; W145-M155 HydrophobicContact CH2-SD 3.38Å; W145-M155 WeakPolarHBondContact CH2-SD 3.34Å; W145-M155 HydrophobicContact CZ2-CG 4.23Å; W145-M155 HydrophobicContact CZ2-SD 4.37Å; W145-M155 HydrophobicContact CZ3-SD 3.8Å; W145-Q161 HydrophobicContact CH2-CG 4.27Å; W145-Q161 HydrophobicContact CZ3-CG 4.32Å
146	S	94.8	Very high	94.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	23%	0.234	C	C	.	.			trans	-85.3	135.8	-177.6	-178.5	0	0	0	0	112.4	I143 K144 Y148 R149 Q161	I143-S146 PolarHBondContact O-N 3.48Å; K144-S146 VanDerWaalsContact C-N 3.3Å; K144-S146 PolarHBondContact O-N 3.34Å; S146-Y148 PolarHBondContact O-N 3.04Å; S146-Y148 WeakPolarHBondContact OG-CB 3.29Å; S146-Y148 PolarHBondContact OG-N 3.43Å; S146-Y148 VanDerWaalsContact OG-N 3.07Å; S146-Y148 PolarHBondContact OG-O 3.08Å; S146-R149 WeakPolarHBondContact O-CD 3.49Å; S146-R149 PolarHBondContact O-NE 3.18Å; S146-R149 PolarHBondContact O-NH1 3.41Å; S146-Q161 PolarHBondContact OG-NE2 3.26Å; S146-Q161 PolarHBondContact OG-OE1 3.07Å
147	A	92.6	Very high	94.3	Very high	95 Å²	95	51.6 Å²	51.6	79%	0.785	25%	0.251	S	S	*	.	S	Bend	trans	-63.7	-28.1	168.1	0	0	0	0	0	111.9	R149	A147-R149 PolarHBondContact O-N 3.27Å
148	Y	92.4	Very high	94.1	Very high	28 Å²	28	53.3 Å²	53.3	11%	0.11	27%	0.273	C	S	.	.			trans	-78.5	114	177.1	-173.2	-100.2	0	0	0	110.4	S146 K150 I153 N163 D164 Y206	S146-Y148 PolarHBondContact O-N 3.04Å; S146-Y148 WeakPolarHBondContact OG-CB 3.29Å; S146-Y148 PolarHBondContact OG-N 3.43Å; S146-Y148 VanDerWaalsContact OG-N 3.07Å; S146-Y148 PolarHBondContact OG-O 3.08Å; Y148-K150 HydrophobicContact CD1-CB 4.22Å; Y148-K150 WeakPolarHBondContact CD1-O 3.28Å; Y148-K150 HydrophobicContact CE1-CB 3.53Å; Y148-K150 HydrophobicContact CE1-CG 4.43Å; Y148-K150 WeakPolarHBondContact CE1-O 3.43Å; Y148-K150 HydrophobicContact CE2-CD 4.27Å; Y148-I153 HydrophobicContact CD1-CD1 3.93Å; Y148-I153 HydrophobicContact CD1-CG1 3.76Å; Y148-I153 HydrophobicContact CE1-CG1 4.23Å; Y148-N163 WeakPolarHBondContact CB-OD1 3.25Å; Y148-N163 HydrophobicContact CD1-CB 4.06Å; Y148-N163 VanDerWaalsContact CD1-OD1 3.29Å; Y148-N163 WeakPolarHBondContact CD1-OD1 3.49Å; Y148-N163 HydrophobicContact CD2-CB 3.9Å; Y148-N163 HydrophobicContact CE1-CB 4.02Å; Y148-N163 HydrophobicContact CE2-CB 3.87Å; Y148-N163 HydrophobicContact CG-CB 3.98Å; Y148-D164 PolarHBondContact OH-N 2.77Å; Y148-Y206 HydrophobicContact CE2-CE2 4.32Å
149	R	91.6	Very high	94.1	Very high	116 Å²	116	58 Å²	58	44%	0.438	29%	0.29	S	S	.	.			trans	-98.3	24.1	-172.3	-53.1	-54.4	-172.7	176.5	-1.6	114.3	I143 K144 S146 A147	I143-R149 PolarHBondContact O-NH1 3.09Å; K144-R149 VanDerWaalsContact C-NH1 3.32Å; K144-R149 PolarHBondContact O-NH1 2.97Å; K144-R149 PolarHBondContact O-NH2 2.81Å; S146-R149 WeakPolarHBondContact O-CD 3.49Å; S146-R149 PolarHBondContact O-NE 3.18Å; S146-R149 PolarHBondContact O-NH1 3.41Å; A147-R149 PolarHBondContact O-N 3.27Å
150	K	93.9	Very high	94.2	Very high	71 Å²	71	55.9 Å²	55.9	31%	0.309	28%	0.28	S	S	.	.	S	Bend	trans	-123	164.4	176.7	-50.5	171.4	-174.9	166.6	0	109.2	A3 Y148 I153	A3-K150 HydrophobicContact CB-CG 4.19Å; Y148-K150 HydrophobicContact CD1-CB 4.22Å; Y148-K150 WeakPolarHBondContact CD1-O 3.28Å; Y148-K150 HydrophobicContact CE1-CB 3.53Å; Y148-K150 HydrophobicContact CE1-CG 4.43Å; Y148-K150 WeakPolarHBondContact CE1-O 3.43Å; Y148-K150 HydrophobicContact CE2-CD 4.27Å; K150-I153 WeakPolarHBondContact O-CG1 3.22Å
151	V	96.2	Very high	94.3	Very high	14 Å²	14	55.8 Å²	55.8	9%	0.085	28%	0.283	C	S	.	.	S	Bend	trans	-121.3	153.2	171.5	-65.6	0	0	0	0	109	Y110 V135 I143	Y110-V151 HydrophobicContact CD1-CG2 4.27Å; Y110-V151 HydrophobicContact CD2-CG2 3.38Å; Y110-V151 HydrophobicContact CE1-CG2 4.38Å; Y110-V151 HydrophobicContact CE2-CG2 3.51Å; Y110-V151 HydrophobicContact CG-CG2 3.79Å; V135-V151 HydrophobicContact CB-CG1 4.45Å; V135-V151 HydrophobicContact CG2-CG1 4.03Å; I143-V151 HydrophobicContact CD1-CG1 4.21Å
152	P	98.2	Very high	94.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.259	C	S	.	.			cis	-73.5	154.1	2.6	30.4	-34.7	0	0	0	113.9	L107 Y108 V119 I168	L107-P152 HydrophobicContact CD1-CB 3.7Å; Y108-P152 VanDerWaalsContact O-CA 3.3Å; Y108-P152 WeakPolarHBondContact O-CA 3.43Å; V119-P152 HydrophobicContact CG2-CB 4.34Å; V119-P152 HydrophobicContact CG2-CG 3.72Å; P152-I168 HydrophobicContact CB-CD1 4.28Å; P152-I168 HydrophobicContact CG-CD1 4.1Å
153	I	98.2	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.9	163.5	-57.1	176.2	0	0	0	106.4	Y108 I143 W145 Y148 K150 Q161	Y108-I153 PolarHBondContact N-O 3.43Å; Y108-I153 PolarHBondContact O-N 3.36Å; Y108-I153 VanDerWaalsContact O-N 3.08Å; I143-I153 HydrophobicContact CB-CD1 4.29Å; I143-I153 HydrophobicContact CG2-CD1 4.09Å; W145-I153 HydrophobicContact CH2-CG2 4.11Å; Y148-I153 HydrophobicContact CD1-CD1 3.93Å; Y148-I153 HydrophobicContact CD1-CG1 3.76Å; Y148-I153 HydrophobicContact CE1-CG1 4.23Å; K150-I153 WeakPolarHBondContact O-CG1 3.22Å; I153-Q161 HydrophobicContact CG2-CG 3.5Å
154	L	98	Very high	94.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.4	174.4	-172.9	75.8	0	0	0	109	M105 L107 V156 L162 I168 L172	M105-L154 HydrophobicContact CB-CD1 4.22Å; M105-L154 HydrophobicContact SD-CD2 4.47Å; L107-L154 HydrophobicContact CB-CD1 3.96Å; L107-L154 HydrophobicContact CD1-CD1 4.21Å; L154-V156 HydrophobicContact CD2-CG2 4.25Å; L154-V156 HydrophobicContact CG-CG2 4.42Å; L154-L162 HydrophobicContact CB-CB 4.34Å; L154-L162 PolarHBondContact N-O 3.23Å; L154-L162 PolarHBondContact O-N 3.37Å; L154-I168 HydrophobicContact CB-CD1 3.98Å; L154-I168 HydrophobicContact CB-CG1 4.12Å; L154-I168 HydrophobicContact CB-CG2 4.1Å; L154-I168 HydrophobicContact CD2-CG2 3.72Å; L154-L172 HydrophobicContact CD2-CD1 3.68Å; L154-L172 HydrophobicContact CD2-CD2 4.34Å; L154-L172 HydrophobicContact CD2-CG 4.29Å
155	M	96.8	Very high	94.4	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.084	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.4	169	-69.1	-59.4	-63	0	0	109.5	M105 T106 Y108 W145 G158 L160 Q161	M105-M155 CarbonylContact C-O 3.54Å; M105-M155 WeakPolarHBondContact CA-O 3.34Å; T106-M155 PolarHBondContact N-O 3.27Å; T106-M155 PolarHBondContact O-N 3.48Å; Y108-M155 HydrophobicContact CD2-CG 4.32Å; Y108-M155 HydrophobicContact CE2-CB 4.4Å; Y108-M155 HydrophobicContact CE2-CG 3.72Å; W145-M155 HydrophobicContact CH2-CE 4.5Å; W145-M155 HydrophobicContact CH2-CG 3.78Å; W145-M155 HydrophobicContact CH2-SD 3.38Å; W145-M155 WeakPolarHBondContact CH2-SD 3.34Å; W145-M155 HydrophobicContact CZ2-CG 4.23Å; W145-M155 HydrophobicContact CZ2-SD 4.37Å; W145-M155 HydrophobicContact CZ3-SD 3.8Å; M155-G158 VanDerWaalsContact CE-C 3.49Å; M155-G158 VanDerWaalsContact CE-O 3.25Å; M155-G158 WeakPolarHBondContact CE-O 3.33Å; M155-L160 CarbonylContact C-O 3.57Å; M155-L160 WeakPolarHBondContact CA-O 3.37Å; M155-Q161 HydrophobicContact CE-CB 4.4Å; M155-Q161 HydrophobicContact SD-CB 3.54Å; M155-Q161 VanDerWaalsContact SD-CB 3.54Å; M155-Q161 HydrophobicContact SD-CG 3.72Å
156	V	94.1	Very high	94.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.2	172.9	-173	0	0	0	0	108.5	L103 K104 M105 L154 G158 E159 L160 L162 L183	L103-V156 HydrophobicContact CB-CG1 4Å; L103-V156 HydrophobicContact CD2-CG1 4.06Å; L103-V156 HydrophobicContact CG-CG1 4.42Å; K104-V156 CarbonylContact O-C 3.6Å; K104-V156 WeakPolarHBondContact O-CA 3.28Å; M105-V156 HydrophobicContact CG-CG2 4.16Å; L154-V156 HydrophobicContact CD2-CG2 4.25Å; L154-V156 HydrophobicContact CG-CG2 4.42Å; V156-G158 PolarHBondContact O-N 2.93Å; V156-E159 PolarHBondContact O-N 2.81Å; V156-L160 HydrophobicContact CB-CB 4.33Å; V156-L160 PolarHBondContact N-O 3.32Å; V156-L160 PolarHBondContact O-N 2.92Å; V156-L162 HydrophobicContact CG2-CD1 3.89Å; V156-L183 HydrophobicContact CB-CD2 3.68Å; V156-L183 HydrophobicContact CG1-CD2 3.71Å; V156-L183 HydrophobicContact CG2-CD2 3.64Å
157	D	90.4	Very high	94.6	Very high	82 Å²	82	40 Å²	40	44%	0.439	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	19	-177.1	-56.5	-38.9	0	0	0	114.7	L103 K104 E159	L103-D157 WeakPolarHBondContact CD2-OD2 3.31Å; K104-D157 PolarHBondContact N-OD1 3.09Å; K104-D157 PolarHBondContact O-N 3.28Å; D157-E159 PolarHBondContact O-N 2.8Å
158	G	87.6	Confident	94.9	Very high	60 Å²	60	35.5 Å²	35.5	62%	0.619	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-5.1	-178.4	0	0	0	0	0	114.9	M155 V156	M155-G158 VanDerWaalsContact CE-C 3.49Å; M155-G158 VanDerWaalsContact CE-O 3.25Å; M155-G158 WeakPolarHBondContact CE-O 3.33Å; V156-G158 PolarHBondContact O-N 2.93Å
159	E	88.3	Confident	95.1	Very high	172 Å²	172	34.4 Å²	34.4	80%	0.804	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-43.4	-175.7	-62.5	-173.8	170.2	0	0	112.3	V156 D157	V156-E159 PolarHBondContact O-N 2.81Å; D157-E159 PolarHBondContact O-N 2.8Å
160	L	93.1	Very high	95.4	Very high	55 Å²	55	28.9 Å²	28.9	29%	0.288	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	-173.4	-68.4	174.3	0	0	0	111.2	M155 V156 L183	M155-L160 CarbonylContact C-O 3.57Å; M155-L160 WeakPolarHBondContact CA-O 3.37Å; V156-L160 HydrophobicContact CB-CB 4.33Å; V156-L160 PolarHBondContact N-O 3.32Å; V156-L160 PolarHBondContact O-N 2.92Å; L160-L183 HydrophobicContact CB-CD2 4.49Å; L160-L183 HydrophobicContact CD1-CB 4Å; L160-L183 HydrophobicContact CD1-CD2 3.88Å; L160-L183 HydrophobicContact CD1-CG 4.01Å
161	Q	95.1	Very high	95.5	Very high	56 Å²	56	25.5 Å²	25.5	26%	0.262	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.5	177.6	-171.5	-170.1	-46.5	0	0	111.2	W145 S146 I153 M155 N163	W145-Q161 HydrophobicContact CH2-CG 4.27Å; W145-Q161 HydrophobicContact CZ3-CG 4.32Å; S146-Q161 PolarHBondContact OG-NE2 3.26Å; S146-Q161 PolarHBondContact OG-OE1 3.07Å; I153-Q161 HydrophobicContact CG2-CG 3.5Å; M155-Q161 HydrophobicContact CE-CB 4.4Å; M155-Q161 HydrophobicContact SD-CB 3.54Å; M155-Q161 VanDerWaalsContact SD-CB 3.54Å; M155-Q161 HydrophobicContact SD-CG 3.72Å; Q161-N163 VanDerWaalsContact NE2-CG 3.33Å; Q161-N163 PolarHBondContact NE2-ND2 3.39Å; Q161-N163 VanDerWaalsContact NE2-ND2 3.12Å; Q161-N163 PolarHBondContact NE2-OD1 3.38Å
162	L	95.7	Very high	95.5	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.3	169.1	-68.1	82.4	0	0	0	110.5	L154 V156 I168 L183 I187	L154-L162 HydrophobicContact CB-CB 4.34Å; L154-L162 PolarHBondContact N-O 3.23Å; L154-L162 PolarHBondContact O-N 3.37Å; V156-L162 HydrophobicContact CG2-CD1 3.89Å; L162-I168 HydrophobicContact CB-CG1 3.61Å; L162-L183 HydrophobicContact CD1-CD1 4.49Å; L162-L183 HydrophobicContact CD1-CD2 4.13Å; L162-L183 HydrophobicContact CD2-CD1 4.26Å; L162-I187 HydrophobicContact CD1-CD1 3.8Å; L162-I187 HydrophobicContact CD2-CD1 4.45Å; L162-I187 HydrophobicContact CD2-CG1 4.31Å; L162-I187 HydrophobicContact CG-CD1 3.82Å; L162-I187 HydrophobicContact CG-CG1 4.06Å
163	N	95.9	Very high	95.4	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.139	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	163.1	178.9	-63.8	-44.9	0	0	0	110.1	Y148 Q161 V167 Y206	Y148-N163 WeakPolarHBondContact CB-OD1 3.25Å; Y148-N163 HydrophobicContact CD1-CB 4.06Å; Y148-N163 VanDerWaalsContact CD1-OD1 3.29Å; Y148-N163 WeakPolarHBondContact CD1-OD1 3.49Å; Y148-N163 HydrophobicContact CD2-CB 3.9Å; Y148-N163 HydrophobicContact CE1-CB 4.02Å; Y148-N163 HydrophobicContact CE2-CB 3.87Å; Y148-N163 HydrophobicContact CG-CB 3.98Å; Q161-N163 VanDerWaalsContact NE2-CG 3.33Å; Q161-N163 PolarHBondContact NE2-ND2 3.39Å; Q161-N163 VanDerWaalsContact NE2-ND2 3.12Å; Q161-N163 PolarHBondContact NE2-OD1 3.38Å; N163-V167 WeakPolarHBondContact O-CB 3.47Å; N163-Y206 WeakPolarHBondContact CB-OH 3.18Å
164	D	96.4	Very high	95.2	Very high	31 Å²	31	27.1 Å²	27.1	17%	0.166	15%	0.148	C	C	.	.	S	Bend	trans	63.1	126.2	-175.7	-172.5	-80.7	0	0	0	113.8	Y148 S166 V167 I168 Y206	Y148-D164 PolarHBondContact OH-N 2.77Å; D164-S166 VanDerWaalsContact C-N 3.28Å; D164-S166 PolarHBondContact O-N 2.78Å; D164-S166 WeakPolarHBondContact OD1-CA 3.42Å; D164-S166 WeakPolarHBondContact OD1-CB 3.24Å; D164-S166 PolarHBondContact OD1-N 3.24Å; D164-V167 HydrophobicContact CB-CB 4.14Å; D164-V167 HydrophobicContact CB-CG2 3.97Å; D164-V167 PolarHBondContact O-N 2.88Å; D164-V167 PolarHBondContact OD1-N 3.36Å; D164-I168 WeakPolarHBondContact O-CD1 3.5Å; D164-I168 VanDerWaalsContact O-CG1 3.25Å; D164-I168 WeakPolarHBondContact O-CG1 3.47Å; D164-I168 PolarHBondContact O-N 3.22Å; D164-Y206 HydrophobicContact CB-CD2 3.59Å; D164-Y206 HydrophobicContact CB-CE2 3.68Å; D164-Y206 HydrophobicContact CB-CG 4.36Å
165	S	97.6	Very high	95	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-34.5	-176.5	57.5	0	0	0	0	114.4	F115 K118 I169	F115-S165 VanDerWaalsContact O-CB 3.22Å; F115-S165 WeakPolarHBondContact O-CB 3.39Å; K118-S165 WeakPolarHBondContact CE-OG 3.48Å; K118-S165 PolarHBondContact NZ-OG 2.82Å; S165-I169 WeakPolarHBondContact O-CD1 3.29Å; S165-I169 VanDerWaalsContact O-CG1 3.26Å; S165-I169 WeakPolarHBondContact O-CG1 3.5Å; S165-I169 PolarHBondContact O-N 2.75Å
166	S	97.8	Very high	94.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-81.4	-35.4	-177.3	-74	0	0	0	0	111.4	K118 D164 I169 S170 K209 Y210 R236 D240	K118-S166 PolarHBondContact NZ-OG 2.99Å; D164-S166 VanDerWaalsContact C-N 3.28Å; D164-S166 PolarHBondContact O-N 2.78Å; D164-S166 WeakPolarHBondContact OD1-CA 3.42Å; D164-S166 WeakPolarHBondContact OD1-CB 3.24Å; D164-S166 PolarHBondContact OD1-N 3.24Å; S166-I169 PolarHBondContact O-N 3.45Å; S166-S170 WeakPolarHBondContact O-CB 3.49Å; S166-S170 PolarHBondContact O-N 3.32Å; S166-S170 PolarHBondContact O-OG 3.26Å; S166-S170 VanDerWaalsContact O-OG 3.1Å; S166-K209 CarbonylContact C-O 3.31Å; S166-Y210 WeakPolarHBondContact OG-CE1 3.48Å; S166-R236 PolarHBondContact O-NH2 3.31Å; S166-D240 PolarHBondContact OG-OD2 3.28Å
167	V	97.4	Very high	94.6	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.036	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-48.7	171.2	176.1	0	0	0	0	110.5	N163 D164 I169 S170 S171 Y190 Y206 K209	N163-V167 WeakPolarHBondContact O-CB 3.47Å; D164-V167 HydrophobicContact CB-CB 4.14Å; D164-V167 HydrophobicContact CB-CG2 3.97Å; D164-V167 PolarHBondContact O-N 2.88Å; D164-V167 PolarHBondContact OD1-N 3.36Å; V167-I169 VanDerWaalsContact C-N 3.27Å; V167-I169 PolarHBondContact O-N 2.9Å; V167-S170 PolarHBondContact O-N 2.93Å; V167-S170 VanDerWaalsContact O-N 3.09Å; V167-S171 WeakPolarHBondContact O-CB 3.39Å; V167-S171 PolarHBondContact O-N 2.61Å; V167-S171 PolarHBondContact O-OG 3.25Å; V167-Y190 HydrophobicContact CG1-CD2 4.23Å; V167-Y190 HydrophobicContact CG1-CG 3.93Å; V167-Y206 HydrophobicContact CG2-CD1 4.14Å; V167-Y206 HydrophobicContact CG2-CD2 4.34Å; V167-Y206 HydrophobicContact CG2-CG 3.75Å; V167-K209 HydrophobicContact CG2-CB 3.61Å
168	I	97.8	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-48.9	-51.1	175.2	-70.6	161.7	0	0	0	110.8	V119 P152 L154 L162 D164 L172	V119-I168 HydrophobicContact CG1-CG2 3.83Å; V119-I168 HydrophobicContact CG2-CB 4.32Å; V119-I168 HydrophobicContact CG2-CD1 4.31Å; V119-I168 HydrophobicContact CG2-CG2 4.15Å; P152-I168 HydrophobicContact CB-CD1 4.28Å; P152-I168 HydrophobicContact CG-CD1 4.1Å; L154-I168 HydrophobicContact CB-CD1 3.98Å; L154-I168 HydrophobicContact CB-CG1 4.12Å; L154-I168 HydrophobicContact CB-CG2 4.1Å; L154-I168 HydrophobicContact CD2-CG2 3.72Å; L162-I168 HydrophobicContact CB-CG1 3.61Å; D164-I168 WeakPolarHBondContact O-CD1 3.5Å; D164-I168 VanDerWaalsContact O-CG1 3.25Å; D164-I168 WeakPolarHBondContact O-CG1 3.47Å; D164-I168 PolarHBondContact O-N 3.22Å; I168-L172 HydrophobicContact CG2-CD1 4.1Å; I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 VanDerWaalsContact O-CG 3.31Å; I168-L172 WeakPolarHBondContact O-CG 3.14Å; I168-L172 PolarHBondContact O-N 2.92Å
169	I	98.1	Very high	94.4	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-46.7	-180	-69.8	168	0	0	0	111.6	K118 V119 F122 S165 S166 V167 R173 L333	K118-I169 HydrophobicContact CB-CD1 4.43Å; K118-I169 HydrophobicContact CD-CD1 4.14Å; K118-I169 HydrophobicContact CG-CD1 3.72Å; V119-I169 HydrophobicContact CG2-CD1 4.44Å; V119-I169 HydrophobicContact CG2-CG1 4.38Å; F122-I169 HydrophobicContact CB-CD1 4.21Å; F122-I169 HydrophobicContact CB-CG1 3.91Å; F122-I169 HydrophobicContact CD1-CG1 4.37Å; F122-I169 HydrophobicContact CD2-CB 4.46Å; F122-I169 HydrophobicContact CD2-CG1 4.4Å; F122-I169 HydrophobicContact CD2-CG2 3.67Å; F122-I169 HydrophobicContact CE2-CG2 4.02Å; F122-I169 HydrophobicContact CG-CB 4.46Å; F122-I169 HydrophobicContact CG-CG1 3.97Å; F122-I169 HydrophobicContact CG-CG2 4.11Å; S165-I169 WeakPolarHBondContact O-CD1 3.29Å; S165-I169 VanDerWaalsContact O-CG1 3.26Å; S165-I169 WeakPolarHBondContact O-CG1 3.5Å; S165-I169 PolarHBondContact O-N 2.75Å; S166-I169 PolarHBondContact O-N 3.45Å; V167-I169 VanDerWaalsContact C-N 3.27Å; V167-I169 PolarHBondContact O-N 2.9Å; I169-R173 WeakPolarHBondContact O-CB 3.1Å; I169-R173 PolarHBondContact O-N 3.47Å; I169-L333 HydrophobicContact CG2-CD1 4.17Å; I169-L333 HydrophobicContact CG2-CD2 3.82Å; I169-L333 HydrophobicContact CG2-CG 4.46Å
170	S	97.6	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-40.9	-179.3	-68.9	0	0	0	0	112.6	S166 V167 T174 Y190 K209 L212 R236	S166-S170 WeakPolarHBondContact O-CB 3.49Å; S166-S170 PolarHBondContact O-N 3.32Å; S166-S170 PolarHBondContact O-OG 3.26Å; S166-S170 VanDerWaalsContact O-OG 3.1Å; V167-S170 PolarHBondContact O-N 2.93Å; V167-S170 VanDerWaalsContact O-N 3.09Å; S170-T174 VanDerWaalsContact O-CB 3.27Å; S170-T174 WeakPolarHBondContact O-CB 3.3Å; S170-T174 PolarHBondContact O-N 3.08Å; S170-T174 PolarHBondContact O-OG1 3.18Å; S170-Y190 WeakPolarHBondContact CB-OH 3.42Å; S170-K209 PolarHBondContact OG-O 2.98Å; S170-L212 WeakPolarHBondContact O-CD2 3.41Å; S170-R236 PolarHBondContact OG-NH1 3.33Å; S170-R236 VanDerWaalsContact OG-NH1 3.15Å; S170-R236 PolarHBondContact OG-NH2 3.21Å
171	S	96.1	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-50	179.1	-58	0	0	0	0	111.1	V167 R173 T174 L175 Y190	V167-S171 WeakPolarHBondContact O-CB 3.39Å; V167-S171 PolarHBondContact O-N 2.61Å; V167-S171 PolarHBondContact O-OG 3.25Å; S171-R173 PolarHBondContact O-N 2.92Å; S171-T174 PolarHBondContact O-N 2.93Å; S171-L175 PolarHBondContact O-N 3.48Å; S171-Y190 WeakPolarHBondContact OG-CD2 3.27Å; S171-Y190 WeakPolarHBondContact OG-CE2 3.21Å
172	L	95.4	Very high	93.3	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-44.3	177.5	-69.5	-179.5	0	0	0	111.6	M105 F122 L123 L154 I168 T174 L175 M176	M105-L172 HydrophobicContact SD-CD1 4.33Å; M105-L172 HydrophobicContact SD-CD2 4.24Å; F122-L172 HydrophobicContact CD1-CD1 4.34Å; F122-L172 HydrophobicContact CE1-CB 3.63Å; F122-L172 HydrophobicContact CE1-CD1 3.78Å; F122-L172 HydrophobicContact CE1-CG 4.4Å; F122-L172 HydrophobicContact CZ-CB 3.86Å; L123-L172 HydrophobicContact CD2-CD1 3.7Å; L154-L172 HydrophobicContact CD2-CD1 3.68Å; L154-L172 HydrophobicContact CD2-CD2 4.34Å; L154-L172 HydrophobicContact CD2-CG 4.29Å; I168-L172 HydrophobicContact CG2-CD1 4.1Å; I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 VanDerWaalsContact O-CG 3.31Å; I168-L172 WeakPolarHBondContact O-CG 3.14Å; I168-L172 PolarHBondContact O-N 2.92Å; L172-T174 VanDerWaalsContact C-N 3.32Å; L172-T174 PolarHBondContact O-N 3.31Å; L172-L175 PolarHBondContact O-N 3.37Å; L172-M176 VanDerWaalsContact O-CG 3.28Å; L172-M176 WeakPolarHBondContact O-CG 3.23Å; L172-M176 PolarHBondContact O-N 3.24Å
173	R	95.6	Very high	92.8	Very high	43 Å²	43	36.6 Å²	36.6	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-41.4	178.7	-175.4	57.6	179.4	153.5	3.7	111.9	F122 Y126 I169 S171 L175 M176 I177 L212 L333	F122-R173 HydrophobicContact CE2-CB 3.9Å; F122-R173 HydrophobicContact CZ-CB 4.04Å; Y126-R173 VanDerWaalsContact OH-CZ 3.32Å; Y126-R173 PolarHBondContact OH-NE 2.91Å; I169-R173 WeakPolarHBondContact O-CB 3.1Å; I169-R173 PolarHBondContact O-N 3.47Å; S171-R173 PolarHBondContact O-N 2.92Å; R173-L175 VanDerWaalsContact C-N 3.35Å; R173-M176 PolarHBondContact O-N 2.75Å; R173-I177 HydrophobicContact CG-CD1 3.97Å; R173-I177 WeakPolarHBondContact O-CD1 3.34Å; R173-I177 WeakPolarHBondContact O-CG1 3.18Å; R173-I177 PolarHBondContact O-N 2.96Å; R173-L212 HydrophobicContact CB-CD2 4Å; R173-L212 HydrophobicContact CG-CD1 3.74Å; R173-L212 HydrophobicContact CG-CD2 4.14Å; R173-L333 HydrophobicContact CB-CD1 4.3Å; R173-L333 HydrophobicContact CB-CD2 4.44Å; R173-L333 HydrophobicContact CG-CD1 4.12Å; R173-L333 HydrophobicContact CG-CD2 4.22Å
174	T	94.9	Very high	92.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-46.5	175.2	-62.4	0	0	0	0	110.8	S170 S171 L172 M176 I177 N178 V186 Y190 M213 L214	S170-T174 VanDerWaalsContact O-CB 3.27Å; S170-T174 WeakPolarHBondContact O-CB 3.3Å; S170-T174 PolarHBondContact O-N 3.08Å; S170-T174 PolarHBondContact O-OG1 3.18Å; S171-T174 PolarHBondContact O-N 2.93Å; L172-T174 VanDerWaalsContact C-N 3.32Å; L172-T174 PolarHBondContact O-N 3.31Å; T174-M176 PolarHBondContact O-N 3.17Å; T174-I177 PolarHBondContact O-N 3.03Å; T174-N178 WeakPolarHBondContact O-CB 3.38Å; T174-N178 PolarHBondContact O-N 3.18Å; T174-V186 HydrophobicContact CG2-CG1 4.04Å; T174-V186 HydrophobicContact CG2-CG2 4.06Å; T174-Y190 PolarHBondContact OG1-OH 3.23Å; T174-M213 HydrophobicContact CG2-CB 3.88Å; T174-M213 WeakPolarHBondContact CG2-O 3.33Å; T174-M213 PolarHBondContact OG1-N 3.14Å; T174-M213 VanDerWaalsContact OG1-N 3.16Å; T174-L214 HydrophobicContact CG2-CD2 4.3Å
