A0A060X1D3_ONCMY Loading...

Thymidine kinase 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A060X1D3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 280 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	35.2	Very low	248 Å²	248	132.4 Å²	132.4	100%	1.222	72%	0.715	S	S	*	*				0	143.7	0	-80.2	173.8	176.2	0	0	108.9
2	S	29.8	Very low	35.5	Very low	119 Å²	119	136 Å²	136	83%	0.832	71%	0.711	S	S	*	*			trans	-55.2	137.3	-157.2	-174.8	0	0	0	0	116.8
3	F	28.8	Very low	35.6	Very low	192 Å²	192	138.3 Å²	138.3	84%	0.842	71%	0.705	S	S	*	*			trans	-57.3	137.3	164.1	-97.7	-113.5	0	0	0	111.7
4	N	33.5	Very low	35.9	Very low	155 Å²	155	133.5 Å²	133.5	83%	0.829	69%	0.69	S	S	*	*			trans	-100.7	85.7	164	-108.1	-16.7	0	0	0	109.2	L6	N4-L6 VanDerWaalsContact C-N 3.3Å
5	S	35.1	Very low	36	Very low	65 Å²	65	128.9 Å²	128.9	46%	0.455	68%	0.679	S	S	.	*			trans	-87.3	13.4	178.3	81	0	0	0	0	113.9	N9	S5-N9 WeakPolarHBondContact O-CB 3.29Å; S5-N9 PolarHBondContact O-ND2 3.27Å; S5-N9 PolarHBondContact OG-ND2 3.23Å
6	L	34.2	Very low	36.2	Very low	123 Å²	123	126.4 Å²	126.4	64%	0.644	67%	0.666	S	S	*	*	H	α-helix	trans	-75.5	-28.3	-169.7	-110.9	85.4	0	0	0	114.9	N4	N4-L6 VanDerWaalsContact C-N 3.3Å
7	C	36.1	Very low	36	Very low	113 Å²	113	131 Å²	131	76%	0.764	67%	0.672	S	S	*	*	H	α-helix	trans	-85	-36.6	-170.8	-144.7	0	0	0	0	113.5	N9	C7-N9 VanDerWaalsContact C-N 3.34Å
8	M	33.6	Very low	36.3	Very low	148 Å²	148	132.1 Å²	132.1	73%	0.729	68%	0.678	S	S	*	*	H	α-helix	trans	-74	-25.3	174.3	-77.2	177.5	70	0	0	112.9	N10	M8-N10 PolarHBondContact O-N 3.47Å
9	N	38.3	Very low	36.2	Very low	68 Å²	68	129.4 Å²	129.4	36%	0.364	67%	0.672	S	S	.	*	H	α-helix	trans	-71.5	-26.6	-179.8	-90.8	-37.8	0	0	0	113.6	S5 C7 R13	S5-N9 WeakPolarHBondContact O-CB 3.29Å; S5-N9 PolarHBondContact O-ND2 3.27Å; S5-N9 PolarHBondContact OG-ND2 3.23Å; C7-N9 VanDerWaalsContact C-N 3.34Å; N9-R13 VanDerWaalsContact O-CB 3.24Å; N9-R13 WeakPolarHBondContact O-CB 3.36Å; N9-R13 WeakPolarHBondContact O-CD 3.49Å; N9-R13 WeakPolarHBondContact O-CG 3.14Å; N9-R13 PolarHBondContact O-N 3.26Å
10	N	38.3	Very low	36	Very low	99 Å²	99	126.8 Å²	126.8	53%	0.529	67%	0.665	S	S	.	*	H	α-helix	trans	-78	-30.1	-176.7	-74.8	-20.1	0	0	0	113.5	M8 S14	M8-N10 PolarHBondContact O-N 3.47Å; N10-S14 WeakPolarHBondContact O-CB 3.28Å; N10-S14 PolarHBondContact O-N 3.09Å; N10-S14 PolarHBondContact O-OG 2.88Å
11	L	45.3	Very low	35.9	Very low	126 Å²	126	128.3 Å²	128.3	66%	0.66	67%	0.674	S	S	*	*	H	α-helix	trans	-76.4	-42.5	175.3	-82.1	155.6	0	0	0	111.6	S14 A15	L11-S14 PolarHBondContact O-N 3.31Å; L11-A15 PolarHBondContact O-N 3.2Å
12	W	38.9	Very low	36	Very low	176 Å²	176	120.8 Å²	120.8	67%	0.667	65%	0.651	S	S	*	*	H	α-helix	trans	-64.2	-39.9	173.7	-87.1	84.6	0	0	0	112.6	S14 A15 I16	W12-S14 VanDerWaalsContact C-N 3.3Å; W12-S14 PolarHBondContact O-N 3.06Å; W12-A15 PolarHBondContact O-N 3.24Å; W12-I16 HydrophobicContact CE3-CD1 4.34Å; W12-I16 WeakPolarHBondContact O-CB 3.18Å; W12-I16 VanDerWaalsContact O-CG1 3.26Å; W12-I16 WeakPolarHBondContact O-CG1 3.3Å; W12-I16 PolarHBondContact O-N 2.86Å
13	R	37.5	Very low	36.1	Very low	166 Å²	166	119 Å²	119	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-29	175.5	-75.3	172.7	-179.3	-117.2	-0.2	113.2	N9 R17	N9-R13 VanDerWaalsContact O-CB 3.24Å; N9-R13 WeakPolarHBondContact O-CB 3.36Å; N9-R13 WeakPolarHBondContact O-CD 3.49Å; N9-R13 WeakPolarHBondContact O-CG 3.14Å; N9-R13 PolarHBondContact O-N 3.26Å; R13-R17 VanDerWaalsContact O-CB 3.31Å; R13-R17 WeakPolarHBondContact O-CB 3.24Å; R13-R17 PolarHBondContact O-N 3.07Å
14	S	39.3	Very low	36.3	Very low	71 Å²	71	116 Å²	116	50%	0.497	64%	0.641	S	S	.	*	H	α-helix	trans	-74.6	-39.2	175.3	-60.2	0	0	0	0	111.6	N10 L11 W12 R17 L18	N10-S14 WeakPolarHBondContact O-CB 3.28Å; N10-S14 PolarHBondContact O-N 3.09Å; N10-S14 PolarHBondContact O-OG 2.88Å; L11-S14 PolarHBondContact O-N 3.31Å; W12-S14 VanDerWaalsContact C-N 3.3Å; W12-S14 PolarHBondContact O-N 3.06Å; S14-R17 PolarHBondContact O-N 3.41Å; S14-L18 WeakPolarHBondContact O-CG 3.42Å; S14-L18 PolarHBondContact O-N 3.38Å
15	A	37.6	Very low	36.1	Very low	64 Å²	64	115.5 Å²	115.5	53%	0.529	64%	0.644	S	S	.	*	H	α-helix	trans	-64.8	-39.6	172.1	0	0	0	0	0	112.5	L11 W12	L11-A15 PolarHBondContact O-N 3.2Å; W12-A15 PolarHBondContact O-N 3.24Å
16	I	38.8	Very low	35.9	Very low	90 Å²	90	117.5 Å²	117.5	46%	0.462	66%	0.658	S	S	.	*	H	α-helix	trans	-75	-32.6	177.4	-65.6	166.4	0	0	0	112.1	W12 L18 S19 S20	W12-I16 HydrophobicContact CE3-CD1 4.34Å; W12-I16 WeakPolarHBondContact O-CB 3.18Å; W12-I16 VanDerWaalsContact O-CG1 3.26Å; W12-I16 WeakPolarHBondContact O-CG1 3.3Å; W12-I16 PolarHBondContact O-N 2.86Å; I16-L18 VanDerWaalsContact C-N 3.28Å; I16-L18 PolarHBondContact O-N 3.31Å; I16-S19 PolarHBondContact O-N 3.16Å; I16-S19 PolarHBondContact O-OG 3.49Å; I16-S20 PolarHBondContact O-N 3.01Å; I16-S20 PolarHBondContact O-OG 3.25Å
17	R	33.7	Very low	35.7	Very low	204 Å²	204	117.4 Å²	117.4	77%	0.77	66%	0.663	S	S	*	*	H	α-helix	trans	-66.5	-29.7	173.8	-96	-175.3	177.3	-166.4	-1.3	113	R13 S14 S19 S20	R13-R17 VanDerWaalsContact O-CB 3.31Å; R13-R17 WeakPolarHBondContact O-CB 3.24Å; R13-R17 PolarHBondContact O-N 3.07Å; S14-R17 PolarHBondContact O-N 3.41Å; R17-S19 VanDerWaalsContact C-N 3.32Å; R17-S20 PolarHBondContact O-N 2.98Å
18	L	40.1	Very low	35.4	Very low	150 Å²	150	123.3 Å²	123.3	79%	0.785	67%	0.669	S	S	*	*	H	α-helix	trans	-70.6	-27.4	175	-76.4	161.2	0	0	0	112.6	S14 I16	S14-L18 WeakPolarHBondContact O-CG 3.42Å; S14-L18 PolarHBondContact O-N 3.38Å; I16-L18 VanDerWaalsContact C-N 3.28Å; I16-L18 PolarHBondContact O-N 3.31Å
19	S	34.7	Very low	35.2	Very low	82 Å²	82	124.4 Å²	124.4	57%	0.573	68%	0.677	S	S	*	*	H	α-helix	trans	-85.7	-18.5	174.8	62.7	0	0	0	0	114.2	I16 R17	I16-S19 PolarHBondContact O-N 3.16Å; I16-S19 PolarHBondContact O-OG 3.49Å; R17-S19 VanDerWaalsContact C-N 3.32Å
20	S	32.4	Very low	34.7	Very low	76 Å²	76	127.4 Å²	127.4	53%	0.531	70%	0.697	S	S	.	*	H	α-helix	trans	-86.7	-10.9	-172.5	-53.8	0	0	0	0	115.1	I16 R17	I16-S20 PolarHBondContact O-N 3.01Å; I16-S20 PolarHBondContact O-OG 3.25Å; R17-S20 PolarHBondContact O-N 2.98Å
21	N	34.4	Very low	34.2	Very low	160 Å²	160	126.7 Å²	126.7	86%	0.856	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	4.7	177.3	-90.1	-0.9	0	0	0	114.1
22	A	36.2	Very low	33.4	Very low	89 Å²	89	128.7 Å²	128.7	74%	0.736	72%	0.715	S	S	*	*			trans	-102.9	71.2	170.6	0	0	0	0	0	109.3
23	A	32.2	Very low	32.8	Very low	82 Å²	82	130.3 Å²	130.3	68%	0.678	72%	0.721	S	S	*	*			trans	-92.5	120.3	174.9	0	0	0	0	0	110.5
24	V	32.8	Very low	32.4	Very low	130 Å²	130	128.6 Å²	128.6	79%	0.788	73%	0.733	S	S	*	*			trans	77.6	98.1	150.7	-163.5	0	0	0	0	117.8
25	T	28.8	Very low	31.9	Very low	144 Å²	144	133.8 Å²	133.8	88%	0.883	75%	0.746	S	S	*	*				-150	104.7	129.6	11.5	0	0	0	0	110.3
26	S	30.5	Very low	31.5	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	77%	0.765	S	S	*	*			trans	36.9	98.7	149.5	-151.8	0	0	0	0	120.5
27	T	30.8	Very low	30.9	Very low	122 Å²	122	148.8 Å²	148.8	75%	0.748	79%	0.79	S	S	*	*				36.9	111.6	125.6	-32.2	0	0	0	0	120.2
28	R	29	Very low	30.6	Very low	237 Å²	237	142.8 Å²	142.8	89%	0.894	79%	0.791	S	S	*	*				-162.3	107.3	119.9	-107.4	176.1	-174.7	-169	1.9	110.4	V30	R28-V30 PolarHBondContact O-N 2.99Å
29	L	29.4	Very low	30.1	Very low	171 Å²	171	142.6 Å²	142.6	90%	0.895	79%	0.791	S	S	*	*			trans	-62.1	121.6	162.7	-96.3	113.4	0	0	0	108.7
30	V	28.9	Very low	29.9	Very low	131 Å²	131	147.1 Å²	147.1	79%	0.794	80%	0.8	S	S	*	*			trans	-100	105	160.5	179.5	0	0	0	0	107	R28 I32	R28-V30 PolarHBondContact O-N 2.99Å; V30-I32 PolarHBondContact O-N 2.86Å
31	A	27.8	Very low	29.7	Very low	84 Å²	84	154.7 Å²	154.7	69%	0.694	82%	0.817	S	S	*	*			trans	-67.2	121	168.4	0	0	0	0	0	109	R33	A31-R33 PolarHBondContact O-N 3.27Å; A31-R33 VanDerWaalsContact O-N 3.07Å
32	I	27.6	Very low	29.2	Very low	168 Å²	168	150.5 Å²	150.5	86%	0.862	81%	0.812	S	S	*	*			trans	-73.8	99.7	171.9	-62.7	173	0	0	0	107.4	V30	V30-I32 PolarHBondContact O-N 2.86Å
33	R	26.9	Very low	28.8	Very low	209 Å²	209	155.9 Å²	155.9	79%	0.789	82%	0.822	S	S	*	*			trans	-90.3	108.5	170.9	-165.9	172.1	179.9	171.4	0.7	108.2	A31 K35	A31-R33 PolarHBondContact O-N 3.27Å; A31-R33 VanDerWaalsContact O-N 3.07Å; R33-K35 PolarHBondContact O-N 3.18Å
34	C	27.7	Very low	28.5	Very low	131 Å²	131	159.8 Å²	159.8	89%	0.885	83%	0.831	S	S	*	*			trans	-61.5	120.5	171.4	-153.3	0	0	0	0	109.2
35	K	29.7	Very low	28.2	Very low	179 Å²	179	159 Å²	159	78%	0.778	83%	0.83	S	S	*	*			trans	-130.1	128.2	171.7	-109.1	-174.3	178.7	-175.6	0	110.6	R33	R33-K35 PolarHBondContact O-N 3.18Å
36	R	28.2	Very low	28.1	Very low	247 Å²	247	160.8 Å²	160.8	93%	0.932	83%	0.828	S	S	*	*			trans	-55.8	151.3	179.5	-73.6	173.4	174.4	173.9	-3.4	113.1
37	F	27.8	Very low	27.9	Very low	223 Å²	223	161.5 Å²	161.5	98%	0.978	83%	0.828	S	S	*	*			trans	-45.5	136.2	166.6	-93.8	-103.3	0	0	0	113.5
38	G	27.6	Very low	27.8	Very low	77 Å²	77	167.8 Å²	167.8	79%	0.794	84%	0.838	S	S	*	*			trans	-165.2	113.7	169.4	0	0	0	0	0	110.1
39	D	29	Very low	27.8	Very low	147 Å²	147	161 Å²	161	79%	0.786	83%	0.832	S	S	*	*			trans	-64.5	139.8	-179.9	178.4	27.9	0	0	0	113.8
40	K	29.8	Very low	27.7	Very low	176 Å²	176	161.5 Å²	161.5	77%	0.765	83%	0.83	S	S	*	*			trans	166.1	127.4	131.5	-89.8	174.3	-173.3	-176	0	114.2
41	R	27.8	Very low	27.7	Very low	235 Å²	235	160.4 Å²	160.4	89%	0.887	83%	0.828	S	S	*	*			trans	9.1	136.3	149.4	-67	178.6	-121.3	-160	-2.7	120.3
42	G	25.2	Very low	27.7	Very low	72 Å²	72	163.3 Å²	163.3	74%	0.742	83%	0.832	S	S	*	*				123.5	128.4	128.4	0	0	0	0	0	117.1
43	E	26.8	Very low	27.8	Very low	203 Å²	203	161.5 Å²	161.5	95%	0.949	82%	0.824	S	S	*	*			trans	96.3	125.4	151.6	-66.9	-176.7	164.2	0	0	121.6
44	L	26.3	Very low	27.9	Very low	164 Å²	164	157 Å²	157	86%	0.859	82%	0.82	S	S	*	*			trans	-77.1	124.9	176.9	-154.7	88.6	0	0	0	108.2
45	C	26	Very low	28.2	Very low	113 Å²	113	157.9 Å²	157.9	76%	0.764	81%	0.811	S	S	*	*			trans	-144	108.7	159.7	-162	0	0	0	0	109.6	T47	C45-T47 PolarHBondContact O-N 2.73Å
46	Q	27.3	Very low	28.3	Very low	181 Å²	181	158 Å²	158	85%	0.846	81%	0.814	S	S	*	*			trans	-73.5	116.9	169.8	-71.5	178.9	-12.3	0	0	108.6
47	T	26.5	Very low	28.7	Very low	122 Å²	122	151.2 Å²	151.2	75%	0.748	80%	0.799	S	S	*	*			trans	-130.7	113.2	160.8	43.3	0	0	0	0	109.6	C45 A49	C45-T47 PolarHBondContact O-N 2.73Å; T47-A49 PolarHBondContact O-N 3.19Å
48	R	28.6	Very low	29	Very low	254 Å²	254	146.1 Å²	146.1	96%	0.958	79%	0.791	S	S	*	*			trans	-51.5	118	168.3	-81.2	172.8	166.8	169.5	-4.7	109.8
49	A	28.8	Very low	29.4	Very low	93 Å²	93	153.2 Å²	153.2	77%	0.769	79%	0.794	S	S	*	*			trans	-115.8	124.4	163	0	0	0	0	0	108.4	T47 S51	T47-A49 PolarHBondContact O-N 3.19Å; A49-S51 PolarHBondContact O-N 3.48Å
50	H	27.6	Very low	29.7	Very low	183 Å²	183	154.6 Å²	154.6	85%	0.847	79%	0.793	S	S	*	*			trans	-59.7	116.2	173.9	-82.4	49.6	0	0	0	109.6	N52	H50-N52 PolarHBondContact O-N 2.9Å
51	S	28	Very low	30.1	Very low	108 Å²	108	154.5 Å²	154.5	76%	0.755	80%	0.8	S	S	*	*			trans	-79.4	96.8	171.8	171.7	0	0	0	0	108.8	A49 N53	A49-S51 PolarHBondContact O-N 3.48Å; S51-N53 PolarHBondContact O-N 3.41Å
52	N	27.8	Very low	30.7	Very low	144 Å²	144	149.3 Å²	149.3	77%	0.77	80%	0.795	S	S	*	*			trans	-73.9	105.4	161.8	-83.1	-14.5	0	0	0	107.8	H50 T54	H50-N52 PolarHBondContact O-N 2.9Å; N52-T54 PolarHBondContact O-N 3.24Å; N52-T54 VanDerWaalsContact O-N 3.09Å
53	N	30.6	Very low	31.5	Very low	131 Å²	131	155.9 Å²	155.9	70%	0.701	80%	0.797	S	S	*	*			trans	-74.4	88.3	177.9	-168.2	17.2	0	0	0	109.8	S51 Q55	S51-N53 PolarHBondContact O-N 3.41Å; N53-Q55 PolarHBondContact O-N 3.25Å
54	T	29.7	Very low	31.9	Very low	115 Å²	115	154 Å²	154	71%	0.706	79%	0.793	S	S	*	*			trans	-89.8	85.7	171.7	-26.4	0	0	0	0	108.8	N52 H56	N52-T54 PolarHBondContact O-N 3.24Å; N52-T54 VanDerWaalsContact O-N 3.09Å; T54-H56 PolarHBondContact O-N 3.49Å
55	Q	33	Very low	32.8	Very low	149 Å²	149	150.1 Å²	150.1	70%	0.696	79%	0.793	S	S	*	*			trans	-61.4	107.6	164.7	-80.7	178.7	-17.6	0	0	108.6	N53 V57	N53-Q55 PolarHBondContact O-N 3.25Å; Q55-V57 HydrophobicContact CB-CG2 4.39Å; Q55-V57 PolarHBondContact O-N 2.79Å
56	H	31.2	Very low	34.3	Very low	181 Å²	181	151.7 Å²	151.7	84%	0.838	79%	0.787	S	S	*	*			trans	-67.6	86.3	164.9	-96.4	-78.2	0	0	0	108.8	T54 S58	T54-H56 PolarHBondContact O-N 3.49Å; H56-S58 PolarHBondContact O-N 3.01Å
57	V	36.3	Very low	35.9	Very low	104 Å²	104	150.7 Å²	150.7	63%	0.63	78%	0.782	S	S	*	*			trans	-74.8	102.5	166.5	-179	0	0	0	0	107	Q55 R59	Q55-V57 HydrophobicContact CB-CG2 4.39Å; Q55-V57 PolarHBondContact O-N 2.79Å; V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 3.37Å
58	S	35.3	Very low	38.4	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	78%	0.778	S	S	*	*			trans	-60.4	94.1	167.1	-81.4	0	0	0	0	109.1	H56 K60	H56-S58 PolarHBondContact O-N 3.01Å; S58-K60 PolarHBondContact O-N 2.94Å
59	R	36.7	Very low	41.3	Very low	226 Å²	226	144 Å²	144	85%	0.853	75%	0.75	S	S	*	*			trans	-67.6	99.1	173.5	-72.6	-179.9	-174.5	159.5	1.8	108.5	V57 L61	V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 3.37Å; R59-L61 PolarHBondContact O-N 3.32Å; R59-L61 VanDerWaalsContact O-N 3.16Å
60	K	34.2	Very low	44.4	Very low	177 Å²	177	140.2 Å²	140.2	77%	0.77	72%	0.716	S	S	*	*			trans	-56.4	118	159.7	-79.2	-178.4	177.7	177.5	0	107	S58 V62	S58-K60 PolarHBondContact O-N 2.94Å; K60-V62 PolarHBondContact O-N 3.37Å
61	L	38.9	Very low	47.7	Very low	174 Å²	174	131.7 Å²	131.7	91%	0.911	68%	0.677	S	S	*	*			trans	-64.7	101.1	178.9	-75.5	161.7	0	0	0	109.2	R59	R59-L61 PolarHBondContact O-N 3.32Å; R59-L61 VanDerWaalsContact O-N 3.16Å
62	V	40.8	Very low	51	Low	126 Å²	126	126.5 Å²	126.5	76%	0.764	64%	0.641	S	S	*	*			trans	-79.1	118.3	171.7	179.3	0	0	0	0	108.2	K60 N64	K60-V62 PolarHBondContact O-N 3.37Å; V62-N64 PolarHBondContact O-N 2.93Å
63	R	40.2	Very low	54.4	Low	209 Å²	209	119.7 Å²	119.7	79%	0.789	61%	0.605	S	S	*	*			trans	-79.4	112.7	168.1	-86.3	179.2	155.1	175.7	-6.9	108.8
64	N	36.5	Very low	57.6	Low	163 Å²	163	113.5 Å²	113.5	87%	0.872	57%	0.571	S	S	*	*			trans	-71.7	137.9	171.3	-110.3	4.7	0	0	0	111.2	V62	V62-N64 PolarHBondContact O-N 2.93Å
65	G	44.9	Very low	60.9	Low	83 Å²	83	108 Å²	108	86%	0.856	54%	0.538	S	S	*	.	S	Bend	trans	100.3	15.5	161.8	0	0	0	0	0	118.5
66	K	56.7	Low	64	Low	147 Å²	147	100.9 Å²	100.9	64%	0.639	51%	0.505	S	S	*	.	S	Bend	trans	-104.2	138.8	168.1	-72.2	-172	176	-169.6	0	109.6	K68	K66-K68 PolarHBondContact O-N 3.16Å
67	E	62	Low	67.2	Low	159 Å²	159	92.3 Å²	92.3	74%	0.743	47%	0.465	S	S	*	.			trans	-41.8	129	165.5	-74.7	178.8	161.1	0	0	109.1	K69	E67-K69 PolarHBondContact O-N 3.39Å
68	K	77.9	Confident	70	Confident	153 Å²	153	87.8 Å²	87.8	67%	0.665	44%	0.437	S	S	*	.			trans	-59.8	114.3	-177.2	-173.4	-171.6	175.1	-158.8	0	107.4	K66 D196	K66-K68 PolarHBondContact O-N 3.16Å; K68-D196 VanDerWaalsContact CE-OD1 3.29Å; K68-D196 WeakPolarHBondContact CE-OD1 3.43Å; K68-D196 IonicContact NZ-OD1 3.29Å; K68-D196 PolarHBondContact NZ-OD1 2.67Å
69	K	90.2	Very high	72.9	Confident	83 Å²	83	83 Å²	83	36%	0.361	40%	0.404	S	S	.	.			trans	-79	127.4	176	-68.8	-161.9	177.4	-157.5	0	109.4	E67 M144 P147	E67-K69 PolarHBondContact O-N 3.39Å; K69-M144 HydrophobicContact CB-CE 3.58Å; K69-M144 HydrophobicContact CB-SD 3.76Å; K69-M144 HydrophobicContact CD-CB 3.68Å; K69-M144 HydrophobicContact CD-CE 3.88Å; K69-M144 HydrophobicContact CD-CG 4.26Å; K69-M144 HydrophobicContact CD-SD 3.65Å; K69-M144 HydrophobicContact CG-CE 4.2Å; K69-M144 HydrophobicContact CG-SD 4.33Å; K69-M144 PolarHBondContact NZ-O 3.2Å; K69-P147 CarbonylContact C-O 3.52Å; K69-P147 VanDerWaalsContact CA-O 3.27Å; K69-P147 WeakPolarHBondContact CA-O 3.22Å
70	L	94.6	Very high	75.7	Confident	13 Å²	13	72.2 Å²	72.2	7%	0.068	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.2	-179.3	-178.6	73.2	0	0	0	110	V72 P147 V148 R149 D196 L275	L70-V72 HydrophobicContact CD2-CG2 3.92Å; L70-V72 HydrophobicContact CG-CG2 3.98Å; L70-P147 PolarHBondContact N-O 3.26Å; L70-V148 HydrophobicContact CB-CG1 4.47Å; L70-V148 HydrophobicContact CB-CG2 4.22Å; L70-V148 HydrophobicContact CD2-CG1 4.06Å; L70-V148 HydrophobicContact CD2-CG2 4.18Å; L70-V148 CarbonylContact O-C 3.58Å; L70-V148 WeakPolarHBondContact O-CA 3.37Å; L70-R149 PolarHBondContact O-N 2.83Å; L70-D196 WeakPolarHBondContact CA-OD2 3.44Å; L70-D196 HydrophobicContact CD1-CB 3.33Å; L70-D196 HydrophobicContact CG-CB 4.44Å; L70-L275 VanDerWaalsContact CD2-O 3.25Å; L70-L275 WeakPolarHBondContact CD2-O 3.5Å
71	V	96.6	Very high	78.6	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.024	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	172.9	-176.1	0	0	0	0	110.6	F73 M144 R149 M151 P194 D196 L197	V71-F73 HydrophobicContact CG1-CD1 4.15Å; V71-F73 HydrophobicContact CG1-CE1 3.61Å; V71-F73 HydrophobicContact CG1-CZ 4.43Å; V71-M144 HydrophobicContact CG2-CE 4.05Å; V71-M144 HydrophobicContact CG2-SD 3.93Å; V71-R149 WeakPolarHBondContact CA-O 3.45Å; V71-M151 HydrophobicContact CG1-SD 4.24Å; V71-P194 WeakPolarHBondContact CG1-O 3.34Å; V71-P194 HydrophobicContact CG2-CB 4.38Å; V71-P194 HydrophobicContact CG2-CG 4.18Å; V71-D196 PolarHBondContact N-OD2 3.48Å; V71-D196 PolarHBondContact O-N 2.87Å; V71-L197 PolarHBondContact O-N 2.75Å
72	V	97.9	Very high	81.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.4	180	-173.6	0	0	0	0	109.7	L70 I74 R149 M150 M151 L197 V199	L70-V72 HydrophobicContact CD2-CG2 3.92Å; L70-V72 HydrophobicContact CG-CG2 3.98Å; V72-I74 HydrophobicContact CG1-CD1 3.94Å; V72-R149 PolarHBondContact N-O 3.48Å; V72-M150 HydrophobicContact CB-CG 4.26Å; V72-M150 CarbonylContact O-C 3.51Å; V72-M150 VanDerWaalsContact O-CA 3.32Å; V72-M150 WeakPolarHBondContact O-CA 3.49Å; V72-M151 PolarHBondContact O-N 2.92Å; V72-L197 CarbonylContact C-O 3.54Å; V72-L197 VanDerWaalsContact CA-O 3.32Å; V72-L197 WeakPolarHBondContact CA-O 3.5Å; V72-L197 HydrophobicContact CG1-CB 4.26Å; V72-L197 HydrophobicContact CG1-CD2 4.09Å; V72-L197 HydrophobicContact CG1-CG 4.2Å; V72-L197 HydrophobicContact CG2-CB 4.33Å; V72-V199 HydrophobicContact CG1-CG2 3.68Å
73	F	98.3	Very high	84	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.6	171.1	-61.9	-18.6	0	0	0	110.2	V71 E75 H140 M151 S154 Y156 I193 V195 L197 I198 V199	V71-F73 HydrophobicContact CG1-CD1 4.15Å; V71-F73 HydrophobicContact CG1-CE1 3.61Å; V71-F73 HydrophobicContact CG1-CZ 4.43Å; F73-E75 HydrophobicContact CB-CG 4.37Å; F73-H140 AromaticContact CE1-CE1 3.58Å; F73-H140 AromaticContact CZ-CE1 3.4Å; F73-H140 WeakPolarHBondContact CZ-CE1 3.43Å; F73-H140 AromaticContact CZ-ND1 3.97Å; F73-M151 HydrophobicContact CD1-CB 3.93Å; F73-M151 HydrophobicContact CD1-CG 4.27Å; F73-M151 HydrophobicContact CD1-SD 4.3Å; F73-M151 HydrophobicContact CE1-CB 4.33Å; F73-M151 HydrophobicContact CE1-CG 4.29Å; F73-M151 HydrophobicContact CE1-SD 3.73Å; F73-S154 VanDerWaalsContact CE2-CB 3.48Å; F73-Y156 AromaticContact CE2-CD2 3.89Å; F73-Y156 HydrophobicContact CE2-CD2 3.89Å; F73-Y156 AromaticContact CE2-CE2 3.92Å; F73-Y156 HydrophobicContact CE2-CE2 3.92Å; F73-I193 HydrophobicContact CZ-CG2 4.27Å; F73-V195 HydrophobicContact CD1-CG2 4.34Å; F73-V195 HydrophobicContact CD2-CB 4.04Å; F73-V195 HydrophobicContact CD2-CG2 3.52Å; F73-V195 HydrophobicContact CE1-CB 4.35Å; F73-V195 HydrophobicContact CE1-CG2 4.38Å; F73-V195 HydrophobicContact CE2-CB 3.53Å; F73-V195 HydrophobicContact CE2-CG1 4.04Å; F73-V195 HydrophobicContact CE2-CG2 3.58Å; F73-V195 HydrophobicContact CG-CG2 3.92Å; F73-V195 HydrophobicContact CZ-CB 3.7Å; F73-V195 HydrophobicContact CZ-CG2 4.02Å; F73-L197 PolarHBondContact N-O 2.91Å; F73-I198 HydrophobicContact CB-CG1 4.43Å; F73-I198 HydrophobicContact CD2-CG1 4.45Å; F73-I198 CarbonylContact O-C 3.55Å; F73-I198 WeakPolarHBondContact O-CA 3.31Å; F73-V199 PolarHBondContact O-N 2.91Å
74	I	98.5	Very high	86.6	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	105.9	171.9	-47.5	-55	0	0	0	107.3	V72 K82 L86 M151 R153 V199 L201	V72-I74 HydrophobicContact CG1-CD1 3.94Å; I74-K82 HydrophobicContact CG2-CB 4.1Å; I74-K82 HydrophobicContact CG2-CG 4.04Å; I74-K82 WeakPolarHBondContact O-CD 3.35Å; I74-L86 HydrophobicContact CB-CD2 4.49Å; I74-L86 HydrophobicContact CG1-CD2 3.6Å; I74-L86 HydrophobicContact CG1-CG 4.13Å; I74-M151 PolarHBondContact N-O 2.84Å; I74-R153 PolarHBondContact O-N 3.44Å; I74-V199 WeakPolarHBondContact CA-O 3.27Å; I74-V199 HydrophobicContact CD1-CB 3.72Å; I74-V199 HydrophobicContact CD1-CG1 4.34Å; I74-V199 HydrophobicContact CD1-CG2 3.99Å; I74-L201 HydrophobicContact CG2-CD1 3.95Å; I74-L201 HydrophobicContact CG2-CG 4.09Å
75	E	98.7	Very high	89.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	156	-176.8	-70.2	-67.3	174.2	0	0	110.8	F73 R153 S154 S157 I198 V199 Y200 L201 Y235 L239	F73-E75 HydrophobicContact CB-CG 4.37Å; E75-R153 WeakPolarHBondContact OE1-CA 3.37Å; E75-S154 WeakPolarHBondContact OE1-CB 3.4Å; E75-S154 PolarHBondContact OE1-N 2.98Å; E75-S154 VanDerWaalsContact OE1-N 3.14Å; E75-S154 PolarHBondContact OE1-OG 2.72Å; E75-S157 VanDerWaalsContact CD-OG 3.25Å; E75-S157 WeakPolarHBondContact OE1-CB 3.39Å; E75-S157 PolarHBondContact OE1-OG 3.14Å; E75-S157 WeakPolarHBondContact OE2-CB 3.27Å; E75-S157 PolarHBondContact OE2-OG 2.81Å; E75-I198 HydrophobicContact CB-CG2 4.08Å; E75-I198 HydrophobicContact CG-CG2 3.76Å; E75-V199 PolarHBondContact N-O 3.39Å; E75-Y200 HydrophobicContact CB-CD2 4.48Å; E75-L201 PolarHBondContact O-N 2.86Å; E75-Y235 HydrophobicContact CB-CE1 3.9Å; E75-Y235 HydrophobicContact CG-CE1 4.48Å; E75-Y235 PolarHBondContact OE2-OH 3.01Å; E75-L239 HydrophobicContact CB-CD1 4.01Å
