A0A3Q0KNM8_SCHMA Loading...

Kelch-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KNM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	37.8	Very low	255 Å²	255	150.7 Å²	150.7	100%	1.256	82%	0.815	S	S	*	*				0	135.4	0	-44.8	176	-159.8	0	0	106.8
2	G	41.9	Very low	37.8	Very low	78 Å²	78	155.4 Å²	155.4	80%	0.804	82%	0.822	S	S	*	*			cis	-165	156.5	-11.1	0	0	0	0	0	109.6
3	R	38.6	Very low	37.4	Very low	241 Å²	241	154.2 Å²	154.2	91%	0.909	81%	0.814	S	S	*	*			trans	-112.2	151.3	173.8	-84.8	-173.1	175	-176.8	-0.8	110.4
4	P	40	Very low	37.5	Very low	119 Å²	119	148.6 Å²	148.6	77%	0.773	81%	0.811	S	S	*	*				-118.1	159.4	110.3	-6.7	27.6	0	0	0	111.4
5	A	37.1	Very low	37.3	Very low	90 Å²	90	152 Å²	152	74%	0.744	82%	0.815	S	S	*	*			cis	78.4	136	28.8	0	0	0	0	0	113.8
6	S	37	Very low	37	Very low	93 Å²	93	157.3 Å²	157.3	65%	0.65	82%	0.82	S	S	*	*			cis	-175	-173.4	-3	49.8	0	0	0	0	111.7
7	N	38.6	Very low	37	Very low	122 Å²	122	152.9 Å²	152.9	65%	0.652	81%	0.806	S	S	*	*			trans	81.1	150.2	152.4	-68.5	-31.7	0	0	0	120
8	K	35	Very low	36.7	Very low	173 Å²	173	157.6 Å²	157.6	75%	0.752	81%	0.811	S	S	*	*			cis	-176.8	166	-28.9	-124.1	178.9	-158	159.3	0	112
9	K	38.2	Very low	36.5	Very low	209 Å²	209	157.1 Å²	157.1	91%	0.909	81%	0.809	S	S	*	*			trans	80.2	143.1	167.6	-56.3	162.6	-177.3	177.3	0	116.7
10	G	38.3	Very low	36.3	Very low	67 Å²	67	156.1 Å²	156.1	69%	0.691	81%	0.805	S	S	*	*			cis	167.2	143.7	-15.2	0	0	0	0	0	118
11	Y	32.9	Very low	36	Very low	211 Å²	211	158.4 Å²	158.4	83%	0.827	81%	0.809	S	S	*	*			trans	54.2	122	149.5	-77.7	-90.7	0	0	0	123.3	I13	Y11-I13 HydrophobicContact CD1-CD1 4.5Å; Y11-I13 HydrophobicContact CE1-CD1 4.32Å
12	K	38.3	Very low	35.6	Very low	207 Å²	207	154.4 Å²	154.4	90%	0.9	79%	0.792	S	S	*	*				-162	171.1	95.5	-105.2	176.6	-178.5	178.4	0	112.1
13	I	32.1	Very low	34.9	Very low	140 Å²	140	159 Å²	159	72%	0.718	80%	0.798	S	S	*	*			trans	-135.8	143.3	-162.7	-66.9	169.1	0	0	0	111.8	Y11	Y11-I13 HydrophobicContact CD1-CD1 4.5Å; Y11-I13 HydrophobicContact CE1-CD1 4.32Å
14	G	40	Very low	34.5	Very low	75 Å²	75	151.7 Å²	151.7	77%	0.773	79%	0.789	S	S	*	*			trans	-136.1	140.3	164	0	0	0	0	0	112.1
15	K	34	Very low	34.1	Very low	200 Å²	200	156 Å²	156	87%	0.87	80%	0.797	S	S	*	*			trans	-102.5	167.7	174.9	-57.5	167.3	175.9	170.9	0	108.3
16	R	32.6	Very low	33.6	Very low	236 Å²	236	163.5 Å²	163.5	89%	0.891	81%	0.806	S	S	*	*			cis	-160.2	169.8	25.3	-111.1	-180	166	165.2	-4.9	107
17	S	36.4	Very low	33.2	Very low	83 Å²	83	170.1 Å²	170.1	58%	0.58	82%	0.816	S	S	*	*			cis	178.2	137.6	-35.7	56.4	0	0	0	0	111.5
18	R	32.3	Very low	32.6	Very low	238 Å²	238	170.3 Å²	170.3	90%	0.898	83%	0.825	S	S	*	*			trans	75.9	140.2	173.3	-50	173.6	171.4	179.9	-5.1	114.5
19	L	32.7	Very low	32.2	Very low	148 Å²	148	167.6 Å²	167.6	78%	0.775	83%	0.827	S	S	*	*			cis	-127.9	175.2	36.8	-112.7	82.2	0	0	0	115.9
20	N	33.1	Very low	31.6	Very low	137 Å²	137	162.8 Å²	162.8	73%	0.733	82%	0.82	S	S	*	*			trans	0	124.9	164.9	-50.2	-7.1	0	0	0	117.7
21	K	29	Very low	31.2	Very low	204 Å²	204	169.9 Å²	169.9	89%	0.887	83%	0.827	S	S	*	*			cis	61	91.6	44.2	-77.5	-162.8	171.7	-169.9	0	116.4
22	L	29.8	Very low	31.1	Very low	172 Å²	172	165.6 Å²	165.6	90%	0.901	82%	0.823	S	S	*	*			trans	-163.2	95.5	143.7	-112.1	165.5	0	0	0	109.4
23	N	28.3	Very low	30.6	Very low	173 Å²	173	161.6 Å²	161.6	93%	0.925	82%	0.819	S	S	*	*			trans	-172.5	90.8	170.9	-122.9	-31.1	0	0	0	110.4
24	A	28.8	Very low	30.6	Very low	88 Å²	88	162.9 Å²	162.9	73%	0.727	83%	0.825	S	S	*	*			trans	-162	38.3	-173.2	0	0	0	0	0	116.9
25	F	31.1	Very low	30.1	Very low	211 Å²	211	167.6 Å²	167.6	93%	0.925	83%	0.826	S	S	*	*			trans	-133.6	67.3	169.2	-90.7	-74.4	0	0	0	113.2
26	R	26.9	Very low	29.7	Very low	247 Å²	247	162.6 Å²	162.6	93%	0.932	82%	0.817	S	S	*	*			trans	-108.8	115.7	150.1	-82.8	-171.7	175.1	-171.5	-1.2	108.4
27	R	30.1	Very low	29.7	Very low	232 Å²	232	157.7 Å²	157.7	88%	0.875	81%	0.813	S	S	*	*			trans	-137.5	120.9	160.7	-85.1	-170.2	171.2	-178.1	-2.8	108.2
28	C	24.6	Very low	29.3	Very low	125 Å²	125	162.5 Å²	162.5	85%	0.845	83%	0.826	S	S	*	*			trans	-70.7	138.2	170.1	-49.4	0	0	0	0	109
29	C	28	Very low	29.4	Very low	117 Å²	117	158.7 Å²	158.7	79%	0.791	82%	0.821	S	S	*	*			trans	-119.2	82.3	162.1	-75	0	0	0	0	108.1
30	S	25.3	Very low	29.4	Very low	108 Å²	108	159.8 Å²	159.8	76%	0.755	82%	0.822	S	S	*	*			trans	-77.1	116.1	165.9	52.4	0	0	0	0	108.9
31	Y	29.9	Very low	29.2	Very low	216 Å²	216	160.6 Å²	160.6	85%	0.847	83%	0.827	S	S	*	*			trans	-129.3	123.5	165.6	-95.6	-83	0	0	0	109.7
32	T	29.5	Very low	29.4	Very low	120 Å²	120	155 Å²	155	74%	0.736	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-81.1	140	175	46	0	0	0	0	110.3
33	P	29	Very low	29.3	Very low	124 Å²	124	154.7 Å²	154.7	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-60.9	145	169.1	-18.7	31.4	0	0	0	111.2
34	I	30.6	Very low	29.3	Very low	167 Å²	167	154 Å²	154	86%	0.856	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-97.9	136.9	169.3	-64.9	179.9	0	0	0	108.5
35	H	29.5	Very low	29.3	Very low	173 Å²	173	158.3 Å²	158.3	80%	0.801	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-74.2	140.8	-172.1	-96	-92.1	0	0	0	114.4
36	S	27.4	Very low	29.2	Very low	95 Å²	95	153.8 Å²	153.8	66%	0.664	81%	0.813	S	S	*	*			trans	50.7	123.4	140	67.6	0	0	0	0	121.4
37	V	30.5	Very low	29.4	Very low	133 Å²	133	146.7 Å²	146.7	81%	0.806	80%	0.797	S	S	*	*				-135.1	128.9	126.1	179.4	0	0	0	0	108.4	I39	V37-I39 HydrophobicContact CG1-CG1 4.33Å
38	H	29.3	Very low	29.8	Very low	184 Å²	184	142.5 Å²	142.5	85%	0.852	79%	0.792	S	S	*	*			trans	-83.4	131.7	165.1	-82.5	-88.6	0	0	0	109.8
39	I	33.2	Very low	30.7	Very low	158 Å²	158	143.4 Å²	143.4	81%	0.81	79%	0.788	S	S	*	*			trans	-135.6	148.5	150.8	-63.4	-172.5	0	0	0	108.1	V37	V37-I39 HydrophobicContact CG1-CG1 4.33Å
40	H	33.3	Very low	31.4	Very low	171 Å²	171	143.1 Å²	143.1	79%	0.792	78%	0.779	S	S	*	*			trans	-78.3	167.6	-169.8	-81.5	-88.5	0	0	0	115.6
41	D	28.3	Very low	32.6	Very low	155 Å²	155	143 Å²	143	83%	0.829	77%	0.77	S	S	*	*			trans	-47.7	133.9	162.4	-46.7	-97.4	0	0	0	113.5
42	A	33.5	Very low	33.9	Very low	87 Å²	87	137 Å²	137	72%	0.719	75%	0.752	S	S	*	*			trans	-163	125.7	145.4	0	0	0	0	0	111.9
43	N	28.1	Very low	35.1	Very low	164 Å²	164	140.7 Å²	140.7	88%	0.877	76%	0.758	S	S	*	*			trans	57.1	124.4	154.4	-60.3	-20.1	0	0	0	120.7
44	L	29.6	Very low	37.1	Very low	158 Å²	158	137.9 Å²	137.9	83%	0.827	74%	0.742	S	S	*	*			trans	-70.9	168.5	161.2	-64.1	82.6	0	0	0	111.7
45	Q	27.4	Very low	39.4	Very low	180 Å²	180	131.2 Å²	131.2	84%	0.841	71%	0.709	S	S	*	*			trans	89.8	126	163	-56.8	178.4	-17.1	0	0	117.4
46	S	29.1	Very low	42	Very low	115 Å²	115	126.8 Å²	126.8	80%	0.804	69%	0.692	S	S	*	*			trans	58	106.9	173.7	60.3	0	0	0	0	118.6
47	T	31.8	Very low	44.8	Very low	99 Å²	99	125.1 Å²	125.1	61%	0.607	67%	0.671	S	S	*	*				-179.2	117.3	102.3	50.5	0	0	0	0	109.5
48	D	39.1	Very low	47.7	Very low	144 Å²	144	120.5 Å²	120.5	77%	0.77	64%	0.643	S	S	*	*	S	Bend	trans	-92.7	-20.3	172	-136.7	-17.7	0	0	0	111.4	N50	D48-N50 PolarHBondContact O-N 2.68Å
49	D	43.4	Very low	50.6	Low	143 Å²	143	111.8 Å²	111.8	77%	0.765	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-9.9	-169.1	-50.6	-72.3	0	0	0	115.6
50	N	42.7	Very low	53.5	Low	111 Å²	111	105.8 Å²	105.8	59%	0.594	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-5.5	-170.5	-85.9	-43.9	0	0	0	115.2	D48	D48-N50 PolarHBondContact O-N 2.68Å
51	L	50.2	Low	56.4	Low	107 Å²	107	97.7 Å²	97.7	56%	0.56	53%	0.534	S	S	*	.			trans	-93.9	-4.4	-174.2	-119.2	76.1	0	0	0	115.3	F53 S54	L51-F53 VanDerWaalsContact C-N 3.26Å; L51-F53 PolarHBondContact O-N 3.1Å; L51-S54 PolarHBondContact O-OG 3.08Å; L51-S54 VanDerWaalsContact O-OG 3.13Å
52	D	56.2	Low	59.3	Low	88 Å²	88	94.1 Å²	94.1	47%	0.471	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-70.3	-20.7	-168	-150.4	39.3	0	0	0	113.8	S54 C55 N69	D52-S54 VanDerWaalsContact C-N 3.26Å; D52-S54 PolarHBondContact O-N 3.1Å; D52-C55 PolarHBondContact O-N 3.08Å; D52-N69 VanDerWaalsContact OD1-CB 3.23Å; D52-N69 WeakPolarHBondContact OD1-CB 3.49Å; D52-N69 PolarHBondContact OD1-ND2 3.17Å; D52-N69 PolarHBondContact OD2-ND2 3.44Å
53	F	56.2	Low	62.1	Low	199 Å²	199	98.9 Å²	98.9	87%	0.873	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-66.1	-15.4	-177.4	-74.8	-77.7	0	0	0	115.9	L51	L51-F53 VanDerWaalsContact C-N 3.26Å; L51-F53 PolarHBondContact O-N 3.1Å
54	S	70.3	Confident	65.1	Low	65 Å²	65	93.4 Å²	93.4	46%	0.455	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-92.4	-12	179.5	54.6	0	0	0	0	113.9	L51 D52	L51-S54 PolarHBondContact O-OG 3.08Å; L51-S54 VanDerWaalsContact O-OG 3.13Å; D52-S54 VanDerWaalsContact C-N 3.26Å; D52-S54 PolarHBondContact O-N 3.1Å
55	C	78	Confident	68	Low	27 Å²	27	87.9 Å²	87.9	18%	0.182	48%	0.476	C	S	.	.			trans	-78.3	134.5	-175.2	-66.1	0	0	0	0	111.9	D52 N69 I70	D52-C55 PolarHBondContact O-N 3.08Å; C55-N69 HydrophobicContact CB-CB 3.69Å; C55-I70 CarbonylContact C-O 3.57Å; C55-I70 VanDerWaalsContact CA-O 3.31Å; C55-I70 WeakPolarHBondContact CA-O 3.4Å; C55-I70 VanDerWaalsContact CB-O 3.32Å; C55-I70 WeakPolarHBondContact CB-O 3.35Å
56	D	85	Confident	71	Confident	80 Å²	80	82 Å²	82	43%	0.428	45%	0.45	S	S	.	.			trans	-111.7	-6.8	-175.2	81.3	-44	0	0	0	113.7	I70 S72	D56-I70 PolarHBondContact N-O 3.34Å; D56-S72 VanDerWaalsContact CG-OG 3.27Å; D56-S72 WeakPolarHBondContact OD1-CB 3.28Å; D56-S72 PolarHBondContact OD1-N 3.05Å; D56-S72 PolarHBondContact OD1-OG 3.2Å; D56-S72 PolarHBondContact OD2-OG 3.13Å
57	R	86.7	Confident	74	Confident	60 Å²	60	80 Å²	80	23%	0.226	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.4	171.2	-73.6	-61.3	-177.9	-70.6	-2.4	111.8	I70 S72 G91	R57-I70 HydrophobicContact CB-CD1 4.12Å; R57-I70 HydrophobicContact CB-CG1 3.9Å; R57-I70 PolarHBondContact N-O 3.39Å; R57-I70 VanDerWaalsContact O-CG1 3.28Å; R57-I70 WeakPolarHBondContact O-CG1 3.28Å; R57-I70 PolarHBondContact O-N 2.64Å; R57-S72 WeakPolarHBondContact CB-OG 3.18Å; R57-S72 WeakPolarHBondContact CG-OG 3.25Å; R57-G91 PolarHBondContact NE-O 3.31Å; R57-G91 PolarHBondContact NH2-O 3.13Å; R57-G91 VanDerWaalsContact NH2-O 3.12Å
58	T	89.9	Confident	76.6	Confident	36 Å²	36	79.9 Å²	79.9	22%	0.221	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.2	172.2	-55	0	0	0	0	109	T67 N69 N94 I95	T58-T67 HydrophobicContact CG2-CG2 3.76Å; T58-N69 WeakPolarHBondContact CB-OD1 3.36Å; T58-N69 WeakPolarHBondContact CG2-OD1 3.25Å; T58-N69 PolarHBondContact OG1-OD1 2.89Å; T58-N94 CarbonylContact O-C 3.55Å; T58-N94 VanDerWaalsContact O-CA 3.32Å; T58-N94 WeakPolarHBondContact O-CA 3.21Å; T58-I95 PolarHBondContact O-N 2.92Å
59	I	91.1	Very high	79	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	143.2	164.6	-75.4	166.9	0	0	0	108.5	F61 T67 R68 I70 F82 I95 L97 F105	I59-F61 HydrophobicContact CG2-CE1 4.28Å; I59-F61 HydrophobicContact CG2-CE2 4.26Å; I59-F61 HydrophobicContact CG2-CZ 4.03Å; I59-T67 CarbonylContact O-C 3.42Å; I59-T67 WeakPolarHBondContact O-CA 3.33Å; I59-R68 PolarHBondContact N-O 3.19Å; I59-R68 PolarHBondContact O-N 2.85Å; I59-I70 HydrophobicContact CD1-CD1 3.9Å; I59-I70 HydrophobicContact CD1-CG1 4.38Å; I59-I70 HydrophobicContact CD1-CG2 3.87Å; I59-I70 HydrophobicContact CG1-CD1 4.16Å; I59-I70 HydrophobicContact CG1-CG1 4.48Å; I59-F82 HydrophobicContact CD1-CE1 4.02Å; I59-F82 HydrophobicContact CD1-CZ 3.67Å; I59-I95 CarbonylContact C-O 3.58Å; I59-I95 VanDerWaalsContact CA-O 3.26Å; I59-I95 WeakPolarHBondContact CA-O 3.21Å; I59-I95 HydrophobicContact CG1-CB 4.04Å; I59-I95 HydrophobicContact CG1-CG2 4.23Å; I59-L97 HydrophobicContact CD1-CD1 4.12Å; I59-L97 HydrophobicContact CG2-CB 4.25Å; I59-L97 HydrophobicContact CG2-CD1 3.86Å; I59-L97 HydrophobicContact CG2-CG 3.97Å; I59-F105 HydrophobicContact CD1-CE1 3.68Å; I59-F105 HydrophobicContact CD1-CE2 3.93Å; I59-F105 HydrophobicContact CD1-CZ 3.19Å
60	E	93	Very high	81.1	Confident	33 Å²	33	68.4 Å²	68.4	15%	0.154	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.5	177.5	-179.9	-171.8	133.1	0	0	108.1	T67 N94 I95 R96 L97	E60-T67 HydrophobicContact CB-CG2 4.48Å; E60-N94 HydrophobicContact CB-CB 3.88Å; E60-N94 WeakPolarHBondContact OE2-CB 3.49Å; E60-N94 PolarHBondContact OE2-ND2 3.25Å; E60-I95 PolarHBondContact N-O 3.38Å; E60-R96 HydrophobicContact CB-CG 4.26Å; E60-R96 HydrophobicContact CG-CG 4.49Å; E60-R96 VanDerWaalsContact O-CA 3.28Å; E60-R96 WeakPolarHBondContact O-CA 3.35Å; E60-R96 IonicContact OE1-CZ 3.62Å; E60-R96 IonicContact OE1-NE 2.68Å; E60-R96 PolarHBondContact OE1-NE 3.38Å; E60-R96 IonicContact OE1-NH2 2.67Å; E60-R96 PolarHBondContact OE1-NH2 3.23Å; E60-R96 IonicContact OE2-NE 2.68Å; E60-L97 PolarHBondContact O-N 3.41Å
61	F	94.1	Very high	83.3	Confident	1 Å²	1	65 Å²	65	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.5	175.1	-66.1	-73.1	0	0	0	110.5	I59 G65 D66 R68 L97 E99 L101 K102 F105	I59-F61 HydrophobicContact CG2-CE1 4.28Å; I59-F61 HydrophobicContact CG2-CE2 4.26Å; I59-F61 HydrophobicContact CG2-CZ 4.03Å; F61-G65 VanDerWaalsContact O-CA 3.28Å; F61-G65 WeakPolarHBondContact O-CA 3.34Å; F61-G65 PolarHBondContact O-N 2.81Å; F61-D66 HydrophobicContact CB-CB 4.48Å; F61-D66 HydrophobicContact CD2-CB 4.11Å; F61-D66 WeakPolarHBondContact CD2-O 3.5Å; F61-D66 PolarHBondContact N-O 3.12Å; F61-R68 HydrophobicContact CE2-CG 3.93Å; F61-L97 CarbonylContact C-O 3.52Å; F61-L97 WeakPolarHBondContact CA-O 3.15Å; F61-L97 HydrophobicContact CD1-CB 3.96Å; F61-L97 HydrophobicContact CE1-CB 3.93Å; F61-L97 HydrophobicContact CE1-CD1 4.18Å; F61-E99 WeakPolarHBondContact CB-OE2 3.3Å; F61-L101 HydrophobicContact CE1-CB 4.28Å; F61-K102 HydrophobicContact CB-CD 4.39Å; F61-K102 HydrophobicContact CD1-CB 3.91Å; F61-K102 HydrophobicContact CD2-CB 4.14Å; F61-K102 HydrophobicContact CD2-CD 4.26Å; F61-K102 HydrophobicContact CD2-CG 3.91Å; F61-K102 HydrophobicContact CE1-CB 4.08Å; F61-K102 HydrophobicContact CE2-CB 4.29Å; F61-K102 HydrophobicContact CE2-CG 4.14Å; F61-K102 HydrophobicContact CG-CB 3.96Å; F61-K102 HydrophobicContact CG-CD 4.29Å; F61-K102 HydrophobicContact CG-CG 4.16Å; F61-K102 HydrophobicContact CZ-CB 4.27Å; F61-F105 HydrophobicContact CE1-CB 4.24Å; F61-F105 HydrophobicContact CE1-CG 4.4Å; F61-F105 HydrophobicContact CE2-CD1 4.49Å; F61-F105 HydrophobicContact CZ-CB 3.76Å; F61-F105 AromaticContact CZ-CD1 3.74Å; F61-F105 HydrophobicContact CZ-CD1 3.74Å; F61-F105 AromaticContact CZ-CG 3.79Å; F61-F105 HydrophobicContact CZ-CG 3.79Å
62	M	91	Very high	85	Confident	80 Å²	80	60.3 Å²	60.3	39%	0.394	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	159.4	174.7	-64.6	174.1	-167.3	0	0	110.4	S64 R96 L97 P98 E99	M62-S64 PolarHBondContact O-N 3.34Å; M62-R96 HydrophobicContact CE-CB 3.97Å; M62-L97 WeakPolarHBondContact CG-O 3.01Å; M62-L97 PolarHBondContact N-O 2.92Å; M62-P98 HydrophobicContact SD-CG 4.4Å; M62-E99 WeakPolarHBondContact O-CB 3.35Å
63	E	91.5	Very high	86.5	Confident	186 Å²	186	60.5 Å²	60.5	87%	0.869	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-58	179.7	-57.7	166.5	-135.2	0	0	114.9	E99	E63-E99 HydrophobicContact CB-CB 4.47Å
64	S	91.5	Very high	88.1	Confident	50 Å²	50	54.5 Å²	54.5	35%	0.35	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-34	178.9	65	0	0	0	0	114	M62 D66 E99 K102	M62-S64 PolarHBondContact O-N 3.34Å; S64-D66 PolarHBondContact O-N 3.39Å; S64-D66 PolarHBondContact OG-N 3.01Å; S64-E99 WeakPolarHBondContact CB-OE1 3.3Å; S64-E99 WeakPolarHBondContact CB-OE2 3.23Å; S64-E99 VanDerWaalsContact OG-CD 3.27Å; S64-E99 PolarHBondContact OG-OE1 3.11Å; S64-E99 PolarHBondContact OG-OE2 3.43Å; S64-K102 PolarHBondContact OG-NZ 3.44Å
65	G	89.1	Confident	89	Confident	41 Å²	41	51.5 Å²	51.5	42%	0.423	28%	0.275	S	S	.	.			trans	73.7	6.8	-170.3	0	0	0	0	0	114.1	F61 T67	F61-G65 VanDerWaalsContact O-CA 3.28Å; F61-G65 WeakPolarHBondContact O-CA 3.34Å; F61-G65 PolarHBondContact O-N 2.81Å; G65-T67 PolarHBondContact O-N 2.84Å
66	D	91.4	Very high	89.6	Confident	57 Å²	57	51.3 Å²	51.3	31%	0.305	28%	0.276	S	S	.	.			trans	-54.9	131.7	174.5	-95.5	66.9	0	0	0	110.4	F61 S64 R68 K102	F61-D66 HydrophobicContact CB-CB 4.48Å; F61-D66 HydrophobicContact CD2-CB 4.11Å; F61-D66 WeakPolarHBondContact CD2-O 3.5Å; F61-D66 PolarHBondContact N-O 3.12Å; S64-D66 PolarHBondContact O-N 3.39Å; S64-D66 PolarHBondContact OG-N 3.01Å; D66-R68 IonicContact OD2-NH1 3.33Å; D66-R68 PolarHBondContact OD2-NH1 2.87Å; D66-R68 IonicContact OD2-NH2 3.92Å; D66-K102 HydrophobicContact CB-CD 4.32Å; D66-K102 IonicContact OD1-NZ 3.15Å; D66-K102 PolarHBondContact OD1-NZ 3.43Å; D66-K102 VanDerWaalsContact OD2-CE 3.27Å; D66-K102 WeakPolarHBondContact OD2-CE 3.46Å; D66-K102 IonicContact OD2-NZ 2.69Å
67	T	90.9	Very high	89.8	Confident	73 Å²	73	54.7 Å²	54.7	45%	0.448	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	151.6	177.1	52.1	0	0	0	0	112.8	T58 I59 E60 G65	T58-T67 HydrophobicContact CG2-CG2 3.76Å; I59-T67 CarbonylContact O-C 3.42Å; I59-T67 WeakPolarHBondContact O-CA 3.33Å; E60-T67 HydrophobicContact CB-CG2 4.48Å; G65-T67 PolarHBondContact O-N 2.84Å
68	R	88.1	Confident	90	Very high	96 Å²	96	55.7 Å²	55.7	36%	0.362	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	126.9	167.1	-67.7	-62.8	-177.2	-80.5	-0.7	109.6	I59 F61 D66	I59-R68 PolarHBondContact N-O 3.19Å; I59-R68 PolarHBondContact O-N 2.85Å; F61-R68 HydrophobicContact CE2-CG 3.93Å; D66-R68 IonicContact OD2-NH1 3.33Å; D66-R68 PolarHBondContact OD2-NH1 2.87Å; D66-R68 IonicContact OD2-NH2 3.92Å
69	N	88.6	Confident	90.2	Very high	45 Å²	45	54 Å²	54	24%	0.241	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	141.4	177.4	-68.2	-25.2	0	0	0	110.6	D52 C55 T58	D52-N69 VanDerWaalsContact OD1-CB 3.23Å; D52-N69 WeakPolarHBondContact OD1-CB 3.49Å; D52-N69 PolarHBondContact OD1-ND2 3.17Å; D52-N69 PolarHBondContact OD2-ND2 3.44Å; C55-N69 HydrophobicContact CB-CB 3.69Å; T58-N69 WeakPolarHBondContact CB-OD1 3.36Å; T58-N69 WeakPolarHBondContact CG2-OD1 3.25Å; T58-N69 PolarHBondContact OG1-OD1 2.89Å
70	I	88	Confident	90.2	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.8	-173.6	58.8	155.9	0	0	0	112.2	C55 D56 R57 I59 I75 F82 F105 I109	C55-I70 CarbonylContact C-O 3.57Å; C55-I70 VanDerWaalsContact CA-O 3.31Å; C55-I70 WeakPolarHBondContact CA-O 3.4Å; C55-I70 VanDerWaalsContact CB-O 3.32Å; C55-I70 WeakPolarHBondContact CB-O 3.35Å; D56-I70 PolarHBondContact N-O 3.34Å; R57-I70 HydrophobicContact CB-CD1 4.12Å; R57-I70 HydrophobicContact CB-CG1 3.9Å; R57-I70 PolarHBondContact N-O 3.39Å; R57-I70 VanDerWaalsContact O-CG1 3.28Å; R57-I70 WeakPolarHBondContact O-CG1 3.28Å; R57-I70 PolarHBondContact O-N 2.64Å; I59-I70 HydrophobicContact CD1-CD1 3.9Å; I59-I70 HydrophobicContact CD1-CG1 4.38Å; I59-I70 HydrophobicContact CD1-CG2 3.87Å; I59-I70 HydrophobicContact CG1-CD1 4.16Å; I59-I70 HydrophobicContact CG1-CG1 4.48Å; I70-I75 HydrophobicContact CD1-CG2 4.02Å; I70-F82 HydrophobicContact CD1-CE1 4.26Å; I70-F105 HydrophobicContact CG2-CE1 4.25Å; I70-F105 HydrophobicContact CG2-CZ 4.27Å; I70-I109 HydrophobicContact CG2-CD1 3.64Å