175	L	92.9	Very high	92.1	Very high	30 Å²	30	40.2 Å²	40.2	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-40.4	179.1	-178	67.1	0	0	0	112.5	L103 S171 L172 R173 I177 N178 K181 L183	L103-L175 HydrophobicContact CD1-CD2 3.86Å; S171-L175 PolarHBondContact O-N 3.48Å; L172-L175 PolarHBondContact O-N 3.37Å; R173-L175 VanDerWaalsContact C-N 3.35Å; L175-I177 VanDerWaalsContact C-N 3.28Å; L175-I177 PolarHBondContact O-N 2.82Å; L175-N178 CarbonylContact O-C 3.55Å; L175-N178 VanDerWaalsContact O-C 3.29Å; L175-K181 WeakPolarHBondContact CD1-O 3.31Å; L175-L183 HydrophobicContact CD2-CB 4.19Å; L175-L183 HydrophobicContact CD2-CD1 4.2Å
176	M	91.2	Very high	91.7	Very high	54 Å²	54	40 Å²	40	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-33.4	178.5	-69.5	176.1	76.8	0	0	113.1	F122 Y126 L128 L172 R173 T174	F122-M176 HydrophobicContact CZ-SD 4.15Å; Y126-M176 HydrophobicContact CD1-CE 3.55Å; Y126-M176 HydrophobicContact CD1-SD 4.24Å; Y126-M176 HydrophobicContact CD2-SD 4.49Å; Y126-M176 HydrophobicContact CE1-CE 4.31Å; Y126-M176 HydrophobicContact CG-CE 3.81Å; Y126-M176 HydrophobicContact CG-SD 4.1Å; L128-M176 HydrophobicContact CD1-SD 4Å; L128-M176 HydrophobicContact CD2-CE 4.26Å; L128-M176 HydrophobicContact CD2-SD 4.46Å; L172-M176 VanDerWaalsContact O-CG 3.28Å; L172-M176 WeakPolarHBondContact O-CG 3.23Å; L172-M176 PolarHBondContact O-N 3.24Å; R173-M176 PolarHBondContact O-N 2.75Å; T174-M176 PolarHBondContact O-N 3.17Å
177	I	92.3	Very high	91.4	Very high	41 Å²	41	42 Å²	42	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-85.3	-43	179.6	-62.5	157.9	0	0	0	110.5	R173 T174 L175 L212 L214 Q218 V222	R173-I177 HydrophobicContact CG-CD1 3.97Å; R173-I177 WeakPolarHBondContact O-CD1 3.34Å; R173-I177 WeakPolarHBondContact O-CG1 3.18Å; R173-I177 PolarHBondContact O-N 2.96Å; T174-I177 PolarHBondContact O-N 3.03Å; L175-I177 VanDerWaalsContact C-N 3.28Å; L175-I177 PolarHBondContact O-N 2.82Å; I177-L212 HydrophobicContact CD1-CD1 4.39Å; I177-L214 HydrophobicContact CB-CD2 3.79Å; I177-L214 HydrophobicContact CD1-CD1 3.87Å; I177-L214 HydrophobicContact CD1-CD2 3.89Å; I177-L214 HydrophobicContact CG1-CD2 4.48Å; I177-L214 HydrophobicContact CG2-CD1 4.48Å; I177-L214 HydrophobicContact CG2-CD2 3.7Å; I177-Q218 HydrophobicContact CG2-CB 4.03Å; I177-Q218 HydrophobicContact CG2-CG 4.07Å; I177-V222 HydrophobicContact CD1-CG2 3.69Å; I177-V222 HydrophobicContact CG1-CG2 4.24Å; I177-V222 HydrophobicContact CG2-CG2 4.3Å
178	N	90.3	Very high	91.1	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.059	24%	0.237	C	C	.	.			trans	-105.9	86.2	-179.7	-169.2	-22.2	0	0	0	110.3	T174 L175 E180 K181 Q218	T174-N178 WeakPolarHBondContact O-CB 3.38Å; T174-N178 PolarHBondContact O-N 3.18Å; L175-N178 CarbonylContact O-C 3.55Å; L175-N178 VanDerWaalsContact O-C 3.29Å; N178-E180 PolarHBondContact O-N 3.08Å; N178-E180 PolarHBondContact OD1-N 3.1Å; N178-K181 PolarHBondContact O-N 2.9Å; N178-K181 PolarHBondContact OD1-N 3.47Å; N178-Q218 PolarHBondContact ND2-OE1 3.43Å
179	K	82.8	Confident	90.7	Very high	187 Å²	187	50.2 Å²	50.2	81%	0.813	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-10	-179.3	-62.2	-175.6	179.3	-178.4	0	114.1
180	E	82.3	Confident	90.5	Very high	184 Å²	184	50.2 Å²	50.2	86%	0.86	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-25.7	-179.5	-61.3	174.4	-178.2	0	0	112.3	N178	N178-E180 PolarHBondContact O-N 3.08Å; N178-E180 PolarHBondContact OD1-N 3.1Å
181	K	83.3	Confident	90.3	Very high	73 Å²	73	53.1 Å²	53.1	32%	0.317	27%	0.269	S	S	.	.	S	Bend	trans	-83.2	139.1	-179.2	-71.5	-174.9	177.6	180	0	110.9	L175 N178 V186 M213	L175-K181 WeakPolarHBondContact CD1-O 3.31Å; N178-K181 PolarHBondContact O-N 2.9Å; N178-K181 PolarHBondContact OD1-N 3.47Å; K181-V186 HydrophobicContact CB-CG2 3.9Å; K181-V186 HydrophobicContact CD-CG2 4.19Å; K181-M213 PolarHBondContact NZ-O 3.24Å; K181-M213 VanDerWaalsContact NZ-O 3.13Å
182	S	88.1	Confident	90.1	Very high	53 Å²	53	57.5 Å²	57.5	37%	0.371	29%	0.289	S	S	.	.			trans	-72.6	153	168.2	80.3	0	0	0	0	110.4	S184 D185 V186	S182-S184 PolarHBondContact O-N 2.76Å; S182-D185 WeakPolarHBondContact CB-OD2 3.16Å; S182-D185 PolarHBondContact N-OD2 2.88Å; S182-D185 PolarHBondContact O-N 2.8Å; S182-D185 PolarHBondContact OG-N 3.32Å; S182-D185 PolarHBondContact OG-OD2 3.23Å; S182-V186 WeakPolarHBondContact O-CG2 3.2Å; S182-V186 PolarHBondContact O-N 2.97Å
183	L	86.1	Confident	89.8	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-34	175	-179.4	57.4	0	0	0	111.7	V156 L160 L162 L175 V186 I187	V156-L183 HydrophobicContact CB-CD2 3.68Å; V156-L183 HydrophobicContact CG1-CD2 3.71Å; V156-L183 HydrophobicContact CG2-CD2 3.64Å; L160-L183 HydrophobicContact CB-CD2 4.49Å; L160-L183 HydrophobicContact CD1-CB 4Å; L160-L183 HydrophobicContact CD1-CD2 3.88Å; L160-L183 HydrophobicContact CD1-CG 4.01Å; L162-L183 HydrophobicContact CD1-CD1 4.49Å; L162-L183 HydrophobicContact CD1-CD2 4.13Å; L162-L183 HydrophobicContact CD2-CD1 4.26Å; L175-L183 HydrophobicContact CD2-CB 4.19Å; L175-L183 HydrophobicContact CD2-CD1 4.2Å; L183-V186 PolarHBondContact O-N 3.19Å; L183-I187 HydrophobicContact CD1-CD1 4.33Å; L183-I187 HydrophobicContact CD1-CG1 4.38Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 WeakPolarHBondContact O-CD1 3.19Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.44Å; L183-I187 PolarHBondContact O-N 2.68Å
184	S	87.6	Confident	89.5	Confident	46 Å²	46	66.3 Å²	66.3	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-59.4	-49.9	175.2	-172.1	0	0	0	0	111.2	S182 V186 I187 H188	S182-S184 PolarHBondContact O-N 2.76Å; S184-V186 VanDerWaalsContact C-N 3.28Å; S184-V186 PolarHBondContact O-N 3.26Å; S184-I187 PolarHBondContact O-N 3.1Å; S184-I187 VanDerWaalsContact O-N 3.13Å; S184-H188 PolarHBondContact O-N 2.85Å; S184-H188 PolarHBondContact O-ND1 2.96Å
185	D	89.4	Confident	89.2	Confident	87 Å²	87	68.9 Å²	68.9	47%	0.465	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-38.3	-179.7	-57.3	-41.6	0	0	0	111.9	S182 H188 C189	S182-D185 WeakPolarHBondContact CB-OD2 3.16Å; S182-D185 PolarHBondContact N-OD2 2.88Å; S182-D185 PolarHBondContact O-N 2.8Å; S182-D185 PolarHBondContact OG-N 3.32Å; S182-D185 PolarHBondContact OG-OD2 3.23Å; D185-H188 PolarHBondContact O-N 2.76Å; D185-C189 PolarHBondContact O-SG 3.15Å
186	V	89.9	Confident	88.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-41.2	177.3	175.7	0	0	0	0	110.9	T174 K181 S182 L183 S184 H188 C189 Y190	T174-V186 HydrophobicContact CG2-CG1 4.04Å; T174-V186 HydrophobicContact CG2-CG2 4.06Å; K181-V186 HydrophobicContact CB-CG2 3.9Å; K181-V186 HydrophobicContact CD-CG2 4.19Å; S182-V186 WeakPolarHBondContact O-CG2 3.2Å; S182-V186 PolarHBondContact O-N 2.97Å; L183-V186 PolarHBondContact O-N 3.19Å; S184-V186 VanDerWaalsContact C-N 3.28Å; S184-V186 PolarHBondContact O-N 3.26Å; V186-H188 VanDerWaalsContact C-N 3.33Å; V186-H188 PolarHBondContact O-N 3.31Å; V186-C189 VanDerWaalsContact O-CB 3.3Å; V186-C189 WeakPolarHBondContact O-CB 3.25Å; V186-C189 PolarHBondContact O-N 2.89Å; V186-C189 VanDerWaalsContact O-N 3.15Å; V186-Y190 HydrophobicContact CG1-CE2 3.84Å; V186-Y190 WeakPolarHBondContact O-CD2 3.27Å; V186-Y190 VanDerWaalsContact O-CE2 3.31Å; V186-Y190 WeakPolarHBondContact O-CE2 3.3Å
187	I	89.6	Confident	88.7	Confident	43 Å²	43	71.8 Å²	71.8	22%	0.221	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-39.2	178.7	-68.7	163.4	0	0	0	111.4	L162 L183 S184 C189 Y190	L162-I187 HydrophobicContact CD1-CD1 3.8Å; L162-I187 HydrophobicContact CD2-CD1 4.45Å; L162-I187 HydrophobicContact CD2-CG1 4.31Å; L162-I187 HydrophobicContact CG-CD1 3.82Å; L162-I187 HydrophobicContact CG-CG1 4.06Å; L183-I187 HydrophobicContact CD1-CD1 4.33Å; L183-I187 HydrophobicContact CD1-CG1 4.38Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 WeakPolarHBondContact O-CD1 3.19Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.44Å; L183-I187 PolarHBondContact O-N 2.68Å; S184-I187 PolarHBondContact O-N 3.1Å; S184-I187 VanDerWaalsContact O-N 3.13Å; I187-C189 PolarHBondContact O-N 2.65Å; I187-C189 VanDerWaalsContact O-N 3.11Å; I187-Y190 PolarHBondContact O-N 2.6Å
188	H	91.2	Very high	88.3	Confident	139 Å²	139	78.2 Å²	78.2	64%	0.644	40%	0.404	S	S	*	.	H	α-helix	trans	-60.4	-23.1	177.6	-72.3	86.4	0	0	0	113.1	S184 D185 V186 Y190	S184-H188 PolarHBondContact O-N 2.85Å; S184-H188 PolarHBondContact O-ND1 2.96Å; D185-H188 PolarHBondContact O-N 2.76Å; V186-H188 VanDerWaalsContact C-N 3.33Å; V186-H188 PolarHBondContact O-N 3.31Å; H188-Y190 PolarHBondContact O-N 2.83Å
189	C	91	Very high	87.8	Confident	41 Å²	41	86.7 Å²	86.7	28%	0.277	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9	176.3	-56.4	0	0	0	0	113.4	D185 V186 I187 P191 N208 M213	D185-C189 PolarHBondContact O-SG 3.15Å; V186-C189 VanDerWaalsContact O-CB 3.3Å; V186-C189 WeakPolarHBondContact O-CB 3.25Å; V186-C189 PolarHBondContact O-N 2.89Å; V186-C189 VanDerWaalsContact O-N 3.15Å; I187-C189 PolarHBondContact O-N 2.65Å; I187-C189 VanDerWaalsContact O-N 3.11Å; C189-P191 VanDerWaalsContact O-CD 3.3Å; C189-P191 WeakPolarHBondContact O-CD 3.21Å; C189-N208 PolarHBondContact O-ND2 2.77Å; C189-M213 HydrophobicContact CB-CB 4.49Å; C189-M213 HydrophobicContact CB-CE 3.89Å; C189-M213 HydrophobicContact CB-CG 3.59Å; C189-M213 HydrophobicContact CB-SD 4.01Å; C189-M213 WeakPolarHBondContact O-CE 3.22Å
190	Y	93.4	Very high	87.8	Confident	6 Å²	6	80.8 Å²	80.8	2%	0.024	43%	0.427	C	S	.	.	S	Bend	trans	-118.8	64.7	179	-56.1	-78.6	0	0	0	111.3	V167 S170 S171 T174 V186 I187 H188 N208 W211 M213	V167-Y190 HydrophobicContact CG1-CD2 4.23Å; V167-Y190 HydrophobicContact CG1-CG 3.93Å; S170-Y190 WeakPolarHBondContact CB-OH 3.42Å; S171-Y190 WeakPolarHBondContact OG-CD2 3.27Å; S171-Y190 WeakPolarHBondContact OG-CE2 3.21Å; T174-Y190 PolarHBondContact OG1-OH 3.23Å; V186-Y190 HydrophobicContact CG1-CE2 3.84Å; V186-Y190 WeakPolarHBondContact O-CD2 3.27Å; V186-Y190 VanDerWaalsContact O-CE2 3.31Å; V186-Y190 WeakPolarHBondContact O-CE2 3.3Å; I187-Y190 PolarHBondContact O-N 2.6Å; H188-Y190 PolarHBondContact O-N 2.83Å; Y190-N208 HydrophobicContact CD1-CB 4.15Å; Y190-N208 HydrophobicContact CE1-CB 4.33Å; Y190-N208 WeakPolarHBondContact CE1-O 3.37Å; Y190-W211 VanDerWaalsContact CE1-O 3.27Å; Y190-W211 WeakPolarHBondContact CE1-O 3.49Å; Y190-W211 PolarHBondContact OH-O 2.82Å; Y190-M213 HydrophobicContact CE1-CE 4.14Å; Y190-M213 HydrophobicContact CE2-CG 4.26Å
191	P	92.4	Very high	87.9	Confident	60 Å²	60	77.1 Å²	77.1	39%	0.39	41%	0.409	S	S	.	.			trans	-66.6	145.8	-173.4	28	-35.2	0	0	0	112.4	C189 N207	C189-P191 VanDerWaalsContact O-CD 3.3Å; C189-P191 WeakPolarHBondContact O-CD 3.21Å; P191-N207 HydrophobicContact CG-CB 4.24Å; P191-N207 PolarHBondContact O-N 2.83Å
192	E	91.9	Very high	88.1	Confident	92 Å²	92	79.4 Å²	79.4	43%	0.43	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.6	171.6	-165.4	-176.8	148.5	0	0	110.3	K194 T204 Y206	E192-K194 WeakPolarHBondContact OE1-CE 3.35Å; E192-T204 HydrophobicContact CG-CG2 3.21Å; E192-T204 WeakPolarHBondContact OE1-CG2 3.26Å; E192-T204 PolarHBondContact OE1-OG1 2.73Å; E192-Y206 HydrophobicContact CB-CD1 4.44Å; E192-Y206 HydrophobicContact CB-CE1 3.99Å; E192-Y206 HydrophobicContact CG-CE1 4.13Å
193	M	90.1	Very high	88	Confident	94 Å²	94	78.6 Å²	78.6	46%	0.463	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.9	174.3	-70.8	-106	-66	0	0	109.4	T204 E205 N207	M193-T204 CarbonylContact O-C 3.24Å; M193-T204 WeakPolarHBondContact O-CA 3.17Å; M193-E205 PolarHBondContact N-O 3.23Å; M193-E205 PolarHBondContact O-N 3.48Å; M193-N207 VanDerWaalsContact CG-ND2 3.3Å; M193-N207 WeakPolarHBondContact CG-ND2 3.21Å; M193-N207 PolarHBondContact SD-ND2 3.36Å
194	K	89.3	Confident	88.1	Confident	140 Å²	140	79.6 Å²	79.6	61%	0.609	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.8	174.9	-67.7	170.2	171.2	-166.4	0	108.3	E192 E202	E192-K194 WeakPolarHBondContact OE1-CE 3.35Å; K194-E202 HydrophobicContact CB-CG 4.49Å; K194-E202 WeakPolarHBondContact CD-OE1 3.4Å
195	S	87.6	Confident	88.1	Confident	53 Å²	53	82.8 Å²	82.8	37%	0.371	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.1	173.6	65.1	0	0	0	0	109.9	E202 V203	S195-E202 CarbonylContact O-C 3.54Å; S195-E202 WeakPolarHBondContact O-CA 3.26Å; S195-V203 PolarHBondContact N-O 3.11Å; S195-V203 PolarHBondContact O-N 2.92Å; S195-V203 PolarHBondContact OG-O 3.47Å
196	V	87.8	Confident	88.2	Confident	102 Å²	102	79.7 Å²	79.7	62%	0.618	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.9	170.5	-177.6	0	0	0	0	106.7	G200	V196-G200 VanDerWaalsContact CG1-C 3.46Å
197	N	86.3	Confident	88.2	Confident	44 Å²	44	82.5 Å²	82.5	24%	0.235	43%	0.427	C	S	.	.			trans	-73.1	169.9	177.1	69.3	16.4	0	0	0	111.7	R199 G200 K201 V203	N197-R199 PolarHBondContact O-N 3.29Å; N197-R199 WeakPolarHBondContact OD1-CA 3.45Å; N197-R199 WeakPolarHBondContact OD1-CB 3.39Å; N197-R199 PolarHBondContact OD1-N 3.43Å; N197-G200 PolarHBondContact O-N 2.91Å; N197-G200 PolarHBondContact OD1-N 3.47Å; N197-K201 VanDerWaalsContact CG-O 3.32Å; N197-K201 PolarHBondContact N-O 3.24Å; N197-K201 WeakPolarHBondContact OD1-CB 3.46Å; N197-K201 PolarHBondContact OD1-N 3.46Å; N197-K201 PolarHBondContact OD1-O 2.91Å; N197-V203 HydrophobicContact CB-CG2 4.02Å
198	D	83.3	Confident	88.4	Confident	176 Å²	176	84.6 Å²	84.6	94%	0.941	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.6	178.8	-46.1	-29.6	0	0	0	114.4
199	R	80.8	Confident	88.5	Confident	189 Å²	189	80.2 Å²	80.2	71%	0.713	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	13.6	177.4	-66.7	-175.5	-92	-154.9	-12.4	113	N197 K201	N197-R199 PolarHBondContact O-N 3.29Å; N197-R199 WeakPolarHBondContact OD1-CA 3.45Å; N197-R199 WeakPolarHBondContact OD1-CB 3.39Å; N197-R199 PolarHBondContact OD1-N 3.43Å; R199-K201 PolarHBondContact O-N 3.41Å
200	G	82.1	Confident	88.8	Confident	62 Å²	62	79 Å²	79	64%	0.639	41%	0.407	S	S	*	.	S	Bend	trans	70.3	14.9	179.2	0	0	0	0	0	114.2	V196 N197	V196-G200 VanDerWaalsContact CG1-C 3.46Å; N197-G200 PolarHBondContact O-N 2.91Å; N197-G200 PolarHBondContact OD1-N 3.47Å
201	K	85.4	Confident	88.9	Confident	108 Å²	108	83.2 Å²	83.2	47%	0.47	42%	0.423	S	S	.	.			trans	-100.9	128.6	-178.3	179.4	-171.5	174.3	-169	0	110.2	N197 R199 V203	N197-K201 VanDerWaalsContact CG-O 3.32Å; N197-K201 PolarHBondContact N-O 3.24Å; N197-K201 WeakPolarHBondContact OD1-CB 3.46Å; N197-K201 PolarHBondContact OD1-N 3.46Å; N197-K201 PolarHBondContact OD1-O 2.91Å; R199-K201 PolarHBondContact O-N 3.41Å; K201-V203 PolarHBondContact O-N 3.36Å
202	E	87.3	Confident	89.1	Confident	120 Å²	120	80.5 Å²	80.5	56%	0.561	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	124.8	170.4	-164.2	-177.5	-176.1	0	0	110.8	K194 S195	K194-E202 HydrophobicContact CB-CG 4.49Å; K194-E202 WeakPolarHBondContact CD-OE1 3.4Å; S195-E202 CarbonylContact O-C 3.54Å; S195-E202 WeakPolarHBondContact O-CA 3.26Å
203	V	86.1	Confident	89.2	Confident	36 Å²	36	77.6 Å²	77.6	22%	0.218	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.8	177.1	-174.6	0	0	0	0	107.6	S195 N197 K201 E205	S195-V203 PolarHBondContact N-O 3.11Å; S195-V203 PolarHBondContact O-N 2.92Å; S195-V203 PolarHBondContact OG-O 3.47Å; N197-V203 HydrophobicContact CB-CG2 4.02Å; K201-V203 PolarHBondContact O-N 3.36Å; V203-E205 HydrophobicContact CG1-CG 3.96Å
204	T	87.5	Confident	89.3	Confident	34 Å²	34	74.2 Å²	74.2	21%	0.209	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122	165.3	-65.3	0	0	0	0	109.5	E192 M193 Y206	E192-T204 HydrophobicContact CG-CG2 3.21Å; E192-T204 WeakPolarHBondContact OE1-CG2 3.26Å; E192-T204 PolarHBondContact OE1-OG1 2.73Å; M193-T204 CarbonylContact O-C 3.24Å; M193-T204 WeakPolarHBondContact O-CA 3.17Å; T204-Y206 HydrophobicContact CG2-CE2 3.9Å
205	E	88.8	Confident	89.5	Confident	113 Å²	113	70.2 Å²	70.2	53%	0.528	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	161.3	167.9	-62.1	-171.6	175.2	0	0	110	M193 V203	M193-E205 PolarHBondContact N-O 3.23Å; M193-E205 PolarHBondContact O-N 3.48Å; V203-E205 HydrophobicContact CG1-CG 3.96Å
206	Y	91.4	Very high	89.7	Confident	22 Å²	22	76.3 Å²	76.3	9%	0.086	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.2	178.6	-69.8	-89.8	0	0	0	109	Y148 N163 D164 V167 E192 T204	Y148-Y206 HydrophobicContact CE2-CE2 4.32Å; N163-Y206 WeakPolarHBondContact CB-OH 3.18Å; D164-Y206 HydrophobicContact CB-CD2 3.59Å; D164-Y206 HydrophobicContact CB-CE2 3.68Å; D164-Y206 HydrophobicContact CB-CG 4.36Å; V167-Y206 HydrophobicContact CG2-CD1 4.14Å; V167-Y206 HydrophobicContact CG2-CD2 4.34Å; V167-Y206 HydrophobicContact CG2-CG 3.75Å; E192-Y206 HydrophobicContact CB-CD1 4.44Å; E192-Y206 HydrophobicContact CB-CE1 3.99Å; E192-Y206 HydrophobicContact CG-CE1 4.13Å; T204-Y206 HydrophobicContact CG2-CE2 3.9Å
207	N	89.1	Confident	89.9	Confident	59 Å²	59	75.1 Å²	75.1	32%	0.316	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	151	175.8	-76.4	-11.8	0	0	0	110.3	P191 M193 K209	P191-N207 HydrophobicContact CG-CB 4.24Å; P191-N207 PolarHBondContact O-N 2.83Å; M193-N207 VanDerWaalsContact CG-ND2 3.3Å; M193-N207 WeakPolarHBondContact CG-ND2 3.21Å; M193-N207 PolarHBondContact SD-ND2 3.36Å; N207-K209 PolarHBondContact O-N 2.89Å
208	N	92.8	Very high	90.2	Very high	87 Å²	87	74.9 Å²	74.9	47%	0.465	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	12.1	176.6	-50.9	-36.8	0	0	0	114.8	C189 Y190 Y210 W211 M213	C189-N208 PolarHBondContact O-ND2 2.77Å; Y190-N208 HydrophobicContact CD1-CB 4.15Å; Y190-N208 HydrophobicContact CE1-CB 4.33Å; Y190-N208 WeakPolarHBondContact CE1-O 3.37Å; N208-Y210 PolarHBondContact O-N 2.64Å; N208-W211 HydrophobicContact CB-CB 4.19Å; N208-W211 WeakPolarHBondContact O-CB 3.43Å; N208-W211 PolarHBondContact O-N 3.18Å; N208-M213 HydrophobicContact CB-CE 3.45Å; N208-M213 VanDerWaalsContact CB-CE 3.45Å
209	K	94.8	Very high	90.7	Very high	46 Å²	46	67.9 Å²	67.9	20%	0.2	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-21.9	-173.2	61.2	171.2	168	161.3	0	115.4	S166 V167 S170 N207	S166-K209 CarbonylContact C-O 3.31Å; V167-K209 HydrophobicContact CG2-CB 3.61Å; S170-K209 PolarHBondContact OG-O 2.98Å; N207-K209 PolarHBondContact O-N 2.89Å
210	Y	97	Very high	91.2	Very high	17 Å²	17	61.8 Å²	61.8	7%	0.067	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-4.7	176.1	-52.3	-57.7	0	0	0	114.2	S166 N208 M233 R236 Q237 D240	S166-Y210 WeakPolarHBondContact OG-CE1 3.48Å; N208-Y210 PolarHBondContact O-N 2.64Å; Y210-M233 WeakPolarHBondContact O-CG 3.29Å; Y210-R236 HydrophobicContact CD1-CB 3.65Å; Y210-R236 HydrophobicContact CE1-CB 4.11Å; Y210-R236 HydrophobicContact CG-CB 4.28Å; Y210-R236 PolarHBondContact O-NH1 2.85Å; Y210-Q237 HydrophobicContact CD2-CB 3.87Å; Y210-Q237 HydrophobicContact CD2-CG 4.38Å; Y210-Q237 HydrophobicContact CE2-CB 3.47Å; Y210-Q237 VanDerWaalsContact CE2-CB 3.47Å; Y210-Q237 HydrophobicContact CE2-CG 3.65Å; Y210-Q237 VanDerWaalsContact CZ-CA 3.49Å; Y210-D240 WeakPolarHBondContact OH-CB 2.98Å; Y210-D240 PolarHBondContact OH-OD2 2.87Å
211	W	95.9	Very high	91.7	Very high	94 Å²	94	62.7 Å²	62.7	36%	0.356	34%	0.341	S	S	.	.			trans	-93.7	136.3	-179.5	-172.7	-88.2	0	0	0	111.2	Y190 N208 Q229 M233	Y190-W211 VanDerWaalsContact CE1-O 3.27Å; Y190-W211 WeakPolarHBondContact CE1-O 3.49Å; Y190-W211 PolarHBondContact OH-O 2.82Å; N208-W211 HydrophobicContact CB-CB 4.19Å; N208-W211 WeakPolarHBondContact O-CB 3.43Å; N208-W211 PolarHBondContact O-N 3.18Å; W211-Q229 VanDerWaalsContact CH2-NE2 3.32Å; W211-Q229 VanDerWaalsContact CH2-OE1 3.29Å; W211-Q229 HydrophobicContact CZ3-CG 4.48Å; W211-M233 HydrophobicContact CB-CE 4.39Å; W211-M233 HydrophobicContact CD2-SD 4.43Å; W211-M233 HydrophobicContact CE3-CE 3.64Å; W211-M233 HydrophobicContact CE3-SD 3.37Å; W211-M233 HydrophobicContact CZ3-CE 4.37Å; W211-M233 HydrophobicContact CZ3-SD 3.76Å
212	L	95.6	Very high	92	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	33%	0.33	C	S	.	.			trans	-93.2	130.8	173	-60.1	-174.2	0	0	0	110.4	S170 R173 I177 L214 Y223 L333	S170-L212 WeakPolarHBondContact O-CD2 3.41Å; R173-L212 HydrophobicContact CB-CD2 4Å; R173-L212 HydrophobicContact CG-CD1 3.74Å; R173-L212 HydrophobicContact CG-CD2 4.14Å; I177-L212 HydrophobicContact CD1-CD1 4.39Å; L212-L214 VanDerWaalsContact C-N 3.25Å; L212-L214 HydrophobicContact CB-CD1 3.94Å; L212-L214 HydrophobicContact CB-CG 3.83Å; L212-L214 HydrophobicContact CD1-CD1 4.21Å; L212-L214 PolarHBondContact O-N 3.43Å; L212-Y223 HydrophobicContact CD1-CE2 4.38Å; L212-Y223 VanDerWaalsContact CD1-OH 3.24Å; L212-Y223 WeakPolarHBondContact CD1-OH 3.33Å; L212-L333 HydrophobicContact CD1-CD1 4.05Å; L212-L333 HydrophobicContact CD2-CD1 3.84Å; L212-L333 HydrophobicContact CG-CD1 4.26Å
213	M	94	Very high	92.3	Very high	31 Å²	31	54.5 Å²	54.5	15%	0.153	31%	0.307	C	S	.	.			trans	-86.7	61.8	-172.4	-61.9	-66.7	175	0	0	112.3	T174 K181 C189 Y190 N208	T174-M213 HydrophobicContact CG2-CB 3.88Å; T174-M213 WeakPolarHBondContact CG2-O 3.33Å; T174-M213 PolarHBondContact OG1-N 3.14Å; T174-M213 VanDerWaalsContact OG1-N 3.16Å; K181-M213 PolarHBondContact NZ-O 3.24Å; K181-M213 VanDerWaalsContact NZ-O 3.13Å; C189-M213 HydrophobicContact CB-CB 4.49Å; C189-M213 HydrophobicContact CB-CE 3.89Å; C189-M213 HydrophobicContact CB-CG 3.59Å; C189-M213 HydrophobicContact CB-SD 4.01Å; C189-M213 WeakPolarHBondContact O-CE 3.22Å; Y190-M213 HydrophobicContact CE1-CE 4.14Å; Y190-M213 HydrophobicContact CE2-CG 4.26Å; N208-M213 HydrophobicContact CB-CE 3.45Å; N208-M213 VanDerWaalsContact CB-CE 3.45Å