76	G	98.3	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.5	161.2	-176.6	0	0	0	0	0	113.6	K82 R153 Y235	G76-K82 PolarHBondContact O-NZ 2.87Å; G76-R153 VanDerWaalsContact O-CZ 3.29Å; G76-R153 PolarHBondContact O-NH1 2.79Å; G76-R153 PolarHBondContact O-NH2 2.85Å; G76-Y235 WeakPolarHBondContact O-CE2 3.38Å; G76-Y235 PolarHBondContact O-OH 3.31Å
77	N	98	Very high	93.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	S	Bend	trans	-61.9	167.5	179.2	-157.5	-10.7	0	0	0	112.3	A79 S80 K82 L228 I231	N77-A79 PolarHBondContact O-N 2.82Å; N77-S80 VanDerWaalsContact O-CB 3.26Å; N77-S80 WeakPolarHBondContact O-CB 3.48Å; N77-S80 PolarHBondContact O-N 3.48Å; N77-S80 PolarHBondContact O-OG 3.41Å; N77-K82 PolarHBondContact O-NZ 3.34Å; N77-L228 PolarHBondContact ND2-O 3.3Å; N77-I231 WeakPolarHBondContact OD1-CG2 3.48Å
78	I	95.6	Very high	95.3	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.046	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	136.7	173.2	-55	176.3	0	0	0	108.6	S80 F162 C208 L212 I223 Y227 L228	I78-S80 PolarHBondContact O-N 2.88Å; I78-F162 HydrophobicContact CD1-CE1 4.44Å; I78-C208 VanDerWaalsContact O-CB 3.31Å; I78-C208 WeakPolarHBondContact O-CB 3.46Å; I78-C208 PolarHBondContact O-SG 3.35Å; I78-L212 HydrophobicContact CB-CD1 4.47Å; I78-L212 HydrophobicContact CG2-CD1 3.41Å; I78-L212 VanDerWaalsContact CG2-CD1 3.41Å; I78-I223 HydrophobicContact CD1-CD1 4.23Å; I78-Y227 HydrophobicContact CD1-CD1 4.49Å; I78-Y227 HydrophobicContact CD1-CE1 3.75Å; I78-L228 HydrophobicContact CB-CD2 3.88Å; I78-L228 HydrophobicContact CD1-CD2 4.27Å; I78-L228 HydrophobicContact CG1-CD2 4.37Å
79	A	94.7	Very high	96.1	Very high	14 Å²	14	19 Å²	19	12%	0.116	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	22.1	-176.3	0	0	0	0	0	115.8	N77 G81 C208 R211 L212	N77-A79 PolarHBondContact O-N 2.82Å; A79-G81 PolarHBondContact O-N 3.49Å; A79-C208 WeakPolarHBondContact CB-O 3.28Å; A79-R211 HydrophobicContact CB-CB 3.98Å; A79-R211 VanDerWaalsContact O-CD 3.28Å; A79-R211 WeakPolarHBondContact O-CD 3.37Å; A79-L212 HydrophobicContact CB-CB 4.11Å; A79-L212 HydrophobicContact CB-CD1 4.16Å
80	S	96.5	Very high	96.2	Very high	1 Å²	1	18 Å²	18	1%	0.007	10%	0.104	C	C	.	.	S	Bend	trans	-75.2	4.3	174.6	72.7	0	0	0	0	115.4	N77 I78 K82	N77-S80 VanDerWaalsContact O-CB 3.26Å; N77-S80 WeakPolarHBondContact O-CB 3.48Å; N77-S80 PolarHBondContact O-N 3.48Å; N77-S80 PolarHBondContact O-OG 3.41Å; I78-S80 PolarHBondContact O-N 2.88Å; S80-K82 PolarHBondContact OG-NZ 2.8Å
81	G	95.2	Very high	96	Very high	18 Å²	18	25.8 Å²	25.8	19%	0.186	14%	0.138	C	C	.	.	S	Bend	trans	88.3	12.8	179.9	0	0	0	0	0	116.4	A79 T83 T84 C85	A79-G81 PolarHBondContact O-N 3.49Å; G81-T83 PolarHBondContact O-N 2.83Å; G81-T84 WeakPolarHBondContact O-CB 3.25Å; G81-T84 PolarHBondContact O-N 3.4Å; G81-T84 VanDerWaalsContact O-N 3.16Å; G81-C85 PolarHBondContact O-N 3.43Å
82	K	97.2	Very high	95.7	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.03	15%	0.147	C	C	.	.	H	α-helix	trans	-55.1	-49.8	179	-63.6	-179.4	-69.4	-65.8	0	113.6	I74 G76 N77 S80 T84 C85 L86 E152 R153 L201	I74-K82 HydrophobicContact CG2-CB 4.1Å; I74-K82 HydrophobicContact CG2-CG 4.04Å; I74-K82 WeakPolarHBondContact O-CD 3.35Å; G76-K82 PolarHBondContact O-NZ 2.87Å; N77-K82 PolarHBondContact O-NZ 3.34Å; S80-K82 PolarHBondContact OG-NZ 2.8Å; K82-T84 VanDerWaalsContact C-N 3.26Å; K82-T84 PolarHBondContact O-N 2.91Å; K82-C85 WeakPolarHBondContact O-CB 3.44Å; K82-C85 PolarHBondContact O-N 3.34Å; K82-L86 WeakPolarHBondContact O-CG 3.22Å; K82-L86 PolarHBondContact O-N 3.07Å; K82-E152 HydrophobicContact CB-CG 3.88Å; K82-E152 HydrophobicContact CD-CG 4.13Å; K82-R153 HydrophobicContact CD-CG 4.19Å; K82-R153 VanDerWaalsContact NZ-NH2 3.16Å; K82-L201 HydrophobicContact CB-CD1 4.47Å; K82-L201 HydrophobicContact CG-CD1 4.18Å
83	T	94.9	Very high	94.8	Very high	46 Å²	46	32.9 Å²	32.9	28%	0.282	19%	0.186	S	C	.	.	H	α-helix	trans	-59.4	-40.9	178.9	-40	0	0	0	0	110.9	G81 L86 E87 T99 E152	G81-T83 PolarHBondContact O-N 2.83Å; T83-L86 WeakPolarHBondContact O-CB 3.43Å; T83-L86 PolarHBondContact O-N 3.27Å; T83-E87 WeakPolarHBondContact O-CB 3.27Å; T83-E87 VanDerWaalsContact O-CG 3.31Å; T83-E87 WeakPolarHBondContact O-CG 3.44Å; T83-E87 PolarHBondContact O-N 2.93Å; T83-T99 HydrophobicContact CG2-CG2 4.39Å; T83-E152 PolarHBondContact N-OE1 2.91Å; T83-E152 PolarHBondContact OG1-OE1 2.79Å
84	T	95	Very high	94.4	Very high	53 Å²	53	37.5 Å²	37.5	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-64	-41.3	176.4	-49.9	0	0	0	0	112.6	G81 K82 L86 E87 Y88 L260	G81-T84 WeakPolarHBondContact O-CB 3.25Å; G81-T84 PolarHBondContact O-N 3.4Å; G81-T84 VanDerWaalsContact O-N 3.16Å; K82-T84 VanDerWaalsContact C-N 3.26Å; K82-T84 PolarHBondContact O-N 2.91Å; T84-L86 VanDerWaalsContact C-N 3.35Å; T84-E87 PolarHBondContact O-N 3.16Å; T84-Y88 PolarHBondContact O-N 3.31Å; T84-L260 HydrophobicContact CG2-CD1 3.56Å
85	C	96.5	Very high	94.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-44.7	173.1	-177.9	0	0	0	0	111.2	G81 K82 Y88 F89 L201 Y267	G81-C85 PolarHBondContact O-N 3.43Å; K82-C85 WeakPolarHBondContact O-CB 3.44Å; K82-C85 PolarHBondContact O-N 3.34Å; C85-Y88 WeakPolarHBondContact O-CB 3.26Å; C85-Y88 PolarHBondContact O-N 2.87Å; C85-F89 VanDerWaalsContact O-CD2 3.28Å; C85-F89 WeakPolarHBondContact O-CD2 3.46Å; C85-F89 PolarHBondContact O-N 2.94Å; C85-L201 HydrophobicContact CB-CD1 3.83Å; C85-Y267 HydrophobicContact CB-CE1 4.08Å; C85-Y267 HydrophobicContact CB-CE2 4.02Å
86	L	96.4	Very high	94.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-41.2	177.6	-72.7	173.2	0	0	0	112.8	I74 K82 T83 T84 Y88 F89 S90 V97 T99 M150 E152	I74-L86 HydrophobicContact CB-CD2 4.49Å; I74-L86 HydrophobicContact CG1-CD2 3.6Å; I74-L86 HydrophobicContact CG1-CG 4.13Å; K82-L86 WeakPolarHBondContact O-CG 3.22Å; K82-L86 PolarHBondContact O-N 3.07Å; T83-L86 WeakPolarHBondContact O-CB 3.43Å; T83-L86 PolarHBondContact O-N 3.27Å; T84-L86 VanDerWaalsContact C-N 3.35Å; L86-Y88 PolarHBondContact O-N 3.29Å; L86-F89 PolarHBondContact O-N 2.95Å; L86-S90 WeakPolarHBondContact O-CB 3.28Å; L86-S90 PolarHBondContact O-N 3.46Å; L86-V97 HydrophobicContact CB-CG1 3.73Å; L86-V97 HydrophobicContact CD1-CG1 4.29Å; L86-V97 HydrophobicContact CD2-CG1 4.09Å; L86-V97 HydrophobicContact CD2-CG2 4.31Å; L86-V97 HydrophobicContact CG-CG1 4.26Å; L86-T99 HydrophobicContact CD1-CG2 4.28Å; L86-M150 HydrophobicContact CD2-CB 3.44Å; L86-M150 VanDerWaalsContact CD2-CB 3.44Å; L86-M150 HydrophobicContact CD2-SD 4.47Å; L86-E152 HydrophobicContact CD1-CB 3.42Å; L86-E152 VanDerWaalsContact CD1-CB 3.42Å; L86-E152 HydrophobicContact CD1-CG 3.84Å
87	E	95	Very high	94	Very high	112 Å²	112	41.5 Å²	41.5	52%	0.523	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-30.6	174.5	-76.2	170.6	-175.9	0	0	112.9	T83 T84 S90	T83-E87 WeakPolarHBondContact O-CB 3.27Å; T83-E87 VanDerWaalsContact O-CG 3.31Å; T83-E87 WeakPolarHBondContact O-CG 3.44Å; T83-E87 PolarHBondContact O-N 2.93Å; T84-E87 PolarHBondContact O-N 3.16Å; E87-S90 PolarHBondContact O-OG 3.48Å
88	Y	94.9	Very high	93.9	Very high	38 Å²	38	42.3 Å²	42.3	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-49	173.4	172.3	-98.5	0	0	0	111.4	T84 C85 L86 L264 Y267 E268	T84-Y88 PolarHBondContact O-N 3.31Å; C85-Y88 WeakPolarHBondContact O-CB 3.26Å; C85-Y88 PolarHBondContact O-N 2.87Å; L86-Y88 PolarHBondContact O-N 3.29Å; Y88-L264 HydrophobicContact CD2-CD2 3.39Å; Y88-L264 HydrophobicContact CE2-CD2 3.93Å; Y88-L264 HydrophobicContact CG-CD2 4.05Å; Y88-Y267 HydrophobicContact CD1-CD2 4.01Å; Y88-Y267 HydrophobicContact CD1-CG 4.29Å; Y88-Y267 HydrophobicContact CG-CD2 4.06Å; Y88-E268 WeakPolarHBondContact OH-CB 3.41Å; Y88-E268 PolarHBondContact OH-OE2 3.4Å
89	F	94.7	Very high	93.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-73.8	-27.5	-179	-75.7	-71.6	0	0	0	113.9	C85 L86 K91 T92 I95 M150 R271 I274	C85-F89 VanDerWaalsContact O-CD2 3.28Å; C85-F89 WeakPolarHBondContact O-CD2 3.46Å; C85-F89 PolarHBondContact O-N 2.94Å; L86-F89 PolarHBondContact O-N 2.95Å; F89-K91 PolarHBondContact O-N 2.9Å; F89-T92 WeakPolarHBondContact O-CB 3.31Å; F89-T92 PolarHBondContact O-N 3.19Å; F89-T92 PolarHBondContact O-OG1 3.25Å; F89-T92 VanDerWaalsContact O-OG1 3.14Å; F89-I95 HydrophobicContact CB-CD1 4.03Å; F89-I95 HydrophobicContact CD1-CD1 4Å; F89-I95 HydrophobicContact CG-CD1 4.45Å; F89-M150 HydrophobicContact CB-CE 4.09Å; F89-M150 HydrophobicContact CB-SD 3.55Å; F89-M150 VanDerWaalsContact CB-SD 3.55Å; F89-M150 HydrophobicContact CD1-CE 3.86Å; F89-M150 HydrophobicContact CD1-SD 4.37Å; F89-M150 HydrophobicContact CD2-CE 4.09Å; F89-M150 HydrophobicContact CD2-SD 3.78Å; F89-M150 HydrophobicContact CE1-CE 4.34Å; F89-M150 HydrophobicContact CG-CE 3.74Å; F89-M150 HydrophobicContact CG-SD 3.64Å; F89-R271 HydrophobicContact CE1-CG 4.23Å; F89-I274 HydrophobicContact CE2-CD1 4.04Å; F89-I274 HydrophobicContact CZ-CD1 3.68Å; F89-I274 HydrophobicContact CZ-CG2 4.3Å
90	S	93.6	Very high	93.9	Very high	61 Å²	61	45.4 Å²	45.4	43%	0.427	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.6	179.5	73	0	0	0	0	114	L86 E87 T92	L86-S90 WeakPolarHBondContact O-CB 3.28Å; L86-S90 PolarHBondContact O-N 3.46Å; E87-S90 PolarHBondContact O-OG 3.48Å; S90-T92 PolarHBondContact O-N 3.42Å
91	K	90.1	Very high	93.8	Very high	176 Å²	176	45.8 Å²	45.8	77%	0.765	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-7	175.4	-61.1	175.9	-174.8	175.8	0	113.5	F89	F89-K91 PolarHBondContact O-N 2.9Å
92	T	89	Confident	93.7	Very high	37 Å²	37	45.9 Å²	45.9	23%	0.227	25%	0.252	C	S	.	.	S	Bend	trans	-98.9	127.4	-178.5	-44.4	0	0	0	0	110.4	F89 S90 N94 I95 R271	F89-T92 WeakPolarHBondContact O-CB 3.31Å; F89-T92 PolarHBondContact O-N 3.19Å; F89-T92 PolarHBondContact O-OG1 3.25Å; F89-T92 VanDerWaalsContact O-OG1 3.14Å; S90-T92 PolarHBondContact O-N 3.42Å; T92-N94 PolarHBondContact O-N 2.78Å; T92-I95 HydrophobicContact CG2-CD1 4.14Å; T92-I95 HydrophobicContact CG2-CG1 4.31Å; T92-I95 PolarHBondContact O-N 2.87Å; T92-R271 PolarHBondContact OG1-NH2 3.05Å
93	S	79.5	Confident	93.5	Very high	116 Å²	116	50 Å²	50	81%	0.811	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.9	-170.9	51	0	0	0	0	116.4
94	N	90.1	Very high	93.6	Very high	97 Å²	97	52 Å²	52	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	14.1	-177.1	-65.9	-25.9	0	0	0	113.8	T92 V148	T92-N94 PolarHBondContact O-N 2.78Å; N94-V148 PolarHBondContact O-N 3.06Å
95	I	94.6	Very high	93.6	Very high	17 Å²	17	50.1 Å²	50.1	9%	0.087	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.4	-177.5	-54.2	179.6	0	0	0	109.9	F89 T92 V97 V148 M150 L275	F89-I95 HydrophobicContact CB-CD1 4.03Å; F89-I95 HydrophobicContact CD1-CD1 4Å; F89-I95 HydrophobicContact CG-CD1 4.45Å; T92-I95 HydrophobicContact CG2-CD1 4.14Å; T92-I95 HydrophobicContact CG2-CG1 4.31Å; T92-I95 PolarHBondContact O-N 2.87Å; I95-V97 HydrophobicContact CG2-CG2 4.13Å; I95-V148 WeakPolarHBondContact CA-O 3.38Å; I95-V148 HydrophobicContact CG1-CB 4.22Å; I95-V148 HydrophobicContact CG1-CG1 4.45Å; I95-V148 HydrophobicContact CG2-CG1 4.36Å; I95-M150 HydrophobicContact CD1-CE 4.13Å; I95-M150 HydrophobicContact CG2-CE 4.34Å; I95-M150 HydrophobicContact CG2-CG 3.9Å; I95-M150 HydrophobicContact CG2-SD 4.03Å; I95-L275 HydrophobicContact CD1-CD1 4.46Å; I95-L275 HydrophobicContact CD1-CD2 3.56Å; I95-L275 HydrophobicContact CG1-CD2 4.26Å
96	E	95.8	Very high	93.6	Very high	28 Å²	28	54.6 Å²	54.6	13%	0.131	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.2	165.5	-179.7	179.6	-124.3	0	0	109.1	L98 M144 S145 A146 V148 R149 M150	E96-L98 HydrophobicContact CG-CD2 4.31Å; E96-L98 HydrophobicContact CG-CG 4.47Å; E96-M144 WeakPolarHBondContact OE2-CA 3.47Å; E96-S145 WeakPolarHBondContact OE1-CB 3.45Å; E96-S145 PolarHBondContact OE1-N 3.11Å; E96-S145 PolarHBondContact OE1-OG 3.44Å; E96-A146 HydrophobicContact CB-CB 3.87Å; E96-V148 PolarHBondContact N-O 3.39Å; E96-R149 CarbonylContact O-C 3.59Å; E96-R149 VanDerWaalsContact O-CA 3.29Å; E96-R149 WeakPolarHBondContact O-CA 3.48Å; E96-R149 IonicContact OE1-NH2 3.83Å; E96-R149 IonicContact OE2-CZ 2.86Å; E96-R149 IonicContact OE2-NE 3.18Å; E96-R149 PolarHBondContact OE2-NE 3.22Å; E96-R149 IonicContact OE2-NH2 2.83Å; E96-R149 PolarHBondContact OE2-NH2 3.22Å; E96-M150 PolarHBondContact O-N 3.11Å
97	V	96.5	Very high	93.6	Very high	40 Å²	40	59.4 Å²	59.4	24%	0.242	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.5	176.8	164.1	0	0	0	0	110.1	L86 I95 T99 M150	L86-V97 HydrophobicContact CB-CG1 3.73Å; L86-V97 HydrophobicContact CD1-CG1 4.29Å; L86-V97 HydrophobicContact CD2-CG1 4.09Å; L86-V97 HydrophobicContact CD2-CG2 4.31Å; L86-V97 HydrophobicContact CG-CG1 4.26Å; I95-V97 HydrophobicContact CG2-CG2 4.13Å; V97-T99 HydrophobicContact CG1-CG2 4.15Å; V97-M150 HydrophobicContact CG2-CB 4.5Å
98	L	96.5	Very high	93.6	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.099	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	94.3	175.7	-67.4	-167.9	0	0	0	111	E96 R139 R149 M150 M151 E152	E96-L98 HydrophobicContact CG-CD2 4.31Å; E96-L98 HydrophobicContact CG-CG 4.47Å; L98-R139 HydrophobicContact CD1-CB 4.43Å; L98-R149 HydrophobicContact CD1-CG 4.24Å; L98-R149 HydrophobicContact CG-CG 4.36Å; L98-M150 PolarHBondContact N-O 3.19Å; L98-M151 HydrophobicContact CB-CB 4.47Å; L98-M151 HydrophobicContact CB-CG 4.12Å; L98-M151 HydrophobicContact CD1-CE 4.12Å; L98-M151 HydrophobicContact CD1-CG 4.31Å; L98-M151 HydrophobicContact CD1-SD 4.41Å; L98-M151 CarbonylContact O-C 3.48Å; L98-M151 WeakPolarHBondContact O-CA 3.25Å; L98-E152 PolarHBondContact O-N 3.12Å
99	T	96.3	Very high	93.6	Very high	58 Å²	58	65.9 Å²	65.9	36%	0.356	34%	0.34	S	S	.	.			trans	-68.5	164.4	172.9	55.1	0	0	0	0	114.3	T83 L86 V97 R139 E152	T83-T99 HydrophobicContact CG2-CG2 4.39Å; L86-T99 HydrophobicContact CD1-CG2 4.28Å; V97-T99 HydrophobicContact CG1-CG2 4.15Å; T99-R139 PolarHBondContact O-NE 3.33Å; T99-R139 PolarHBondContact O-NH2 3.47Å; T99-E152 WeakPolarHBondContact CA-OE2 3.31Å; T99-E152 WeakPolarHBondContact CB-OE2 3.22Å
100	E	94.1	Very high	93.6	Very high	29 Å²	29	69 Å²	69	14%	0.136	37%	0.373	C	S	.	.			trans	-61.7	135.7	173.7	-70.7	-174.6	81.5	0	0	109.9	V102 W105 M136 E152 R153	E100-V102 HydrophobicContact CB-CG2 3.78Å; E100-V102 PolarHBondContact O-N 3.41Å; E100-W105 HydrophobicContact CB-CH2 3.91Å; E100-W105 HydrophobicContact CB-CZ3 4.18Å; E100-W105 HydrophobicContact CG-CH2 4.18Å; E100-W105 VanDerWaalsContact OE1-CH2 3.23Å; E100-W105 WeakPolarHBondContact OE1-CH2 3.45Å; E100-W105 WeakPolarHBondContact OE1-CZ3 3.36Å; E100-M136 HydrophobicContact CG-CE 4.1Å; E100-E152 HydrophobicContact CG-CB 3.89Å; E100-E152 HydrophobicContact CG-CG 3.77Å; E100-E152 PolarHBondContact N-OE2 3.2Å; E100-R153 VanDerWaalsContact CD-CD 3.43Å; E100-R153 VanDerWaalsContact CD-NE 3.3Å; E100-R153 HydrophobicContact CG-CB 4.4Å; E100-R153 HydrophobicContact CG-CG 4.28Å; E100-R153 WeakPolarHBondContact OE1-CD 3.48Å; E100-R153 IonicContact OE1-NE 3.8Å; E100-R153 PolarHBondContact OE1-NE 3.13Å; E100-R153 WeakPolarHBondContact OE2-CD 3.45Å; E100-R153 IonicContact OE2-CZ 2.75Å; E100-R153 IonicContact OE2-NE 3.7Å; E100-R153 PolarHBondContact OE2-NE 2.84Å
101	P	93.8	Very high	93.7	Very high	9 Å²	9	72.1 Å²	72.1	6%	0.058	38%	0.38	C	S	.	.			trans	-78.5	48.8	-178.9	33.3	-34	0	0	0	111.8	S103 K104 W105	P101-S103 PolarHBondContact O-N 3.07Å; P101-S103 VanDerWaalsContact O-N 3.13Å; P101-K104 HydrophobicContact CB-CB 4.38Å; P101-K104 HydrophobicContact CB-CD 4.19Å; P101-K104 HydrophobicContact CB-CG 4.28Å; P101-K104 WeakPolarHBondContact O-CA 3.36Å; P101-K104 VanDerWaalsContact O-CB 3.31Å; P101-K104 WeakPolarHBondContact O-CB 3.49Å; P101-K104 PolarHBondContact O-N 3.37Å; P101-W105 HydrophobicContact CG-CZ2 3.77Å; P101-W105 PolarHBondContact O-N 3.44Å
102	V	92.9	Very high	94	Very high	21 Å²	21	66 Å²	66	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-57.7	-32.8	-175.1	-177.7	0	0	0	0	112	E100 K104 W105 R106 L114	E100-V102 HydrophobicContact CB-CG2 3.78Å; E100-V102 PolarHBondContact O-N 3.41Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 2.88Å; V102-W105 HydrophobicContact CB-CE3 4.27Å; V102-W105 HydrophobicContact CG1-CE3 4.47Å; V102-W105 HydrophobicContact CG2-CE3 3.93Å; V102-W105 HydrophobicContact CG2-CZ3 3.89Å; V102-W105 PolarHBondContact O-N 3.47Å; V102-R106 HydrophobicContact CG1-CG 4.05Å; V102-R106 WeakPolarHBondContact O-CG 3.41Å; V102-R106 PolarHBondContact O-N 2.95Å; V102-L114 HydrophobicContact CG1-CD2 3.86Å
103	S	93.9	Very high	94.4	Very high	94 Å²	94	64.8 Å²	64.8	66%	0.657	35%	0.348	S	S	*	.	H	α-helix	trans	-58.6	-39.3	173.8	56.5	0	0	0	0	112.5	P101 W105 R106 N107	P101-S103 PolarHBondContact O-N 3.07Å; P101-S103 VanDerWaalsContact O-N 3.13Å; S103-W105 VanDerWaalsContact C-N 3.34Å; S103-R106 PolarHBondContact O-N 3.35Å; S103-N107 PolarHBondContact O-N 2.85Å
104	K	95.8	Very high	95.2	Very high	87 Å²	87	59.8 Å²	59.8	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-39.6	173.3	-67.2	-170.4	177.6	179.8	0	110.7	P101 V102 R106 N107 V108 Y131 T135 D138	P101-K104 HydrophobicContact CB-CB 4.38Å; P101-K104 HydrophobicContact CB-CD 4.19Å; P101-K104 HydrophobicContact CB-CG 4.28Å; P101-K104 WeakPolarHBondContact O-CA 3.36Å; P101-K104 VanDerWaalsContact O-CB 3.31Å; P101-K104 WeakPolarHBondContact O-CB 3.49Å; P101-K104 PolarHBondContact O-N 3.37Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 2.88Å; K104-R106 VanDerWaalsContact C-N 3.32Å; K104-R106 PolarHBondContact O-N 2.97Å; K104-N107 CarbonylContact O-C 3.4Å; K104-N107 PolarHBondContact O-N 3.33Å; K104-V108 WeakPolarHBondContact O-CG2 3.48Å; K104-Y131 HydrophobicContact CB-CE1 4.22Å; K104-Y131 WeakPolarHBondContact O-CE1 3.31Å; K104-T135 HydrophobicContact CD-CG2 4.03Å; K104-D138 IonicContact NZ-OD2 2.83Å; K104-D138 PolarHBondContact NZ-OD2 3.32Å
105	W	96.2	Very high	95.5	Very high	14 Å²	14	55.4 Å²	55.4	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-73.2	-23.8	-178.6	-51.9	-22.6	0	0	0	113.7	E100 P101 V102 S103 P113 L114 L128 Y131 V132 T135 M136	E100-W105 HydrophobicContact CB-CH2 3.91Å; E100-W105 HydrophobicContact CB-CZ3 4.18Å; E100-W105 HydrophobicContact CG-CH2 4.18Å; E100-W105 VanDerWaalsContact OE1-CH2 3.23Å; E100-W105 WeakPolarHBondContact OE1-CH2 3.45Å; E100-W105 WeakPolarHBondContact OE1-CZ3 3.36Å; P101-W105 HydrophobicContact CG-CZ2 3.77Å; P101-W105 PolarHBondContact O-N 3.44Å; V102-W105 HydrophobicContact CB-CE3 4.27Å; V102-W105 HydrophobicContact CG1-CE3 4.47Å; V102-W105 HydrophobicContact CG2-CE3 3.93Å; V102-W105 HydrophobicContact CG2-CZ3 3.89Å; V102-W105 PolarHBondContact O-N 3.47Å; S103-W105 VanDerWaalsContact C-N 3.34Å; W105-P113 WeakPolarHBondContact O-CD 3.49Å; W105-L114 HydrophobicContact CB-CB 4.28Å; W105-L114 PolarHBondContact O-N 2.69Å; W105-L114 VanDerWaalsContact O-N 3.16Å; W105-L128 HydrophobicContact CB-CD1 4.24Å; W105-Y131 AromaticContact CD1-CD1 3.76Å; W105-Y131 AromaticContact CD1-CE1 3.84Å; W105-V132 HydrophobicContact CD2-CG2 4.11Å; W105-V132 HydrophobicContact CH2-CG1 4.35Å; W105-V132 HydrophobicContact CH2-CG2 4.42Å; W105-V132 HydrophobicContact CZ2-CB 4.39Å; W105-V132 HydrophobicContact CZ2-CG1 4.01Å; W105-V132 HydrophobicContact CZ2-CG2 4Å; W105-T135 PolarHBondContact NE1-OG1 3.46Å; W105-M136 HydrophobicContact CH2-CE 3.99Å; W105-M136 HydrophobicContact CZ2-CE 4.18Å
106	R	95.8	Very high	95.6	Very high	93 Å²	93	56.6 Å²	56.6	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-87.6	-17.1	176.3	-67.8	177.4	75	-166.5	9	113.7	V102 S103 K104 N112 L114 E219	V102-R106 HydrophobicContact CG1-CG 4.05Å; V102-R106 WeakPolarHBondContact O-CG 3.41Å; V102-R106 PolarHBondContact O-N 2.95Å; S103-R106 PolarHBondContact O-N 3.35Å; K104-R106 VanDerWaalsContact C-N 3.32Å; K104-R106 PolarHBondContact O-N 2.97Å; R106-N112 WeakPolarHBondContact CA-OD1 3.43Å; R106-N112 VanDerWaalsContact O-CA 3.29Å; R106-N112 WeakPolarHBondContact O-CA 3.47Å; R106-N112 VanDerWaalsContact O-CB 3.32Å; R106-N112 WeakPolarHBondContact O-CB 3.42Å; R106-L114 HydrophobicContact CG-CB 4.37Å; R106-L114 HydrophobicContact CG-CD2 3.96Å; R106-E219 IonicContact CZ-OE1 3.22Å; R106-E219 VanDerWaalsContact CZ-OE1 3.22Å; R106-E219 IonicContact CZ-OE2 3.43Å; R106-E219 IonicContact NE-OE1 2.76Å; R106-E219 PolarHBondContact NE-OE1 2.85Å; R106-E219 IonicContact NE-OE2 3.4Å; R106-E219 PolarHBondContact NE-OE2 2.96Å; R106-E219 VanDerWaalsContact NH2-CD 3.32Å; R106-E219 IonicContact NH2-OE1 2.83Å; R106-E219 PolarHBondContact NH2-OE1 3.21Å; R106-E219 IonicContact NH2-OE2 2.97Å; R106-E219 PolarHBondContact NH2-OE2 3.27Å
107	N	95.9	Very high	95.6	Very high	102 Å²	102	55.6 Å²	55.6	55%	0.545	29%	0.292	S	S	.	.			trans	-144.7	91.5	179.2	-171.1	-11	0	0	0	111.5	S103 K104 G110 H111	S103-N107 PolarHBondContact O-N 2.85Å; K104-N107 CarbonylContact O-C 3.4Å; K104-N107 PolarHBondContact O-N 3.33Å; N107-G110 WeakPolarHBondContact OD1-CA 3.4Å; N107-G110 PolarHBondContact OD1-N 2.75Å; N107-H111 CarbonylContact C-O 3.5Å; N107-H111 VanDerWaalsContact CA-O 3.24Å; N107-H111 WeakPolarHBondContact CA-O 3.4Å