71	I	88.2	Confident	90.2	Very high	40 Å²	40	59.4 Å²	59.4	21%	0.205	31%	0.311	C	S	.	.			trans	-95.7	107.3	166.7	-58.5	171.1	0	0	0	106.7	V73 E74 I75	I71-V73 PolarHBondContact O-N 3.08Å; I71-V73 VanDerWaalsContact O-N 3.16Å; I71-E74 HydrophobicContact CB-CB 4.43Å; I71-E74 HydrophobicContact CB-CG 4.08Å; I71-E74 VanDerWaalsContact CD1-OE1 3.24Å; I71-E74 WeakPolarHBondContact CD1-OE1 3.44Å; I71-E74 HydrophobicContact CG2-CB 4.41Å; I71-E74 HydrophobicContact CG2-CG 3.76Å; I71-E74 PolarHBondContact O-N 3.46Å; I71-I75 PolarHBondContact O-N 2.59Å
72	S	86.8	Confident	90.1	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-27.2	-168.6	-60.6	0	0	0	0	113.8	D56 R57 A76 L86	D56-S72 VanDerWaalsContact CG-OG 3.27Å; D56-S72 WeakPolarHBondContact OD1-CB 3.28Å; D56-S72 PolarHBondContact OD1-N 3.05Å; D56-S72 PolarHBondContact OD1-OG 3.2Å; D56-S72 PolarHBondContact OD2-OG 3.13Å; R57-S72 WeakPolarHBondContact CB-OG 3.18Å; R57-S72 WeakPolarHBondContact CG-OG 3.25Å; S72-A76 WeakPolarHBondContact O-CB 3.43Å; S72-A76 PolarHBondContact O-N 3.09Å; S72-L86 WeakPolarHBondContact O-CD1 3.47Å
73	V	87	Confident	90.1	Very high	92 Å²	92	58.2 Å²	58.2	56%	0.558	31%	0.306	S	S	*	.	H	α-helix	trans	-71.9	-51.9	178.6	-177.5	0	0	0	0	110.8	I71 I75 A76 E77	I71-V73 PolarHBondContact O-N 3.08Å; I71-V73 VanDerWaalsContact O-N 3.16Å; V73-I75 VanDerWaalsContact C-N 3.33Å; V73-I75 PolarHBondContact O-N 2.77Å; V73-A76 PolarHBondContact O-N 3.14Å; V73-A76 VanDerWaalsContact O-N 3.08Å; V73-E77 PolarHBondContact O-N 2.95Å
74	E	89.2	Confident	90.1	Very high	74 Å²	74	56.7 Å²	56.7	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-58	-44.6	-177.7	-62.9	173.6	-179.9	0	0	111.9	I71 E77 Q78 I112	I71-E74 HydrophobicContact CB-CB 4.43Å; I71-E74 HydrophobicContact CB-CG 4.08Å; I71-E74 VanDerWaalsContact CD1-OE1 3.24Å; I71-E74 WeakPolarHBondContact CD1-OE1 3.44Å; I71-E74 HydrophobicContact CG2-CB 4.41Å; I71-E74 HydrophobicContact CG2-CG 3.76Å; I71-E74 PolarHBondContact O-N 3.46Å; E74-E77 PolarHBondContact O-N 3.15Å; E74-Q78 PolarHBondContact O-N 3.02Å; E74-I112 HydrophobicContact CB-CG2 3.64Å
75	I	90	Very high	90	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-71.1	-32.6	177.8	-165.5	162.3	0	0	0	112.3	I70 I71 V73 Q78 S79 F82 F105 I109 I112	I70-I75 HydrophobicContact CD1-CG2 4.02Å; I71-I75 PolarHBondContact O-N 2.59Å; V73-I75 VanDerWaalsContact C-N 3.33Å; V73-I75 PolarHBondContact O-N 2.77Å; I75-Q78 PolarHBondContact O-N 2.98Å; I75-S79 WeakPolarHBondContact O-CA 3.47Å; I75-S79 WeakPolarHBondContact O-CB 3.39Å; I75-S79 PolarHBondContact O-N 3.09Å; I75-F82 HydrophobicContact CD1-CD2 3.62Å; I75-F82 HydrophobicContact CD1-CE1 4.37Å; I75-F82 HydrophobicContact CD1-CE2 3.43Å; I75-F82 VanDerWaalsContact CD1-CE2 3.43Å; I75-F82 HydrophobicContact CD1-CG 4.18Å; I75-F82 HydrophobicContact CD1-CZ 3.85Å; I75-F82 HydrophobicContact CG1-CB 4.37Å; I75-F82 HydrophobicContact CG1-CD2 3.57Å; I75-F82 HydrophobicContact CG1-CE2 3.96Å; I75-F82 HydrophobicContact CG1-CG 3.94Å; I75-F82 HydrophobicContact CG2-CB 4.17Å; I75-F82 HydrophobicContact CG2-CD1 4.12Å; I75-F82 HydrophobicContact CG2-CD2 4.5Å; I75-F82 HydrophobicContact CG2-CG 4.01Å; I75-F105 HydrophobicContact CD1-CE2 3.97Å; I75-F105 HydrophobicContact CD1-CZ 3.78Å; I75-I109 HydrophobicContact CD1-CD1 4.31Å; I75-I112 HydrophobicContact CB-CD1 3.99Å; I75-I112 HydrophobicContact CD1-CD1 4.01Å; I75-I112 HydrophobicContact CG1-CD1 3.68Å
76	A	90.2	Very high	90	Very high	23 Å²	23	56.6 Å²	56.6	19%	0.19	28%	0.277	C	S	.	.	H	α-helix	trans	-69.7	-33.5	175.1	0	0	0	0	0	113.2	S72 V73 Q78 D83 L86	S72-A76 WeakPolarHBondContact O-CB 3.43Å; S72-A76 PolarHBondContact O-N 3.09Å; V73-A76 PolarHBondContact O-N 3.14Å; V73-A76 VanDerWaalsContact O-N 3.08Å; A76-Q78 VanDerWaalsContact C-N 3.29Å; A76-Q78 PolarHBondContact O-N 2.9Å; A76-D83 HydrophobicContact CB-CB 4.49Å; A76-L86 HydrophobicContact CB-CD1 4.04Å
77	E	90.1	Very high	89.7	Confident	150 Å²	150	60 Å²	60	70%	0.701	29%	0.29	S	S	*	.	H	α-helix	trans	-65.9	-31.9	176	-73.3	-173.6	173.4	0	0	112.5	V73 E74	V73-E77 PolarHBondContact O-N 2.95Å; E74-E77 PolarHBondContact O-N 3.15Å
78	Q	90.2	Very high	89.1	Confident	81 Å²	81	66 Å²	66	38%	0.379	31%	0.305	S	S	.	.	H	α-helix	trans	-91.3	-34.6	177.4	-58	-59.1	-55.9	0	0	113.2	E74 I75 A76 Y111 I112 L136	E74-Q78 PolarHBondContact O-N 3.02Å; I75-Q78 PolarHBondContact O-N 2.98Å; A76-Q78 VanDerWaalsContact C-N 3.29Å; A76-Q78 PolarHBondContact O-N 2.9Å; Q78-Y111 PolarHBondContact OE1-OH 3.08Å; Q78-I112 HydrophobicContact CG-CG1 4.3Å; Q78-L136 HydrophobicContact CB-CD2 3.58Å
79	S	93.4	Very high	88.5	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	30%	0.302	C	S	.	.			trans	-110.1	116.3	-171.8	172.9	0	0	0	0	113.1	I75 Y81 F82 D83 L134	I75-S79 WeakPolarHBondContact O-CA 3.47Å; I75-S79 WeakPolarHBondContact O-CB 3.39Å; I75-S79 PolarHBondContact O-N 3.09Å; S79-Y81 PolarHBondContact O-N 3.35Å; S79-Y81 WeakPolarHBondContact OG-CB 3.04Å; S79-Y81 PolarHBondContact OG-N 3.49Å; S79-F82 PolarHBondContact O-N 2.85Å; S79-F82 PolarHBondContact OG-N 3.01Å; S79-F82 VanDerWaalsContact OG-N 3.17Å; S79-D83 PolarHBondContact O-N 3.32Å; S79-L134 WeakPolarHBondContact CB-O 3.12Å; S79-L134 PolarHBondContact OG-O 2.74Å
80	I	91.8	Very high	87.4	Confident	80 Å²	80	71.6 Å²	71.6	41%	0.41	33%	0.331	S	S	.	.	H	α-helix	trans	-61.8	-26.5	171.2	-59.6	174.4	0	0	0	111.5	R84 L135	I80-R84 WeakPolarHBondContact O-CB 3.38Å; I80-R84 WeakPolarHBondContact O-CD 3.46Å; I80-R84 VanDerWaalsContact O-CG 3.24Å; I80-R84 WeakPolarHBondContact O-CG 3.32Å; I80-R84 PolarHBondContact O-N 3.47Å; I80-L135 HydrophobicContact CB-CB 4.06Å; I80-L135 HydrophobicContact CB-CD1 4.17Å; I80-L135 HydrophobicContact CG2-CD1 4.16Å
81	Y	93.4	Very high	86.3	Confident	67 Å²	67	73.2 Å²	73.2	26%	0.263	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-51.7	173.6	177.9	-85.1	0	0	0	110.8	S79 R84 L85 L97 F133 L134	S79-Y81 PolarHBondContact O-N 3.35Å; S79-Y81 WeakPolarHBondContact OG-CB 3.04Å; S79-Y81 PolarHBondContact OG-N 3.49Å; Y81-R84 PolarHBondContact O-N 2.69Å; Y81-L85 HydrophobicContact CE1-CD2 3.92Å; Y81-L85 WeakPolarHBondContact O-CB 3.45Å; Y81-L85 PolarHBondContact O-N 3.28Å; Y81-L97 HydrophobicContact CE1-CD2 4.27Å; Y81-F133 HydrophobicContact CE2-CE1 4.28Å; Y81-L134 HydrophobicContact CD1-CD2 3.61Å; Y81-L134 HydrophobicContact CE1-CD2 3.88Å; Y81-L134 HydrophobicContact CG-CD2 3.99Å
82	F	92.4	Very high	85.3	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-69.9	-39.9	-179.9	-80.3	-83.4	0	0	0	113	I59 I70 I75 S79 R84 L85 L86 I95 L97 F105 L134	I59-F82 HydrophobicContact CD1-CE1 4.02Å; I59-F82 HydrophobicContact CD1-CZ 3.67Å; I70-F82 HydrophobicContact CD1-CE1 4.26Å; I75-F82 HydrophobicContact CD1-CD2 3.62Å; I75-F82 HydrophobicContact CD1-CE1 4.37Å; I75-F82 HydrophobicContact CD1-CE2 3.43Å; I75-F82 VanDerWaalsContact CD1-CE2 3.43Å; I75-F82 HydrophobicContact CD1-CG 4.18Å; I75-F82 HydrophobicContact CD1-CZ 3.85Å; I75-F82 HydrophobicContact CG1-CB 4.37Å; I75-F82 HydrophobicContact CG1-CD2 3.57Å; I75-F82 HydrophobicContact CG1-CE2 3.96Å; I75-F82 HydrophobicContact CG1-CG 3.94Å; I75-F82 HydrophobicContact CG2-CB 4.17Å; I75-F82 HydrophobicContact CG2-CD1 4.12Å; I75-F82 HydrophobicContact CG2-CD2 4.5Å; I75-F82 HydrophobicContact CG2-CG 4.01Å; S79-F82 PolarHBondContact O-N 2.85Å; S79-F82 PolarHBondContact OG-N 3.01Å; S79-F82 VanDerWaalsContact OG-N 3.17Å; F82-R84 PolarHBondContact O-N 2.86Å; F82-L85 HydrophobicContact CD1-CD2 4.28Å; F82-L85 HydrophobicContact CE1-CD2 4.31Å; F82-L85 PolarHBondContact O-N 3.06Å; F82-L86 HydrophobicContact CB-CD1 4.23Å; F82-L86 HydrophobicContact CD1-CD1 4.45Å; F82-L86 WeakPolarHBondContact O-CB 3.26Å; F82-L86 WeakPolarHBondContact O-CD1 3.1Å; F82-L86 WeakPolarHBondContact O-CG 3.41Å; F82-L86 PolarHBondContact O-N 2.77Å; F82-I95 HydrophobicContact CD1-CD1 4.5Å; F82-I95 HydrophobicContact CE1-CD1 4.14Å; F82-I95 HydrophobicContact CE1-CG2 4.18Å; F82-L97 HydrophobicContact CZ-CD1 4.37Å; F82-F105 HydrophobicContact CE2-CE2 4.34Å; F82-F105 HydrophobicContact CZ-CE2 4.41Å; F82-L134 HydrophobicContact CD2-CD2 4.47Å; F82-L134 HydrophobicContact CE2-CD1 4.16Å; F82-L134 HydrophobicContact CE2-CD2 3.78Å; F82-L134 HydrophobicContact CE2-CG 4.47Å
83	D	91	Very high	84.5	Confident	56 Å²	56	78.2 Å²	78.2	30%	0.299	39%	0.393	S	S	.	.	H	α-helix	trans	-51.8	-43.9	172	170.8	79	0	0	0	112.3	A76 S79 K87	A76-D83 HydrophobicContact CB-CB 4.49Å; S79-D83 PolarHBondContact O-N 3.32Å; D83-K87 WeakPolarHBondContact O-CD 3.34Å; D83-K87 WeakPolarHBondContact O-CE 3.48Å; D83-K87 VanDerWaalsContact O-CG 3.23Å; D83-K87 WeakPolarHBondContact O-CG 3.48Å; D83-K87 WeakPolarHBondContact OD1-CE 3.22Å; D83-K87 IonicContact OD1-NZ 3.61Å; D83-K87 PolarHBondContact OD1-NZ 3.45Å; D83-K87 IonicContact OD2-NZ 2.61Å; D83-K87 PolarHBondContact OD2-NZ 2.88Å
84	R	91.4	Very high	84.4	Confident	154 Å²	154	77.2 Å²	77.2	58%	0.581	38%	0.384	S	S	*	.	H	α-helix	trans	-74.1	-46.4	177.2	-70.4	173.7	-178	-176.1	3.3	111.8	I80 Y81 F82 L86 K87 Y88	I80-R84 WeakPolarHBondContact O-CB 3.38Å; I80-R84 WeakPolarHBondContact O-CD 3.46Å; I80-R84 VanDerWaalsContact O-CG 3.24Å; I80-R84 WeakPolarHBondContact O-CG 3.32Å; I80-R84 PolarHBondContact O-N 3.47Å; Y81-R84 PolarHBondContact O-N 2.69Å; F82-R84 PolarHBondContact O-N 2.86Å; R84-L86 PolarHBondContact O-N 3.47Å; R84-K87 PolarHBondContact O-N 3.45Å; R84-Y88 VanDerWaalsContact O-CD2 3.26Å; R84-Y88 WeakPolarHBondContact O-CD2 3.45Å
85	L	90	Very high	84.4	Confident	46 Å²	46	74 Å²	74	24%	0.241	37%	0.369	C	S	.	.	H	α-helix	trans	-57.6	-51.3	-178	179.4	63.4	0	0	0	111.2	Y81 F82 K87 Y88 H89 I95	Y81-L85 HydrophobicContact CE1-CD2 3.92Å; Y81-L85 WeakPolarHBondContact O-CB 3.45Å; Y81-L85 PolarHBondContact O-N 3.28Å; F82-L85 HydrophobicContact CD1-CD2 4.28Å; F82-L85 HydrophobicContact CE1-CD2 4.31Å; F82-L85 PolarHBondContact O-N 3.06Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.23Å; L85-Y88 PolarHBondContact O-N 3.23Å; L85-Y88 VanDerWaalsContact O-N 3.1Å; L85-H89 HydrophobicContact CD1-CB 4.31Å; L85-H89 HydrophobicContact CG-CB 4.38Å; L85-H89 VanDerWaalsContact O-CB 3.25Å; L85-H89 WeakPolarHBondContact O-CB 3.46Å; L85-H89 PolarHBondContact O-N 3.04Å; L85-I95 HydrophobicContact CD2-CD1 4.13Å; L85-I95 HydrophobicContact CD2-CG1 4.35Å; L85-I95 HydrophobicContact CD2-CG2 3.67Å
86	L	87.7	Confident	84.4	Confident	42 Å²	42	81.6 Å²	81.6	22%	0.22	40%	0.398	C	S	.	.	H	α-helix	trans	-68.4	-24.7	-174.1	-67.4	162.5	0	0	0	113.1	S72 A76 F82 R84 Y88 I95	S72-L86 WeakPolarHBondContact O-CD1 3.47Å; A76-L86 HydrophobicContact CB-CD1 4.04Å; F82-L86 HydrophobicContact CB-CD1 4.23Å; F82-L86 HydrophobicContact CD1-CD1 4.45Å; F82-L86 WeakPolarHBondContact O-CB 3.26Å; F82-L86 WeakPolarHBondContact O-CD1 3.1Å; F82-L86 WeakPolarHBondContact O-CG 3.41Å; F82-L86 PolarHBondContact O-N 2.77Å; R84-L86 PolarHBondContact O-N 3.47Å; L86-Y88 VanDerWaalsContact C-N 3.28Å; L86-Y88 PolarHBondContact O-N 3Å; L86-I95 HydrophobicContact CD2-CD1 4.08Å
87	K	85	Confident	84.5	Confident	129 Å²	129	80.5 Å²	80.5	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-66.5	-27	172.5	-75.2	167.9	-168.4	168.7	0	113.6	D83 R84 L85	D83-K87 WeakPolarHBondContact O-CD 3.34Å; D83-K87 WeakPolarHBondContact O-CE 3.48Å; D83-K87 VanDerWaalsContact O-CG 3.23Å; D83-K87 WeakPolarHBondContact O-CG 3.48Å; D83-K87 WeakPolarHBondContact OD1-CE 3.22Å; D83-K87 IonicContact OD1-NZ 3.61Å; D83-K87 PolarHBondContact OD1-NZ 3.45Å; D83-K87 IonicContact OD2-NZ 2.61Å; D83-K87 PolarHBondContact OD2-NZ 2.88Å; R84-K87 PolarHBondContact O-N 3.45Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.23Å
88	Y	79.4	Confident	84.7	Confident	199 Å²	199	74.7 Å²	74.7	78%	0.78	36%	0.364	S	S	*	.	H	α-helix	trans	-106.5	-29.9	178.7	-62	-71.9	0	0	0	113	R84 L85 L86 K90	R84-Y88 VanDerWaalsContact O-CD2 3.26Å; R84-Y88 WeakPolarHBondContact O-CD2 3.45Å; L85-Y88 PolarHBondContact O-N 3.23Å; L85-Y88 VanDerWaalsContact O-N 3.1Å; L86-Y88 VanDerWaalsContact C-N 3.28Å; L86-Y88 PolarHBondContact O-N 3Å; Y88-K90 VanDerWaalsContact C-N 3.3Å; Y88-K90 PolarHBondContact O-N 3.17Å
89	H	74.5	Confident	84.9	Confident	62 Å²	62	73.2 Å²	73.2	29%	0.287	36%	0.357	S	S	.	.			trans	-79.5	71.3	-178.2	-165.5	-83.6	0	0	0	112.5	L85 G91	L85-H89 HydrophobicContact CD1-CB 4.31Å; L85-H89 HydrophobicContact CG-CB 4.38Å; L85-H89 VanDerWaalsContact O-CB 3.25Å; L85-H89 WeakPolarHBondContact O-CB 3.46Å; L85-H89 PolarHBondContact O-N 3.04Å; H89-G91 PolarHBondContact ND1-O 3.18Å; H89-G91 PolarHBondContact O-N 3.07Å; H89-G91 VanDerWaalsContact O-N 3.11Å
90	K	66.6	Low	84.8	Confident	197 Å²	197	78.6 Å²	78.6	86%	0.857	38%	0.381	S	S	*	.			trans	-68.6	-2.5	178.3	-63.6	-174.1	178.6	-176.9	0	114.8	Y88	Y88-K90 VanDerWaalsContact C-N 3.3Å; Y88-K90 PolarHBondContact O-N 3.17Å
91	G	65.2	Low	84.8	Confident	35 Å²	35	74.8 Å²	74.8	36%	0.361	36%	0.361	S	S	.	.	S	Bend	trans	-80.3	156.4	178.2	0	0	0	0	0	113.4	R57 H89 G93	R57-G91 PolarHBondContact NE-O 3.31Å; R57-G91 PolarHBondContact NH2-O 3.13Å; R57-G91 VanDerWaalsContact NH2-O 3.12Å; H89-G91 PolarHBondContact ND1-O 3.18Å; H89-G91 PolarHBondContact O-N 3.07Å; H89-G91 VanDerWaalsContact O-N 3.11Å; G91-G93 VanDerWaalsContact C-N 3.34Å
92	S	65.7	Low	84.8	Confident	114 Å²	114	73.3 Å²	73.3	80%	0.797	36%	0.356	S	S	*	.			trans	-92.5	10.5	168	61	0	0	0	0	113.1
93	G	71.4	Confident	84.6	Confident	39 Å²	39	78 Å²	78	40%	0.402	38%	0.38	S	S	.	.	S	Bend	trans	-78	161	176.4	0	0	0	0	0	112.7	G91	G91-G93 VanDerWaalsContact C-N 3.34Å
94	N	83.6	Confident	84.6	Confident	71 Å²	71	75.4 Å²	75.4	38%	0.38	37%	0.366	S	S	.	.			trans	-59.5	139.8	179.4	-61.4	-8.4	0	0	0	111.8	T58 E60 R96	T58-N94 CarbonylContact O-C 3.55Å; T58-N94 VanDerWaalsContact O-CA 3.32Å; T58-N94 WeakPolarHBondContact O-CA 3.21Å; E60-N94 HydrophobicContact CB-CB 3.88Å; E60-N94 WeakPolarHBondContact OE2-CB 3.49Å; E60-N94 PolarHBondContact OE2-ND2 3.25Å; N94-R96 PolarHBondContact O-N 3.17Å
95	I	89.1	Confident	84.6	Confident	6 Å²	6	68 Å²	68	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	112.4	172.6	-66.8	170.6	0	0	0	108.3	T58 I59 E60 F82 L85 L86	T58-I95 PolarHBondContact O-N 2.92Å; I59-I95 CarbonylContact C-O 3.58Å; I59-I95 VanDerWaalsContact CA-O 3.26Å; I59-I95 WeakPolarHBondContact CA-O 3.21Å; I59-I95 HydrophobicContact CG1-CB 4.04Å; I59-I95 HydrophobicContact CG1-CG2 4.23Å; E60-I95 PolarHBondContact N-O 3.38Å; F82-I95 HydrophobicContact CD1-CD1 4.5Å; F82-I95 HydrophobicContact CE1-CD1 4.14Å; F82-I95 HydrophobicContact CE1-CG2 4.18Å; L85-I95 HydrophobicContact CD2-CD1 4.13Å; L85-I95 HydrophobicContact CD2-CG1 4.35Å; L85-I95 HydrophobicContact CD2-CG2 3.67Å; L86-I95 HydrophobicContact CD2-CD1 4.08Å
96	R	90.8	Very high	84.5	Confident	161 Å²	161	68.5 Å²	68.5	61%	0.608	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.6	-179.5	-76.2	-178.1	167.2	170.9	-5.9	112.5	E60 M62 N94	E60-R96 HydrophobicContact CB-CG 4.26Å; E60-R96 HydrophobicContact CG-CG 4.49Å; E60-R96 VanDerWaalsContact O-CA 3.28Å; E60-R96 WeakPolarHBondContact O-CA 3.35Å; E60-R96 IonicContact OE1-CZ 3.62Å; E60-R96 IonicContact OE1-NE 2.68Å; E60-R96 PolarHBondContact OE1-NE 3.38Å; E60-R96 IonicContact OE1-NH2 2.67Å; E60-R96 PolarHBondContact OE1-NH2 3.23Å; E60-R96 IonicContact OE2-NE 2.68Å; M62-R96 HydrophobicContact CE-CB 3.97Å; N94-R96 PolarHBondContact O-N 3.17Å
97	L	92.6	Very high	84.5	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.3	175.3	-71.3	-170.4	0	0	0	111.3	I59 E60 F61 M62 Y81 F82 L101 F105 L134	I59-L97 HydrophobicContact CD1-CD1 4.12Å; I59-L97 HydrophobicContact CG2-CB 4.25Å; I59-L97 HydrophobicContact CG2-CD1 3.86Å; I59-L97 HydrophobicContact CG2-CG 3.97Å; E60-L97 PolarHBondContact O-N 3.41Å; F61-L97 CarbonylContact C-O 3.52Å; F61-L97 WeakPolarHBondContact CA-O 3.15Å; F61-L97 HydrophobicContact CD1-CB 3.96Å; F61-L97 HydrophobicContact CE1-CB 3.93Å; F61-L97 HydrophobicContact CE1-CD1 4.18Å; M62-L97 WeakPolarHBondContact CG-O 3.01Å; M62-L97 PolarHBondContact N-O 2.92Å; Y81-L97 HydrophobicContact CE1-CD2 4.27Å; F82-L97 HydrophobicContact CZ-CD1 4.37Å; L97-L101 HydrophobicContact CB-CD1 4.15Å; L97-L101 HydrophobicContact CD1-CD1 4.36Å; L97-L101 HydrophobicContact CD2-CD1 4.38Å; L97-F105 HydrophobicContact CD1-CD2 4.06Å; L97-F105 HydrophobicContact CD1-CE2 3.99Å; L97-L134 HydrophobicContact CD2-CD2 4.35Å
98	P	93.8	Very high	84.8	Confident	29 Å²	29	61.1 Å²	61.1	19%	0.188	31%	0.314	C	S	.	.			trans	-54.3	141.9	172.1	-28.9	34.9	0	0	0	114.4	M62 F100 L101 F133	M62-P98 HydrophobicContact SD-CG 4.4Å; P98-F100 VanDerWaalsContact C-N 3.27Å; P98-F100 HydrophobicContact CB-CD1 3.51Å; P98-F100 HydrophobicContact CB-CE1 3.33Å; P98-F100 HydrophobicContact CB-CG 4.47Å; P98-F100 HydrophobicContact CB-CZ 4.18Å; P98-F100 HydrophobicContact CG-CE1 3.93Å; P98-F100 PolarHBondContact O-N 3.42Å; P98-L101 HydrophobicContact CB-CD1 4.38Å; P98-L101 HydrophobicContact CG-CD1 4.34Å; P98-L101 WeakPolarHBondContact O-CB 3.36Å; P98-L101 PolarHBondContact O-N 2.81Å; P98-L101 VanDerWaalsContact O-N 3.15Å; P98-F133 HydrophobicContact CG-CZ 4.2Å
99	E	93.4	Very high	85.2	Confident	50 Å²	50	52.8 Å²	52.8	23%	0.234	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.3	-36.8	-177.7	-176.7	65.3	-179.7	0	0	112.7	F61 M62 E63 S64 L101 K102	F61-E99 WeakPolarHBondContact CB-OE2 3.3Å; M62-E99 WeakPolarHBondContact O-CB 3.35Å; E63-E99 HydrophobicContact CB-CB 4.47Å; S64-E99 WeakPolarHBondContact CB-OE1 3.3Å; S64-E99 WeakPolarHBondContact CB-OE2 3.23Å; S64-E99 VanDerWaalsContact OG-CD 3.27Å; S64-E99 PolarHBondContact OG-OE1 3.11Å; S64-E99 PolarHBondContact OG-OE2 3.43Å; E99-L101 PolarHBondContact O-N 3.38Å; E99-K102 VanDerWaalsContact CD-CD 3.47Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.23Å; E99-K102 WeakPolarHBondContact OE1-CD 3.24Å; E99-K102 WeakPolarHBondContact OE1-CE 3.43Å; E99-K102 IonicContact OE1-NZ 2.68Å; E99-K102 PolarHBondContact OE1-NZ 2.89Å; E99-K102 WeakPolarHBondContact OE2-CD 3.45Å; E99-K102 IonicContact OE2-NZ 3.57Å
100	F	91.1	Very high	85.7	Confident	114 Å²	114	54 Å²	54	50%	0.5	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-60.2	-19.7	-178	74.6	-99.9	0	0	0	114.1	P98 V129 F133	P98-F100 VanDerWaalsContact C-N 3.27Å; P98-F100 HydrophobicContact CB-CD1 3.51Å; P98-F100 HydrophobicContact CB-CE1 3.33Å; P98-F100 HydrophobicContact CB-CG 4.47Å; P98-F100 HydrophobicContact CB-CZ 4.18Å; P98-F100 HydrophobicContact CG-CE1 3.93Å; P98-F100 PolarHBondContact O-N 3.42Å; F100-V129 HydrophobicContact CD2-CG1 3.98Å; F100-V129 HydrophobicContact CE2-CG1 3.86Å; F100-F133 HydrophobicContact CE2-CD2 4.46Å; F100-F133 AromaticContact CZ-CD2 3.91Å; F100-F133 HydrophobicContact CZ-CD2 3.91Å; F100-F133 HydrophobicContact CZ-CE2 4.06Å
101	L	93.7	Very high	86.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-78.8	-24.2	177.3	-62	171	0	0	0	112.8	F61 L97 P98 E99 I103 G104 F105 A130 F133	F61-L101 HydrophobicContact CE1-CB 4.28Å; L97-L101 HydrophobicContact CB-CD1 4.15Å; L97-L101 HydrophobicContact CD1-CD1 4.36Å; L97-L101 HydrophobicContact CD2-CD1 4.38Å; P98-L101 HydrophobicContact CB-CD1 4.38Å; P98-L101 HydrophobicContact CG-CD1 4.34Å; P98-L101 WeakPolarHBondContact O-CB 3.36Å; P98-L101 PolarHBondContact O-N 2.81Å; P98-L101 VanDerWaalsContact O-N 3.15Å; E99-L101 PolarHBondContact O-N 3.38Å; L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 3.46Å; L101-I103 VanDerWaalsContact O-N 3.14Å; L101-G104 PolarHBondContact O-N 3.07Å; L101-G104 VanDerWaalsContact O-N 3.14Å; L101-F105 VanDerWaalsContact O-CB 3.31Å; L101-F105 WeakPolarHBondContact O-CB 3.39Å; L101-F105 PolarHBondContact O-N 2.95Å; L101-A130 HydrophobicContact CD2-CB 3.96Å; L101-F133 HydrophobicContact CD1-CD1 3.56Å; L101-F133 HydrophobicContact CD1-CE1 3.64Å; L101-F133 HydrophobicContact CD1-CG 4.19Å; L101-F133 HydrophobicContact CD1-CZ 4.31Å; L101-F133 HydrophobicContact CD2-CB 3.8Å; L101-F133 HydrophobicContact CD2-CD1 3.98Å; L101-F133 HydrophobicContact CD2-CG 3.87Å; L101-F133 HydrophobicContact CG-CD1 4.41Å