214	L	93.3	Very high	92.5	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	33%	0.329	C	S	.	.			trans	-98.8	155.2	-174.1	-55.9	179.7	0	0	0	112.2	T174 I177 L212 Q218 T219 V222	T174-L214 HydrophobicContact CG2-CD2 4.3Å; I177-L214 HydrophobicContact CB-CD2 3.79Å; I177-L214 HydrophobicContact CD1-CD1 3.87Å; I177-L214 HydrophobicContact CD1-CD2 3.89Å; I177-L214 HydrophobicContact CG1-CD2 4.48Å; I177-L214 HydrophobicContact CG2-CD1 4.48Å; I177-L214 HydrophobicContact CG2-CD2 3.7Å; L212-L214 VanDerWaalsContact C-N 3.25Å; L212-L214 HydrophobicContact CB-CD1 3.94Å; L212-L214 HydrophobicContact CB-CG 3.83Å; L212-L214 HydrophobicContact CD1-CD1 4.21Å; L212-L214 PolarHBondContact O-N 3.43Å; L214-Q218 HydrophobicContact CB-CB 3.89Å; L214-Q218 HydrophobicContact CD2-CB 4.48Å; L214-T219 WeakPolarHBondContact CB-OG1 3.36Å; L214-V222 HydrophobicContact CD1-CB 4.44Å; L214-V222 HydrophobicContact CD1-CG2 4.12Å
215	S	92.5	Very high	92.6	Very high	55 Å²	55	58.8 Å²	58.8	39%	0.385	34%	0.34	S	S	.	.			trans	-71.2	168.7	167	71.3	0	0	0	0	111.3	A217 Q218 T219	S215-A217 VanDerWaalsContact C-N 3.34Å; S215-A217 PolarHBondContact O-N 3.08Å; S215-Q218 PolarHBondContact O-N 2.92Å; S215-Q218 WeakPolarHBondContact OG-CG 3.35Å; S215-Q218 PolarHBondContact OG-N 2.91Å; S215-Q218 PolarHBondContact OG-OE1 3.4Å; S215-T219 WeakPolarHBondContact O-CB 3.35Å; S215-T219 PolarHBondContact O-N 2.74Å; S215-T219 PolarHBondContact O-OG1 3.4Å
216	E	91.3	Very high	92.6	Very high	181 Å²	181	63.8 Å²	63.8	85%	0.846	36%	0.36	S	S	*	.	H	α-helix	trans	-59.6	-43.9	178.1	-65.7	-175.9	171.2	0	0	112.1	T219 A220	E216-T219 PolarHBondContact O-N 2.93Å; E216-A220 WeakPolarHBondContact O-CB 3.36Å; E216-A220 PolarHBondContact O-N 2.8Å
217	A	92.1	Very high	92.6	Very high	77 Å²	77	64.6 Å²	64.6	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-63.3	-43.9	177.4	0	0	0	0	0	112.3	S215 T219 A220 A221	S215-A217 VanDerWaalsContact C-N 3.34Å; S215-A217 PolarHBondContact O-N 3.08Å; A217-T219 VanDerWaalsContact C-N 3.35Å; A217-A220 PolarHBondContact O-N 3.21Å; A217-A221 PolarHBondContact O-N 2.73Å; A217-A221 VanDerWaalsContact O-N 3.08Å
218	Q	93.2	Very high	92.9	Very high	39 Å²	39	63.4 Å²	63.4	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-64.8	-40.1	176.1	-72.6	167.6	-14	0	0	111.5	I177 N178 L214 S215 A221 V222	I177-Q218 HydrophobicContact CG2-CB 4.03Å; I177-Q218 HydrophobicContact CG2-CG 4.07Å; N178-Q218 PolarHBondContact ND2-OE1 3.43Å; L214-Q218 HydrophobicContact CB-CB 3.89Å; L214-Q218 HydrophobicContact CD2-CB 4.48Å; S215-Q218 PolarHBondContact O-N 2.92Å; S215-Q218 WeakPolarHBondContact OG-CG 3.35Å; S215-Q218 PolarHBondContact OG-N 2.91Å; S215-Q218 PolarHBondContact OG-OE1 3.4Å; Q218-A221 PolarHBondContact O-N 3Å; Q218-V222 WeakPolarHBondContact O-CG2 3.3Å; Q218-V222 PolarHBondContact O-N 2.82Å
219	T	93.1	Very high	93	Very high	29 Å²	29	60.6 Å²	60.6	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-43.4	177.3	-58.2	0	0	0	0	110.8	L214 S215 E216 A217 A221 V222 Y223	L214-T219 WeakPolarHBondContact CB-OG1 3.36Å; S215-T219 WeakPolarHBondContact O-CB 3.35Å; S215-T219 PolarHBondContact O-N 2.74Å; S215-T219 PolarHBondContact O-OG1 3.4Å; E216-T219 PolarHBondContact O-N 2.93Å; A217-T219 VanDerWaalsContact C-N 3.35Å; T219-A221 VanDerWaalsContact C-N 3.3Å; T219-A221 PolarHBondContact O-N 3.49Å; T219-V222 PolarHBondContact O-N 3.1Å; T219-Y223 HydrophobicContact CG2-CD2 4.04Å; T219-Y223 WeakPolarHBondContact O-CA 3.48Å; T219-Y223 WeakPolarHBondContact O-CB 3.42Å; T219-Y223 PolarHBondContact O-N 2.69Å
220	A	92.5	Very high	93.1	Very high	62 Å²	62	66 Å²	66	51%	0.512	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-34	176.4	0	0	0	0	0	112.6	E216 A217 Y223 P224	E216-A220 WeakPolarHBondContact O-CB 3.36Å; E216-A220 PolarHBondContact O-N 2.8Å; A217-A220 PolarHBondContact O-N 3.21Å; A220-Y223 CarbonylContact O-C 3.57Å; A220-P224 VanDerWaalsContact O-CA 3.31Å; A220-P224 WeakPolarHBondContact O-CA 3.21Å
221	A	92.1	Very high	93.1	Very high	80 Å²	80	67.9 Å²	67.9	66%	0.661	39%	0.385	S	S	*	.	H	α-helix	trans	-70.2	-40.1	175.8	0	0	0	0	0	112.8	A217 Q218 T219	A217-A221 PolarHBondContact O-N 2.73Å; A217-A221 VanDerWaalsContact O-N 3.08Å; Q218-A221 PolarHBondContact O-N 3Å; T219-A221 VanDerWaalsContact C-N 3.3Å; T219-A221 PolarHBondContact O-N 3.49Å
222	V	91.9	Very high	93.2	Very high	38 Å²	38	63.7 Å²	63.7	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-81.2	-35.3	-178.8	177.7	0	0	0	0	112.1	I177 L214 Q218 T219 P224	I177-V222 HydrophobicContact CD1-CG2 3.69Å; I177-V222 HydrophobicContact CG1-CG2 4.24Å; I177-V222 HydrophobicContact CG2-CG2 4.3Å; L214-V222 HydrophobicContact CD1-CB 4.44Å; L214-V222 HydrophobicContact CD1-CG2 4.12Å; Q218-V222 WeakPolarHBondContact O-CG2 3.3Å; Q218-V222 PolarHBondContact O-N 2.82Å; T219-V222 PolarHBondContact O-N 3.1Å; V222-P224 WeakPolarHBondContact O-CD 3.27Å
223	Y	93.9	Very high	93.3	Very high	19 Å²	19	65.8 Å²	65.8	8%	0.075	38%	0.38	C	S	.	.			trans	-125.5	74.1	-177.4	-53.7	-72.8	0	0	0	110	L212 T219 A220 A225 M228 Q229 E232	L212-Y223 HydrophobicContact CD1-CE2 4.38Å; L212-Y223 VanDerWaalsContact CD1-OH 3.24Å; L212-Y223 WeakPolarHBondContact CD1-OH 3.33Å; T219-Y223 HydrophobicContact CG2-CD2 4.04Å; T219-Y223 WeakPolarHBondContact O-CA 3.48Å; T219-Y223 WeakPolarHBondContact O-CB 3.42Å; T219-Y223 PolarHBondContact O-N 2.69Å; A220-Y223 CarbonylContact O-C 3.57Å; Y223-A225 VanDerWaalsContact C-N 3.28Å; Y223-A225 PolarHBondContact O-N 3.49Å; Y223-M228 HydrophobicContact CD1-CB 4.01Å; Y223-Q229 HydrophobicContact CD1-CB 4.08Å; Y223-Q229 HydrophobicContact CD2-CB 3.85Å; Y223-Q229 HydrophobicContact CD2-CG 4Å; Y223-Q229 HydrophobicContact CE1-CB 4.3Å; Y223-Q229 HydrophobicContact CE2-CB 4.09Å; Y223-Q229 HydrophobicContact CE2-CG 3.8Å; Y223-Q229 HydrophobicContact CG-CB 3.83Å; Y223-Q229 HydrophobicContact CG-CG 4.45Å; Y223-E232 HydrophobicContact CE1-CB 4.42Å; Y223-E232 PolarHBondContact OH-OE1 2.9Å
224	P	89.4	Confident	93.5	Very high	105 Å²	105	70.8 Å²	70.8	68%	0.682	40%	0.401	S	S	*	.			trans	-66.9	-27.7	-174.2	25.6	-34.9	0	0	0	113.3	A220 V222 M228	A220-P224 VanDerWaalsContact O-CA 3.31Å; A220-P224 WeakPolarHBondContact O-CA 3.21Å; V222-P224 WeakPolarHBondContact O-CD 3.27Å; P224-M228 HydrophobicContact CG-SD 4.39Å
225	A	90.9	Very high	93.7	Very high	54 Å²	54	70.8 Å²	70.8	45%	0.446	40%	0.399	S	S	.	.	S	Bend	trans	-98.9	139.7	177.5	0	0	0	0	0	112.4	Y223 G227 M228	Y223-A225 VanDerWaalsContact C-N 3.28Å; Y223-A225 PolarHBondContact O-N 3.49Å; A225-G227 PolarHBondContact O-N 3.12Å; A225-M228 HydrophobicContact CB-CG 3.89Å; A225-M228 HydrophobicContact CB-SD 3.59Å; A225-M228 VanDerWaalsContact CB-SD 3.59Å; A225-M228 WeakPolarHBondContact O-CB 3.36Å; A225-M228 WeakPolarHBondContact O-CG 3.47Å; A225-M228 PolarHBondContact O-N 2.97Å
226	K	88.8	Confident	94	Very high	218 Å²	218	68.3 Å²	68.3	95%	0.948	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	127.5	178.4	-171.7	176.4	-178.2	177.3	0	110.5
227	G	91.4	Very high	94.3	Very high	39 Å²	39	64.2 Å²	64.2	40%	0.402	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-12.3	176.3	0	0	0	0	0	115.3	A225 Q229 K230 E231	A225-G227 PolarHBondContact O-N 3.12Å; G227-Q229 VanDerWaalsContact C-N 3.3Å; G227-Q229 PolarHBondContact O-N 3.04Å; G227-K230 PolarHBondContact O-N 3.02Å; G227-K230 VanDerWaalsContact O-N 3.14Å; G227-E231 WeakPolarHBondContact O-CB 3.41Å; G227-E231 PolarHBondContact O-N 3.12Å
228	M	94.4	Very high	94.6	Very high	35 Å²	35	62.8 Å²	62.8	17%	0.172	34%	0.34	C	S	.	.	H	α-helix	trans	-57.7	-41.2	177.8	-72.7	-178.1	73.3	0	0	112.6	Y223 P224 A225 E231 E232	Y223-M228 HydrophobicContact CD1-CB 4.01Å; P224-M228 HydrophobicContact CG-SD 4.39Å; A225-M228 HydrophobicContact CB-CG 3.89Å; A225-M228 HydrophobicContact CB-SD 3.59Å; A225-M228 VanDerWaalsContact CB-SD 3.59Å; A225-M228 WeakPolarHBondContact O-CB 3.36Å; A225-M228 WeakPolarHBondContact O-CG 3.47Å; A225-M228 PolarHBondContact O-N 2.97Å; M228-E231 PolarHBondContact O-N 2.95Å; M228-E232 WeakPolarHBondContact O-CB 3.46Å; M228-E232 PolarHBondContact O-N 3.21Å
229	Q	95.1	Very high	94.8	Very high	27 Å²	27	61 Å²	61	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-46.7	176.6	-172	-173.9	30.3	0	0	111.7	W211 Y223 G227 E231 E232 M233	W211-Q229 VanDerWaalsContact CH2-NE2 3.32Å; W211-Q229 VanDerWaalsContact CH2-OE1 3.29Å; W211-Q229 HydrophobicContact CZ3-CG 4.48Å; Y223-Q229 HydrophobicContact CD1-CB 4.08Å; Y223-Q229 HydrophobicContact CD2-CB 3.85Å; Y223-Q229 HydrophobicContact CD2-CG 4Å; Y223-Q229 HydrophobicContact CE1-CB 4.3Å; Y223-Q229 HydrophobicContact CE2-CB 4.09Å; Y223-Q229 HydrophobicContact CE2-CG 3.8Å; Y223-Q229 HydrophobicContact CG-CB 3.83Å; Y223-Q229 HydrophobicContact CG-CG 4.45Å; G227-Q229 VanDerWaalsContact C-N 3.3Å; G227-Q229 PolarHBondContact O-N 3.04Å; Q229-E231 VanDerWaalsContact C-N 3.34Å; Q229-E231 PolarHBondContact O-N 3.12Å; Q229-E232 PolarHBondContact O-N 2.9Å; Q229-M233 HydrophobicContact CG-SD 4.35Å; Q229-M233 WeakPolarHBondContact O-CB 3.26Å; Q229-M233 VanDerWaalsContact O-CG 3.22Å; Q229-M233 WeakPolarHBondContact O-CG 3.31Å; Q229-M233 PolarHBondContact O-N 3.39Å
230	K	96.3	Very high	94.9	Very high	161 Å²	161	60.1 Å²	60.1	70%	0.7	33%	0.326	S	S	*	.	H	α-helix	trans	-66.2	-37.7	178.8	-67.1	-173.3	179	-175.9	0	111.8	G227 K234	G227-K230 PolarHBondContact O-N 3.02Å; G227-K230 VanDerWaalsContact O-N 3.14Å; K230-K234 VanDerWaalsContact O-CB 3.32Å; K230-K234 WeakPolarHBondContact O-CB 3.43Å; K230-K234 PolarHBondContact O-N 3.2Å
231	E	97.1	Very high	95	Very high	55 Å²	55	60.9 Å²	60.9	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-49.3	175.5	179.3	169.7	-123	0	0	111	G227 M228 Q229 M233 K234 W235 K323 M326	G227-E231 WeakPolarHBondContact O-CB 3.41Å; G227-E231 PolarHBondContact O-N 3.12Å; M228-E231 PolarHBondContact O-N 2.95Å; Q229-E231 VanDerWaalsContact C-N 3.34Å; Q229-E231 PolarHBondContact O-N 3.12Å; E231-M233 PolarHBondContact O-N 3.36Å; E231-K234 PolarHBondContact O-N 2.97Å; E231-W235 PolarHBondContact O-N 3Å; E231-W235 VanDerWaalsContact O-N 3.08Å; E231-K323 IonicContact OE2-NZ 3.22Å; E231-K323 PolarHBondContact OE2-NZ 3.5Å; E231-M326 VanDerWaalsContact CD-SD 3.51Å; E231-M326 HydrophobicContact CG-CG 4.5Å; E231-M326 HydrophobicContact CG-SD 3.74Å
232	E	97.5	Very high	95.2	Very high	6 Å²	6	61 Å²	61	3%	0.028	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-49.7	176.1	-173.7	-170.1	76.8	0	0	111.1	Y223 M228 Q229 K234 W235 R236 N332 L333 A334	Y223-E232 HydrophobicContact CE1-CB 4.42Å; Y223-E232 PolarHBondContact OH-OE1 2.9Å; M228-E232 WeakPolarHBondContact O-CB 3.46Å; M228-E232 PolarHBondContact O-N 3.21Å; Q229-E232 PolarHBondContact O-N 2.9Å; E232-K234 VanDerWaalsContact C-N 3.34Å; E232-K234 PolarHBondContact O-N 3.1Å; E232-W235 PolarHBondContact O-N 3.31Å; E232-R236 HydrophobicContact CG-CG 4.27Å; E232-R236 VanDerWaalsContact O-CG 3.24Å; E232-R236 WeakPolarHBondContact O-CG 3.35Å; E232-R236 PolarHBondContact O-N 3.22Å; E232-N332 VanDerWaalsContact OE2-CB 3.26Å; E232-N332 WeakPolarHBondContact OE2-CB 3.41Å; E232-L333 HydrophobicContact CG-CB 4.13Å; E232-L333 WeakPolarHBondContact OE2-CB 3.44Å; E232-L333 PolarHBondContact OE2-N 3.1Å; E232-A334 HydrophobicContact CG-CB 3.93Å
233	M	97.8	Very high	95.5	Very high	48 Å²	48	59.3 Å²	59.3	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-56.6	-46.5	178.3	-73.3	174.5	69.2	0	0	112.7	Y210 W211 Q229 E231 W235 R236 Q237	Y210-M233 WeakPolarHBondContact O-CG 3.29Å; W211-M233 HydrophobicContact CB-CE 4.39Å; W211-M233 HydrophobicContact CD2-SD 4.43Å; W211-M233 HydrophobicContact CE3-CE 3.64Å; W211-M233 HydrophobicContact CE3-SD 3.37Å; W211-M233 HydrophobicContact CZ3-CE 4.37Å; W211-M233 HydrophobicContact CZ3-SD 3.76Å; Q229-M233 HydrophobicContact CG-SD 4.35Å; Q229-M233 WeakPolarHBondContact O-CB 3.26Å; Q229-M233 VanDerWaalsContact O-CG 3.22Å; Q229-M233 WeakPolarHBondContact O-CG 3.31Å; Q229-M233 PolarHBondContact O-N 3.39Å; E231-M233 PolarHBondContact O-N 3.36Å; M233-W235 VanDerWaalsContact C-N 3.31Å; M233-W235 PolarHBondContact O-N 2.97Å; M233-R236 PolarHBondContact O-N 2.91Å; M233-Q237 WeakPolarHBondContact O-CB 3.13Å; M233-Q237 PolarHBondContact O-N 2.67Å
234	K	98.1	Very high	95.6	Very high	136 Å²	136	58.7 Å²	58.7	59%	0.591	29%	0.293	S	S	*	.	H	α-helix	trans	-57.3	-45.9	178.4	175.5	-173.4	173.4	-175.4	0	110.9	K230 E231 E232 Q237 W238	K230-K234 VanDerWaalsContact O-CB 3.32Å; K230-K234 WeakPolarHBondContact O-CB 3.43Å; K230-K234 PolarHBondContact O-N 3.2Å; E231-K234 PolarHBondContact O-N 2.97Å; E232-K234 VanDerWaalsContact C-N 3.34Å; E232-K234 PolarHBondContact O-N 3.1Å; K234-Q237 PolarHBondContact O-N 3.45Å; K234-W238 WeakPolarHBondContact O-CB 3.43Å; K234-W238 PolarHBondContact O-N 3.38Å
235	W	98.4	Very high	95.9	Very high	23 Å²	23	55.2 Å²	55.2	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-76.9	-31.4	-176.8	-76.7	109.8	0	0	0	113.6	E231 E232 M233 Q237 W238 A239 W315 A318 M326 A334	E231-W235 PolarHBondContact O-N 3Å; E231-W235 VanDerWaalsContact O-N 3.08Å; E232-W235 PolarHBondContact O-N 3.31Å; M233-W235 VanDerWaalsContact C-N 3.31Å; M233-W235 PolarHBondContact O-N 2.97Å; W235-Q237 VanDerWaalsContact C-N 3.32Å; W235-W238 HydrophobicContact CE3-CB 4.11Å; W235-W238 AromaticContact CE3-CD2 3.59Å; W235-W238 HydrophobicContact CE3-CD2 3.59Å; W235-W238 AromaticContact CE3-CE3 3.46Å; W235-W238 HydrophobicContact CE3-CE3 3.46Å; W235-W238 VanDerWaalsContact CE3-CE3 3.46Å; W235-W238 AromaticContact CE3-CG 3.89Å; W235-W238 HydrophobicContact CE3-CG 3.89Å; W235-W238 HydrophobicContact CE3-CZ3 4.02Å; W235-W238 AromaticContact CZ3-CD2 3.46Å; W235-W238 HydrophobicContact CZ3-CD2 3.46Å; W235-W238 VanDerWaalsContact CZ3-CD2 3.46Å; W235-W238 AromaticContact CZ3-CE2 3.65Å; W235-W238 AromaticContact CZ3-CE3 3.61Å; W235-W238 HydrophobicContact CZ3-CE3 3.61Å; W235-W238 AromaticContact CZ3-CG 3.92Å; W235-W238 HydrophobicContact CZ3-CG 3.92Å; W235-W238 HydrophobicContact CZ3-CH2 4.09Å; W235-W238 AromaticContact CZ3-CZ2 3.98Å; W235-W238 HydrophobicContact CZ3-CZ2 3.98Å; W235-W238 AromaticContact CZ3-CZ3 3.9Å; W235-W238 HydrophobicContact CZ3-CZ3 3.9Å; W235-W238 PolarHBondContact O-N 3.07Å; W235-A239 WeakPolarHBondContact O-CB 3.44Å; W235-A239 PolarHBondContact O-N 3.45Å; W235-W315 HydrophobicContact CB-CZ3 3.79Å; W235-W315 AromaticContact CD2-CE3 3.74Å; W235-W315 HydrophobicContact CD2-CE3 3.74Å; W235-W315 AromaticContact CD2-CZ3 3.75Å; W235-W315 HydrophobicContact CD2-CZ3 3.75Å; W235-W315 AromaticContact CE3-CE3 3.46Å; W235-W315 HydrophobicContact CE3-CE3 3.46Å; W235-W315 VanDerWaalsContact CE3-CE3 3.46Å; W235-W315 AromaticContact CE3-CZ3 3.86Å; W235-W315 HydrophobicContact CE3-CZ3 3.86Å; W235-W315 HydrophobicContact CG-CE3 4.22Å; W235-W315 AromaticContact CG-CZ3 3.71Å; W235-W315 HydrophobicContact CG-CZ3 3.71Å; W235-W315 HydrophobicContact CZ3-CB 4.38Å; W235-W315 AromaticContact CZ3-CE3 3.88Å; W235-W315 HydrophobicContact CZ3-CE3 3.88Å; W235-A318 HydrophobicContact CH2-CB 3.74Å; W235-A318 HydrophobicContact CZ2-CB 3.05Å; W235-M326 VanDerWaalsContact CD1-CE 3.46Å; W235-M326 HydrophobicContact CD2-CE 4.18Å; W235-M326 HydrophobicContact CG-CE 3.93Å; W235-A334 HydrophobicContact CB-CB 3.65Å
236	R	98.5	Very high	96.2	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.011	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-43.1	168.6	-69.1	173.5	73	-172.1	0.4	111.2	S166 S170 Y210 E232 M233 A239 D240 L333 A334 A337	S166-R236 PolarHBondContact O-NH2 3.31Å; S170-R236 PolarHBondContact OG-NH1 3.33Å; S170-R236 VanDerWaalsContact OG-NH1 3.15Å; S170-R236 PolarHBondContact OG-NH2 3.21Å; Y210-R236 HydrophobicContact CD1-CB 3.65Å; Y210-R236 HydrophobicContact CE1-CB 4.11Å; Y210-R236 HydrophobicContact CG-CB 4.28Å; Y210-R236 PolarHBondContact O-NH1 2.85Å; E232-R236 HydrophobicContact CG-CG 4.27Å; E232-R236 VanDerWaalsContact O-CG 3.24Å; E232-R236 WeakPolarHBondContact O-CG 3.35Å; E232-R236 PolarHBondContact O-N 3.22Å; M233-R236 PolarHBondContact O-N 2.91Å; R236-A239 PolarHBondContact O-N 3.27Å; R236-D240 PolarHBondContact O-N 3.11Å; R236-L333 HydrophobicContact CG-CB 4.38Å; R236-A334 HydrophobicContact CG-CB 4.21Å; R236-A337 HydrophobicContact CG-CB 4.35Å
237	Q	97.9	Very high	96.5	Very high	95 Å²	95	42.8 Å²	42.8	44%	0.444	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-48.2	174.4	-176	172.4	9.6	0	0	111.7	Y210 M233 K234 W235 A239 D240 D241	Y210-Q237 HydrophobicContact CD2-CB 3.87Å; Y210-Q237 HydrophobicContact CD2-CG 4.38Å; Y210-Q237 HydrophobicContact CE2-CB 3.47Å; Y210-Q237 VanDerWaalsContact CE2-CB 3.47Å; Y210-Q237 HydrophobicContact CE2-CG 3.65Å; Y210-Q237 VanDerWaalsContact CZ-CA 3.49Å; M233-Q237 WeakPolarHBondContact O-CB 3.13Å; M233-Q237 PolarHBondContact O-N 2.67Å; K234-Q237 PolarHBondContact O-N 3.45Å; W235-Q237 VanDerWaalsContact C-N 3.32Å; Q237-A239 VanDerWaalsContact C-N 3.26Å; Q237-A239 PolarHBondContact O-N 2.98Å; Q237-D240 PolarHBondContact O-N 3.41Å; Q237-D240 VanDerWaalsContact O-N 3.12Å; Q237-D241 WeakPolarHBondContact CG-OD2 3.46Å; Q237-D241 PolarHBondContact NE2-OD2 3.22Å; Q237-D241 WeakPolarHBondContact O-CB 3.1Å; Q237-D241 PolarHBondContact O-N 3.14Å
238	W	98.4	Very high	96.7	Very high	47 Å²	47	42 Å²	42	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-37.8	177.6	175	90	0	0	0	112.8	K234 W235 D240 W242 L243 A311 W315 V338	K234-W238 WeakPolarHBondContact O-CB 3.43Å; K234-W238 PolarHBondContact O-N 3.38Å; W235-W238 HydrophobicContact CE3-CB 4.11Å; W235-W238 AromaticContact CE3-CD2 3.59Å; W235-W238 HydrophobicContact CE3-CD2 3.59Å; W235-W238 AromaticContact CE3-CE3 3.46Å; W235-W238 HydrophobicContact CE3-CE3 3.46Å; W235-W238 VanDerWaalsContact CE3-CE3 3.46Å; W235-W238 AromaticContact CE3-CG 3.89Å; W235-W238 HydrophobicContact CE3-CG 3.89Å; W235-W238 HydrophobicContact CE3-CZ3 4.02Å; W235-W238 AromaticContact CZ3-CD2 3.46Å; W235-W238 HydrophobicContact CZ3-CD2 3.46Å; W235-W238 VanDerWaalsContact CZ3-CD2 3.46Å; W235-W238 AromaticContact CZ3-CE2 3.65Å; W235-W238 AromaticContact CZ3-CE3 3.61Å; W235-W238 HydrophobicContact CZ3-CE3 3.61Å; W235-W238 AromaticContact CZ3-CG 3.92Å; W235-W238 HydrophobicContact CZ3-CG 3.92Å; W235-W238 HydrophobicContact CZ3-CH2 4.09Å; W235-W238 AromaticContact CZ3-CZ2 3.98Å; W235-W238 HydrophobicContact CZ3-CZ2 3.98Å; W235-W238 AromaticContact CZ3-CZ3 3.9Å; W235-W238 HydrophobicContact CZ3-CZ3 3.9Å; W235-W238 PolarHBondContact O-N 3.07Å; W238-D240 VanDerWaalsContact C-N 3.33Å; W238-D240 PolarHBondContact O-N 2.9Å; W238-W242 AromaticContact CE2-CD1 3.58Å; W238-W242 HydrophobicContact CG-CB 4.45Å; W238-W242 AromaticContact CZ2-CD1 3.79Å; W238-W242 AromaticContact NE1-CD1 3.25Å; W238-W242 VanDerWaalsContact NE1-CD1 3.25Å; W238-W242 AromaticContact NE1-CG 3.88Å; W238-W242 WeakPolarHBondContact O-CA 3.45Å; W238-W242 WeakPolarHBondContact O-CB 3.29Å; W238-W242 PolarHBondContact O-N 3.4Å; W238-L243 HydrophobicContact CE3-CB 4.19Å; W238-L243 HydrophobicContact CH2-CB 4.08Å; W238-L243 HydrophobicContact CH2-CD1 3.89Å; W238-L243 HydrophobicContact CH2-CD2 4.19Å; W238-L243 HydrophobicContact CH2-CG 4.27Å; W238-L243 HydrophobicContact CZ3-CB 3.88Å; W238-L243 HydrophobicContact CZ3-CD1 4.31Å; W238-L243 HydrophobicContact CZ3-CD2 3.77Å; W238-L243 HydrophobicContact CZ3-CG 4.2Å; W238-L243 PolarHBondContact O-N 2.89Å; W238-A311 HydrophobicContact CH2-CB 4.31Å; W238-A311 WeakPolarHBondContact CH2-O 3.44Å; W238-A311 HydrophobicContact CZ2-CB 3.86Å; W238-A311 WeakPolarHBondContact CZ2-O 3.48Å; W238-W315 HydrophobicContact CH2-CB 4.09Å; W238-W315 HydrophobicContact CZ3-CB 4.37Å; W238-V338 HydrophobicContact CE3-CG2 4.25Å; W238-V338 HydrophobicContact CZ3-CG2 3.9Å
239	A	98.1	Very high	96.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-60	-45.6	176.3	0	0	0	0	0	111.3	W235 R236 Q237 L243 V244 A337 V338	W235-A239 WeakPolarHBondContact O-CB 3.44Å; W235-A239 PolarHBondContact O-N 3.45Å; R236-A239 PolarHBondContact O-N 3.27Å; Q237-A239 VanDerWaalsContact C-N 3.26Å; Q237-A239 PolarHBondContact O-N 2.98Å; A239-L243 WeakPolarHBondContact O-CB 3.28Å; A239-L243 PolarHBondContact O-N 3.2Å; A239-V244 WeakPolarHBondContact O-CG1 3.47Å; A239-V244 PolarHBondContact O-N 3.38Å; A239-V244 VanDerWaalsContact O-N 3.07Å; A239-A337 HydrophobicContact CB-CB 4.07Å; A239-V338 HydrophobicContact CB-CG2 4.22Å
240	D	94.8	Very high	96.9	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.059	18%	0.179	C	C	.	.	I	π-helix	trans	-79.6	-31.3	-177.1	-74.9	-12	0	0	0	114.1	K118 S166 Y210 R236 Q237 W238 V244	K118-D240 IonicContact NZ-OD1 2.7Å; K118-D240 PolarHBondContact NZ-OD1 3.31Å; K118-D240 IonicContact NZ-OD2 3.64Å; K118-D240 PolarHBondContact NZ-OD2 3.37Å; S166-D240 PolarHBondContact OG-OD2 3.28Å; Y210-D240 WeakPolarHBondContact OH-CB 2.98Å; Y210-D240 PolarHBondContact OH-OD2 2.87Å; R236-D240 PolarHBondContact O-N 3.11Å; Q237-D240 PolarHBondContact O-N 3.41Å; Q237-D240 VanDerWaalsContact O-N 3.12Å; W238-D240 VanDerWaalsContact C-N 3.33Å; W238-D240 PolarHBondContact O-N 2.9Å; D240-V244 WeakPolarHBondContact O-CG2 3.24Å
241	D	95	Very high	96.9	Very high	78 Å²	78	31.9 Å²	31.9	42%	0.417	15%	0.148	S	C	.	.	I	π-helix	trans	-98.6	-20.6	-172.7	-66.4	-6.4	0	0	0	112.5	Q237 H245	Q237-D241 WeakPolarHBondContact CG-OD2 3.46Å; Q237-D241 PolarHBondContact NE2-OD2 3.22Å; Q237-D241 WeakPolarHBondContact O-CB 3.1Å; Q237-D241 PolarHBondContact O-N 3.14Å; D241-H245 PolarHBondContact O-CD2 2.97Å