108	V	95.6	Very high	95.5	Very high	43 Å²	43	55.5 Å²	55.5	26%	0.261	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-103.7	91.9	167.3	-174.5	0	0	0	0	107.7	K104 G110 H111 P113 Y131	K104-V108 WeakPolarHBondContact O-CG2 3.48Å; V108-G110 VanDerWaalsContact C-N 3.31Å; V108-G110 PolarHBondContact O-N 3.41Å; V108-H111 PolarHBondContact N-O 3.05Å; V108-H111 WeakPolarHBondContact O-CB 3.41Å; V108-H111 PolarHBondContact O-N 2.85Å; V108-H111 VanDerWaalsContact O-N 3.09Å; V108-P113 HydrophobicContact CB-CG 4.11Å; V108-P113 HydrophobicContact CG2-CG 3.7Å; V108-Y131 HydrophobicContact CG2-CD1 3.85Å; V108-Y131 HydrophobicContact CG2-CE1 3.26Å
109	R	94.3	Very high	95.5	Very high	242 Å²	242	61.6 Å²	61.6	91%	0.913	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	45	-179.8	-59	-178.6	174.5	178.2	-1.1	113
110	G	95.2	Very high	95.5	Very high	66 Å²	66	62.1 Å²	62.1	68%	0.68	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-5.4	179.9	0	0	0	0	0	114.8	N107 V108	N107-G110 WeakPolarHBondContact OD1-CA 3.4Å; N107-G110 PolarHBondContact OD1-N 2.75Å; V108-G110 VanDerWaalsContact C-N 3.31Å; V108-G110 PolarHBondContact O-N 3.41Å
111	H	96.2	Very high	95.6	Very high	127 Å²	127	61.9 Å²	61.9	59%	0.588	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-100.3	147.7	176.2	-60.4	-83.4	0	0	0	111.5	N107 V108 P113	N107-H111 CarbonylContact C-O 3.5Å; N107-H111 VanDerWaalsContact CA-O 3.24Å; N107-H111 WeakPolarHBondContact CA-O 3.4Å; V108-H111 PolarHBondContact N-O 3.05Å; V108-H111 WeakPolarHBondContact O-CB 3.41Å; V108-H111 PolarHBondContact O-N 2.85Å; V108-H111 VanDerWaalsContact O-N 3.09Å; H111-P113 WeakPolarHBondContact O-CD 3.47Å
112	N	96.8	Very high	95.8	Very high	46 Å²	46	65.4 Å²	65.4	25%	0.246	34%	0.338	C	S	.	.			trans	-109.5	77.9	176.7	-174.2	-8.2	0	0	0	111.5	R106 L114 G115 L116 E219	R106-N112 WeakPolarHBondContact CA-OD1 3.43Å; R106-N112 VanDerWaalsContact O-CA 3.29Å; R106-N112 WeakPolarHBondContact O-CA 3.47Å; R106-N112 VanDerWaalsContact O-CB 3.32Å; R106-N112 WeakPolarHBondContact O-CB 3.42Å; N112-L114 PolarHBondContact O-N 2.84Å; N112-L114 PolarHBondContact OD1-N 2.84Å; N112-G115 PolarHBondContact O-N 3.32Å; N112-G115 VanDerWaalsContact O-N 3.17Å; N112-G115 PolarHBondContact OD1-N 3.33Å; N112-L116 WeakPolarHBondContact O-CG 3.32Å; N112-L116 PolarHBondContact O-N 2.82Å; N112-E219 WeakPolarHBondContact ND2-CG 3.32Å; N112-E219 PolarHBondContact ND2-OE1 3.34Å
113	P	97.1	Very high	96	Very high	12 Å²	12	70.7 Å²	70.7	8%	0.078	36%	0.356	C	S	.	.	H	α-helix	trans	-52.2	-35.6	177	-29.8	32.5	0	0	0	114.7	W105 V108 H111 L116 M117 L128	W105-P113 WeakPolarHBondContact O-CD 3.49Å; V108-P113 HydrophobicContact CB-CG 4.11Å; V108-P113 HydrophobicContact CG2-CG 3.7Å; H111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-L116 PolarHBondContact O-N 3.47Å; P113-M117 WeakPolarHBondContact O-CB 3.29Å; P113-M117 PolarHBondContact O-N 3.33Å; P113-L128 HydrophobicContact CB-CD1 3.95Å
114	L	96.3	Very high	96.2	Very high	12 Å²	12	69.8 Å²	69.8	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-49.2	178.1	-178	63	0	0	0	111.3	V102 W105 R106 N112 M117 Y118 L128	V102-L114 HydrophobicContact CG1-CD2 3.86Å; W105-L114 HydrophobicContact CB-CB 4.28Å; W105-L114 PolarHBondContact O-N 2.69Å; W105-L114 VanDerWaalsContact O-N 3.16Å; R106-L114 HydrophobicContact CG-CB 4.37Å; R106-L114 HydrophobicContact CG-CD2 3.96Å; N112-L114 PolarHBondContact O-N 2.84Å; N112-L114 PolarHBondContact OD1-N 2.84Å; L114-M117 HydrophobicContact CD1-CE 4.23Å; L114-M117 PolarHBondContact O-N 3.28Å; L114-Y118 HydrophobicContact CD1-CD2 4.18Å; L114-Y118 HydrophobicContact CD1-CE2 3.55Å; L114-Y118 HydrophobicContact CG-CD2 4.23Å; L114-Y118 HydrophobicContact CG-CE2 3.88Å; L114-Y118 VanDerWaalsContact O-CD2 3.31Å; L114-Y118 WeakPolarHBondContact O-CD2 3.43Å; L114-Y118 PolarHBondContact O-N 2.92Å; L114-L128 HydrophobicContact CB-CD1 4.48Å; L114-L128 HydrophobicContact CD1-CD2 3.88Å
115	G	95.8	Very high	96.3	Very high	4 Å²	4	65.7 Å²	65.7	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-42.7	175.8	0	0	0	0	0	112.5	N112 M117 Y118 Q119	N112-G115 PolarHBondContact O-N 3.32Å; N112-G115 VanDerWaalsContact O-N 3.17Å; N112-G115 PolarHBondContact OD1-N 3.33Å; G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 PolarHBondContact O-N 3.21Å; G115-Y118 PolarHBondContact O-N 2.77Å; G115-Q119 VanDerWaalsContact O-CG 3.32Å; G115-Q119 WeakPolarHBondContact O-CG 3.33Å; G115-Q119 PolarHBondContact O-N 3.43Å
116	L	96.7	Very high	96.4	Very high	43 Å²	43	67 Å²	67	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-40.2	176.5	-71.5	171.9	0	0	0	112.1	N112 P113 Q119 D120 W124	N112-L116 WeakPolarHBondContact O-CG 3.32Å; N112-L116 PolarHBondContact O-N 2.82Å; P113-L116 PolarHBondContact O-N 3.47Å; L116-Q119 PolarHBondContact O-N 3.33Å; L116-D120 PolarHBondContact O-N 2.81Å; L116-W124 HydrophobicContact CB-CB 4.16Å; L116-W124 HydrophobicContact CB-CD2 3.95Å; L116-W124 HydrophobicContact CB-CG 3.7Å; L116-W124 HydrophobicContact CD1-CD2 4.17Å; L116-W124 HydrophobicContact CD1-CE3 4.27Å; L116-W124 HydrophobicContact CD1-CH2 4.31Å; L116-W124 HydrophobicContact CD1-CZ2 4.21Å; L116-W124 HydrophobicContact CD1-CZ3 4.33Å; L116-W124 HydrophobicContact CD2-CZ2 4.41Å; L116-W124 VanDerWaalsContact O-CD1 3.27Å
117	M	96.8	Very high	96.5	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-41.3	176.6	-176.4	-80.3	-57.8	0	0	112.6	P113 L114 G115 Q119 D120 P121 W124 L128	P113-M117 WeakPolarHBondContact O-CB 3.29Å; P113-M117 PolarHBondContact O-N 3.33Å; L114-M117 HydrophobicContact CD1-CE 4.23Å; L114-M117 PolarHBondContact O-N 3.28Å; G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 PolarHBondContact O-N 3.21Å; M117-Q119 VanDerWaalsContact C-N 3.28Å; M117-Q119 PolarHBondContact O-N 2.97Å; M117-D120 CarbonylContact O-C 3.44Å; M117-P121 WeakPolarHBondContact O-CA 3.29Å; M117-P121 WeakPolarHBondContact O-CB 3.27Å; M117-P121 VanDerWaalsContact O-CD 3.32Å; M117-P121 WeakPolarHBondContact O-CD 3.48Å; M117-P121 HydrophobicContact SD-CB 4.38Å; M117-W124 HydrophobicContact CB-CB 4.35Å; M117-L128 HydrophobicContact CB-CB 4.06Å; M117-L128 HydrophobicContact CB-CD2 3.58Å; M117-L128 HydrophobicContact CB-CG 4.44Å; M117-L128 HydrophobicContact CE-CD2 3.52Å; M117-L128 HydrophobicContact CG-CB 4.23Å; M117-L128 HydrophobicContact CG-CD2 3.66Å; M117-L128 HydrophobicContact SD-CD2 4.36Å
118	Y	94.6	Very high	96.6	Very high	39 Å²	39	60.6 Å²	60.6	15%	0.153	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-28.4	176.2	-71.3	-58	0	0	0	112.7	L114 G115 E219 E220 I222 I223	L114-Y118 HydrophobicContact CD1-CD2 4.18Å; L114-Y118 HydrophobicContact CD1-CE2 3.55Å; L114-Y118 HydrophobicContact CG-CD2 4.23Å; L114-Y118 HydrophobicContact CG-CE2 3.88Å; L114-Y118 VanDerWaalsContact O-CD2 3.31Å; L114-Y118 WeakPolarHBondContact O-CD2 3.43Å; L114-Y118 PolarHBondContact O-N 2.92Å; G115-Y118 PolarHBondContact O-N 2.77Å; Y118-E219 HydrophobicContact CD2-CB 4.28Å; Y118-E219 VanDerWaalsContact CD2-O 3.29Å; Y118-E219 WeakPolarHBondContact CD2-O 3.28Å; Y118-E220 HydrophobicContact CE2-CG 4.26Å; Y118-I222 VanDerWaalsContact O-CD1 3.31Å; Y118-I222 WeakPolarHBondContact O-CD1 3.24Å; Y118-I223 HydrophobicContact CD1-CD1 4.17Å; Y118-I223 HydrophobicContact CD1-CG1 3.81Å; Y118-I223 HydrophobicContact CE1-CD1 3.49Å; Y118-I223 VanDerWaalsContact CE1-CD1 3.49Å; Y118-I223 HydrophobicContact CE1-CG1 3.59Å; Y118-I223 HydrophobicContact CE2-CD1 4.04Å; Y118-I223 HydrophobicContact CG-CG1 4.42Å; Y118-I223 VanDerWaalsContact CZ-CD1 3.41Å; Y118-I223 WeakPolarHBondContact OH-CD1 3.18Å
119	Q	95.1	Very high	96.7	Very high	146 Å²	146	58.9 Å²	58.9	68%	0.682	29%	0.292	S	S	*	.	H	α-helix	trans	-75.9	-47.1	176.5	-71.1	170.8	9.6	0	0	113	G115 L116 M117 I222	G115-Q119 VanDerWaalsContact O-CG 3.32Å; G115-Q119 WeakPolarHBondContact O-CG 3.33Å; G115-Q119 PolarHBondContact O-N 3.43Å; L116-Q119 PolarHBondContact O-N 3.33Å; M117-Q119 VanDerWaalsContact C-N 3.28Å; M117-Q119 PolarHBondContact O-N 2.97Å; Q119-I222 HydrophobicContact CG-CD1 4.33Å
120	D	96.4	Very high	96.9	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	27%	0.269	S	S	.	.			trans	-139.2	85.4	177.5	-177.4	-9.1	0	0	0	109.5	L116 M117 T122 R123 W124	L116-D120 PolarHBondContact O-N 2.81Å; M117-D120 CarbonylContact O-C 3.44Å; D120-T122 PolarHBondContact O-N 3.27Å; D120-T122 PolarHBondContact OD1-N 3.08Å; D120-R123 HydrophobicContact CB-CB 4.22Å; D120-R123 PolarHBondContact O-N 3.4Å; D120-R123 PolarHBondContact OD1-N 2.83Å; D120-R123 WeakPolarHBondContact OD2-CB 3.38Å; D120-W124 WeakPolarHBondContact O-CB 3.43Å; D120-W124 PolarHBondContact O-N 2.83Å
121	P	96.3	Very high	97	Very high	25 Å²	25	50.2 Å²	50.2	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-26.4	-177.6	24.9	-33.8	0	0	0	112.3	M117 G125 L166 K171	M117-P121 WeakPolarHBondContact O-CA 3.29Å; M117-P121 WeakPolarHBondContact O-CB 3.27Å; M117-P121 VanDerWaalsContact O-CD 3.32Å; M117-P121 WeakPolarHBondContact O-CD 3.48Å; M117-P121 HydrophobicContact SD-CB 4.38Å; P121-G125 WeakPolarHBondContact O-CA 3.36Å; P121-G125 PolarHBondContact O-N 3.16Å; P121-L166 HydrophobicContact CB-CD2 3.92Å; P121-K171 HydrophobicContact CB-CB 4.35Å; P121-K171 HydrophobicContact CB-CD 3.9Å; P121-K171 HydrophobicContact CB-CG 4.46Å; P121-K171 HydrophobicContact CG-CD 3.58Å; P121-K171 HydrophobicContact CG-CG 4.17Å
122	T	97.5	Very high	97.1	Very high	82 Å²	82	44.6 Å²	44.6	50%	0.503	22%	0.222	S	C	.	.	H	α-helix	trans	-67.7	-42.6	177.5	-54.7	0	0	0	0	111	D120 K171	D120-T122 PolarHBondContact O-N 3.27Å; D120-T122 PolarHBondContact OD1-N 3.08Å; T122-K171 WeakPolarHBondContact CA-O 3.44Å
123	R	98	Very high	97.2	Very high	133 Å²	133	42.8 Å²	42.8	50%	0.502	21%	0.212	S	C	.	.	H	α-helix	trans	-77.8	-39.5	178.8	177.3	58.7	-173.2	83.8	-0	113.4	D120	D120-R123 HydrophobicContact CB-CB 4.22Å; D120-R123 PolarHBondContact O-N 3.4Å; D120-R123 PolarHBondContact OD1-N 2.83Å; D120-R123 WeakPolarHBondContact OD2-CB 3.38Å
124	W	98.1	Very high	97.1	Very high	74 Å²	74	46.8 Å²	46.8	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-109.6	-4.5	-166.6	-61.6	108.4	0	0	0	114.2	L116 M117 D120 T127 L128	L116-W124 HydrophobicContact CB-CB 4.16Å; L116-W124 HydrophobicContact CB-CD2 3.95Å; L116-W124 HydrophobicContact CB-CG 3.7Å; L116-W124 HydrophobicContact CD1-CD2 4.17Å; L116-W124 HydrophobicContact CD1-CE3 4.27Å; L116-W124 HydrophobicContact CD1-CH2 4.31Å; L116-W124 HydrophobicContact CD1-CZ2 4.21Å; L116-W124 HydrophobicContact CD1-CZ3 4.33Å; L116-W124 HydrophobicContact CD2-CZ2 4.41Å; L116-W124 VanDerWaalsContact O-CD1 3.27Å; M117-W124 HydrophobicContact CB-CB 4.35Å; D120-W124 WeakPolarHBondContact O-CB 3.43Å; D120-W124 PolarHBondContact O-N 2.83Å; W124-T127 HydrophobicContact CE3-CG2 4.17Å; W124-T127 WeakPolarHBondContact O-CB 3.44Å; W124-T127 PolarHBondContact O-N 3.03Å; W124-L128 PolarHBondContact O-N 2.82Å
125	G	97.7	Very high	97.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-52.7	-58.2	179.3	0	0	0	0	0	112.7	P121 T127 L128 Q129	P121-G125 WeakPolarHBondContact O-CA 3.36Å; P121-G125 PolarHBondContact O-N 3.16Å; G125-T127 VanDerWaalsContact C-N 3.29Å; G125-T127 PolarHBondContact O-N 3.06Å; G125-L128 PolarHBondContact O-N 2.9Å; G125-Q129 WeakPolarHBondContact O-CB 3.42Å; G125-Q129 VanDerWaalsContact O-CG 3.26Å; G125-Q129 WeakPolarHBondContact O-CG 3.39Å; G125-Q129 PolarHBondContact O-N 3.32Å
126	I	97.7	Very high	97.2	Very high	41 Å²	41	46.4 Å²	46.4	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-37.7	178.3	-175.4	167.2	0	0	0	112.7	Q129 T130 D176 L180	I126-Q129 PolarHBondContact O-N 2.93Å; I126-T130 VanDerWaalsContact O-CB 3.32Å; I126-T130 WeakPolarHBondContact O-CB 3.12Å; I126-T130 PolarHBondContact O-N 2.85Å; I126-T130 PolarHBondContact O-OG1 2.98Å; I126-D176 HydrophobicContact CB-CB 4.33Å; I126-D176 HydrophobicContact CD1-CB 3.74Å; I126-D176 VanDerWaalsContact CD1-CG 3.5Å; I126-D176 WeakPolarHBondContact CD1-OD1 3.48Å; I126-D176 HydrophobicContact CG1-CB 4.47Å; I126-L180 HydrophobicContact CG1-CD1 4.21Å; I126-L180 HydrophobicContact CG1-CG 4.39Å
127	T	98.1	Very high	97.2	Very high	58 Å²	58	45.5 Å²	45.5	36%	0.356	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-49.4	-178.9	-61.2	0	0	0	0	110.6	W124 G125 Y131	W124-T127 HydrophobicContact CE3-CG2 4.17Å; W124-T127 WeakPolarHBondContact O-CB 3.44Å; W124-T127 PolarHBondContact O-N 3.03Å; G125-T127 VanDerWaalsContact C-N 3.29Å; G125-T127 PolarHBondContact O-N 3.06Å; T127-Y131 PolarHBondContact O-N 3.17Å
128	L	98.1	Very high	97.1	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-49	177.4	179	66.9	0	0	0	110.9	W105 P113 L114 M117 W124 G125 T130 Y131 V132	W105-L128 HydrophobicContact CB-CD1 4.24Å; P113-L128 HydrophobicContact CB-CD1 3.95Å; L114-L128 HydrophobicContact CB-CD1 4.48Å; L114-L128 HydrophobicContact CD1-CD2 3.88Å; M117-L128 HydrophobicContact CB-CB 4.06Å; M117-L128 HydrophobicContact CB-CD2 3.58Å; M117-L128 HydrophobicContact CB-CG 4.44Å; M117-L128 HydrophobicContact CE-CD2 3.52Å; M117-L128 HydrophobicContact CG-CB 4.23Å; M117-L128 HydrophobicContact CG-CD2 3.66Å; M117-L128 HydrophobicContact SD-CD2 4.36Å; W124-L128 PolarHBondContact O-N 2.82Å; G125-L128 PolarHBondContact O-N 2.9Å; L128-T130 VanDerWaalsContact C-N 3.33Å; L128-T130 PolarHBondContact O-N 3.18Å; L128-Y131 CarbonylContact O-C 3.59Å; L128-Y131 PolarHBondContact O-N 3.36Å; L128-V132 HydrophobicContact CD1-CG2 4.01Å; L128-V132 HydrophobicContact CG-CG2 4Å; L128-V132 WeakPolarHBondContact O-CG2 3.13Å; L128-V132 PolarHBondContact O-N 3.08Å
129	Q	98.2	Very high	97.1	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.028	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-35.9	-173.6	-66.4	-54.3	-32.7	0	0	112.9	G125 I126 Y131 V132 Q133 V163 L166 M172 L180	G125-Q129 WeakPolarHBondContact O-CB 3.42Å; G125-Q129 VanDerWaalsContact O-CG 3.26Å; G125-Q129 WeakPolarHBondContact O-CG 3.39Å; G125-Q129 PolarHBondContact O-N 3.32Å; I126-Q129 PolarHBondContact O-N 2.93Å; Q129-Y131 VanDerWaalsContact C-N 3.32Å; Q129-Y131 PolarHBondContact O-N 3.04Å; Q129-V132 PolarHBondContact O-N 3.41Å; Q129-Q133 PolarHBondContact O-N 3.37Å; Q129-V163 HydrophobicContact CB-CG2 3.72Å; Q129-V163 HydrophobicContact CG-CG2 3.76Å; Q129-L166 HydrophobicContact CG-CD1 3.53Å; Q129-M172 HydrophobicContact CG-CE 4.32Å; Q129-L180 HydrophobicContact CB-CD1 3.85Å
130	T	98.1	Very high	97	Very high	68 Å²	68	43.6 Å²	43.6	42%	0.417	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-45.2	171.6	-55.4	0	0	0	0	110.9	I126 L128 Q133 L134 L180	I126-T130 VanDerWaalsContact O-CB 3.32Å; I126-T130 WeakPolarHBondContact O-CB 3.12Å; I126-T130 PolarHBondContact O-N 2.85Å; I126-T130 PolarHBondContact O-OG1 2.98Å; L128-T130 VanDerWaalsContact C-N 3.33Å; L128-T130 PolarHBondContact O-N 3.18Å; T130-Q133 PolarHBondContact O-N 3.23Å; T130-L134 PolarHBondContact O-N 2.91Å; T130-L180 WeakPolarHBondContact OG1-CD2 3.24Å
131	Y	98.3	Very high	96.9	Very high	58 Å²	58	45.1 Å²	45.1	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-71.6	-34.1	-179.3	-169.8	-123	0	0	0	112.7	K104 W105 V108 T127 L128 Q129 L134 T135	K104-Y131 HydrophobicContact CB-CE1 4.22Å; K104-Y131 WeakPolarHBondContact O-CE1 3.31Å; W105-Y131 AromaticContact CD1-CD1 3.76Å; W105-Y131 AromaticContact CD1-CE1 3.84Å; V108-Y131 HydrophobicContact CG2-CD1 3.85Å; V108-Y131 HydrophobicContact CG2-CE1 3.26Å; T127-Y131 PolarHBondContact O-N 3.17Å; L128-Y131 CarbonylContact O-C 3.59Å; L128-Y131 PolarHBondContact O-N 3.36Å; Q129-Y131 VanDerWaalsContact C-N 3.32Å; Q129-Y131 PolarHBondContact O-N 3.04Å; Y131-L134 HydrophobicContact CD2-CD2 4.2Å; Y131-L134 HydrophobicContact CE2-CD2 4.4Å; Y131-L134 PolarHBondContact O-N 3.42Å; Y131-T135 HydrophobicContact CD1-CG2 4.37Å; Y131-T135 HydrophobicContact CD2-CG2 4.19Å; Y131-T135 HydrophobicContact CE1-CG2 4.02Å; Y131-T135 HydrophobicContact CE2-CG2 3.83Å; Y131-T135 HydrophobicContact CG-CG2 4.45Å; Y131-T135 WeakPolarHBondContact O-CB 3.39Å; Y131-T135 WeakPolarHBondContact O-CG2 3.32Å; Y131-T135 PolarHBondContact O-N 2.91Å; Y131-T135 PolarHBondContact O-OG1 2.99Å
132	V	98.1	Very high	96.8	Very high	10 Å²	10	46 Å²	46	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-49.6	171.3	170.9	0	0	0	0	110	W105 L128 Q129 L134 T135 M136 A158	W105-V132 HydrophobicContact CD2-CG2 4.11Å; W105-V132 HydrophobicContact CH2-CG1 4.35Å; W105-V132 HydrophobicContact CH2-CG2 4.42Å; W105-V132 HydrophobicContact CZ2-CB 4.39Å; W105-V132 HydrophobicContact CZ2-CG1 4.01Å; W105-V132 HydrophobicContact CZ2-CG2 4Å; L128-V132 HydrophobicContact CD1-CG2 4.01Å; L128-V132 HydrophobicContact CG-CG2 4Å; L128-V132 WeakPolarHBondContact O-CG2 3.13Å; L128-V132 PolarHBondContact O-N 3.08Å; Q129-V132 PolarHBondContact O-N 3.41Å; V132-L134 VanDerWaalsContact C-N 3.34Å; V132-L134 PolarHBondContact O-N 3.38Å; V132-T135 PolarHBondContact O-N 3.34Å; V132-T135 PolarHBondContact O-OG1 3.26Å; V132-T135 VanDerWaalsContact O-OG1 3.13Å; V132-M136 HydrophobicContact CG1-CG 4.15Å; V132-M136 WeakPolarHBondContact O-CB 3.36Å; V132-M136 VanDerWaalsContact O-CG 3.26Å; V132-M136 WeakPolarHBondContact O-CG 3.37Å; V132-M136 PolarHBondContact O-N 3.32Å; V132-A158 HydrophobicContact CG1-CB 3.86Å
133	Q	97.4	Very high	96.5	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-45.2	176.8	-73.3	-168.9	16	0	0	112	Q129 T130 M136 L137 L180	Q129-Q133 PolarHBondContact O-N 3.37Å; T130-Q133 PolarHBondContact O-N 3.23Å; Q133-M136 PolarHBondContact O-N 3.09Å; Q133-L137 WeakPolarHBondContact O-CB 2.92Å; Q133-L137 PolarHBondContact O-N 3.1Å; Q133-L180 PolarHBondContact NE2-O 3.27Å
134	L	96.9	Very high	96.3	Very high	96 Å²	96	43.5 Å²	43.5	50%	0.503	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-50.6	176.8	173.9	62.6	0	0	0	112.1	T130 Y131 V132 L137 D138	T130-L134 PolarHBondContact O-N 2.91Å; Y131-L134 HydrophobicContact CD2-CD2 4.2Å; Y131-L134 HydrophobicContact CE2-CD2 4.4Å; Y131-L134 PolarHBondContact O-N 3.42Å; V132-L134 VanDerWaalsContact C-N 3.34Å; V132-L134 PolarHBondContact O-N 3.38Å; L134-L137 PolarHBondContact O-N 3.15Å; L134-D138 PolarHBondContact O-N 2.99Å
135	T	97.3	Very high	95.9	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-71.4	-30.7	-176.8	52.2	0	0	0	0	112.5	K104 W105 Y131 V132 R139	K104-T135 HydrophobicContact CD-CG2 4.03Å; W105-T135 PolarHBondContact NE1-OG1 3.46Å; Y131-T135 HydrophobicContact CD1-CG2 4.37Å; Y131-T135 HydrophobicContact CD2-CG2 4.19Å; Y131-T135 HydrophobicContact CE1-CG2 4.02Å; Y131-T135 HydrophobicContact CE2-CG2 3.83Å; Y131-T135 HydrophobicContact CG-CG2 4.45Å; Y131-T135 WeakPolarHBondContact O-CB 3.39Å; Y131-T135 WeakPolarHBondContact O-CG2 3.32Å; Y131-T135 PolarHBondContact O-N 2.91Å; Y131-T135 PolarHBondContact O-OG1 2.99Å; V132-T135 PolarHBondContact O-N 3.34Å; V132-T135 PolarHBondContact O-OG1 3.26Å; V132-T135 VanDerWaalsContact O-OG1 3.13Å; T135-R139 WeakPolarHBondContact O-CG 3.5Å; T135-R139 PolarHBondContact O-N 3.06Å
136	M	96.6	Very high	95.7	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-43.7	170.7	-72.8	-59.4	-158.6	0	0	111.3	E100 W105 V132 Q133 D138 R139 H140 R153 I155	E100-M136 HydrophobicContact CG-CE 4.1Å; W105-M136 HydrophobicContact CH2-CE 3.99Å; W105-M136 HydrophobicContact CZ2-CE 4.18Å; V132-M136 HydrophobicContact CG1-CG 4.15Å; V132-M136 WeakPolarHBondContact O-CB 3.36Å; V132-M136 VanDerWaalsContact O-CG 3.26Å; V132-M136 WeakPolarHBondContact O-CG 3.37Å; V132-M136 PolarHBondContact O-N 3.32Å; Q133-M136 PolarHBondContact O-N 3.09Å; M136-D138 VanDerWaalsContact C-N 3.34Å; M136-D138 PolarHBondContact O-N 3.12Å; M136-R139 WeakPolarHBondContact O-CB 3.33Å; M136-R139 PolarHBondContact O-N 3.17Å; M136-R139 VanDerWaalsContact O-N 3.1Å; M136-H140 PolarHBondContact O-CD2 2.86Å; M136-H140 PolarHBondContact O-N 3.35Å; M136-R153 HydrophobicContact CE-CB 3.82Å; M136-I155 HydrophobicContact CB-CB 4.47Å
137	L	96.1	Very high	95.5	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-44.7	175.9	178.1	59.5	0	0	0	111.7	Q133 L134 R139 H140 L141 I155 I187 I191 I193	Q133-L137 WeakPolarHBondContact O-CB 2.92Å; Q133-L137 PolarHBondContact O-N 3.1Å; L134-L137 PolarHBondContact O-N 3.15Å; L137-R139 PolarHBondContact O-N 3.12Å; L137-H140 PolarHBondContact O-N 3.45Å; L137-H140 VanDerWaalsContact O-N 3.12Å; L137-L141 HydrophobicContact CD1-CD1 3.92Å; L137-L141 HydrophobicContact CD1-CG 3.98Å; L137-L141 HydrophobicContact CG-CD1 3.9Å; L137-L141 HydrophobicContact CG-CG 4.37Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å; L137-L141 PolarHBondContact O-N 3.08Å; L137-I155 HydrophobicContact CB-CD1 4.48Å; L137-I187 HydrophobicContact CD1-CG2 3.8Å; L137-I187 HydrophobicContact CD2-CD1 4.01Å; L137-I187 HydrophobicContact CD2-CG1 4.11Å; L137-I187 HydrophobicContact CD2-CG2 4.43Å; L137-I191 HydrophobicContact CD1-CD1 3.87Å; L137-I191 HydrophobicContact CD1-CG2 4.23Å; L137-I191 HydrophobicContact CD2-CD1 4.03Å; L137-I193 HydrophobicContact CD1-CD1 4.11Å
138	D	95.3	Very high	95.4	Very high	88 Å²	88	43.4 Å²	43.4	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-53.2	-40.4	174	-176.9	50.6	0	0	0	111.8	K104 L134 M136 L141 S142	K104-D138 IonicContact NZ-OD2 2.83Å; K104-D138 PolarHBondContact NZ-OD2 3.32Å; L134-D138 PolarHBondContact O-N 2.99Å; M136-D138 VanDerWaalsContact C-N 3.34Å; M136-D138 PolarHBondContact O-N 3.12Å; D138-L141 PolarHBondContact O-N 2.93Å; D138-S142 PolarHBondContact O-N 2.67Å; D138-S142 VanDerWaalsContact O-N 3.15Å