102	K	91.9	Very high	87.7	Confident	36 Å²	36	44.6 Å²	44.6	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-50.5	-41.5	-168.2	178.8	173.9	171.8	171.7	0	114.9	F61 S64 D66 E99 S106	F61-K102 HydrophobicContact CB-CD 4.39Å; F61-K102 HydrophobicContact CD1-CB 3.91Å; F61-K102 HydrophobicContact CD2-CB 4.14Å; F61-K102 HydrophobicContact CD2-CD 4.26Å; F61-K102 HydrophobicContact CD2-CG 3.91Å; F61-K102 HydrophobicContact CE1-CB 4.08Å; F61-K102 HydrophobicContact CE2-CB 4.29Å; F61-K102 HydrophobicContact CE2-CG 4.14Å; F61-K102 HydrophobicContact CG-CB 3.96Å; F61-K102 HydrophobicContact CG-CD 4.29Å; F61-K102 HydrophobicContact CG-CG 4.16Å; F61-K102 HydrophobicContact CZ-CB 4.27Å; S64-K102 PolarHBondContact OG-NZ 3.44Å; D66-K102 HydrophobicContact CB-CD 4.32Å; D66-K102 IonicContact OD1-NZ 3.15Å; D66-K102 PolarHBondContact OD1-NZ 3.43Å; D66-K102 VanDerWaalsContact OD2-CE 3.27Å; D66-K102 WeakPolarHBondContact OD2-CE 3.46Å; D66-K102 IonicContact OD2-NZ 2.69Å; E99-K102 VanDerWaalsContact CD-CD 3.47Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.23Å; E99-K102 WeakPolarHBondContact OE1-CD 3.24Å; E99-K102 WeakPolarHBondContact OE1-CE 3.43Å; E99-K102 IonicContact OE1-NZ 2.68Å; E99-K102 PolarHBondContact OE1-NZ 2.89Å; E99-K102 WeakPolarHBondContact OE2-CD 3.45Å; E99-K102 IonicContact OE2-NZ 3.57Å; K102-S106 PolarHBondContact O-OG 2.88Å
103	I	89.1	Confident	88.6	Confident	99 Å²	99	44.4 Å²	44.4	51%	0.508	22%	0.219	S	C	.	.	H	α-helix	trans	-66.7	-58.5	178.8	-57.6	175.5	0	0	0	109.7	L101 F105 S106 H126	L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 3.46Å; L101-I103 VanDerWaalsContact O-N 3.14Å; I103-F105 VanDerWaalsContact C-N 3.27Å; I103-F105 PolarHBondContact O-N 3.12Å; I103-S106 WeakPolarHBondContact O-CB 3.34Å; I103-S106 PolarHBondContact O-N 2.87Å; I103-H126 HydrophobicContact CB-CB 3.98Å; I103-H126 HydrophobicContact CG2-CB 3.75Å
104	G	90.3	Very high	89.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-26.9	-179.6	0	0	0	0	0	114.2	L101 S106 S107 I108 H126	L101-G104 PolarHBondContact O-N 3.07Å; L101-G104 VanDerWaalsContact O-N 3.14Å; G104-S106 PolarHBondContact O-N 3.42Å; G104-S107 WeakPolarHBondContact O-CB 3.45Å; G104-S107 PolarHBondContact O-N 3.48Å; G104-S107 VanDerWaalsContact O-N 3.16Å; G104-I108 WeakPolarHBondContact O-CG1 3.19Å; G104-I108 PolarHBondContact O-N 2.67Å; G104-H126 WeakPolarHBondContact CA-O 3.5Å
105	F	92.4	Very high	88.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-30	177.1	-163.3	-97.4	0	0	0	112.5	I59 F61 I70 I75 F82 L97 L101 I103 I108 I109 L134	I59-F105 HydrophobicContact CD1-CE1 3.68Å; I59-F105 HydrophobicContact CD1-CE2 3.93Å; I59-F105 HydrophobicContact CD1-CZ 3.19Å; F61-F105 HydrophobicContact CE1-CB 4.24Å; F61-F105 HydrophobicContact CE1-CG 4.4Å; F61-F105 HydrophobicContact CE2-CD1 4.49Å; F61-F105 HydrophobicContact CZ-CB 3.76Å; F61-F105 AromaticContact CZ-CD1 3.74Å; F61-F105 HydrophobicContact CZ-CD1 3.74Å; F61-F105 AromaticContact CZ-CG 3.79Å; F61-F105 HydrophobicContact CZ-CG 3.79Å; I70-F105 HydrophobicContact CG2-CE1 4.25Å; I70-F105 HydrophobicContact CG2-CZ 4.27Å; I75-F105 HydrophobicContact CD1-CE2 3.97Å; I75-F105 HydrophobicContact CD1-CZ 3.78Å; F82-F105 HydrophobicContact CE2-CE2 4.34Å; F82-F105 HydrophobicContact CZ-CE2 4.41Å; L97-F105 HydrophobicContact CD1-CD2 4.06Å; L97-F105 HydrophobicContact CD1-CE2 3.99Å; L101-F105 VanDerWaalsContact O-CB 3.31Å; L101-F105 WeakPolarHBondContact O-CB 3.39Å; L101-F105 PolarHBondContact O-N 2.95Å; I103-F105 VanDerWaalsContact C-N 3.27Å; I103-F105 PolarHBondContact O-N 3.12Å; F105-I108 HydrophobicContact CD2-CD1 4.47Å; F105-I108 HydrophobicContact CE2-CG2 4.41Å; F105-I108 WeakPolarHBondContact O-CB 3.28Å; F105-I108 PolarHBondContact O-N 3.29Å; F105-I109 HydrophobicContact CD1-CD1 4.5Å; F105-I109 HydrophobicContact CD1-CG1 3.83Å; F105-I109 HydrophobicContact CE1-CD1 3.6Å; F105-I109 HydrophobicContact CE1-CG1 3.37Å; F105-I109 HydrophobicContact CZ-CD1 3.68Å; F105-I109 HydrophobicContact CZ-CG1 3.93Å; F105-I109 PolarHBondContact O-N 3.42Å; F105-L134 HydrophobicContact CD2-CD1 3.63Å; F105-L134 HydrophobicContact CE2-CD1 3.69Å
106	S	87	Confident	88.3	Confident	56 Å²	56	50.8 Å²	50.8	39%	0.392	25%	0.254	S	S	.	.	H	α-helix	trans	-64.9	-41.9	174.3	-57.6	0	0	0	0	111.1	K102 I103 G104 I108 K110	K102-S106 PolarHBondContact O-OG 2.88Å; I103-S106 WeakPolarHBondContact O-CB 3.34Å; I103-S106 PolarHBondContact O-N 2.87Å; G104-S106 PolarHBondContact O-N 3.42Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-I108 PolarHBondContact O-N 3.38Å; S106-K110 PolarHBondContact O-N 2.89Å; S106-K110 VanDerWaalsContact O-N 3.17Å
107	S	87.6	Confident	87.6	Confident	15 Å²	15	44.3 Å²	44.3	11%	0.105	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-37.3	171.5	-47.2	0	0	0	0	112.5	G104 K110 Y111 N123 T127	G104-S107 WeakPolarHBondContact O-CB 3.45Å; G104-S107 PolarHBondContact O-N 3.48Å; G104-S107 VanDerWaalsContact O-N 3.16Å; S107-K110 PolarHBondContact O-N 3.32Å; S107-Y111 WeakPolarHBondContact O-CB 3.28Å; S107-Y111 PolarHBondContact O-N 3.43Å; S107-N123 PolarHBondContact OG-ND2 2.97Å; S107-T127 VanDerWaalsContact CB-OG1 3.26Å; S107-T127 WeakPolarHBondContact CB-OG1 3.5Å; S107-T127 PolarHBondContact OG-OG1 3.47Å
108	I	90.8	Very high	87.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-46.9	178.6	-72.8	168.3	0	0	0	111.6	G104 F105 S106 K110 Y111 I112 A130 L134 L136 L139	G104-I108 WeakPolarHBondContact O-CG1 3.19Å; G104-I108 PolarHBondContact O-N 2.67Å; F105-I108 HydrophobicContact CD2-CD1 4.47Å; F105-I108 HydrophobicContact CE2-CG2 4.41Å; F105-I108 WeakPolarHBondContact O-CB 3.28Å; F105-I108 PolarHBondContact O-N 3.29Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-I108 PolarHBondContact O-N 3.38Å; I108-K110 VanDerWaalsContact C-N 3.28Å; I108-K110 PolarHBondContact O-N 3.46Å; I108-Y111 PolarHBondContact O-N 3.36Å; I108-I112 HydrophobicContact CG2-CD1 3.68Å; I108-I112 WeakPolarHBondContact O-CD1 3.43Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.18Å; I108-I112 PolarHBondContact O-N 3.11Å; I108-A130 HydrophobicContact CD1-CB 3.48Å; I108-A130 VanDerWaalsContact CD1-CB 3.48Å; I108-L134 HydrophobicContact CD1-CD1 3.94Å; I108-L136 HydrophobicContact CB-CD1 4.36Å; I108-L136 HydrophobicContact CD1-CD1 3.68Å; I108-L136 HydrophobicContact CG1-CD1 3.86Å; I108-L136 HydrophobicContact CG2-CD1 3.58Å; I108-L139 HydrophobicContact CG1-CD2 3.66Å
109	I	88.7	Confident	86.8	Confident	25 Å²	25	47.7 Å²	47.7	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-37.2	177	-66.5	-58.7	0	0	0	111.1	I70 I75 F105 I112 R113	I70-I109 HydrophobicContact CG2-CD1 3.64Å; I75-I109 HydrophobicContact CD1-CD1 4.31Å; F105-I109 HydrophobicContact CD1-CD1 4.5Å; F105-I109 HydrophobicContact CD1-CG1 3.83Å; F105-I109 HydrophobicContact CE1-CD1 3.6Å; F105-I109 HydrophobicContact CE1-CG1 3.37Å; F105-I109 HydrophobicContact CZ-CD1 3.68Å; F105-I109 HydrophobicContact CZ-CG1 3.93Å; F105-I109 PolarHBondContact O-N 3.42Å; I109-I112 HydrophobicContact CD1-CD1 4.44Å; I109-I112 PolarHBondContact O-N 3.18Å; I109-R113 HydrophobicContact CG2-CG 4.46Å; I109-R113 WeakPolarHBondContact O-CB 3.37Å; I109-R113 WeakPolarHBondContact O-CG 3.47Å; I109-R113 PolarHBondContact O-N 3.02Å
110	K	85.4	Confident	86.6	Confident	87 Å²	87	48.1 Å²	48.1	38%	0.378	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-47.9	173.4	-164.4	168.5	-173.3	-176	0	112	S106 S107 I108 I112 R113 E114 V118	S106-K110 PolarHBondContact O-N 2.89Å; S106-K110 VanDerWaalsContact O-N 3.17Å; S107-K110 PolarHBondContact O-N 3.32Å; I108-K110 VanDerWaalsContact C-N 3.28Å; I108-K110 PolarHBondContact O-N 3.46Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 2.81Å; K110-R113 PolarHBondContact O-N 2.64Å; K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 WeakPolarHBondContact CE-OE2 3.32Å; K110-E114 HydrophobicContact CG-CG 4.25Å; K110-E114 WeakPolarHBondContact CG-OE2 3.39Å; K110-E114 IonicContact NZ-OE1 2.77Å; K110-E114 WeakPolarHBondContact O-CB 3.47Å; K110-E114 PolarHBondContact O-N 3.45Å; K110-V118 HydrophobicContact CD-CB 4.04Å; K110-V118 HydrophobicContact CD-CG2 3.85Å; K110-V118 HydrophobicContact CG-CG2 4.26Å
111	Y	87.6	Confident	86.5	Confident	6 Å²	6	46.5 Å²	46.5	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-56.4	-41.3	174.7	165.2	-101.6	0	0	0	113	Q78 S107 I108 G115 P117 K138 L139	Q78-Y111 PolarHBondContact OE1-OH 3.08Å; S107-Y111 WeakPolarHBondContact O-CB 3.28Å; S107-Y111 PolarHBondContact O-N 3.43Å; I108-Y111 PolarHBondContact O-N 3.36Å; Y111-G115 VanDerWaalsContact O-CA 3.28Å; Y111-G115 WeakPolarHBondContact O-CA 3.34Å; Y111-G115 PolarHBondContact O-N 2.55Å; Y111-P117 HydrophobicContact CD2-CB 3.84Å; Y111-P117 HydrophobicContact CD2-CG 4.49Å; Y111-K138 WeakPolarHBondContact OH-CD 3.5Å; Y111-K138 PolarHBondContact OH-NZ 3.15Å; Y111-L139 HydrophobicContact CD1-CB 4.47Å; Y111-L139 HydrophobicContact CD1-CD2 4.09Å; Y111-L139 HydrophobicContact CD2-CD1 4.18Å; Y111-L139 HydrophobicContact CE1-CB 4.4Å; Y111-L139 HydrophobicContact CG-CD1 4.14Å; Y111-L139 HydrophobicContact CG-CD2 4.25Å
112	I	86.9	Confident	86.2	Confident	28 Å²	28	53 Å²	53	14%	0.144	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-44.6	178.8	-68.8	161.4	0	0	0	111.2	E74 I75 Q78 I108 I109 K110	E74-I112 HydrophobicContact CB-CG2 3.64Å; I75-I112 HydrophobicContact CB-CD1 3.99Å; I75-I112 HydrophobicContact CD1-CD1 4.01Å; I75-I112 HydrophobicContact CG1-CD1 3.68Å; Q78-I112 HydrophobicContact CG-CG1 4.3Å; I108-I112 HydrophobicContact CG2-CD1 3.68Å; I108-I112 WeakPolarHBondContact O-CD1 3.43Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.18Å; I108-I112 PolarHBondContact O-N 3.11Å; I109-I112 HydrophobicContact CD1-CD1 4.44Å; I109-I112 PolarHBondContact O-N 3.18Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 2.81Å
113	R	83	Confident	86.2	Confident	110 Å²	110	52.7 Å²	52.7	42%	0.415	29%	0.291	S	S	.	.	H	α-helix	trans	-73.7	-37.1	-177.9	-70.8	175.9	177.4	-178.3	-0.4	113.7	I109 K110	I109-R113 HydrophobicContact CG2-CG 4.46Å; I109-R113 WeakPolarHBondContact O-CB 3.37Å; I109-R113 WeakPolarHBondContact O-CG 3.47Å; I109-R113 PolarHBondContact O-N 3.02Å; K110-R113 PolarHBondContact O-N 2.64Å
114	E	82.3	Confident	86.3	Confident	107 Å²	107	48 Å²	48	50%	0.5	27%	0.267	S	S	.	.	H	α-helix	trans	-98.4	-13.9	-174.7	-62.9	-180	-179.7	0	0	113.4	K110 V116	K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 WeakPolarHBondContact CE-OE2 3.32Å; K110-E114 HydrophobicContact CG-CG 4.25Å; K110-E114 WeakPolarHBondContact CG-OE2 3.39Å; K110-E114 IonicContact NZ-OE1 2.77Å; K110-E114 WeakPolarHBondContact O-CB 3.47Å; K110-E114 PolarHBondContact O-N 3.45Å; E114-V116 PolarHBondContact O-N 3.44Å
115	G	78.8	Confident	86.3	Confident	45 Å²	45	52.4 Å²	52.4	46%	0.464	28%	0.284	S	S	.	.	S	Bend	trans	71.4	-12.6	-176.2	0	0	0	0	0	115.3	Y111	Y111-G115 VanDerWaalsContact O-CA 3.28Å; Y111-G115 WeakPolarHBondContact O-CA 3.34Å; Y111-G115 PolarHBondContact O-N 2.55Å
116	V	77.3	Confident	86.2	Confident	98 Å²	98	55.4 Å²	55.4	59%	0.594	30%	0.298	S	S	*	.	S	Bend	trans	-111.5	132.8	179.3	-177.4	0	0	0	0	109.2	E114 V118	E114-V116 PolarHBondContact O-N 3.44Å; V116-V118 PolarHBondContact O-N 3.22Å
117	P	75.6	Confident	86.5	Confident	26 Å²	26	52.8 Å²	52.8	17%	0.169	28%	0.28	C	S	.	.			trans	-77.6	116.9	178.4	32.6	-36.2	0	0	0	110.5	Y111 I119 L139 Q142	Y111-P117 HydrophobicContact CD2-CB 3.84Å; Y111-P117 HydrophobicContact CD2-CG 4.49Å; P117-I119 HydrophobicContact CB-CD1 4.26Å; P117-I119 HydrophobicContact CB-CG1 4.1Å; P117-I119 HydrophobicContact CB-CG2 4.23Å; P117-I119 HydrophobicContact CG-CD1 4.35Å; P117-I119 HydrophobicContact CG-CG1 4.37Å; P117-I119 PolarHBondContact O-N 2.68Å; P117-L139 HydrophobicContact CB-CD1 3.65Å; P117-Q142 HydrophobicContact CG-CB 4.46Å
118	V	82.2	Confident	86.8	Confident	63 Å²	63	52.2 Å²	52.2	38%	0.382	28%	0.276	S	S	.	.			trans	-83.3	75.2	168.7	-174.4	0	0	0	0	108.7	K110 V116 N123	K110-V118 HydrophobicContact CD-CB 4.04Å; K110-V118 HydrophobicContact CD-CG2 3.85Å; K110-V118 HydrophobicContact CG-CG2 4.26Å; V116-V118 PolarHBondContact O-N 3.22Å; V118-N123 PolarHBondContact O-ND2 2.95Å
119	I	88.2	Confident	86.8	Confident	36 Å²	36	53.1 Å²	53.1	19%	0.185	28%	0.281	C	S	.	.			trans	-106.1	137	177.3	52.9	176.7	0	0	0	110.9	P117 N123 T127 L139 Q142 L146	P117-I119 HydrophobicContact CB-CD1 4.26Å; P117-I119 HydrophobicContact CB-CG1 4.1Å; P117-I119 HydrophobicContact CB-CG2 4.23Å; P117-I119 HydrophobicContact CG-CD1 4.35Å; P117-I119 HydrophobicContact CG-CG1 4.37Å; P117-I119 PolarHBondContact O-N 2.68Å; I119-N123 VanDerWaalsContact CA-OD1 3.29Å; I119-N123 WeakPolarHBondContact CA-OD1 3.46Å; I119-T127 HydrophobicContact CG2-CG2 3.82Å; I119-L139 HydrophobicContact CG2-CD1 4.38Å; I119-Q142 HydrophobicContact CD1-CB 3.98Å; I119-Q142 WeakPolarHBondContact CD1-O 3.28Å; I119-L146 HydrophobicContact CB-CD2 4.07Å; I119-L146 HydrophobicContact CD1-CB 4.45Å; I119-L146 HydrophobicContact CD1-CD2 4.25Å; I119-L146 HydrophobicContact CG1-CD2 4.05Å
120	N	89.8	Confident	87	Confident	59 Å²	59	51.9 Å²	51.9	32%	0.316	28%	0.275	S	S	.	.			trans	-147.1	169.3	-179.1	77.8	-15.4	0	0	0	110.3	D122 N123 V124	N120-D122 PolarHBondContact ND2-OD2 2.85Å; N120-D122 PolarHBondContact O-N 3.44Å; N120-D122 VanDerWaalsContact O-N 3.14Å; N120-D122 PolarHBondContact OD1-N 2.83Å; N120-N123 PolarHBondContact N-OD1 2.69Å; N120-N123 PolarHBondContact O-N 3.33Å; N120-N123 VanDerWaalsContact O-N 3.12Å; N120-N123 PolarHBondContact O-OD1 2.94Å; N120-N123 WeakPolarHBondContact OD1-CB 3.38Å; N120-N123 PolarHBondContact OD1-N 2.96Å; N120-N123 PolarHBondContact OD1-OD1 3.08Å; N120-V124 VanDerWaalsContact O-CB 3.28Å; N120-V124 WeakPolarHBondContact O-CB 3.41Å; N120-V124 PolarHBondContact O-N 3.31Å
121	P	87.5	Confident	87.4	Confident	81 Å²	81	47.8 Å²	47.8	53%	0.526	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-33.2	-179.4	-30.5	38.2	0	0	0	114.8	M150	P121-M150 HydrophobicContact CB-CE 3.81Å; P121-M150 HydrophobicContact CB-SD 4.01Å; P121-M150 HydrophobicContact CG-CE 4.42Å; P121-M150 HydrophobicContact CG-SD 4.08Å
122	D	88.5	Confident	87.7	Confident	135 Å²	135	49.7 Å²	49.7	72%	0.722	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-34.8	-179.7	-43.1	-59.2	0	0	0	112.9	N120	N120-D122 PolarHBondContact ND2-OD2 2.85Å; N120-D122 PolarHBondContact O-N 3.44Å; N120-D122 VanDerWaalsContact O-N 3.14Å; N120-D122 PolarHBondContact OD1-N 2.83Å
123	N	90.9	Very high	88	Confident	30 Å²	30	52.1 Å²	52.1	16%	0.16	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-11.9	-172.1	84.7	7.5	0	0	0	114.6	S107 V118 I119 N120 Y125 H126 T127	S107-N123 PolarHBondContact OG-ND2 2.97Å; V118-N123 PolarHBondContact O-ND2 2.95Å; I119-N123 VanDerWaalsContact CA-OD1 3.29Å; I119-N123 WeakPolarHBondContact CA-OD1 3.46Å; N120-N123 PolarHBondContact N-OD1 2.69Å; N120-N123 PolarHBondContact O-N 3.33Å; N120-N123 VanDerWaalsContact O-N 3.12Å; N120-N123 PolarHBondContact O-OD1 2.94Å; N120-N123 WeakPolarHBondContact OD1-CB 3.38Å; N120-N123 PolarHBondContact OD1-N 2.96Å; N120-N123 PolarHBondContact OD1-OD1 3.08Å; N123-Y125 VanDerWaalsContact C-N 3.29Å; N123-Y125 PolarHBondContact O-N 3.37Å; N123-H126 PolarHBondContact O-N 3.23Å; N123-T127 VanDerWaalsContact O-CB 3.32Å; N123-T127 WeakPolarHBondContact O-CB 3.49Å; N123-T127 PolarHBondContact O-N 2.8Å; N123-T127 PolarHBondContact O-OG1 3.26Å
124	V	91.9	Very high	88.6	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-38.6	-171.4	63.3	0	0	0	0	112.1	N120 F128 C143 L146 F147 M150	N120-V124 VanDerWaalsContact O-CB 3.28Å; N120-V124 WeakPolarHBondContact O-CB 3.41Å; N120-V124 PolarHBondContact O-N 3.31Å; V124-F128 VanDerWaalsContact O-CB 3.23Å; V124-F128 WeakPolarHBondContact O-CB 3.23Å; V124-F128 PolarHBondContact O-N 3.24Å; V124-C143 HydrophobicContact CG2-CB 3.93Å; V124-L146 HydrophobicContact CB-CD2 3.95Å; V124-L146 HydrophobicContact CG2-CB 4.25Å; V124-L146 HydrophobicContact CG2-CD2 3.9Å; V124-L146 HydrophobicContact CG2-CG 4.18Å; V124-F147 HydrophobicContact CG1-CD1 4.24Å; V124-F147 HydrophobicContact CG1-CE1 3.8Å; V124-F147 HydrophobicContact CG1-CZ 4.03Å; V124-F147 HydrophobicContact CG2-CD2 4.06Å; V124-F147 HydrophobicContact CG2-CE1 4.47Å; V124-F147 HydrophobicContact CG2-CE2 4.01Å; V124-F147 HydrophobicContact CG2-CG 4.33Å; V124-F147 HydrophobicContact CG2-CZ 4.23Å; V124-M150 HydrophobicContact CG1-CE 4.34Å; V124-M150 HydrophobicContact CG1-SD 3.93Å
125	Y	89.2	Confident	89.1	Confident	92 Å²	92	45.4 Å²	45.4	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-59.9	177	176.6	-117.3	0	0	0	112	N123 T127 F128 V129 F147 Y165 W170	N123-Y125 VanDerWaalsContact C-N 3.29Å; N123-Y125 PolarHBondContact O-N 3.37Å; Y125-T127 PolarHBondContact O-N 3.25Å; Y125-F128 PolarHBondContact O-N 3.35Å; Y125-F128 VanDerWaalsContact O-N 3.13Å; Y125-V129 HydrophobicContact CD2-CG2 4.04Å; Y125-V129 HydrophobicContact CE1-CG2 4.42Å; Y125-V129 HydrophobicContact CE2-CG2 3.64Å; Y125-V129 WeakPolarHBondContact O-CG2 3.26Å; Y125-V129 PolarHBondContact O-N 2.77Å; Y125-F147 HydrophobicContact CD2-CZ 4.34Å; Y125-Y165 VanDerWaalsContact CD2-OH 3.29Å; Y125-Y165 WeakPolarHBondContact CD2-OH 3.31Å; Y125-Y165 AromaticContact CE2-CE1 3.98Å; Y125-Y165 HydrophobicContact CE2-CE1 3.98Å; Y125-Y165 AromaticContact CE2-CZ 3.86Å; Y125-Y165 WeakPolarHBondContact CE2-OH 3.25Å; Y125-W170 AromaticContact CE2-CZ3 3.94Å; Y125-W170 HydrophobicContact CE2-CZ3 3.94Å
126	H	91.4	Very high	89.8	Confident	64 Å²	64	43.5 Å²	43.5	30%	0.296	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-36.4	180	-62.6	-69.3	0	0	0	112.1	I103 G104 N123 A130	I103-H126 HydrophobicContact CB-CB 3.98Å; I103-H126 HydrophobicContact CG2-CB 3.75Å; G104-H126 WeakPolarHBondContact CA-O 3.5Å; N123-H126 PolarHBondContact O-N 3.23Å; H126-A130 WeakPolarHBondContact O-CB 3.16Å; H126-A130 PolarHBondContact O-N 3.05Å
127	T	93.5	Very high	90.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-41.2	177.2	-50	0	0	0	0	111.9	S107 I119 N123 Y125 A130 A131 L139	S107-T127 VanDerWaalsContact CB-OG1 3.26Å; S107-T127 WeakPolarHBondContact CB-OG1 3.5Å; S107-T127 PolarHBondContact OG-OG1 3.47Å; I119-T127 HydrophobicContact CG2-CG2 3.82Å; N123-T127 VanDerWaalsContact O-CB 3.32Å; N123-T127 WeakPolarHBondContact O-CB 3.49Å; N123-T127 PolarHBondContact O-N 2.8Å; N123-T127 PolarHBondContact O-OG1 3.26Å; Y125-T127 PolarHBondContact O-N 3.25Å; T127-A130 PolarHBondContact O-N 2.9Å; T127-A131 WeakPolarHBondContact O-CB 3.48Å; T127-A131 PolarHBondContact O-N 3.39Å; T127-L139 HydrophobicContact CG2-CD1 4.31Å; T127-L139 HydrophobicContact CG2-CD2 4.05Å; T127-L139 HydrophobicContact CG2-CG 4.29Å