242	W	96.3	Very high	96.8	Very high	84 Å²	84	30.2 Å²	30.2	32%	0.318	14%	0.139	S	C	.	.	I	π-helix	trans	-125.5	-59.7	179.8	-179.7	-111.6	0	0	0	113.1	W238 V244 H245 L246 L300	W238-W242 AromaticContact CE2-CD1 3.58Å; W238-W242 HydrophobicContact CG-CB 4.45Å; W238-W242 AromaticContact CZ2-CD1 3.79Å; W238-W242 AromaticContact NE1-CD1 3.25Å; W238-W242 VanDerWaalsContact NE1-CD1 3.25Å; W238-W242 AromaticContact NE1-CG 3.88Å; W238-W242 WeakPolarHBondContact O-CA 3.45Å; W238-W242 WeakPolarHBondContact O-CB 3.29Å; W238-W242 PolarHBondContact O-N 3.4Å; W242-V244 PolarHBondContact O-N 3.28Å; W242-H245 WeakPolarHBondContact O-CA 3.46Å; W242-H245 VanDerWaalsContact O-CB 3.31Å; W242-H245 WeakPolarHBondContact O-CB 3.22Å; W242-H245 PolarHBondContact O-N 3.41Å; W242-L246 HydrophobicContact CH2-CD2 4.26Å; W242-L246 HydrophobicContact CZ2-CD2 3.93Å; W242-L300 HydrophobicContact CH2-CD2 3.62Å; W242-L300 HydrophobicContact CZ2-CD2 4.28Å; W242-L300 HydrophobicContact CZ3-CD2 4.25Å
243	L	97.9	Very high	96.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	15%	0.15	C	C	.	.	I	π-helix	trans	-60.2	-44.1	-168.9	-176.6	63.9	0	0	0	112.9	W238 A239 H245 L246 A311 V338 V341 L342	W238-L243 HydrophobicContact CE3-CB 4.19Å; W238-L243 HydrophobicContact CH2-CB 4.08Å; W238-L243 HydrophobicContact CH2-CD1 3.89Å; W238-L243 HydrophobicContact CH2-CD2 4.19Å; W238-L243 HydrophobicContact CH2-CG 4.27Å; W238-L243 HydrophobicContact CZ3-CB 3.88Å; W238-L243 HydrophobicContact CZ3-CD1 4.31Å; W238-L243 HydrophobicContact CZ3-CD2 3.77Å; W238-L243 HydrophobicContact CZ3-CG 4.2Å; W238-L243 PolarHBondContact O-N 2.89Å; A239-L243 WeakPolarHBondContact O-CB 3.28Å; A239-L243 PolarHBondContact O-N 3.2Å; L243-H245 PolarHBondContact O-N 2.96Å; L243-H245 VanDerWaalsContact O-N 3.13Å; L243-L246 HydrophobicContact CD1-CD1 4.35Å; L243-L246 WeakPolarHBondContact O-CB 3.35Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-A311 HydrophobicContact CD1-CB 4.41Å; L243-V338 HydrophobicContact CD2-CB 4.38Å; L243-V338 HydrophobicContact CD2-CG1 3.82Å; L243-V338 HydrophobicContact CD2-CG2 4.42Å; L243-V341 HydrophobicContact CB-CG1 4.33Å; L243-V341 HydrophobicContact CD2-CB 3.98Å; L243-V341 HydrophobicContact CD2-CG1 3.72Å; L243-V341 HydrophobicContact CG-CB 4.5Å; L243-V341 HydrophobicContact CG-CG1 3.71Å; L243-L342 HydrophobicContact CD1-CD2 4.05Å; L243-L342 HydrophobicContact CD2-CD2 4.14Å; L243-L342 HydrophobicContact CD2-CG 4.22Å; L243-L342 HydrophobicContact CG-CD2 4.39Å
244	V	96.4	Very high	96.6	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-25.9	177	-66.9	0	0	0	0	113	P114 F115 A239 D240 W242 L246 I247 V341	P114-V244 HydrophobicContact CB-CG1 4.01Å; P114-V244 HydrophobicContact CG-CG1 4.15Å; F115-V244 HydrophobicContact CE1-CG1 4.27Å; F115-V244 HydrophobicContact CZ-CG1 4.4Å; F115-V244 HydrophobicContact CZ-CG2 4.31Å; A239-V244 WeakPolarHBondContact O-CG1 3.47Å; A239-V244 PolarHBondContact O-N 3.38Å; A239-V244 VanDerWaalsContact O-N 3.07Å; D240-V244 WeakPolarHBondContact O-CG2 3.24Å; W242-V244 PolarHBondContact O-N 3.28Å; V244-L246 PolarHBondContact O-N 3.36Å; V244-I247 PolarHBondContact O-N 3.3Å; V244-V341 HydrophobicContact CB-CG1 4.46Å; V244-V341 HydrophobicContact CG1-CB 4.34Å; V244-V341 HydrophobicContact CG1-CG1 3.68Å; V244-V341 HydrophobicContact CG1-CG2 3.62Å
245	H	95.2	Very high	96.5	Very high	31 Å²	31	31.1 Å²	31.1	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-74.7	-16.9	-179.9	-66.3	-88.1	0	0	0	113.1	M1 D241 W242 L243 P249 H298	M1-H245 HydrophobicContact CE-CB 3.93Å; M1-H245 WeakPolarHBondContact CE-ND1 3.18Å; M1-H245 VanDerWaalsContact SD-CE1 3.55Å; M1-H245 PolarHBondContact SD-ND1 3.29Å; D241-H245 PolarHBondContact O-CD2 2.97Å; W242-H245 WeakPolarHBondContact O-CA 3.46Å; W242-H245 VanDerWaalsContact O-CB 3.31Å; W242-H245 WeakPolarHBondContact O-CB 3.22Å; W242-H245 PolarHBondContact O-N 3.41Å; L243-H245 PolarHBondContact O-N 2.96Å; L243-H245 VanDerWaalsContact O-N 3.13Å; H245-P249 WeakPolarHBondContact O-CD 3.43Å; H245-P249 WeakPolarHBondContact O-CG 3.3Å; H245-H298 AromaticContact CE1-CE1 3.55Å; H245-H298 AromaticContact CE1-NE2 3.87Å; H245-H298 AromaticContact CG-CE1 3.81Å; H245-H298 AromaticContact CG-NE2 3.97Å; H245-H298 AromaticContact ND1-CD2 3.79Å; H245-H298 AromaticContact ND1-CE1 2.98Å; H245-H298 PolarHBondContact ND1-CE1 2.94Å; H245-H298 AromaticContact ND1-ND1 3.67Å; H245-H298 AromaticContact ND1-NE2 3.04Å; H245-H298 PolarHBondContact ND1-NE2 2.86Å
246	L	96.6	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-82.5	-23.8	176.2	-53.7	-178.2	0	0	0	112.5	W242 L243 V244 N250 L300 D307 L308 A311	W242-L246 HydrophobicContact CH2-CD2 4.26Å; W242-L246 HydrophobicContact CZ2-CD2 3.93Å; L243-L246 HydrophobicContact CD1-CD1 4.35Å; L243-L246 WeakPolarHBondContact O-CB 3.35Å; L243-L246 PolarHBondContact O-N 3.48Å; V244-L246 PolarHBondContact O-N 3.36Å; L246-N250 VanDerWaalsContact O-CB 3.27Å; L246-N250 WeakPolarHBondContact O-CB 3.44Å; L246-N250 PolarHBondContact O-N 3.29Å; L246-N250 VanDerWaalsContact O-N 3.16Å; L246-N250 PolarHBondContact O-ND2 3.17Å; L246-L300 HydrophobicContact CD2-CD1 4.06Å; L246-L300 HydrophobicContact CD2-CD2 3.43Å; L246-L300 VanDerWaalsContact CD2-CD2 3.43Å; L246-L300 HydrophobicContact CD2-CG 4.42Å; L246-D307 HydrophobicContact CD2-CB 4.03Å; L246-L308 HydrophobicContact CB-CD1 4.46Å; L246-A311 HydrophobicContact CD1-CB 3.32Å
247	I	96	Very high	96.3	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.062	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-58.6	-174.2	-53.7	-62	0	0	0	111.4	V244 N250 V251 V341 V344 M345	V244-I247 PolarHBondContact O-N 3.3Å; I247-N250 PolarHBondContact O-N 3.37Å; I247-N250 VanDerWaalsContact O-N 3.08Å; I247-V251 HydrophobicContact CG2-CG1 4.18Å; I247-V251 WeakPolarHBondContact O-CG2 3.49Å; I247-V251 PolarHBondContact O-N 3.32Å; I247-V341 HydrophobicContact CD1-CG1 4.14Å; I247-V341 HydrophobicContact CG1-CG1 4.21Å; I247-V344 HydrophobicContact CG2-CG2 3.94Å; I247-M345 HydrophobicContact CD1-CE 3.73Å; I247-M345 HydrophobicContact CD1-CG 3.92Å; I247-M345 HydrophobicContact CD1-SD 3.53Å; I247-M345 VanDerWaalsContact CD1-SD 3.53Å; I247-M345 HydrophobicContact CG2-CG 4.01Å; I247-M345 HydrophobicContact CG2-SD 4.32Å
248	S	94.9	Very high	96.2	Very high	22 Å²	22	28 Å²	28	15%	0.154	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-46.6	-174.7	-62.9	0	0	0	0	113.2	N250 Y252	S248-N250 PolarHBondContact O-N 3.18Å; S248-Y252 WeakPolarHBondContact O-CB 3.35Å; S248-Y252 WeakPolarHBondContact O-CD2 3.34Å; S248-Y252 PolarHBondContact O-N 3.49Å; S248-Y252 VanDerWaalsContact O-N 3.09Å
249	P	95.8	Very high	96.1	Very high	3 Å²	3	29 Å²	29	2%	0.019	16%	0.158	C	C	.	.	H	α-helix	trans	-57.3	-34	173	-27.9	39.1	0	0	0	113.7	H245 R253 L294 L300 V304	H245-P249 WeakPolarHBondContact O-CD 3.43Å; H245-P249 WeakPolarHBondContact O-CG 3.3Å; P249-R253 WeakPolarHBondContact O-CA 3.24Å; P249-R253 WeakPolarHBondContact O-CB 3.47Å; P249-R253 PolarHBondContact O-N 2.94Å; P249-L294 HydrophobicContact CG-CB 4.27Å; P249-L300 HydrophobicContact CB-CD1 3.74Å; P249-L300 HydrophobicContact CG-CD1 3.6Å; P249-V304 HydrophobicContact CB-CB 4.33Å; P249-V304 HydrophobicContact CB-CG1 4.07Å
250	N	97.3	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-78.3	-47.7	180	-86.9	-80	0	0	0	113.5	L246 I247 S248 Y252 R253 V304 R305 L308 A350	L246-N250 VanDerWaalsContact O-CB 3.27Å; L246-N250 WeakPolarHBondContact O-CB 3.44Å; L246-N250 PolarHBondContact O-N 3.29Å; L246-N250 VanDerWaalsContact O-N 3.16Å; L246-N250 PolarHBondContact O-ND2 3.17Å; I247-N250 PolarHBondContact O-N 3.37Å; I247-N250 VanDerWaalsContact O-N 3.08Å; S248-N250 PolarHBondContact O-N 3.18Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 2.93Å; N250-R253 WeakPolarHBondContact O-CB 3.4Å; N250-V304 PolarHBondContact ND2-O 2.92Å; N250-V304 PolarHBondContact OD1-O 3.35Å; N250-R305 VanDerWaalsContact C-NH1 3.31Å; N250-R305 VanDerWaalsContact CA-NH1 3.33Å; N250-R305 VanDerWaalsContact CB-NH1 3.3Å; N250-R305 PolarHBondContact O-NH1 3.28Å; N250-R305 WeakPolarHBondContact OD1-CA 3.47Å; N250-R305 WeakPolarHBondContact OD1-CD 3.47Å; N250-R305 PolarHBondContact OD1-NH1 3Å; N250-L308 HydrophobicContact CB-CD2 4.36Å; N250-A350 HydrophobicContact CB-CB 4.25Å
251	V	96.4	Very high	96.1	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-78	-19.6	-176.3	-53.9	0	0	0	0	112.9	I247 E257 S261 M345 L348 A350	I247-V251 HydrophobicContact CG2-CG1 4.18Å; I247-V251 WeakPolarHBondContact O-CG2 3.49Å; I247-V251 PolarHBondContact O-N 3.32Å; V251-E257 CarbonylContact O-C 3.59Å; V251-E257 VanDerWaalsContact O-C 3.24Å; V251-E257 WeakPolarHBondContact O-CB 3.49Å; V251-E257 VanDerWaalsContact O-O 3.11Å; V251-S261 WeakPolarHBondContact CB-OG 3.34Å; V251-S261 PolarHBondContact O-OG 3.19Å; V251-M345 HydrophobicContact CG1-CB 4.48Å; V251-M345 HydrophobicContact CG1-CG 3.79Å; V251-M345 HydrophobicContact CG1-SD 4.02Å; V251-L348 HydrophobicContact CB-CD1 4Å; V251-L348 HydrophobicContact CG1-CD1 3.79Å; V251-A350 HydrophobicContact CG1-CB 4.06Å
252	Y	96.3	Very high	96.1	Very high	19 Å²	19	28.1 Å²	28.1	8%	0.075	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	30.1	176	-51.9	-65.1	0	0	0	112.2	S248 N250 A258 S261 F262 I265 M287 S291	S248-Y252 WeakPolarHBondContact O-CB 3.35Å; S248-Y252 WeakPolarHBondContact O-CD2 3.34Å; S248-Y252 PolarHBondContact O-N 3.49Å; S248-Y252 VanDerWaalsContact O-N 3.09Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 2.93Å; Y252-A258 HydrophobicContact CD1-CB 3.86Å; Y252-S261 VanDerWaalsContact CE1-CB 3.44Å; Y252-F262 HydrophobicContact CD1-CD2 4.25Å; Y252-F262 HydrophobicContact CD1-CE2 4.18Å; Y252-F262 AromaticContact CE1-CD2 3.52Å; Y252-F262 HydrophobicContact CE1-CD2 3.52Å; Y252-F262 AromaticContact CE1-CE2 3.41Å; Y252-F262 HydrophobicContact CE1-CE2 3.41Å; Y252-F262 VanDerWaalsContact CE1-CE2 3.41Å; Y252-F262 AromaticContact CZ-CE2 3.83Å; Y252-I265 WeakPolarHBondContact OH-CD1 3.48Å; Y252-M287 HydrophobicContact CD1-CB 3.92Å; Y252-M287 HydrophobicContact CD2-CB 4.11Å; Y252-M287 HydrophobicContact CD2-CE 3.59Å; Y252-M287 HydrophobicContact CE1-CB 4.09Å; Y252-M287 HydrophobicContact CE2-CB 4.29Å; Y252-M287 HydrophobicContact CE2-CE 3.3Å; Y252-M287 HydrophobicContact CE2-CG 4.48Å; Y252-M287 HydrophobicContact CG-CB 3.97Å; Y252-S291 PolarHBondContact O-OG 3.41Å
253	R	94.5	Very high	96	Very high	69 Å²	69	27.3 Å²	27.3	26%	0.26	16%	0.163	S	C	.	.	S	Bend	trans	-69	-42.1	-173.2	-175.4	-177	65.7	112.5	4.3	112.8	P249 N250 E257 F288 K292 V304	P249-R253 WeakPolarHBondContact O-CA 3.24Å; P249-R253 WeakPolarHBondContact O-CB 3.47Å; P249-R253 PolarHBondContact O-N 2.94Å; N250-R253 WeakPolarHBondContact O-CB 3.4Å; R253-E257 IonicContact CZ-OE1 3.35Å; R253-E257 IonicContact NE-OE1 3.13Å; R253-E257 PolarHBondContact NE-OE1 3.45Å; R253-E257 VanDerWaalsContact NE-OE1 3.13Å; R253-E257 IonicContact NE-OE2 3.78Å; R253-E257 IonicContact NH2-OE1 2.75Å; R253-E257 PolarHBondContact NH2-OE1 3.36Å; R253-F288 WeakPolarHBondContact O-CE2 3.4Å; R253-K292 PolarHBondContact O-NZ 2.48Å; R253-V304 HydrophobicContact CB-CG2 4.26Å; R253-V304 HydrophobicContact CG-CG2 3.74Å
254	T	96.2	Very high	95.8	Very high	48 Å²	48	29.2 Å²	29.2	29%	0.294	17%	0.17	S	C	.	.	S	Bend	trans	-118.3	164	177.7	65.2	0	0	0	0	109.9	G256 E257 A258	T254-G256 VanDerWaalsContact C-N 3.33Å; T254-E257 WeakPolarHBondContact CG2-OE1 3.39Å; T254-E257 PolarHBondContact O-N 3.14Å; T254-E257 WeakPolarHBondContact OG1-CB 3.32Å; T254-E257 WeakPolarHBondContact OG1-CG 3.45Å; T254-E257 PolarHBondContact OG1-N 2.92Å; T254-E257 PolarHBondContact OG1-OE1 2.88Å; T254-A258 VanDerWaalsContact O-CB 3.31Å; T254-A258 WeakPolarHBondContact O-CB 3.36Å; T254-A258 PolarHBondContact O-N 2.82Å
255	T	95.1	Very high	95.6	Very high	93 Å²	93	30.2 Å²	30.2	57%	0.571	18%	0.175	S	C	*	.	H	α-helix	trans	-64.8	-37.7	177.9	48.5	0	0	0	0	112.2	A258 L259 F288	T255-A258 PolarHBondContact O-N 3.14Å; T255-L259 WeakPolarHBondContact O-CG 3.29Å; T255-L259 PolarHBondContact O-N 3.4Å; T255-F288 HydrophobicContact CG2-CD1 4.24Å; T255-F288 HydrophobicContact CG2-CD2 4.33Å; T255-F288 HydrophobicContact CG2-CE1 4.15Å; T255-F288 HydrophobicContact CG2-CE2 4.24Å; T255-F288 HydrophobicContact CG2-CG 4.33Å; T255-F288 HydrophobicContact CG2-CZ 4.15Å
256	G	96.7	Very high	95.5	Very high	44 Å²	44	30.2 Å²	30.2	45%	0.454	18%	0.177	S	C	.	.	H	α-helix	trans	-63.7	-49.6	174.9	0	0	0	0	0	112.4	T254 A258 L259 A260	T254-G256 VanDerWaalsContact C-N 3.33Å; G256-A258 VanDerWaalsContact C-N 3.27Å; G256-A258 PolarHBondContact O-N 3.32Å; G256-L259 PolarHBondContact O-N 2.84Å; G256-A260 PolarHBondContact O-N 2.77Å
257	E	96.2	Very high	95.4	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-37.2	175.9	-71	171.3	-115.5	0	0	111.7	V251 R253 T254 A260 S261 R305 Q349	V251-E257 CarbonylContact O-C 3.59Å; V251-E257 VanDerWaalsContact O-C 3.24Å; V251-E257 WeakPolarHBondContact O-CB 3.49Å; V251-E257 VanDerWaalsContact O-O 3.11Å; R253-E257 IonicContact CZ-OE1 3.35Å; R253-E257 IonicContact NE-OE1 3.13Å; R253-E257 PolarHBondContact NE-OE1 3.45Å; R253-E257 VanDerWaalsContact NE-OE1 3.13Å; R253-E257 IonicContact NE-OE2 3.78Å; R253-E257 IonicContact NH2-OE1 2.75Å; R253-E257 PolarHBondContact NH2-OE1 3.36Å; T254-E257 WeakPolarHBondContact CG2-OE1 3.39Å; T254-E257 PolarHBondContact O-N 3.14Å; T254-E257 WeakPolarHBondContact OG1-CB 3.32Å; T254-E257 WeakPolarHBondContact OG1-CG 3.45Å; T254-E257 PolarHBondContact OG1-N 2.92Å; T254-E257 PolarHBondContact OG1-OE1 2.88Å; E257-A260 PolarHBondContact O-N 2.87Å; E257-S261 WeakPolarHBondContact O-CB 3.31Å; E257-S261 PolarHBondContact O-N 3.06Å; E257-S261 PolarHBondContact O-OG 2.91Å; E257-R305 IonicContact OE1-NH2 2.64Å; E257-R305 IonicContact OE2-CZ 3.58Å; E257-R305 IonicContact OE2-NH1 3.67Å; E257-R305 IonicContact OE2-NH2 3.68Å; E257-R305 PolarHBondContact OE2-NH2 3.43Å; E257-Q349 HydrophobicContact CG-CB 4.43Å
258	A	96.6	Very high	95.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-40.8	178.4	0	0	0	0	0	112.8	Y252 T254 T255 G256 S261 F262 A284 F288	Y252-A258 HydrophobicContact CD1-CB 3.86Å; T254-A258 VanDerWaalsContact O-CB 3.31Å; T254-A258 WeakPolarHBondContact O-CB 3.36Å; T254-A258 PolarHBondContact O-N 2.82Å; T255-A258 PolarHBondContact O-N 3.14Å; G256-A258 VanDerWaalsContact C-N 3.27Å; G256-A258 PolarHBondContact O-N 3.32Å; A258-S261 PolarHBondContact O-N 3.27Å; A258-F262 PolarHBondContact O-N 3.21Å; A258-A284 HydrophobicContact CB-CB 4.35Å; A258-F288 HydrophobicContact CB-CB 4.16Å
259	L	96.6	Very high	95	Very high	66 Å²	66	39.6 Å²	39.6	35%	0.346	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-43.7	173.8	-77.4	167.8	0	0	0	111.7	T255 G256 S261 F262 D263 Y281 A284	T255-L259 WeakPolarHBondContact O-CG 3.29Å; T255-L259 PolarHBondContact O-N 3.4Å; G256-L259 PolarHBondContact O-N 2.84Å; L259-S261 VanDerWaalsContact C-N 3.34Å; L259-S261 PolarHBondContact O-N 3.41Å; L259-F262 PolarHBondContact O-N 2.97Å; L259-D263 WeakPolarHBondContact O-CB 3.15Å; L259-D263 PolarHBondContact O-N 3.49Å; L259-Y281 HydrophobicContact CD2-CD1 3.89Å; L259-Y281 HydrophobicContact CD2-CE1 4.31Å; L259-A284 HydrophobicContact CD2-CB 3.73Å; L259-A284 HydrophobicContact CG-CB 4.11Å
260	A	97	Very high	94.8	Very high	53 Å²	53	44 Å²	44	44%	0.438	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-43	176.5	0	0	0	0	0	111.8	G256 E257 F262 D263 Y264	G256-A260 PolarHBondContact O-N 2.77Å; E257-A260 PolarHBondContact O-N 2.87Å; A260-F262 PolarHBondContact O-N 2.95Å; A260-D263 PolarHBondContact O-N 3.3Å; A260-Y264 WeakPolarHBondContact O-CB 3.38Å; A260-Y264 PolarHBondContact O-N 2.86Å
261	S	95.4	Very high	94.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-40.5	177.3	-61.5	0	0	0	0	112.4	V251 Y252 E257 A258 L259 I265	V251-S261 WeakPolarHBondContact CB-OG 3.34Å; V251-S261 PolarHBondContact O-OG 3.19Å; Y252-S261 VanDerWaalsContact CE1-CB 3.44Å; E257-S261 WeakPolarHBondContact O-CB 3.31Å; E257-S261 PolarHBondContact O-N 3.06Å; E257-S261 PolarHBondContact O-OG 2.91Å; A258-S261 PolarHBondContact O-N 3.27Å; L259-S261 VanDerWaalsContact C-N 3.34Å; L259-S261 PolarHBondContact O-N 3.41Å; S261-I265 WeakPolarHBondContact O-CD1 3.34Å; S261-I265 VanDerWaalsContact O-CG1 3.24Å; S261-I265 WeakPolarHBondContact O-CG1 3.41Å; S261-I265 PolarHBondContact O-N 3.39Å
262	F	93.7	Very high	94	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-34.4	177.2	-99.1	-87.6	0	0	0	113.5	Y252 A258 L259 A260 Y264 I265 V266 A279 G283 A284 M287	Y252-F262 HydrophobicContact CD1-CD2 4.25Å; Y252-F262 HydrophobicContact CD1-CE2 4.18Å; Y252-F262 AromaticContact CE1-CD2 3.52Å; Y252-F262 HydrophobicContact CE1-CD2 3.52Å; Y252-F262 AromaticContact CE1-CE2 3.41Å; Y252-F262 HydrophobicContact CE1-CE2 3.41Å; Y252-F262 VanDerWaalsContact CE1-CE2 3.41Å; Y252-F262 AromaticContact CZ-CE2 3.83Å; A258-F262 PolarHBondContact O-N 3.21Å; L259-F262 PolarHBondContact O-N 2.97Å; A260-F262 PolarHBondContact O-N 2.95Å; F262-Y264 VanDerWaalsContact C-N 3.31Å; F262-I265 PolarHBondContact O-N 2.98Å; F262-V266 WeakPolarHBondContact O-CB 3.45Å; F262-V266 VanDerWaalsContact O-CG2 3.3Å; F262-V266 WeakPolarHBondContact O-CG2 3.27Å; F262-V266 PolarHBondContact O-N 2.85Å; F262-A279 WeakPolarHBondContact CD1-O 3.48Å; F262-A279 WeakPolarHBondContact CE1-O 3.38Å; F262-G283 VanDerWaalsContact CE2-C 3.43Å; F262-G283 VanDerWaalsContact CE2-O 3.29Å; F262-G283 WeakPolarHBondContact CE2-O 3.03Å; F262-G283 WeakPolarHBondContact CZ-O 3.41Å; F262-A284 HydrophobicContact CB-CB 4.04Å; F262-A284 HydrophobicContact CD2-CB 3.89Å; F262-A284 HydrophobicContact CG-CB 4.08Å; F262-M287 HydrophobicContact CD2-CB 4.47Å; F262-M287 HydrophobicContact CE2-CB 3.46Å; F262-M287 VanDerWaalsContact CE2-CB 3.46Å; F262-M287 HydrophobicContact CE2-CG 3.3Å; F262-M287 HydrophobicContact CZ-CB 4.05Å; F262-M287 HydrophobicContact CZ-CG 3.37Å
263	D	94.8	Very high	93.7	Very high	67 Å²	67	52.9 Å²	52.9	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-47.9	170.4	-171.6	73.1	0	0	0	110.5	L259 A260 I265 V266 R267 K280	L259-D263 WeakPolarHBondContact O-CB 3.15Å; L259-D263 PolarHBondContact O-N 3.49Å; A260-D263 PolarHBondContact O-N 3.3Å; D263-I265 PolarHBondContact O-N 2.93Å; D263-V266 PolarHBondContact O-N 3.29Å; D263-R267 VanDerWaalsContact O-CB 3.29Å; D263-R267 WeakPolarHBondContact O-CB 3.32Å; D263-R267 PolarHBondContact O-N 3.3Å; D263-K280 HydrophobicContact CB-CD 4.33Å; D263-K280 VanDerWaalsContact OD1-CE 3.23Å; D263-K280 WeakPolarHBondContact OD1-CE 3.31Å; D263-K280 IonicContact OD1-NZ 3.96Å; D263-K280 PolarHBondContact OD1-NZ 3.01Å
264	Y	93.6	Very high	93.5	Very high	41 Å²	41	54.5 Å²	54.5	16%	0.161	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-47.7	173.2	175.5	-121.3	0	0	0	112.4	T112 A260 F262 V266 R267 E268 L348	T112-Y264 HydrophobicContact CG2-CD1 3.81Å; T112-Y264 HydrophobicContact CG2-CE1 3.42Å; T112-Y264 VanDerWaalsContact CG2-CE1 3.42Å; A260-Y264 WeakPolarHBondContact O-CB 3.38Å; A260-Y264 PolarHBondContact O-N 2.86Å; F262-Y264 VanDerWaalsContact C-N 3.31Å; Y264-V266 PolarHBondContact O-N 3.38Å; Y264-R267 PolarHBondContact O-N 3.25Å; Y264-E268 HydrophobicContact CD2-CG 3.48Å; Y264-E268 VanDerWaalsContact CD2-CG 3.48Å; Y264-E268 HydrophobicContact CE2-CB 4.43Å; Y264-E268 HydrophobicContact CE2-CG 3.2Å; Y264-E268 HydrophobicContact CG-CG 4.35Å; Y264-E268 WeakPolarHBondContact O-CB 3.21Å; Y264-E268 VanDerWaalsContact O-CG 3.31Å; Y264-E268 WeakPolarHBondContact O-CG 3.3Å; Y264-E268 PolarHBondContact O-N 3.11Å; Y264-L348 HydrophobicContact CD1-CD1 4.43Å; Y264-L348 HydrophobicContact CD1-CD2 4.37Å; Y264-L348 HydrophobicContact CG-CD2 4.45Å
265	I	92.9	Very high	93.1	Very high	29 Å²	29	54.3 Å²	54.3	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-43.6	177.8	-72.7	164.3	0	0	0	112.2	T112 Y252 S261 F262 D263 G269 F271	T112-I265 HydrophobicContact CG2-CG1 4.24Å; Y252-I265 WeakPolarHBondContact OH-CD1 3.48Å; S261-I265 WeakPolarHBondContact O-CD1 3.34Å; S261-I265 VanDerWaalsContact O-CG1 3.24Å; S261-I265 WeakPolarHBondContact O-CG1 3.41Å; S261-I265 PolarHBondContact O-N 3.39Å; F262-I265 PolarHBondContact O-N 2.98Å; D263-I265 PolarHBondContact O-N 2.93Å; I265-G269 WeakPolarHBondContact O-CA 3.24Å; I265-G269 PolarHBondContact O-N 3.14Å; I265-F271 HydrophobicContact CG2-CE2 3.88Å; I265-F271 HydrophobicContact CG2-CZ 3.99Å; I265-F271 WeakPolarHBondContact O-CE2 3.2Å
266	V	93	Very high	92.9	Very high	30 Å²	30	50 Å²	50	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-38	-178.3	170.3	0	0	0	0	111.1	F262 D263 Y264 F271 A279 K280	F262-V266 WeakPolarHBondContact O-CB 3.45Å; F262-V266 VanDerWaalsContact O-CG2 3.3Å; F262-V266 WeakPolarHBondContact O-CG2 3.27Å; F262-V266 PolarHBondContact O-N 2.85Å; D263-V266 PolarHBondContact O-N 3.29Å; Y264-V266 PolarHBondContact O-N 3.38Å; V266-F271 HydrophobicContact CB-CD2 4.31Å; V266-F271 HydrophobicContact CG1-CB 4.26Å; V266-F271 HydrophobicContact CG1-CD2 4.43Å; V266-F271 HydrophobicContact CG1-CG 4.4Å; V266-F271 HydrophobicContact CG2-CD2 4.26Å; V266-F271 HydrophobicContact CG2-CE2 4.31Å; V266-F271 HydrophobicContact CG2-CG 4.39Å; V266-F271 HydrophobicContact CG2-CZ 4.48Å; V266-A279 HydrophobicContact CG2-CB 3.85Å; V266-K280 HydrophobicContact CG2-CB 4.35Å