139	R	94.3	Very high	95.3	Very high	49 Å²	49	43.6 Å²	43.6	19%	0.185	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-43.6	176.2	-64.7	-174.8	81	71.4	-8.8	112.7	L98 T99 T135 M136 L137 L141 S142 M151	L98-R139 HydrophobicContact CD1-CB 4.43Å; T99-R139 PolarHBondContact O-NE 3.33Å; T99-R139 PolarHBondContact O-NH2 3.47Å; T135-R139 WeakPolarHBondContact O-CG 3.5Å; T135-R139 PolarHBondContact O-N 3.06Å; M136-R139 WeakPolarHBondContact O-CB 3.33Å; M136-R139 PolarHBondContact O-N 3.17Å; M136-R139 VanDerWaalsContact O-N 3.1Å; L137-R139 PolarHBondContact O-N 3.12Å; R139-L141 PolarHBondContact O-N 3.17Å; R139-S142 WeakPolarHBondContact O-CB 3.33Å; R139-S142 PolarHBondContact O-N 3.32Å; R139-S142 VanDerWaalsContact O-N 3.17Å; R139-S142 PolarHBondContact O-OG 2.64Å; R139-M151 HydrophobicContact CB-CE 3.79Å
140	H	93.2	Very high	95.3	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-35.4	176.5	-75.4	-61.3	0	0	0	112.1	F73 M136 L137 M151 I155 I193	F73-H140 AromaticContact CE1-CE1 3.58Å; F73-H140 AromaticContact CZ-CE1 3.4Å; F73-H140 WeakPolarHBondContact CZ-CE1 3.43Å; F73-H140 AromaticContact CZ-ND1 3.97Å; M136-H140 PolarHBondContact O-CD2 2.86Å; M136-H140 PolarHBondContact O-N 3.35Å; L137-H140 PolarHBondContact O-N 3.45Å; L137-H140 VanDerWaalsContact O-N 3.12Å; H140-M151 VanDerWaalsContact CE1-CE 3.48Å; H140-M151 WeakPolarHBondContact CE1-CE 3.5Å; H140-I155 PolarHBondContact NE2-N 2.69Å; H140-I193 HydrophobicContact CB-CD1 3.74Å
141	L	93.6	Very high	95.2	Very high	101 Å²	101	40.2 Å²	40.2	53%	0.529	23%	0.225	S	C	.	.	H	α-helix	trans	-82.6	-11.3	179.4	-66.8	177.9	0	0	0	114.1	L137 D138 R139 I191	L137-L141 HydrophobicContact CD1-CD1 3.92Å; L137-L141 HydrophobicContact CD1-CG 3.98Å; L137-L141 HydrophobicContact CG-CD1 3.9Å; L137-L141 HydrophobicContact CG-CG 4.37Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å; L137-L141 PolarHBondContact O-N 3.08Å; D138-L141 PolarHBondContact O-N 2.93Å; R139-L141 PolarHBondContact O-N 3.17Å; L141-I191 HydrophobicContact CD2-CG2 3.62Å
142	S	93.6	Very high	95.2	Very high	43 Å²	43	38 Å²	38	30%	0.301	22%	0.217	S	C	.	.	S	Bend	trans	-63.8	144.6	179.9	72.5	0	0	0	0	111.7	D138 R139 M144 R149	D138-S142 PolarHBondContact O-N 2.67Å; D138-S142 VanDerWaalsContact O-N 3.15Å; R139-S142 WeakPolarHBondContact O-CB 3.33Å; R139-S142 PolarHBondContact O-N 3.32Å; R139-S142 VanDerWaalsContact O-N 3.17Å; R139-S142 PolarHBondContact O-OG 2.64Å; S142-M144 PolarHBondContact O-N 3.07Å; S142-R149 PolarHBondContact O-NH1 3.01Å; S142-R149 PolarHBondContact O-NH2 2.75Å; S142-R149 PolarHBondContact OG-NH1 3.07Å; S142-R149 PolarHBondContact OG-NH2 3.36Å
143	T	92.1	Very high	95.2	Very high	128 Å²	128	37.9 Å²	37.9	79%	0.785	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-67.9	127.4	179.6	52	0	0	0	0	111.5	S145 R149	T143-S145 PolarHBondContact O-N 2.76Å; T143-R149 PolarHBondContact O-NH2 3.37Å; T143-R149 VanDerWaalsContact O-NH2 3.12Å
144	M	92.9	Very high	95.2	Very high	34 Å²	34	37.6 Å²	37.6	17%	0.167	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-68.5	119.7	175.6	-71	179	72.6	0	0	111.7	K69 V71 E96 S142 R149	K69-M144 HydrophobicContact CB-CE 3.58Å; K69-M144 HydrophobicContact CB-SD 3.76Å; K69-M144 HydrophobicContact CD-CB 3.68Å; K69-M144 HydrophobicContact CD-CE 3.88Å; K69-M144 HydrophobicContact CD-CG 4.26Å; K69-M144 HydrophobicContact CD-SD 3.65Å; K69-M144 HydrophobicContact CG-CE 4.2Å; K69-M144 HydrophobicContact CG-SD 4.33Å; K69-M144 PolarHBondContact NZ-O 3.2Å; V71-M144 HydrophobicContact CG2-CE 4.05Å; V71-M144 HydrophobicContact CG2-SD 3.93Å; E96-M144 WeakPolarHBondContact OE2-CA 3.47Å; S142-M144 PolarHBondContact O-N 3.07Å; M144-R149 HydrophobicContact CE-CB 3.51Å; M144-R149 HydrophobicContact CG-CB 4.44Å; M144-R149 HydrophobicContact SD-CB 4.48Å
145	S	91	Very high	95.2	Very high	99 Å²	99	33 Å²	33	69%	0.692	19%	0.19	S	C	*	.			trans	-85.1	-21.9	176.5	56.9	0	0	0	0	113.5	E96 T143	E96-S145 WeakPolarHBondContact OE1-CB 3.45Å; E96-S145 PolarHBondContact OE1-N 3.11Å; E96-S145 PolarHBondContact OE1-OG 3.44Å; T143-S145 PolarHBondContact O-N 2.76Å
146	A	93.1	Very high	95.3	Very high	12 Å²	12	34 Å²	34	10%	0.099	19%	0.194	C	C	.	.	S	Bend	trans	-124.1	168.4	-179.1	0	0	0	0	0	112.7	E96	E96-A146 HydrophobicContact CB-CB 3.87Å
147	P	93.4	Very high	95.3	Very high	45 Å²	45	33.9 Å²	33.9	29%	0.292	19%	0.193	S	C	.	.	S	Bend	trans	-64.6	-36.9	173.2	-23.6	34.8	0	0	0	113.5	K69 L70	K69-P147 CarbonylContact C-O 3.52Å; K69-P147 VanDerWaalsContact CA-O 3.27Å; K69-P147 WeakPolarHBondContact CA-O 3.22Å; L70-P147 PolarHBondContact N-O 3.26Å
148	V	95.3	Very high	95.4	Very high	17 Å²	17	32.8 Å²	32.8	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.7	176.7	-177.9	0	0	0	0	109.4	L70 N94 I95 E96 M150 L275	L70-V148 HydrophobicContact CB-CG1 4.47Å; L70-V148 HydrophobicContact CB-CG2 4.22Å; L70-V148 HydrophobicContact CD2-CG1 4.06Å; L70-V148 HydrophobicContact CD2-CG2 4.18Å; L70-V148 CarbonylContact O-C 3.58Å; L70-V148 WeakPolarHBondContact O-CA 3.37Å; N94-V148 PolarHBondContact O-N 3.06Å; I95-V148 WeakPolarHBondContact CA-O 3.38Å; I95-V148 HydrophobicContact CG1-CB 4.22Å; I95-V148 HydrophobicContact CG1-CG1 4.45Å; I95-V148 HydrophobicContact CG2-CG1 4.36Å; E96-V148 PolarHBondContact N-O 3.39Å; V148-M150 HydrophobicContact CG1-CE 4.36Å; V148-M150 HydrophobicContact CG1-CG 4.34Å; V148-L275 HydrophobicContact CG1-CD2 4.22Å; V148-L275 HydrophobicContact CG2-CD2 4.5Å
149	R	96.5	Very high	95.6	Very high	7 Å²	7	29 Å²	29	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.5	168	167.5	-178.3	-72.9	-175.7	-8.3	109.8	L70 V71 V72 E96 L98 S142 T143 M144 M151	L70-R149 PolarHBondContact O-N 2.83Å; V71-R149 WeakPolarHBondContact CA-O 3.45Å; V72-R149 PolarHBondContact N-O 3.48Å; E96-R149 CarbonylContact O-C 3.59Å; E96-R149 VanDerWaalsContact O-CA 3.29Å; E96-R149 WeakPolarHBondContact O-CA 3.48Å; E96-R149 IonicContact OE1-NH2 3.83Å; E96-R149 IonicContact OE2-CZ 2.86Å; E96-R149 IonicContact OE2-NE 3.18Å; E96-R149 PolarHBondContact OE2-NE 3.22Å; E96-R149 IonicContact OE2-NH2 2.83Å; E96-R149 PolarHBondContact OE2-NH2 3.22Å; L98-R149 HydrophobicContact CD1-CG 4.24Å; L98-R149 HydrophobicContact CG-CG 4.36Å; S142-R149 PolarHBondContact O-NH1 3.01Å; S142-R149 PolarHBondContact O-NH2 2.75Å; S142-R149 PolarHBondContact OG-NH1 3.07Å; S142-R149 PolarHBondContact OG-NH2 3.36Å; T143-R149 PolarHBondContact O-NH2 3.37Å; T143-R149 VanDerWaalsContact O-NH2 3.12Å; M144-R149 HydrophobicContact CE-CB 3.51Å; M144-R149 HydrophobicContact CG-CB 4.44Å; M144-R149 HydrophobicContact SD-CB 4.48Å; R149-M151 HydrophobicContact CG-CG 3.71Å; R149-M151 HydrophobicContact CG-SD 4.29Å
150	M	97.4	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.5	169.8	-60.7	-173.2	173	0	0	109.5	V72 L86 F89 I95 E96 V97 L98 V148 I274 L275	V72-M150 HydrophobicContact CB-CG 4.26Å; V72-M150 CarbonylContact O-C 3.51Å; V72-M150 VanDerWaalsContact O-CA 3.32Å; V72-M150 WeakPolarHBondContact O-CA 3.49Å; L86-M150 HydrophobicContact CD2-CB 3.44Å; L86-M150 VanDerWaalsContact CD2-CB 3.44Å; L86-M150 HydrophobicContact CD2-SD 4.47Å; F89-M150 HydrophobicContact CB-CE 4.09Å; F89-M150 HydrophobicContact CB-SD 3.55Å; F89-M150 VanDerWaalsContact CB-SD 3.55Å; F89-M150 HydrophobicContact CD1-CE 3.86Å; F89-M150 HydrophobicContact CD1-SD 4.37Å; F89-M150 HydrophobicContact CD2-CE 4.09Å; F89-M150 HydrophobicContact CD2-SD 3.78Å; F89-M150 HydrophobicContact CE1-CE 4.34Å; F89-M150 HydrophobicContact CG-CE 3.74Å; F89-M150 HydrophobicContact CG-SD 3.64Å; I95-M150 HydrophobicContact CD1-CE 4.13Å; I95-M150 HydrophobicContact CG2-CE 4.34Å; I95-M150 HydrophobicContact CG2-CG 3.9Å; I95-M150 HydrophobicContact CG2-SD 4.03Å; E96-M150 PolarHBondContact O-N 3.11Å; V97-M150 HydrophobicContact CG2-CB 4.5Å; L98-M150 PolarHBondContact N-O 3.19Å; V148-M150 HydrophobicContact CG1-CE 4.36Å; V148-M150 HydrophobicContact CG1-CG 4.34Å; M150-I274 HydrophobicContact CE-CG2 3.39Å; M150-L275 HydrophobicContact CE-CD2 3.62Å
151	M	97.7	Very high	96	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.02	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.1	-179	-52.8	-174	57.9	0	0	110.4	V71 V72 F73 I74 L98 R139 H140 R149 R153	V71-M151 HydrophobicContact CG1-SD 4.24Å; V72-M151 PolarHBondContact O-N 2.92Å; F73-M151 HydrophobicContact CD1-CB 3.93Å; F73-M151 HydrophobicContact CD1-CG 4.27Å; F73-M151 HydrophobicContact CD1-SD 4.3Å; F73-M151 HydrophobicContact CE1-CB 4.33Å; F73-M151 HydrophobicContact CE1-CG 4.29Å; F73-M151 HydrophobicContact CE1-SD 3.73Å; I74-M151 PolarHBondContact N-O 2.84Å; L98-M151 HydrophobicContact CB-CB 4.47Å; L98-M151 HydrophobicContact CB-CG 4.12Å; L98-M151 HydrophobicContact CD1-CE 4.12Å; L98-M151 HydrophobicContact CD1-CG 4.31Å; L98-M151 HydrophobicContact CD1-SD 4.41Å; L98-M151 CarbonylContact O-C 3.48Å; L98-M151 WeakPolarHBondContact O-CA 3.25Å; R139-M151 HydrophobicContact CB-CE 3.79Å; H140-M151 VanDerWaalsContact CE1-CE 3.48Å; H140-M151 WeakPolarHBondContact CE1-CE 3.5Å; R149-M151 HydrophobicContact CG-CG 3.71Å; R149-M151 HydrophobicContact CG-SD 4.29Å; M151-R153 PolarHBondContact O-N 3.14Å
152	E	98	Very high	96.2	Very high	12 Å²	12	24 Å²	24	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	113.6	169.3	-158.2	174	-174.2	0	0	108.9	K82 T83 L86 L98 T99 E100	K82-E152 HydrophobicContact CB-CG 3.88Å; K82-E152 HydrophobicContact CD-CG 4.13Å; T83-E152 PolarHBondContact N-OE1 2.91Å; T83-E152 PolarHBondContact OG1-OE1 2.79Å; L86-E152 HydrophobicContact CD1-CB 3.42Å; L86-E152 VanDerWaalsContact CD1-CB 3.42Å; L86-E152 HydrophobicContact CD1-CG 3.84Å; L98-E152 PolarHBondContact O-N 3.12Å; T99-E152 WeakPolarHBondContact CA-OE2 3.31Å; T99-E152 WeakPolarHBondContact CB-OE2 3.22Å; E100-E152 HydrophobicContact CG-CB 3.89Å; E100-E152 HydrophobicContact CG-CG 3.77Å; E100-E152 PolarHBondContact N-OE2 3.2Å
153	R	97.9	Very high	96.5	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.026	13%	0.127	C	C	.	.	S	Bend	trans	56.8	-174.5	-171.8	-57.5	-165.8	-165.3	-95.9	0.1	113.6	I74 E75 G76 K82 E100 M136 M151 S157 F162 Y235	I74-R153 PolarHBondContact O-N 3.44Å; E75-R153 WeakPolarHBondContact OE1-CA 3.37Å; G76-R153 VanDerWaalsContact O-CZ 3.29Å; G76-R153 PolarHBondContact O-NH1 2.79Å; G76-R153 PolarHBondContact O-NH2 2.85Å; K82-R153 HydrophobicContact CD-CG 4.19Å; K82-R153 VanDerWaalsContact NZ-NH2 3.16Å; E100-R153 VanDerWaalsContact CD-CD 3.43Å; E100-R153 VanDerWaalsContact CD-NE 3.3Å; E100-R153 HydrophobicContact CG-CB 4.4Å; E100-R153 HydrophobicContact CG-CG 4.28Å; E100-R153 WeakPolarHBondContact OE1-CD 3.48Å; E100-R153 IonicContact OE1-NE 3.8Å; E100-R153 PolarHBondContact OE1-NE 3.13Å; E100-R153 WeakPolarHBondContact OE2-CD 3.45Å; E100-R153 IonicContact OE2-CZ 2.75Å; E100-R153 IonicContact OE2-NE 3.7Å; E100-R153 PolarHBondContact OE2-NE 2.84Å; M136-R153 HydrophobicContact CE-CB 3.82Å; M151-R153 PolarHBondContact O-N 3.14Å; R153-S157 WeakPolarHBondContact CB-OG 3.48Å; R153-F162 VanDerWaalsContact CZ-CZ 3.42Å; R153-F162 VanDerWaalsContact NH1-CE2 3.34Å; R153-F162 VanDerWaalsContact NH1-CZ 3.32Å; R153-Y235 PolarHBondContact NH1-OH 3.24Å
154	S	97.3	Very high	96.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.			trans	-149.5	173.4	-175.4	64.6	0	0	0	0	111.1	F73 E75 Y156 S157 A158	F73-S154 VanDerWaalsContact CE2-CB 3.48Å; E75-S154 WeakPolarHBondContact OE1-CB 3.4Å; E75-S154 PolarHBondContact OE1-N 2.98Å; E75-S154 VanDerWaalsContact OE1-N 3.14Å; E75-S154 PolarHBondContact OE1-OG 2.72Å; S154-Y156 PolarHBondContact O-N 3.49Å; S154-Y156 WeakPolarHBondContact OG-CB 3.44Å; S154-Y156 PolarHBondContact OG-N 2.89Å; S154-S157 PolarHBondContact N-OG 3.01Å; S154-S157 VanDerWaalsContact N-OG 3.12Å; S154-S157 PolarHBondContact O-N 3.34Å; S154-S157 PolarHBondContact O-OG 3.25Å; S154-S157 PolarHBondContact OG-N 2.66Å; S154-S157 PolarHBondContact OG-OG 2.73Å; S154-A158 PolarHBondContact O-N 3.03Å
155	I	97	Very high	97.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.9	-25.4	171.4	-162.9	173.3	0	0	0	111.2	M136 L137 H140 A158 K159 F184 I187 I193	M136-I155 HydrophobicContact CB-CB 4.47Å; L137-I155 HydrophobicContact CB-CD1 4.48Å; H140-I155 PolarHBondContact NE2-N 2.69Å; I155-A158 WeakPolarHBondContact O-CB 3.39Å; I155-A158 PolarHBondContact O-N 3.13Å; I155-K159 PolarHBondContact O-N 3.14Å; I155-F184 HydrophobicContact CG1-CD2 4.1Å; I155-F184 HydrophobicContact CG1-CE2 4.28Å; I155-F184 HydrophobicContact CG2-CE2 4.25Å; I155-F184 WeakPolarHBondContact O-CE2 3.26Å; I155-I187 HydrophobicContact CD1-CB 4.26Å; I155-I187 HydrophobicContact CD1-CD1 3.87Å; I155-I187 HydrophobicContact CD1-CG2 3.57Å; I155-I193 HydrophobicContact CG2-CG2 4.21Å
156	Y	98.3	Very high	97.4	Very high	27 Å²	27	10.8 Å²	10.8	11%	0.106	6%	0.055	C	C	.	.	H	α-helix	trans	-66	-50	176.4	-57.9	-82.5	0	0	0	111.1	F73 S154 A158 K159 Y160 F184 T188 I193 P248	F73-Y156 AromaticContact CE2-CD2 3.89Å; F73-Y156 HydrophobicContact CE2-CD2 3.89Å; F73-Y156 AromaticContact CE2-CE2 3.92Å; F73-Y156 HydrophobicContact CE2-CE2 3.92Å; S154-Y156 PolarHBondContact O-N 3.49Å; S154-Y156 WeakPolarHBondContact OG-CB 3.44Å; S154-Y156 PolarHBondContact OG-N 2.89Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.39Å; Y156-K159 PolarHBondContact O-N 3.05Å; Y156-K159 VanDerWaalsContact O-N 3.11Å; Y156-Y160 AromaticContact CD1-CE2 3.83Å; Y156-Y160 HydrophobicContact CD1-CE2 3.83Å; Y156-Y160 HydrophobicContact CG-CE2 4.47Å; Y156-Y160 WeakPolarHBondContact O-CB 3.4Å; Y156-Y160 PolarHBondContact O-N 2.92Å; Y156-F184 HydrophobicContact CD1-CE2 4.23Å; Y156-F184 AromaticContact CD1-CZ 3.76Å; Y156-F184 HydrophobicContact CD1-CZ 3.76Å; Y156-F184 HydrophobicContact CE1-CZ 4.24Å; Y156-T188 HydrophobicContact CE1-CG2 4.11Å; Y156-I193 HydrophobicContact CE2-CG2 3.83Å; Y156-P248 HydrophobicContact CD1-CG 4.26Å; Y156-P248 HydrophobicContact CD2-CG 4.03Å; Y156-P248 HydrophobicContact CE1-CB 4.22Å; Y156-P248 HydrophobicContact CE1-CG 4.12Å; Y156-P248 HydrophobicContact CE2-CB 4.28Å; Y156-P248 HydrophobicContact CE2-CG 3.87Å; Y156-P248 HydrophobicContact CG-CG 4.23Å
157	S	98.1	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.5	-29.8	177.1	44.8	0	0	0	0	113.1	E75 R153 S154 K159 I161 F162 Y235	E75-S157 VanDerWaalsContact CD-OG 3.25Å; E75-S157 WeakPolarHBondContact OE1-CB 3.39Å; E75-S157 PolarHBondContact OE1-OG 3.14Å; E75-S157 WeakPolarHBondContact OE2-CB 3.27Å; E75-S157 PolarHBondContact OE2-OG 2.81Å; R153-S157 WeakPolarHBondContact CB-OG 3.48Å; S154-S157 PolarHBondContact N-OG 3.01Å; S154-S157 VanDerWaalsContact N-OG 3.12Å; S154-S157 PolarHBondContact O-N 3.34Å; S154-S157 PolarHBondContact O-OG 3.25Å; S154-S157 PolarHBondContact OG-N 2.66Å; S154-S157 PolarHBondContact OG-OG 2.73Å; S157-K159 VanDerWaalsContact C-N 3.28Å; S157-K159 PolarHBondContact O-N 2.89Å; S157-I161 VanDerWaalsContact O-CB 3.25Å; S157-I161 WeakPolarHBondContact O-CB 3.46Å; S157-I161 PolarHBondContact O-N 2.82Å; S157-I161 VanDerWaalsContact O-N 3.11Å; S157-F162 WeakPolarHBondContact O-CD2 3.12Å; S157-F162 PolarHBondContact O-N 2.79Å; S157-Y235 WeakPolarHBondContact CB-OH 3.48Å
158	A	97.8	Very high	97.9	Very high	1 Å²	1	18 Å²	18	1%	0.008	8%	0.076	C	C	.	.	I	π-helix	trans	-55.6	-44.2	169.6	0	0	0	0	0	111.6	V132 S154 I155 Y156 V163	V132-A158 HydrophobicContact CG1-CB 3.86Å; S154-A158 PolarHBondContact O-N 3.03Å; I155-A158 WeakPolarHBondContact O-CB 3.39Å; I155-A158 PolarHBondContact O-N 3.13Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.39Å; A158-V163 WeakPolarHBondContact O-CG2 3.46Å; A158-V163 PolarHBondContact O-N 3.29Å
159	K	98.2	Very high	98	Very high	10 Å²	10	19.6 Å²	19.6	4%	0.043	9%	0.088	C	C	.	.	I	π-helix	trans	-80.4	-59.5	178	179	59.9	175.2	90.6	0	113.4	I155 Y156 S157 I161 V163 E164 S181 F184	I155-K159 PolarHBondContact O-N 3.14Å; Y156-K159 PolarHBondContact O-N 3.05Å; Y156-K159 VanDerWaalsContact O-N 3.11Å; S157-K159 VanDerWaalsContact C-N 3.28Å; S157-K159 PolarHBondContact O-N 2.89Å; K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 3.22Å; K159-V163 HydrophobicContact CD-CB 4.06Å; K159-V163 HydrophobicContact CD-CG1 3.91Å; K159-V163 WeakPolarHBondContact O-CB 3.39Å; K159-E164 PolarHBondContact O-N 2.91Å; K159-E164 VanDerWaalsContact O-N 3.07Å; K159-S181 WeakPolarHBondContact CE-OG 3.43Å; K159-S181 PolarHBondContact NZ-OG 3.03Å; K159-S181 VanDerWaalsContact NZ-OG 3.08Å; K159-F184 HydrophobicContact CB-CB 4.4Å; K159-F184 HydrophobicContact CB-CD1 4.2Å; K159-F184 HydrophobicContact CB-CD2 3.58Å; K159-F184 HydrophobicContact CB-CE1 4.39Å; K159-F184 HydrophobicContact CB-CE2 3.81Å; K159-F184 HydrophobicContact CB-CG 3.78Å; K159-F184 HydrophobicContact CB-CZ 4.2Å; K159-F184 HydrophobicContact CD-CB 4.35Å; K159-F184 HydrophobicContact CD-CG 4.41Å; K159-F184 HydrophobicContact CG-CB 4.23Å; K159-F184 HydrophobicContact CG-CD1 3.81Å; K159-F184 HydrophobicContact CG-CD2 4.11Å; K159-F184 HydrophobicContact CG-CE1 4.17Å; K159-F184 HydrophobicContact CG-CE2 4.45Å; K159-F184 HydrophobicContact CG-CG 3.77Å; K159-F184 HydrophobicContact CG-CZ 4.46Å
160	Y	98.6	Very high	98	Very high	33 Å²	33	22.3 Å²	22.3	13%	0.129	12%	0.118	C	C	.	.	I	π-helix	trans	-73.4	-20	-167.7	-61.2	-24.6	0	0	0	113.7	Y156 E164 F184 W238 F245	Y156-Y160 AromaticContact CD1-CE2 3.83Å; Y156-Y160 HydrophobicContact CD1-CE2 3.83Å; Y156-Y160 HydrophobicContact CG-CE2 4.47Å; Y156-Y160 WeakPolarHBondContact O-CB 3.4Å; Y156-Y160 PolarHBondContact O-N 2.92Å; Y160-E164 VanDerWaalsContact O-CB 3.27Å; Y160-E164 WeakPolarHBondContact O-CB 3.45Å; Y160-F184 HydrophobicContact CE1-CD1 4.49Å; Y160-F184 AromaticContact CE1-CE1 3.62Å; Y160-F184 HydrophobicContact CE1-CE1 3.62Å; Y160-F184 AromaticContact CE1-CZ 3.86Å; Y160-F184 HydrophobicContact CE1-CZ 3.86Å; Y160-F184 HydrophobicContact CE2-CZ 4.27Å; Y160-F184 AromaticContact CZ-CE1 3.67Å; Y160-F184 AromaticContact CZ-CZ 3.65Å; Y160-F184 WeakPolarHBondContact OH-CE1 3.45Å; Y160-W238 HydrophobicContact CD2-CD2 4.3Å; Y160-W238 AromaticContact CD2-CE2 3.68Å; Y160-W238 AromaticContact CD2-CZ2 3.85Å; Y160-W238 HydrophobicContact CD2-CZ2 3.85Å; Y160-W238 AromaticContact CD2-NE1 3.71Å; Y160-W238 HydrophobicContact CE2-CZ2 4.42Å; Y160-F245 HydrophobicContact CD1-CB 4.05Å; Y160-F245 AromaticContact CD1-CD1 3.62Å; Y160-F245 HydrophobicContact CD1-CD1 3.62Å; Y160-F245 AromaticContact CD1-CD2 3.69Å; Y160-F245 HydrophobicContact CD1-CD2 3.69Å; Y160-F245 AromaticContact CD1-CE1 3.92Å; Y160-F245 HydrophobicContact CD1-CE1 3.92Å; Y160-F245 AromaticContact CD1-CE2 3.98Å; Y160-F245 HydrophobicContact CD1-CE2 3.98Å; Y160-F245 AromaticContact CD1-CG 3.5Å; Y160-F245 HydrophobicContact CD1-CG 3.5Å; Y160-F245 VanDerWaalsContact CD1-CG 3.5Å; Y160-F245 HydrophobicContact CD1-CZ 4.09Å; Y160-F245 HydrophobicContact CD2-CB 3.79Å; Y160-F245 HydrophobicContact CD2-CD2 4.21Å; Y160-F245 HydrophobicContact CD2-CG 4.06Å; Y160-F245 HydrophobicContact CE1-CB 4.07Å; Y160-F245 AromaticContact CE1-CD1 3.67Å; Y160-F245 HydrophobicContact CE1-CD1 3.67Å; Y160-F245 HydrophobicContact CE1-CD2 4.46Å; Y160-F245 HydrophobicContact CE1-CE1 4.22Å; Y160-F245 AromaticContact CE1-CG 3.81Å; Y160-F245 HydrophobicContact CE1-CG 3.81Å; Y160-F245 HydrophobicContact CE2-CB 3.76Å; Y160-F245 HydrophobicContact CE2-CG 4.29Å; Y160-F245 HydrophobicContact CG-CB 3.94Å; Y160-F245 HydrophobicContact CG-CD1 4.27Å; Y160-F245 AromaticContact CG-CD2 3.56Å; Y160-F245 HydrophobicContact CG-CD2 3.56Å; Y160-F245 HydrophobicContact CG-CE2 4.09Å; Y160-F245 AromaticContact CG-CG 3.65Å; Y160-F245 HydrophobicContact CG-CG 3.65Å
161	I	98.7	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-108.1	-63.1	178.1	-52.1	-61.1	0	0	0	110.1	S157 K159 N165 I231 L234 Y235 W238	S157-I161 VanDerWaalsContact O-CB 3.25Å; S157-I161 WeakPolarHBondContact O-CB 3.46Å; S157-I161 PolarHBondContact O-N 2.82Å; S157-I161 VanDerWaalsContact O-N 3.11Å; K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 3.22Å; I161-N165 WeakPolarHBondContact O-CB 3.47Å; I161-N165 PolarHBondContact O-N 3.35Å; I161-I231 HydrophobicContact CG2-CD1 3.83Å; I161-I231 HydrophobicContact CG2-CG2 3.79Å; I161-L234 VanDerWaalsContact CD1-C 3.5Å; I161-L234 HydrophobicContact CD1-CB 3.68Å; I161-L234 HydrophobicContact CG2-CB 4.41Å; I161-L234 WeakPolarHBondContact O-CD1 3.41Å; I161-Y235 HydrophobicContact CB-CE2 4.37Å; I161-Y235 HydrophobicContact CD1-CD1 3.94Å; I161-Y235 HydrophobicContact CD1-CD2 4.07Å; I161-Y235 HydrophobicContact CD1-CE1 4.19Å; I161-Y235 HydrophobicContact CD1-CE2 4.32Å; I161-Y235 HydrophobicContact CD1-CG 3.88Å; I161-Y235 HydrophobicContact CG1-CD1 4.18Å; I161-Y235 HydrophobicContact CG1-CD2 4.22Å; I161-Y235 HydrophobicContact CG1-CE1 3.9Å; I161-Y235 HydrophobicContact CG1-CE2 3.95Å; I161-Y235 HydrophobicContact CG1-CG 4.33Å; I161-Y235 HydrophobicContact CG2-CD2 4.04Å; I161-Y235 HydrophobicContact CG2-CE2 3.76Å; I161-W238 HydrophobicContact CD1-CE3 3.89Å; I161-W238 HydrophobicContact CG1-CE3 4.08Å; I161-W238 HydrophobicContact CG1-CZ3 4.28Å
162	F	98.3	Very high	98.1	Very high	24 Å²	24	26.1 Å²	26.1	11%	0.105	13%	0.134	C	C	.	.	I	π-helix	trans	-79.5	-46.4	-167.6	-67	-73.2	0	0	0	114.4	I78 R153 S157 N165 L166 I231	I78-F162 HydrophobicContact CD1-CE1 4.44Å; R153-F162 VanDerWaalsContact CZ-CZ 3.42Å; R153-F162 VanDerWaalsContact NH1-CE2 3.34Å; R153-F162 VanDerWaalsContact NH1-CZ 3.32Å; S157-F162 WeakPolarHBondContact O-CD2 3.12Å; S157-F162 PolarHBondContact O-N 2.79Å; F162-N165 PolarHBondContact O-N 3.35Å; F162-L166 PolarHBondContact O-N 2.74Å; F162-L166 VanDerWaalsContact O-N 3.14Å; F162-I231 HydrophobicContact CD1-CD1 4Å; F162-I231 HydrophobicContact CE1-CD1 4.04Å