128	F	92.5	Very high	91.1	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-49.3	174.2	179.9	-84.6	0	0	0	111.5	V124 Y125 A130 A131 D132 K140 C143 A144 F147 W170 L173	V124-F128 VanDerWaalsContact O-CB 3.23Å; V124-F128 WeakPolarHBondContact O-CB 3.23Å; V124-F128 PolarHBondContact O-N 3.24Å; Y125-F128 PolarHBondContact O-N 3.35Å; Y125-F128 VanDerWaalsContact O-N 3.13Å; F128-A130 VanDerWaalsContact C-N 3.31Å; F128-A130 PolarHBondContact O-N 3.29Å; F128-A131 PolarHBondContact O-N 3.43Å; F128-D132 WeakPolarHBondContact O-CB 3.4Å; F128-D132 PolarHBondContact O-N 2.94Å; F128-K140 HydrophobicContact CD2-CG 4Å; F128-K140 HydrophobicContact CE2-CD 4.34Å; F128-K140 HydrophobicContact CE2-CG 3.58Å; F128-K140 HydrophobicContact CZ-CD 4.32Å; F128-K140 HydrophobicContact CZ-CG 4.03Å; F128-C143 HydrophobicContact CB-CB 3.83Å; F128-C143 HydrophobicContact CD2-CB 3.83Å; F128-C143 HydrophobicContact CG-CB 4.33Å; F128-A144 HydrophobicContact CE2-CB 4.21Å; F128-F147 HydrophobicContact CB-CE2 3.87Å; F128-F147 HydrophobicContact CD2-CD2 4.31Å; F128-F147 HydrophobicContact CD2-CE2 4.17Å; F128-F147 AromaticContact CG-CE2 3.98Å; F128-F147 HydrophobicContact CG-CE2 3.98Å; F128-W170 HydrophobicContact CD1-CD2 4.48Å; F128-W170 HydrophobicContact CE1-CB 4.31Å; F128-W170 AromaticContact CE1-CD1 3.67Å; F128-W170 AromaticContact CE1-CD2 3.85Å; F128-W170 HydrophobicContact CE1-CD2 3.85Å; F128-W170 AromaticContact CE1-CG 3.66Å; F128-W170 HydrophobicContact CE1-CG 3.66Å; F128-W170 AromaticContact CE1-NE1 3.82Å; F128-W170 HydrophobicContact CZ-CG 4.3Å; F128-L173 HydrophobicContact CD1-CD1 4.06Å; F128-L173 HydrophobicContact CD2-CD1 4.41Å; F128-L173 HydrophobicContact CE1-CD1 3.61Å; F128-L173 HydrophobicContact CE1-CG 4.35Å; F128-L173 HydrophobicContact CE2-CD1 4Å; F128-L173 HydrophobicContact CE2-CD2 4.03Å; F128-L173 HydrophobicContact CE2-CG 4.19Å; F128-L173 HydrophobicContact CG-CD1 4.45Å; F128-L173 HydrophobicContact CZ-CD1 3.57Å; F128-L173 HydrophobicContact CZ-CD2 4.19Å; F128-L173 HydrophobicContact CZ-CG 3.84Å
129	V	91.3	Very high	91.6	Very high	18 Å²	18	44.2 Å²	44.2	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-44.7	179.1	176.7	0	0	0	0	110.9	F100 Y125 F133 W170	F100-V129 HydrophobicContact CD2-CG1 3.98Å; F100-V129 HydrophobicContact CE2-CG1 3.86Å; Y125-V129 HydrophobicContact CD2-CG2 4.04Å; Y125-V129 HydrophobicContact CE1-CG2 4.42Å; Y125-V129 HydrophobicContact CE2-CG2 3.64Å; Y125-V129 WeakPolarHBondContact O-CG2 3.26Å; Y125-V129 PolarHBondContact O-N 2.77Å; V129-F133 WeakPolarHBondContact O-CB 3.38Å; V129-F133 PolarHBondContact O-N 3.18Å; V129-F133 VanDerWaalsContact O-N 3.08Å; V129-W170 HydrophobicContact CB-CH2 4.38Å; V129-W170 HydrophobicContact CB-CZ2 4.43Å; V129-W170 HydrophobicContact CG1-CH2 4.21Å; V129-W170 HydrophobicContact CG1-CZ2 4.22Å; V129-W170 HydrophobicContact CG2-CH2 3.46Å; V129-W170 VanDerWaalsContact CG2-CH2 3.46Å; V129-W170 HydrophobicContact CG2-CZ2 3.89Å; V129-W170 HydrophobicContact CG2-CZ3 4.07Å
130	A	93.5	Very high	91.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.6	-35.7	178.7	0	0	0	0	0	112.8	L101 I108 H126 T127 F128 L134	L101-A130 HydrophobicContact CD2-CB 3.96Å; I108-A130 HydrophobicContact CD1-CB 3.48Å; I108-A130 VanDerWaalsContact CD1-CB 3.48Å; H126-A130 WeakPolarHBondContact O-CB 3.16Å; H126-A130 PolarHBondContact O-N 3.05Å; T127-A130 PolarHBondContact O-N 2.9Å; F128-A130 VanDerWaalsContact C-N 3.31Å; F128-A130 PolarHBondContact O-N 3.29Å; A130-L134 VanDerWaalsContact O-CB 3.29Å; A130-L134 WeakPolarHBondContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CG 3.44Å; A130-L134 PolarHBondContact O-N 2.98Å
131	A	93.9	Very high	91.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-38	176.4	0	0	0	0	0	112.2	T127 F128 L135 L136 L139 K140	T127-A131 WeakPolarHBondContact O-CB 3.48Å; T127-A131 PolarHBondContact O-N 3.39Å; F128-A131 PolarHBondContact O-N 3.43Å; A131-L135 PolarHBondContact O-N 3.39Å; A131-L135 VanDerWaalsContact O-N 3.1Å; A131-L136 HydrophobicContact CB-CB 4.13Å; A131-L136 PolarHBondContact O-N 3.15Å; A131-L139 HydrophobicContact CB-CB 4.13Å; A131-L139 HydrophobicContact CB-CD2 4Å; A131-L139 HydrophobicContact CB-CG 3.95Å; A131-K140 HydrophobicContact CB-CB 4.27Å
132	D	93.2	Very high	92	Very high	46 Å²	46	46 Å²	46	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-53.6	174.9	-171.8	49.7	0	0	0	111.4	F128 L134 L135 K140 W170	F128-D132 WeakPolarHBondContact O-CB 3.4Å; F128-D132 PolarHBondContact O-N 2.94Å; D132-L134 VanDerWaalsContact C-N 3.27Å; D132-L134 PolarHBondContact O-N 3.48Å; D132-L135 PolarHBondContact O-N 3.34Å; D132-K140 HydrophobicContact CB-CD 4.04Å; D132-K140 WeakPolarHBondContact OD1-CD 3.4Å; D132-K140 VanDerWaalsContact OD1-CE 3.23Å; D132-K140 WeakPolarHBondContact OD1-CE 3.42Å; D132-K140 IonicContact OD1-NZ 3.8Å; D132-K140 PolarHBondContact OD1-NZ 3.13Å; D132-W170 PolarHBondContact OD2-NE1 2.95Å
133	F	93.7	Very high	92.2	Very high	80 Å²	80	39.6 Å²	39.6	35%	0.351	19%	0.194	S	C	.	.	H	α-helix	trans	-57.3	-39.1	178.7	-174.5	-83.8	0	0	0	112.7	Y81 P98 F100 L101 V129 L135	Y81-F133 HydrophobicContact CE2-CE1 4.28Å; P98-F133 HydrophobicContact CG-CZ 4.2Å; F100-F133 HydrophobicContact CE2-CD2 4.46Å; F100-F133 AromaticContact CZ-CD2 3.91Å; F100-F133 HydrophobicContact CZ-CD2 3.91Å; F100-F133 HydrophobicContact CZ-CE2 4.06Å; L101-F133 HydrophobicContact CD1-CD1 3.56Å; L101-F133 HydrophobicContact CD1-CE1 3.64Å; L101-F133 HydrophobicContact CD1-CG 4.19Å; L101-F133 HydrophobicContact CD1-CZ 4.31Å; L101-F133 HydrophobicContact CD2-CB 3.8Å; L101-F133 HydrophobicContact CD2-CD1 3.98Å; L101-F133 HydrophobicContact CD2-CG 3.87Å; L101-F133 HydrophobicContact CG-CD1 4.41Å; V129-F133 WeakPolarHBondContact O-CB 3.38Å; V129-F133 PolarHBondContact O-N 3.18Å; V129-F133 VanDerWaalsContact O-N 3.08Å; F133-L135 VanDerWaalsContact C-N 3.35Å
134	L	94.5	Very high	92.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.9	179.6	-60.8	174.1	0	0	0	113.6	S79 Y81 F82 L97 F105 I108 A130 D132 L136	S79-L134 WeakPolarHBondContact CB-O 3.12Å; S79-L134 PolarHBondContact OG-O 2.74Å; Y81-L134 HydrophobicContact CD1-CD2 3.61Å; Y81-L134 HydrophobicContact CE1-CD2 3.88Å; Y81-L134 HydrophobicContact CG-CD2 3.99Å; F82-L134 HydrophobicContact CD2-CD2 4.47Å; F82-L134 HydrophobicContact CE2-CD1 4.16Å; F82-L134 HydrophobicContact CE2-CD2 3.78Å; F82-L134 HydrophobicContact CE2-CG 4.47Å; L97-L134 HydrophobicContact CD2-CD2 4.35Å; F105-L134 HydrophobicContact CD2-CD1 3.63Å; F105-L134 HydrophobicContact CE2-CD1 3.69Å; I108-L134 HydrophobicContact CD1-CD1 3.94Å; A130-L134 VanDerWaalsContact O-CB 3.29Å; A130-L134 WeakPolarHBondContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CG 3.44Å; A130-L134 PolarHBondContact O-N 2.98Å; D132-L134 VanDerWaalsContact C-N 3.27Å; D132-L134 PolarHBondContact O-N 3.48Å; L134-L136 VanDerWaalsContact C-N 3.25Å; L134-L136 HydrophobicContact CB-CD1 4.03Å; L134-L136 HydrophobicContact CB-CG 4.43Å; L134-L136 PolarHBondContact O-N 3.34Å
135	L	94.4	Very high	92.1	Very high	75 Å²	75	42.8 Å²	42.8	39%	0.393	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	34.2	174.4	-52.8	176.2	0	0	0	114.4	I80 A131 D132 F133 S137	I80-L135 HydrophobicContact CB-CB 4.06Å; I80-L135 HydrophobicContact CB-CD1 4.17Å; I80-L135 HydrophobicContact CG2-CD1 4.16Å; A131-L135 PolarHBondContact O-N 3.39Å; A131-L135 VanDerWaalsContact O-N 3.1Å; D132-L135 PolarHBondContact O-N 3.34Å; F133-L135 VanDerWaalsContact C-N 3.35Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.47Å
136	L	93.1	Very high	92.2	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	20%	0.203	C	C	.	.			trans	-85.8	70.3	176.9	-72.7	158.1	0	0	0	110	Q78 I108 A131 L134 K138 L139 K140	Q78-L136 HydrophobicContact CB-CD2 3.58Å; I108-L136 HydrophobicContact CB-CD1 4.36Å; I108-L136 HydrophobicContact CD1-CD1 3.68Å; I108-L136 HydrophobicContact CG1-CD1 3.86Å; I108-L136 HydrophobicContact CG2-CD1 3.58Å; A131-L136 HydrophobicContact CB-CB 4.13Å; A131-L136 PolarHBondContact O-N 3.15Å; L134-L136 VanDerWaalsContact C-N 3.25Å; L134-L136 HydrophobicContact CB-CD1 4.03Å; L134-L136 HydrophobicContact CB-CG 4.43Å; L134-L136 PolarHBondContact O-N 3.34Å; L136-K138 VanDerWaalsContact C-N 3.35Å; L136-K138 PolarHBondContact O-N 3.09Å; L136-L139 HydrophobicContact CB-CB 4.19Å; L136-L139 PolarHBondContact O-N 3.4Å; L136-K140 PolarHBondContact O-N 2.62Å
137	S	90.3	Very high	92.2	Very high	90 Å²	90	37.1 Å²	37.1	63%	0.629	19%	0.191	S	C	*	.	H	α-helix	trans	-53.2	-43.1	-168.8	58	0	0	0	0	114.8	L135 K140 Q141	L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.47Å; S137-K140 PolarHBondContact O-N 3.43Å; S137-Q141 PolarHBondContact O-N 3.49Å
138	K	90.2	Very high	91.9	Very high	111 Å²	111	41.6 Å²	41.6	48%	0.483	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-44.7	177.6	-178.7	179.6	162	-151.4	0	111.8	Y111 L136 Q141 Q142	Y111-K138 WeakPolarHBondContact OH-CD 3.5Å; Y111-K138 PolarHBondContact OH-NZ 3.15Å; L136-K138 VanDerWaalsContact C-N 3.35Å; L136-K138 PolarHBondContact O-N 3.09Å; K138-Q141 PolarHBondContact O-N 2.98Å; K138-Q142 WeakPolarHBondContact O-CG 3.37Å; K138-Q142 PolarHBondContact O-N 3.27Å; K138-Q142 PolarHBondContact O-OE1 3.41Å
139	L	92.5	Very high	91.8	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-69.8	-39.1	178.5	-176.9	62.6	0	0	0	111.7	I108 Y111 P117 I119 T127 A131 L136 Q141 Q142 C143	I108-L139 HydrophobicContact CG1-CD2 3.66Å; Y111-L139 HydrophobicContact CD1-CB 4.47Å; Y111-L139 HydrophobicContact CD1-CD2 4.09Å; Y111-L139 HydrophobicContact CD2-CD1 4.18Å; Y111-L139 HydrophobicContact CE1-CB 4.4Å; Y111-L139 HydrophobicContact CG-CD1 4.14Å; Y111-L139 HydrophobicContact CG-CD2 4.25Å; P117-L139 HydrophobicContact CB-CD1 3.65Å; I119-L139 HydrophobicContact CG2-CD1 4.38Å; T127-L139 HydrophobicContact CG2-CD1 4.31Å; T127-L139 HydrophobicContact CG2-CD2 4.05Å; T127-L139 HydrophobicContact CG2-CG 4.29Å; A131-L139 HydrophobicContact CB-CB 4.13Å; A131-L139 HydrophobicContact CB-CD2 4Å; A131-L139 HydrophobicContact CB-CG 3.95Å; L136-L139 HydrophobicContact CB-CB 4.19Å; L136-L139 PolarHBondContact O-N 3.4Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 3.26Å; L139-Q142 PolarHBondContact O-N 3.06Å; L139-C143 PolarHBondContact O-N 2.94Å; L139-C143 PolarHBondContact O-SG 3.47Å
140	K	92.3	Very high	91.8	Very high	46 Å²	46	47.5 Å²	47.5	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-56.6	-45.6	172.3	-174	-175.2	179.1	178.3	0	110.7	F128 A131 D132 L136 S137 C143 A144	F128-K140 HydrophobicContact CD2-CG 4Å; F128-K140 HydrophobicContact CE2-CD 4.34Å; F128-K140 HydrophobicContact CE2-CG 3.58Å; F128-K140 HydrophobicContact CZ-CD 4.32Å; F128-K140 HydrophobicContact CZ-CG 4.03Å; A131-K140 HydrophobicContact CB-CB 4.27Å; D132-K140 HydrophobicContact CB-CD 4.04Å; D132-K140 WeakPolarHBondContact OD1-CD 3.4Å; D132-K140 VanDerWaalsContact OD1-CE 3.23Å; D132-K140 WeakPolarHBondContact OD1-CE 3.42Å; D132-K140 IonicContact OD1-NZ 3.8Å; D132-K140 PolarHBondContact OD1-NZ 3.13Å; L136-K140 PolarHBondContact O-N 2.62Å; S137-K140 PolarHBondContact O-N 3.43Å; K140-C143 PolarHBondContact O-N 2.88Å; K140-A144 WeakPolarHBondContact O-CB 3.37Å; K140-A144 PolarHBondContact O-N 3.03Å
141	Q	90.6	Very high	91.6	Very high	114 Å²	114	47.5 Å²	47.5	53%	0.533	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-41.5	177.2	-171.7	61.9	58.9	0	0	112.5	S137 K138 L139 C143 A144 N145	S137-Q141 PolarHBondContact O-N 3.49Å; K138-Q141 PolarHBondContact O-N 2.98Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 3.26Å; Q141-C143 VanDerWaalsContact C-N 3.33Å; Q141-C143 PolarHBondContact O-N 3.08Å; Q141-A144 PolarHBondContact O-N 3.22Å; Q141-N145 PolarHBondContact NE2-OD1 2.97Å; Q141-N145 VanDerWaalsContact O-CG 3.3Å; Q141-N145 PolarHBondContact O-N 2.78Å; Q141-N145 PolarHBondContact O-OD1 3.39Å; Q141-N145 VanDerWaalsContact O-OD1 3.08Å
142	Q	91	Very high	91.3	Very high	54 Å²	54	50.5 Å²	50.5	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-39	176.9	-71.1	173.2	-59.7	0	0	111.8	P117 I119 K138 L139 N145 L146	P117-Q142 HydrophobicContact CG-CB 4.46Å; I119-Q142 HydrophobicContact CD1-CB 3.98Å; I119-Q142 WeakPolarHBondContact CD1-O 3.28Å; K138-Q142 WeakPolarHBondContact O-CG 3.37Å; K138-Q142 PolarHBondContact O-N 3.27Å; K138-Q142 PolarHBondContact O-OE1 3.41Å; L139-Q142 PolarHBondContact O-N 3.06Å; Q142-N145 PolarHBondContact O-N 3.23Å; Q142-L146 PolarHBondContact O-N 3.1Å
143	C	92.8	Very high	91.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.1	-38.9	172.5	-60.7	0	0	0	0	112.4	V124 F128 L139 K140 Q141 N145 L146 F147	V124-C143 HydrophobicContact CG2-CB 3.93Å; F128-C143 HydrophobicContact CB-CB 3.83Å; F128-C143 HydrophobicContact CD2-CB 3.83Å; F128-C143 HydrophobicContact CG-CB 4.33Å; L139-C143 PolarHBondContact O-N 2.94Å; L139-C143 PolarHBondContact O-SG 3.47Å; K140-C143 PolarHBondContact O-N 2.88Å; Q141-C143 VanDerWaalsContact C-N 3.33Å; Q141-C143 PolarHBondContact O-N 3.08Å; C143-N145 VanDerWaalsContact C-N 3.35Å; C143-L146 PolarHBondContact O-N 3.04Å; C143-F147 WeakPolarHBondContact O-CD2 3.49Å; C143-F147 PolarHBondContact O-N 2.91Å
144	A	90.7	Very high	91	Very high	19 Å²	19	54.2 Å²	54.2	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-37.2	175.7	0	0	0	0	0	112.7	F128 K140 Q141 F147 K148 L173	F128-A144 HydrophobicContact CE2-CB 4.21Å; K140-A144 WeakPolarHBondContact O-CB 3.37Å; K140-A144 PolarHBondContact O-N 3.03Å; Q141-A144 PolarHBondContact O-N 3.22Å; A144-F147 PolarHBondContact O-N 3.34Å; A144-K148 PolarHBondContact O-N 2.96Å; A144-L173 HydrophobicContact CB-CD2 4.34Å
145	N	89.8	Confident	90.8	Very high	79 Å²	79	55.3 Å²	55.3	42%	0.422	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-47.5	174.5	-68.8	9.3	0	0	0	111.1	Q141 Q142 C143 F147 K148 E149	Q141-N145 PolarHBondContact NE2-OD1 2.97Å; Q141-N145 VanDerWaalsContact O-CG 3.3Å; Q141-N145 PolarHBondContact O-N 2.78Å; Q141-N145 PolarHBondContact O-OD1 3.39Å; Q141-N145 VanDerWaalsContact O-OD1 3.08Å; Q142-N145 PolarHBondContact O-N 3.23Å; C143-N145 VanDerWaalsContact C-N 3.35Å; N145-F147 VanDerWaalsContact C-N 3.31Å; N145-F147 PolarHBondContact O-N 3.47Å; N145-K148 WeakPolarHBondContact O-CA 3.48Å; N145-K148 WeakPolarHBondContact O-CB 3.4Å; N145-K148 PolarHBondContact O-N 2.57Å; N145-E149 WeakPolarHBondContact O-CG 3.47Å; N145-E149 PolarHBondContact O-N 3.48Å
146	L	91.4	Very high	90.7	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.141	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-38	176.3	178.9	57.8	0	0	0	111.9	I119 V124 Q142 C143 K148 E149 M150	I119-L146 HydrophobicContact CB-CD2 4.07Å; I119-L146 HydrophobicContact CD1-CB 4.45Å; I119-L146 HydrophobicContact CD1-CD2 4.25Å; I119-L146 HydrophobicContact CG1-CD2 4.05Å; V124-L146 HydrophobicContact CB-CD2 3.95Å; V124-L146 HydrophobicContact CG2-CB 4.25Å; V124-L146 HydrophobicContact CG2-CD2 3.9Å; V124-L146 HydrophobicContact CG2-CG 4.18Å; Q142-L146 PolarHBondContact O-N 3.1Å; C143-L146 PolarHBondContact O-N 3.04Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.21Å; L146-E149 PolarHBondContact O-N 2.62Å; L146-M150 HydrophobicContact CD1-CG 4.31Å; L146-M150 HydrophobicContact CD1-SD 4.34Å; L146-M150 HydrophobicContact CG-SD 4.08Å; L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 VanDerWaalsContact O-CG 3.27Å; L146-M150 WeakPolarHBondContact O-CG 3.4Å; L146-M150 PolarHBondContact O-N 2.88Å
147	F	90.7	Very high	90.6	Very high	9 Å²	9	55.1 Å²	55.1	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-37.2	171	-85.6	-53.2	0	0	0	113.1	V124 Y125 F128 C143 A144 N145 A151 I161 L173 M176	V124-F147 HydrophobicContact CG1-CD1 4.24Å; V124-F147 HydrophobicContact CG1-CE1 3.8Å; V124-F147 HydrophobicContact CG1-CZ 4.03Å; V124-F147 HydrophobicContact CG2-CD2 4.06Å; V124-F147 HydrophobicContact CG2-CE1 4.47Å; V124-F147 HydrophobicContact CG2-CE2 4.01Å; V124-F147 HydrophobicContact CG2-CG 4.33Å; V124-F147 HydrophobicContact CG2-CZ 4.23Å; Y125-F147 HydrophobicContact CD2-CZ 4.34Å; F128-F147 HydrophobicContact CB-CE2 3.87Å; F128-F147 HydrophobicContact CD2-CD2 4.31Å; F128-F147 HydrophobicContact CD2-CE2 4.17Å; F128-F147 AromaticContact CG-CE2 3.98Å; F128-F147 HydrophobicContact CG-CE2 3.98Å; C143-F147 WeakPolarHBondContact O-CD2 3.49Å; C143-F147 PolarHBondContact O-N 2.91Å; A144-F147 PolarHBondContact O-N 3.34Å; N145-F147 VanDerWaalsContact C-N 3.31Å; N145-F147 PolarHBondContact O-N 3.47Å; F147-A151 WeakPolarHBondContact O-CB 3.36Å; F147-A151 PolarHBondContact O-N 3.43Å; F147-I161 HydrophobicContact CD1-CD1 3.71Å; F147-I161 HydrophobicContact CE1-CD1 4.23Å; F147-L173 HydrophobicContact CB-CD2 4.23Å; F147-L173 HydrophobicContact CD2-CD1 4.05Å; F147-L173 HydrophobicContact CD2-CD2 3.85Å; F147-L173 HydrophobicContact CE2-CD1 3.95Å; F147-L173 HydrophobicContact CG-CD2 4.33Å; F147-M176 HydrophobicContact CB-CE 4.1Å; F147-M176 HydrophobicContact CB-SD 4.15Å
148	K	87.8	Confident	90.7	Very high	94 Å²	94	50.8 Å²	50.8	41%	0.409	26%	0.255	S	S	.	.	H	α-helix	trans	-68	-42.5	175	-169.5	173.3	180	174.2	0	111.6	A144 N145 L146 A151 N152 M176	A144-K148 PolarHBondContact O-N 2.96Å; N145-K148 WeakPolarHBondContact O-CA 3.48Å; N145-K148 WeakPolarHBondContact O-CB 3.4Å; N145-K148 PolarHBondContact O-N 2.57Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.21Å; K148-A151 PolarHBondContact O-N 2.92Å; K148-N152 WeakPolarHBondContact O-CB 3.22Å; K148-N152 PolarHBondContact O-N 3.02Å; K148-M176 VanDerWaalsContact CA-SD 3.57Å; K148-M176 HydrophobicContact CB-CG 3.96Å; K148-M176 HydrophobicContact CB-SD 3.62Å; K148-M176 HydrophobicContact CD-CG 4.26Å; K148-M176 HydrophobicContact CG-CG 3.98Å; K148-M176 HydrophobicContact CG-SD 4.29Å; K148-M176 PolarHBondContact N-SD 2.79Å
149	E	89.3	Confident	90.9	Very high	112 Å²	112	46 Å²	46	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-60.2	-47.1	175.6	-70.6	163.6	-162.3	0	0	110.8	N145 L146 N152 I153	N145-E149 WeakPolarHBondContact O-CG 3.47Å; N145-E149 PolarHBondContact O-N 3.48Å; L146-E149 PolarHBondContact O-N 2.62Å; E149-N152 PolarHBondContact O-N 2.79Å; E149-I153 WeakPolarHBondContact O-CD1 3.34Å; E149-I153 VanDerWaalsContact O-CG1 3.27Å; E149-I153 WeakPolarHBondContact O-CG1 3.4Å; E149-I153 PolarHBondContact O-N 3.38Å; E149-I153 VanDerWaalsContact O-N 3.14Å
150	M	91.4	Very high	90.8	Very high	35 Å²	35	50.2 Å²	50.2	17%	0.172	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-46.5	175.8	-71.2	169.6	59.6	0	0	112.6	P121 V124 L146 N152 I153 D154 T157	P121-M150 HydrophobicContact CB-CE 3.81Å; P121-M150 HydrophobicContact CB-SD 4.01Å; P121-M150 HydrophobicContact CG-CE 4.42Å; P121-M150 HydrophobicContact CG-SD 4.08Å; V124-M150 HydrophobicContact CG1-CE 4.34Å; V124-M150 HydrophobicContact CG1-SD 3.93Å; L146-M150 HydrophobicContact CD1-CG 4.31Å; L146-M150 HydrophobicContact CD1-SD 4.34Å; L146-M150 HydrophobicContact CG-SD 4.08Å; L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 VanDerWaalsContact O-CG 3.27Å; L146-M150 WeakPolarHBondContact O-CG 3.4Å; L146-M150 PolarHBondContact O-N 2.88Å; M150-N152 VanDerWaalsContact C-N 3.27Å; M150-N152 PolarHBondContact O-N 2.93Å; M150-I153 PolarHBondContact O-N 3.41Å; M150-I153 VanDerWaalsContact O-N 3.14Å; M150-D154 PolarHBondContact O-N 3.49Å; M150-T157 HydrophobicContact CB-CG2 4.25Å; M150-T157 HydrophobicContact CE-CG2 4.34Å