267	R	93.5	Very high	92.7	Very high	173 Å²	173	53.8 Å²	53.8	65%	0.653	29%	0.286	S	S	*	.	H	α-helix	trans	-70.8	-41.3	179.3	-168.9	-174.1	72.1	167.3	1.4	112.8	D263 Y264	D263-R267 VanDerWaalsContact O-CB 3.29Å; D263-R267 WeakPolarHBondContact O-CB 3.32Å; D263-R267 PolarHBondContact O-N 3.3Å; Y264-R267 PolarHBondContact O-N 3.25Å
268	E	92.4	Very high	92.4	Very high	43 Å²	43	58.9 Å²	58.9	20%	0.201	31%	0.308	C	S	.	.	H	α-helix	trans	-86.6	-22.5	-177.4	-65.1	-51.9	141.4	0	0	113.8	K111 T112 Y264	K111-E268 HydrophobicContact CD-CB 4.08Å; K111-E268 WeakPolarHBondContact CE-OE2 3.43Å; K111-E268 HydrophobicContact CG-CB 4.45Å; K111-E268 IonicContact NZ-OE2 2.65Å; K111-E268 PolarHBondContact NZ-OE2 3.45Å; T112-E268 HydrophobicContact CG2-CB 3.9Å; T112-E268 HydrophobicContact CG2-CG 4.33Å; Y264-E268 HydrophobicContact CD2-CG 3.48Å; Y264-E268 VanDerWaalsContact CD2-CG 3.48Å; Y264-E268 HydrophobicContact CE2-CB 4.43Å; Y264-E268 HydrophobicContact CE2-CG 3.2Å; Y264-E268 HydrophobicContact CG-CG 4.35Å; Y264-E268 WeakPolarHBondContact O-CB 3.21Å; Y264-E268 VanDerWaalsContact O-CG 3.31Å; Y264-E268 WeakPolarHBondContact O-CG 3.3Å; Y264-E268 PolarHBondContact O-N 3.11Å
269	G	90.9	Very high	92.1	Very high	15 Å²	15	59.7 Å²	59.7	16%	0.155	32%	0.315	C	S	.	.	S	Bend	trans	-94.7	175.9	-178.8	0	0	0	0	0	113.2	I265 F271	I265-G269 WeakPolarHBondContact O-CA 3.24Å; I265-G269 PolarHBondContact O-N 3.14Å; G269-F271 PolarHBondContact O-N 3.28Å
270	K	92.2	Very high	91.8	Very high	97 Å²	97	59.1 Å²	59.1	42%	0.422	31%	0.309	S	S	.	.			trans	-91.3	91.9	177.6	-172.3	179	-175.2	-175.4	0	111.7	E134 N136 E142	E134-K270 HydrophobicContact CB-CB 4.13Å; E134-K270 HydrophobicContact CG-CB 3.74Å; E134-K270 WeakPolarHBondContact O-CD 3.19Å; N136-K270 WeakPolarHBondContact CA-O 3.27Å; N136-K270 PolarHBondContact ND2-O 3.29Å; E142-K270 WeakPolarHBondContact OE1-CE 3.35Å; E142-K270 IonicContact OE1-NZ 2.75Å; E142-K270 PolarHBondContact OE1-NZ 3.45Å
271	F	88.7	Confident	91.7	Very high	39 Å²	39	62 Å²	62	17%	0.171	31%	0.31	C	S	.	.			trans	-120	142.1	175.2	-68.8	-92.1	0	0	0	111.5	P137 V138 I265 V266 G269 E275 A279	P137-F271 HydrophobicContact CB-CE1 4.42Å; P137-F271 HydrophobicContact CB-CZ 4.07Å; P137-F271 HydrophobicContact CG-CE1 4.18Å; P137-F271 HydrophobicContact CG-CE2 3.92Å; P137-F271 HydrophobicContact CG-CZ 3.53Å; V138-F271 HydrophobicContact CG2-CE1 4.36Å; I265-F271 HydrophobicContact CG2-CE2 3.88Å; I265-F271 HydrophobicContact CG2-CZ 3.99Å; I265-F271 WeakPolarHBondContact O-CE2 3.2Å; V266-F271 HydrophobicContact CB-CD2 4.31Å; V266-F271 HydrophobicContact CG1-CB 4.26Å; V266-F271 HydrophobicContact CG1-CD2 4.43Å; V266-F271 HydrophobicContact CG1-CG 4.4Å; V266-F271 HydrophobicContact CG2-CD2 4.26Å; V266-F271 HydrophobicContact CG2-CE2 4.31Å; V266-F271 HydrophobicContact CG2-CG 4.39Å; V266-F271 HydrophobicContact CG2-CZ 4.48Å; G269-F271 PolarHBondContact O-N 3.28Å; F271-E275 HydrophobicContact CD1-CG 4.1Å; F271-A279 HydrophobicContact CD1-CB 3.99Å; F271-A279 HydrophobicContact CE1-CB 3.74Å
272	G	88.3	Confident	91.6	Very high	36 Å²	36	66 Å²	66	37%	0.371	33%	0.333	S	S	.	.			trans	-68.5	162.3	164.6	0	0	0	0	0	111.3	V274 E275 G276	G272-V274 PolarHBondContact O-N 3.07Å; G272-E275 PolarHBondContact N-OE2 3.08Å; G272-E275 VanDerWaalsContact N-OE2 3.08Å; G272-E275 PolarHBondContact O-N 3.12Å; G272-G276 WeakPolarHBondContact O-CA 3.04Å; G272-G276 PolarHBondContact O-N 3.07Å
273	T	89	Confident	91.6	Very high	137 Å²	137	65.4 Å²	65.4	84%	0.84	33%	0.332	S	S	*	.	H	α-helix	trans	-59.7	-49.3	-175.6	-47.5	0	0	0	0	113.2	F277	T273-F277 PolarHBondContact O-N 3.4Å; T273-F277 VanDerWaalsContact O-N 3.17Å
274	V	90.1	Very high	91.6	Very high	103 Å²	103	62.3 Å²	62.3	62%	0.624	32%	0.316	S	S	*	.	H	α-helix	trans	-69	-45.9	179.2	177.6	0	0	0	0	110.6	G272 G276 F277 F278	G272-V274 PolarHBondContact O-N 3.07Å; V274-G276 VanDerWaalsContact C-N 3.31Å; V274-G276 PolarHBondContact O-N 2.91Å; V274-F277 PolarHBondContact O-N 2.92Å; V274-F278 HydrophobicContact CG1-CD2 3.89Å; V274-F278 HydrophobicContact CG1-CE2 3.77Å; V274-F278 VanDerWaalsContact O-CD2 3.27Å; V274-F278 WeakPolarHBondContact O-CD2 3.25Å; V274-F278 PolarHBondContact O-N 3.28Å; V274-F278 VanDerWaalsContact O-N 3.14Å
275	E	89.6	Confident	91.7	Very high	44 Å²	44	63.2 Å²	63.2	21%	0.206	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-44.4	177.7	-175.1	-163.8	172.2	0	0	111.6	N136 V138 F271 G272 F278 A279	N136-E275 PolarHBondContact ND2-OE1 3.23Å; N136-E275 PolarHBondContact ND2-OE2 3.39Å; N136-E275 PolarHBondContact OD1-OE1 3.33Å; V138-E275 WeakPolarHBondContact CB-OE1 2.97Å; V138-E275 HydrophobicContact CG2-CG 4.15Å; V138-E275 WeakPolarHBondContact CG2-OE1 3.38Å; F271-E275 HydrophobicContact CD1-CG 4.1Å; G272-E275 PolarHBondContact N-OE2 3.08Å; G272-E275 VanDerWaalsContact N-OE2 3.08Å; G272-E275 PolarHBondContact O-N 3.12Å; E275-F278 PolarHBondContact O-N 3.48Å; E275-A279 WeakPolarHBondContact O-CB 3.29Å; E275-A279 PolarHBondContact O-N 3.3Å
276	G	89.1	Confident	91.8	Very high	4 Å²	4	63.2 Å²	63.2	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-40.6	178.8	0	0	0	0	0	112.4	G272 V274 A279 K280	G272-G276 WeakPolarHBondContact O-CA 3.04Å; G272-G276 PolarHBondContact O-N 3.07Å; V274-G276 VanDerWaalsContact C-N 3.31Å; V274-G276 PolarHBondContact O-N 2.91Å; G276-A279 PolarHBondContact O-N 3.41Å; G276-K280 WeakPolarHBondContact O-CB 3.48Å; G276-K280 PolarHBondContact O-N 3.3Å
277	F	92.4	Very high	91.8	Very high	123 Å²	123	62.1 Å²	62.1	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-50.9	172.9	179.3	-89.8	0	0	0	111.3	T273 V274 K280 Y281	T273-F277 PolarHBondContact O-N 3.4Å; T273-F277 VanDerWaalsContact O-N 3.17Å; V274-F277 PolarHBondContact O-N 2.92Å; F277-K280 PolarHBondContact O-N 3.4Å; F277-Y281 HydrophobicContact CD1-CD2 4.39Å; F277-Y281 HydrophobicContact CD2-CD2 4.12Å; F277-Y281 AromaticContact CD2-CE2 3.75Å; F277-Y281 HydrophobicContact CD2-CE2 3.75Å; F277-Y281 HydrophobicContact CE1-CD2 4.16Å; F277-Y281 HydrophobicContact CE1-CE2 4.5Å; F277-Y281 AromaticContact CE2-CD2 3.88Å; F277-Y281 HydrophobicContact CE2-CD2 3.88Å; F277-Y281 AromaticContact CE2-CE2 3.41Å; F277-Y281 HydrophobicContact CE2-CE2 3.41Å; F277-Y281 VanDerWaalsContact CE2-CE2 3.41Å; F277-Y281 HydrophobicContact CG-CD2 4.37Å; F277-Y281 HydrophobicContact CG-CE2 4.43Å; F277-Y281 AromaticContact CZ-CD2 3.89Å; F277-Y281 HydrophobicContact CZ-CD2 3.89Å; F277-Y281 AromaticContact CZ-CE2 3.83Å; F277-Y281 HydrophobicContact CZ-CE2 3.83Å; F277-Y281 VanDerWaalsContact O-CD2 3.29Å; F277-Y281 WeakPolarHBondContact O-CD2 3.29Å; F277-Y281 PolarHBondContact O-N 2.99Å
278	F	91.8	Very high	91.9	Very high	118 Å²	118	56.7 Å²	56.7	52%	0.518	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-43	178.1	-78.5	-73.9	0	0	0	112.2	V274 E275 K280 Y281 V282	V274-F278 HydrophobicContact CG1-CD2 3.89Å; V274-F278 HydrophobicContact CG1-CE2 3.77Å; V274-F278 VanDerWaalsContact O-CD2 3.27Å; V274-F278 WeakPolarHBondContact O-CD2 3.25Å; V274-F278 PolarHBondContact O-N 3.28Å; V274-F278 VanDerWaalsContact O-N 3.14Å; E275-F278 PolarHBondContact O-N 3.48Å; F278-K280 VanDerWaalsContact C-N 3.26Å; F278-K280 PolarHBondContact O-N 3.46Å; F278-Y281 PolarHBondContact O-N 3.31Å; F278-V282 HydrophobicContact CD1-CG2 4.17Å; F278-V282 WeakPolarHBondContact O-CA 3.44Å; F278-V282 VanDerWaalsContact O-CB 3.24Å; F278-V282 WeakPolarHBondContact O-CB 3.5Å; F278-V282 PolarHBondContact O-N 3.08Å
279	A	89.3	Confident	92	Very high	18 Å²	18	58.1 Å²	58.1	15%	0.149	32%	0.322	C	S	.	.	I	π-helix	trans	-58	-42	176.4	0	0	0	0	0	110.8	F262 V266 F271 E275 G276 G283	F262-A279 WeakPolarHBondContact CD1-O 3.48Å; F262-A279 WeakPolarHBondContact CE1-O 3.38Å; V266-A279 HydrophobicContact CG2-CB 3.85Å; F271-A279 HydrophobicContact CD1-CB 3.99Å; F271-A279 HydrophobicContact CE1-CB 3.74Å; E275-A279 WeakPolarHBondContact O-CB 3.29Å; E275-A279 PolarHBondContact O-N 3.3Å; G276-A279 PolarHBondContact O-N 3.41Å; A279-G283 WeakPolarHBondContact O-CA 3.44Å; A279-G283 PolarHBondContact O-N 3.14Å
280	K	91.1	Very high	92.2	Very high	54 Å²	54	58.7 Å²	58.7	24%	0.235	32%	0.321	C	S	.	.	I	π-helix	trans	-59.1	-56.1	178.9	-179.8	173.9	173.8	170.6	0	112.1	D263 V266 G276 F277 F278 A284	D263-K280 HydrophobicContact CB-CD 4.33Å; D263-K280 VanDerWaalsContact OD1-CE 3.23Å; D263-K280 WeakPolarHBondContact OD1-CE 3.31Å; D263-K280 IonicContact OD1-NZ 3.96Å; D263-K280 PolarHBondContact OD1-NZ 3.01Å; V266-K280 HydrophobicContact CG2-CB 4.35Å; G276-K280 WeakPolarHBondContact O-CB 3.48Å; G276-K280 PolarHBondContact O-N 3.3Å; F277-K280 PolarHBondContact O-N 3.4Å; F278-K280 VanDerWaalsContact C-N 3.26Å; F278-K280 PolarHBondContact O-N 3.46Å; K280-A284 WeakPolarHBondContact O-CB 3.39Å; K280-A284 PolarHBondContact O-N 3.14Å
281	Y	94.1	Very high	92.1	Very high	114 Å²	114	54.1 Å²	54.1	45%	0.447	30%	0.302	S	S	.	.	I	π-helix	trans	-83.7	-50.7	-172.5	-66.1	-77.9	0	0	0	113	L259 F277 F278 A285	L259-Y281 HydrophobicContact CD2-CD1 3.89Å; L259-Y281 HydrophobicContact CD2-CE1 4.31Å; F277-Y281 HydrophobicContact CD1-CD2 4.39Å; F277-Y281 HydrophobicContact CD2-CD2 4.12Å; F277-Y281 AromaticContact CD2-CE2 3.75Å; F277-Y281 HydrophobicContact CD2-CE2 3.75Å; F277-Y281 HydrophobicContact CE1-CD2 4.16Å; F277-Y281 HydrophobicContact CE1-CE2 4.5Å; F277-Y281 AromaticContact CE2-CD2 3.88Å; F277-Y281 HydrophobicContact CE2-CD2 3.88Å; F277-Y281 AromaticContact CE2-CE2 3.41Å; F277-Y281 HydrophobicContact CE2-CE2 3.41Å; F277-Y281 VanDerWaalsContact CE2-CE2 3.41Å; F277-Y281 HydrophobicContact CG-CD2 4.37Å; F277-Y281 HydrophobicContact CG-CE2 4.43Å; F277-Y281 AromaticContact CZ-CD2 3.89Å; F277-Y281 HydrophobicContact CZ-CD2 3.89Å; F277-Y281 AromaticContact CZ-CE2 3.83Å; F277-Y281 HydrophobicContact CZ-CE2 3.83Å; F277-Y281 VanDerWaalsContact O-CD2 3.29Å; F277-Y281 WeakPolarHBondContact O-CD2 3.29Å; F277-Y281 PolarHBondContact O-N 2.99Å; F278-Y281 PolarHBondContact O-N 3.31Å; Y281-A285 PolarHBondContact O-N 3.15Å; Y281-A285 VanDerWaalsContact O-N 3.12Å
282	V	94.1	Very high	92.3	Very high	85 Å²	85	56.3 Å²	56.3	52%	0.515	31%	0.311	S	S	.	.	I	π-helix	trans	-72.2	-40	-178.2	-177.6	0	0	0	0	110.4	F278 A285 A286	F278-V282 HydrophobicContact CD1-CG2 4.17Å; F278-V282 WeakPolarHBondContact O-CA 3.44Å; F278-V282 VanDerWaalsContact O-CB 3.24Å; F278-V282 WeakPolarHBondContact O-CB 3.5Å; F278-V282 PolarHBondContact O-N 3.08Å; V282-A285 PolarHBondContact O-N 2.96Å; V282-A286 WeakPolarHBondContact O-CB 3.34Å; V282-A286 PolarHBondContact O-N 2.88Å
283	G	93	Very high	92.6	Very high	4 Å²	4	62.8 Å²	62.8	4%	0.041	32%	0.324	C	S	.	.	I	π-helix	trans	-63.6	-43.6	175.7	0	0	0	0	0	112.2	F262 A279 A286 M287	F262-G283 VanDerWaalsContact CE2-C 3.43Å; F262-G283 VanDerWaalsContact CE2-O 3.29Å; F262-G283 WeakPolarHBondContact CE2-O 3.03Å; F262-G283 WeakPolarHBondContact CZ-O 3.41Å; A279-G283 WeakPolarHBondContact O-CA 3.44Å; A279-G283 PolarHBondContact O-N 3.14Å; G283-A286 PolarHBondContact O-N 3.23Å; G283-M287 WeakPolarHBondContact O-CB 3.37Å; G283-M287 WeakPolarHBondContact O-CG 3.2Å; G283-M287 PolarHBondContact O-N 3.34Å
284	A	94.9	Very high	92.6	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-48	174.9	0	0	0	0	0	112.4	A258 L259 F262 K280 A286 M287 F288	A258-A284 HydrophobicContact CB-CB 4.35Å; L259-A284 HydrophobicContact CD2-CB 3.73Å; L259-A284 HydrophobicContact CG-CB 4.11Å; F262-A284 HydrophobicContact CB-CB 4.04Å; F262-A284 HydrophobicContact CD2-CB 3.89Å; F262-A284 HydrophobicContact CG-CB 4.08Å; K280-A284 WeakPolarHBondContact O-CB 3.39Å; K280-A284 PolarHBondContact O-N 3.14Å; A284-A286 PolarHBondContact O-N 3.08Å; A284-M287 PolarHBondContact O-N 2.95Å; A284-F288 WeakPolarHBondContact O-CB 3.23Å; A284-F288 PolarHBondContact O-N 2.84Å
285	A	95.7	Very high	92.7	Very high	60 Å²	60	53 Å²	53	50%	0.496	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-46	178	0	0	0	0	0	111.8	Y281 V282 M287 F288 V289	Y281-A285 PolarHBondContact O-N 3.15Å; Y281-A285 VanDerWaalsContact O-N 3.12Å; V282-A285 PolarHBondContact O-N 2.96Å; A285-M287 PolarHBondContact O-N 3.35Å; A285-F288 PolarHBondContact O-N 3.33Å; A285-V289 PolarHBondContact O-N 3.04Å
286	A	94.6	Very high	92.8	Very high	29 Å²	29	56.2 Å²	56.2	24%	0.24	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-44.6	177.7	0	0	0	0	0	111.8	L9 V282 G283 A284 V289 I290	L9-A286 HydrophobicContact CD2-CB 3.77Å; V282-A286 WeakPolarHBondContact O-CB 3.34Å; V282-A286 PolarHBondContact O-N 2.88Å; G283-A286 PolarHBondContact O-N 3.23Å; A284-A286 PolarHBondContact O-N 3.08Å; A286-V289 PolarHBondContact O-N 2.91Å; A286-I290 WeakPolarHBondContact O-CB 3.36Å; A286-I290 VanDerWaalsContact O-CG1 3.25Å; A286-I290 WeakPolarHBondContact O-CG1 3.47Å; A286-I290 PolarHBondContact O-N 2.88Å
287	M	92.9	Very high	92.9	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.034	31%	0.307	C	S	.	.	H	α-helix	trans	-72.2	-30.4	-178.9	-77.6	-58.9	-65.3	0	0	113.5	C5 Y252 F262 G283 A284 A285 V289 I290 S291	C5-M287 HydrophobicContact CB-CE 4.42Å; C5-M287 HydrophobicContact CB-SD 3.83Å; C5-M287 VanDerWaalsContact SG-CE 3.57Å; C5-M287 PolarHBondContact SG-SD 2.95Å; Y252-M287 HydrophobicContact CD1-CB 3.92Å; Y252-M287 HydrophobicContact CD2-CB 4.11Å; Y252-M287 HydrophobicContact CD2-CE 3.59Å; Y252-M287 HydrophobicContact CE1-CB 4.09Å; Y252-M287 HydrophobicContact CE2-CB 4.29Å; Y252-M287 HydrophobicContact CE2-CE 3.3Å; Y252-M287 HydrophobicContact CE2-CG 4.48Å; Y252-M287 HydrophobicContact CG-CB 3.97Å; F262-M287 HydrophobicContact CD2-CB 4.47Å; F262-M287 HydrophobicContact CE2-CB 3.46Å; F262-M287 VanDerWaalsContact CE2-CB 3.46Å; F262-M287 HydrophobicContact CE2-CG 3.3Å; F262-M287 HydrophobicContact CZ-CB 4.05Å; F262-M287 HydrophobicContact CZ-CG 3.37Å; G283-M287 WeakPolarHBondContact O-CB 3.37Å; G283-M287 WeakPolarHBondContact O-CG 3.2Å; G283-M287 PolarHBondContact O-N 3.34Å; A284-M287 PolarHBondContact O-N 2.95Å; A285-M287 PolarHBondContact O-N 3.35Å; M287-V289 VanDerWaalsContact C-N 3.31Å; M287-V289 PolarHBondContact O-N 2.82Å; M287-I290 PolarHBondContact O-N 3.18Å; M287-I290 HydrophobicContact SD-CB 4.25Å; M287-I290 HydrophobicContact SD-CD1 3.98Å; M287-I290 HydrophobicContact SD-CG2 4.29Å; M287-S291 WeakPolarHBondContact O-CB 3.42Å; M287-S291 PolarHBondContact O-N 2.65Å; M287-S291 PolarHBondContact O-OG 3.46Å
288	F	95.2	Very high	92.7	Very high	58 Å²	58	59.6 Å²	59.6	25%	0.254	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-42.3	169	173.3	-104.9	0	0	0	111.4	R253 T255 A258 A284 A285 S291 K292	R253-F288 WeakPolarHBondContact O-CE2 3.4Å; T255-F288 HydrophobicContact CG2-CD1 4.24Å; T255-F288 HydrophobicContact CG2-CD2 4.33Å; T255-F288 HydrophobicContact CG2-CE1 4.15Å; T255-F288 HydrophobicContact CG2-CE2 4.24Å; T255-F288 HydrophobicContact CG2-CG 4.33Å; T255-F288 HydrophobicContact CG2-CZ 4.15Å; A258-F288 HydrophobicContact CB-CB 4.16Å; A284-F288 WeakPolarHBondContact O-CB 3.23Å; A284-F288 PolarHBondContact O-N 2.84Å; A285-F288 PolarHBondContact O-N 3.33Å; F288-S291 PolarHBondContact O-OG 3.37Å; F288-K292 WeakPolarHBondContact O-CG 3.23Å; F288-K292 PolarHBondContact O-N 3.44Å
289	V	96	Very high	92.8	Very high	74 Å²	74	60.8 Å²	60.8	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-71.6	-43.1	176.3	177.5	0	0	0	0	111.5	A285 A286 M287 S291 K292 R293	A285-V289 PolarHBondContact O-N 3.04Å; A286-V289 PolarHBondContact O-N 2.91Å; M287-V289 VanDerWaalsContact C-N 3.31Å; M287-V289 PolarHBondContact O-N 2.82Å; V289-S291 VanDerWaalsContact C-N 3.31Å; V289-S291 PolarHBondContact O-N 2.98Å; V289-K292 PolarHBondContact O-N 2.98Å; V289-R293 PolarHBondContact O-N 3.18Å
290	I	93.6	Very high	92.8	Very high	26 Å²	26	60.6 Å²	60.6	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-38.2	178.5	-68.9	165	0	0	0	110.8	T8 A286 M287 K292 R293 L294	T8-I290 HydrophobicContact CG2-CD1 4.34Å; A286-I290 WeakPolarHBondContact O-CB 3.36Å; A286-I290 VanDerWaalsContact O-CG1 3.25Å; A286-I290 WeakPolarHBondContact O-CG1 3.47Å; A286-I290 PolarHBondContact O-N 2.88Å; M287-I290 PolarHBondContact O-N 3.18Å; M287-I290 HydrophobicContact SD-CB 4.25Å; M287-I290 HydrophobicContact SD-CD1 3.98Å; M287-I290 HydrophobicContact SD-CG2 4.29Å; I290-K292 VanDerWaalsContact C-N 3.33Å; I290-K292 PolarHBondContact O-N 3.42Å; I290-R293 CarbonylContact O-C 3.55Å; I290-R293 WeakPolarHBondContact O-CB 3.5Å; I290-R293 PolarHBondContact O-N 3.02Å; I290-R293 VanDerWaalsContact O-N 3.11Å; I290-L294 HydrophobicContact CG2-CD1 3.91Å; I290-L294 HydrophobicContact CG2-CG 4.09Å; I290-L294 WeakPolarHBondContact O-CG 3.48Å; I290-L294 PolarHBondContact O-N 2.83Å
291	S	91.7	Very high	92.9	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-38.5	-179.7	76	0	0	0	0	111.7	Y252 M287 F288 V289 R293 L294 K295	Y252-S291 PolarHBondContact O-OG 3.41Å; M287-S291 WeakPolarHBondContact O-CB 3.42Å; M287-S291 PolarHBondContact O-N 2.65Å; M287-S291 PolarHBondContact O-OG 3.46Å; F288-S291 PolarHBondContact O-OG 3.37Å; V289-S291 VanDerWaalsContact C-N 3.31Å; V289-S291 PolarHBondContact O-N 2.98Å; S291-R293 VanDerWaalsContact C-N 3.35Å; S291-R293 PolarHBondContact O-N 3.35Å; S291-L294 PolarHBondContact O-N 2.97Å; S291-K295 WeakPolarHBondContact O-CB 3.1Å; S291-K295 PolarHBondContact O-N 3.28Å
292	K	92.9	Very high	92.7	Very high	85 Å²	85	64.1 Å²	64.1	37%	0.37	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-38.8	172.5	-59.5	-63.3	174.8	-173.6	0	112.2	R253 F288 V289 I290 K295 N296	R253-K292 PolarHBondContact O-NZ 2.48Å; F288-K292 WeakPolarHBondContact O-CG 3.23Å; F288-K292 PolarHBondContact O-N 3.44Å; V289-K292 PolarHBondContact O-N 2.98Å; I290-K292 VanDerWaalsContact C-N 3.33Å; I290-K292 PolarHBondContact O-N 3.42Å; K292-K295 WeakPolarHBondContact O-CB 3.32Å; K292-N296 PolarHBondContact O-N 2.86Å; K292-N296 PolarHBondContact O-OD1 3.04Å
293	R	92.9	Very high	92.6	Very high	171 Å²	171	63 Å²	63	65%	0.645	32%	0.316	S	S	*	.	H	α-helix	trans	-67.9	-37.2	173.8	-65.4	179.8	180	176.1	-0.1	112.2	V289 I290 S291 N296 R297	V289-R293 PolarHBondContact O-N 3.18Å; I290-R293 CarbonylContact O-C 3.55Å; I290-R293 WeakPolarHBondContact O-CB 3.5Å; I290-R293 PolarHBondContact O-N 3.02Å; I290-R293 VanDerWaalsContact O-N 3.11Å; S291-R293 VanDerWaalsContact C-N 3.35Å; S291-R293 PolarHBondContact O-N 3.35Å; R293-N296 PolarHBondContact O-N 2.89Å; R293-R297 WeakPolarHBondContact O-CB 3.29Å; R293-R297 PolarHBondContact O-N 3.46Å
294	L	90.2	Very high	92.7	Very high	11 Å²	11	63 Å²	63	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-68.3	-41.4	176.6	-73.2	175.3	0	0	0	111.5	M1 P249 I290 S291 N296 R297 H298	M1-L294 HydrophobicContact SD-CD1 4.47Å; M1-L294 HydrophobicContact SD-CD2 3.87Å; P249-L294 HydrophobicContact CG-CB 4.27Å; I290-L294 HydrophobicContact CG2-CD1 3.91Å; I290-L294 HydrophobicContact CG2-CG 4.09Å; I290-L294 WeakPolarHBondContact O-CG 3.48Å; I290-L294 PolarHBondContact O-N 2.83Å; S291-L294 PolarHBondContact O-N 2.97Å; L294-N296 VanDerWaalsContact C-N 3.3Å; L294-N296 PolarHBondContact O-N 3.16Å; L294-R297 PolarHBondContact O-N 3.27Å; L294-H298 WeakPolarHBondContact O-CB 3.04Å; L294-H298 PolarHBondContact O-CD2 3.44Å; L294-H298 PolarHBondContact O-N 3.44Å
295	K	91.9	Very high	92.8	Very high	25 Å²	25	63.1 Å²	63.1	11%	0.109	32%	0.315	C	S	.	.	H	α-helix	trans	-49.8	-52.7	171	175.2	-166.3	158.7	177.7	0	110.4	S291 K292 H298 N299 L300 Q301 D302 V304	S291-K295 WeakPolarHBondContact O-CB 3.1Å; S291-K295 PolarHBondContact O-N 3.28Å; K292-K295 WeakPolarHBondContact O-CB 3.32Å; K295-H298 PolarHBondContact O-N 3.3Å; K295-N299 PolarHBondContact O-N 3.36Å; K295-L300 HydrophobicContact CB-CB 4.47Å; K295-L300 HydrophobicContact CG-CB 3.84Å; K295-L300 PolarHBondContact O-N 3.36Å; K295-Q301 WeakPolarHBondContact CE-O 3.4Å; K295-D302 VanDerWaalsContact NZ-CA 3.3Å; K295-D302 PolarHBondContact NZ-O 3Å; K295-D302 IonicContact NZ-OD1 2.75Å; K295-D302 PolarHBondContact NZ-OD1 3.39Å; K295-V304 HydrophobicContact CB-CG1 4.38Å; K295-V304 HydrophobicContact CD-CG1 3.83Å; K295-V304 HydrophobicContact CG-CG1 3.78Å
296	N	92.1	Very high	92.9	Very high	111 Å²	111	64.3 Å²	64.3	59%	0.594	31%	0.311	S	S	*	.	H	α-helix	trans	-67.7	-39.2	-179.9	-63.4	-3.5	0	0	0	112.6	K292 R293 L294 H298 N299	K292-N296 PolarHBondContact O-N 2.86Å; K292-N296 PolarHBondContact O-OD1 3.04Å; R293-N296 PolarHBondContact O-N 2.89Å; L294-N296 VanDerWaalsContact C-N 3.3Å; L294-N296 PolarHBondContact O-N 3.16Å; N296-H298 VanDerWaalsContact C-N 3.3Å; N296-H298 PolarHBondContact O-N 3.05Å; N296-N299 PolarHBondContact O-N 2.84Å; N296-N299 PolarHBondContact O-OD1 3.33Å
297	R	90.1	Very high	93	Very high	154 Å²	154	63.6 Å²	63.6	58%	0.581	30%	0.303	S	S	*	.	H	α-helix	trans	-64.9	-33.6	179.2	178.1	178.6	-66.7	-176.9	0.3	113	R293 L294	R293-R297 WeakPolarHBondContact O-CB 3.29Å; R293-R297 PolarHBondContact O-N 3.46Å; L294-R297 PolarHBondContact O-N 3.27Å
298	H	89.6	Confident	93.3	Very high	43 Å²	43	63.2 Å²	63.2	20%	0.199	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	12.6	-178.6	-65.3	-60	0	0	0	112.5	H245 L294 K295 N296 L300	H245-H298 AromaticContact CE1-CE1 3.55Å; H245-H298 AromaticContact CE1-NE2 3.87Å; H245-H298 AromaticContact CG-CE1 3.81Å; H245-H298 AromaticContact CG-NE2 3.97Å; H245-H298 AromaticContact ND1-CD2 3.79Å; H245-H298 AromaticContact ND1-CE1 2.98Å; H245-H298 PolarHBondContact ND1-CE1 2.94Å; H245-H298 AromaticContact ND1-ND1 3.67Å; H245-H298 AromaticContact ND1-NE2 3.04Å; H245-H298 PolarHBondContact ND1-NE2 2.86Å; L294-H298 WeakPolarHBondContact O-CB 3.04Å; L294-H298 PolarHBondContact O-CD2 3.44Å; L294-H298 PolarHBondContact O-N 3.44Å; K295-H298 PolarHBondContact O-N 3.3Å; N296-H298 VanDerWaalsContact C-N 3.3Å; N296-H298 PolarHBondContact O-N 3.05Å; H298-L300 HydrophobicContact CB-CD2 4.35Å; H298-L300 HydrophobicContact CB-CG 4.09Å; H298-L300 PolarHBondContact O-N 2.98Å