163	V	98.5	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	I	π-helix	trans	-64.6	-43.8	174	170.8	0	0	0	0	110.4	Q129 A158 K159 N165 L166 F167 M172 F177 L180	Q129-V163 HydrophobicContact CB-CG2 3.72Å; Q129-V163 HydrophobicContact CG-CG2 3.76Å; A158-V163 WeakPolarHBondContact O-CG2 3.46Å; A158-V163 PolarHBondContact O-N 3.29Å; K159-V163 HydrophobicContact CD-CB 4.06Å; K159-V163 HydrophobicContact CD-CG1 3.91Å; K159-V163 WeakPolarHBondContact O-CB 3.39Å; V163-N165 VanDerWaalsContact C-N 3.35Å; V163-N165 PolarHBondContact O-N 3.21Å; V163-L166 PolarHBondContact O-N 2.91Å; V163-F167 PolarHBondContact O-N 3.39Å; V163-M172 HydrophobicContact CG1-CE 4.45Å; V163-M172 HydrophobicContact CG1-SD 3.97Å; V163-F177 HydrophobicContact CG1-CD2 3.73Å; V163-F177 HydrophobicContact CG1-CE2 4.06Å; V163-L180 HydrophobicContact CG1-CB 4.26Å; V163-L180 HydrophobicContact CG1-CD1 4.18Å; V163-L180 HydrophobicContact CG2-CD1 4.02Å
164	E	98.5	Very high	98.1	Very high	17 Å²	17	35.5 Å²	35.5	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-44.5	176.1	-170.8	64.8	-166.8	0	0	112.3	K159 Y160 L166 F167 R168 F177 L234 F245	K159-E164 PolarHBondContact O-N 2.91Å; K159-E164 VanDerWaalsContact O-N 3.07Å; Y160-E164 VanDerWaalsContact O-CB 3.27Å; Y160-E164 WeakPolarHBondContact O-CB 3.45Å; E164-L166 PolarHBondContact O-N 2.97Å; E164-F167 PolarHBondContact O-N 2.98Å; E164-R168 HydrophobicContact CG-CG 4.35Å; E164-R168 WeakPolarHBondContact O-CB 3.28Å; E164-R168 WeakPolarHBondContact O-CG 3.44Å; E164-R168 PolarHBondContact O-N 2.66Å; E164-R168 IonicContact OE1-CZ 3.86Å; E164-R168 VanDerWaalsContact OE1-CZ 3.29Å; E164-R168 IonicContact OE1-NE 3.83Å; E164-R168 PolarHBondContact OE1-NE 3.18Å; E164-R168 IonicContact OE1-NH2 3.97Å; E164-R168 PolarHBondContact OE1-NH2 3.12Å; E164-F177 WeakPolarHBondContact OE2-CE2 3.46Å; E164-F177 WeakPolarHBondContact OE2-CZ 3.49Å; E164-L234 HydrophobicContact CG-CD2 3.89Å; E164-F245 HydrophobicContact CG-CE2 4.27Å; E164-F245 HydrophobicContact CG-CZ 4.21Å
165	N	98.5	Very high	98.1	Very high	9 Å²	9	40 Å²	40	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-44.4	177.2	-176	57	0	0	0	112.5	I161 F162 V163 F167 R168 S169 Y227 I231 L234	I161-N165 WeakPolarHBondContact O-CB 3.47Å; I161-N165 PolarHBondContact O-N 3.35Å; F162-N165 PolarHBondContact O-N 3.35Å; V163-N165 VanDerWaalsContact C-N 3.35Å; V163-N165 PolarHBondContact O-N 3.21Å; N165-F167 VanDerWaalsContact C-N 3.28Å; N165-F167 PolarHBondContact O-N 3.28Å; N165-R168 PolarHBondContact O-N 2.8Å; N165-S169 VanDerWaalsContact O-CB 3.29Å; N165-S169 WeakPolarHBondContact O-CB 3.47Å; N165-S169 PolarHBondContact O-N 3.3Å; N165-S169 PolarHBondContact O-OG 3.24Å; N165-Y227 WeakPolarHBondContact ND2-CE2 3.41Å; N165-I231 HydrophobicContact CB-CD1 3.85Å; N165-L234 HydrophobicContact CB-CD1 3.58Å
166	L	98.4	Very high	98.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-39.6	177.7	-75.3	167.1	0	0	0	111.5	P121 Q129 F162 V163 E164 S169 K171 M172	P121-L166 HydrophobicContact CB-CD2 3.92Å; Q129-L166 HydrophobicContact CG-CD1 3.53Å; F162-L166 PolarHBondContact O-N 2.74Å; F162-L166 VanDerWaalsContact O-N 3.14Å; V163-L166 PolarHBondContact O-N 2.91Å; E164-L166 PolarHBondContact O-N 2.97Å; L166-S169 PolarHBondContact O-OG 3.41Å; L166-K171 HydrophobicContact CD2-CB 4.07Å; L166-K171 CarbonylContact O-C 3.59Å; L166-K171 WeakPolarHBondContact O-CA 3.49Å; L166-K171 PolarHBondContact O-N 3.12Å; L166-M172 HydrophobicContact CB-CB 3.99Å; L166-M172 HydrophobicContact CB-CE 3.93Å; L166-M172 HydrophobicContact CD1-CE 3.76Å; L166-M172 PolarHBondContact O-N 3.11Å; L166-M172 VanDerWaalsContact O-N 3.08Å
167	F	98.5	Very high	98.2	Very high	71 Å²	71	42.3 Å²	42.3	31%	0.311	22%	0.224	S	C	.	.	H	α-helix	trans	-68.4	-51.9	176.5	-178.3	-116.6	0	0	0	112.3	V163 E164 N165 S169 G170 M172 E174 F177	V163-F167 PolarHBondContact O-N 3.39Å; E164-F167 PolarHBondContact O-N 2.98Å; N165-F167 VanDerWaalsContact C-N 3.28Å; N165-F167 PolarHBondContact O-N 3.28Å; F167-S169 PolarHBondContact O-N 3.24Å; F167-G170 PolarHBondContact O-N 3.41Å; F167-M172 HydrophobicContact CB-CB 4.48Å; F167-E174 HydrophobicContact CE2-CB 4.28Å; F167-E174 HydrophobicContact CE2-CG 4.48Å; F167-F177 HydrophobicContact CB-CB 4.33Å; F167-F177 HydrophobicContact CB-CD2 3.41Å; F167-F177 VanDerWaalsContact CB-CD2 3.41Å; F167-F177 HydrophobicContact CB-CE2 3.81Å; F167-F177 HydrophobicContact CB-CG 4Å; F167-F177 HydrophobicContact CD1-CD1 4.16Å; F167-F177 AromaticContact CD1-CD2 3.94Å; F167-F177 HydrophobicContact CD1-CD2 3.94Å; F167-F177 HydrophobicContact CD1-CE1 4.12Å; F167-F177 AromaticContact CD1-CE2 3.86Å; F167-F177 HydrophobicContact CD1-CE2 3.86Å; F167-F177 HydrophobicContact CD1-CG 4.05Å; F167-F177 AromaticContact CD1-CZ 3.95Å; F167-F177 HydrophobicContact CD1-CZ 3.95Å; F167-F177 HydrophobicContact CD2-CB 3.62Å; F167-F177 HydrophobicContact CD2-CD1 4.26Å; F167-F177 HydrophobicContact CD2-CD2 4.07Å; F167-F177 AromaticContact CD2-CG 3.74Å; F167-F177 HydrophobicContact CD2-CG 3.74Å; F167-F177 HydrophobicContact CE1-CD1 4.21Å; F167-F177 HydrophobicContact CE1-CE1 4.17Å; F167-F177 HydrophobicContact CE1-CG 4.49Å; F167-F177 HydrophobicContact CE1-CZ 4.39Å; F167-F177 HydrophobicContact CE2-CB 4.11Å; F167-F177 HydrophobicContact CE2-CD1 4.33Å; F167-F177 HydrophobicContact CE2-CG 4.22Å; F167-F177 HydrophobicContact CG-CB 4.01Å; F167-F177 HydrophobicContact CG-CD1 4.18Å; F167-F177 AromaticContact CG-CD2 3.54Å; F167-F177 HydrophobicContact CG-CD2 3.54Å; F167-F177 AromaticContact CG-CE2 3.92Å; F167-F177 HydrophobicContact CG-CE2 3.92Å; F167-F177 AromaticContact CG-CG 3.65Å; F167-F177 HydrophobicContact CG-CG 3.65Å; F167-F177 HydrophobicContact CG-CZ 4.4Å; F167-F177 HydrophobicContact CZ-CD1 4.3Å
168	R	98	Very high	98.2	Very high	137 Å²	137	44.1 Å²	44.1	52%	0.517	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-29.4	-179.8	-71.2	-173.7	-176	-162.6	1.8	113.7	E164 N165 G170	E164-R168 HydrophobicContact CG-CG 4.35Å; E164-R168 WeakPolarHBondContact O-CB 3.28Å; E164-R168 WeakPolarHBondContact O-CG 3.44Å; E164-R168 PolarHBondContact O-N 2.66Å; E164-R168 IonicContact OE1-CZ 3.86Å; E164-R168 VanDerWaalsContact OE1-CZ 3.29Å; E164-R168 IonicContact OE1-NE 3.83Å; E164-R168 PolarHBondContact OE1-NE 3.18Å; E164-R168 IonicContact OE1-NH2 3.97Å; E164-R168 PolarHBondContact OE1-NH2 3.12Å; N165-R168 PolarHBondContact O-N 2.8Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 2.94Å
169	S	97.1	Very high	98.3	Very high	51 Å²	51	47.1 Å²	47.1	36%	0.357	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	5.1	176.3	59.8	0	0	0	0	113.9	N165 L166 F167 K171	N165-S169 VanDerWaalsContact O-CB 3.29Å; N165-S169 WeakPolarHBondContact O-CB 3.47Å; N165-S169 PolarHBondContact O-N 3.3Å; N165-S169 PolarHBondContact O-OG 3.24Å; L166-S169 PolarHBondContact O-OG 3.41Å; F167-S169 PolarHBondContact O-N 3.24Å; S169-K171 PolarHBondContact O-N 2.93Å; S169-K171 WeakPolarHBondContact OG-CD 3.45Å
170	G	97.8	Very high	98.3	Very high	64 Å²	64	46.7 Å²	46.7	66%	0.66	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	12.8	179.9	0	0	0	0	0	114.3	F167 R168	F167-G170 PolarHBondContact O-N 3.41Å; R168-G170 VanDerWaalsContact C-N 3.26Å; R168-G170 PolarHBondContact O-N 2.94Å
171	K	97.9	Very high	98.2	Very high	75 Å²	75	45.7 Å²	45.7	33%	0.326	25%	0.253	S	S	.	.			trans	-93.3	-1.1	-178.9	-67.2	168.9	178.6	168	0	112.7	P121 T122 L166 S169	P121-K171 HydrophobicContact CB-CB 4.35Å; P121-K171 HydrophobicContact CB-CD 3.9Å; P121-K171 HydrophobicContact CB-CG 4.46Å; P121-K171 HydrophobicContact CG-CD 3.58Å; P121-K171 HydrophobicContact CG-CG 4.17Å; T122-K171 WeakPolarHBondContact CA-O 3.44Å; L166-K171 HydrophobicContact CD2-CB 4.07Å; L166-K171 CarbonylContact O-C 3.59Å; L166-K171 WeakPolarHBondContact O-CA 3.49Å; L166-K171 PolarHBondContact O-N 3.12Å; S169-K171 PolarHBondContact O-N 2.93Å; S169-K171 WeakPolarHBondContact OG-CD 3.45Å
172	M	98.2	Very high	98.2	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.039	28%	0.284	C	S	.	.	S	Bend	trans	-131.5	121.4	175	-177.2	173	-72.4	0	0	109.2	Q129 V163 L166 F167 D176 F177 L180	Q129-M172 HydrophobicContact CG-CE 4.32Å; V163-M172 HydrophobicContact CG1-CE 4.45Å; V163-M172 HydrophobicContact CG1-SD 3.97Å; L166-M172 HydrophobicContact CB-CB 3.99Å; L166-M172 HydrophobicContact CB-CE 3.93Å; L166-M172 HydrophobicContact CD1-CE 3.76Å; L166-M172 PolarHBondContact O-N 3.11Å; L166-M172 VanDerWaalsContact O-N 3.08Å; F167-M172 HydrophobicContact CB-CB 4.48Å; M172-D176 HydrophobicContact CG-CB 3.7Å; M172-D176 HydrophobicContact SD-CB 4.43Å; M172-F177 HydrophobicContact CG-CB 4.21Å; M172-F177 HydrophobicContact SD-CB 3.96Å; M172-F177 HydrophobicContact SD-CD2 4.39Å; M172-L180 HydrophobicContact CE-CD1 3.66Å; M172-L180 HydrophobicContact SD-CD1 3.91Å
173	P	98.1	Very high	98.2	Very high	63 Å²	63	58 Å²	58	41%	0.409	31%	0.305	S	S	.	.			trans	-56.7	151.5	172	-25.1	34.6	0	0	0	112.2	V175 D176 F177	P173-V175 VanDerWaalsContact C-N 3.27Å; P173-V175 HydrophobicContact CB-CG1 4.24Å; P173-V175 PolarHBondContact O-N 3.46Å; P173-D176 HydrophobicContact CB-CB 4.46Å; P173-D176 WeakPolarHBondContact O-CB 3.44Å; P173-D176 PolarHBondContact O-N 3.05Å; P173-D176 VanDerWaalsContact O-N 3.08Å; P173-F177 PolarHBondContact O-N 3.49Å
174	E	98.3	Very high	98.2	Very high	153 Å²	153	58.2 Å²	58.2	72%	0.715	31%	0.306	S	S	*	.	H	α-helix	trans	-57.4	-39.6	-179.8	-172.5	179.6	178.8	0	0	112.7	F167 D176 F177 A178	F167-E174 HydrophobicContact CE2-CB 4.28Å; F167-E174 HydrophobicContact CE2-CG 4.48Å; E174-D176 PolarHBondContact O-N 2.71Å; E174-F177 PolarHBondContact O-N 3.38Å; E174-A178 WeakPolarHBondContact O-CB 3.37Å; E174-A178 PolarHBondContact O-N 3.05Å
175	V	98.1	Very high	98.1	Very high	95 Å²	95	62.2 Å²	62.2	58%	0.576	33%	0.325	S	S	*	.	H	α-helix	trans	-63.3	-40.4	176.9	66	0	0	0	0	112.4	P173 A178 V179	P173-V175 VanDerWaalsContact C-N 3.27Å; P173-V175 HydrophobicContact CB-CG1 4.24Å; P173-V175 PolarHBondContact O-N 3.46Å; V175-A178 PolarHBondContact O-N 3.42Å; V175-V179 VanDerWaalsContact O-CG2 3.31Å; V175-V179 WeakPolarHBondContact O-CG2 3.49Å; V175-V179 PolarHBondContact O-N 3.39Å
176	D	98.2	Very high	98.1	Very high	40 Å²	40	68.3 Å²	68.3	21%	0.214	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-41.5	179	-77	-1.2	0	0	0	110.6	I126 M172 P173 E174 L180	I126-D176 HydrophobicContact CB-CB 4.33Å; I126-D176 HydrophobicContact CD1-CB 3.74Å; I126-D176 VanDerWaalsContact CD1-CG 3.5Å; I126-D176 WeakPolarHBondContact CD1-OD1 3.48Å; I126-D176 HydrophobicContact CG1-CB 4.47Å; M172-D176 HydrophobicContact CG-CB 3.7Å; M172-D176 HydrophobicContact SD-CB 4.43Å; P173-D176 HydrophobicContact CB-CB 4.46Å; P173-D176 WeakPolarHBondContact O-CB 3.44Å; P173-D176 PolarHBondContact O-N 3.05Å; P173-D176 VanDerWaalsContact O-N 3.08Å; E174-D176 PolarHBondContact O-N 2.71Å; D176-L180 WeakPolarHBondContact O-CG 3.31Å; D176-L180 PolarHBondContact O-N 3.22Å; D176-L180 VanDerWaalsContact O-N 3.09Å
177	F	98.6	Very high	98	Very high	35 Å²	35	68.5 Å²	68.5	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-44.2	174.4	177.1	-98.5	0	0	0	112	V163 E164 F167 M172 P173 E174 L180 S181	V163-F177 HydrophobicContact CG1-CD2 3.73Å; V163-F177 HydrophobicContact CG1-CE2 4.06Å; E164-F177 WeakPolarHBondContact OE2-CE2 3.46Å; E164-F177 WeakPolarHBondContact OE2-CZ 3.49Å; F167-F177 HydrophobicContact CB-CB 4.33Å; F167-F177 HydrophobicContact CB-CD2 3.41Å; F167-F177 VanDerWaalsContact CB-CD2 3.41Å; F167-F177 HydrophobicContact CB-CE2 3.81Å; F167-F177 HydrophobicContact CB-CG 4Å; F167-F177 HydrophobicContact CD1-CD1 4.16Å; F167-F177 AromaticContact CD1-CD2 3.94Å; F167-F177 HydrophobicContact CD1-CD2 3.94Å; F167-F177 HydrophobicContact CD1-CE1 4.12Å; F167-F177 AromaticContact CD1-CE2 3.86Å; F167-F177 HydrophobicContact CD1-CE2 3.86Å; F167-F177 HydrophobicContact CD1-CG 4.05Å; F167-F177 AromaticContact CD1-CZ 3.95Å; F167-F177 HydrophobicContact CD1-CZ 3.95Å; F167-F177 HydrophobicContact CD2-CB 3.62Å; F167-F177 HydrophobicContact CD2-CD1 4.26Å; F167-F177 HydrophobicContact CD2-CD2 4.07Å; F167-F177 AromaticContact CD2-CG 3.74Å; F167-F177 HydrophobicContact CD2-CG 3.74Å; F167-F177 HydrophobicContact CE1-CD1 4.21Å; F167-F177 HydrophobicContact CE1-CE1 4.17Å; F167-F177 HydrophobicContact CE1-CG 4.49Å; F167-F177 HydrophobicContact CE1-CZ 4.39Å; F167-F177 HydrophobicContact CE2-CB 4.11Å; F167-F177 HydrophobicContact CE2-CD1 4.33Å; F167-F177 HydrophobicContact CE2-CG 4.22Å; F167-F177 HydrophobicContact CG-CB 4.01Å; F167-F177 HydrophobicContact CG-CD1 4.18Å; F167-F177 AromaticContact CG-CD2 3.54Å; F167-F177 HydrophobicContact CG-CD2 3.54Å; F167-F177 AromaticContact CG-CE2 3.92Å; F167-F177 HydrophobicContact CG-CE2 3.92Å; F167-F177 AromaticContact CG-CG 3.65Å; F167-F177 HydrophobicContact CG-CG 3.65Å; F167-F177 HydrophobicContact CG-CZ 4.4Å; F167-F177 HydrophobicContact CZ-CD1 4.3Å; M172-F177 HydrophobicContact CG-CB 4.21Å; M172-F177 HydrophobicContact SD-CB 3.96Å; M172-F177 HydrophobicContact SD-CD2 4.39Å; P173-F177 PolarHBondContact O-N 3.49Å; E174-F177 PolarHBondContact O-N 3.38Å; F177-L180 PolarHBondContact O-N 3.08Å; F177-S181 WeakPolarHBondContact O-CB 3.32Å; F177-S181 PolarHBondContact O-N 2.91Å; F177-S181 PolarHBondContact O-OG 2.94Å
178	A	98.5	Very high	97.9	Very high	39 Å²	39	67.2 Å²	67.2	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-48.2	178.1	0	0	0	0	0	111.2	E174 V175 L180 S181 E182	E174-A178 WeakPolarHBondContact O-CB 3.37Å; E174-A178 PolarHBondContact O-N 3.05Å; V175-A178 PolarHBondContact O-N 3.42Å; A178-L180 PolarHBondContact O-N 3.3Å; A178-S181 WeakPolarHBondContact O-CA 3.46Å; A178-S181 WeakPolarHBondContact O-CB 3.49Å; A178-S181 PolarHBondContact O-N 3.45Å; A178-S181 VanDerWaalsContact O-N 3.08Å; A178-E182 PolarHBondContact O-N 3.37Å
179	V	98.4	Very high	97.8	Very high	63 Å²	63	67.5 Å²	67.5	38%	0.382	35%	0.353	S	S	.	.	H	α-helix	trans	-58.8	-47.1	177.6	169.6	0	0	0	0	111.6	V175 S181 E182 W183	V175-V179 VanDerWaalsContact O-CG2 3.31Å; V175-V179 WeakPolarHBondContact O-CG2 3.49Å; V175-V179 PolarHBondContact O-N 3.39Å; V179-S181 VanDerWaalsContact C-N 3.25Å; V179-S181 PolarHBondContact O-N 2.79Å; V179-E182 PolarHBondContact O-N 2.81Å; V179-W183 VanDerWaalsContact O-CD1 3.28Å; V179-W183 PolarHBondContact O-N 2.84Å
180	L	98.4	Very high	97.7	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-27.5	177.8	-73.5	175	0	0	0	113.1	I126 Q129 T130 Q133 V163 M172 D176 F177 A178 F184	I126-L180 HydrophobicContact CG1-CD1 4.21Å; I126-L180 HydrophobicContact CG1-CG 4.39Å; Q129-L180 HydrophobicContact CB-CD1 3.85Å; T130-L180 WeakPolarHBondContact OG1-CD2 3.24Å; Q133-L180 PolarHBondContact NE2-O 3.27Å; V163-L180 HydrophobicContact CG1-CB 4.26Å; V163-L180 HydrophobicContact CG1-CD1 4.18Å; V163-L180 HydrophobicContact CG2-CD1 4.02Å; M172-L180 HydrophobicContact CE-CD1 3.66Å; M172-L180 HydrophobicContact SD-CD1 3.91Å; D176-L180 WeakPolarHBondContact O-CG 3.31Å; D176-L180 PolarHBondContact O-N 3.22Å; D176-L180 VanDerWaalsContact O-N 3.09Å; F177-L180 PolarHBondContact O-N 3.08Å; A178-L180 PolarHBondContact O-N 3.3Å; L180-F184 WeakPolarHBondContact O-CB 3.48Å; L180-F184 PolarHBondContact O-N 2.83Å
181	S	98.3	Very high	97.6	Very high	13 Å²	13	68.5 Å²	68.5	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-72.1	-48	174.8	-56.7	0	0	0	0	111.1	K159 F177 A178 V179 W183 F184 E185	K159-S181 WeakPolarHBondContact CE-OG 3.43Å; K159-S181 PolarHBondContact NZ-OG 3.03Å; K159-S181 VanDerWaalsContact NZ-OG 3.08Å; F177-S181 WeakPolarHBondContact O-CB 3.32Å; F177-S181 PolarHBondContact O-N 2.91Å; F177-S181 PolarHBondContact O-OG 2.94Å; A178-S181 WeakPolarHBondContact O-CA 3.46Å; A178-S181 WeakPolarHBondContact O-CB 3.49Å; A178-S181 PolarHBondContact O-N 3.45Å; A178-S181 VanDerWaalsContact O-N 3.08Å; V179-S181 VanDerWaalsContact C-N 3.25Å; V179-S181 PolarHBondContact O-N 2.79Å; S181-W183 VanDerWaalsContact C-N 3.31Å; S181-W183 PolarHBondContact O-N 3.13Å; S181-F184 WeakPolarHBondContact O-CB 3.35Å; S181-F184 PolarHBondContact O-N 2.76Å; S181-F184 VanDerWaalsContact O-N 3.13Å; S181-E185 WeakPolarHBondContact O-CB 3.42Å; S181-E185 WeakPolarHBondContact O-CG 3.26Å; S181-E185 PolarHBondContact O-N 2.93Å
182	E	98.3	Very high	97.2	Very high	137 Å²	137	68.2 Å²	68.2	64%	0.64	35%	0.351	S	S	*	.	H	α-helix	trans	-59.5	-41.4	176.3	-73	-175.2	-159.4	0	0	112	A178 V179 E185 W186	A178-E182 PolarHBondContact O-N 3.37Å; V179-E182 PolarHBondContact O-N 2.81Å; E182-E185 PolarHBondContact O-N 3.36Å; E182-W186 VanDerWaalsContact O-CB 3.31Å; E182-W186 WeakPolarHBondContact O-CB 3.44Å; E182-W186 PolarHBondContact O-N 3.07Å
183	W	97.8	Very high	97	Very high	144 Å²	144	68.6 Å²	68.6	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-47.7	173.8	-90.1	109.1	0	0	0	112.2	V179 S181 W186 I187	V179-W183 VanDerWaalsContact O-CD1 3.28Å; V179-W183 PolarHBondContact O-N 2.84Å; S181-W183 VanDerWaalsContact C-N 3.31Å; S181-W183 PolarHBondContact O-N 3.13Å; W183-W186 PolarHBondContact O-N 3.08Å; W183-I187 WeakPolarHBondContact O-CD1 3.38Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 2.92Å
184	F	97.9	Very high	96.8	Very high	6 Å²	6	68.9 Å²	68.9	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-44.2	178.8	171.6	-95.1	0	0	0	112.2	I155 Y156 K159 Y160 L180 S181 I187 T188	I155-F184 HydrophobicContact CG1-CD2 4.1Å; I155-F184 HydrophobicContact CG1-CE2 4.28Å; I155-F184 HydrophobicContact CG2-CE2 4.25Å; I155-F184 WeakPolarHBondContact O-CE2 3.26Å; Y156-F184 HydrophobicContact CD1-CE2 4.23Å; Y156-F184 AromaticContact CD1-CZ 3.76Å; Y156-F184 HydrophobicContact CD1-CZ 3.76Å; Y156-F184 HydrophobicContact CE1-CZ 4.24Å; K159-F184 HydrophobicContact CB-CB 4.4Å; K159-F184 HydrophobicContact CB-CD1 4.2Å; K159-F184 HydrophobicContact CB-CD2 3.58Å; K159-F184 HydrophobicContact CB-CE1 4.39Å; K159-F184 HydrophobicContact CB-CE2 3.81Å; K159-F184 HydrophobicContact CB-CG 3.78Å; K159-F184 HydrophobicContact CB-CZ 4.2Å; K159-F184 HydrophobicContact CD-CB 4.35Å; K159-F184 HydrophobicContact CD-CG 4.41Å; K159-F184 HydrophobicContact CG-CB 4.23Å; K159-F184 HydrophobicContact CG-CD1 3.81Å; K159-F184 HydrophobicContact CG-CD2 4.11Å; K159-F184 HydrophobicContact CG-CE1 4.17Å; K159-F184 HydrophobicContact CG-CE2 4.45Å; K159-F184 HydrophobicContact CG-CG 3.77Å; K159-F184 HydrophobicContact CG-CZ 4.46Å; Y160-F184 HydrophobicContact CE1-CD1 4.49Å; Y160-F184 AromaticContact CE1-CE1 3.62Å; Y160-F184 HydrophobicContact CE1-CE1 3.62Å; Y160-F184 AromaticContact CE1-CZ 3.86Å; Y160-F184 HydrophobicContact CE1-CZ 3.86Å; Y160-F184 HydrophobicContact CE2-CZ 4.27Å; Y160-F184 AromaticContact CZ-CE1 3.67Å; Y160-F184 AromaticContact CZ-CZ 3.65Å; Y160-F184 WeakPolarHBondContact OH-CE1 3.45Å; L180-F184 WeakPolarHBondContact O-CB 3.48Å; L180-F184 PolarHBondContact O-N 2.83Å; S181-F184 WeakPolarHBondContact O-CB 3.35Å; S181-F184 PolarHBondContact O-N 2.76Å; S181-F184 VanDerWaalsContact O-N 3.13Å; F184-I187 PolarHBondContact O-N 3.25Å; F184-T188 HydrophobicContact CD1-CG2 4.49Å; F184-T188 HydrophobicContact CD2-CG2 4.23Å; F184-T188 HydrophobicContact CE1-CG2 4.04Å; F184-T188 HydrophobicContact CE2-CG2 3.74Å; F184-T188 HydrophobicContact CZ-CG2 3.64Å; F184-T188 WeakPolarHBondContact O-CG2 3.23Å; F184-T188 PolarHBondContact O-N 3.28Å; F184-T188 PolarHBondContact O-OG1 3.14Å
185	E	97.7	Very high	96.6	Very high	101 Å²	101	62.7 Å²	62.7	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-46.5	177.1	-74.4	174.7	-162.9	0	0	111.2	S181 E182 I187 T188 Q189	S181-E185 WeakPolarHBondContact O-CB 3.42Å; S181-E185 WeakPolarHBondContact O-CG 3.26Å; S181-E185 PolarHBondContact O-N 2.93Å; E182-E185 PolarHBondContact O-N 3.36Å; E185-I187 VanDerWaalsContact C-N 3.32Å; E185-I187 PolarHBondContact O-N 3.41Å; E185-T188 PolarHBondContact O-N 3.44Å; E185-T188 PolarHBondContact O-OG1 3.27Å; E185-Q189 VanDerWaalsContact O-CB 3.3Å; E185-Q189 WeakPolarHBondContact O-CB 3.22Å; E185-Q189 WeakPolarHBondContact O-CG 3.32Å; E185-Q189 PolarHBondContact O-N 3.46Å
186	W	98	Very high	96.6	Very high	136 Å²	136	59.7 Å²	59.7	52%	0.515	31%	0.308	S	S	.	.	H	α-helix	trans	-58.7	-45.5	176.1	-176.3	89.8	0	0	0	111.2	E182 W183 N190 I191	E182-W186 VanDerWaalsContact O-CB 3.31Å; E182-W186 WeakPolarHBondContact O-CB 3.44Å; E182-W186 PolarHBondContact O-N 3.07Å; W183-W186 PolarHBondContact O-N 3.08Å; W186-N190 HydrophobicContact CZ2-CB 4.4Å; W186-N190 PolarHBondContact NE1-ND2 3.22Å; W186-N190 VanDerWaalsContact O-CB 3.28Å; W186-N190 WeakPolarHBondContact O-CB 3.33Å; W186-N190 PolarHBondContact O-N 2.92Å; W186-N190 PolarHBondContact O-ND2 2.96Å; W186-I191 HydrophobicContact CZ3-CD1 4.13Å
187	I	96.5	Very high	96.6	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-51.8	178.1	-70.2	163.6	0	0	0	110.6	L137 I155 W183 F184 E185 Q189 N190 I191 I193	L137-I187 HydrophobicContact CD1-CG2 3.8Å; L137-I187 HydrophobicContact CD2-CD1 4.01Å; L137-I187 HydrophobicContact CD2-CG1 4.11Å; L137-I187 HydrophobicContact CD2-CG2 4.43Å; I155-I187 HydrophobicContact CD1-CB 4.26Å; I155-I187 HydrophobicContact CD1-CD1 3.87Å; I155-I187 HydrophobicContact CD1-CG2 3.57Å; W183-I187 WeakPolarHBondContact O-CD1 3.38Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 2.92Å; F184-I187 PolarHBondContact O-N 3.25Å; E185-I187 VanDerWaalsContact C-N 3.32Å; E185-I187 PolarHBondContact O-N 3.41Å; I187-Q189 VanDerWaalsContact C-N 3.3Å; I187-Q189 PolarHBondContact O-N 3.2Å; I187-N190 PolarHBondContact O-N 3.48Å; I187-I191 HydrophobicContact CG2-CB 4.44Å; I187-I191 HydrophobicContact CG2-CD1 4.27Å; I187-I191 WeakPolarHBondContact O-CA 3.47Å; I187-I191 VanDerWaalsContact O-CB 3.24Å; I187-I191 WeakPolarHBondContact O-CB 3.29Å; I187-I191 PolarHBondContact O-N 2.97Å; I187-I193 HydrophobicContact CG2-CD1 4.49Å