151	A	90.3	Very high	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.4	-24.7	179	0	0	0	0	0	113.7	F147 K148 A158 M176 A180	F147-A151 WeakPolarHBondContact O-CB 3.36Å; F147-A151 PolarHBondContact O-N 3.43Å; K148-A151 PolarHBondContact O-N 2.92Å; A151-A158 HydrophobicContact CB-CB 3.92Å; A151-M176 HydrophobicContact CB-CE 4.16Å; A151-A180 HydrophobicContact CB-CB 3.95Å
152	N	86.5	Confident	90.8	Very high	62 Å²	62	43.2 Å²	43.2	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-84.8	-13.1	173.9	-79.5	13.1	0	0	0	113.4	K148 E149 M150 A180	K148-N152 WeakPolarHBondContact O-CB 3.22Å; K148-N152 PolarHBondContact O-N 3.02Å; E149-N152 PolarHBondContact O-N 2.79Å; M150-N152 VanDerWaalsContact C-N 3.27Å; M150-N152 PolarHBondContact O-N 2.93Å; N152-A180 WeakPolarHBondContact OD1-CB 3.5Å
153	I	89.6	Confident	90.8	Very high	146 Å²	146	43.9 Å²	43.9	75%	0.749	23%	0.23	S	C	*	.	H	α-helix	trans	-99.4	-38.9	177.3	-68.6	165.5	0	0	0	110.9	E149 M150	E149-I153 WeakPolarHBondContact O-CD1 3.34Å; E149-I153 VanDerWaalsContact O-CG1 3.27Å; E149-I153 WeakPolarHBondContact O-CG1 3.4Å; E149-I153 PolarHBondContact O-N 3.38Å; E149-I153 VanDerWaalsContact O-N 3.14Å; M150-I153 PolarHBondContact O-N 3.41Å; M150-I153 VanDerWaalsContact O-N 3.14Å
154	D	91.1	Very high	90.4	Very high	59 Å²	59	48.4 Å²	48.4	32%	0.316	25%	0.254	S	S	.	.			trans	-126.2	114.3	-179.2	173.4	32.1	0	0	0	111.8	M150 S156 T157 A158	M150-D154 PolarHBondContact O-N 3.49Å; D154-S156 VanDerWaalsContact C-N 3.34Å; D154-S156 VanDerWaalsContact OD1-CB 3.25Å; D154-S156 WeakPolarHBondContact OD1-CB 3.33Å; D154-S156 PolarHBondContact OD1-N 3.15Å; D154-S156 PolarHBondContact OD1-OG 2.96Å; D154-T157 WeakPolarHBondContact O-CB 3.25Å; D154-T157 PolarHBondContact O-N 3.2Å; D154-T157 WeakPolarHBondContact OD2-CB 3.45Å; D154-T157 PolarHBondContact OD2-N 2.79Å; D154-T157 PolarHBondContact OD2-OG1 3.05Å; D154-A158 PolarHBondContact O-N 2.8Å
155	L	91	Very high	90.1	Very high	24 Å²	24	49.1 Å²	49.1	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-74.7	-24.5	-179.7	-55.2	-179.4	0	0	0	112.3	A158 I159 N184 D187 L188	L155-A158 PolarHBondContact O-N 2.78Å; L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L155-I159 PolarHBondContact O-N 3.06Å; L155-N184 HydrophobicContact CD1-CB 4.39Å; L155-N184 HydrophobicContact CD2-CB 3.73Å; L155-D187 HydrophobicContact CD1-CB 4.31Å; L155-L188 HydrophobicContact CB-CD1 3.94Å; L155-L188 HydrophobicContact CD1-CB 3.94Å; L155-L188 HydrophobicContact CD1-CD1 4.15Å
156	S	92	Very high	89.4	Confident	39 Å²	39	49.3 Å²	49.3	27%	0.273	25%	0.25	S	S	.	.	H	α-helix	trans	-63.2	-47	170.1	-57.8	0	0	0	0	109.8	D154 I159 N160 D193	D154-S156 VanDerWaalsContact C-N 3.34Å; D154-S156 VanDerWaalsContact OD1-CB 3.25Å; D154-S156 WeakPolarHBondContact OD1-CB 3.33Å; D154-S156 PolarHBondContact OD1-N 3.15Å; D154-S156 PolarHBondContact OD1-OG 2.96Å; S156-I159 PolarHBondContact O-N 3.14Å; S156-N160 WeakPolarHBondContact O-CB 3.25Å; S156-N160 PolarHBondContact O-N 3.23Å; S156-N160 PolarHBondContact O-ND2 3.36Å; S156-D193 WeakPolarHBondContact CB-OD2 3.15Å; S156-D193 PolarHBondContact OG-OD2 2.87Å
157	T	91.2	Very high	88.4	Confident	36 Å²	36	53.9 Å²	53.9	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-42.6	171.3	-69.7	0	0	0	0	111.7	M150 D154 N160 I161	M150-T157 HydrophobicContact CB-CG2 4.25Å; M150-T157 HydrophobicContact CE-CG2 4.34Å; D154-T157 WeakPolarHBondContact O-CB 3.25Å; D154-T157 PolarHBondContact O-N 3.2Å; D154-T157 WeakPolarHBondContact OD2-CB 3.45Å; D154-T157 PolarHBondContact OD2-N 2.79Å; D154-T157 PolarHBondContact OD2-OG1 3.05Å; T157-N160 PolarHBondContact O-N 3.21Å; T157-I161 HydrophobicContact CG2-CD1 3.53Å; T157-I161 HydrophobicContact CG2-CG1 4.13Å; T157-I161 WeakPolarHBondContact O-CB 3.45Å; T157-I161 VanDerWaalsContact O-CG1 3.28Å; T157-I161 WeakPolarHBondContact O-CG1 3.4Å; T157-I161 PolarHBondContact O-N 3.03Å
158	A	93.1	Very high	87.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-48.8	177.1	0	0	0	0	0	112.7	A151 D154 L155 N160 I161 W162 A180 I181	A151-A158 HydrophobicContact CB-CB 3.92Å; D154-A158 PolarHBondContact O-N 2.8Å; L155-A158 PolarHBondContact O-N 2.78Å; A158-N160 VanDerWaalsContact C-N 3.33Å; A158-N160 PolarHBondContact O-N 2.87Å; A158-I161 PolarHBondContact O-N 3.07Å; A158-W162 WeakPolarHBondContact O-CB 3.48Å; A158-W162 PolarHBondContact O-N 3.22Å; A158-A180 HydrophobicContact CB-CB 4.48Å; A158-I181 HydrophobicContact CB-CD1 4.47Å; A158-I181 HydrophobicContact CB-CG1 3.87Å
159	I	93.7	Very high	87.1	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-45	175.4	-68.2	170.3	0	0	0	110.7	L155 S156 W162 L163 I181 L188 D193 L197	L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L155-I159 PolarHBondContact O-N 3.06Å; S156-I159 PolarHBondContact O-N 3.14Å; I159-W162 PolarHBondContact O-N 3.19Å; I159-L163 HydrophobicContact CG2-CD1 3.67Å; I159-L163 HydrophobicContact CG2-CG 4.2Å; I159-L163 WeakPolarHBondContact O-CB 3.34Å; I159-L163 WeakPolarHBondContact O-CG 3.31Å; I159-L163 PolarHBondContact O-N 3.11Å; I159-I181 HydrophobicContact CG1-CD1 4.12Å; I159-I181 HydrophobicContact CG1-CG1 4.45Å; I159-L188 HydrophobicContact CD1-CD1 3.91Å; I159-L188 HydrophobicContact CG1-CD1 4.3Å; I159-D193 HydrophobicContact CD1-CB 3.84Å; I159-L197 HydrophobicContact CD1-CD2 4.32Å; I159-L197 HydrophobicContact CG1-CD2 4.49Å; I159-L197 HydrophobicContact CG2-CD2 3.81Å
160	N	90.6	Very high	86.8	Confident	90 Å²	90	57.2 Å²	57.2	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-41.9	179.8	-81.1	-67.5	0	0	0	113	S156 T157 A158 N164	S156-N160 WeakPolarHBondContact O-CB 3.25Å; S156-N160 PolarHBondContact O-N 3.23Å; S156-N160 PolarHBondContact O-ND2 3.36Å; T157-N160 PolarHBondContact O-N 3.21Å; A158-N160 VanDerWaalsContact C-N 3.33Å; A158-N160 PolarHBondContact O-N 2.87Å; N160-N164 WeakPolarHBondContact O-CB 3.21Å; N160-N164 PolarHBondContact O-N 3.27Å; N160-N164 VanDerWaalsContact O-N 3.13Å; N160-N164 PolarHBondContact O-ND2 3.18Å
161	I	90.2	Very high	86.6	Confident	10 Å²	10	59 Å²	59	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-44.2	175.9	-67.5	171.9	0	0	0	110	F147 T157 A158 Y165 L173 M176 A177	F147-I161 HydrophobicContact CD1-CD1 3.71Å; F147-I161 HydrophobicContact CE1-CD1 4.23Å; T157-I161 HydrophobicContact CG2-CD1 3.53Å; T157-I161 HydrophobicContact CG2-CG1 4.13Å; T157-I161 WeakPolarHBondContact O-CB 3.45Å; T157-I161 VanDerWaalsContact O-CG1 3.28Å; T157-I161 WeakPolarHBondContact O-CG1 3.4Å; T157-I161 PolarHBondContact O-N 3.03Å; A158-I161 PolarHBondContact O-N 3.07Å; I161-Y165 HydrophobicContact CB-CD2 4.26Å; I161-Y165 HydrophobicContact CB-CE2 4.28Å; I161-Y165 HydrophobicContact CG1-CE2 4.3Å; I161-Y165 HydrophobicContact CG2-CD2 3.66Å; I161-Y165 HydrophobicContact CG2-CE2 3.97Å; I161-Y165 WeakPolarHBondContact O-CB 3.26Å; I161-Y165 WeakPolarHBondContact O-CD2 3.38Å; I161-Y165 PolarHBondContact O-N 2.91Å; I161-Y165 VanDerWaalsContact O-N 3.16Å; I161-L173 HydrophobicContact CG2-CB 4.32Å; I161-M176 HydrophobicContact CG2-CE 4.34Å; I161-A177 HydrophobicContact CB-CB 3.8Å; I161-A177 HydrophobicContact CG2-CB 3.53Å
162	W	92.9	Very high	86.3	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-59	-58.8	177.1	176.9	48.9	0	0	0	111.9	A158 I159 N164 Y165 K166 A177 Y178 I181 L197 H201 I205	A158-W162 WeakPolarHBondContact O-CB 3.48Å; A158-W162 PolarHBondContact O-N 3.22Å; I159-W162 PolarHBondContact O-N 3.19Å; W162-N164 PolarHBondContact O-N 3.32Å; W162-Y165 PolarHBondContact O-N 3.04Å; W162-K166 WeakPolarHBondContact O-CB 3.47Å; W162-K166 PolarHBondContact O-N 2.99Å; W162-A177 HydrophobicContact CB-CB 4.18Å; W162-Y178 HydrophobicContact CD2-CD2 4.02Å; W162-Y178 AromaticContact CE2-CD2 3.35Å; W162-Y178 AromaticContact CE2-CE2 3.81Å; W162-Y178 HydrophobicContact CG-CD2 4.38Å; W162-Y178 HydrophobicContact CH2-CD2 4.25Å; W162-Y178 HydrophobicContact CH2-CE2 4.04Å; W162-Y178 AromaticContact CZ2-CD2 3.49Å; W162-Y178 HydrophobicContact CZ2-CD2 3.49Å; W162-Y178 VanDerWaalsContact CZ2-CD2 3.49Å; W162-Y178 AromaticContact CZ2-CE2 3.41Å; W162-Y178 HydrophobicContact CZ2-CE2 3.41Å; W162-Y178 VanDerWaalsContact CZ2-CE2 3.41Å; W162-Y178 AromaticContact NE1-CD2 3.37Å; W162-Y178 AromaticContact NE1-CG 3.76Å; W162-I181 HydrophobicContact CB-CD1 3.8Å; W162-I181 HydrophobicContact CD2-CD1 3.94Å; W162-I181 HydrophobicContact CE3-CD1 3.65Å; W162-I181 HydrophobicContact CG-CD1 4.05Å; W162-I181 HydrophobicContact CZ3-CD1 4.42Å; W162-L197 HydrophobicContact CZ3-CD2 4.42Å; W162-H201 HydrophobicContact CH2-CB 3.68Å; W162-H201 AromaticContact CH2-CD2 3.49Å; W162-H201 VanDerWaalsContact CH2-CD2 3.49Å; W162-H201 WeakPolarHBondContact CH2-CD2 3.37Å; W162-H201 AromaticContact CH2-CG 3.91Å; W162-H201 AromaticContact CZ2-CD2 3.77Å; W162-H201 HydrophobicContact CZ3-CB 3.94Å; W162-H201 AromaticContact CZ3-CD2 3.99Å; W162-I205 HydrophobicContact CH2-CD1 3.88Å; W162-I205 HydrophobicContact CH2-CG1 3.97Å; W162-I205 HydrophobicContact CZ3-CD1 3.85Å; W162-I205 HydrophobicContact CZ3-CG1 4.41Å
163	L	90.4	Very high	86.3	Confident	67 Å²	67	61.6 Å²	61.6	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-38.5	-173.2	-65	179.4	0	0	0	113	I159 L197	I159-L163 HydrophobicContact CG2-CD1 3.67Å; I159-L163 HydrophobicContact CG2-CG 4.2Å; I159-L163 WeakPolarHBondContact O-CB 3.34Å; I159-L163 WeakPolarHBondContact O-CG 3.31Å; I159-L163 PolarHBondContact O-N 3.11Å; L163-L197 HydrophobicContact CD1-CD2 4.37Å
164	N	85.6	Confident	86.4	Confident	96 Å²	96	55.1 Å²	55.1	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-78.4	-25.2	-178.6	-69.6	-70.6	0	0	0	113.7	N160 W162 S168	N160-N164 WeakPolarHBondContact O-CB 3.21Å; N160-N164 PolarHBondContact O-N 3.27Å; N160-N164 VanDerWaalsContact O-N 3.13Å; N160-N164 PolarHBondContact O-ND2 3.18Å; W162-N164 PolarHBondContact O-N 3.32Å; N164-S168 PolarHBondContact O-OG 3.3Å
165	Y	83.2	Confident	86.3	Confident	33 Å²	33	55.6 Å²	55.6	13%	0.129	30%	0.299	C	S	.	.	H	α-helix	trans	-103.3	-10.5	-179.1	-52.9	-52.8	0	0	0	115	Y125 I161 W162 S167 S168 W170 L173	Y125-Y165 VanDerWaalsContact CD2-OH 3.29Å; Y125-Y165 WeakPolarHBondContact CD2-OH 3.31Å; Y125-Y165 AromaticContact CE2-CE1 3.98Å; Y125-Y165 HydrophobicContact CE2-CE1 3.98Å; Y125-Y165 AromaticContact CE2-CZ 3.86Å; Y125-Y165 WeakPolarHBondContact CE2-OH 3.25Å; I161-Y165 HydrophobicContact CB-CD2 4.26Å; I161-Y165 HydrophobicContact CB-CE2 4.28Å; I161-Y165 HydrophobicContact CG1-CE2 4.3Å; I161-Y165 HydrophobicContact CG2-CD2 3.66Å; I161-Y165 HydrophobicContact CG2-CE2 3.97Å; I161-Y165 WeakPolarHBondContact O-CB 3.26Å; I161-Y165 WeakPolarHBondContact O-CD2 3.38Å; I161-Y165 PolarHBondContact O-N 2.91Å; I161-Y165 VanDerWaalsContact O-N 3.16Å; W162-Y165 PolarHBondContact O-N 3.04Å; Y165-S167 PolarHBondContact O-N 3.26Å; Y165-S168 PolarHBondContact O-N 3.26Å; Y165-W170 AromaticContact CD1-CE3 3.81Å; Y165-W170 HydrophobicContact CD1-CE3 3.81Å; Y165-W170 HydrophobicContact CD1-CZ3 4.23Å; Y165-W170 AromaticContact CE1-CE3 3.94Å; Y165-W170 HydrophobicContact CE1-CE3 3.94Å; Y165-W170 AromaticContact CE1-CZ3 3.98Å; Y165-W170 HydrophobicContact CE1-CZ3 3.98Å; Y165-L173 HydrophobicContact CD2-CB 4.34Å
166	K	74.9	Confident	86.3	Confident	84 Å²	84	56 Å²	56	37%	0.365	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.2	176.2	178	171.8	174	179.1	0	115	W162 S174 H201	W162-K166 WeakPolarHBondContact O-CB 3.47Å; W162-K166 PolarHBondContact O-N 2.99Å; K166-S174 WeakPolarHBondContact CA-OG 3.26Å; K166-H201 PolarHBondContact NZ-CD2 3.16Å; K166-H201 PolarHBondContact NZ-NE2 2.98Å
167	S	71.5	Confident	86.3	Confident	122 Å²	122	54.1 Å²	54.1	85%	0.853	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	17.2	175.7	-55.2	0	0	0	0	113.7	Y165	Y165-S167 PolarHBondContact O-N 3.26Å
168	S	72.2	Confident	86.5	Confident	55 Å²	55	53.1 Å²	53.1	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-111.4	-179.7	-174.4	-61.5	0	0	0	0	112	N164 Y165 W170	N164-S168 PolarHBondContact O-OG 3.3Å; Y165-S168 PolarHBondContact O-N 3.26Å; S168-W170 PolarHBondContact O-N 2.79Å
169	Y	77.6	Confident	86.4	Confident	206 Å²	206	55.2 Å²	55.2	81%	0.808	29%	0.29	S	S	*	.	S	Bend	trans	-64.3	-3.8	-176.6	-60.8	-76.4	0	0	0	116.2	P171	Y169-P171 VanDerWaalsContact C-CD 3.48Å; Y169-P171 WeakPolarHBondContact O-CD 3.49Å
170	W	84.9	Confident	86.3	Confident	24 Å²	24	54.8 Å²	54.8	9%	0.091	29%	0.288	C	S	.	.			trans	-129.1	63.3	-171.6	-50	-54	0	0	0	112.4	Y125 F128 V129 D132 Y165 S168 E172 L173 S174	Y125-W170 AromaticContact CE2-CZ3 3.94Å; Y125-W170 HydrophobicContact CE2-CZ3 3.94Å; F128-W170 HydrophobicContact CD1-CD2 4.48Å; F128-W170 HydrophobicContact CE1-CB 4.31Å; F128-W170 AromaticContact CE1-CD1 3.67Å; F128-W170 AromaticContact CE1-CD2 3.85Å; F128-W170 HydrophobicContact CE1-CD2 3.85Å; F128-W170 AromaticContact CE1-CG 3.66Å; F128-W170 HydrophobicContact CE1-CG 3.66Å; F128-W170 AromaticContact CE1-NE1 3.82Å; F128-W170 HydrophobicContact CZ-CG 4.3Å; V129-W170 HydrophobicContact CB-CH2 4.38Å; V129-W170 HydrophobicContact CB-CZ2 4.43Å; V129-W170 HydrophobicContact CG1-CH2 4.21Å; V129-W170 HydrophobicContact CG1-CZ2 4.22Å; V129-W170 HydrophobicContact CG2-CH2 3.46Å; V129-W170 VanDerWaalsContact CG2-CH2 3.46Å; V129-W170 HydrophobicContact CG2-CZ2 3.89Å; V129-W170 HydrophobicContact CG2-CZ3 4.07Å; D132-W170 PolarHBondContact OD2-NE1 2.95Å; Y165-W170 AromaticContact CD1-CE3 3.81Å; Y165-W170 HydrophobicContact CD1-CE3 3.81Å; Y165-W170 HydrophobicContact CD1-CZ3 4.23Å; Y165-W170 AromaticContact CE1-CE3 3.94Å; Y165-W170 HydrophobicContact CE1-CE3 3.94Å; Y165-W170 AromaticContact CE1-CZ3 3.98Å; Y165-W170 HydrophobicContact CE1-CZ3 3.98Å; S168-W170 PolarHBondContact O-N 2.79Å; W170-E172 WeakPolarHBondContact CA-OE2 3.47Å; W170-E172 PolarHBondContact O-N 3.45Å; W170-E172 VanDerWaalsContact O-N 3.12Å; W170-L173 HydrophobicContact CB-CB 4.4Å; W170-L173 HydrophobicContact CB-CD1 4.17Å; W170-L173 HydrophobicContact CB-CG 4.27Å; W170-L173 PolarHBondContact O-N 2.88Å; W170-L173 VanDerWaalsContact O-N 3.12Å; W170-S174 PolarHBondContact O-N 3.41Å
171	P	85.5	Confident	86.4	Confident	74 Å²	74	50.5 Å²	50.5	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-19.3	178.7	28	-36.6	0	0	0	113.1	Y169 S175	Y169-P171 VanDerWaalsContact C-CD 3.48Å; Y169-P171 WeakPolarHBondContact O-CD 3.49Å; P171-S175 WeakPolarHBondContact O-CB 3.22Å; P171-S175 PolarHBondContact O-N 3.45Å; P171-S175 PolarHBondContact O-OG 2.91Å
172	E	84.2	Confident	86.7	Confident	111 Å²	111	50 Å²	50	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-68.9	-40.1	175.6	-45.7	95.1	137.7	0	0	111.6	W170 S175 M176	W170-E172 WeakPolarHBondContact CA-OE2 3.47Å; W170-E172 PolarHBondContact O-N 3.45Å; W170-E172 VanDerWaalsContact O-N 3.12Å; E172-S175 PolarHBondContact O-N 3.5Å; E172-M176 VanDerWaalsContact O-CB 3.24Å; E172-M176 WeakPolarHBondContact O-CB 3.45Å; E172-M176 PolarHBondContact O-N 3.41Å
173	L	87.7	Confident	86.6	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-40.7	174.7	-68.9	-176.9	0	0	0	111.2	F128 A144 F147 I161 Y165 W170 M176 A177	F128-L173 HydrophobicContact CD1-CD1 4.06Å; F128-L173 HydrophobicContact CD2-CD1 4.41Å; F128-L173 HydrophobicContact CE1-CD1 3.61Å; F128-L173 HydrophobicContact CE1-CG 4.35Å; F128-L173 HydrophobicContact CE2-CD1 4Å; F128-L173 HydrophobicContact CE2-CD2 4.03Å; F128-L173 HydrophobicContact CE2-CG 4.19Å; F128-L173 HydrophobicContact CG-CD1 4.45Å; F128-L173 HydrophobicContact CZ-CD1 3.57Å; F128-L173 HydrophobicContact CZ-CD2 4.19Å; F128-L173 HydrophobicContact CZ-CG 3.84Å; A144-L173 HydrophobicContact CB-CD2 4.34Å; F147-L173 HydrophobicContact CB-CD2 4.23Å; F147-L173 HydrophobicContact CD2-CD1 4.05Å; F147-L173 HydrophobicContact CD2-CD2 3.85Å; F147-L173 HydrophobicContact CE2-CD1 3.95Å; F147-L173 HydrophobicContact CG-CD2 4.33Å; I161-L173 HydrophobicContact CG2-CB 4.32Å; Y165-L173 HydrophobicContact CD2-CB 4.34Å; W170-L173 HydrophobicContact CB-CB 4.4Å; W170-L173 HydrophobicContact CB-CD1 4.17Å; W170-L173 HydrophobicContact CB-CG 4.27Å; W170-L173 PolarHBondContact O-N 2.88Å; W170-L173 VanDerWaalsContact O-N 3.12Å; L173-M176 HydrophobicContact CD2-SD 4.28Å; L173-M176 PolarHBondContact O-N 3.07Å; L173-A177 WeakPolarHBondContact O-CB 3.32Å; L173-A177 PolarHBondContact O-N 2.88Å
174	S	90.8	Very high	86.7	Confident	10 Å²	10	50.5 Å²	50.5	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-46.6	173.4	171.7	0	0	0	0	111.6	K166 W170 A177 Y178	K166-S174 WeakPolarHBondContact CA-OG 3.26Å; W170-S174 PolarHBondContact O-N 3.41Å; S174-A177 PolarHBondContact O-N 3.04Å; S174-Y178 VanDerWaalsContact O-CB 3.31Å; S174-Y178 WeakPolarHBondContact O-CB 3.43Å; S174-Y178 PolarHBondContact O-N 3.24Å
175	S	90.2	Very high	87.1	Confident	69 Å²	69	46 Å²	46	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-65.7	-41.6	178.8	-61	0	0	0	0	112.2	P171 E172 Y178 Q179	P171-S175 WeakPolarHBondContact O-CB 3.22Å; P171-S175 PolarHBondContact O-N 3.45Å; P171-S175 PolarHBondContact O-OG 2.91Å; E172-S175 PolarHBondContact O-N 3.5Å; S175-Y178 PolarHBondContact O-N 2.96Å; S175-Q179 WeakPolarHBondContact O-CG 3.33Å; S175-Q179 PolarHBondContact O-N 3.17Å
176	M	89.8	Confident	87.6	Confident	32 Å²	32	45.1 Å²	45.1	16%	0.158	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-46.6	175.2	174.7	-140.1	76.7	0	0	111.8	F147 K148 A151 I161 E172 L173 Q179 A180	F147-M176 HydrophobicContact CB-CE 4.1Å; F147-M176 HydrophobicContact CB-SD 4.15Å; K148-M176 VanDerWaalsContact CA-SD 3.57Å; K148-M176 HydrophobicContact CB-CG 3.96Å; K148-M176 HydrophobicContact CB-SD 3.62Å; K148-M176 HydrophobicContact CD-CG 4.26Å; K148-M176 HydrophobicContact CG-CG 3.98Å; K148-M176 HydrophobicContact CG-SD 4.29Å; K148-M176 PolarHBondContact N-SD 2.79Å; A151-M176 HydrophobicContact CB-CE 4.16Å; I161-M176 HydrophobicContact CG2-CE 4.34Å; E172-M176 VanDerWaalsContact O-CB 3.24Å; E172-M176 WeakPolarHBondContact O-CB 3.45Å; E172-M176 PolarHBondContact O-N 3.41Å; L173-M176 HydrophobicContact CD2-SD 4.28Å; L173-M176 PolarHBondContact O-N 3.07Å; M176-Q179 PolarHBondContact O-N 3.19Å; M176-A180 PolarHBondContact O-N 2.81Å
177	A	92.9	Very high	88.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-35.6	177.6	0	0	0	0	0	112.3	I161 W162 L173 S174 A180 I181	I161-A177 HydrophobicContact CB-CB 3.8Å; I161-A177 HydrophobicContact CG2-CB 3.53Å; W162-A177 HydrophobicContact CB-CB 4.18Å; L173-A177 WeakPolarHBondContact O-CB 3.32Å; L173-A177 PolarHBondContact O-N 2.88Å; S174-A177 PolarHBondContact O-N 3.04Å; A177-A180 WeakPolarHBondContact O-CB 3.15Å; A177-A180 PolarHBondContact O-N 2.82Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.29Å; A177-I181 PolarHBondContact O-N 3.22Å