299	N	92.1	Very high	93.4	Very high	144 Å²	144	61.5 Å²	61.5	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	43.2	178.5	-61.3	3.2	0	0	0	113.1	K295 N296	K295-N299 PolarHBondContact O-N 3.36Å; N296-N299 PolarHBondContact O-N 2.84Å; N296-N299 PolarHBondContact O-OD1 3.33Å
300	L	91.1	Very high	93.5	Very high	14 Å²	14	63.4 Å²	63.4	7%	0.073	30%	0.295	C	S	.	.			trans	-79.4	150.1	178	-60.5	-173.1	0	0	0	111.2	W242 L246 P249 K295 H298 V304 D307	W242-L300 HydrophobicContact CH2-CD2 3.62Å; W242-L300 HydrophobicContact CZ2-CD2 4.28Å; W242-L300 HydrophobicContact CZ3-CD2 4.25Å; L246-L300 HydrophobicContact CD2-CD1 4.06Å; L246-L300 HydrophobicContact CD2-CD2 3.43Å; L246-L300 VanDerWaalsContact CD2-CD2 3.43Å; L246-L300 HydrophobicContact CD2-CG 4.42Å; P249-L300 HydrophobicContact CB-CD1 3.74Å; P249-L300 HydrophobicContact CG-CD1 3.6Å; K295-L300 HydrophobicContact CB-CB 4.47Å; K295-L300 HydrophobicContact CG-CB 3.84Å; K295-L300 PolarHBondContact O-N 3.36Å; H298-L300 HydrophobicContact CB-CD2 4.35Å; H298-L300 HydrophobicContact CB-CG 4.09Å; H298-L300 PolarHBondContact O-N 2.98Å; L300-V304 HydrophobicContact CB-CG1 4.39Å; L300-V304 HydrophobicContact CD1-CG1 4.47Å; L300-D307 WeakPolarHBondContact CA-OD2 3.45Å; L300-D307 WeakPolarHBondContact CB-OD2 3.34Å; L300-D307 HydrophobicContact CD2-CB 4.21Å
301	Q	91.6	Very high	93.7	Very high	93 Å²	93	62.2 Å²	62.2	44%	0.435	29%	0.289	S	S	.	.			trans	-62	165.5	176.3	-69.4	178.1	67.7	0	0	112.2	K295 D303 D307	K295-Q301 WeakPolarHBondContact CE-O 3.4Å; Q301-D303 PolarHBondContact O-N 3.28Å; Q301-D307 WeakPolarHBondContact CB-OD2 3.13Å; Q301-D307 WeakPolarHBondContact CG-OD1 3.29Å; Q301-D307 PolarHBondContact N-OD2 3.44Å; Q301-D307 PolarHBondContact NE2-OD1 3.43Å
302	D	89.8	Confident	94	Very high	148 Å²	148	62.2 Å²	62.2	79%	0.791	29%	0.289	S	S	*	.	S	Bend	trans	-61.7	-46.2	-178.9	-87.1	-30.8	0	0	0	113.4	K295 V304	K295-D302 VanDerWaalsContact NZ-CA 3.3Å; K295-D302 PolarHBondContact NZ-O 3Å; K295-D302 IonicContact NZ-OD1 2.75Å; K295-D302 PolarHBondContact NZ-OD1 3.39Å; D302-V304 PolarHBondContact O-N 3.12Å
303	D	93.4	Very high	94.3	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.332	29%	0.285	S	S	.	.	S	Bend	trans	-87.9	94.7	163.5	-176.4	19.1	0	0	0	110.6	Q301 R305 Q306	Q301-D303 PolarHBondContact O-N 3.28Å; D303-R305 PolarHBondContact O-N 3.41Å; D303-R305 WeakPolarHBondContact OD1-CB 3.07Å; D303-R305 PolarHBondContact OD1-N 3.03Å; D303-Q306 HydrophobicContact CB-CG 4.04Å; D303-Q306 WeakPolarHBondContact O-CB 3.33Å; D303-Q306 PolarHBondContact O-N 3.2Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.24Å; D303-Q306 PolarHBondContact OD2-NE2 3.1Å
304	V	94.9	Very high	94.5	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-16.7	177.8	-62.3	0	0	0	0	113.9	P249 N250 R253 K295 L300 D302 Q306 L308	P249-V304 HydrophobicContact CB-CB 4.33Å; P249-V304 HydrophobicContact CB-CG1 4.07Å; N250-V304 PolarHBondContact ND2-O 2.92Å; N250-V304 PolarHBondContact OD1-O 3.35Å; R253-V304 HydrophobicContact CB-CG2 4.26Å; R253-V304 HydrophobicContact CG-CG2 3.74Å; K295-V304 HydrophobicContact CB-CG1 4.38Å; K295-V304 HydrophobicContact CD-CG1 3.83Å; K295-V304 HydrophobicContact CG-CG1 3.78Å; L300-V304 HydrophobicContact CB-CG1 4.39Å; L300-V304 HydrophobicContact CD1-CG1 4.47Å; D302-V304 PolarHBondContact O-N 3.12Å; V304-Q306 VanDerWaalsContact C-N 3.34Å; V304-L308 PolarHBondContact O-N 3.04Å
305	R	96.7	Very high	94.9	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-67.2	-36.6	172.4	-73.4	-73.5	-170.8	-87.4	-4.9	111.4	N250 E257 D303 D307 L308 Y309 A350 D353	N250-R305 VanDerWaalsContact C-NH1 3.31Å; N250-R305 VanDerWaalsContact CA-NH1 3.33Å; N250-R305 VanDerWaalsContact CB-NH1 3.3Å; N250-R305 PolarHBondContact O-NH1 3.28Å; N250-R305 WeakPolarHBondContact OD1-CA 3.47Å; N250-R305 WeakPolarHBondContact OD1-CD 3.47Å; N250-R305 PolarHBondContact OD1-NH1 3Å; E257-R305 IonicContact OE1-NH2 2.64Å; E257-R305 IonicContact OE2-CZ 3.58Å; E257-R305 IonicContact OE2-NH1 3.67Å; E257-R305 IonicContact OE2-NH2 3.68Å; E257-R305 PolarHBondContact OE2-NH2 3.43Å; D303-R305 PolarHBondContact O-N 3.41Å; D303-R305 WeakPolarHBondContact OD1-CB 3.07Å; D303-R305 PolarHBondContact OD1-N 3.03Å; R305-D307 VanDerWaalsContact C-N 3.3Å; R305-D307 PolarHBondContact O-N 3.4Å; R305-L308 WeakPolarHBondContact O-CB 3.43Å; R305-L308 PolarHBondContact O-N 3.13Å; R305-L308 VanDerWaalsContact O-N 3.15Å; R305-Y309 HydrophobicContact CB-CE1 4.27Å; R305-Y309 HydrophobicContact CB-CE2 3.97Å; R305-Y309 WeakPolarHBondContact O-CD1 3.41Å; R305-Y309 WeakPolarHBondContact O-CD2 3.42Å; R305-Y309 PolarHBondContact O-N 3.4Å; R305-A350 VanDerWaalsContact CZ-CA 3.5Å; R305-A350 VanDerWaalsContact NH2-CA 3.33Å; R305-D353 IonicContact CZ-OD2 3.42Å; R305-D353 IonicContact NE-OD2 2.77Å; R305-D353 PolarHBondContact NE-OD2 3.49Å; R305-D353 IonicContact NH2-OD2 2.82Å; R305-D353 PolarHBondContact NH2-OD2 3.2Å
306	Q	97.6	Very high	95.2	Very high	85 Å²	85	55.6 Å²	55.6	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-37.8	178	-59.4	-51.3	-45.4	0	0	111.8	D303 V304 L308 Y309 K310	D303-Q306 HydrophobicContact CB-CG 4.04Å; D303-Q306 WeakPolarHBondContact O-CB 3.33Å; D303-Q306 PolarHBondContact O-N 3.2Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.24Å; D303-Q306 PolarHBondContact OD2-NE2 3.1Å; V304-Q306 VanDerWaalsContact C-N 3.34Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-Y309 PolarHBondContact O-N 3.03Å; Q306-K310 WeakPolarHBondContact O-CB 3.01Å; Q306-K310 PolarHBondContact O-N 3.32Å
307	D	97.2	Very high	95.5	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-39.8	174.7	-64.6	-50.7	0	0	0	112	L246 L300 Q301 R305 A311	L246-D307 HydrophobicContact CD2-CB 4.03Å; L300-D307 WeakPolarHBondContact CA-OD2 3.45Å; L300-D307 WeakPolarHBondContact CB-OD2 3.34Å; L300-D307 HydrophobicContact CD2-CB 4.21Å; Q301-D307 WeakPolarHBondContact CB-OD2 3.13Å; Q301-D307 WeakPolarHBondContact CG-OD1 3.29Å; Q301-D307 PolarHBondContact N-OD2 3.44Å; Q301-D307 PolarHBondContact NE2-OD1 3.43Å; R305-D307 VanDerWaalsContact C-N 3.3Å; R305-D307 PolarHBondContact O-N 3.4Å; D307-A311 VanDerWaalsContact O-CB 3.25Å; D307-A311 WeakPolarHBondContact O-CB 3.32Å; D307-A311 PolarHBondContact O-N 3.37Å
308	L	98.1	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-48.8	174.5	178.8	61.7	0	0	0	110.9	L246 N250 V304 R305 Q306 K310 A311 V312 M345 M354	L246-L308 HydrophobicContact CB-CD1 4.46Å; N250-L308 HydrophobicContact CB-CD2 4.36Å; V304-L308 PolarHBondContact O-N 3.04Å; R305-L308 WeakPolarHBondContact O-CB 3.43Å; R305-L308 PolarHBondContact O-N 3.13Å; R305-L308 VanDerWaalsContact O-N 3.15Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 2.92Å; L308-A311 PolarHBondContact O-N 3.29Å; L308-V312 HydrophobicContact CD1-CG2 3.99Å; L308-V312 HydrophobicContact CG-CG2 4.48Å; L308-V312 WeakPolarHBondContact O-CB 3.44Å; L308-V312 VanDerWaalsContact O-CG2 3.25Å; L308-V312 WeakPolarHBondContact O-CG2 3.42Å; L308-V312 PolarHBondContact O-N 3.34Å; L308-M345 HydrophobicContact CD1-CE 4.16Å; L308-M345 HydrophobicContact CD2-CE 4.14Å; L308-M345 HydrophobicContact CD2-SD 4.38Å; L308-M354 HydrophobicContact CD2-CB 4.12Å
309	Y	98.4	Very high	96.1	Very high	22 Å²	22	46 Å²	46	9%	0.086	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-42.9	179.4	-57.5	-18.7	0	0	0	111.4	R305 Q306 V312 N313 D353 N357 T358	R305-Y309 HydrophobicContact CB-CE1 4.27Å; R305-Y309 HydrophobicContact CB-CE2 3.97Å; R305-Y309 WeakPolarHBondContact O-CD1 3.41Å; R305-Y309 WeakPolarHBondContact O-CD2 3.42Å; R305-Y309 PolarHBondContact O-N 3.4Å; Q306-Y309 PolarHBondContact O-N 3.03Å; Y309-V312 PolarHBondContact O-N 3.26Å; Y309-N313 VanDerWaalsContact O-CB 3.24Å; Y309-N313 WeakPolarHBondContact O-CB 3.31Å; Y309-N313 PolarHBondContact O-N 3.2Å; Y309-N313 PolarHBondContact O-ND2 3.14Å; Y309-D353 HydrophobicContact CE1-CB 4.38Å; Y309-D353 WeakPolarHBondContact OH-CB 3.15Å; Y309-N357 HydrophobicContact CD1-CB 4.21Å; Y309-N357 HydrophobicContact CD2-CB 3.96Å; Y309-N357 HydrophobicContact CE1-CB 3.93Å; Y309-N357 HydrophobicContact CE2-CB 3.62Å; Y309-N357 HydrophobicContact CG-CB 4.24Å; Y309-N357 PolarHBondContact OH-ND2 3.33Å; Y309-T358 HydrophobicContact CD1-CG2 3.87Å; Y309-T358 HydrophobicContact CG-CG2 4.13Å
310	K	98	Very high	96.3	Very high	114 Å²	114	40.9 Å²	40.9	50%	0.496	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-51.2	176.1	-173.6	-175	-179	-59.7	0	110.8	Q306 L308 V312 N313 D314	Q306-K310 WeakPolarHBondContact O-CB 3.01Å; Q306-K310 PolarHBondContact O-N 3.32Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 2.92Å; K310-V312 VanDerWaalsContact C-N 3.32Å; K310-V312 PolarHBondContact O-N 2.98Å; K310-N313 PolarHBondContact O-N 3.08Å; K310-D314 IonicContact NZ-OD1 3.18Å; K310-D314 IonicContact NZ-OD2 3.9Å; K310-D314 PolarHBondContact NZ-OD2 3.28Å; K310-D314 WeakPolarHBondContact O-CB 3.12Å; K310-D314 PolarHBondContact O-N 3.26Å
311	A	98.2	Very high	96.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-42	-179.8	0	0	0	0	0	112.5	W238 L243 L246 D307 L308 D314 W315	W238-A311 HydrophobicContact CH2-CB 4.31Å; W238-A311 WeakPolarHBondContact CH2-O 3.44Å; W238-A311 HydrophobicContact CZ2-CB 3.86Å; W238-A311 WeakPolarHBondContact CZ2-O 3.48Å; L243-A311 HydrophobicContact CD1-CB 4.41Å; L246-A311 HydrophobicContact CD1-CB 3.32Å; D307-A311 VanDerWaalsContact O-CB 3.25Å; D307-A311 WeakPolarHBondContact O-CB 3.32Å; D307-A311 PolarHBondContact O-N 3.37Å; L308-A311 PolarHBondContact O-N 3.29Å; A311-D314 PolarHBondContact O-N 3.04Å; A311-W315 PolarHBondContact O-N 2.92Å
312	V	98.3	Very high	96.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-70	-38.1	178.1	171	0	0	0	0	111.6	L308 Y309 K310 W315 M316 L342 M354 T358 V360	L308-V312 HydrophobicContact CD1-CG2 3.99Å; L308-V312 HydrophobicContact CG-CG2 4.48Å; L308-V312 WeakPolarHBondContact O-CB 3.44Å; L308-V312 VanDerWaalsContact O-CG2 3.25Å; L308-V312 WeakPolarHBondContact O-CG2 3.42Å; L308-V312 PolarHBondContact O-N 3.34Å; Y309-V312 PolarHBondContact O-N 3.26Å; K310-V312 VanDerWaalsContact C-N 3.32Å; K310-V312 PolarHBondContact O-N 2.98Å; V312-W315 WeakPolarHBondContact O-CB 2.91Å; V312-W315 PolarHBondContact O-N 3.07Å; V312-M316 WeakPolarHBondContact O-CG 3.26Å; V312-M316 PolarHBondContact O-N 3.2Å; V312-L342 HydrophobicContact CG2-CD1 4.41Å; V312-L342 HydrophobicContact CG2-CD2 4.19Å; V312-M354 HydrophobicContact CG1-CG 4.29Å; V312-M354 HydrophobicContact CG2-CG 4.05Å; V312-M354 HydrophobicContact CG2-SD 3.85Å; V312-T358 HydrophobicContact CB-CG2 4.18Å; V312-T358 HydrophobicContact CG1-CG2 3.98Å; V312-V360 HydrophobicContact CG1-CB 3.43Å; V312-V360 VanDerWaalsContact CG1-CB 3.43Å; V312-V360 HydrophobicContact CG1-CG1 3.88Å; V312-V360 HydrophobicContact CG1-CG2 3.67Å
313	N	98	Very high	96.4	Very high	56 Å²	56	50.2 Å²	50.2	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-69.9	-35.5	174.1	-74.2	-38.3	0	0	0	112.2	Y309 K310 W315 M316 A317 T358 K359	Y309-N313 VanDerWaalsContact O-CB 3.24Å; Y309-N313 WeakPolarHBondContact O-CB 3.31Å; Y309-N313 PolarHBondContact O-N 3.2Å; Y309-N313 PolarHBondContact O-ND2 3.14Å; K310-N313 PolarHBondContact O-N 3.08Å; N313-W315 VanDerWaalsContact C-N 3.32Å; N313-M316 PolarHBondContact O-N 3.43Å; N313-A317 WeakPolarHBondContact O-CB 3.19Å; N313-A317 PolarHBondContact O-N 3.39Å; N313-T358 WeakPolarHBondContact OD1-CB 3.38Å; N313-K359 PolarHBondContact OD1-N 2.94Å
314	D	97.9	Very high	96.5	Very high	64 Å²	64	52.3 Å²	52.3	34%	0.342	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-41.8	173.1	-71.2	-19.8	0	0	0	110.4	K310 A311 A317 A318	K310-D314 IonicContact NZ-OD1 3.18Å; K310-D314 IonicContact NZ-OD2 3.9Å; K310-D314 PolarHBondContact NZ-OD2 3.28Å; K310-D314 WeakPolarHBondContact O-CB 3.12Å; K310-D314 PolarHBondContact O-N 3.26Å; A311-D314 PolarHBondContact O-N 3.04Å; D314-A317 PolarHBondContact O-N 3.42Å; D314-A318 WeakPolarHBondContact O-CB 3.4Å; D314-A318 PolarHBondContact O-N 2.91Å
315	W	98.4	Very high	96.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-49.2	171.9	168.4	-111.2	0	0	0	112.2	W235 W238 A311 V312 N313 A317 A318 I319 M326 A334 V338 W363	W235-W315 HydrophobicContact CB-CZ3 3.79Å; W235-W315 AromaticContact CD2-CE3 3.74Å; W235-W315 HydrophobicContact CD2-CE3 3.74Å; W235-W315 AromaticContact CD2-CZ3 3.75Å; W235-W315 HydrophobicContact CD2-CZ3 3.75Å; W235-W315 AromaticContact CE3-CE3 3.46Å; W235-W315 HydrophobicContact CE3-CE3 3.46Å; W235-W315 VanDerWaalsContact CE3-CE3 3.46Å; W235-W315 AromaticContact CE3-CZ3 3.86Å; W235-W315 HydrophobicContact CE3-CZ3 3.86Å; W235-W315 HydrophobicContact CG-CE3 4.22Å; W235-W315 AromaticContact CG-CZ3 3.71Å; W235-W315 HydrophobicContact CG-CZ3 3.71Å; W235-W315 HydrophobicContact CZ3-CB 4.38Å; W235-W315 AromaticContact CZ3-CE3 3.88Å; W235-W315 HydrophobicContact CZ3-CE3 3.88Å; W238-W315 HydrophobicContact CH2-CB 4.09Å; W238-W315 HydrophobicContact CZ3-CB 4.37Å; A311-W315 PolarHBondContact O-N 2.92Å; V312-W315 WeakPolarHBondContact O-CB 2.91Å; V312-W315 PolarHBondContact O-N 3.07Å; N313-W315 VanDerWaalsContact C-N 3.32Å; W315-A317 VanDerWaalsContact C-N 3.3Å; W315-A317 PolarHBondContact O-N 2.87Å; W315-A318 WeakPolarHBondContact O-CB 3.39Å; W315-A318 PolarHBondContact O-N 3.23Å; W315-A318 VanDerWaalsContact O-N 3.12Å; W315-I319 HydrophobicContact CD2-CD1 4.26Å; W315-I319 HydrophobicContact CD2-CG1 4.5Å; W315-I319 HydrophobicContact CZ2-CD1 3.73Å; W315-I319 HydrophobicContact CZ2-CG1 4.14Å; W315-I319 PolarHBondContact O-N 3.5Å; W315-I319 VanDerWaalsContact O-N 3.1Å; W315-M326 HydrophobicContact CE3-CE 3.83Å; W315-M326 HydrophobicContact CH2-CB 3.69Å; W315-M326 HydrophobicContact CH2-CE 3.76Å; W315-M326 HydrophobicContact CH2-CG 4.17Å; W315-M326 HydrophobicContact CZ2-CB 4.32Å; W315-M326 HydrophobicContact CZ3-CB 4.4Å; W315-M326 HydrophobicContact CZ3-CE 3.28Å; W315-M326 HydrophobicContact CZ3-CG 4.45Å; W315-A334 HydrophobicContact CH2-CB 4.14Å; W315-A334 HydrophobicContact CZ3-CB 4.41Å; W315-V338 HydrophobicContact CD2-CB 4.28Å; W315-V338 HydrophobicContact CD2-CG1 3.99Å; W315-V338 HydrophobicContact CD2-CG2 3.94Å; W315-V338 HydrophobicContact CE3-CG2 3.85Å; W315-V338 HydrophobicContact CG-CG1 4.04Å; W315-V338 HydrophobicContact CH2-CB 4.4Å; W315-V338 HydrophobicContact CH2-CG2 3.94Å; W315-V338 HydrophobicContact CZ2-CB 4.04Å; W315-V338 HydrophobicContact CZ2-CG1 4.4Å; W315-V338 HydrophobicContact CZ2-CG2 4.05Å; W315-V338 HydrophobicContact CZ3-CG2 3.83Å; W315-W363 AromaticContact CE2-CE2 4Å; W315-W363 AromaticContact CE2-CZ2 3.7Å; W315-W363 AromaticContact CZ2-CE2 3.96Å; W315-W363 HydrophobicContact CZ2-CH2 4.37Å; W315-W363 AromaticContact CZ2-CZ2 3.58Å; W315-W363 HydrophobicContact CZ2-CZ2 3.58Å; W315-W363 AromaticContact NE1-CD2 3.73Å; W315-W363 AromaticContact NE1-CE2 3.4Å; W315-W363 AromaticContact NE1-CE3 3.89Å; W315-W363 AromaticContact NE1-CH2 3.47Å; W315-W363 AromaticContact NE1-CZ2 3.28Å; W315-W363 VanDerWaalsContact NE1-CZ2 3.28Å; W315-W363 AromaticContact NE1-CZ3 3.77Å
316	M	98	Very high	96.6	Very high	33 Å²	33	52.2 Å²	52.2	16%	0.163	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-35.7	178.1	-70	-54.1	-56.2	0	0	112.6	V312 N313 A318 I319 G320 V360 W363	V312-M316 WeakPolarHBondContact O-CG 3.26Å; V312-M316 PolarHBondContact O-N 3.2Å; N313-M316 PolarHBondContact O-N 3.43Å; M316-A318 VanDerWaalsContact C-N 3.31Å; M316-I319 HydrophobicContact SD-CD1 4.25Å; M316-G320 PolarHBondContact O-N 3.49Å; M316-V360 HydrophobicContact CG-CB 4.24Å; M316-V360 HydrophobicContact CG-CG2 4.37Å; M316-V360 HydrophobicContact SD-CB 4.32Å; M316-V360 HydrophobicContact SD-CG2 4.04Å; M316-W363 HydrophobicContact CE-CB 3.81Å; M316-W363 HydrophobicContact SD-CB 3.8Å; M316-W363 HydrophobicContact SD-CD2 4.42Å; M316-W363 HydrophobicContact SD-CG 4.12Å
317	A	97.6	Very high	96.5	Very high	74 Å²	74	49.1 Å²	49.1	61%	0.612	26%	0.264	S	S	*	.	H	α-helix	trans	-65.7	-36.3	174.6	0	0	0	0	0	111.7	N313 D314 W315 G320	N313-A317 WeakPolarHBondContact O-CB 3.19Å; N313-A317 PolarHBondContact O-N 3.39Å; D314-A317 PolarHBondContact O-N 3.42Å; W315-A317 VanDerWaalsContact C-N 3.3Å; W315-A317 PolarHBondContact O-N 2.87Å; A317-G320 PolarHBondContact O-N 3.01Å
318	A	97.2	Very high	96.4	Very high	29 Å²	29	49.5 Å²	49.5	24%	0.24	27%	0.27	C	S	.	.	H	α-helix	trans	-70.5	-37.6	179	0	0	0	0	0	113.7	W235 D314 W315 M316 G320 M326	W235-A318 HydrophobicContact CH2-CB 3.74Å; W235-A318 HydrophobicContact CZ2-CB 3.05Å; D314-A318 WeakPolarHBondContact O-CB 3.4Å; D314-A318 PolarHBondContact O-N 2.91Å; W315-A318 WeakPolarHBondContact O-CB 3.39Å; W315-A318 PolarHBondContact O-N 3.23Å; W315-A318 VanDerWaalsContact O-N 3.12Å; M316-A318 VanDerWaalsContact C-N 3.31Å; A318-G320 PolarHBondContact O-N 3.28Å; A318-M326 HydrophobicContact CB-CE 3.83Å
319	I	96.8	Very high	96.1	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-38.4	169.5	-64.3	170.4	0	0	0	110	W315 M316 K323 M326 W363	W315-I319 HydrophobicContact CD2-CD1 4.26Å; W315-I319 HydrophobicContact CD2-CG1 4.5Å; W315-I319 HydrophobicContact CZ2-CD1 3.73Å; W315-I319 HydrophobicContact CZ2-CG1 4.14Å; W315-I319 PolarHBondContact O-N 3.5Å; W315-I319 VanDerWaalsContact O-N 3.1Å; M316-I319 HydrophobicContact SD-CD1 4.25Å; I319-K323 HydrophobicContact CG2-CB 4.14Å; I319-M326 HydrophobicContact CG1-CB 4.29Å; I319-M326 HydrophobicContact CG1-CE 3.97Å; I319-W363 VanDerWaalsContact CD1-CD1 3.47Å; I319-W363 HydrophobicContact CD1-CD2 4.37Å; I319-W363 HydrophobicContact CD1-CG 4.04Å
320	G	94.7	Very high	96	Very high	35 Å²	35	58 Å²	58	36%	0.361	32%	0.315	S	S	.	.			trans	77.5	-172.1	-176.4	0	0	0	0	0	112.5	M316 A317 A318	M316-G320 PolarHBondContact O-N 3.49Å; A317-G320 PolarHBondContact O-N 3.01Å; A318-G320 PolarHBondContact O-N 3.28Å
321	K	91.3	Very high	95.9	Very high	210 Å²	210	53 Å²	53	91%	0.913	29%	0.293	S	S	*	.	S	Bend	trans	-91.3	-19.3	-175.3	-62	-179.6	-176.8	176	0	113.9
322	N	90.8	Very high	95.9	Very high	165 Å²	165	53.8 Å²	53.8	88%	0.882	30%	0.297	S	S	*	.	S	Bend	trans	-96	-11.8	-168.6	-60.8	-11.8	0	0	0	113.2
323	K	93.4	Very high	95.9	Very high	77 Å²	77	53.9 Å²	53.9	34%	0.335	30%	0.298	S	S	.	.			trans	-109.8	146.1	179.8	-54.9	180	-176.1	174.7	0	110.1	E231 I319 F325	E231-K323 IonicContact OE2-NZ 3.22Å; E231-K323 PolarHBondContact OE2-NZ 3.5Å; I319-K323 HydrophobicContact CG2-CB 4.14Å; K323-F325 WeakPolarHBondContact CB-O 3.21Å
324	K	95.4	Very high	95.9	Very high	105 Å²	105	51.2 Å²	51.2	46%	0.457	28%	0.284	S	S	.	.	S	Bend	trans	-75	-36.3	173.1	-66.4	174.2	-172.3	141	0	111.1	G328 D329 R366	K324-G328 PolarHBondContact N-O 2.96Å; K324-G328 VanDerWaalsContact N-O 3.12Å; K324-D329 IonicContact NZ-OD1 2.72Å; K324-D329 PolarHBondContact NZ-OD1 2.93Å; K324-R366 PolarHBondContact O-NE 3.35Å; K324-R366 PolarHBondContact O-NH2 2.8Å
325	F	97.5	Very high	96	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.035	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-137.7	167.5	-178.3	-56.4	-74.7	0	0	0	110	K323 G327 G328 D329 P331 D335 W363 R366 M367	K323-F325 WeakPolarHBondContact CB-O 3.21Å; F325-G327 PolarHBondContact O-N 2.86Å; F325-G328 PolarHBondContact N-O 3.37Å; F325-G328 PolarHBondContact O-N 2.87Å; F325-D329 WeakPolarHBondContact CD2-O 3.44Å; F325-D329 WeakPolarHBondContact CE2-O 3.46Å; F325-P331 HydrophobicContact CD1-CB 4.44Å; F325-P331 HydrophobicContact CD1-CG 3.87Å; F325-P331 HydrophobicContact CD2-CG 4.08Å; F325-P331 HydrophobicContact CE1-CG 3.79Å; F325-P331 HydrophobicContact CE2-CG 4Å; F325-P331 HydrophobicContact CG-CB 4.48Å; F325-P331 HydrophobicContact CG-CG 3.99Å; F325-P331 HydrophobicContact CZ-CG 3.83Å; F325-D335 WeakPolarHBondContact CB-OD2 3.11Å; F325-W363 AromaticContact CD1-CD1 3.94Å; F325-W363 AromaticContact CD1-NE1 3.9Å; F325-R366 HydrophobicContact CE1-CB 3.7Å; F325-R366 HydrophobicContact CZ-CB 3.69Å; F325-M367 HydrophobicContact CD1-CG 4.18Å; F325-M367 HydrophobicContact CD1-SD 3.46Å; F325-M367 WeakPolarHBondContact CD1-SD 3.44Å; F325-M367 HydrophobicContact CE1-CG 3.95Å; F325-M367 HydrophobicContact CE1-SD 3.45Å; F325-M367 WeakPolarHBondContact CE1-SD 3.45Å
326	M	96.7	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38	171	-174.1	64.9	72.6	0	0	111	E231 W235 W315 A318 I319 G328 A334 D335	E231-M326 VanDerWaalsContact CD-SD 3.51Å; E231-M326 HydrophobicContact CG-CG 4.5Å; E231-M326 HydrophobicContact CG-SD 3.74Å; W235-M326 VanDerWaalsContact CD1-CE 3.46Å; W235-M326 HydrophobicContact CD2-CE 4.18Å; W235-M326 HydrophobicContact CG-CE 3.93Å; W315-M326 HydrophobicContact CE3-CE 3.83Å; W315-M326 HydrophobicContact CH2-CB 3.69Å; W315-M326 HydrophobicContact CH2-CE 3.76Å; W315-M326 HydrophobicContact CH2-CG 4.17Å; W315-M326 HydrophobicContact CZ2-CB 4.32Å; W315-M326 HydrophobicContact CZ3-CB 4.4Å; W315-M326 HydrophobicContact CZ3-CE 3.28Å; W315-M326 HydrophobicContact CZ3-CG 4.45Å; A318-M326 HydrophobicContact CB-CE 3.83Å; I319-M326 HydrophobicContact CG1-CB 4.29Å; I319-M326 HydrophobicContact CG1-CE 3.97Å; M326-G328 PolarHBondContact O-N 3.39Å; M326-A334 HydrophobicContact CG-CB 4.33Å; M326-D335 WeakPolarHBondContact CA-OD2 3.46Å; M326-D335 VanDerWaalsContact CB-OD2 3.29Å; M326-D335 WeakPolarHBondContact CB-OD2 3.49Å; M326-D335 VanDerWaalsContact N-CG 3.28Å; M326-D335 PolarHBondContact N-OD1 3.48Å; M326-D335 PolarHBondContact N-OD2 3.49Å