188	T	95.6	Very high	96.6	Very high	43 Å²	43	56.2 Å²	56.2	26%	0.264	29%	0.291	S	S	.	.	H	α-helix	trans	-69.5	-26.6	-174.5	51.9	0	0	0	0	113.4	Y156 F184 E185	Y156-T188 HydrophobicContact CE1-CG2 4.11Å; F184-T188 HydrophobicContact CD1-CG2 4.49Å; F184-T188 HydrophobicContact CD2-CG2 4.23Å; F184-T188 HydrophobicContact CE1-CG2 4.04Å; F184-T188 HydrophobicContact CE2-CG2 3.74Å; F184-T188 HydrophobicContact CZ-CG2 3.64Å; F184-T188 WeakPolarHBondContact O-CG2 3.23Å; F184-T188 PolarHBondContact O-N 3.28Å; F184-T188 PolarHBondContact O-OG1 3.14Å; E185-T188 PolarHBondContact O-N 3.44Å; E185-T188 PolarHBondContact O-OG1 3.27Å
189	Q	95.8	Very high	96.6	Very high	144 Å²	144	54.4 Å²	54.4	67%	0.673	28%	0.276	S	S	*	.	H	α-helix	trans	-80.4	-35.9	175.3	-69.6	171.7	13.1	0	0	113	E185 I187	E185-Q189 VanDerWaalsContact O-CB 3.3Å; E185-Q189 WeakPolarHBondContact O-CB 3.22Å; E185-Q189 WeakPolarHBondContact O-CG 3.32Å; E185-Q189 PolarHBondContact O-N 3.46Å; I187-Q189 VanDerWaalsContact C-N 3.3Å; I187-Q189 PolarHBondContact O-N 3.2Å
190	N	96.4	Very high	96.6	Very high	99 Å²	99	51.4 Å²	51.4	53%	0.529	26%	0.258	S	S	.	.	H	α-helix	trans	-102.2	-19.7	-170.9	-65.9	-82.6	0	0	0	113.8	W186 I187	W186-N190 HydrophobicContact CZ2-CB 4.4Å; W186-N190 PolarHBondContact NE1-ND2 3.22Å; W186-N190 VanDerWaalsContact O-CB 3.28Å; W186-N190 WeakPolarHBondContact O-CB 3.33Å; W186-N190 PolarHBondContact O-N 2.92Å; W186-N190 PolarHBondContact O-ND2 2.96Å; I187-N190 PolarHBondContact O-N 3.48Å
191	I	94.1	Very high	96.6	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.185	26%	0.257	C	S	.	.	S	Bend	trans	-117.6	132.2	-176.2	-55	-178.6	0	0	0	109.3	L137 L141 W186 I187 I193	L137-I191 HydrophobicContact CD1-CD1 3.87Å; L137-I191 HydrophobicContact CD1-CG2 4.23Å; L137-I191 HydrophobicContact CD2-CD1 4.03Å; L141-I191 HydrophobicContact CD2-CG2 3.62Å; W186-I191 HydrophobicContact CZ3-CD1 4.13Å; I187-I191 HydrophobicContact CG2-CB 4.44Å; I187-I191 HydrophobicContact CG2-CD1 4.27Å; I187-I191 WeakPolarHBondContact O-CA 3.47Å; I187-I191 VanDerWaalsContact O-CB 3.24Å; I187-I191 WeakPolarHBondContact O-CB 3.29Å; I187-I191 PolarHBondContact O-N 2.97Å; I191-I193 HydrophobicContact CG2-CD1 3.94Å; I191-I193 PolarHBondContact O-N 3.47Å
192	A	90.9	Very high	96.6	Very high	70 Å²	70	53.2 Å²	53.2	58%	0.579	27%	0.265	S	S	*	.			trans	-72.2	112.2	173.8	0	0	0	0	0	110	P194	A192-P194 VanDerWaalsContact O-CD 3.22Å; A192-P194 WeakPolarHBondContact O-CD 3.14Å
193	I	93.6	Very high	96.5	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.082	24%	0.235	C	C	.	.			trans	-107.6	84.4	172.5	-52.5	-60.6	0	0	0	107.6	F73 L137 H140 I155 Y156 I187 I191	F73-I193 HydrophobicContact CZ-CG2 4.27Å; L137-I193 HydrophobicContact CD1-CD1 4.11Å; H140-I193 HydrophobicContact CB-CD1 3.74Å; I155-I193 HydrophobicContact CG2-CG2 4.21Å; Y156-I193 HydrophobicContact CE2-CG2 3.83Å; I187-I193 HydrophobicContact CG2-CD1 4.49Å; I191-I193 HydrophobicContact CG2-CD1 3.94Å; I191-I193 PolarHBondContact O-N 3.47Å
194	P	92.8	Very high	96.5	Very high	69 Å²	69	41.2 Å²	41.2	45%	0.448	22%	0.218	S	C	.	.			trans	-67.1	138.5	-177.3	28.8	-34.8	0	0	0	110.8	V71 A192	V71-P194 WeakPolarHBondContact CG1-O 3.34Å; V71-P194 HydrophobicContact CG2-CB 4.38Å; V71-P194 HydrophobicContact CG2-CG 4.18Å; A192-P194 VanDerWaalsContact O-CD 3.22Å; A192-P194 WeakPolarHBondContact O-CD 3.14Å
195	V	95.7	Very high	96.5	Very high	22 Å²	22	41.4 Å²	41.4	13%	0.133	22%	0.22	C	C	.	.			trans	-152.2	129.7	171.2	54.9	0	0	0	0	107.9	F73 I198 P248 A249	F73-V195 HydrophobicContact CD1-CG2 4.34Å; F73-V195 HydrophobicContact CD2-CB 4.04Å; F73-V195 HydrophobicContact CD2-CG2 3.52Å; F73-V195 HydrophobicContact CE1-CB 4.35Å; F73-V195 HydrophobicContact CE1-CG2 4.38Å; F73-V195 HydrophobicContact CE2-CB 3.53Å; F73-V195 HydrophobicContact CE2-CG1 4.04Å; F73-V195 HydrophobicContact CE2-CG2 3.58Å; F73-V195 HydrophobicContact CG-CG2 3.92Å; F73-V195 HydrophobicContact CZ-CB 3.7Å; F73-V195 HydrophobicContact CZ-CG2 4.02Å; V195-I198 HydrophobicContact CG2-CG1 4.17Å; V195-P248 HydrophobicContact CG1-CB 3.78Å; V195-P248 HydrophobicContact CG1-CG 3.92Å; V195-A249 HydrophobicContact CB-CB 4.34Å; V195-A249 HydrophobicContact CG1-CB 3.96Å; V195-A249 HydrophobicContact CG2-CB 3.75Å
196	D	96.8	Very high	96.5	Very high	32 Å²	32	40.8 Å²	40.8	17%	0.171	22%	0.217	C	C	.	.	S	Bend	trans	-105.9	-27.4	178.8	-63.9	-88	0	0	0	111.4	K68 L70 V71	K68-D196 VanDerWaalsContact CE-OD1 3.29Å; K68-D196 WeakPolarHBondContact CE-OD1 3.43Å; K68-D196 IonicContact NZ-OD1 3.29Å; K68-D196 PolarHBondContact NZ-OD1 2.67Å; L70-D196 WeakPolarHBondContact CA-OD2 3.44Å; L70-D196 HydrophobicContact CD1-CB 3.33Å; L70-D196 HydrophobicContact CG-CB 4.44Å; V71-D196 PolarHBondContact N-OD2 3.48Å; V71-D196 PolarHBondContact O-N 2.87Å
197	L	97.9	Very high	96.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.2	179.5	174.7	68	0	0	0	111.1	V71 V72 F73 V199 L252 S278	V71-L197 PolarHBondContact O-N 2.75Å; V72-L197 CarbonylContact C-O 3.54Å; V72-L197 VanDerWaalsContact CA-O 3.32Å; V72-L197 WeakPolarHBondContact CA-O 3.5Å; V72-L197 HydrophobicContact CG1-CB 4.26Å; V72-L197 HydrophobicContact CG1-CD2 4.09Å; V72-L197 HydrophobicContact CG1-CG 4.2Å; V72-L197 HydrophobicContact CG2-CB 4.33Å; F73-L197 PolarHBondContact N-O 2.91Å; L197-V199 HydrophobicContact CD2-CG2 3.8Å; L197-V199 HydrophobicContact CG-CG2 4.13Å; L197-L252 HydrophobicContact CD1-CB 3.88Å; L197-S278 VanDerWaalsContact CD1-OG 3.22Å; L197-S278 WeakPolarHBondContact CD1-OG 3.41Å
198	I	98.6	Very high	96.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.4	165.1	-61.7	169.4	0	0	0	107.8	F73 E75 V195 L239 V247 P248 A249 P250 V251 L252	F73-I198 HydrophobicContact CB-CG1 4.43Å; F73-I198 HydrophobicContact CD2-CG1 4.45Å; F73-I198 CarbonylContact O-C 3.55Å; F73-I198 WeakPolarHBondContact O-CA 3.31Å; E75-I198 HydrophobicContact CB-CG2 4.08Å; E75-I198 HydrophobicContact CG-CG2 3.76Å; V195-I198 HydrophobicContact CG2-CG1 4.17Å; I198-L239 HydrophobicContact CD1-CD2 4.26Å; I198-L239 HydrophobicContact CG2-CD1 4.16Å; I198-L239 HydrophobicContact CG2-CD2 4.25Å; I198-V247 HydrophobicContact CD1-CG1 3.86Å; I198-P248 HydrophobicContact CD1-CG 4.07Å; I198-A249 HydrophobicContact CG1-CB 4.3Å; I198-P250 PolarHBondContact N-O 3.26Å; I198-V251 HydrophobicContact CB-CG2 4.33Å; I198-V251 CarbonylContact O-C 3.53Å; I198-V251 VanDerWaalsContact O-CA 3.28Å; I198-V251 WeakPolarHBondContact O-CA 3.31Å; I198-L252 PolarHBondContact O-N 3.21Å
199	V	98.5	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.3	168.3	-179.7	0	0	0	0	107.7	V72 F73 I74 E75 L197 L201 L252 I254 I274	V72-V199 HydrophobicContact CG1-CG2 3.68Å; F73-V199 PolarHBondContact O-N 2.91Å; I74-V199 WeakPolarHBondContact CA-O 3.27Å; I74-V199 HydrophobicContact CD1-CB 3.72Å; I74-V199 HydrophobicContact CD1-CG1 4.34Å; I74-V199 HydrophobicContact CD1-CG2 3.99Å; E75-V199 PolarHBondContact N-O 3.39Å; L197-V199 HydrophobicContact CD2-CG2 3.8Å; L197-V199 HydrophobicContact CG-CG2 4.13Å; V199-L201 HydrophobicContact CG1-CD2 4.11Å; V199-L252 CarbonylContact C-O 3.58Å; V199-L252 WeakPolarHBondContact CA-O 3.48Å; V199-L252 HydrophobicContact CG2-CD2 4.43Å; V199-I254 HydrophobicContact CG1-CD1 3.68Å; V199-I254 HydrophobicContact CG1-CG1 4.17Å; V199-I274 HydrophobicContact CG2-CG1 4.04Å
200	Y	98.6	Very high	96.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	110	176.3	178.4	-138.2	0	0	0	109.9	E75 Q202 Y235 E236 L239 I240 L252 V253 I254	E75-Y200 HydrophobicContact CB-CD2 4.48Å; Y200-Q202 HydrophobicContact CD1-CB 4.06Å; Y200-Q202 HydrophobicContact CD1-CG 4.48Å; Y200-Q202 HydrophobicContact CE1-CB 3.72Å; Y200-Q202 HydrophobicContact CE1-CG 3.72Å; Y200-Q202 PolarHBondContact O-N 3.46Å; Y200-Y235 HydrophobicContact CD2-CD1 4.25Å; Y200-Y235 AromaticContact CE2-CD1 3.89Å; Y200-Y235 HydrophobicContact CE2-CD1 3.89Å; Y200-Y235 AromaticContact CE2-CG 3.9Å; Y200-Y235 HydrophobicContact CE2-CG 3.9Å; Y200-Y235 WeakPolarHBondContact OH-CB 3.3Å; Y200-E236 WeakPolarHBondContact CE1-OE1 3.22Å; Y200-E236 PolarHBondContact OH-OE1 2.96Å; Y200-L239 HydrophobicContact CD1-CB 4.36Å; Y200-L239 HydrophobicContact CD1-CD1 4.37Å; Y200-L239 HydrophobicContact CD2-CD1 3.81Å; Y200-L239 HydrophobicContact CG-CD1 3.75Å; Y200-I240 HydrophobicContact CD1-CD1 3.85Å; Y200-I240 HydrophobicContact CD1-CG1 4.3Å; Y200-I240 HydrophobicContact CE1-CD1 4.04Å; Y200-I240 HydrophobicContact CE1-CG1 4.03Å; Y200-L252 PolarHBondContact N-O 2.82Å; Y200-V253 HydrophobicContact CD1-CG1 4.19Å; Y200-V253 HydrophobicContact CD1-CG2 4.44Å; Y200-I254 PolarHBondContact O-N 3.33Å
201	L	98.3	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	98.5	170.5	-58.5	-173.9	0	0	0	108.5	I74 E75 K82 C85 V199 S203 I254 A256 Y267	I74-L201 HydrophobicContact CG2-CD1 3.95Å; I74-L201 HydrophobicContact CG2-CG 4.09Å; E75-L201 PolarHBondContact O-N 2.86Å; K82-L201 HydrophobicContact CB-CD1 4.47Å; K82-L201 HydrophobicContact CG-CD1 4.18Å; C85-L201 HydrophobicContact CB-CD1 3.83Å; V199-L201 HydrophobicContact CG1-CD2 4.11Å; L201-S203 PolarHBondContact O-N 2.78Å; L201-I254 HydrophobicContact CD2-CB 3.99Å; L201-I254 HydrophobicContact CD2-CD1 4.41Å; L201-I254 HydrophobicContact CD2-CG2 4.35Å; L201-A256 HydrophobicContact CB-CB 4.03Å; L201-Y267 HydrophobicContact CD2-CE1 4.08Å
202	Q	98.4	Very high	96.2	Very high	53 Å²	53	30.1 Å²	30.1	25%	0.248	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	103.7	-175.3	-170.9	-178	43	0	0	109.3	Y200 E236 V253 I254 A256	Y200-Q202 HydrophobicContact CD1-CB 4.06Å; Y200-Q202 HydrophobicContact CD1-CG 4.48Å; Y200-Q202 HydrophobicContact CE1-CB 3.72Å; Y200-Q202 HydrophobicContact CE1-CG 3.72Å; Y200-Q202 PolarHBondContact O-N 3.46Å; Q202-E236 PolarHBondContact NE2-OE1 3.13Å; Q202-E236 PolarHBondContact NE2-OE2 2.89Å; Q202-V253 HydrophobicContact CB-CG1 3.89Å; Q202-I254 PolarHBondContact N-O 3.24Å; Q202-A256 PolarHBondContact O-N 3.44Å
203	S	97.3	Very high	96.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	17%	0.165	C	C	.	.			trans	-116.5	146.7	172	-56	0	0	0	0	110.1	L201 R211 H232 A256 D257	L201-S203 PolarHBondContact O-N 2.78Å; S203-R211 PolarHBondContact OG-NH1 2.85Å; S203-H232 PolarHBondContact O-ND1 2.92Å; S203-A256 VanDerWaalsContact OG-CB 3.26Å; S203-A256 WeakPolarHBondContact OG-CB 3.29Å; S203-A256 PolarHBondContact OG-O 3.23Å; S203-D257 WeakPolarHBondContact CA-OD1 3.42Å
204	S	98.1	Very high	95.9	Very high	27 Å²	27	39.6 Å²	39.6	19%	0.189	20%	0.195	C	C	.	.			trans	-60.6	146.9	169.2	71.6	0	0	0	0	111.3	Q206 T207 C208 D257	S204-Q206 PolarHBondContact O-N 3.42Å; S204-T207 PolarHBondContact O-N 3.36Å; S204-T207 WeakPolarHBondContact OG-CB 3.13Å; S204-T207 PolarHBondContact OG-N 3.19Å; S204-T207 VanDerWaalsContact OG-N 3.13Å; S204-T207 PolarHBondContact OG-OG1 3.37Å; S204-C208 PolarHBondContact O-N 3.26Å; S204-D257 WeakPolarHBondContact CB-OD1 3.49Å; S204-D257 PolarHBondContact N-OD1 3.37Å; S204-D257 PolarHBondContact N-OD2 2.85Å; S204-D257 PolarHBondContact OG-OD1 2.6Å; S204-D257 VanDerWaalsContact OG-OD1 3.06Å
205	P	98.1	Very high	95.6	Very high	11 Å²	11	41 Å²	41	7%	0.071	19%	0.191	C	C	.	.	H	α-helix	trans	-54.6	-35.4	173.4	-27.5	36.4	0	0	0	113.2	C208 H209 L225 L228 E229 H232	P205-C208 PolarHBondContact O-N 2.89Å; P205-H209 VanDerWaalsContact O-CB 3.3Å; P205-H209 WeakPolarHBondContact O-CB 3.42Å; P205-H209 PolarHBondContact O-N 3.48Å; P205-L225 HydrophobicContact CB-CD1 3.88Å; P205-L225 WeakPolarHBondContact O-CD1 3.04Å; P205-L228 HydrophobicContact CB-CB 4.25Å; P205-E229 HydrophobicContact CB-CB 4.44Å; P205-E229 HydrophobicContact CB-CG 3.6Å; P205-E229 HydrophobicContact CG-CB 4.34Å; P205-E229 HydrophobicContact CG-CG 3.79Å; P205-H232 HydrophobicContact CG-CB 3.75Å
206	Q	97.5	Very high	94.8	Very high	88 Å²	88	43.6 Å²	43.6	41%	0.411	21%	0.21	S	C	.	.	H	α-helix	trans	-64.8	-51.4	179.6	-66.4	73.3	18.3	0	0	110.9	S204 C208 H209 E210	S204-Q206 PolarHBondContact O-N 3.42Å; Q206-C208 VanDerWaalsContact C-N 3.32Å; Q206-C208 PolarHBondContact O-N 2.98Å; Q206-H209 WeakPolarHBondContact O-CB 3.38Å; Q206-H209 PolarHBondContact O-N 3.35Å; Q206-H209 VanDerWaalsContact O-N 3.1Å; Q206-E210 WeakPolarHBondContact O-CG 3.26Å; Q206-E210 PolarHBondContact O-N 2.67Å
207	T	96.6	Very high	94.2	Very high	24 Å²	24	44.9 Å²	44.9	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-40.6	175.7	-61.3	0	0	0	0	111.6	S204 H209 E210 R211 D257	S204-T207 PolarHBondContact O-N 3.36Å; S204-T207 WeakPolarHBondContact OG-CB 3.13Å; S204-T207 PolarHBondContact OG-N 3.19Å; S204-T207 VanDerWaalsContact OG-N 3.13Å; S204-T207 PolarHBondContact OG-OG1 3.37Å; T207-H209 VanDerWaalsContact C-N 3.32Å; T207-H209 PolarHBondContact O-N 2.88Å; T207-E210 PolarHBondContact O-N 2.96Å; T207-R211 HydrophobicContact CG2-CG 4.47Å; T207-R211 VanDerWaalsContact CG2-CZ 3.41Å; T207-R211 WeakPolarHBondContact O-CB 3.28Å; T207-R211 VanDerWaalsContact O-CG 3.31Å; T207-R211 WeakPolarHBondContact O-CG 3.26Å; T207-R211 PolarHBondContact O-N 3.43Å; T207-D257 VanDerWaalsContact CB-OD1 3.3Å; T207-D257 WeakPolarHBondContact CB-OD1 3.34Å; T207-D257 PolarHBondContact OG1-OD1 3.05Å
208	C	96.8	Very high	93.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-43	173.2	-78.5	0	0	0	0	112.1	I78 A79 S204 P205 Q206 R211 L212 L228	I78-C208 VanDerWaalsContact O-CB 3.31Å; I78-C208 WeakPolarHBondContact O-CB 3.46Å; I78-C208 PolarHBondContact O-SG 3.35Å; A79-C208 WeakPolarHBondContact CB-O 3.28Å; S204-C208 PolarHBondContact O-N 3.26Å; P205-C208 PolarHBondContact O-N 2.89Å; Q206-C208 VanDerWaalsContact C-N 3.32Å; Q206-C208 PolarHBondContact O-N 2.98Å; C208-R211 PolarHBondContact O-N 3.05Å; C208-L212 VanDerWaalsContact O-CB 3.23Å; C208-L212 WeakPolarHBondContact O-CB 3.22Å; C208-L212 PolarHBondContact O-N 3.47Å; C208-L228 HydrophobicContact CB-CD1 4.27Å
209	H	95.3	Very high	92.7	Very high	39 Å²	39	51.7 Å²	51.7	18%	0.181	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-39.9	-179.8	-173	-135.5	0	0	0	112.4	P205 Q206 T207 L212 K213 L225 L228	P205-H209 VanDerWaalsContact O-CB 3.3Å; P205-H209 WeakPolarHBondContact O-CB 3.42Å; P205-H209 PolarHBondContact O-N 3.48Å; Q206-H209 WeakPolarHBondContact O-CB 3.38Å; Q206-H209 PolarHBondContact O-N 3.35Å; Q206-H209 VanDerWaalsContact O-N 3.1Å; T207-H209 VanDerWaalsContact C-N 3.32Å; T207-H209 PolarHBondContact O-N 2.88Å; H209-L212 WeakPolarHBondContact O-CB 3.49Å; H209-L212 PolarHBondContact O-N 3.25Å; H209-K213 WeakPolarHBondContact CE1-CE 3.47Å; H209-K213 PolarHBondContact CE1-NZ 3.19Å; H209-K213 WeakPolarHBondContact NE2-CE 3.31Å; H209-K213 WeakPolarHBondContact O-CG 3.36Å; H209-K213 PolarHBondContact O-N 3.41Å; H209-K213 VanDerWaalsContact O-N 3.14Å; H209-L225 HydrophobicContact CB-CD1 3.86Å; H209-L228 HydrophobicContact CB-CD1 3.66Å
210	E	94.3	Very high	92	Very high	118 Å²	118	52 Å²	52	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-61.5	-51.6	173.7	-71.4	169.4	178.9	0	0	111.1	Q206 T207 L212 K213 E214	Q206-E210 WeakPolarHBondContact O-CG 3.26Å; Q206-E210 PolarHBondContact O-N 2.67Å; T207-E210 PolarHBondContact O-N 2.96Å; E210-L212 VanDerWaalsContact C-N 3.27Å; E210-L212 PolarHBondContact O-N 3.24Å; E210-K213 WeakPolarHBondContact O-CB 3.34Å; E210-K213 PolarHBondContact O-N 3Å; E210-K213 VanDerWaalsContact O-N 3.1Å; E210-E214 PolarHBondContact O-N 2.92Å; E210-E214 VanDerWaalsContact O-N 3.08Å
211	R	94.1	Very high	91.2	Very high	53 Å²	53	57.9 Å²	57.9	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-33.7	177.2	-69.2	173.4	179.7	167.8	2	112.8	A79 S203 T207 C208 K213 E214 R215 A256 D258	A79-R211 HydrophobicContact CB-CB 3.98Å; A79-R211 VanDerWaalsContact O-CD 3.28Å; A79-R211 WeakPolarHBondContact O-CD 3.37Å; S203-R211 PolarHBondContact OG-NH1 2.85Å; T207-R211 HydrophobicContact CG2-CG 4.47Å; T207-R211 VanDerWaalsContact CG2-CZ 3.41Å; T207-R211 WeakPolarHBondContact O-CB 3.28Å; T207-R211 VanDerWaalsContact O-CG 3.31Å; T207-R211 WeakPolarHBondContact O-CG 3.26Å; T207-R211 PolarHBondContact O-N 3.43Å; C208-R211 PolarHBondContact O-N 3.05Å; R211-K213 VanDerWaalsContact C-N 3.33Å; R211-E214 PolarHBondContact O-N 3.4Å; R211-R215 WeakPolarHBondContact O-CB 3.31Å; R211-R215 PolarHBondContact O-N 3.24Å; R211-A256 VanDerWaalsContact CZ-O 3.25Å; R211-A256 PolarHBondContact NH1-O 2.94Å; R211-A256 PolarHBondContact NH2-O 3.38Å; R211-D258 PolarHBondContact NH2-O 3.16Å
212	L	91.5	Very high	90.7	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-43.4	175.1	-168.8	90.9	0	0	0	111	I78 A79 C208 H209 E210 R215 C216 E220 I223	I78-L212 HydrophobicContact CB-CD1 4.47Å; I78-L212 HydrophobicContact CG2-CD1 3.41Å; I78-L212 VanDerWaalsContact CG2-CD1 3.41Å; A79-L212 HydrophobicContact CB-CB 4.11Å; A79-L212 HydrophobicContact CB-CD1 4.16Å; C208-L212 VanDerWaalsContact O-CB 3.23Å; C208-L212 WeakPolarHBondContact O-CB 3.22Å; C208-L212 PolarHBondContact O-N 3.47Å; H209-L212 WeakPolarHBondContact O-CB 3.49Å; H209-L212 PolarHBondContact O-N 3.25Å; E210-L212 VanDerWaalsContact C-N 3.27Å; E210-L212 PolarHBondContact O-N 3.24Å; L212-R215 PolarHBondContact O-N 3.05Å; L212-C216 PolarHBondContact O-N 3.04Å; L212-E220 HydrophobicContact CD1-CB 4.1Å; L212-E220 HydrophobicContact CD2-CB 4.5Å; L212-E220 WeakPolarHBondContact CD2-O 3.3Å; L212-E220 HydrophobicContact CG-CB 4.33Å; L212-I223 HydrophobicContact CD1-CD1 4.35Å; L212-I223 HydrophobicContact CD2-CB 3.93Å; L212-I223 HydrophobicContact CD2-CD1 4.32Å; L212-I223 HydrophobicContact CD2-CG2 4.41Å
213	K	89.5	Confident	90.4	Very high	132 Å²	132	60.5 Å²	60.5	57%	0.574	29%	0.286	S	S	*	.	H	α-helix	trans	-64.6	-44.7	176.8	-70.4	173.2	-179.4	178.4	0	111.1	H209 E210 R211 R215 C216	H209-K213 WeakPolarHBondContact CE1-CE 3.47Å; H209-K213 PolarHBondContact CE1-NZ 3.19Å; H209-K213 WeakPolarHBondContact NE2-CE 3.31Å; H209-K213 WeakPolarHBondContact O-CG 3.36Å; H209-K213 PolarHBondContact O-N 3.41Å; H209-K213 VanDerWaalsContact O-N 3.14Å; E210-K213 WeakPolarHBondContact O-CB 3.34Å; E210-K213 PolarHBondContact O-N 3Å; E210-K213 VanDerWaalsContact O-N 3.1Å; R211-K213 VanDerWaalsContact C-N 3.33Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 2.87Å; K213-C216 PolarHBondContact O-N 3.43Å; K213-C216 VanDerWaalsContact O-N 3.17Å; K213-C216 PolarHBondContact O-SG 3.47Å
214	E	89.2	Confident	90.3	Very high	152 Å²	152	63.5 Å²	63.5	71%	0.71	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-40	176.7	-67.8	176.6	173	0	0	112.5	E210 R211 C216	E210-E214 PolarHBondContact O-N 2.92Å; E210-E214 VanDerWaalsContact O-N 3.08Å; R211-E214 PolarHBondContact O-N 3.4Å; E214-C216 PolarHBondContact O-N 2.89Å; E214-C216 PolarHBondContact O-SG 3.32Å
215	R	85.8	Confident	90.2	Very high	98 Å²	98	64.2 Å²	64.2	37%	0.37	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-22	178	-173.8	166.2	73.4	168.4	-6.2	113.5	R211 L212 K213 R217 E220	R211-R215 WeakPolarHBondContact O-CB 3.31Å; R211-R215 PolarHBondContact O-N 3.24Å; L212-R215 PolarHBondContact O-N 3.05Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 2.87Å; R215-R217 PolarHBondContact O-N 2.92Å; R215-E220 IonicContact CZ-OE1 3.57Å; R215-E220 IonicContact CZ-OE2 3.12Å; R215-E220 IonicContact NE-OE2 3.05Å; R215-E220 PolarHBondContact NE-OE2 3.46Å; R215-E220 IonicContact NH2-OE1 2.85Å; R215-E220 PolarHBondContact NH2-OE1 3.2Å; R215-E220 IonicContact NH2-OE2 2.6Å; R215-E220 PolarHBondContact NH2-OE2 2.93Å
216	C	79.4	Confident	90.1	Very high	78 Å²	78	69.6 Å²	69.6	53%	0.527	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	29.7	171.2	-67.3	0	0	0	0	115.9	L212 K213 E214 E218	L212-C216 PolarHBondContact O-N 3.04Å; K213-C216 PolarHBondContact O-N 3.43Å; K213-C216 VanDerWaalsContact O-N 3.17Å; K213-C216 PolarHBondContact O-SG 3.47Å; E214-C216 PolarHBondContact O-N 2.89Å; E214-C216 PolarHBondContact O-SG 3.32Å; C216-E218 PolarHBondContact O-N 3.38Å
217	R	83.8	Confident	90.1	Very high	58 Å²	58	66.7 Å²	66.7	22%	0.219	32%	0.316	C	S	.	.			trans	-75	123.7	175.2	-178.2	179.6	-76.2	157.5	-11.4	109.8	R215 E219 E220 K221	R215-R217 PolarHBondContact O-N 2.92Å; R217-E219 VanDerWaalsContact C-N 3.33Å; R217-E219 WeakPolarHBondContact CD-OE2 3.47Å; R217-E219 WeakPolarHBondContact CG-OE2 3.18Å; R217-E219 PolarHBondContact O-N 3.06Å; R217-E220 HydrophobicContact CB-CB 4.32Å; R217-E220 HydrophobicContact CB-CG 4.23Å; R217-E220 WeakPolarHBondContact CD-OE1 3.5Å; R217-E220 HydrophobicContact CG-CG 4.25Å; R217-E220 IonicContact CZ-OE1 2.72Å; R217-E220 IonicContact NE-OE1 4Å; R217-E220 IonicContact NH1-OE1 2.85Å; R217-E220 PolarHBondContact NH1-OE1 2.83Å; R217-E220 PolarHBondContact O-N 3.49Å; R217-K221 PolarHBondContact O-N 3.32Å
218	E	83.6	Confident	90.2	Very high	124 Å²	124	65.6 Å²	65.6	58%	0.579	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-51.2	-45.4	-174.5	-67.4	-56	144.4	0	0	114.1	C216 E220 K221	C216-E218 PolarHBondContact O-N 3.38Å; E218-E220 PolarHBondContact O-N 3.3Å; E218-K221 PolarHBondContact O-N 3.18Å; E218-K221 IonicContact OE1-NZ 2.66Å; E218-K221 PolarHBondContact OE1-NZ 2.73Å; E218-K221 WeakPolarHBondContact OE2-CE 3.49Å; E218-K221 IonicContact OE2-NZ 2.75Å; E218-K221 PolarHBondContact OE2-NZ 3.16Å