178	Y	93.7	Very high	89.6	Confident	16 Å²	16	39.8 Å²	39.8	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-42.5	172.6	-172.6	-121.4	0	0	0	111.9	W162 S174 S175 A180 I181 L182 Q204 I205 E208	W162-Y178 HydrophobicContact CD2-CD2 4.02Å; W162-Y178 AromaticContact CE2-CD2 3.35Å; W162-Y178 AromaticContact CE2-CE2 3.81Å; W162-Y178 HydrophobicContact CG-CD2 4.38Å; W162-Y178 HydrophobicContact CH2-CD2 4.25Å; W162-Y178 HydrophobicContact CH2-CE2 4.04Å; W162-Y178 AromaticContact CZ2-CD2 3.49Å; W162-Y178 HydrophobicContact CZ2-CD2 3.49Å; W162-Y178 VanDerWaalsContact CZ2-CD2 3.49Å; W162-Y178 AromaticContact CZ2-CE2 3.41Å; W162-Y178 HydrophobicContact CZ2-CE2 3.41Å; W162-Y178 VanDerWaalsContact CZ2-CE2 3.41Å; W162-Y178 AromaticContact NE1-CD2 3.37Å; W162-Y178 AromaticContact NE1-CG 3.76Å; S174-Y178 VanDerWaalsContact O-CB 3.31Å; S174-Y178 WeakPolarHBondContact O-CB 3.43Å; S174-Y178 PolarHBondContact O-N 3.24Å; S175-Y178 PolarHBondContact O-N 2.96Å; Y178-A180 PolarHBondContact O-N 3.35Å; Y178-I181 WeakPolarHBondContact O-CB 3.14Å; Y178-I181 PolarHBondContact O-N 2.88Å; Y178-L182 HydrophobicContact CD1-CD1 4.06Å; Y178-L182 HydrophobicContact CE1-CD1 3.8Å; Y178-L182 WeakPolarHBondContact O-CG 3.36Å; Y178-L182 PolarHBondContact O-N 3.38Å; Y178-Q204 WeakPolarHBondContact OH-CG 3.42Å; Y178-Q204 PolarHBondContact OH-NE2 2.99Å; Y178-Q204 VanDerWaalsContact OH-NE2 3.08Å; Y178-Q204 PolarHBondContact OH-O 2.89Å; Y178-I205 HydrophobicContact CE2-CG1 3.97Å; Y178-E208 HydrophobicContact CE1-CG 4.09Å; Y178-E208 VanDerWaalsContact CE1-OE1 3.24Å; Y178-E208 WeakPolarHBondContact CE1-OE1 3.35Å; Y178-E208 WeakPolarHBondContact OH-CG 3.35Å; Y178-E208 PolarHBondContact OH-OE1 3.12Å
179	Q	91.3	Very high	90.7	Very high	43 Å²	43	39 Å²	39	20%	0.201	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-40.5	172.3	-68.1	-58.1	-29.9	0	0	111.8	S175 M176 I181 L182 E183	S175-Q179 WeakPolarHBondContact O-CG 3.33Å; S175-Q179 PolarHBondContact O-N 3.17Å; M176-Q179 PolarHBondContact O-N 3.19Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 2.8Å; Q179-L182 PolarHBondContact O-N 3.16Å; Q179-L182 VanDerWaalsContact O-N 3.09Å; Q179-E183 WeakPolarHBondContact O-CB 3.46Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.13Å
180	A	91.3	Very high	91.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-39	173.9	0	0	0	0	0	113.1	A151 N152 A158 M176 A177 Y178 N184	A151-A180 HydrophobicContact CB-CB 3.95Å; N152-A180 WeakPolarHBondContact OD1-CB 3.5Å; A158-A180 HydrophobicContact CB-CB 4.48Å; M176-A180 PolarHBondContact O-N 2.81Å; A177-A180 WeakPolarHBondContact O-CB 3.15Å; A177-A180 PolarHBondContact O-N 2.82Å; Y178-A180 PolarHBondContact O-N 3.35Å; A180-N184 WeakPolarHBondContact O-CB 3.07Å; A180-N184 PolarHBondContact O-N 2.9Å; A180-N184 PolarHBondContact O-ND2 2.95Å
181	I	94.6	Very high	91.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-40.9	173.7	-71.5	167.6	0	0	0	111.3	A158 I159 W162 A177 Y178 Q179 F185 L188 I205	A158-I181 HydrophobicContact CB-CD1 4.47Å; A158-I181 HydrophobicContact CB-CG1 3.87Å; I159-I181 HydrophobicContact CG1-CD1 4.12Å; I159-I181 HydrophobicContact CG1-CG1 4.45Å; W162-I181 HydrophobicContact CB-CD1 3.8Å; W162-I181 HydrophobicContact CD2-CD1 3.94Å; W162-I181 HydrophobicContact CE3-CD1 3.65Å; W162-I181 HydrophobicContact CG-CD1 4.05Å; W162-I181 HydrophobicContact CZ3-CD1 4.42Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.29Å; A177-I181 PolarHBondContact O-N 3.22Å; Y178-I181 WeakPolarHBondContact O-CB 3.14Å; Y178-I181 PolarHBondContact O-N 2.88Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 2.8Å; I181-F185 PolarHBondContact O-N 3.25Å; I181-L188 HydrophobicContact CG2-CD2 3.63Å; I181-I205 HydrophobicContact CG2-CD1 3.73Å; I181-I205 HydrophobicContact CG2-CG1 4.07Å
182	L	94.5	Very high	92.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-75.1	-42.6	179.5	-62.4	175.9	0	0	0	112.7	Y178 Q179 N184 F185 I205 E208 T210 L211 N212	Y178-L182 HydrophobicContact CD1-CD1 4.06Å; Y178-L182 HydrophobicContact CE1-CD1 3.8Å; Y178-L182 WeakPolarHBondContact O-CG 3.36Å; Y178-L182 PolarHBondContact O-N 3.38Å; Q179-L182 PolarHBondContact O-N 3.16Å; Q179-L182 VanDerWaalsContact O-N 3.09Å; L182-N184 VanDerWaalsContact C-N 3.25Å; L182-N184 PolarHBondContact O-N 3.27Å; L182-F185 PolarHBondContact O-N 3.24Å; L182-I205 HydrophobicContact CD2-CG2 4.14Å; L182-E208 HydrophobicContact CD1-CB 4.06Å; L182-E208 HydrophobicContact CD1-CG 3.81Å; L182-E208 HydrophobicContact CD2-CB 3.97Å; L182-E208 HydrophobicContact CD2-CG 3.89Å; L182-T210 WeakPolarHBondContact CD1-OG1 3.26Å; L182-L211 HydrophobicContact CD2-CB 4.44Å; L182-L211 HydrophobicContact CD2-CD1 3.47Å; L182-L211 VanDerWaalsContact CD2-CD1 3.47Å; L182-N212 WeakPolarHBondContact O-CB 3.27Å; L182-N212 PolarHBondContact O-N 3.49Å
183	E	91.1	Very high	92.6	Very high	39 Å²	39	33 Å²	33	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-28.5	179.4	-68.3	-161.9	132.3	0	0	112	Q179 N212 C645	Q179-E183 WeakPolarHBondContact O-CB 3.46Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.13Å; E183-N212 WeakPolarHBondContact O-CB 3.28Å; E183-N212 PolarHBondContact O-ND2 3.41Å; E183-C645 PolarHBondContact OE1-N 3.39Å
184	N	93	Very high	92.9	Very high	42 Å²	42	32.9 Å²	32.9	23%	0.225	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	22	-178.1	-57.1	-74.7	0	0	0	113.7	L155 A180 L182 E186 D187 L188	L155-N184 HydrophobicContact CD1-CB 4.39Å; L155-N184 HydrophobicContact CD2-CB 3.73Å; A180-N184 WeakPolarHBondContact O-CB 3.07Å; A180-N184 PolarHBondContact O-N 2.9Å; A180-N184 PolarHBondContact O-ND2 2.95Å; L182-N184 VanDerWaalsContact C-N 3.25Å; L182-N184 PolarHBondContact O-N 3.27Å; N184-E186 VanDerWaalsContact C-N 3.25Å; N184-E186 PolarHBondContact O-N 3.35Å; N184-E186 VanDerWaalsContact O-N 3.15Å; N184-D187 PolarHBondContact O-N 3.05Å; N184-D187 VanDerWaalsContact O-N 3.14Å; N184-L188 PolarHBondContact O-N 3.34Å
185	F	95.3	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-52.1	-40.2	-175.6	169.8	-106.1	0	0	0	113.9	I181 L182 D187 L188 W189 F194 I205 L206 L211 C213 V219 A222	I181-F185 PolarHBondContact O-N 3.25Å; L182-F185 PolarHBondContact O-N 3.24Å; F185-D187 PolarHBondContact O-N 3.11Å; F185-L188 HydrophobicContact CD2-CD2 4.34Å; F185-L188 WeakPolarHBondContact O-CB 3.34Å; F185-L188 PolarHBondContact O-N 2.75Å; F185-L188 VanDerWaalsContact O-N 3.15Å; F185-W189 AromaticContact CE1-CD1 3.8Å; F185-W189 HydrophobicContact CE2-CB 3.94Å; F185-W189 HydrophobicContact CE2-CG 4.47Å; F185-W189 HydrophobicContact CZ-CB 4.11Å; F185-W189 AromaticContact CZ-CD1 3.87Å; F185-W189 HydrophobicContact CZ-CG 4.21Å; F185-W189 PolarHBondContact O-N 3.18Å; F185-F194 HydrophobicContact CE2-CE2 4.08Å; F185-F194 HydrophobicContact CE2-CZ 4.28Å; F185-I205 HydrophobicContact CD2-CG2 4.27Å; F185-L206 HydrophobicContact CE2-CD2 3.8Å; F185-L206 HydrophobicContact CZ-CD2 3.93Å; F185-L211 HydrophobicContact CB-CD1 3.62Å; F185-L211 HydrophobicContact CB-CG 4.05Å; F185-L211 HydrophobicContact CD1-CD1 4.25Å; F185-L211 HydrophobicContact CD1-CD2 3.97Å; F185-L211 HydrophobicContact CD1-CG 3.97Å; F185-L211 HydrophobicContact CD2-CD1 3.65Å; F185-L211 HydrophobicContact CD2-CD2 4.18Å; F185-L211 HydrophobicContact CD2-CG 4.2Å; F185-L211 HydrophobicContact CE1-CD2 4Å; F185-L211 HydrophobicContact CE2-CD1 4.38Å; F185-L211 HydrophobicContact CE2-CD2 4.2Å; F185-L211 HydrophobicContact CG-CD1 3.55Å; F185-L211 HydrophobicContact CG-CD2 4.05Å; F185-L211 HydrophobicContact CG-CG 3.78Å; F185-L211 HydrophobicContact CZ-CD2 4.12Å; F185-C213 HydrophobicContact CD1-CB 3.88Å; F185-C213 HydrophobicContact CE1-CB 3.97Å; F185-V219 HydrophobicContact CE1-CG2 4.21Å; F185-A222 HydrophobicContact CE2-CB 4.31Å; F185-A222 HydrophobicContact CZ-CB 3.77Å
186	E	93.2	Very high	93.2	Very high	15 Å²	15	36 Å²	36	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-54.1	-36.7	-179.9	-76.1	-82.6	132.9	0	0	114.5	N184 W189 Q190 N212 C213 K214 N218	N184-E186 VanDerWaalsContact C-N 3.25Å; N184-E186 PolarHBondContact O-N 3.35Å; N184-E186 VanDerWaalsContact O-N 3.15Å; E186-W189 PolarHBondContact O-NE1 2.94Å; E186-Q190 PolarHBondContact O-NE2 3.12Å; E186-N212 WeakPolarHBondContact CG-O 3.45Å; E186-C213 WeakPolarHBondContact OE1-CA 3.33Å; E186-K214 HydrophobicContact CG-CD 4.18Å; E186-K214 HydrophobicContact CG-CG 3.88Å; E186-K214 PolarHBondContact OE1-N 3.28Å; E186-K214 VanDerWaalsContact OE2-CD 3.22Å; E186-K214 WeakPolarHBondContact OE2-CD 3.39Å; E186-K214 WeakPolarHBondContact OE2-CE 3.2Å; E186-K214 WeakPolarHBondContact OE2-CG 3.4Å; E186-K214 IonicContact OE2-NZ 3.87Å; E186-K214 PolarHBondContact OE2-NZ 3.03Å; E186-N218 PolarHBondContact OE1-ND2 3.45Å; E186-N218 PolarHBondContact OE2-ND2 2.81Å
187	D	93.1	Very high	93.5	Very high	94 Å²	94	34.7 Å²	34.7	50%	0.503	18%	0.184	S	C	.	.	H	α-helix	trans	-91.7	-33	178.3	-55.8	-60.9	0	0	0	110.2	L155 N184 F185 W189 Q190	L155-D187 HydrophobicContact CD1-CB 4.31Å; N184-D187 PolarHBondContact O-N 3.05Å; N184-D187 VanDerWaalsContact O-N 3.14Å; F185-D187 PolarHBondContact O-N 3.11Å; D187-W189 PolarHBondContact O-N 3.35Å; D187-Q190 PolarHBondContact O-N 3.34Å
188	L	94.6	Very high	93.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.6	-51.8	176.3	-176.5	78.1	0	0	0	113.3	L155 I159 I181 N184 F185 Q190 T191 F194	L155-L188 HydrophobicContact CB-CD1 3.94Å; L155-L188 HydrophobicContact CD1-CB 3.94Å; L155-L188 HydrophobicContact CD1-CD1 4.15Å; I159-L188 HydrophobicContact CD1-CD1 3.91Å; I159-L188 HydrophobicContact CG1-CD1 4.3Å; I181-L188 HydrophobicContact CG2-CD2 3.63Å; N184-L188 PolarHBondContact O-N 3.34Å; F185-L188 HydrophobicContact CD2-CD2 4.34Å; F185-L188 WeakPolarHBondContact O-CB 3.34Å; F185-L188 PolarHBondContact O-N 2.75Å; F185-L188 VanDerWaalsContact O-N 3.15Å; L188-Q190 PolarHBondContact O-N 2.67Å; L188-Q190 VanDerWaalsContact O-N 3.08Å; L188-T191 WeakPolarHBondContact O-CB 3.4Å; L188-T191 WeakPolarHBondContact O-CG2 3.34Å; L188-T191 PolarHBondContact O-N 3.32Å; L188-T191 PolarHBondContact O-OG1 3.34Å; L188-F194 HydrophobicContact CD2-CD2 3.91Å; L188-F194 HydrophobicContact CD2-CE2 4.38Å; L188-F194 HydrophobicContact CG-CB 4.45Å; L188-F194 HydrophobicContact CG-CD2 3.98Å; L188-F194 VanDerWaalsContact O-CB 3.28Å; L188-F194 WeakPolarHBondContact O-CB 3.47Å
189	W	94.5	Very high	93.7	Very high	39 Å²	39	38.1 Å²	38.1	15%	0.148	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.9	-169.7	72.5	-100.2	0	0	0	113.8	F185 E186 D187 F194 N218 H221 A222 E225	F185-W189 AromaticContact CE1-CD1 3.8Å; F185-W189 HydrophobicContact CE2-CB 3.94Å; F185-W189 HydrophobicContact CE2-CG 4.47Å; F185-W189 HydrophobicContact CZ-CB 4.11Å; F185-W189 AromaticContact CZ-CD1 3.87Å; F185-W189 HydrophobicContact CZ-CG 4.21Å; F185-W189 PolarHBondContact O-N 3.18Å; E186-W189 PolarHBondContact O-NE1 2.94Å; D187-W189 PolarHBondContact O-N 3.35Å; W189-F194 HydrophobicContact CB-CD1 4.05Å; W189-F194 HydrophobicContact CB-CD2 4.35Å; W189-F194 HydrophobicContact CB-CE1 3.8Å; W189-F194 HydrophobicContact CB-CE2 4.12Å; W189-F194 HydrophobicContact CB-CG 4.31Å; W189-F194 HydrophobicContact CB-CZ 3.83Å; W189-F194 WeakPolarHBondContact O-CD1 3.31Å; W189-N218 HydrophobicContact CZ2-CB 4.47Å; W189-H221 HydrophobicContact CH2-CB 4.01Å; W189-H221 HydrophobicContact CZ3-CB 4.12Å; W189-A222 HydrophobicContact CB-CB 3.6Å; W189-A222 HydrophobicContact CD2-CB 4.06Å; W189-A222 HydrophobicContact CE3-CB 4.23Å; W189-A222 HydrophobicContact CG-CB 3.79Å; W189-E225 HydrophobicContact CZ3-CG 4.28Å
190	Q	92.6	Very high	93.8	Very high	126 Å²	126	41.1 Å²	41.1	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.9	176.1	-58.3	177.8	68.3	0	0	112.9	E186 D187 L188	E186-Q190 PolarHBondContact O-NE2 3.12Å; D187-Q190 PolarHBondContact O-N 3.34Å; L188-Q190 PolarHBondContact O-N 2.67Å; L188-Q190 VanDerWaalsContact O-N 3.08Å
191	T	93.8	Very high	94	Very high	39 Å²	39	43 Å²	43	24%	0.239	23%	0.23	C	C	.	.	S	Bend	trans	-77.9	158.7	-179.2	66.7	0	0	0	0	113.1	L188 D193 F194	L188-T191 WeakPolarHBondContact O-CB 3.4Å; L188-T191 WeakPolarHBondContact O-CG2 3.34Å; L188-T191 PolarHBondContact O-N 3.32Å; L188-T191 PolarHBondContact O-OG1 3.34Å; T191-D193 VanDerWaalsContact C-N 3.26Å; T191-D193 PolarHBondContact O-N 2.77Å; T191-F194 PolarHBondContact OG1-N 3.49Å
192	S	93.7	Very high	94	Very high	85 Å²	85	43 Å²	43	59%	0.594	23%	0.23	S	C	*	.	H	α-helix	trans	-57.5	-40.4	166.2	46.1	0	0	0	0	112.2	F194 K195 T196	S192-F194 PolarHBondContact O-N 3.48Å; S192-K195 WeakPolarHBondContact O-CA 3.4Å; S192-K195 VanDerWaalsContact O-CB 3.32Å; S192-K195 WeakPolarHBondContact O-CB 3.43Å; S192-K195 PolarHBondContact O-N 3.13Å; S192-T196 PolarHBondContact O-N 3.28Å
193	D	92.9	Very high	94.1	Very high	40 Å²	40	43.4 Å²	43.4	21%	0.214	23%	0.233	C	C	.	.	H	α-helix	trans	-75.3	-33.5	-164.4	-60.1	0.9	0	0	0	111.1	S156 I159 T191 K195 T196 L197	S156-D193 WeakPolarHBondContact CB-OD2 3.15Å; S156-D193 PolarHBondContact OG-OD2 2.87Å; I159-D193 HydrophobicContact CD1-CB 3.84Å; T191-D193 VanDerWaalsContact C-N 3.26Å; T191-D193 PolarHBondContact O-N 2.77Å; D193-K195 PolarHBondContact O-N 2.76Å; D193-T196 WeakPolarHBondContact O-CA 3.47Å; D193-T196 WeakPolarHBondContact O-CB 3.1Å; D193-T196 PolarHBondContact O-N 2.82Å; D193-T196 PolarHBondContact O-OG1 2.99Å; D193-L197 PolarHBondContact O-N 3.14Å
194	F	94.3	Very high	94.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-53.5	-40.8	166.8	-179.5	-99.4	0	0	0	112.1	F185 L188 W189 T191 S192 T196 L197 L202 A222 W226	F185-F194 HydrophobicContact CE2-CE2 4.08Å; F185-F194 HydrophobicContact CE2-CZ 4.28Å; L188-F194 HydrophobicContact CD2-CD2 3.91Å; L188-F194 HydrophobicContact CD2-CE2 4.38Å; L188-F194 HydrophobicContact CG-CB 4.45Å; L188-F194 HydrophobicContact CG-CD2 3.98Å; L188-F194 VanDerWaalsContact O-CB 3.28Å; L188-F194 WeakPolarHBondContact O-CB 3.47Å; W189-F194 HydrophobicContact CB-CD1 4.05Å; W189-F194 HydrophobicContact CB-CD2 4.35Å; W189-F194 HydrophobicContact CB-CE1 3.8Å; W189-F194 HydrophobicContact CB-CE2 4.12Å; W189-F194 HydrophobicContact CB-CG 4.31Å; W189-F194 HydrophobicContact CB-CZ 3.83Å; W189-F194 WeakPolarHBondContact O-CD1 3.31Å; T191-F194 PolarHBondContact OG1-N 3.49Å; S192-F194 PolarHBondContact O-N 3.48Å; F194-T196 PolarHBondContact O-N 3.14Å; F194-L197 HydrophobicContact CD2-CD1 3.9Å; F194-L197 WeakPolarHBondContact O-CB 3.38Å; F194-L197 WeakPolarHBondContact O-CG 3.05Å; F194-L197 PolarHBondContact O-N 3.3Å; F194-L202 HydrophobicContact CD2-CD1 4.49Å; F194-L202 HydrophobicContact CE1-CD1 4.2Å; F194-L202 HydrophobicContact CE2-CD1 3.48Å; F194-L202 VanDerWaalsContact CE2-CD1 3.48Å; F194-L202 HydrophobicContact CZ-CD1 3.3Å; F194-A222 HydrophobicContact CE1-CB 4.02Å; F194-A222 HydrophobicContact CZ-CB 3.86Å; F194-W226 HydrophobicContact CE1-CB 4.27Å
195	K	93.7	Very high	94.4	Very high	40 Å²	40	42.4 Å²	42.4	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-70.3	-16.8	176.4	-54	-166.8	175.4	-165.8	0	113.7	S192 D193 E225 E229 R234	S192-K195 WeakPolarHBondContact O-CA 3.4Å; S192-K195 VanDerWaalsContact O-CB 3.32Å; S192-K195 WeakPolarHBondContact O-CB 3.43Å; S192-K195 PolarHBondContact O-N 3.13Å; D193-K195 PolarHBondContact O-N 2.76Å; K195-E225 WeakPolarHBondContact CE-OE2 3.24Å; K195-E225 IonicContact NZ-OE2 2.68Å; K195-E225 PolarHBondContact NZ-OE2 3.14Å; K195-E229 HydrophobicContact CB-CG 4.16Å; K195-E229 HydrophobicContact CD-CB 4.37Å; K195-E229 HydrophobicContact CD-CG 4.27Å; K195-E229 WeakPolarHBondContact CD-OE2 3.27Å; K195-E229 IonicContact NZ-OE2 2.67Å; K195-E229 PolarHBondContact NZ-OE2 3.5Å; K195-R234 PolarHBondContact O-NH1 2.86Å; K195-R234 PolarHBondContact O-NH2 2.57Å
196	T	94.1	Very high	94.5	Very high	104 Å²	104	42.4 Å²	42.4	64%	0.638	23%	0.227	S	C	*	.	H	α-helix	trans	-86.8	-13.7	173.9	74.6	0	0	0	0	114.1	S192 D193 F194	S192-T196 PolarHBondContact O-N 3.28Å; D193-T196 WeakPolarHBondContact O-CA 3.47Å; D193-T196 WeakPolarHBondContact O-CB 3.1Å; D193-T196 PolarHBondContact O-N 2.82Å; D193-T196 PolarHBondContact O-OG1 2.99Å; F194-T196 PolarHBondContact O-N 3.14Å
197	L	95	Very high	94.4	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.232	C	C	.	.	S	Bend	trans	-60.4	140.7	180	-66.2	175.8	0	0	0	111.8	I159 W162 L163 D193 F194 I205 W226	I159-L197 HydrophobicContact CD1-CD2 4.32Å; I159-L197 HydrophobicContact CG1-CD2 4.49Å; I159-L197 HydrophobicContact CG2-CD2 3.81Å; W162-L197 HydrophobicContact CZ3-CD2 4.42Å; L163-L197 HydrophobicContact CD1-CD2 4.37Å; D193-L197 PolarHBondContact O-N 3.14Å; F194-L197 HydrophobicContact CD2-CD1 3.9Å; F194-L197 WeakPolarHBondContact O-CB 3.38Å; F194-L197 WeakPolarHBondContact O-CG 3.05Å; F194-L197 PolarHBondContact O-N 3.3Å; L197-I205 HydrophobicContact CD1-CD1 3.83Å; L197-W226 WeakPolarHBondContact O-CZ2 3.35Å; L197-W226 PolarHBondContact O-NE1 3.36Å
198	D	94.4	Very high	94.5	Very high	79 Å²	79	42.1 Å²	42.1	42%	0.422	22%	0.222	S	C	.	.			trans	-66.1	151.6	169.6	173.6	64.4	0	0	0	111.8	N200 H201 L202	D198-N200 VanDerWaalsContact C-N 3.28Å; D198-N200 PolarHBondContact O-N 2.83Å; D198-N200 VanDerWaalsContact OD2-CB 3.28Å; D198-N200 WeakPolarHBondContact OD2-CB 3.28Å; D198-N200 PolarHBondContact OD2-N 2.94Å; D198-N200 PolarHBondContact OD2-ND2 3.37Å; D198-H201 WeakPolarHBondContact O-CB 3.46Å; D198-H201 PolarHBondContact O-N 2.86Å; D198-L202 PolarHBondContact O-N 3.03Å
199	V	95.9	Very high	94.2	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-54.5	-40.9	-179.2	62.2	0	0	0	0	112.6	H201 L202 C203 W226 Y237	V199-H201 VanDerWaalsContact C-N 3.29Å; V199-H201 PolarHBondContact O-N 3.27Å; V199-L202 PolarHBondContact O-N 3.04Å; V199-C203 WeakPolarHBondContact O-CB 3.45Å; V199-C203 PolarHBondContact O-N 3.31Å; V199-C203 PolarHBondContact O-SG 3.13Å; V199-C203 VanDerWaalsContact O-SG 3.35Å; V199-W226 HydrophobicContact CB-CH2 3.93Å; V199-W226 HydrophobicContact CB-CZ2 4.32Å; V199-W226 HydrophobicContact CG2-CH2 4.42Å; V199-Y237 HydrophobicContact CB-CD1 4.31Å; V199-Y237 HydrophobicContact CB-CD2 4.35Å; V199-Y237 HydrophobicContact CB-CG 4.17Å; V199-Y237 HydrophobicContact CG1-CD1 4.1Å; V199-Y237 HydrophobicContact CG1-CE1 4.02Å; V199-Y237 HydrophobicContact CG1-CG 4.42Å; V199-Y237 HydrophobicContact CG2-CD1 3.84Å; V199-Y237 HydrophobicContact CG2-CD2 4.31Å; V199-Y237 HydrophobicContact CG2-CG 3.69Å
200	N	94.6	Very high	94.1	Very high	107 Å²	107	43.3 Å²	43.3	57%	0.572	23%	0.232	S	C	*	.	H	α-helix	trans	-66.7	-35	-178.6	-58.8	-90.5	0	0	0	111.2	D198 Q204	D198-N200 VanDerWaalsContact C-N 3.28Å; D198-N200 PolarHBondContact O-N 2.83Å; D198-N200 VanDerWaalsContact OD2-CB 3.28Å; D198-N200 WeakPolarHBondContact OD2-CB 3.28Å; D198-N200 PolarHBondContact OD2-N 2.94Å; D198-N200 PolarHBondContact OD2-ND2 3.37Å; N200-Q204 WeakPolarHBondContact O-CB 3.22Å; N200-Q204 PolarHBondContact O-N 3.15Å
201	H	94.6	Very high	94.2	Very high	40 Å²	40	37.3 Å²	37.3	19%	0.185	20%	0.204	C	C	.	.	H	α-helix	trans	-72.3	-39.5	176.2	-71.4	113.7	0	0	0	111.9	W162 K166 D198 V199 Q204 I205	W162-H201 HydrophobicContact CH2-CB 3.68Å; W162-H201 AromaticContact CH2-CD2 3.49Å; W162-H201 VanDerWaalsContact CH2-CD2 3.49Å; W162-H201 WeakPolarHBondContact CH2-CD2 3.37Å; W162-H201 AromaticContact CH2-CG 3.91Å; W162-H201 AromaticContact CZ2-CD2 3.77Å; W162-H201 HydrophobicContact CZ3-CB 3.94Å; W162-H201 AromaticContact CZ3-CD2 3.99Å; K166-H201 PolarHBondContact NZ-CD2 3.16Å; K166-H201 PolarHBondContact NZ-NE2 2.98Å; D198-H201 WeakPolarHBondContact O-CB 3.46Å; D198-H201 PolarHBondContact O-N 2.86Å; V199-H201 VanDerWaalsContact C-N 3.29Å; V199-H201 PolarHBondContact O-N 3.27Å; H201-Q204 WeakPolarHBondContact O-CB 3.21Å; H201-Q204 PolarHBondContact O-N 3.4Å; H201-I205 WeakPolarHBondContact O-CG1 3.16Å; H201-I205 PolarHBondContact O-N 3.36Å; H201-I205 VanDerWaalsContact O-N 3.11Å