327	G	95.1	Very high	96	Very high	20 Å²	20	46.9 Å²	46.9	21%	0.206	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-3.6	173.5	0	0	0	0	0	116.4	F325 Q330 D335	F325-G327 PolarHBondContact O-N 2.86Å; G327-Q330 CarbonylContact C-O 3.55Å; G327-Q330 VanDerWaalsContact C-O 3.31Å; G327-Q330 VanDerWaalsContact CA-O 3.28Å; G327-Q330 WeakPolarHBondContact CA-O 3.46Å; G327-D335 PolarHBondContact N-OD2 3.09Å
328	G	94.1	Very high	96.1	Very high	20 Å²	20	43.4 Å²	43.4	21%	0.206	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	98.6	-112.6	-176.1	0	0	0	0	0	111.6	K324 F325 M326	K324-G328 PolarHBondContact N-O 2.96Å; K324-G328 VanDerWaalsContact N-O 3.12Å; F325-G328 PolarHBondContact N-O 3.37Å; F325-G328 PolarHBondContact O-N 2.87Å; M326-G328 PolarHBondContact O-N 3.39Å
329	D	93.3	Very high	96.1	Very high	111 Å²	111	42 Å²	42	59%	0.594	22%	0.221	S	C	*	.	S	Bend	trans	-80.6	-28	178.8	-85.2	-50.3	0	0	0	113.6	K324 F325	K324-D329 IonicContact NZ-OD1 2.72Å; K324-D329 PolarHBondContact NZ-OD1 2.93Å; F325-D329 WeakPolarHBondContact CD2-O 3.44Å; F325-D329 WeakPolarHBondContact CE2-O 3.46Å
330	Q	94.6	Very high	96.2	Very high	91 Å²	91	41.8 Å²	41.8	43%	0.425	22%	0.22	S	C	.	.	S	Bend	trans	-119.4	149.4	177.8	-69.7	-65.9	-8.9	0	0	110.5	Y125 G327	Y125-Q330 PolarHBondContact OH-OE1 3.41Å; G327-Q330 CarbonylContact C-O 3.55Å; G327-Q330 VanDerWaalsContact C-O 3.31Å; G327-Q330 VanDerWaalsContact CA-O 3.28Å; G327-Q330 WeakPolarHBondContact CA-O 3.46Å
331	P	97.4	Very high	96.4	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.045	20%	0.203	C	C	.	.			trans	-56.9	136.4	172.1	-24.6	32.6	0	0	0	112.8	Y125 F325 D335 M367 A370	Y125-P331 HydrophobicContact CD2-CG 4.41Å; Y125-P331 HydrophobicContact CE2-CB 4.16Å; Y125-P331 HydrophobicContact CE2-CG 3.73Å; Y125-P331 WeakPolarHBondContact OH-CD 3.48Å; F325-P331 HydrophobicContact CD1-CB 4.44Å; F325-P331 HydrophobicContact CD1-CG 3.87Å; F325-P331 HydrophobicContact CD2-CG 4.08Å; F325-P331 HydrophobicContact CE1-CG 3.79Å; F325-P331 HydrophobicContact CE2-CG 4Å; F325-P331 HydrophobicContact CG-CB 4.48Å; F325-P331 HydrophobicContact CG-CG 3.99Å; F325-P331 HydrophobicContact CZ-CG 3.83Å; P331-D335 HydrophobicContact CB-CB 3.93Å; P331-M367 HydrophobicContact CB-CE 3.87Å; P331-M367 HydrophobicContact CB-SD 3.7Å; P331-M367 HydrophobicContact CG-CE 4.13Å; P331-M367 HydrophobicContact CG-SD 3.58Å; P331-M367 VanDerWaalsContact CG-SD 3.58Å; P331-A370 HydrophobicContact CG-CB 4.13Å
332	N	97.4	Very high	96.7	Very high	18 Å²	18	30.1 Å²	30.1	10%	0.096	16%	0.159	C	C	.	.			trans	-101.2	-174.4	167.4	77.4	4	0	0	0	111.5	E232 A334 D335 L336	E232-N332 VanDerWaalsContact OE2-CB 3.26Å; E232-N332 WeakPolarHBondContact OE2-CB 3.41Å; N332-A334 PolarHBondContact O-N 3.22Å; N332-A334 WeakPolarHBondContact OD1-CA 3.32Å; N332-A334 VanDerWaalsContact OD1-CB 3.3Å; N332-A334 WeakPolarHBondContact OD1-CB 3.38Å; N332-A334 PolarHBondContact OD1-N 2.66Å; N332-D335 PolarHBondContact N-OD2 2.87Å; N332-D335 PolarHBondContact O-N 3.49Å; N332-D335 PolarHBondContact OD1-N 3.12Å; N332-D335 PolarHBondContact OD1-OD2 2.77Å; N332-D335 VanDerWaalsContact OD1-OD2 3.12Å; N332-L336 WeakPolarHBondContact O-CG 3.37Å; N332-L336 PolarHBondContact O-N 3.29Å; N332-L336 VanDerWaalsContact O-N 3.12Å
333	L	98.4	Very high	97.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-67.4	-23.2	-177.9	-58.6	-176.7	0	0	0	113.2	F122 I169 R173 L212 E232 R236 L336 A337	F122-L333 HydrophobicContact CD2-CD2 3.79Å; F122-L333 HydrophobicContact CE2-CD2 3.78Å; I169-L333 HydrophobicContact CG2-CD1 4.17Å; I169-L333 HydrophobicContact CG2-CD2 3.82Å; I169-L333 HydrophobicContact CG2-CG 4.46Å; R173-L333 HydrophobicContact CB-CD1 4.3Å; R173-L333 HydrophobicContact CB-CD2 4.44Å; R173-L333 HydrophobicContact CG-CD1 4.12Å; R173-L333 HydrophobicContact CG-CD2 4.22Å; L212-L333 HydrophobicContact CD1-CD1 4.05Å; L212-L333 HydrophobicContact CD2-CD1 3.84Å; L212-L333 HydrophobicContact CG-CD1 4.26Å; E232-L333 HydrophobicContact CG-CB 4.13Å; E232-L333 WeakPolarHBondContact OE2-CB 3.44Å; E232-L333 PolarHBondContact OE2-N 3.1Å; R236-L333 HydrophobicContact CG-CB 4.38Å; L333-L336 HydrophobicContact CD2-CD1 4.24Å; L333-A337 VanDerWaalsContact O-CB 3.24Å; L333-A337 WeakPolarHBondContact O-CB 3.39Å; L333-A337 PolarHBondContact O-N 3.16Å
334	A	98.5	Very high	97.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-72.9	-42.2	173.5	0	0	0	0	0	111.4	E232 W235 R236 W315 M326 N332 L336 A337 V338	E232-A334 HydrophobicContact CG-CB 3.93Å; W235-A334 HydrophobicContact CB-CB 3.65Å; R236-A334 HydrophobicContact CG-CB 4.21Å; W315-A334 HydrophobicContact CH2-CB 4.14Å; W315-A334 HydrophobicContact CZ3-CB 4.41Å; M326-A334 HydrophobicContact CG-CB 4.33Å; N332-A334 PolarHBondContact O-N 3.22Å; N332-A334 WeakPolarHBondContact OD1-CA 3.32Å; N332-A334 VanDerWaalsContact OD1-CB 3.3Å; N332-A334 WeakPolarHBondContact OD1-CB 3.38Å; N332-A334 PolarHBondContact OD1-N 2.66Å; A334-L336 PolarHBondContact O-N 3.08Å; A334-A337 WeakPolarHBondContact O-CB 3.31Å; A334-A337 PolarHBondContact O-N 3.43Å; A334-V338 WeakPolarHBondContact O-CG2 3.38Å; A334-V338 PolarHBondContact O-N 3.4Å
335	D	98.7	Very high	97.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58	-48.8	173.9	-68.8	-74	0	0	0	111.2	F325 M326 G327 P331 N332 A337 V338 F339 W363 M367	F325-D335 WeakPolarHBondContact CB-OD2 3.11Å; M326-D335 WeakPolarHBondContact CA-OD2 3.46Å; M326-D335 VanDerWaalsContact CB-OD2 3.29Å; M326-D335 WeakPolarHBondContact CB-OD2 3.49Å; M326-D335 VanDerWaalsContact N-CG 3.28Å; M326-D335 PolarHBondContact N-OD1 3.48Å; M326-D335 PolarHBondContact N-OD2 3.49Å; G327-D335 PolarHBondContact N-OD2 3.09Å; P331-D335 HydrophobicContact CB-CB 3.93Å; N332-D335 PolarHBondContact N-OD2 2.87Å; N332-D335 PolarHBondContact O-N 3.49Å; N332-D335 PolarHBondContact OD1-N 3.12Å; N332-D335 PolarHBondContact OD1-OD2 2.77Å; N332-D335 VanDerWaalsContact OD1-OD2 3.12Å; D335-A337 VanDerWaalsContact C-N 3.28Å; D335-A337 PolarHBondContact O-N 2.88Å; D335-V338 PolarHBondContact O-N 3.35Å; D335-F339 WeakPolarHBondContact O-CB 3.4Å; D335-F339 PolarHBondContact O-N 2.96Å; D335-W363 HydrophobicContact CB-CZ2 4.4Å; D335-W363 PolarHBondContact OD1-NE1 3.49Å; D335-M367 HydrophobicContact CB-CE 3.89Å; D335-M367 HydrophobicContact CB-SD 3.74Å
336	L	98.7	Very high	97.3	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-62.4	-36.3	177.3	-63.7	168.8	0	0	0	112	F122 Y125 Y126 N332 L333 A334 G340 M367 T371	F122-L336 HydrophobicContact CD2-CD1 4.18Å; Y125-L336 HydrophobicContact CD1-CD1 3.78Å; Y125-L336 HydrophobicContact CD1-CD2 4.05Å; Y125-L336 HydrophobicContact CD1-CG 4.45Å; Y125-L336 HydrophobicContact CD2-CD2 4.36Å; Y125-L336 HydrophobicContact CE1-CD1 4.43Å; Y125-L336 HydrophobicContact CG-CD1 4.32Å; Y125-L336 HydrophobicContact CG-CD2 3.74Å; Y126-L336 HydrophobicContact CE2-CD1 4.08Å; N332-L336 WeakPolarHBondContact O-CG 3.37Å; N332-L336 PolarHBondContact O-N 3.29Å; N332-L336 VanDerWaalsContact O-N 3.12Å; L333-L336 HydrophobicContact CD2-CD1 4.24Å; A334-L336 PolarHBondContact O-N 3.08Å; L336-G340 PolarHBondContact O-N 3.44Å; L336-M367 HydrophobicContact CD2-CE 3.73Å; L336-M367 HydrophobicContact CG-CE 4.31Å; L336-T371 HydrophobicContact CD2-CG2 4.18Å
337	A	98.6	Very high	97.1	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-53.4	176.4	0	0	0	0	0	111.9	K118 R236 A239 L333 A334 D335 V341	K118-A337 HydrophobicContact CD-CB 3.91Å; K118-A337 HydrophobicContact CG-CB 4.36Å; R236-A337 HydrophobicContact CG-CB 4.35Å; A239-A337 HydrophobicContact CB-CB 4.07Å; L333-A337 VanDerWaalsContact O-CB 3.24Å; L333-A337 WeakPolarHBondContact O-CB 3.39Å; L333-A337 PolarHBondContact O-N 3.16Å; A334-A337 WeakPolarHBondContact O-CB 3.31Å; A334-A337 PolarHBondContact O-N 3.43Å; D335-A337 VanDerWaalsContact C-N 3.28Å; D335-A337 PolarHBondContact O-N 2.88Å; A337-V341 VanDerWaalsContact O-CG2 3.29Å; A337-V341 WeakPolarHBondContact O-CG2 3.43Å; A337-V341 PolarHBondContact O-N 2.93Å; A337-V341 VanDerWaalsContact O-N 3.11Å
338	V	98.8	Very high	97.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-44.7	-179.1	175.9	0	0	0	0	110.9	W238 A239 L243 W315 A334 D335 G340 V341 L342 W363	W238-V338 HydrophobicContact CE3-CG2 4.25Å; W238-V338 HydrophobicContact CZ3-CG2 3.9Å; A239-V338 HydrophobicContact CB-CG2 4.22Å; L243-V338 HydrophobicContact CD2-CB 4.38Å; L243-V338 HydrophobicContact CD2-CG1 3.82Å; L243-V338 HydrophobicContact CD2-CG2 4.42Å; W315-V338 HydrophobicContact CD2-CB 4.28Å; W315-V338 HydrophobicContact CD2-CG1 3.99Å; W315-V338 HydrophobicContact CD2-CG2 3.94Å; W315-V338 HydrophobicContact CE3-CG2 3.85Å; W315-V338 HydrophobicContact CG-CG1 4.04Å; W315-V338 HydrophobicContact CH2-CB 4.4Å; W315-V338 HydrophobicContact CH2-CG2 3.94Å; W315-V338 HydrophobicContact CZ2-CB 4.04Å; W315-V338 HydrophobicContact CZ2-CG1 4.4Å; W315-V338 HydrophobicContact CZ2-CG2 4.05Å; W315-V338 HydrophobicContact CZ3-CG2 3.83Å; A334-V338 WeakPolarHBondContact O-CG2 3.38Å; A334-V338 PolarHBondContact O-N 3.4Å; D335-V338 PolarHBondContact O-N 3.35Å; V338-G340 PolarHBondContact O-N 3.33Å; V338-V341 PolarHBondContact O-N 3.15Å; V338-L342 HydrophobicContact CG1-CD1 3.96Å; V338-L342 HydrophobicContact CG1-CG 4.34Å; V338-L342 WeakPolarHBondContact O-CG 3.43Å; V338-L342 PolarHBondContact O-N 3.35Å; V338-W363 HydrophobicContact CB-CH2 4.08Å; V338-W363 HydrophobicContact CB-CZ2 4.46Å; V338-W363 HydrophobicContact CG1-CH2 3.75Å; V338-W363 HydrophobicContact CG1-CZ2 4.45Å; V338-W363 HydrophobicContact CG1-CZ3 4.38Å
339	F	98.8	Very high	97.4	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-58.9	-49.8	177.8	173.7	-111.8	0	0	0	111.3	A121 D335 V341 L342 R343 W363 Y364 M367 E368 T371	A121-F339 HydrophobicContact CB-CD1 3.94Å; A121-F339 HydrophobicContact CB-CE1 4.36Å; D335-F339 WeakPolarHBondContact O-CB 3.4Å; D335-F339 PolarHBondContact O-N 2.96Å; F339-V341 VanDerWaalsContact C-N 3.28Å; F339-V341 PolarHBondContact O-N 2.84Å; F339-L342 PolarHBondContact O-N 2.84Å; F339-R343 VanDerWaalsContact O-CB 3.27Å; F339-R343 WeakPolarHBondContact O-CB 3.43Å; F339-R343 PolarHBondContact O-N 3.23Å; F339-W363 HydrophobicContact CB-CH2 3.92Å; F339-W363 HydrophobicContact CB-CZ2 4.39Å; F339-Y364 AromaticContact CD2-CD2 3.99Å; F339-Y364 HydrophobicContact CD2-CD2 3.99Å; F339-Y364 HydrophobicContact CD2-CE1 4.48Å; F339-Y364 AromaticContact CD2-CE2 3.64Å; F339-Y364 HydrophobicContact CD2-CE2 3.64Å; F339-Y364 AromaticContact CD2-CZ 3.91Å; F339-Y364 HydrophobicContact CE2-CD1 4.29Å; F339-Y364 HydrophobicContact CE2-CD2 4.25Å; F339-Y364 AromaticContact CE2-CE1 3.8Å; F339-Y364 HydrophobicContact CE2-CE1 3.8Å; F339-Y364 AromaticContact CE2-CE2 3.75Å; F339-Y364 HydrophobicContact CE2-CE2 3.75Å; F339-Y364 HydrophobicContact CE2-CG 4.49Å; F339-Y364 AromaticContact CE2-CZ 3.5Å; F339-M367 HydrophobicContact CB-CB 4.18Å; F339-M367 HydrophobicContact CB-CE 3.77Å; F339-M367 HydrophobicContact CB-CG 4.21Å; F339-M367 HydrophobicContact CD1-CB 4.32Å; F339-M367 HydrophobicContact CD1-CE 4.19Å; F339-M367 HydrophobicContact CD2-CB 3.45Å; F339-M367 VanDerWaalsContact CD2-CB 3.45Å; F339-M367 HydrophobicContact CD2-CG 4.26Å; F339-M367 HydrophobicContact CE2-CB 3.84Å; F339-M367 HydrophobicContact CG-CB 3.73Å; F339-M367 HydrophobicContact CG-CE 4.05Å; F339-M367 HydrophobicContact CG-CG 4.3Å; F339-M367 HydrophobicContact CZ-CB 4.42Å; F339-E368 HydrophobicContact CE2-CB 4.2Å; F339-E368 HydrophobicContact CZ-CB 4.15Å; F339-T371 HydrophobicContact CD1-CG2 4.03Å; F339-T371 HydrophobicContact CE1-CG2 3.66Å
340	G	98.3	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.2	-37.4	178.3	0	0	0	0	0	113.2	S117 L336 V338	S117-G340 WeakPolarHBondContact CB-O 3.36Å; S117-G340 PolarHBondContact OG-O 3.34Å; L336-G340 PolarHBondContact O-N 3.44Å; V338-G340 PolarHBondContact O-N 3.33Å
341	V	98.6	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.8	-43.3	176.5	172	0	0	0	0	112	P114 L243 V244 I247 A337 V338 F339 V344	P114-V341 HydrophobicContact CB-CB 4.45Å; P114-V341 HydrophobicContact CB-CG1 4.3Å; P114-V341 HydrophobicContact CB-CG2 4.23Å; L243-V341 HydrophobicContact CB-CG1 4.33Å; L243-V341 HydrophobicContact CD2-CB 3.98Å; L243-V341 HydrophobicContact CD2-CG1 3.72Å; L243-V341 HydrophobicContact CG-CB 4.5Å; L243-V341 HydrophobicContact CG-CG1 3.71Å; V244-V341 HydrophobicContact CB-CG1 4.46Å; V244-V341 HydrophobicContact CG1-CB 4.34Å; V244-V341 HydrophobicContact CG1-CG1 3.68Å; V244-V341 HydrophobicContact CG1-CG2 3.62Å; I247-V341 HydrophobicContact CD1-CG1 4.14Å; I247-V341 HydrophobicContact CG1-CG1 4.21Å; A337-V341 VanDerWaalsContact O-CG2 3.29Å; A337-V341 WeakPolarHBondContact O-CG2 3.43Å; A337-V341 PolarHBondContact O-N 2.93Å; A337-V341 VanDerWaalsContact O-N 3.11Å; V338-V341 PolarHBondContact O-N 3.15Å; F339-V341 VanDerWaalsContact C-N 3.28Å; F339-V341 PolarHBondContact O-N 2.84Å; V341-V344 VanDerWaalsContact O-CG2 3.25Å; V341-V344 WeakPolarHBondContact O-CG2 3.27Å
342	L	98.4	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.8	-35.4	-179.6	-67.2	-179.9	0	0	0	112.6	L243 V312 V338 F339 V344 M345 M354 V360 W363 Y364	L243-L342 HydrophobicContact CD1-CD2 4.05Å; L243-L342 HydrophobicContact CD2-CD2 4.14Å; L243-L342 HydrophobicContact CD2-CG 4.22Å; L243-L342 HydrophobicContact CG-CD2 4.39Å; V312-L342 HydrophobicContact CG2-CD1 4.41Å; V312-L342 HydrophobicContact CG2-CD2 4.19Å; V338-L342 HydrophobicContact CG1-CD1 3.96Å; V338-L342 HydrophobicContact CG1-CG 4.34Å; V338-L342 WeakPolarHBondContact O-CG 3.43Å; V338-L342 PolarHBondContact O-N 3.35Å; F339-L342 PolarHBondContact O-N 2.84Å; L342-V344 PolarHBondContact O-N 2.79Å; L342-M345 HydrophobicContact CD2-CE 3.86Å; L342-M345 PolarHBondContact O-N 3.25Å; L342-M354 HydrophobicContact CD1-SD 4.07Å; L342-M354 HydrophobicContact CD2-SD 3.73Å; L342-M354 HydrophobicContact CG-SD 4.35Å; L342-V360 HydrophobicContact CD1-CG2 4.46Å; L342-W363 HydrophobicContact CD1-CZ3 4.18Å; L342-Y364 HydrophobicContact CB-CE2 4.01Å
343	R	97.9	Very high	97.8	Very high	28 Å²	28	21.1 Å²	21.1	11%	0.106	12%	0.123	C	C	.	.	H	α-helix	trans	-55.5	-25.8	-179	-177.7	169.4	68.9	168.8	0.2	114.7	S117 D124 F339 M345 E346 Y364	S117-R343 PolarHBondContact O-NH2 3.44Å; S117-R343 PolarHBondContact OG-NE 3.38Å; S117-R343 VanDerWaalsContact OG-NE 3.1Å; S117-R343 PolarHBondContact OG-NH2 2.81Å; D124-R343 IonicContact OD2-CZ 2.67Å; D124-R343 IonicContact OD2-NH1 2.85Å; D124-R343 PolarHBondContact OD2-NH1 3.34Å; D124-R343 IonicContact OD2-NH2 3.45Å; F339-R343 VanDerWaalsContact O-CB 3.27Å; F339-R343 WeakPolarHBondContact O-CB 3.43Å; F339-R343 PolarHBondContact O-N 3.23Å; R343-M345 PolarHBondContact O-N 3.47Å; R343-E346 HydrophobicContact CG-CG 4.49Å; R343-E346 WeakPolarHBondContact O-CB 3.44Å; R343-E346 WeakPolarHBondContact O-CG 3.4Å; R343-E346 PolarHBondContact O-N 3.29Å; R343-Y364 WeakPolarHBondContact CA-OH 3.33Å; R343-Y364 WeakPolarHBondContact CB-OH 3.35Å
344	V	96.9	Very high	97.8	Very high	10 Å²	10	21 Å²	21	6%	0.061	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.6	179.2	-53.1	0	0	0	0	114.2	P114 S117 I247 V341 L342	P114-V344 HydrophobicContact CB-CG1 4.17Å; P114-V344 HydrophobicContact CB-CG2 4.32Å; S117-V344 VanDerWaalsContact CB-CG1 3.49Å; I247-V344 HydrophobicContact CG2-CG2 3.94Å; V341-V344 VanDerWaalsContact O-CG2 3.25Å; V341-V344 WeakPolarHBondContact O-CG2 3.27Å; L342-V344 PolarHBondContact O-N 2.79Å
345	M	97.4	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.3	176.3	-59.9	-171.8	-66.1	0	0	113	I247 V251 L308 L342 R343 G347 L348 A350 F351 M354	I247-M345 HydrophobicContact CD1-CE 3.73Å; I247-M345 HydrophobicContact CD1-CG 3.92Å; I247-M345 HydrophobicContact CD1-SD 3.53Å; I247-M345 VanDerWaalsContact CD1-SD 3.53Å; I247-M345 HydrophobicContact CG2-CG 4.01Å; I247-M345 HydrophobicContact CG2-SD 4.32Å; V251-M345 HydrophobicContact CG1-CB 4.48Å; V251-M345 HydrophobicContact CG1-CG 3.79Å; V251-M345 HydrophobicContact CG1-SD 4.02Å; L308-M345 HydrophobicContact CD1-CE 4.16Å; L308-M345 HydrophobicContact CD2-CE 4.14Å; L308-M345 HydrophobicContact CD2-SD 4.38Å; L342-M345 HydrophobicContact CD2-CE 3.86Å; L342-M345 PolarHBondContact O-N 3.25Å; R343-M345 PolarHBondContact O-N 3.47Å; M345-G347 PolarHBondContact O-N 3.49Å; M345-L348 VanDerWaalsContact O-CB 3.23Å; M345-L348 WeakPolarHBondContact O-CB 3.25Å; M345-L348 WeakPolarHBondContact O-CG 3.37Å; M345-L348 PolarHBondContact O-N 3.46Å; M345-A350 HydrophobicContact SD-CB 4.11Å; M345-F351 HydrophobicContact CB-CB 3.87Å; M345-F351 HydrophobicContact CB-CD2 4.32Å; M345-F351 WeakPolarHBondContact O-CB 3.44Å; M345-M354 HydrophobicContact CE-SD 4.05Å
346	E	96.3	Very high	97.8	Very high	53 Å²	53	25.9 Å²	25.9	25%	0.248	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	136.3	179.4	-76.5	179.1	179.8	0	0	112.1	R343 L348 F351 Y364	R343-E346 HydrophobicContact CG-CG 4.49Å; R343-E346 WeakPolarHBondContact O-CB 3.44Å; R343-E346 WeakPolarHBondContact O-CG 3.4Å; R343-E346 PolarHBondContact O-N 3.29Å; E346-L348 PolarHBondContact O-N 3.5Å; E346-F351 HydrophobicContact CG-CD1 4.48Å; E346-F351 HydrophobicContact CG-CD2 4.04Å; E346-F351 HydrophobicContact CG-CE1 4.16Å; E346-F351 HydrophobicContact CG-CE2 3.7Å; E346-F351 HydrophobicContact CG-CG 4.42Å; E346-F351 HydrophobicContact CG-CZ 3.76Å; E346-Y364 WeakPolarHBondContact OE1-CE1 3.42Å; E346-Y364 PolarHBondContact OE1-OH 3.18Å
347	G	94.1	Very high	97.7	Very high	74 Å²	74	30.2 Å²	30.2	76%	0.763	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	1.2	-175.6	0	0	0	0	0	114.8	M345	M345-G347 PolarHBondContact O-N 3.49Å
348	L	96.8	Very high	97.7	Very high	15 Å²	15	30.9 Å²	30.9	8%	0.079	19%	0.186	C	C	.	.	S	Bend	trans	-108.4	151.6	173.9	-51.6	176.6	0	0	0	110.7	V251 Y264 M345 E346 A350 F351 D352	V251-L348 HydrophobicContact CB-CD1 4Å; V251-L348 HydrophobicContact CG1-CD1 3.79Å; Y264-L348 HydrophobicContact CD1-CD1 4.43Å; Y264-L348 HydrophobicContact CD1-CD2 4.37Å; Y264-L348 HydrophobicContact CG-CD2 4.45Å; M345-L348 VanDerWaalsContact O-CB 3.23Å; M345-L348 WeakPolarHBondContact O-CB 3.25Å; M345-L348 WeakPolarHBondContact O-CG 3.37Å; M345-L348 PolarHBondContact O-N 3.46Å; E346-L348 PolarHBondContact O-N 3.5Å; L348-A350 PolarHBondContact O-N 2.88Å; L348-A350 VanDerWaalsContact O-N 3.07Å; L348-F351 WeakPolarHBondContact O-CB 3.25Å; L348-F351 PolarHBondContact O-N 3.33Å; L348-D352 PolarHBondContact O-N 2.72Å
349	Q	97.7	Very high	97.5	Very high	98 Å²	98	38.8 Å²	38.8	46%	0.458	22%	0.221	S	C	.	.	H	α-helix	trans	-53.2	-35.6	178.6	-174.1	179.3	-4.7	0	0	113.1	E257 F351 D352 D353	E257-Q349 HydrophobicContact CG-CB 4.43Å; Q349-F351 PolarHBondContact O-N 2.88Å; Q349-D352 PolarHBondContact O-N 3.11Å; Q349-D353 VanDerWaalsContact O-CB 3.26Å; Q349-D353 WeakPolarHBondContact O-CB 3.32Å; Q349-D353 PolarHBondContact O-N 2.76Å
350	A	97.4	Very high	97.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-33	178.1	0	0	0	0	0	113.5	N250 V251 R305 M345 L348 M354	N250-A350 HydrophobicContact CB-CB 4.25Å; V251-A350 HydrophobicContact CG1-CB 4.06Å; R305-A350 VanDerWaalsContact CZ-CA 3.5Å; R305-A350 VanDerWaalsContact NH2-CA 3.33Å; M345-A350 HydrophobicContact SD-CB 4.11Å; L348-A350 PolarHBondContact O-N 2.88Å; L348-A350 VanDerWaalsContact O-N 3.07Å; A350-M354 VanDerWaalsContact O-CB 3.32Å; A350-M354 WeakPolarHBondContact O-CB 3.24Å; A350-M354 PolarHBondContact O-N 3.44Å; A350-M354 VanDerWaalsContact O-N 3.1Å
351	F	98.3	Very high	97.5	Very high	20 Å²	20	44.3 Å²	44.3	9%	0.088	25%	0.245	C	C	.	.	H	α-helix	trans	-74.3	-45.4	176.7	-178	-93	0	0	0	111.4	M345 E346 L348 Q349 D353 M354 M355 Y364	M345-F351 HydrophobicContact CB-CB 3.87Å; M345-F351 HydrophobicContact CB-CD2 4.32Å; M345-F351 WeakPolarHBondContact O-CB 3.44Å; E346-F351 HydrophobicContact CG-CD1 4.48Å; E346-F351 HydrophobicContact CG-CD2 4.04Å; E346-F351 HydrophobicContact CG-CE1 4.16Å; E346-F351 HydrophobicContact CG-CE2 3.7Å; E346-F351 HydrophobicContact CG-CG 4.42Å; E346-F351 HydrophobicContact CG-CZ 3.76Å; L348-F351 WeakPolarHBondContact O-CB 3.25Å; L348-F351 PolarHBondContact O-N 3.33Å; Q349-F351 PolarHBondContact O-N 2.88Å; F351-D353 VanDerWaalsContact C-N 3.32Å; F351-D353 PolarHBondContact O-N 3.4Å; F351-M354 HydrophobicContact CD2-CE 3.62Å; F351-M354 HydrophobicContact CE2-CE 3.71Å; F351-M354 HydrophobicContact CG-CE 4.38Å; F351-M354 WeakPolarHBondContact O-CB 3.48Å; F351-M354 PolarHBondContact O-N 2.9Å; F351-M355 HydrophobicContact CD1-CG 3.96Å; F351-M355 HydrophobicContact CE1-CE 4.26Å; F351-M355 HydrophobicContact CE1-CG 3.66Å; F351-M355 HydrophobicContact CE1-SD 4.41Å; F351-M355 HydrophobicContact CE2-CG 4.37Å; F351-M355 HydrophobicContact CG-CG 4.44Å; F351-M355 HydrophobicContact CZ-CE 4.06Å; F351-M355 HydrophobicContact CZ-CG 3.88Å; F351-M355 HydrophobicContact CZ-SD 4.09Å; F351-M355 WeakPolarHBondContact O-CB 3.45Å; F351-M355 WeakPolarHBondContact O-CG 3.45Å; F351-M355 PolarHBondContact O-N 3.39Å; F351-Y364 HydrophobicContact CE2-CD2 4.44Å; F351-Y364 AromaticContact CE2-CE1 3.9Å; F351-Y364 HydrophobicContact CE2-CE1 3.9Å; F351-Y364 AromaticContact CE2-CE2 3.82Å; F351-Y364 HydrophobicContact CE2-CE2 3.82Å; F351-Y364 AromaticContact CE2-CZ 3.52Å; F351-Y364 HydrophobicContact CZ-CD1 4.07Å; F351-Y364 AromaticContact CZ-CE1 3.58Å; F351-Y364 HydrophobicContact CZ-CE1 3.58Å; F351-Y364 HydrophobicContact CZ-CE2 4.31Å; F351-Y364 AromaticContact CZ-CZ 3.72Å