219	E	83.3	Confident	90.3	Very high	22 Å²	22	69.3 Å²	69.3	10%	0.103	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-67.9	-20.9	-178	-57.5	89	161.1	0	0	113.4	R106 N112 Y118 R217	R106-E219 IonicContact CZ-OE1 3.22Å; R106-E219 VanDerWaalsContact CZ-OE1 3.22Å; R106-E219 IonicContact CZ-OE2 3.43Å; R106-E219 IonicContact NE-OE1 2.76Å; R106-E219 PolarHBondContact NE-OE1 2.85Å; R106-E219 IonicContact NE-OE2 3.4Å; R106-E219 PolarHBondContact NE-OE2 2.96Å; R106-E219 VanDerWaalsContact NH2-CD 3.32Å; R106-E219 IonicContact NH2-OE1 2.83Å; R106-E219 PolarHBondContact NH2-OE1 3.21Å; R106-E219 IonicContact NH2-OE2 2.97Å; R106-E219 PolarHBondContact NH2-OE2 3.27Å; N112-E219 WeakPolarHBondContact ND2-CG 3.32Å; N112-E219 PolarHBondContact ND2-OE1 3.34Å; Y118-E219 HydrophobicContact CD2-CB 4.28Å; Y118-E219 VanDerWaalsContact CD2-O 3.29Å; Y118-E219 WeakPolarHBondContact CD2-O 3.28Å; R217-E219 VanDerWaalsContact C-N 3.33Å; R217-E219 WeakPolarHBondContact CD-OE2 3.47Å; R217-E219 WeakPolarHBondContact CG-OE2 3.18Å; R217-E219 PolarHBondContact O-N 3.06Å
220	E	83.5	Confident	90.4	Very high	6 Å²	6	69.2 Å²	69.2	3%	0.028	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-98.1	-11.6	-173.2	-64.2	175.6	177.3	0	0	112.7	Y118 L212 R215 R217 E218 I222 I223	Y118-E220 HydrophobicContact CE2-CG 4.26Å; L212-E220 HydrophobicContact CD1-CB 4.1Å; L212-E220 HydrophobicContact CD2-CB 4.5Å; L212-E220 WeakPolarHBondContact CD2-O 3.3Å; L212-E220 HydrophobicContact CG-CB 4.33Å; R215-E220 IonicContact CZ-OE1 3.57Å; R215-E220 IonicContact CZ-OE2 3.12Å; R215-E220 IonicContact NE-OE2 3.05Å; R215-E220 PolarHBondContact NE-OE2 3.46Å; R215-E220 IonicContact NH2-OE1 2.85Å; R215-E220 PolarHBondContact NH2-OE1 3.2Å; R215-E220 IonicContact NH2-OE2 2.6Å; R215-E220 PolarHBondContact NH2-OE2 2.93Å; R217-E220 HydrophobicContact CB-CB 4.32Å; R217-E220 HydrophobicContact CB-CG 4.23Å; R217-E220 WeakPolarHBondContact CD-OE1 3.5Å; R217-E220 HydrophobicContact CG-CG 4.25Å; R217-E220 IonicContact CZ-OE1 2.72Å; R217-E220 IonicContact NE-OE1 4Å; R217-E220 IonicContact NH1-OE1 2.85Å; R217-E220 PolarHBondContact NH1-OE1 2.83Å; R217-E220 PolarHBondContact O-N 3.49Å; E218-E220 PolarHBondContact O-N 3.3Å; E220-I222 PolarHBondContact O-N 2.93Å; E220-I222 VanDerWaalsContact O-N 3.1Å; E220-I223 HydrophobicContact CB-CD1 3.75Å; E220-I223 HydrophobicContact CB-CG1 4.46Å; E220-I223 HydrophobicContact CG-CD1 3.9Å; E220-I223 WeakPolarHBondContact O-CB 3.42Å; E220-I223 WeakPolarHBondContact O-CG1 3.31Å; E220-I223 PolarHBondContact O-N 3.38Å
221	K	81.8	Confident	90.6	Very high	125 Å²	125	63.6 Å²	63.6	54%	0.543	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	179.5	-69.7	-179.5	-177.9	169	0	113.7	R217 E218	R217-K221 PolarHBondContact O-N 3.32Å; E218-K221 PolarHBondContact O-N 3.18Å; E218-K221 IonicContact OE1-NZ 2.66Å; E218-K221 PolarHBondContact OE1-NZ 2.73Å; E218-K221 WeakPolarHBondContact OE2-CE 3.49Å; E218-K221 IonicContact OE2-NZ 2.75Å; E218-K221 PolarHBondContact OE2-NZ 3.16Å
222	I	87.4	Confident	90.8	Very high	99 Å²	99	62.8 Å²	62.8	51%	0.508	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1	-179.4	61.2	173.9	0	0	0	113.3	Y118 Q119 E220 P224	Y118-I222 VanDerWaalsContact O-CD1 3.31Å; Y118-I222 WeakPolarHBondContact O-CD1 3.24Å; Q119-I222 HydrophobicContact CG-CD1 4.33Å; E220-I222 PolarHBondContact O-N 2.93Å; E220-I222 VanDerWaalsContact O-N 3.1Å; I222-P224 VanDerWaalsContact O-CD 3.28Å; I222-P224 WeakPolarHBondContact O-CD 3.36Å
223	I	91.8	Very high	91.2	Very high	8 Å²	8	66.4 Å²	66.4	4%	0.041	32%	0.322	C	S	.	.			trans	-74.6	117.6	179.8	-60.4	172.7	0	0	0	108.9	I78 Y118 L212 E220 Y227 L228	I78-I223 HydrophobicContact CD1-CD1 4.23Å; Y118-I223 HydrophobicContact CD1-CD1 4.17Å; Y118-I223 HydrophobicContact CD1-CG1 3.81Å; Y118-I223 HydrophobicContact CE1-CD1 3.49Å; Y118-I223 VanDerWaalsContact CE1-CD1 3.49Å; Y118-I223 HydrophobicContact CE1-CG1 3.59Å; Y118-I223 HydrophobicContact CE2-CD1 4.04Å; Y118-I223 HydrophobicContact CG-CG1 4.42Å; Y118-I223 VanDerWaalsContact CZ-CD1 3.41Å; Y118-I223 WeakPolarHBondContact OH-CD1 3.18Å; L212-I223 HydrophobicContact CD1-CD1 4.35Å; L212-I223 HydrophobicContact CD2-CB 3.93Å; L212-I223 HydrophobicContact CD2-CD1 4.32Å; L212-I223 HydrophobicContact CD2-CG2 4.41Å; E220-I223 HydrophobicContact CB-CD1 3.75Å; E220-I223 HydrophobicContact CB-CG1 4.46Å; E220-I223 HydrophobicContact CG-CD1 3.9Å; E220-I223 WeakPolarHBondContact O-CB 3.42Å; E220-I223 WeakPolarHBondContact O-CG1 3.31Å; E220-I223 PolarHBondContact O-N 3.38Å; I223-Y227 HydrophobicContact CG2-CD1 3.54Å; I223-Y227 HydrophobicContact CG2-CE1 4.32Å; I223-Y227 HydrophobicContact CG2-CG 4.12Å; I223-L228 HydrophobicContact CG2-CD2 4.15Å; I223-L228 HydrophobicContact CG2-CG 4.17Å
224	P	94.3	Very high	91.6	Very high	64 Å²	64	60.5 Å²	60.5	42%	0.416	30%	0.296	S	S	.	.			trans	-81.2	160.2	-179.8	36.9	-37.5	0	0	0	111.3	I222 E226 Y227	I222-P224 VanDerWaalsContact O-CD 3.28Å; I222-P224 WeakPolarHBondContact O-CD 3.36Å; P224-E226 VanDerWaalsContact C-N 3.27Å; P224-E226 WeakPolarHBondContact CB-OE2 3.35Å; P224-E226 PolarHBondContact O-N 2.85Å; P224-Y227 WeakPolarHBondContact O-CB 3.38Å; P224-Y227 PolarHBondContact O-N 2.79Å; P224-Y227 VanDerWaalsContact O-N 3.16Å
225	L	96.3	Very high	92.1	Very high	42 Å²	42	53.3 Å²	53.3	22%	0.22	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-39.5	179.8	176.5	62	0	0	0	111.4	P205 H209 Y227 L228 E229	P205-L225 HydrophobicContact CB-CD1 3.88Å; P205-L225 WeakPolarHBondContact O-CD1 3.04Å; H209-L225 HydrophobicContact CB-CD1 3.86Å; L225-Y227 PolarHBondContact O-N 2.88Å; L225-L228 CarbonylContact O-C 3.56Å; L225-L228 WeakPolarHBondContact O-CA 3.31Å; L225-L228 WeakPolarHBondContact O-CB 3.46Å; L225-L228 PolarHBondContact O-N 3.33Å; L225-E229 HydrophobicContact CG-CG 4.34Å; L225-E229 PolarHBondContact O-N 2.96Å
226	E	97.4	Very high	92.7	Very high	125 Å²	125	49.8 Å²	49.8	58%	0.584	25%	0.251	S	S	*	.	H	α-helix	trans	-59.6	-31.9	-179.8	-61.3	77.6	-173.9	0	0	111.6	P224 A230	P224-E226 VanDerWaalsContact C-N 3.27Å; P224-E226 WeakPolarHBondContact CB-OE2 3.35Å; P224-E226 PolarHBondContact O-N 2.85Å; E226-A230 PolarHBondContact O-N 3.38Å
227	Y	97.1	Very high	93.6	Very high	27 Å²	27	47.3 Å²	47.3	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-42.1	173.3	179.5	-89.7	0	0	0	111.2	I78 N165 I223 P224 L225 E229 A230 I231	I78-Y227 HydrophobicContact CD1-CD1 4.49Å; I78-Y227 HydrophobicContact CD1-CE1 3.75Å; N165-Y227 WeakPolarHBondContact ND2-CE2 3.41Å; I223-Y227 HydrophobicContact CG2-CD1 3.54Å; I223-Y227 HydrophobicContact CG2-CE1 4.32Å; I223-Y227 HydrophobicContact CG2-CG 4.12Å; P224-Y227 WeakPolarHBondContact O-CB 3.38Å; P224-Y227 PolarHBondContact O-N 2.79Å; P224-Y227 VanDerWaalsContact O-N 3.16Å; L225-Y227 PolarHBondContact O-N 2.88Å; Y227-E229 VanDerWaalsContact C-N 3.33Å; Y227-A230 PolarHBondContact O-N 3.13Å; Y227-I231 HydrophobicContact CD1-CG1 4.1Å; Y227-I231 HydrophobicContact CE1-CD1 4.24Å; Y227-I231 HydrophobicContact CE1-CG1 3.7Å; Y227-I231 VanDerWaalsContact O-CG1 3.28Å; Y227-I231 WeakPolarHBondContact O-CG1 3.38Å; Y227-I231 PolarHBondContact O-N 3.16Å
228	L	97.9	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-34.5	177.5	-61.7	174.7	0	0	0	111.7	N77 I78 P205 C208 H209 I223 L225 I231 H232	N77-L228 PolarHBondContact ND2-O 3.3Å; I78-L228 HydrophobicContact CB-CD2 3.88Å; I78-L228 HydrophobicContact CD1-CD2 4.27Å; I78-L228 HydrophobicContact CG1-CD2 4.37Å; P205-L228 HydrophobicContact CB-CB 4.25Å; C208-L228 HydrophobicContact CB-CD1 4.27Å; H209-L228 HydrophobicContact CB-CD1 3.66Å; I223-L228 HydrophobicContact CG2-CD2 4.15Å; I223-L228 HydrophobicContact CG2-CG 4.17Å; L225-L228 CarbonylContact O-C 3.56Å; L225-L228 WeakPolarHBondContact O-CA 3.31Å; L225-L228 WeakPolarHBondContact O-CB 3.46Å; L225-L228 PolarHBondContact O-N 3.33Å; L228-I231 PolarHBondContact O-N 2.89Å; L228-H232 VanDerWaalsContact O-CB 3.31Å; L228-H232 WeakPolarHBondContact O-CB 3.46Å; L228-H232 PolarHBondContact O-N 3.17Å
229	E	98.6	Very high	95	Very high	78 Å²	78	38.8 Å²	38.8	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-63.3	-45.3	172.8	-69.1	174.5	161	0	0	111.6	P205 L225 Y227 I231 H232 Q233	P205-E229 HydrophobicContact CB-CB 4.44Å; P205-E229 HydrophobicContact CB-CG 3.6Å; P205-E229 HydrophobicContact CG-CB 4.34Å; P205-E229 HydrophobicContact CG-CG 3.79Å; L225-E229 HydrophobicContact CG-CG 4.34Å; L225-E229 PolarHBondContact O-N 2.96Å; Y227-E229 VanDerWaalsContact C-N 3.33Å; E229-I231 PolarHBondContact O-N 3.28Å; E229-H232 WeakPolarHBondContact O-CB 3.47Å; E229-H232 PolarHBondContact O-N 3.22Å; E229-Q233 PolarHBondContact O-N 3.44Å
230	A	98.5	Very high	95.7	Very high	37 Å²	37	40.9 Å²	40.9	31%	0.306	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-44.1	175.9	0	0	0	0	0	112.2	E226 Y227 H232 Q233 L234	E226-A230 PolarHBondContact O-N 3.38Å; Y227-A230 PolarHBondContact O-N 3.13Å; A230-H232 VanDerWaalsContact C-N 3.35Å; A230-Q233 PolarHBondContact O-N 3.19Å; A230-L234 WeakPolarHBondContact O-CG 3.31Å; A230-L234 PolarHBondContact O-N 3.1Å; A230-L234 VanDerWaalsContact O-N 3.13Å
231	I	98.6	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-40.8	176	-65	-67.4	0	0	0	111.3	N77 I161 F162 N165 Y227 L228 E229 L234 Y235	N77-I231 WeakPolarHBondContact OD1-CG2 3.48Å; I161-I231 HydrophobicContact CG2-CD1 3.83Å; I161-I231 HydrophobicContact CG2-CG2 3.79Å; F162-I231 HydrophobicContact CD1-CD1 4Å; F162-I231 HydrophobicContact CE1-CD1 4.04Å; N165-I231 HydrophobicContact CB-CD1 3.85Å; Y227-I231 HydrophobicContact CD1-CG1 4.1Å; Y227-I231 HydrophobicContact CE1-CD1 4.24Å; Y227-I231 HydrophobicContact CE1-CG1 3.7Å; Y227-I231 VanDerWaalsContact O-CG1 3.28Å; Y227-I231 WeakPolarHBondContact O-CG1 3.38Å; Y227-I231 PolarHBondContact O-N 3.16Å; L228-I231 PolarHBondContact O-N 2.89Å; E229-I231 PolarHBondContact O-N 3.28Å; I231-L234 PolarHBondContact O-N 3.43Å; I231-Y235 HydrophobicContact CG2-CD2 3.97Å; I231-Y235 HydrophobicContact CG2-CE2 4.06Å; I231-Y235 WeakPolarHBondContact O-CD2 3.32Å; I231-Y235 PolarHBondContact O-N 3.41Å; I231-Y235 VanDerWaalsContact O-N 3.14Å
232	H	98.6	Very high	97.1	Very high	37 Å²	37	46 Å²	46	17%	0.171	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-48.4	175.5	177.2	88.8	0	0	0	110.6	S203 P205 L228 E229 A230 L234 Y235 E236	S203-H232 PolarHBondContact O-ND1 2.92Å; P205-H232 HydrophobicContact CG-CB 3.75Å; L228-H232 VanDerWaalsContact O-CB 3.31Å; L228-H232 WeakPolarHBondContact O-CB 3.46Å; L228-H232 PolarHBondContact O-N 3.17Å; E229-H232 WeakPolarHBondContact O-CB 3.47Å; E229-H232 PolarHBondContact O-N 3.22Å; A230-H232 VanDerWaalsContact C-N 3.35Å; H232-L234 VanDerWaalsContact C-N 3.29Å; H232-L234 PolarHBondContact O-N 2.99Å; H232-Y235 WeakPolarHBondContact O-CB 3.28Å; H232-Y235 PolarHBondContact O-N 3.42Å; H232-E236 IonicContact CE1-OE1 2.86Å; H232-E236 WeakPolarHBondContact NE2-CG 3.21Å; H232-E236 WeakPolarHBondContact O-CG 3.03Å; H232-E236 PolarHBondContact O-N 2.78Å
233	Q	98.6	Very high	97.5	Very high	83 Å²	83	46.2 Å²	46.2	39%	0.388	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-38.5	-179.7	-168.7	55.6	63.9	0	0	112.7	E229 A230 Y235 E236 D237	E229-Q233 PolarHBondContact O-N 3.44Å; A230-Q233 PolarHBondContact O-N 3.19Å; Q233-Y235 VanDerWaalsContact C-N 3.34Å; Q233-E236 PolarHBondContact O-N 2.86Å; Q233-D237 PolarHBondContact NE2-OD1 3.32Å; Q233-D237 WeakPolarHBondContact O-CB 3.24Å; Q233-D237 PolarHBondContact O-N 2.87Å
234	L	98.8	Very high	97.6	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-38.8	175.5	-70.7	170	0	0	0	112.4	I161 E164 N165 A230 I231 H232 W238	I161-L234 VanDerWaalsContact CD1-C 3.5Å; I161-L234 HydrophobicContact CD1-CB 3.68Å; I161-L234 HydrophobicContact CG2-CB 4.41Å; I161-L234 WeakPolarHBondContact O-CD1 3.41Å; E164-L234 HydrophobicContact CG-CD2 3.89Å; N165-L234 HydrophobicContact CB-CD1 3.58Å; A230-L234 WeakPolarHBondContact O-CG 3.31Å; A230-L234 PolarHBondContact O-N 3.1Å; A230-L234 VanDerWaalsContact O-N 3.13Å; I231-L234 PolarHBondContact O-N 3.43Å; H232-L234 VanDerWaalsContact C-N 3.29Å; H232-L234 PolarHBondContact O-N 2.99Å; L234-W238 VanDerWaalsContact O-CB 3.28Å; L234-W238 WeakPolarHBondContact O-CB 3.47Å; L234-W238 PolarHBondContact O-N 3.09Å; L234-W238 VanDerWaalsContact O-N 3.08Å
235	Y	98.7	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-43.3	174	-91.3	-67.1	0	0	0	112.1	E75 G76 R153 S157 I161 Y200 I231 H232 Q233 W238 L239	E75-Y235 HydrophobicContact CB-CE1 3.9Å; E75-Y235 HydrophobicContact CG-CE1 4.48Å; E75-Y235 PolarHBondContact OE2-OH 3.01Å; G76-Y235 WeakPolarHBondContact O-CE2 3.38Å; G76-Y235 PolarHBondContact O-OH 3.31Å; R153-Y235 PolarHBondContact NH1-OH 3.24Å; S157-Y235 WeakPolarHBondContact CB-OH 3.48Å; I161-Y235 HydrophobicContact CB-CE2 4.37Å; I161-Y235 HydrophobicContact CD1-CD1 3.94Å; I161-Y235 HydrophobicContact CD1-CD2 4.07Å; I161-Y235 HydrophobicContact CD1-CE1 4.19Å; I161-Y235 HydrophobicContact CD1-CE2 4.32Å; I161-Y235 HydrophobicContact CD1-CG 3.88Å; I161-Y235 HydrophobicContact CG1-CD1 4.18Å; I161-Y235 HydrophobicContact CG1-CD2 4.22Å; I161-Y235 HydrophobicContact CG1-CE1 3.9Å; I161-Y235 HydrophobicContact CG1-CE2 3.95Å; I161-Y235 HydrophobicContact CG1-CG 4.33Å; I161-Y235 HydrophobicContact CG2-CD2 4.04Å; I161-Y235 HydrophobicContact CG2-CE2 3.76Å; Y200-Y235 HydrophobicContact CD2-CD1 4.25Å; Y200-Y235 AromaticContact CE2-CD1 3.89Å; Y200-Y235 HydrophobicContact CE2-CD1 3.89Å; Y200-Y235 AromaticContact CE2-CG 3.9Å; Y200-Y235 HydrophobicContact CE2-CG 3.9Å; Y200-Y235 WeakPolarHBondContact OH-CB 3.3Å; I231-Y235 HydrophobicContact CG2-CD2 3.97Å; I231-Y235 HydrophobicContact CG2-CE2 4.06Å; I231-Y235 WeakPolarHBondContact O-CD2 3.32Å; I231-Y235 PolarHBondContact O-N 3.41Å; I231-Y235 VanDerWaalsContact O-N 3.14Å; H232-Y235 WeakPolarHBondContact O-CB 3.28Å; H232-Y235 PolarHBondContact O-N 3.42Å; Q233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-W238 HydrophobicContact CD1-CE3 4.06Å; Y235-W238 HydrophobicContact CD1-CZ3 4.33Å; Y235-W238 HydrophobicContact CE1-CE3 4.09Å; Y235-W238 AromaticContact CE1-CZ3 3.9Å; Y235-W238 HydrophobicContact CE1-CZ3 3.9Å; Y235-W238 PolarHBondContact O-N 2.79Å; Y235-L239 HydrophobicContact CD1-CD1 3.69Å; Y235-L239 HydrophobicContact CD1-CG 4.31Å; Y235-L239 HydrophobicContact CE1-CD1 4.07Å; Y235-L239 PolarHBondContact O-N 3.5Å
236	E	98.6	Very high	97.6	Very high	25 Å²	25	51.3 Å²	51.3	12%	0.117	26%	0.258	C	S	.	.	I	π-helix	trans	-60.4	-46	176.3	-70.6	-60.8	114.3	0	0	111.6	Y200 Q202 H232 Q233 W238 I240 K241	Y200-E236 WeakPolarHBondContact CE1-OE1 3.22Å; Y200-E236 PolarHBondContact OH-OE1 2.96Å; Q202-E236 PolarHBondContact NE2-OE1 3.13Å; Q202-E236 PolarHBondContact NE2-OE2 2.89Å; H232-E236 IonicContact CE1-OE1 2.86Å; H232-E236 WeakPolarHBondContact NE2-CG 3.21Å; H232-E236 WeakPolarHBondContact O-CG 3.03Å; H232-E236 PolarHBondContact O-N 2.78Å; Q233-E236 PolarHBondContact O-N 2.86Å; E236-W238 VanDerWaalsContact C-N 3.29Å; E236-W238 PolarHBondContact O-N 3.45Å; E236-I240 WeakPolarHBondContact O-CB 3.16Å; E236-I240 PolarHBondContact O-N 2.93Å; E236-I240 VanDerWaalsContact O-N 3.16Å; E236-K241 PolarHBondContact O-N 3.32Å
237	D	98.6	Very high	97.6	Very high	26 Å²	26	46.5 Å²	46.5	14%	0.139	24%	0.238	C	C	.	.	I	π-helix	trans	-65.7	-33.6	179.1	-68	-14.3	0	0	0	111.9	Q233 K241 K242 T243 S244	Q233-D237 PolarHBondContact NE2-OD1 3.32Å; Q233-D237 WeakPolarHBondContact O-CB 3.24Å; Q233-D237 PolarHBondContact O-N 2.87Å; D237-K241 WeakPolarHBondContact OD1-CD 3.49Å; D237-K241 IonicContact OD1-NZ 3.98Å; D237-K241 PolarHBondContact OD1-NZ 2.99Å; D237-K242 WeakPolarHBondContact O-CA 3.38Å; D237-K242 PolarHBondContact O-N 3.21Å; D237-T243 PolarHBondContact O-N 3.47Å; D237-T243 PolarHBondContact O-OG1 3.47Å; D237-S244 PolarHBondContact O-N 2.93Å; D237-S244 PolarHBondContact O-OG 3.19Å
238	W	98.6	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-81.1	-55.6	-179.5	178.6	35.3	0	0	0	113.4	Y160 I161 L234 Y235 E236 K242 S244 N246 V247	Y160-W238 HydrophobicContact CD2-CD2 4.3Å; Y160-W238 AromaticContact CD2-CE2 3.68Å; Y160-W238 AromaticContact CD2-CZ2 3.85Å; Y160-W238 HydrophobicContact CD2-CZ2 3.85Å; Y160-W238 AromaticContact CD2-NE1 3.71Å; Y160-W238 HydrophobicContact CE2-CZ2 4.42Å; I161-W238 HydrophobicContact CD1-CE3 3.89Å; I161-W238 HydrophobicContact CG1-CE3 4.08Å; I161-W238 HydrophobicContact CG1-CZ3 4.28Å; L234-W238 VanDerWaalsContact O-CB 3.28Å; L234-W238 WeakPolarHBondContact O-CB 3.47Å; L234-W238 PolarHBondContact O-N 3.09Å; L234-W238 VanDerWaalsContact O-N 3.08Å; Y235-W238 HydrophobicContact CD1-CE3 4.06Å; Y235-W238 HydrophobicContact CD1-CZ3 4.33Å; Y235-W238 HydrophobicContact CE1-CE3 4.09Å; Y235-W238 AromaticContact CE1-CZ3 3.9Å; Y235-W238 HydrophobicContact CE1-CZ3 3.9Å; Y235-W238 PolarHBondContact O-N 2.79Å; E236-W238 VanDerWaalsContact C-N 3.29Å; E236-W238 PolarHBondContact O-N 3.45Å; W238-K242 WeakPolarHBondContact O-CA 3.36Å; W238-S244 VanDerWaalsContact CA-OG 3.24Å; W238-S244 WeakPolarHBondContact CA-OG 3.37Å; W238-S244 PolarHBondContact N-OG 3.43Å; W238-N246 PolarHBondContact NE1-O 2.93Å; W238-V247 VanDerWaalsContact O-CG2 3.27Å; W238-V247 WeakPolarHBondContact O-CG2 3.32Å
239	L	98.4	Very high	97.5	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	25%	0.25	C	C	.	.	I	π-helix	trans	-94.5	-28.9	-166.9	-62.7	-177.2	0	0	0	113.4	E75 I198 Y200 Y235 V247 V251	E75-L239 HydrophobicContact CB-CD1 4.01Å; I198-L239 HydrophobicContact CD1-CD2 4.26Å; I198-L239 HydrophobicContact CG2-CD1 4.16Å; I198-L239 HydrophobicContact CG2-CD2 4.25Å; Y200-L239 HydrophobicContact CD1-CB 4.36Å; Y200-L239 HydrophobicContact CD1-CD1 4.37Å; Y200-L239 HydrophobicContact CD2-CD1 3.81Å; Y200-L239 HydrophobicContact CG-CD1 3.75Å; Y235-L239 HydrophobicContact CD1-CD1 3.69Å; Y235-L239 HydrophobicContact CD1-CG 4.31Å; Y235-L239 HydrophobicContact CE1-CD1 4.07Å; Y235-L239 PolarHBondContact O-N 3.5Å; L239-V247 HydrophobicContact CD2-CG1 4.17Å; L239-V251 HydrophobicContact CB-CG1 4.29Å; L239-V251 HydrophobicContact CD2-CG2 4.15Å
240	I	98.1	Very high	97.5	Very high	65 Å²	65	47.3 Å²	47.3	33%	0.333	25%	0.254	S	S	.	.	I	π-helix	trans	-96.8	-64	-177.9	-54.7	-57.7	0	0	0	110.6	Y200 E236 K242 V253	Y200-I240 HydrophobicContact CD1-CD1 3.85Å; Y200-I240 HydrophobicContact CD1-CG1 4.3Å; Y200-I240 HydrophobicContact CE1-CD1 4.04Å; Y200-I240 HydrophobicContact CE1-CG1 4.03Å; E236-I240 WeakPolarHBondContact O-CB 3.16Å; E236-I240 PolarHBondContact O-N 2.93Å; E236-I240 VanDerWaalsContact O-N 3.16Å; I240-K242 VanDerWaalsContact C-N 3.33Å; I240-V253 HydrophobicContact CD1-CB 4.46Å; I240-V253 HydrophobicContact CD1-CG1 4.19Å; I240-V253 HydrophobicContact CD1-CG2 3.43Å; I240-V253 VanDerWaalsContact CD1-CG2 3.43Å
241	K	97.7	Very high	97.4	Very high	111 Å²	111	47.2 Å²	47.2	48%	0.483	25%	0.25	S	C	.	.	S	Bend	trans	-74.9	-26.5	-176.9	-55.4	179.7	-165.5	161.4	0	112.3	E236 D237 T243	E236-K241 PolarHBondContact O-N 3.32Å; D237-K241 WeakPolarHBondContact OD1-CD 3.49Å; D237-K241 IonicContact OD1-NZ 3.98Å; D237-K241 PolarHBondContact OD1-NZ 2.99Å; K241-T243 VanDerWaalsContact C-N 3.25Å; K241-T243 HydrophobicContact CB-CG2 3.94Å; K241-T243 PolarHBondContact O-N 3.16Å
242	K	96.5	Very high	97.4	Very high	127 Å²	127	48.8 Å²	48.8	55%	0.552	26%	0.258	S	S	*	.			trans	55.5	39.7	-178.9	-52.9	-179.4	-177	175.5	0	112.5	D237 W238 I240 V247	D237-K242 WeakPolarHBondContact O-CA 3.38Å; D237-K242 PolarHBondContact O-N 3.21Å; W238-K242 WeakPolarHBondContact O-CA 3.36Å; I240-K242 VanDerWaalsContact C-N 3.33Å; K242-V247 HydrophobicContact CB-CG2 4.48Å; K242-V247 HydrophobicContact CD-CG2 4.34Å; K242-V247 HydrophobicContact CG-CG2 4.03Å
243	T	96	Very high	97.4	Very high	104 Å²	104	49.5 Å²	49.5	64%	0.638	27%	0.265	S	S	*	.			trans	-101.8	-18.2	-176.3	51.7	0	0	0	0	113.4	D237 K241	D237-T243 PolarHBondContact O-N 3.47Å; D237-T243 PolarHBondContact O-OG1 3.47Å; K241-T243 VanDerWaalsContact C-N 3.25Å; K241-T243 HydrophobicContact CB-CG2 3.94Å; K241-T243 PolarHBondContact O-N 3.16Å
244	S	93.9	Very high	97.3	Very high	36 Å²	36	45.6 Å²	45.6	25%	0.252	25%	0.246	S	C	.	.	S	Bend	trans	-94.8	-53	-173.7	58.3	0	0	0	0	113.9	D237 W238	D237-S244 PolarHBondContact O-N 2.93Å; D237-S244 PolarHBondContact O-OG 3.19Å; W238-S244 VanDerWaalsContact CA-OG 3.24Å; W238-S244 WeakPolarHBondContact CA-OG 3.37Å; W238-S244 PolarHBondContact N-OG 3.43Å
245	F	96.4	Very high	97.2	Very high	55 Å²	55	48.6 Å²	48.6	24%	0.241	27%	0.267	C	S	.	.	S	Bend	trans	-142.7	160.8	-173.5	-57	-74.2	0	0	0	111.9	Y160 E164 V247	Y160-F245 HydrophobicContact CD1-CB 4.05Å; Y160-F245 AromaticContact CD1-CD1 3.62Å; Y160-F245 HydrophobicContact CD1-CD1 3.62Å; Y160-F245 AromaticContact CD1-CD2 3.69Å; Y160-F245 HydrophobicContact CD1-CD2 3.69Å; Y160-F245 AromaticContact CD1-CE1 3.92Å; Y160-F245 HydrophobicContact CD1-CE1 3.92Å; Y160-F245 AromaticContact CD1-CE2 3.98Å; Y160-F245 HydrophobicContact CD1-CE2 3.98Å; Y160-F245 AromaticContact CD1-CG 3.5Å; Y160-F245 HydrophobicContact CD1-CG 3.5Å; Y160-F245 VanDerWaalsContact CD1-CG 3.5Å; Y160-F245 HydrophobicContact CD1-CZ 4.09Å; Y160-F245 HydrophobicContact CD2-CB 3.79Å; Y160-F245 HydrophobicContact CD2-CD2 4.21Å; Y160-F245 HydrophobicContact CD2-CG 4.06Å; Y160-F245 HydrophobicContact CE1-CB 4.07Å; Y160-F245 AromaticContact CE1-CD1 3.67Å; Y160-F245 HydrophobicContact CE1-CD1 3.67Å; Y160-F245 HydrophobicContact CE1-CD2 4.46Å; Y160-F245 HydrophobicContact CE1-CE1 4.22Å; Y160-F245 AromaticContact CE1-CG 3.81Å; Y160-F245 HydrophobicContact CE1-CG 3.81Å; Y160-F245 HydrophobicContact CE2-CB 3.76Å; Y160-F245 HydrophobicContact CE2-CG 4.29Å; Y160-F245 HydrophobicContact CG-CB 3.94Å; Y160-F245 HydrophobicContact CG-CD1 4.27Å; Y160-F245 AromaticContact CG-CD2 3.56Å; Y160-F245 HydrophobicContact CG-CD2 3.56Å; Y160-F245 HydrophobicContact CG-CE2 4.09Å; Y160-F245 AromaticContact CG-CG 3.65Å; Y160-F245 HydrophobicContact CG-CG 3.65Å; E164-F245 HydrophobicContact CG-CE2 4.27Å; E164-F245 HydrophobicContact CG-CZ 4.21Å; F245-V247 PolarHBondContact O-N 3.05Å