202	L	96.2	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-48.8	173.5	-178.4	61	0	0	0	111.6	F194 D198 V199 Q204 I205 L206 W226 L241	F194-L202 HydrophobicContact CD2-CD1 4.49Å; F194-L202 HydrophobicContact CE1-CD1 4.2Å; F194-L202 HydrophobicContact CE2-CD1 3.48Å; F194-L202 VanDerWaalsContact CE2-CD1 3.48Å; F194-L202 HydrophobicContact CZ-CD1 3.3Å; D198-L202 PolarHBondContact O-N 3.03Å; V199-L202 PolarHBondContact O-N 3.04Å; L202-Q204 PolarHBondContact O-N 2.69Å; L202-I205 PolarHBondContact O-N 3.19Å; L202-L206 HydrophobicContact CD1-CD1 3.75Å; L202-L206 HydrophobicContact CD1-CD2 4.13Å; L202-L206 HydrophobicContact CD1-CG 3.74Å; L202-L206 HydrophobicContact CD2-CD1 4.39Å; L202-L206 HydrophobicContact CG-CD1 3.79Å; L202-L206 HydrophobicContact CG-CG 4.12Å; L202-L206 WeakPolarHBondContact O-CG 3.39Å; L202-L206 PolarHBondContact O-N 3.44Å; L202-W226 HydrophobicContact CD2-CB 3.83Å; L202-W226 HydrophobicContact CD2-CD2 3.47Å; L202-W226 VanDerWaalsContact CD2-CD2 3.47Å; L202-W226 HydrophobicContact CD2-CE3 3.96Å; L202-W226 HydrophobicContact CD2-CG 3.39Å; L202-L241 HydrophobicContact CB-CD2 4.26Å; L202-L241 HydrophobicContact CD2-CD1 4.04Å; L202-L241 HydrophobicContact CD2-CD2 3.51Å; L202-L241 HydrophobicContact CD2-CG 4.44Å; L202-L241 HydrophobicContact CG-CD2 3.64Å
203	C	95.2	Very high	94	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.054	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-34.2	174.5	-73.6	0	0	0	0	112.4	V199 H207 E240 L241	V199-C203 WeakPolarHBondContact O-CB 3.45Å; V199-C203 PolarHBondContact O-N 3.31Å; V199-C203 PolarHBondContact O-SG 3.13Å; V199-C203 VanDerWaalsContact O-SG 3.35Å; C203-H207 WeakPolarHBondContact O-CB 3.32Å; C203-H207 PolarHBondContact O-N 3.35Å; C203-H207 PolarHBondContact O-ND1 2.83Å; C203-E240 PolarHBondContact SG-OE1 3.01Å; C203-L241 VanDerWaalsContact SG-CD2 3.55Å
204	Q	94.3	Very high	93.7	Very high	61 Å²	61	39.3 Å²	39.3	29%	0.285	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-56.5	173.5	-151.6	-164.2	-47.8	0	0	110.5	Y178 N200 H201 L202 L206 H207	Y178-Q204 WeakPolarHBondContact OH-CG 3.42Å; Y178-Q204 PolarHBondContact OH-NE2 2.99Å; Y178-Q204 VanDerWaalsContact OH-NE2 3.08Å; Y178-Q204 PolarHBondContact OH-O 2.89Å; N200-Q204 WeakPolarHBondContact O-CB 3.22Å; N200-Q204 PolarHBondContact O-N 3.15Å; H201-Q204 WeakPolarHBondContact O-CB 3.21Å; H201-Q204 PolarHBondContact O-N 3.4Å; L202-Q204 PolarHBondContact O-N 2.69Å; Q204-L206 PolarHBondContact O-N 3.09Å; Q204-H207 PolarHBondContact O-N 3.23Å
205	I	96.5	Very high	93.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.5	-51.2	179.8	-68.8	165.8	0	0	0	111.3	W162 Y178 I181 L182 F185 L197 H201 L202 H207 E208 L211	W162-I205 HydrophobicContact CH2-CD1 3.88Å; W162-I205 HydrophobicContact CH2-CG1 3.97Å; W162-I205 HydrophobicContact CZ3-CD1 3.85Å; W162-I205 HydrophobicContact CZ3-CG1 4.41Å; Y178-I205 HydrophobicContact CE2-CG1 3.97Å; I181-I205 HydrophobicContact CG2-CD1 3.73Å; I181-I205 HydrophobicContact CG2-CG1 4.07Å; L182-I205 HydrophobicContact CD2-CG2 4.14Å; F185-I205 HydrophobicContact CD2-CG2 4.27Å; L197-I205 HydrophobicContact CD1-CD1 3.83Å; H201-I205 WeakPolarHBondContact O-CG1 3.16Å; H201-I205 PolarHBondContact O-N 3.36Å; H201-I205 VanDerWaalsContact O-N 3.11Å; L202-I205 PolarHBondContact O-N 3.19Å; I205-H207 PolarHBondContact O-N 2.96Å; I205-E208 PolarHBondContact O-N 3.44Å; I205-L211 HydrophobicContact CG2-CD1 3.56Å
206	L	96.5	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.5	-20.3	-174	-60.8	-176.9	0	0	0	113.3	F185 L202 Q204 L211 V219 V223 L241 C244 R300	F185-L206 HydrophobicContact CE2-CD2 3.8Å; F185-L206 HydrophobicContact CZ-CD2 3.93Å; L202-L206 HydrophobicContact CD1-CD1 3.75Å; L202-L206 HydrophobicContact CD1-CD2 4.13Å; L202-L206 HydrophobicContact CD1-CG 3.74Å; L202-L206 HydrophobicContact CD2-CD1 4.39Å; L202-L206 HydrophobicContact CG-CD1 3.79Å; L202-L206 HydrophobicContact CG-CG 4.12Å; L202-L206 WeakPolarHBondContact O-CG 3.39Å; L202-L206 PolarHBondContact O-N 3.44Å; Q204-L206 PolarHBondContact O-N 3.09Å; L206-L211 HydrophobicContact CD2-CD2 4.3Å; L206-V219 HydrophobicContact CD2-CG1 4.15Å; L206-V223 HydrophobicContact CD1-CG2 3.43Å; L206-V223 VanDerWaalsContact CD1-CG2 3.43Å; L206-L241 HydrophobicContact CD1-CD2 4.05Å; L206-C244 HydrophobicContact CB-CB 3.64Å; L206-R300 PolarHBondContact O-NH1 3.03Å; L206-R300 PolarHBondContact O-NH2 2.89Å
207	H	92.5	Very high	93.6	Very high	39 Å²	39	38.6 Å²	38.6	18%	0.181	19%	0.193	C	C	.	.	H	α-helix	trans	-78.3	-29.4	175	-92.3	101.3	0	0	0	114.3	C203 Q204 I205 D209 C244 Y292 R295	C203-H207 WeakPolarHBondContact O-CB 3.32Å; C203-H207 PolarHBondContact O-N 3.35Å; C203-H207 PolarHBondContact O-ND1 2.83Å; Q204-H207 PolarHBondContact O-N 3.23Å; I205-H207 PolarHBondContact O-N 2.96Å; H207-D209 PolarHBondContact O-N 3.47Å; H207-C244 PolarHBondContact CE1-SG 2.91Å; H207-C244 PolarHBondContact ND1-SG 2.95Å; H207-Y292 AromaticContact NE2-CE1 3.76Å; H207-R295 PolarHBondContact CD2-NH1 3.21Å; H207-R295 PolarHBondContact NE2-NH1 2.64Å; H207-R295 VanDerWaalsContact NE2-NH1 3.19Å
208	E	93.5	Very high	93.7	Very high	63 Å²	63	40 Å²	40	29%	0.294	20%	0.2	S	C	.	.			trans	-59.1	127.2	-170	-67.3	-66.1	176.3	0	0	113	Y178 L182 I205 T210 L211 R300	Y178-E208 HydrophobicContact CE1-CG 4.09Å; Y178-E208 VanDerWaalsContact CE1-OE1 3.24Å; Y178-E208 WeakPolarHBondContact CE1-OE1 3.35Å; Y178-E208 WeakPolarHBondContact OH-CG 3.35Å; Y178-E208 PolarHBondContact OH-OE1 3.12Å; L182-E208 HydrophobicContact CD1-CB 4.06Å; L182-E208 HydrophobicContact CD1-CG 3.81Å; L182-E208 HydrophobicContact CD2-CB 3.97Å; L182-E208 HydrophobicContact CD2-CG 3.89Å; I205-E208 PolarHBondContact O-N 3.44Å; E208-T210 PolarHBondContact O-N 3.08Å; E208-L211 WeakPolarHBondContact O-CB 3.44Å; E208-L211 PolarHBondContact O-N 3.3Å; E208-L211 VanDerWaalsContact O-N 3.08Å; E208-R300 PolarHBondContact O-NH1 2.82Å
209	D	90.4	Very high	93.8	Very high	55 Å²	55	36.2 Å²	36.2	29%	0.294	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.6	170.7	-71.2	-49.5	0	0	0	111.6	H207 L211 R246 R300 L301	H207-D209 PolarHBondContact O-N 3.47Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 3.08Å; D209-R246 IonicContact OD1-CZ 2.62Å; D209-R246 IonicContact OD1-NE 2.91Å; D209-R246 IonicContact OD1-NH2 2.79Å; D209-R246 PolarHBondContact OD1-NH2 3.13Å; D209-R300 CarbonylContact O-C 3.59Å; D209-R300 WeakPolarHBondContact O-CA 3.32Å; D209-L301 HydrophobicContact CB-CD1 4.02Å; D209-L301 HydrophobicContact CB-CG 4.11Å; D209-L301 PolarHBondContact O-N 2.74Å
210	T	91.8	Very high	93.9	Very high	9 Å²	9	36 Å²	36	6%	0.055	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	17.8	173.3	63.4	0	0	0	0	113.9	L182 E208 L301 H303 C645	L182-T210 WeakPolarHBondContact CD1-OG1 3.26Å; E208-T210 PolarHBondContact O-N 3.08Å; T210-L301 HydrophobicContact CG2-CD1 3.78Å; T210-H303 PolarHBondContact O-CE1 2.92Å; T210-H303 PolarHBondContact O-NE2 3.4Å; T210-H303 VanDerWaalsContact O-NE2 3.15Å; T210-C645 VanDerWaalsContact CG2-SG 3.51Å
211	L	94.4	Very high	94	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.168	C	C	.	.			trans	-74	124.2	172.8	-170.9	74.1	0	0	0	111.2	L182 F185 I205 L206 E208 D209 C213 V219	L182-L211 HydrophobicContact CD2-CB 4.44Å; L182-L211 HydrophobicContact CD2-CD1 3.47Å; L182-L211 VanDerWaalsContact CD2-CD1 3.47Å; F185-L211 HydrophobicContact CB-CD1 3.62Å; F185-L211 HydrophobicContact CB-CG 4.05Å; F185-L211 HydrophobicContact CD1-CD1 4.25Å; F185-L211 HydrophobicContact CD1-CD2 3.97Å; F185-L211 HydrophobicContact CD1-CG 3.97Å; F185-L211 HydrophobicContact CD2-CD1 3.65Å; F185-L211 HydrophobicContact CD2-CD2 4.18Å; F185-L211 HydrophobicContact CD2-CG 4.2Å; F185-L211 HydrophobicContact CE1-CD2 4Å; F185-L211 HydrophobicContact CE2-CD1 4.38Å; F185-L211 HydrophobicContact CE2-CD2 4.2Å; F185-L211 HydrophobicContact CG-CD1 3.55Å; F185-L211 HydrophobicContact CG-CD2 4.05Å; F185-L211 HydrophobicContact CG-CG 3.78Å; F185-L211 HydrophobicContact CZ-CD2 4.12Å; I205-L211 HydrophobicContact CG2-CD1 3.56Å; L206-L211 HydrophobicContact CD2-CD2 4.3Å; E208-L211 WeakPolarHBondContact O-CB 3.44Å; E208-L211 PolarHBondContact O-N 3.3Å; E208-L211 VanDerWaalsContact O-N 3.08Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 3.08Å; L211-C213 PolarHBondContact O-N 3.22Å; L211-C213 VanDerWaalsContact O-N 3.12Å; L211-V219 HydrophobicContact CD2-CG2 4.41Å
212	N	92.4	Very high	94.1	Very high	51 Å²	51	32.6 Å²	32.6	27%	0.273	16%	0.159	S	C	.	.			trans	-84.8	78	-178.7	-165.1	24.4	0	0	0	112.6	L182 E183 E186 H303	L182-N212 WeakPolarHBondContact O-CB 3.27Å; L182-N212 PolarHBondContact O-N 3.49Å; E183-N212 WeakPolarHBondContact O-CB 3.28Å; E183-N212 PolarHBondContact O-ND2 3.41Å; E186-N212 WeakPolarHBondContact CG-O 3.45Å; N212-H303 VanDerWaalsContact CB-CE1 3.43Å; N212-H303 WeakPolarHBondContact CB-CE1 3.36Å; N212-H303 WeakPolarHBondContact CB-ND1 3.28Å; N212-H303 PolarHBondContact OD1-ND1 3.4Å
213	C	91.4	Very high	94.2	Very high	20 Å²	20	32.6 Å²	32.6	14%	0.135	16%	0.159	C	C	.	.			trans	-102	134.1	168.5	61.7	0	0	0	0	111.8	F185 E186 L211 V219	F185-C213 HydrophobicContact CD1-CB 3.88Å; F185-C213 HydrophobicContact CE1-CB 3.97Å; E186-C213 WeakPolarHBondContact OE1-CA 3.33Å; L211-C213 PolarHBondContact O-N 3.22Å; L211-C213 VanDerWaalsContact O-N 3.12Å; C213-V219 HydrophobicContact CB-CG2 3.89Å
214	K	86.4	Confident	94.2	Very high	135 Å²	135	32.6 Å²	32.6	59%	0.587	16%	0.159	S	C	*	.	S	Bend	trans	-73.6	-28.9	177.5	-63.8	174.1	-157.5	117.9	0	112.1	E186	E186-K214 HydrophobicContact CG-CD 4.18Å; E186-K214 HydrophobicContact CG-CG 3.88Å; E186-K214 PolarHBondContact OE1-N 3.28Å; E186-K214 VanDerWaalsContact OE2-CD 3.22Å; E186-K214 WeakPolarHBondContact OE2-CD 3.39Å; E186-K214 WeakPolarHBondContact OE2-CE 3.2Å; E186-K214 WeakPolarHBondContact OE2-CG 3.4Å; E186-K214 IonicContact OE2-NZ 3.87Å; E186-K214 PolarHBondContact OE2-NZ 3.03Å
215	H	90.9	Very high	94.3	Very high	82 Å²	82	33.2 Å²	33.2	38%	0.38	16%	0.161	S	C	.	.	S	Bend	trans	-141.8	141.3	171.1	-139.1	-103	0	0	0	109.2	L217 N218 E254	H215-L217 HydrophobicContact CB-CB 4.44Å; H215-L217 PolarHBondContact O-N 3.27Å; H215-N218 WeakPolarHBondContact O-CB 3.33Å; H215-N218 PolarHBondContact O-N 2.7Å; H215-E254 IonicContact CE1-OE1 2.73Å; H215-E254 PolarHBondContact CE1-OE1 3.01Å; H215-E254 IonicContact CE1-OE2 3.43Å; H215-E254 IonicContact ND1-OE1 3.13Å; H215-E254 PolarHBondContact ND1-OE1 3.01Å
216	E	93.8	Very high	94.4	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-17	176.1	-160.5	80.2	-173.9	0	0	111.4	N218 V219 F220 I245 R246 M249 L250 R300	E216-N218 PolarHBondContact O-N 2.9Å; E216-V219 HydrophobicContact CG-CB 4.41Å; E216-V219 HydrophobicContact CG-CG2 4.26Å; E216-V219 VanDerWaalsContact O-CB 3.25Å; E216-V219 WeakPolarHBondContact O-CB 3.42Å; E216-V219 PolarHBondContact O-N 2.88Å; E216-F220 PolarHBondContact O-N 3.4Å; E216-I245 HydrophobicContact CG-CG2 3.97Å; E216-R246 HydrophobicContact CG-CB 3.82Å; E216-R246 PolarHBondContact OE1-N 3.23Å; E216-R246 IonicContact OE1-NH1 2.64Å; E216-R246 PolarHBondContact OE1-NH1 3.33Å; E216-M249 HydrophobicContact CB-CB 4.02Å; E216-L250 HydrophobicContact CB-CD2 4.26Å; E216-R300 IonicContact OE1-CZ 3.08Å; E216-R300 IonicContact OE1-NE 2.95Å; E216-R300 IonicContact OE1-NH2 2.64Å; E216-R300 PolarHBondContact OE1-NH2 3.48Å; E216-R300 IonicContact OE2-NE 2.98Å; E216-R300 PolarHBondContact OE2-NE 2.87Å; E216-R300 IonicContact OE2-NH2 3.79Å
217	L	95.4	Very high	94.4	Very high	39 Å²	39	33.6 Å²	33.6	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-30.4	169.8	-173.5	66.7	0	0	0	112.2	H215 V219 F220 H221 L250 E254 I258	H215-L217 HydrophobicContact CB-CB 4.44Å; H215-L217 PolarHBondContact O-N 3.27Å; L217-V219 VanDerWaalsContact C-N 3.27Å; L217-V219 PolarHBondContact O-N 2.96Å; L217-F220 HydrophobicContact CD1-CD1 4.11Å; L217-F220 WeakPolarHBondContact O-CB 3.07Å; L217-F220 PolarHBondContact O-N 2.77Å; L217-H221 PolarHBondContact O-CD2 2.88Å; L217-H221 VanDerWaalsContact O-CD2 3.25Å; L217-H221 PolarHBondContact O-N 3.07Å; L217-L250 HydrophobicContact CB-CD2 3.99Å; L217-L250 HydrophobicContact CD1-CD2 4.48Å; L217-E254 WeakPolarHBondContact CB-OE1 3.44Å; L217-E254 HydrophobicContact CD1-CB 4.48Å; L217-E254 HydrophobicContact CD2-CG 4.27Å; L217-E254 WeakPolarHBondContact CD2-OE1 3.44Å; L217-I258 HydrophobicContact CD1-CD1 3.94Å; L217-I258 HydrophobicContact CD1-CG1 4.27Å
218	N	95.8	Very high	94.5	Very high	33 Å²	33	35.4 Å²	35.4	18%	0.176	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-30.2	175.6	-60.9	-7.2	0	0	0	111.1	E186 W189 H215 E216 H221 A222	E186-N218 PolarHBondContact OE1-ND2 3.45Å; E186-N218 PolarHBondContact OE2-ND2 2.81Å; W189-N218 HydrophobicContact CZ2-CB 4.47Å; H215-N218 WeakPolarHBondContact O-CB 3.33Å; H215-N218 PolarHBondContact O-N 2.7Å; E216-N218 PolarHBondContact O-N 2.9Å; N218-H221 PolarHBondContact O-N 2.67Å; N218-A222 VanDerWaalsContact O-CB 3.32Å; N218-A222 WeakPolarHBondContact O-CB 3.38Å; N218-A222 PolarHBondContact O-N 3.48Å
219	V	97.2	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-41.2	172.1	-173.5	0	0	0	0	110.2	F185 L206 L211 C213 E216 L217 V223 I245	F185-V219 HydrophobicContact CE1-CG2 4.21Å; L206-V219 HydrophobicContact CD2-CG1 4.15Å; L211-V219 HydrophobicContact CD2-CG2 4.41Å; C213-V219 HydrophobicContact CB-CG2 3.89Å; E216-V219 HydrophobicContact CG-CB 4.41Å; E216-V219 HydrophobicContact CG-CG2 4.26Å; E216-V219 VanDerWaalsContact O-CB 3.25Å; E216-V219 WeakPolarHBondContact O-CB 3.42Å; E216-V219 PolarHBondContact O-N 2.88Å; L217-V219 VanDerWaalsContact C-N 3.27Å; L217-V219 PolarHBondContact O-N 2.96Å; V219-V223 WeakPolarHBondContact O-CG2 3.28Å; V219-V223 PolarHBondContact O-N 3.15Å; V219-V223 VanDerWaalsContact O-N 3.15Å; V219-I245 HydrophobicContact CG1-CG1 4.16Å
220	F	97.4	Very high	94.8	Very high	6 Å²	6	37 Å²	37	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-46.4	172.4	171.4	-103.8	0	0	0	112.2	E216 L217 A222 V223 V224 L242 I245 I258 H261 I264	E216-F220 PolarHBondContact O-N 3.4Å; L217-F220 HydrophobicContact CD1-CD1 4.11Å; L217-F220 WeakPolarHBondContact O-CB 3.07Å; L217-F220 PolarHBondContact O-N 2.77Å; F220-A222 PolarHBondContact O-N 3.29Å; F220-V223 PolarHBondContact O-N 2.92Å; F220-V224 HydrophobicContact CD1-CG2 4.43Å; F220-V224 HydrophobicContact CD2-CG2 4.33Å; F220-V224 HydrophobicContact CE1-CG2 3.93Å; F220-V224 HydrophobicContact CE2-CG2 3.81Å; F220-V224 HydrophobicContact CZ-CG2 3.6Å; F220-V224 WeakPolarHBondContact O-CG2 3.23Å; F220-V224 PolarHBondContact O-N 3.21Å; F220-L242 HydrophobicContact CD2-CD2 4.16Å; F220-L242 HydrophobicContact CE2-CD2 4.2Å; F220-I245 HydrophobicContact CB-CD1 3.99Å; F220-I245 HydrophobicContact CD2-CD1 4Å; F220-I258 HydrophobicContact CB-CD1 4.47Å; F220-I258 HydrophobicContact CD1-CD1 4.29Å; F220-I258 HydrophobicContact CD1-CG1 3.85Å; F220-I258 HydrophobicContact CD2-CG1 4.28Å; F220-I258 HydrophobicContact CD2-CG2 4.22Å; F220-I258 HydrophobicContact CE1-CG1 3.84Å; F220-I258 HydrophobicContact CE2-CG1 4.28Å; F220-I258 HydrophobicContact CE2-CG2 3.88Å; F220-I258 HydrophobicContact CG-CD1 4.16Å; F220-I258 HydrophobicContact CG-CG1 4.07Å; F220-I258 HydrophobicContact CZ-CB 4.46Å; F220-I258 HydrophobicContact CZ-CG1 4.06Å; F220-I258 HydrophobicContact CZ-CG2 4.17Å; F220-H261 HydrophobicContact CZ-CB 4.1Å; F220-H261 AromaticContact CZ-CG 3.91Å; F220-I264 HydrophobicContact CE2-CD1 4.09Å; F220-I264 HydrophobicContact CE2-CG1 4.19Å
221	H	96.9	Very high	94.8	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.347	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-40.3	177.6	-70.8	-50.1	0	0	0	112.7	W189 L217 N218 V223 V224 E225	W189-H221 HydrophobicContact CH2-CB 4.01Å; W189-H221 HydrophobicContact CZ3-CB 4.12Å; L217-H221 PolarHBondContact O-CD2 2.88Å; L217-H221 VanDerWaalsContact O-CD2 3.25Å; L217-H221 PolarHBondContact O-N 3.07Å; N218-H221 PolarHBondContact O-N 2.67Å; H221-V223 VanDerWaalsContact C-N 3.35Å; H221-V223 PolarHBondContact O-N 3.26Å; H221-V224 PolarHBondContact O-N 3.27Å; H221-E225 PolarHBondContact O-N 3.16Å
222	A	97.3	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-41.7	174.2	0	0	0	0	0	112.7	F185 W189 F194 N218 F220 W226	F185-A222 HydrophobicContact CE2-CB 4.31Å; F185-A222 HydrophobicContact CZ-CB 3.77Å; W189-A222 HydrophobicContact CB-CB 3.6Å; W189-A222 HydrophobicContact CD2-CB 4.06Å; W189-A222 HydrophobicContact CE3-CB 4.23Å; W189-A222 HydrophobicContact CG-CB 3.79Å; F194-A222 HydrophobicContact CE1-CB 4.02Å; F194-A222 HydrophobicContact CZ-CB 3.86Å; N218-A222 VanDerWaalsContact O-CB 3.32Å; N218-A222 WeakPolarHBondContact O-CB 3.38Å; N218-A222 PolarHBondContact O-N 3.48Å; F220-A222 PolarHBondContact O-N 3.29Å; A222-W226 WeakPolarHBondContact O-CB 3.29Å; A222-W226 PolarHBondContact O-N 2.84Å
223	V	97.5	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-44.3	174.3	168.8	0	0	0	0	111.4	L206 V219 F220 H221 I227 L241 L242	L206-V223 HydrophobicContact CD1-CG2 3.43Å; L206-V223 VanDerWaalsContact CD1-CG2 3.43Å; V219-V223 WeakPolarHBondContact O-CG2 3.28Å; V219-V223 PolarHBondContact O-N 3.15Å; V219-V223 VanDerWaalsContact O-N 3.15Å; F220-V223 PolarHBondContact O-N 2.92Å; H221-V223 VanDerWaalsContact C-N 3.35Å; H221-V223 PolarHBondContact O-N 3.26Å; V223-I227 HydrophobicContact CG1-CD1 3.64Å; V223-I227 WeakPolarHBondContact O-CB 3.32Å; V223-I227 WeakPolarHBondContact O-CD1 3.45Å; V223-I227 VanDerWaalsContact O-CG1 3.26Å; V223-I227 WeakPolarHBondContact O-CG1 3.38Å; V223-I227 PolarHBondContact O-N 2.96Å; V223-L241 HydrophobicContact CG1-CB 3.7Å; V223-L241 HydrophobicContact CG2-CB 4.02Å; V223-L242 HydrophobicContact CG1-CD2 4.13Å; V223-L242 HydrophobicContact CG1-CG 4.37Å
224	V	96.6	Very high	95.2	Very high	8 Å²	8	53 Å²	53	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-48.7	177.3	169.4	0	0	0	0	111.3	F220 H221 W226 I227 N228 L263	F220-V224 HydrophobicContact CD1-CG2 4.43Å; F220-V224 HydrophobicContact CD2-CG2 4.33Å; F220-V224 HydrophobicContact CE1-CG2 3.93Å; F220-V224 HydrophobicContact CE2-CG2 3.81Å; F220-V224 HydrophobicContact CZ-CG2 3.6Å; F220-V224 WeakPolarHBondContact O-CG2 3.23Å; F220-V224 PolarHBondContact O-N 3.21Å; H221-V224 PolarHBondContact O-N 3.27Å; V224-W226 PolarHBondContact O-N 3.42Å; V224-I227 PolarHBondContact O-N 2.74Å; V224-N228 VanDerWaalsContact CG1-ND2 3.34Å; V224-N228 WeakPolarHBondContact CG1-ND2 3.34Å; V224-N228 WeakPolarHBondContact O-CB 3.36Å; V224-N228 PolarHBondContact O-N 3.18Å; V224-N228 PolarHBondContact O-ND2 3.36Å; V224-L263 HydrophobicContact CG2-CD2 3.89Å
225	E	95.9	Very high	95.6	Very high	73 Å²	73	49 Å²	49	34%	0.341	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-40	-179.9	-82.4	-60.6	109.4	0	0	113	W189 K195 H221	W189-E225 HydrophobicContact CZ3-CG 4.28Å; K195-E225 WeakPolarHBondContact CE-OE2 3.24Å; K195-E225 IonicContact NZ-OE2 2.68Å; K195-E225 PolarHBondContact NZ-OE2 3.14Å; H221-E225 PolarHBondContact O-N 3.16Å