352	D	98.2	Very high	97.4	Very high	97 Å²	97	48 Å²	48	52%	0.519	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-45.6	177.5	-62.7	-30.8	0	0	0	111.1	L348 Q349 M354 M355 A356	L348-D352 PolarHBondContact O-N 2.72Å; Q349-D352 PolarHBondContact O-N 3.11Å; D352-M354 PolarHBondContact O-N 3.31Å; D352-M355 PolarHBondContact O-N 3.19Å; D352-A356 WeakPolarHBondContact O-CB 3.36Å; D352-A356 PolarHBondContact O-N 3.23Å
353	D	98	Very high	97.4	Very high	37 Å²	37	48 Å²	48	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-48.1	174.4	-77.6	-14.8	0	0	0	111.5	R305 Y309 Q349 F351 M355 A356 N357	R305-D353 IonicContact CZ-OD2 3.42Å; R305-D353 IonicContact NE-OD2 2.77Å; R305-D353 PolarHBondContact NE-OD2 3.49Å; R305-D353 IonicContact NH2-OD2 2.82Å; R305-D353 PolarHBondContact NH2-OD2 3.2Å; Y309-D353 HydrophobicContact CE1-CB 4.38Å; Y309-D353 WeakPolarHBondContact OH-CB 3.15Å; Q349-D353 VanDerWaalsContact O-CB 3.26Å; Q349-D353 WeakPolarHBondContact O-CB 3.32Å; Q349-D353 PolarHBondContact O-N 2.76Å; F351-D353 VanDerWaalsContact C-N 3.32Å; F351-D353 PolarHBondContact O-N 3.4Å; D353-M355 PolarHBondContact O-N 2.92Å; D353-A356 PolarHBondContact O-N 3.47Å; D353-N357 WeakPolarHBondContact O-CB 3.46Å; D353-N357 PolarHBondContact O-N 3.23Å; D353-N357 PolarHBondContact O-ND2 3.42Å
354	M	98.2	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-44.4	176.6	176.9	-164.2	70.8	0	0	111.7	L308 V312 L342 M345 A350 F351 D352 A356 T358 V360	L308-M354 HydrophobicContact CD2-CB 4.12Å; V312-M354 HydrophobicContact CG1-CG 4.29Å; V312-M354 HydrophobicContact CG2-CG 4.05Å; V312-M354 HydrophobicContact CG2-SD 3.85Å; L342-M354 HydrophobicContact CD1-SD 4.07Å; L342-M354 HydrophobicContact CD2-SD 3.73Å; L342-M354 HydrophobicContact CG-SD 4.35Å; M345-M354 HydrophobicContact CE-SD 4.05Å; A350-M354 VanDerWaalsContact O-CB 3.32Å; A350-M354 WeakPolarHBondContact O-CB 3.24Å; A350-M354 PolarHBondContact O-N 3.44Å; A350-M354 VanDerWaalsContact O-N 3.1Å; F351-M354 HydrophobicContact CD2-CE 3.62Å; F351-M354 HydrophobicContact CE2-CE 3.71Å; F351-M354 HydrophobicContact CG-CE 4.38Å; F351-M354 WeakPolarHBondContact O-CB 3.48Å; F351-M354 PolarHBondContact O-N 2.9Å; D352-M354 PolarHBondContact O-N 3.31Å; M354-A356 VanDerWaalsContact C-N 3.31Å; M354-A356 PolarHBondContact O-N 2.94Å; M354-T358 HydrophobicContact CG-CG2 4.48Å; M354-T358 WeakPolarHBondContact O-CB 3.25Å; M354-T358 WeakPolarHBondContact O-CG2 3.41Å; M354-T358 PolarHBondContact O-N 2.83Å; M354-T358 PolarHBondContact O-OG1 2.82Å; M354-V360 HydrophobicContact CE-CG1 4.19Å; M354-V360 HydrophobicContact CG-CG1 4.28Å
355	M	98.1	Very high	97.5	Very high	22 Å²	22	49.8 Å²	49.8	11%	0.108	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-30.7	-178.2	-69.6	-67.7	-91	0	0	112.5	F351 D352 D353 V360 K361 Y364 M365	F351-M355 HydrophobicContact CD1-CG 3.96Å; F351-M355 HydrophobicContact CE1-CE 4.26Å; F351-M355 HydrophobicContact CE1-CG 3.66Å; F351-M355 HydrophobicContact CE1-SD 4.41Å; F351-M355 HydrophobicContact CE2-CG 4.37Å; F351-M355 HydrophobicContact CG-CG 4.44Å; F351-M355 HydrophobicContact CZ-CE 4.06Å; F351-M355 HydrophobicContact CZ-CG 3.88Å; F351-M355 HydrophobicContact CZ-SD 4.09Å; F351-M355 WeakPolarHBondContact O-CB 3.45Å; F351-M355 WeakPolarHBondContact O-CG 3.45Å; F351-M355 PolarHBondContact O-N 3.39Å; D352-M355 PolarHBondContact O-N 3.19Å; D353-M355 PolarHBondContact O-N 2.92Å; M355-V360 HydrophobicContact SD-CG1 3.73Å; M355-K361 HydrophobicContact CE-CB 3.84Å; M355-K361 HydrophobicContact CE-CD 4.35Å; M355-K361 HydrophobicContact CE-CG 3.68Å; M355-K361 HydrophobicContact SD-CB 4.05Å; M355-Y364 HydrophobicContact CE-CD1 4.07Å; M355-Y364 HydrophobicContact CE-CG 4.24Å; M355-Y364 HydrophobicContact SD-CG 4.33Å; M355-M365 HydrophobicContact CE-CE 3.46Å; M355-M365 VanDerWaalsContact CE-CE 3.46Å
356	A	98.1	Very high	97.5	Very high	81 Å²	81	53.4 Å²	53.4	67%	0.669	29%	0.292	S	S	*	.	H	α-helix	trans	-81.6	-35.6	178	0	0	0	0	0	113.3	D352 D353 M354	D352-A356 WeakPolarHBondContact O-CB 3.36Å; D352-A356 PolarHBondContact O-N 3.23Å; D353-A356 PolarHBondContact O-N 3.47Å; M354-A356 VanDerWaalsContact C-N 3.31Å; M354-A356 PolarHBondContact O-N 2.94Å
357	N	97.9	Very high	97.6	Very high	93 Å²	93	50.9 Å²	50.9	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-103.5	6.7	-170.4	-65.7	-81.6	0	0	0	114.3	Y309 D353	Y309-N357 HydrophobicContact CD1-CB 4.21Å; Y309-N357 HydrophobicContact CD2-CB 3.96Å; Y309-N357 HydrophobicContact CE1-CB 3.93Å; Y309-N357 HydrophobicContact CE2-CB 3.62Å; Y309-N357 HydrophobicContact CG-CB 4.24Å; Y309-N357 PolarHBondContact OH-ND2 3.33Å; D353-N357 WeakPolarHBondContact O-CB 3.46Å; D353-N357 PolarHBondContact O-N 3.23Å; D353-N357 PolarHBondContact O-ND2 3.42Å
358	T	97.7	Very high	97.8	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.104	26%	0.259	C	S	.	.	S	Bend	trans	-134.6	168.9	178.2	73.8	0	0	0	0	111.7	Y309 V312 N313 M354 V360	Y309-T358 HydrophobicContact CD1-CG2 3.87Å; Y309-T358 HydrophobicContact CG-CG2 4.13Å; V312-T358 HydrophobicContact CB-CG2 4.18Å; V312-T358 HydrophobicContact CG1-CG2 3.98Å; N313-T358 WeakPolarHBondContact OD1-CB 3.38Å; M354-T358 HydrophobicContact CG-CG2 4.48Å; M354-T358 WeakPolarHBondContact O-CB 3.25Å; M354-T358 WeakPolarHBondContact O-CG2 3.41Å; M354-T358 PolarHBondContact O-N 2.83Å; M354-T358 PolarHBondContact O-OG1 2.82Å; T358-V360 PolarHBondContact O-N 2.99Å; T358-V360 WeakPolarHBondContact OG1-CB 3.36Å; T358-V360 WeakPolarHBondContact OG1-CG1 3.42Å; T358-V360 PolarHBondContact OG1-N 3.39Å
359	K	95.4	Very high	97.9	Very high	167 Å²	167	56.9 Å²	56.9	73%	0.726	28%	0.282	S	S	*	.	S	Bend	trans	-86.8	13.1	177.1	-62.6	177.4	-176.6	173.2	0	113.2	N313 P362	N313-K359 PolarHBondContact OD1-N 2.94Å; K359-P362 WeakPolarHBondContact O-CD 3.21Å
360	V	97.8	Very high	97.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.			trans	-75.8	-28.2	-169.8	77.8	0	0	0	0	113.8	V312 M316 L342 M354 M355 T358 W363 Y364	V312-V360 HydrophobicContact CG1-CB 3.43Å; V312-V360 VanDerWaalsContact CG1-CB 3.43Å; V312-V360 HydrophobicContact CG1-CG1 3.88Å; V312-V360 HydrophobicContact CG1-CG2 3.67Å; M316-V360 HydrophobicContact CG-CB 4.24Å; M316-V360 HydrophobicContact CG-CG2 4.37Å; M316-V360 HydrophobicContact SD-CB 4.32Å; M316-V360 HydrophobicContact SD-CG2 4.04Å; L342-V360 HydrophobicContact CD1-CG2 4.46Å; M354-V360 HydrophobicContact CE-CG1 4.19Å; M354-V360 HydrophobicContact CG-CG1 4.28Å; M355-V360 HydrophobicContact SD-CG1 3.73Å; T358-V360 PolarHBondContact O-N 2.99Å; T358-V360 WeakPolarHBondContact OG1-CB 3.36Å; T358-V360 WeakPolarHBondContact OG1-CG1 3.42Å; T358-V360 PolarHBondContact OG1-N 3.39Å; V360-W363 HydrophobicContact CG2-CE3 3.54Å; V360-W363 HydrophobicContact CG2-CZ3 3.9Å; V360-W363 PolarHBondContact O-N 3.46Å; V360-Y364 PolarHBondContact O-N 2.99Å
361	K	97.7	Very high	97.9	Very high	118 Å²	118	52.4 Å²	52.4	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-49.9	-47.2	-169.9	175.9	171.5	-174.6	176.9	0	114	M355 W363 Y364 M365	M355-K361 HydrophobicContact CE-CB 3.84Å; M355-K361 HydrophobicContact CE-CD 4.35Å; M355-K361 HydrophobicContact CE-CG 3.68Å; M355-K361 HydrophobicContact SD-CB 4.05Å; K361-W363 PolarHBondContact O-N 3.47Å; K361-Y364 PolarHBondContact O-N 2.7Å; K361-M365 HydrophobicContact CG-CG 4.36Å; K361-M365 WeakPolarHBondContact O-CG 3.32Å; K361-M365 PolarHBondContact O-N 2.75Å
362	P	97.3	Very high	97.7	Very high	76 Å²	76	57.2 Å²	57.2	49%	0.494	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-38.9	178.2	-22.8	35	0	0	0	113.8	K359 R366	K359-P362 WeakPolarHBondContact O-CD 3.21Å; P362-R366 WeakPolarHBondContact O-CG 3.42Å; P362-R366 PolarHBondContact O-N 3.13Å; P362-R366 PolarHBondContact O-NH1 2.86Å; P362-R366 VanDerWaalsContact O-NH1 3.16Å
363	W	98.4	Very high	97.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-42.7	176	166.8	89.6	0	0	0	110.8	W315 M316 I319 F325 D335 V338 F339 L342 V360 K361 M365 R366 M367	W315-W363 AromaticContact CE2-CE2 4Å; W315-W363 AromaticContact CE2-CZ2 3.7Å; W315-W363 AromaticContact CZ2-CE2 3.96Å; W315-W363 HydrophobicContact CZ2-CH2 4.37Å; W315-W363 AromaticContact CZ2-CZ2 3.58Å; W315-W363 HydrophobicContact CZ2-CZ2 3.58Å; W315-W363 AromaticContact NE1-CD2 3.73Å; W315-W363 AromaticContact NE1-CE2 3.4Å; W315-W363 AromaticContact NE1-CE3 3.89Å; W315-W363 AromaticContact NE1-CH2 3.47Å; W315-W363 AromaticContact NE1-CZ2 3.28Å; W315-W363 VanDerWaalsContact NE1-CZ2 3.28Å; W315-W363 AromaticContact NE1-CZ3 3.77Å; M316-W363 HydrophobicContact CE-CB 3.81Å; M316-W363 HydrophobicContact SD-CB 3.8Å; M316-W363 HydrophobicContact SD-CD2 4.42Å; M316-W363 HydrophobicContact SD-CG 4.12Å; I319-W363 VanDerWaalsContact CD1-CD1 3.47Å; I319-W363 HydrophobicContact CD1-CD2 4.37Å; I319-W363 HydrophobicContact CD1-CG 4.04Å; F325-W363 AromaticContact CD1-CD1 3.94Å; F325-W363 AromaticContact CD1-NE1 3.9Å; D335-W363 HydrophobicContact CB-CZ2 4.4Å; D335-W363 PolarHBondContact OD1-NE1 3.49Å; V338-W363 HydrophobicContact CB-CH2 4.08Å; V338-W363 HydrophobicContact CB-CZ2 4.46Å; V338-W363 HydrophobicContact CG1-CH2 3.75Å; V338-W363 HydrophobicContact CG1-CZ2 4.45Å; V338-W363 HydrophobicContact CG1-CZ3 4.38Å; F339-W363 HydrophobicContact CB-CH2 3.92Å; F339-W363 HydrophobicContact CB-CZ2 4.39Å; L342-W363 HydrophobicContact CD1-CZ3 4.18Å; V360-W363 HydrophobicContact CG2-CE3 3.54Å; V360-W363 HydrophobicContact CG2-CZ3 3.9Å; V360-W363 PolarHBondContact O-N 3.46Å; K361-W363 PolarHBondContact O-N 3.47Å; W363-M365 PolarHBondContact O-N 3.2Å; W363-R366 WeakPolarHBondContact O-CB 3.35Å; W363-R366 PolarHBondContact O-N 2.77Å; W363-M367 HydrophobicContact CD2-CG 4.06Å; W363-M367 HydrophobicContact CH2-CG 4.17Å; W363-M367 HydrophobicContact CZ2-CG 3.65Å; W363-M367 HydrophobicContact CZ2-SD 4.35Å; W363-M367 PolarHBondContact O-N 2.87Å
364	Y	98.6	Very high	97.6	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-47.2	179.9	-166.8	-84.4	0	0	0	112.1	F339 L342 R343 E346 F351 M355 V360 K361 R366 M367 E368	F339-Y364 AromaticContact CD2-CD2 3.99Å; F339-Y364 HydrophobicContact CD2-CD2 3.99Å; F339-Y364 HydrophobicContact CD2-CE1 4.48Å; F339-Y364 AromaticContact CD2-CE2 3.64Å; F339-Y364 HydrophobicContact CD2-CE2 3.64Å; F339-Y364 AromaticContact CD2-CZ 3.91Å; F339-Y364 HydrophobicContact CE2-CD1 4.29Å; F339-Y364 HydrophobicContact CE2-CD2 4.25Å; F339-Y364 AromaticContact CE2-CE1 3.8Å; F339-Y364 HydrophobicContact CE2-CE1 3.8Å; F339-Y364 AromaticContact CE2-CE2 3.75Å; F339-Y364 HydrophobicContact CE2-CE2 3.75Å; F339-Y364 HydrophobicContact CE2-CG 4.49Å; F339-Y364 AromaticContact CE2-CZ 3.5Å; L342-Y364 HydrophobicContact CB-CE2 4.01Å; R343-Y364 WeakPolarHBondContact CA-OH 3.33Å; R343-Y364 WeakPolarHBondContact CB-OH 3.35Å; E346-Y364 WeakPolarHBondContact OE1-CE1 3.42Å; E346-Y364 PolarHBondContact OE1-OH 3.18Å; F351-Y364 HydrophobicContact CE2-CD2 4.44Å; F351-Y364 AromaticContact CE2-CE1 3.9Å; F351-Y364 HydrophobicContact CE2-CE1 3.9Å; F351-Y364 AromaticContact CE2-CE2 3.82Å; F351-Y364 HydrophobicContact CE2-CE2 3.82Å; F351-Y364 AromaticContact CE2-CZ 3.52Å; F351-Y364 HydrophobicContact CZ-CD1 4.07Å; F351-Y364 AromaticContact CZ-CE1 3.58Å; F351-Y364 HydrophobicContact CZ-CE1 3.58Å; F351-Y364 HydrophobicContact CZ-CE2 4.31Å; F351-Y364 AromaticContact CZ-CZ 3.72Å; M355-Y364 HydrophobicContact CE-CD1 4.07Å; M355-Y364 HydrophobicContact CE-CG 4.24Å; M355-Y364 HydrophobicContact SD-CG 4.33Å; V360-Y364 PolarHBondContact O-N 2.99Å; K361-Y364 PolarHBondContact O-N 2.7Å; Y364-R366 VanDerWaalsContact C-N 3.28Å; Y364-R366 PolarHBondContact O-N 2.83Å; Y364-M367 WeakPolarHBondContact O-CB 3.33Å; Y364-M367 PolarHBondContact O-N 2.81Å; Y364-M367 VanDerWaalsContact O-N 3.14Å; Y364-E368 PolarHBondContact O-N 3.18Å
365	M	98.2	Very high	97.5	Very high	76 Å²	76	63 Å²	63	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-31.7	178.9	-65.5	-74	149.2	0	0	112.3	M355 K361 W363 R369	M355-M365 HydrophobicContact CE-CE 3.46Å; M355-M365 VanDerWaalsContact CE-CE 3.46Å; K361-M365 HydrophobicContact CG-CG 4.36Å; K361-M365 WeakPolarHBondContact O-CG 3.32Å; K361-M365 PolarHBondContact O-N 2.75Å; W363-M365 PolarHBondContact O-N 3.2Å; M365-R369 WeakPolarHBondContact O-CB 3.45Å; M365-R369 PolarHBondContact O-N 2.85Å; M365-R369 VanDerWaalsContact O-N 3.11Å
366	R	98.1	Very high	97.2	Very high	76 Å²	76	62.4 Å²	62.4	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-68.7	-42.3	171.7	-74.7	-169.7	-57.9	-90	7.9	111.6	K324 F325 P362 W363 Y364 R369 A370	K324-R366 PolarHBondContact O-NE 3.35Å; K324-R366 PolarHBondContact O-NH2 2.8Å; F325-R366 HydrophobicContact CE1-CB 3.7Å; F325-R366 HydrophobicContact CZ-CB 3.69Å; P362-R366 WeakPolarHBondContact O-CG 3.42Å; P362-R366 PolarHBondContact O-N 3.13Å; P362-R366 PolarHBondContact O-NH1 2.86Å; P362-R366 VanDerWaalsContact O-NH1 3.16Å; W363-R366 WeakPolarHBondContact O-CB 3.35Å; W363-R366 PolarHBondContact O-N 2.77Å; Y364-R366 VanDerWaalsContact C-N 3.28Å; Y364-R366 PolarHBondContact O-N 2.83Å; R366-R369 PolarHBondContact O-N 3.39Å; R366-A370 VanDerWaalsContact O-CB 3.3Å; R366-A370 WeakPolarHBondContact O-CB 3.43Å; R366-A370 PolarHBondContact O-N 3.04Å
367	M	98.4	Very high	96.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-47.2	175.6	-75.7	-58.2	-59.5	0	0	111.7	F325 P331 D335 L336 F339 W363 Y364 R369 A370 T371	F325-M367 HydrophobicContact CD1-CG 4.18Å; F325-M367 HydrophobicContact CD1-SD 3.46Å; F325-M367 WeakPolarHBondContact CD1-SD 3.44Å; F325-M367 HydrophobicContact CE1-CG 3.95Å; F325-M367 HydrophobicContact CE1-SD 3.45Å; F325-M367 WeakPolarHBondContact CE1-SD 3.45Å; P331-M367 HydrophobicContact CB-CE 3.87Å; P331-M367 HydrophobicContact CB-SD 3.7Å; P331-M367 HydrophobicContact CG-CE 4.13Å; P331-M367 HydrophobicContact CG-SD 3.58Å; P331-M367 VanDerWaalsContact CG-SD 3.58Å; D335-M367 HydrophobicContact CB-CE 3.89Å; D335-M367 HydrophobicContact CB-SD 3.74Å; L336-M367 HydrophobicContact CD2-CE 3.73Å; L336-M367 HydrophobicContact CG-CE 4.31Å; F339-M367 HydrophobicContact CB-CB 4.18Å; F339-M367 HydrophobicContact CB-CE 3.77Å; F339-M367 HydrophobicContact CB-CG 4.21Å; F339-M367 HydrophobicContact CD1-CB 4.32Å; F339-M367 HydrophobicContact CD1-CE 4.19Å; F339-M367 HydrophobicContact CD2-CB 3.45Å; F339-M367 VanDerWaalsContact CD2-CB 3.45Å; F339-M367 HydrophobicContact CD2-CG 4.26Å; F339-M367 HydrophobicContact CE2-CB 3.84Å; F339-M367 HydrophobicContact CG-CB 3.73Å; F339-M367 HydrophobicContact CG-CE 4.05Å; F339-M367 HydrophobicContact CG-CG 4.3Å; F339-M367 HydrophobicContact CZ-CB 4.42Å; W363-M367 HydrophobicContact CD2-CG 4.06Å; W363-M367 HydrophobicContact CH2-CG 4.17Å; W363-M367 HydrophobicContact CZ2-CG 3.65Å; W363-M367 HydrophobicContact CZ2-SD 4.35Å; W363-M367 PolarHBondContact O-N 2.87Å; Y364-M367 WeakPolarHBondContact O-CB 3.33Å; Y364-M367 PolarHBondContact O-N 2.81Å; Y364-M367 VanDerWaalsContact O-N 3.14Å; M367-R369 PolarHBondContact O-N 2.95Å; M367-A370 PolarHBondContact O-N 2.82Å; M367-T371 VanDerWaalsContact O-CG2 3.27Å; M367-T371 WeakPolarHBondContact O-CG2 3.34Å; M367-T371 PolarHBondContact O-N 3.43Å; M367-T371 PolarHBondContact O-OG1 3.38Å
368	E	98.1	Very high	95	Very high	65 Å²	65	71.1 Å²	71.1	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-56.3	-52.1	177.2	-177.5	179.1	-131.6	0	0	110.9	F339 Y364 A370 T371 L372	F339-E368 HydrophobicContact CE2-CB 4.2Å; F339-E368 HydrophobicContact CZ-CB 4.15Å; Y364-E368 PolarHBondContact O-N 3.18Å; E368-A370 PolarHBondContact O-N 3.47Å; E368-T371 PolarHBondContact O-N 3.04Å; E368-T371 PolarHBondContact O-OG1 3.24Å; E368-L372 HydrophobicContact CG-CD1 3.9Å; E368-L372 HydrophobicContact CG-CG 4.48Å; E368-L372 WeakPolarHBondContact O-CB 3.41Å; E368-L372 WeakPolarHBondContact O-CG 3.41Å; E368-L372 PolarHBondContact O-N 2.73Å
369	R	98.1	Very high	94.9	Very high	150 Å²	150	73.8 Å²	73.8	57%	0.566	36%	0.359	S	S	*	.	H	α-helix	trans	-56	-49.1	175.5	-177.7	-175.2	-58.9	157	1.9	112.3	M365 R366 M367 T371 L372 N373	M365-R369 WeakPolarHBondContact O-CB 3.45Å; M365-R369 PolarHBondContact O-N 2.85Å; M365-R369 VanDerWaalsContact O-N 3.11Å; R366-R369 PolarHBondContact O-N 3.39Å; M367-R369 PolarHBondContact O-N 2.95Å; R369-T371 VanDerWaalsContact C-N 3.27Å; R369-T371 PolarHBondContact O-N 3.4Å; R369-L372 PolarHBondContact O-N 3.45Å; R369-N373 WeakPolarHBondContact CG-ND2 3.38Å; R369-N373 VanDerWaalsContact O-CB 3.31Å; R369-N373 WeakPolarHBondContact O-CB 3.18Å; R369-N373 PolarHBondContact O-N 3.46Å; R369-N373 PolarHBondContact O-ND2 2.81Å
370	A	97.8	Very high	94.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-37.9	-178.3	0	0	0	0	0	112.1	Y125 P331 R366 M367 E368 H374 E375	Y125-A370 HydrophobicContact CD2-CB 4.21Å; Y125-A370 HydrophobicContact CE2-CB 4.07Å; P331-A370 HydrophobicContact CG-CB 4.13Å; R366-A370 VanDerWaalsContact O-CB 3.3Å; R366-A370 WeakPolarHBondContact O-CB 3.43Å; R366-A370 PolarHBondContact O-N 3.04Å; M367-A370 PolarHBondContact O-N 2.82Å; E368-A370 PolarHBondContact O-N 3.47Å; A370-H374 PolarHBondContact O-N 3.24Å; A370-E375 HydrophobicContact CB-CB 4.27Å; A370-E375 HydrophobicContact CB-CG 4.39Å; A370-E375 PolarHBondContact O-N 3Å
371	T	96.8	Very high	94.7	Very high	5 Å²	5	72.7 Å²	72.7	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-71.9	-40.4	176.4	61.3	0	0	0	0	113.3	L336 F339 M367 E368 R369 H374	L336-T371 HydrophobicContact CD2-CG2 4.18Å; F339-T371 HydrophobicContact CD1-CG2 4.03Å; F339-T371 HydrophobicContact CE1-CG2 3.66Å; M367-T371 VanDerWaalsContact O-CG2 3.27Å; M367-T371 WeakPolarHBondContact O-CG2 3.34Å; M367-T371 PolarHBondContact O-N 3.43Å; M367-T371 PolarHBondContact O-OG1 3.38Å; E368-T371 PolarHBondContact O-N 3.04Å; E368-T371 PolarHBondContact O-OG1 3.24Å; R369-T371 VanDerWaalsContact C-N 3.27Å; R369-T371 PolarHBondContact O-N 3.4Å; T371-H374 PolarHBondContact O-N 2.99Å
372	L	95.6	Very high	94.5	Very high	120 Å²	120	70.1 Å²	70.1	63%	0.628	35%	0.349	S	S	*	.	H	α-helix	trans	-67.1	-36.7	177.7	-73.5	171.6	0	0	0	112.4	E368 R369 H374	E368-L372 HydrophobicContact CG-CD1 3.9Å; E368-L372 HydrophobicContact CG-CG 4.48Å; E368-L372 WeakPolarHBondContact O-CB 3.41Å; E368-L372 WeakPolarHBondContact O-CG 3.41Å; E368-L372 PolarHBondContact O-N 2.73Å; R369-L372 PolarHBondContact O-N 3.45Å; L372-H374 VanDerWaalsContact C-N 3.28Å
373	N	96.7	Very high	94.4	Very high	101 Å²	101	69.7 Å²	69.7	54%	0.54	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.1	-179.9	-70	-17.6	0	0	0	113.3	R369 E375	R369-N373 WeakPolarHBondContact CG-ND2 3.38Å; R369-N373 VanDerWaalsContact O-CB 3.31Å; R369-N373 WeakPolarHBondContact O-CB 3.18Å; R369-N373 PolarHBondContact O-N 3.46Å; R369-N373 PolarHBondContact O-ND2 2.81Å; N373-E375 VanDerWaalsContact C-N 3.26Å; N373-E375 HydrophobicContact CB-CG 3.85Å; N373-E375 PolarHBondContact ND2-OE1 3.49Å; N373-E375 PolarHBondContact O-N 3.26Å
374	H	96.9	Very high	94.1	Very high	77 Å²	77	74.3 Å²	74.3	36%	0.356	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	42.4	-175.8	-48.7	-55.1	0	0	0	112.5	D124 Y125 A370 T371 L372 G376 R377	D124-H374 PolarHBondContact O-ND1 3.17Å; Y125-H374 CarbonylContact O-C 3.52Å; Y125-H374 WeakPolarHBondContact O-CA 3.22Å; A370-H374 PolarHBondContact O-N 3.24Å; T371-H374 PolarHBondContact O-N 2.99Å; L372-H374 VanDerWaalsContact C-N 3.28Å; H374-G376 PolarHBondContact O-N 3.21Å; H374-R377 HydrophobicContact CB-CB 4.3Å; H374-R377 WeakPolarHBondContact O-CB 3.47Å; H374-R377 PolarHBondContact O-N 3.43Å
375	E	95.9	Very high	93.8	Very high	78 Å²	78	79.6 Å²	79.6	36%	0.364	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16	-172.2	-72.1	178.9	-163.1	0	0	113.6	Y125 A370 N373 R377	Y125-E375 HydrophobicContact CE2-CB 4.06Å; A370-E375 HydrophobicContact CB-CB 4.27Å; A370-E375 HydrophobicContact CB-CG 4.39Å; A370-E375 PolarHBondContact O-N 3Å; N373-E375 VanDerWaalsContact C-N 3.26Å; N373-E375 HydrophobicContact CB-CG 3.85Å; N373-E375 PolarHBondContact ND2-OE1 3.49Å; N373-E375 PolarHBondContact O-N 3.26Å; E375-R377 VanDerWaalsContact C-N 3.34Å
376	G	91.4	Very high	93.4	Very high	9 Å²	9	79.8 Å²	79.8	9%	0.093	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.3	172.6	0	0	0	0	0	114.6	Y125 Y126 H374 S378	Y125-G376 VanDerWaalsContact CE1-CA 3.48Å; Y125-G376 VanDerWaalsContact CZ-CA 3.49Å; Y125-G376 VanDerWaalsContact O-CA 3.3Å; Y125-G376 WeakPolarHBondContact O-CA 3.47Å; Y125-G376 PolarHBondContact O-N 3.11Å; Y126-G376 WeakPolarHBondContact CD1-O 3.44Å; H374-G376 PolarHBondContact O-N 3.21Å; G376-S378 PolarHBondContact O-N 2.75Å
377	R	88.1	Confident	93.1	Very high	186 Å²	186	80.2 Å²	80.2	70%	0.702	40%	0.398	S	S	*	.			trans	-69.3	108.7	178.6	-171.4	178.7	-177.9	176.9	2.1	110	H374 E375	H374-R377 HydrophobicContact CB-CB 4.3Å; H374-R377 WeakPolarHBondContact O-CB 3.47Å; H374-R377 PolarHBondContact O-N 3.43Å; E375-R377 VanDerWaalsContact C-N 3.34Å
378	S	63	Low	92.6	Very high	171 Å²	171	87.5 Å²	87.5	100%	1.196	44%	0.435	S	S	*	.			trans	-123.4	0	178.5	64	0	0	0	0	112.3	G376	G376-S378 PolarHBondContact O-N 2.75Å

Retrieved 378 of 378 residues in 149.2 ms (Link to these results)

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