246	N	95.1	Very high	97	Very high	130 Å²	130	48.6 Å²	48.6	70%	0.695	27%	0.267	S	S	*	.			trans	-62.2	136.4	174.3	-175.3	49.2	0	0	0	111.2	W238	W238-N246 PolarHBondContact NE1-O 2.93Å
247	V	97.2	Very high	96.8	Very high	25 Å²	25	51 Å²	51	15%	0.152	28%	0.28	C	S	.	.			trans	-98.4	118.1	176.7	-169.9	0	0	0	0	108.4	I198 W238 L239 K242 F245 A249 V251	I198-V247 HydrophobicContact CD1-CG1 3.86Å; W238-V247 VanDerWaalsContact O-CG2 3.27Å; W238-V247 WeakPolarHBondContact O-CG2 3.32Å; L239-V247 HydrophobicContact CD2-CG1 4.17Å; K242-V247 HydrophobicContact CB-CG2 4.48Å; K242-V247 HydrophobicContact CD-CG2 4.34Å; K242-V247 HydrophobicContact CG-CG2 4.03Å; F245-V247 PolarHBondContact O-N 3.05Å; V247-A249 VanDerWaalsContact C-N 3.31Å; V247-A249 VanDerWaalsContact CG1-O 3.28Å; V247-A249 WeakPolarHBondContact CG1-O 3.33Å; V247-A249 PolarHBondContact O-N 3.38Å; V247-V251 HydrophobicContact CG1-CG2 3.65Å
248	P	95.8	Very high	96.5	Very high	39 Å²	39	53 Å²	53	25%	0.253	29%	0.291	S	S	.	.	S	Bend	trans	-78.1	-10.2	-168.4	31.2	-37.1	0	0	0	114.7	Y156 V195 I198	Y156-P248 HydrophobicContact CD1-CG 4.26Å; Y156-P248 HydrophobicContact CD2-CG 4.03Å; Y156-P248 HydrophobicContact CE1-CB 4.22Å; Y156-P248 HydrophobicContact CE1-CG 4.12Å; Y156-P248 HydrophobicContact CE2-CB 4.28Å; Y156-P248 HydrophobicContact CE2-CG 3.87Å; Y156-P248 HydrophobicContact CG-CG 4.23Å; V195-P248 HydrophobicContact CG1-CB 3.78Å; V195-P248 HydrophobicContact CG1-CG 3.92Å; I198-P248 HydrophobicContact CD1-CG 4.07Å
249	A	96.7	Very high	96.2	Very high	13 Å²	13	57 Å²	57	11%	0.107	31%	0.313	C	S	.	.	S	Bend	trans	-153.5	165.5	-179.9	0	0	0	0	0	111.1	V195 I198 V247	V195-A249 HydrophobicContact CB-CB 4.34Å; V195-A249 HydrophobicContact CG1-CB 3.96Å; V195-A249 HydrophobicContact CG2-CB 3.75Å; I198-A249 HydrophobicContact CG1-CB 4.3Å; V247-A249 VanDerWaalsContact C-N 3.31Å; V247-A249 VanDerWaalsContact CG1-O 3.28Å; V247-A249 WeakPolarHBondContact CG1-O 3.33Å; V247-A249 PolarHBondContact O-N 3.38Å
250	P	97.4	Very high	95.7	Very high	70 Å²	70	61.4 Å²	61.4	46%	0.455	34%	0.336	S	S	.	.			trans	-54.4	149.6	170	-24.3	34.6	0	0	0	112.3	I198 S278	I198-P250 PolarHBondContact N-O 3.26Å; P250-S278 WeakPolarHBondContact CB-OG 3.12Å
251	V	98.1	Very high	95.4	Very high	35 Å²	35	65 Å²	65	21%	0.212	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.8	-178.9	-175.3	0	0	0	0	109.2	I198 L239 V247 V253	I198-V251 HydrophobicContact CB-CG2 4.33Å; I198-V251 CarbonylContact O-C 3.53Å; I198-V251 VanDerWaalsContact O-CA 3.28Å; I198-V251 WeakPolarHBondContact O-CA 3.31Å; L239-V251 HydrophobicContact CB-CG1 4.29Å; L239-V251 HydrophobicContact CD2-CG2 4.15Å; V247-V251 HydrophobicContact CG1-CG2 3.65Å; V251-V253 HydrophobicContact CG1-CG2 4.02Å
252	L	97.9	Very high	95.2	Very high	32 Å²	32	64.7 Å²	64.7	17%	0.168	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117	165.8	176.3	63.7	0	0	0	108.2	L197 I198 V199 Y200 I254 N270 K273 I274	L197-L252 HydrophobicContact CD1-CB 3.88Å; I198-L252 PolarHBondContact O-N 3.21Å; V199-L252 CarbonylContact C-O 3.58Å; V199-L252 WeakPolarHBondContact CA-O 3.48Å; V199-L252 HydrophobicContact CG2-CD2 4.43Å; Y200-L252 PolarHBondContact N-O 2.82Å; L252-I254 HydrophobicContact CD2-CD1 4.4Å; L252-I254 HydrophobicContact CG-CG1 4.29Å; L252-N270 HydrophobicContact CD2-CB 4.24Å; L252-K273 HydrophobicContact CD2-CB 4.4Å; L252-I274 HydrophobicContact CD2-CD1 4.36Å; L252-I274 HydrophobicContact CD2-CG1 3.65Å
253	V	97.9	Very high	95.1	Very high	53 Å²	53	59 Å²	59	32%	0.321	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.6	178.5	-173	0	0	0	0	108.8	Y200 Q202 I240 V251	Y200-V253 HydrophobicContact CD1-CG1 4.19Å; Y200-V253 HydrophobicContact CD1-CG2 4.44Å; Q202-V253 HydrophobicContact CB-CG1 3.89Å; I240-V253 HydrophobicContact CD1-CB 4.46Å; I240-V253 HydrophobicContact CD1-CG1 4.19Å; I240-V253 HydrophobicContact CD1-CG2 3.43Å; I240-V253 VanDerWaalsContact CD1-CG2 3.43Å; V251-V253 HydrophobicContact CG1-CG2 4.02Å
254	I	97.3	Very high	94.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.7	174.6	-59.1	-179.1	0	0	0	107.4	V199 Y200 L201 Q202 L252 A256 M263 Q266 Y267 N270 I274	V199-I254 HydrophobicContact CG1-CD1 3.68Å; V199-I254 HydrophobicContact CG1-CG1 4.17Å; Y200-I254 PolarHBondContact O-N 3.33Å; L201-I254 HydrophobicContact CD2-CB 3.99Å; L201-I254 HydrophobicContact CD2-CD1 4.41Å; L201-I254 HydrophobicContact CD2-CG2 4.35Å; Q202-I254 PolarHBondContact N-O 3.24Å; L252-I254 HydrophobicContact CD2-CD1 4.4Å; L252-I254 HydrophobicContact CG-CG1 4.29Å; I254-A256 PolarHBondContact O-N 3.2Å; I254-M263 HydrophobicContact CG2-CE 4.3Å; I254-Q266 HydrophobicContact CG2-CB 4.05Å; I254-Y267 HydrophobicContact CD1-CD1 4.5Å; I254-N270 HydrophobicContact CD1-CB 4.29Å; I254-I274 HydrophobicContact CD1-CD1 4.11Å
255	P	96.3	Very high	94.9	Very high	72 Å²	72	60 Å²	60	47%	0.468	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	129.9	170.9	-22.6	33.6	0	0	0	109.8
256	A	94.9	Very high	94.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.			trans	-129.8	24	-168.5	0	0	0	0	0	113.7	L201 Q202 S203 R211 I254 M263	L201-A256 HydrophobicContact CB-CB 4.03Å; Q202-A256 PolarHBondContact O-N 3.44Å; S203-A256 VanDerWaalsContact OG-CB 3.26Å; S203-A256 WeakPolarHBondContact OG-CB 3.29Å; S203-A256 PolarHBondContact OG-O 3.23Å; R211-A256 VanDerWaalsContact CZ-O 3.25Å; R211-A256 PolarHBondContact NH1-O 2.94Å; R211-A256 PolarHBondContact NH2-O 3.38Å; I254-A256 PolarHBondContact O-N 3.2Å; A256-M263 VanDerWaalsContact CA-SD 3.54Å; A256-M263 HydrophobicContact CB-CE 3.61Å; A256-M263 HydrophobicContact CB-SD 4.22Å
257	D	94.4	Very high	94.7	Very high	75 Å²	75	53.9 Å²	53.9	40%	0.401	29%	0.287	S	S	.	.			trans	-86.6	-21	177.7	-72.9	-45.9	0	0	0	113.6	S203 S204 T207	S203-D257 WeakPolarHBondContact CA-OD1 3.42Å; S204-D257 WeakPolarHBondContact CB-OD1 3.49Å; S204-D257 PolarHBondContact N-OD1 3.37Å; S204-D257 PolarHBondContact N-OD2 2.85Å; S204-D257 PolarHBondContact OG-OD1 2.6Å; S204-D257 VanDerWaalsContact OG-OD1 3.06Å; T207-D257 VanDerWaalsContact CB-OD1 3.3Å; T207-D257 WeakPolarHBondContact CB-OD1 3.34Å; T207-D257 PolarHBondContact OG1-OD1 3.05Å
258	D	92.5	Very high	94.6	Very high	69 Å²	69	57.3 Å²	57.3	37%	0.369	30%	0.302	S	S	.	.	S	Bend	trans	-69.9	169.4	-178.1	-81.9	-60.9	0	0	0	114	R211 K262 M263	R211-D258 PolarHBondContact NH2-O 3.16Å; D258-K262 HydrophobicContact CB-CB 3.75Å; D258-K262 HydrophobicContact CB-CD 3.72Å; D258-K262 HydrophobicContact CB-CG 4.46Å; D258-K262 VanDerWaalsContact CG-CD 3.45Å; D258-K262 WeakPolarHBondContact OD1-CD 3.37Å; D258-K262 IonicContact OD1-NZ 2.98Å; D258-K262 PolarHBondContact OD1-NZ 3.41Å; D258-M263 HydrophobicContact CB-SD 4.36Å
259	D	90.9	Very high	94.5	Very high	84 Å²	84	60.6 Å²	60.6	45%	0.449	31%	0.314	S	S	.	.			trans	-66.2	165.7	173.9	69.9	74.9	0	0	0	113	Q261 K262 M263	D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 PolarHBondContact O-N 2.85Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.45Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.28Å; D259-Q261 PolarHBondContact OD1-N 2.95Å; D259-K262 PolarHBondContact O-N 3.35Å; D259-K262 PolarHBondContact OD1-N 3.14Å; D259-K262 WeakPolarHBondContact OD2-CD 3.38Å; D259-M263 VanDerWaalsContact O-CG 3.31Å; D259-M263 WeakPolarHBondContact O-CG 3.23Å; D259-M263 PolarHBondContact O-N 3.44Å
260	L	89.3	Confident	94.4	Very high	95 Å²	95	60.9 Å²	60.9	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-56.4	-38.7	-175.3	-177.7	60.6	0	0	0	113.5	T84 M263 L264	T84-L260 HydrophobicContact CG2-CD1 3.56Å; L260-M263 PolarHBondContact O-N 2.85Å; L260-L264 HydrophobicContact CD1-CD2 4.45Å; L260-L264 HydrophobicContact CD1-CG 4.2Å; L260-L264 HydrophobicContact CG-CD1 4.24Å; L260-L264 HydrophobicContact CG-CG 4.35Å; L260-L264 VanDerWaalsContact O-CG 3.22Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 3.08Å
261	Q	91.6	Very high	94.2	Very high	140 Å²	140	60.3 Å²	60.3	65%	0.654	30%	0.302	S	S	*	.	H	α-helix	trans	-66.9	-45.2	-176.6	-67.4	-62.1	-34.9	0	0	111	D259 M263 L264 H265	D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 PolarHBondContact O-N 2.85Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.45Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.28Å; D259-Q261 PolarHBondContact OD1-N 2.95Å; Q261-M263 VanDerWaalsContact C-N 3.32Å; Q261-M263 PolarHBondContact O-N 3.49Å; Q261-L264 PolarHBondContact O-N 3.1Å; Q261-H265 PolarHBondContact O-N 2.94Å; Q261-H265 VanDerWaalsContact O-N 3.12Å
262	K	92.5	Very high	93.9	Very high	104 Å²	104	66.4 Å²	66.4	45%	0.452	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-38.8	173.8	-72.8	178.4	176.9	174.4	0	112.1	D258 D259 L264 H265 Q266	D258-K262 HydrophobicContact CB-CB 3.75Å; D258-K262 HydrophobicContact CB-CD 3.72Å; D258-K262 HydrophobicContact CB-CG 4.46Å; D258-K262 VanDerWaalsContact CG-CD 3.45Å; D258-K262 WeakPolarHBondContact OD1-CD 3.37Å; D258-K262 IonicContact OD1-NZ 2.98Å; D258-K262 PolarHBondContact OD1-NZ 3.41Å; D259-K262 PolarHBondContact O-N 3.35Å; D259-K262 PolarHBondContact OD1-N 3.14Å; D259-K262 WeakPolarHBondContact OD2-CD 3.38Å; K262-L264 PolarHBondContact O-N 2.83Å; K262-H265 WeakPolarHBondContact O-CB 3.49Å; K262-H265 PolarHBondContact O-N 3.17Å; K262-Q266 WeakPolarHBondContact O-CG 3.38Å; K262-Q266 PolarHBondContact O-N 2.95Å
263	M	93.9	Very high	93.6	Very high	7 Å²	7	69.8 Å²	69.8	3%	0.034	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-42.6	175.3	-70.3	-50.3	-59	0	0	112.5	I254 A256 D258 D259 L260 Q261 H265 Q266 Y267	I254-M263 HydrophobicContact CG2-CE 4.3Å; A256-M263 VanDerWaalsContact CA-SD 3.54Å; A256-M263 HydrophobicContact CB-CE 3.61Å; A256-M263 HydrophobicContact CB-SD 4.22Å; D258-M263 HydrophobicContact CB-SD 4.36Å; D259-M263 VanDerWaalsContact O-CG 3.31Å; D259-M263 WeakPolarHBondContact O-CG 3.23Å; D259-M263 PolarHBondContact O-N 3.44Å; L260-M263 PolarHBondContact O-N 2.85Å; Q261-M263 VanDerWaalsContact C-N 3.32Å; Q261-M263 PolarHBondContact O-N 3.49Å; M263-H265 VanDerWaalsContact C-N 3.27Å; M263-H265 PolarHBondContact O-N 3.31Å; M263-Q266 WeakPolarHBondContact O-CB 3.44Å; M263-Q266 PolarHBondContact O-N 3.41Å; M263-Y267 HydrophobicContact CB-CE2 4.25Å; M263-Y267 HydrophobicContact CE-CE1 3.65Å; M263-Y267 WeakPolarHBondContact CE-OH 3.43Å; M263-Y267 WeakPolarHBondContact O-CD1 3.41Å; M263-Y267 VanDerWaalsContact O-CD2 3.31Å; M263-Y267 WeakPolarHBondContact O-CD2 3.44Å; M263-Y267 PolarHBondContact O-N 2.76Å
264	L	93.4	Very high	93.3	Very high	50 Å²	50	67.3 Å²	67.3	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-37.6	175.6	-68	174.6	0	0	0	111.7	Y88 L260 Q261 K262 Y267 E268	Y88-L264 HydrophobicContact CD2-CD2 3.39Å; Y88-L264 HydrophobicContact CE2-CD2 3.93Å; Y88-L264 HydrophobicContact CG-CD2 4.05Å; L260-L264 HydrophobicContact CD1-CD2 4.45Å; L260-L264 HydrophobicContact CD1-CG 4.2Å; L260-L264 HydrophobicContact CG-CD1 4.24Å; L260-L264 HydrophobicContact CG-CG 4.35Å; L260-L264 VanDerWaalsContact O-CG 3.22Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 3.08Å; Q261-L264 PolarHBondContact O-N 3.1Å; K262-L264 PolarHBondContact O-N 2.83Å; L264-Y267 HydrophobicContact CD2-CD2 4.24Å; L264-Y267 PolarHBondContact O-N 2.9Å; L264-E268 PolarHBondContact O-N 3.04Å; L264-E268 VanDerWaalsContact O-N 3.12Å
265	H	93.6	Very high	93	Very high	111 Å²	111	69.8 Å²	69.8	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-47.7	173.6	-173.4	60.3	0	0	0	111.5	Q261 K262 M263 Y267 E268 E269	Q261-H265 PolarHBondContact O-N 2.94Å; Q261-H265 VanDerWaalsContact O-N 3.12Å; K262-H265 WeakPolarHBondContact O-CB 3.49Å; K262-H265 PolarHBondContact O-N 3.17Å; M263-H265 VanDerWaalsContact C-N 3.27Å; M263-H265 PolarHBondContact O-N 3.31Å; H265-Y267 VanDerWaalsContact C-N 3.26Å; H265-Y267 PolarHBondContact O-N 3.32Å; H265-E268 PolarHBondContact O-N 2.97Å; H265-E268 VanDerWaalsContact O-N 3.11Å; H265-E269 IonicContact CD2-OE1 3.85Å; H265-E269 IonicContact CD2-OE2 3.82Å; H265-E269 IonicContact CE1-OE1 3.2Å; H265-E269 IonicContact NE2-OE1 3.22Å; H265-E269 PolarHBondContact NE2-OE1 2.76Å; H265-E269 IonicContact NE2-OE2 2.92Å; H265-E269 WeakPolarHBondContact O-CG 3.45Å; H265-E269 PolarHBondContact O-N 2.83Å
266	Q	93.8	Very high	92.3	Very high	53 Å²	53	68.7 Å²	68.7	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-57.2	-37.9	175.7	-72.5	-61.4	-52.7	0	0	112.7	I254 K262 M263 E269 N270	I254-Q266 HydrophobicContact CG2-CB 4.05Å; K262-Q266 WeakPolarHBondContact O-CG 3.38Å; K262-Q266 PolarHBondContact O-N 2.95Å; M263-Q266 WeakPolarHBondContact O-CB 3.44Å; M263-Q266 PolarHBondContact O-N 3.41Å; Q266-E269 PolarHBondContact NE2-OE2 3.47Å; Q266-N270 WeakPolarHBondContact O-CB 3.46Å; Q266-N270 PolarHBondContact O-N 3.36Å; Q266-N270 PolarHBondContact O-ND2 2.97Å
267	Y	94.3	Very high	90.9	Very high	4 Å²	4	69 Å²	69	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-39.2	176.8	-57.7	-26.9	0	0	0	112.7	C85 Y88 L201 I254 M263 L264 H265 R271	C85-Y267 HydrophobicContact CB-CE1 4.08Å; C85-Y267 HydrophobicContact CB-CE2 4.02Å; Y88-Y267 HydrophobicContact CD1-CD2 4.01Å; Y88-Y267 HydrophobicContact CD1-CG 4.29Å; Y88-Y267 HydrophobicContact CG-CD2 4.06Å; L201-Y267 HydrophobicContact CD2-CE1 4.08Å; I254-Y267 HydrophobicContact CD1-CD1 4.5Å; M263-Y267 HydrophobicContact CB-CE2 4.25Å; M263-Y267 HydrophobicContact CE-CE1 3.65Å; M263-Y267 WeakPolarHBondContact CE-OH 3.43Å; M263-Y267 WeakPolarHBondContact O-CD1 3.41Å; M263-Y267 VanDerWaalsContact O-CD2 3.31Å; M263-Y267 WeakPolarHBondContact O-CD2 3.44Å; M263-Y267 PolarHBondContact O-N 2.76Å; L264-Y267 HydrophobicContact CD2-CD2 4.24Å; L264-Y267 PolarHBondContact O-N 2.9Å; H265-Y267 VanDerWaalsContact C-N 3.26Å; H265-Y267 PolarHBondContact O-N 3.32Å; Y267-R271 WeakPolarHBondContact O-CA 3.36Å; Y267-R271 PolarHBondContact O-N 3.22Å
268	E	93.7	Very high	89	Confident	97 Å²	97	67.7 Å²	67.7	45%	0.453	34%	0.336	S	S	.	.	H	α-helix	trans	-70.6	-43.9	177.6	-170.8	58.8	-160.8	0	0	111.3	Y88 L264 H265 N270 R271	Y88-E268 WeakPolarHBondContact OH-CB 3.41Å; Y88-E268 PolarHBondContact OH-OE2 3.4Å; L264-E268 PolarHBondContact O-N 3.04Å; L264-E268 VanDerWaalsContact O-N 3.12Å; H265-E268 PolarHBondContact O-N 2.97Å; H265-E268 VanDerWaalsContact O-N 3.11Å; E268-N270 PolarHBondContact O-N 3.24Å; E268-R271 WeakPolarHBondContact O-CB 3.49Å; E268-R271 PolarHBondContact O-N 3.4Å; E268-R271 WeakPolarHBondContact OE2-CD 3.29Å; E268-R271 IonicContact OE2-CZ 3.17Å; E268-R271 IonicContact OE2-NE 2.75Å; E268-R271 IonicContact OE2-NH1 3.8Å; E268-R271 PolarHBondContact OE2-NH1 3.06Å
269	E	94.4	Very high	86.8	Confident	109 Å²	109	70.9 Å²	70.9	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-34.7	176.2	-72.1	-173.5	133.5	0	0	112.5	H265 Q266	H265-E269 IonicContact CD2-OE1 3.85Å; H265-E269 IonicContact CD2-OE2 3.82Å; H265-E269 IonicContact CE1-OE1 3.2Å; H265-E269 IonicContact NE2-OE1 3.22Å; H265-E269 PolarHBondContact NE2-OE1 2.76Å; H265-E269 IonicContact NE2-OE2 2.92Å; H265-E269 WeakPolarHBondContact O-CG 3.45Å; H265-E269 PolarHBondContact O-N 2.83Å; Q266-E269 PolarHBondContact NE2-OE2 3.47Å
270	N	94.4	Very high	84.2	Confident	19 Å²	19	74.9 Å²	74.9	10%	0.102	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.2	179.7	-70.5	-76.4	0	0	0	113.7	L252 I254 Q266 E268 E272 K273 I274	L252-N270 HydrophobicContact CD2-CB 4.24Å; I254-N270 HydrophobicContact CD1-CB 4.29Å; Q266-N270 WeakPolarHBondContact O-CB 3.46Å; Q266-N270 PolarHBondContact O-N 3.36Å; Q266-N270 PolarHBondContact O-ND2 2.97Å; E268-N270 PolarHBondContact O-N 3.24Å; N270-E272 PolarHBondContact O-N 3.03Å; N270-K273 PolarHBondContact O-N 3.1Å; N270-K273 VanDerWaalsContact O-N 3.16Å; N270-I274 HydrophobicContact CB-CD1 4Å; N270-I274 HydrophobicContact CB-CG1 4.4Å; N270-I274 VanDerWaalsContact O-CG1 3.29Å; N270-I274 WeakPolarHBondContact O-CG1 3.32Å; N270-I274 PolarHBondContact O-N 3.41Å
271	R	93.9	Very high	84	Confident	57 Å²	57	73.9 Å²	73.9	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-53.8	-50	-173.2	179.5	179	-159.8	103.8	8.6	112.5	F89 T92 Y267 E268 K273 I274 L275	F89-R271 HydrophobicContact CE1-CG 4.23Å; T92-R271 PolarHBondContact OG1-NH2 3.05Å; Y267-R271 WeakPolarHBondContact O-CA 3.36Å; Y267-R271 PolarHBondContact O-N 3.22Å; E268-R271 WeakPolarHBondContact O-CB 3.49Å; E268-R271 PolarHBondContact O-N 3.4Å; E268-R271 WeakPolarHBondContact OE2-CD 3.29Å; E268-R271 IonicContact OE2-CZ 3.17Å; E268-R271 IonicContact OE2-NE 2.75Å; E268-R271 IonicContact OE2-NH1 3.8Å; E268-R271 PolarHBondContact OE2-NH1 3.06Å; R271-K273 PolarHBondContact O-N 3.43Å; R271-I274 PolarHBondContact O-N 3.31Å; R271-L275 HydrophobicContact CG-CD1 3.8Å; R271-L275 HydrophobicContact CG-CG 4.4Å; R271-L275 WeakPolarHBondContact O-CB 3.05Å; R271-L275 VanDerWaalsContact O-CG 3.27Å; R271-L275 WeakPolarHBondContact O-CG 3.32Å; R271-L275 PolarHBondContact O-N 3.19Å
272	E	91.2	Very high	83.6	Confident	163 Å²	163	70.4 Å²	70.4	76%	0.762	36%	0.36	S	S	*	.	H	α-helix	trans	-62.2	-43.7	-178.5	-65.5	-172.2	165	0	0	111.6	N270 I274 L275 A276	N270-E272 PolarHBondContact O-N 3.03Å; E272-I274 VanDerWaalsContact C-N 3.33Å; E272-I274 PolarHBondContact O-N 3.04Å; E272-L275 PolarHBondContact O-N 3.17Å; E272-A276 WeakPolarHBondContact O-CB 3.31Å; E272-A276 PolarHBondContact O-N 3.42Å
273	K	91.8	Very high	83.1	Confident	104 Å²	104	68.5 Å²	68.5	45%	0.452	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-42.3	177.4	-64.4	177.2	-176.4	168.3	0	111.8	L252 N270 R271 G277	L252-K273 HydrophobicContact CD2-CB 4.4Å; N270-K273 PolarHBondContact O-N 3.1Å; N270-K273 VanDerWaalsContact O-N 3.16Å; R271-K273 PolarHBondContact O-N 3.43Å; K273-G277 PolarHBondContact O-N 2.96Å
274	I	91.9	Very high	82.5	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-64.6	-42	178.3	-68.1	167.3	0	0	0	110.6	F89 M150 V199 L252 I254 N270 R271 E272	F89-I274 HydrophobicContact CE2-CD1 4.04Å; F89-I274 HydrophobicContact CZ-CD1 3.68Å; F89-I274 HydrophobicContact CZ-CG2 4.3Å; M150-I274 HydrophobicContact CE-CG2 3.39Å; V199-I274 HydrophobicContact CG2-CG1 4.04Å; L252-I274 HydrophobicContact CD2-CD1 4.36Å; L252-I274 HydrophobicContact CD2-CG1 3.65Å; I254-I274 HydrophobicContact CD1-CD1 4.11Å; N270-I274 HydrophobicContact CB-CD1 4Å; N270-I274 HydrophobicContact CB-CG1 4.4Å; N270-I274 VanDerWaalsContact O-CG1 3.29Å; N270-I274 WeakPolarHBondContact O-CG1 3.32Å; N270-I274 PolarHBondContact O-N 3.41Å; R271-I274 PolarHBondContact O-N 3.31Å; E272-I274 VanDerWaalsContact C-N 3.33Å; E272-I274 PolarHBondContact O-N 3.04Å
275	L	89.5	Confident	81.8	Confident	53 Å²	53	73.5 Å²	73.5	28%	0.277	38%	0.381	S	S	.	.	H	α-helix	trans	-86.5	-14.6	-176.4	-60.3	-178.8	0	0	0	114.3	L70 I95 V148 M150 R271 E272	L70-L275 VanDerWaalsContact CD2-O 3.25Å; L70-L275 WeakPolarHBondContact CD2-O 3.5Å; I95-L275 HydrophobicContact CD1-CD1 4.46Å; I95-L275 HydrophobicContact CD1-CD2 3.56Å; I95-L275 HydrophobicContact CG1-CD2 4.26Å; V148-L275 HydrophobicContact CG1-CD2 4.22Å; V148-L275 HydrophobicContact CG2-CD2 4.5Å; M150-L275 HydrophobicContact CE-CD2 3.62Å; R271-L275 HydrophobicContact CG-CD1 3.8Å; R271-L275 HydrophobicContact CG-CG 4.4Å; R271-L275 WeakPolarHBondContact O-CB 3.05Å; R271-L275 VanDerWaalsContact O-CG 3.27Å; R271-L275 WeakPolarHBondContact O-CG 3.32Å; R271-L275 PolarHBondContact O-N 3.19Å; E272-L275 PolarHBondContact O-N 3.17Å
276	A	82	Confident	81	Confident	48 Å²	48	71 Å²	71	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-92.2	-15.4	176	0	0	0	0	0	113.7	E272	E272-A276 WeakPolarHBondContact O-CB 3.31Å; E272-A276 PolarHBondContact O-N 3.42Å
277	G	65.9	Low	80.1	Confident	7 Å²	7	72.3 Å²	72.3	7%	0.072	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	51	177.1	0	0	0	0	0	114.3	K273 N279	K273-G277 PolarHBondContact O-N 2.96Å; G277-N279 VanDerWaalsContact C-N 3.29Å; G277-N279 PolarHBondContact O-N 2.75Å
278	S	54.7	Low	79	Confident	47 Å²	47	77.5 Å²	77.5	33%	0.329	41%	0.409	S	S	.	.	S	Bend	trans	65.9	13.1	176.2	-55.1	0	0	0	0	117.4	L197 P250 V280	L197-S278 VanDerWaalsContact CD1-OG 3.22Å; L197-S278 WeakPolarHBondContact CD1-OG 3.41Å; P250-S278 WeakPolarHBondContact CB-OG 3.12Å; S278-V280 PolarHBondContact O-N 2.66Å
279	N	45.2	Very low	77.8	Confident	136 Å²	136	75.9 Å²	75.9	73%	0.727	41%	0.405	S	S	*	.			trans	-86.2	53.5	169.9	-76.2	-26.3	0	0	0	112.4	G277	G277-N279 VanDerWaalsContact C-N 3.29Å; G277-N279 PolarHBondContact O-N 2.75Å
280	V	38.2	Very low	76.3	Confident	168 Å²	168	72.9 Å²	72.9	100%	1.018	40%	0.396	S	S	*	.			trans	-134.5	0	166.4	-173.1	0	0	0	0	108.8	S278	S278-V280 PolarHBondContact O-N 2.66Å

Retrieved 280 of 280 residues in 299 ms (Link to these results)

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