226	W	97.6	Very high	95.7	Very high	8 Å²	8	51.7 Å²	51.7	3%	0.03	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-39.4	175.8	-174.7	96.6	0	0	0	112	F194 L197 V199 L202 A222 V224 R234 Y237 L241	F194-W226 HydrophobicContact CE1-CB 4.27Å; L197-W226 WeakPolarHBondContact O-CZ2 3.35Å; L197-W226 PolarHBondContact O-NE1 3.36Å; V199-W226 HydrophobicContact CB-CH2 3.93Å; V199-W226 HydrophobicContact CB-CZ2 4.32Å; V199-W226 HydrophobicContact CG2-CH2 4.42Å; L202-W226 HydrophobicContact CD2-CB 3.83Å; L202-W226 HydrophobicContact CD2-CD2 3.47Å; L202-W226 VanDerWaalsContact CD2-CD2 3.47Å; L202-W226 HydrophobicContact CD2-CE3 3.96Å; L202-W226 HydrophobicContact CD2-CG 3.39Å; A222-W226 WeakPolarHBondContact O-CB 3.29Å; A222-W226 PolarHBondContact O-N 2.84Å; V224-W226 PolarHBondContact O-N 3.42Å; W226-R234 VanDerWaalsContact CE2-NH1 3.33Å; W226-R234 HydrophobicContact CE3-CB 4.26Å; W226-R234 HydrophobicContact CE3-CG 4.31Å; W226-R234 HydrophobicContact CH2-CB 4.3Å; W226-R234 HydrophobicContact CH2-CG 3.89Å; W226-R234 HydrophobicContact CZ3-CB 3.72Å; W226-R234 HydrophobicContact CZ3-CG 3.76Å; W226-R234 WeakPolarHBondContact O-CD 3.48Å; W226-R234 PolarHBondContact O-NH1 3.32Å; W226-Y237 HydrophobicContact CH2-CD2 4.07Å; W226-Y237 HydrophobicContact CZ3-CD2 4.27Å; W226-L241 HydrophobicContact CE3-CD1 3.64Å; W226-L241 HydrophobicContact CZ3-CD1 3.68Å
227	I	96.6	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-70.2	-42	179.3	-67.9	165.6	0	0	0	111.1	V223 V224 E229 D230 L231 R234 L241 L263	V223-I227 HydrophobicContact CG1-CD1 3.64Å; V223-I227 WeakPolarHBondContact O-CB 3.32Å; V223-I227 WeakPolarHBondContact O-CD1 3.45Å; V223-I227 VanDerWaalsContact O-CG1 3.26Å; V223-I227 WeakPolarHBondContact O-CG1 3.38Å; V223-I227 PolarHBondContact O-N 2.96Å; V224-I227 PolarHBondContact O-N 2.74Å; I227-E229 PolarHBondContact O-N 3.31Å; I227-D230 CarbonylContact O-C 3.31Å; I227-D230 VanDerWaalsContact O-C 3.31Å; I227-D230 PolarHBondContact O-N 3.12Å; I227-L231 HydrophobicContact CG2-CD1 3.81Å; I227-L231 VanDerWaalsContact O-CA 3.28Å; I227-L231 WeakPolarHBondContact O-CA 3.28Å; I227-L231 PolarHBondContact O-N 2.85Å; I227-L231 VanDerWaalsContact O-N 3.1Å; I227-R234 HydrophobicContact CB-CB 4.49Å; I227-R234 HydrophobicContact CG2-CB 4.28Å; I227-L241 HydrophobicContact CD1-CD1 4.09Å; I227-L241 HydrophobicContact CG1-CD1 4.04Å; I227-L263 HydrophobicContact CD1-CD1 4.12Å; I227-L263 HydrophobicContact CD1-CD2 3.73Å; I227-L263 HydrophobicContact CG2-CD1 3.99Å
228	N	94.8	Very high	95.8	Very high	77 Å²	77	53.4 Å²	53.4	41%	0.412	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-29.2	-176.3	-76.3	-15.3	0	0	0	113.9	V224 D230	V224-N228 VanDerWaalsContact CG1-ND2 3.34Å; V224-N228 WeakPolarHBondContact CG1-ND2 3.34Å; V224-N228 WeakPolarHBondContact O-CB 3.36Å; V224-N228 PolarHBondContact O-N 3.18Å; V224-N228 PolarHBondContact O-ND2 3.36Å; N228-D230 PolarHBondContact O-N 2.98Å
229	E	95.2	Very high	95.7	Very high	113 Å²	113	53.9 Å²	53.9	53%	0.528	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.2	179.8	-167.2	66.5	-160.2	0	0	113.4	K195 I227	K195-E229 HydrophobicContact CB-CG 4.16Å; K195-E229 HydrophobicContact CD-CB 4.37Å; K195-E229 HydrophobicContact CD-CG 4.27Å; K195-E229 WeakPolarHBondContact CD-OE2 3.27Å; K195-E229 IonicContact NZ-OE2 2.67Å; K195-E229 PolarHBondContact NZ-OE2 3.5Å; I227-E229 PolarHBondContact O-N 3.31Å
230	D	94.9	Very high	95.4	Very high	40 Å²	40	58 Å²	58	21%	0.214	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.8	70.1	168.9	-175.9	-11.5	0	0	0	108.9	I227 N228 V232 R233 R234	I227-D230 CarbonylContact O-C 3.31Å; I227-D230 VanDerWaalsContact O-C 3.31Å; I227-D230 PolarHBondContact O-N 3.12Å; N228-D230 PolarHBondContact O-N 2.98Å; D230-V232 PolarHBondContact O-N 3.42Å; D230-V232 VanDerWaalsContact O-N 3.08Å; D230-R233 PolarHBondContact O-N 2.81Å; D230-R233 VanDerWaalsContact O-N 3.08Å; D230-R233 PolarHBondContact OD1-N 2.9Å; D230-R233 VanDerWaalsContact OD1-N 3.1Å; D230-R233 WeakPolarHBondContact OD2-CB 3.46Å; D230-R233 WeakPolarHBondContact OD2-CD 3.37Å; D230-R233 VanDerWaalsContact OD2-CG 3.28Å; D230-R233 WeakPolarHBondContact OD2-CG 3.36Å; D230-R233 IonicContact OD2-CZ 3.81Å; D230-R233 IonicContact OD2-NE 3.71Å; D230-R233 IonicContact OD2-NH1 3.61Å; D230-R233 PolarHBondContact OD2-NH1 2.86Å; D230-R234 HydrophobicContact CB-CG 4.17Å; D230-R234 VanDerWaalsContact O-CB 3.23Å; D230-R234 WeakPolarHBondContact O-CB 3.27Å; D230-R234 VanDerWaalsContact O-CG 3.3Å; D230-R234 WeakPolarHBondContact O-CG 3.4Å; D230-R234 PolarHBondContact O-N 3.24Å
231	L	93.6	Very high	95.4	Very high	68 Å²	68	57.7 Å²	57.7	36%	0.356	27%	0.273	S	S	.	.	H	α-helix	trans	-50.2	-38.7	-175.9	179.5	63.2	0	0	0	112.3	I227 I235	I227-L231 HydrophobicContact CG2-CD1 3.81Å; I227-L231 VanDerWaalsContact O-CA 3.28Å; I227-L231 WeakPolarHBondContact O-CA 3.28Å; I227-L231 PolarHBondContact O-N 2.85Å; I227-L231 VanDerWaalsContact O-N 3.1Å; L231-I235 HydrophobicContact CD1-CB 4.33Å; L231-I235 HydrophobicContact CD1-CD1 4.27Å; L231-I235 WeakPolarHBondContact O-CB 3.42Å; L231-I235 VanDerWaalsContact O-CG2 3.25Å; L231-I235 WeakPolarHBondContact O-CG2 3.41Å; L231-I235 PolarHBondContact O-N 2.78Å
232	V	94	Very high	95.3	Very high	132 Å²	132	54.1 Å²	54.1	80%	0.8	26%	0.257	S	S	*	.	H	α-helix	trans	-65.4	-40.9	-177.2	-178.2	0	0	0	0	111.9	D230	D230-V232 PolarHBondContact O-N 3.42Å; D230-V232 VanDerWaalsContact O-N 3.08Å
233	R	95.1	Very high	95.2	Very high	176 Å²	176	54.9 Å²	54.9	66%	0.664	26%	0.261	S	S	*	.	H	α-helix	trans	-88.3	-28.2	176.8	-62.1	-168	-173.9	111.4	-9.6	113.8	D230 Q236	D230-R233 PolarHBondContact O-N 2.81Å; D230-R233 VanDerWaalsContact O-N 3.08Å; D230-R233 PolarHBondContact OD1-N 2.9Å; D230-R233 VanDerWaalsContact OD1-N 3.1Å; D230-R233 WeakPolarHBondContact OD2-CB 3.46Å; D230-R233 WeakPolarHBondContact OD2-CD 3.37Å; D230-R233 VanDerWaalsContact OD2-CG 3.28Å; D230-R233 WeakPolarHBondContact OD2-CG 3.36Å; D230-R233 IonicContact OD2-CZ 3.81Å; D230-R233 IonicContact OD2-NE 3.71Å; D230-R233 IonicContact OD2-NH1 3.61Å; D230-R233 PolarHBondContact OD2-NH1 2.86Å; R233-Q236 PolarHBondContact O-NE2 3.43Å
234	R	96	Very high	95.1	Very high	41 Å²	41	55.1 Å²	55.1	16%	0.155	26%	0.263	C	S	.	.	H	α-helix	trans	-93.3	-20.8	-169.3	-64.1	180	-175.8	-150.7	-4.7	114.1	K195 W226 I227 D230 Q236 Y237	K195-R234 PolarHBondContact O-NH1 2.86Å; K195-R234 PolarHBondContact O-NH2 2.57Å; W226-R234 VanDerWaalsContact CE2-NH1 3.33Å; W226-R234 HydrophobicContact CE3-CB 4.26Å; W226-R234 HydrophobicContact CE3-CG 4.31Å; W226-R234 HydrophobicContact CH2-CB 4.3Å; W226-R234 HydrophobicContact CH2-CG 3.89Å; W226-R234 HydrophobicContact CZ3-CB 3.72Å; W226-R234 HydrophobicContact CZ3-CG 3.76Å; W226-R234 WeakPolarHBondContact O-CD 3.48Å; W226-R234 PolarHBondContact O-NH1 3.32Å; I227-R234 HydrophobicContact CB-CB 4.49Å; I227-R234 HydrophobicContact CG2-CB 4.28Å; D230-R234 HydrophobicContact CB-CG 4.17Å; D230-R234 VanDerWaalsContact O-CB 3.23Å; D230-R234 WeakPolarHBondContact O-CB 3.27Å; D230-R234 VanDerWaalsContact O-CG 3.3Å; D230-R234 WeakPolarHBondContact O-CG 3.4Å; D230-R234 PolarHBondContact O-N 3.24Å; R234-Q236 PolarHBondContact O-N 3.39Å; R234-Q236 VanDerWaalsContact O-N 3.12Å; R234-Y237 PolarHBondContact O-N 2.98Å
235	I	94.4	Very high	95	Very high	50 Å²	50	54.9 Å²	54.9	26%	0.256	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-54.8	-32.1	178.6	-171.9	61.5	0	0	0	113.4	L231 Y237 S238 L263 M266	L231-I235 HydrophobicContact CD1-CB 4.33Å; L231-I235 HydrophobicContact CD1-CD1 4.27Å; L231-I235 WeakPolarHBondContact O-CB 3.42Å; L231-I235 VanDerWaalsContact O-CG2 3.25Å; L231-I235 WeakPolarHBondContact O-CG2 3.41Å; L231-I235 PolarHBondContact O-N 2.78Å; I235-Y237 PolarHBondContact O-N 2.87Å; I235-S238 VanDerWaalsContact O-CB 3.25Å; I235-S238 WeakPolarHBondContact O-CB 3.35Å; I235-S238 PolarHBondContact O-N 3.47Å; I235-S238 PolarHBondContact O-OG 3.14Å; I235-L263 HydrophobicContact CD1-CD1 3.47Å; I235-L263 VanDerWaalsContact CD1-CD1 3.47Å; I235-M266 HydrophobicContact CD1-CB 4.34Å; I235-M266 HydrophobicContact CD1-SD 4.21Å
236	Q	94	Very high	94.8	Very high	139 Å²	139	51.6 Å²	51.6	65%	0.65	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-61.8	-23.5	178.3	70.9	-171.7	-45.9	0	0	114	R233 R234	R233-Q236 PolarHBondContact O-NE2 3.43Å; R234-Q236 PolarHBondContact O-N 3.39Å; R234-Q236 VanDerWaalsContact O-N 3.12Å
237	Y	95.7	Very high	94.6	Very high	81 Å²	81	51.3 Å²	51.3	32%	0.318	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-93.8	-3.6	178.9	-52.6	-63.1	0	0	0	113.2	V199 W226 R234 I235 M239 E240 L241	V199-Y237 HydrophobicContact CB-CD1 4.31Å; V199-Y237 HydrophobicContact CB-CD2 4.35Å; V199-Y237 HydrophobicContact CB-CG 4.17Å; V199-Y237 HydrophobicContact CG1-CD1 4.1Å; V199-Y237 HydrophobicContact CG1-CE1 4.02Å; V199-Y237 HydrophobicContact CG1-CG 4.42Å; V199-Y237 HydrophobicContact CG2-CD1 3.84Å; V199-Y237 HydrophobicContact CG2-CD2 4.31Å; V199-Y237 HydrophobicContact CG2-CG 3.69Å; W226-Y237 HydrophobicContact CH2-CD2 4.07Å; W226-Y237 HydrophobicContact CZ3-CD2 4.27Å; R234-Y237 PolarHBondContact O-N 2.98Å; I235-Y237 PolarHBondContact O-N 2.87Å; Y237-M239 VanDerWaalsContact C-N 3.35Å; Y237-M239 PolarHBondContact O-N 3.36Å; Y237-E240 PolarHBondContact O-N 3.29Å; Y237-E240 VanDerWaalsContact O-N 3.13Å; Y237-L241 PolarHBondContact O-N 2.94Å
238	S	94.6	Very high	94.1	Very high	2 Å²	2	53 Å²	53	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-41.5	-171.6	57.4	0	0	0	0	113.2	I235 E240 L241 L242 N267	I235-S238 VanDerWaalsContact O-CB 3.25Å; I235-S238 WeakPolarHBondContact O-CB 3.35Å; I235-S238 PolarHBondContact O-N 3.47Å; I235-S238 PolarHBondContact O-OG 3.14Å; S238-E240 PolarHBondContact O-N 2.88Å; S238-L241 PolarHBondContact O-N 3.14Å; S238-L242 WeakPolarHBondContact O-CB 3.04Å; S238-L242 WeakPolarHBondContact O-CD1 3.31Å; S238-L242 WeakPolarHBondContact O-CG 3.44Å; S238-L242 PolarHBondContact O-N 3.31Å; S238-N267 PolarHBondContact OG-ND2 3.34Å; S238-N267 PolarHBondContact OG-OD1 3.03Å
239	M	93.8	Very high	93.9	Very high	42 Å²	42	52.2 Å²	52.2	21%	0.207	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-46	175.1	-74.3	-63.4	-65.3	0	0	112.7	Y237 L242 L243 N267 E269	Y237-M239 VanDerWaalsContact C-N 3.35Å; Y237-M239 PolarHBondContact O-N 3.36Å; M239-L242 PolarHBondContact O-N 3.21Å; M239-L243 WeakPolarHBondContact O-CD1 3.45Å; M239-L243 WeakPolarHBondContact O-CG 3.49Å; M239-L243 PolarHBondContact O-N 2.95Å; M239-L243 VanDerWaalsContact O-N 3.09Å; M239-N267 WeakPolarHBondContact CG-OD1 3.26Å; M239-N267 HydrophobicContact SD-CB 4.03Å; M239-N267 PolarHBondContact SD-OD1 2.67Å; M239-E269 HydrophobicContact CE-CB 3.88Å; M239-E269 HydrophobicContact CE-CG 3.95Å
240	E	92.8	Very high	93.7	Very high	86 Å²	86	47.6 Å²	47.6	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-43.8	-177.6	-165.2	-176.5	148.2	0	0	111.6	C203 Y237 S238 L243 C244	C203-E240 PolarHBondContact SG-OE1 3.01Å; Y237-E240 PolarHBondContact O-N 3.29Å; Y237-E240 VanDerWaalsContact O-N 3.13Å; S238-E240 PolarHBondContact O-N 2.88Å; E240-L243 PolarHBondContact O-N 3.26Å; E240-C244 PolarHBondContact O-SG 2.97Å; E240-C244 VanDerWaalsContact O-SG 3.4Å
241	L	95.9	Very high	93.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-40.7	177.8	-66.7	171	0	0	0	112.4	L202 C203 L206 V223 W226 I227 Y237 S238 L243 C244	L202-L241 HydrophobicContact CB-CD2 4.26Å; L202-L241 HydrophobicContact CD2-CD1 4.04Å; L202-L241 HydrophobicContact CD2-CD2 3.51Å; L202-L241 HydrophobicContact CD2-CG 4.44Å; L202-L241 HydrophobicContact CG-CD2 3.64Å; C203-L241 VanDerWaalsContact SG-CD2 3.55Å; L206-L241 HydrophobicContact CD1-CD2 4.05Å; V223-L241 HydrophobicContact CG1-CB 3.7Å; V223-L241 HydrophobicContact CG2-CB 4.02Å; W226-L241 HydrophobicContact CE3-CD1 3.64Å; W226-L241 HydrophobicContact CZ3-CD1 3.68Å; I227-L241 HydrophobicContact CD1-CD1 4.09Å; I227-L241 HydrophobicContact CG1-CD1 4.04Å; Y237-L241 PolarHBondContact O-N 2.94Å; S238-L241 PolarHBondContact O-N 3.14Å; L241-L243 VanDerWaalsContact C-N 3.28Å; L241-L243 PolarHBondContact O-N 2.82Å; L241-C244 VanDerWaalsContact O-CB 3.26Å; L241-C244 WeakPolarHBondContact O-CB 3.25Å; L241-C244 PolarHBondContact O-N 3.15Å; L241-C244 VanDerWaalsContact O-N 3.15Å
242	L	96	Very high	93.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-27	176.9	-71.5	170.2	0	0	0	112.6	F220 V223 S238 M239 C244 I245 I264 Y270	F220-L242 HydrophobicContact CD2-CD2 4.16Å; F220-L242 HydrophobicContact CE2-CD2 4.2Å; V223-L242 HydrophobicContact CG1-CD2 4.13Å; V223-L242 HydrophobicContact CG1-CG 4.37Å; S238-L242 WeakPolarHBondContact O-CB 3.04Å; S238-L242 WeakPolarHBondContact O-CD1 3.31Å; S238-L242 WeakPolarHBondContact O-CG 3.44Å; S238-L242 PolarHBondContact O-N 3.31Å; M239-L242 PolarHBondContact O-N 3.21Å; L242-C244 PolarHBondContact O-N 2.87Å; L242-I245 HydrophobicContact CD2-CD1 3.9Å; L242-I245 PolarHBondContact O-N 3.31Å; L242-I264 HydrophobicContact CD1-CD1 3.55Å; L242-I264 HydrophobicContact CD2-CD1 3.63Å; L242-I264 HydrophobicContact CG-CD1 4.25Å; L242-Y270 HydrophobicContact CB-CD1 4.41Å; L242-Y270 HydrophobicContact CB-CD2 3.84Å; L242-Y270 HydrophobicContact CB-CE1 4.14Å; L242-Y270 HydrophobicContact CB-CE2 3.55Å; L242-Y270 HydrophobicContact CB-CG 4.25Å; L242-Y270 HydrophobicContact CD1-CD1 4.23Å; L242-Y270 HydrophobicContact CD1-CG 4.26Å; L242-Y270 HydrophobicContact CD2-CE1 4.33Å; L242-Y270 VanDerWaalsContact O-CE2 3.23Å; L242-Y270 WeakPolarHBondContact O-CE2 3.16Å; L242-Y270 VanDerWaalsContact O-CZ 3.32Å; L242-Y270 PolarHBondContact O-OH 3.12Å
243	L	94.3	Very high	93.3	Very high	17 Å²	17	48.9 Å²	48.9	9%	0.089	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.2	173.8	-70.7	169.2	0	0	0	113.8	M239 E240 L241 I245 Y270 I288 Y292 F296	M239-L243 WeakPolarHBondContact O-CD1 3.45Å; M239-L243 WeakPolarHBondContact O-CG 3.49Å; M239-L243 PolarHBondContact O-N 2.95Å; M239-L243 VanDerWaalsContact O-N 3.09Å; E240-L243 PolarHBondContact O-N 3.26Å; L241-L243 VanDerWaalsContact C-N 3.28Å; L241-L243 PolarHBondContact O-N 2.82Å; L243-I245 VanDerWaalsContact C-N 3.3Å; L243-I245 PolarHBondContact O-N 3.33Å; L243-Y270 HydrophobicContact CD2-CE2 4.46Å; L243-I288 HydrophobicContact CD2-CG2 3.49Å; L243-I288 VanDerWaalsContact CD2-CG2 3.49Å; L243-Y292 HydrophobicContact CB-CD1 4.19Å; L243-Y292 HydrophobicContact CB-CE1 4.09Å; L243-Y292 HydrophobicContact CD1-CD2 4.36Å; L243-Y292 HydrophobicContact CD1-CE2 3.94Å; L243-Y292 HydrophobicContact CD2-CD2 4.3Å; L243-Y292 HydrophobicContact CD2-CG 4.42Å; L243-F296 HydrophobicContact CD2-CE1 4.13Å; L243-F296 HydrophobicContact CD2-CZ 3.65Å
244	C	94.8	Very high	93.3	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.034	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.5	176.1	-58.3	0	0	0	0	114	L206 H207 E240 L241 L242 R246	L206-C244 HydrophobicContact CB-CB 3.64Å; H207-C244 PolarHBondContact CE1-SG 2.91Å; H207-C244 PolarHBondContact ND1-SG 2.95Å; E240-C244 PolarHBondContact O-SG 2.97Å; E240-C244 VanDerWaalsContact O-SG 3.4Å; L241-C244 VanDerWaalsContact O-CB 3.26Å; L241-C244 WeakPolarHBondContact O-CB 3.25Å; L241-C244 PolarHBondContact O-N 3.15Å; L241-C244 VanDerWaalsContact O-N 3.15Å; L242-C244 PolarHBondContact O-N 2.87Å; C244-R246 PolarHBondContact O-NH1 2.74Å
245	I	95.9	Very high	93.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-88.8	128.3	-169.6	-58.2	168.6	0	0	0	111.2	E216 V219 F220 L242 L243 L247 L250 F296	E216-I245 HydrophobicContact CG-CG2 3.97Å; V219-I245 HydrophobicContact CG1-CG1 4.16Å; F220-I245 HydrophobicContact CB-CD1 3.99Å; F220-I245 HydrophobicContact CD2-CD1 4Å; L242-I245 HydrophobicContact CD2-CD1 3.9Å; L242-I245 PolarHBondContact O-N 3.31Å; L243-I245 VanDerWaalsContact C-N 3.3Å; L243-I245 PolarHBondContact O-N 3.33Å; I245-L247 HydrophobicContact CG2-CD2 4.41Å; I245-L247 PolarHBondContact O-N 2.97Å; I245-L250 HydrophobicContact CG2-CD1 3.99Å; I245-F296 WeakPolarHBondContact O-CD1 3.34Å
246	R	91.8	Very high	93.3	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.019	22%	0.219	C	C	.	.			trans	-72.6	85.9	171.5	-72.4	147.7	-171.2	69.4	1.4	112.3	D209 E216 C244 G248 M249 R295 F296 T298 R300	D209-R246 IonicContact OD1-CZ 2.62Å; D209-R246 IonicContact OD1-NE 2.91Å; D209-R246 IonicContact OD1-NH2 2.79Å; D209-R246 PolarHBondContact OD1-NH2 3.13Å; E216-R246 HydrophobicContact CG-CB 3.82Å; E216-R246 PolarHBondContact OE1-N 3.23Å; E216-R246 IonicContact OE1-NH1 2.64Å; E216-R246 PolarHBondContact OE1-NH1 3.33Å; C244-R246 PolarHBondContact O-NH1 2.74Å; R246-G248 PolarHBondContact O-N 3.33Å; R246-M249 HydrophobicContact CB-CB 4.01Å; R246-M249 HydrophobicContact CB-CG 3.67Å; R246-M249 HydrophobicContact CG-CG 4.42Å; R246-M249 PolarHBondContact O-N 2.62Å; R246-R295 WeakPolarHBondContact CG-O 3.24Å; R246-F296 CarbonylContact C-O 3.53Å; R246-T298 WeakPolarHBondContact CD-O 3.41Å; R246-T298 VanDerWaalsContact CG-O 3.28Å; R246-T298 WeakPolarHBondContact CG-O 3.5Å; R246-T298 PolarHBondContact NE-O 3.05Å; R246-R300 VanDerWaalsContact NH1-NE 3.18Å
247	L	92.2	Very high	93.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-54.3	-23.9	175.3	-61.3	-179.2	0	0	0	114.4	I245 M249 L250 L255 L273 L274 W277 F296	I245-L247 HydrophobicContact CG2-CD2 4.41Å; I245-L247 PolarHBondContact O-N 2.97Å; L247-M249 VanDerWaalsContact C-N 3.34Å; L247-L250 HydrophobicContact CD2-CD1 4.32Å; L247-L255 HydrophobicContact CD2-CD2 3.99Å; L247-L273 HydrophobicContact CD1-CD2 3.9Å; L247-L273 HydrophobicContact CD1-CG 4.13Å; L247-L274 HydrophobicContact CD1-CD2 4.17Å; L247-L274 HydrophobicContact CD2-CD2 3.61Å; L247-W277 HydrophobicContact CB-CD2 3.88Å; L247-W277 HydrophobicContact CB-CE3 4.06Å; L247-W277 HydrophobicContact CB-CH2 3.83Å; L247-W277 HydrophobicContact CB-CZ2 3.61Å; L247-W277 HydrophobicContact CB-CZ3 4.03Å; L247-W277 HydrophobicContact CD1-CD2 4.19Å; L247-W277 HydrophobicContact CD1-CE3 3.81Å; L247-W277 HydrophobicContact CD1-CZ3 4.08Å; L247-W277 PolarHBondContact O-NE1 3.03Å; L247-F296 HydrophobicContact CB-CB 4.41Å; L247-F296 HydrophobicContact CD1-CD1 4.4Å; L247-F296 HydrophobicContact CD1-CD2 4.47Å; L247-F296 HydrophobicContact CD1-CG 4.38Å; L247-F296 HydrophobicContact CG-CD1 4.34Å; L247-F296 PolarHBondContact N-O 2.9Å
248	G	86.9	Confident	93.4	Very high	37 Å²	37	35.4 Å²	35.4	38%	0.381	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-81.1	-6.5	174.8	0	0	0	0	0	115.3	R246 F296	R246-G248 PolarHBondContact O-N 3.33Å; G248-F296 WeakPolarHBondContact CA-O 3.34Å; G248-F296 PolarHBondContact N-O 3.45Å
249	M	89.6	Confident	93.5	Very high	60 Å²	60	37.2 Å²	37.2	30%	0.296	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-103.2	0.4	175.6	-60.4	-57.1	-63.1	0	0	112.9	E216 R246 L247 P299 V328	E216-M249 HydrophobicContact CB-CB 4.02Å; R246-M249 HydrophobicContact CB-CB 4.01Å; R246-M249 HydrophobicContact CB-CG 3.67Å; R246-M249 HydrophobicContact CG-CG 4.42Å; R246-M249 PolarHBondContact O-N 2.62Å; L247-M249 VanDerWaalsContact C-N 3.34Å; M249-P299 HydrophobicContact CE-CB 3.98Å; M249-P299 HydrophobicContact CE-CG 4.41Å; M249-P299 HydrophobicContact SD-CB 3.73Å; M249-P299 HydrophobicContact SD-CG 3.75Å; M249-V328 HydrophobicContact CE-CG1 3.98Å
250	L	91.8	Very high	93.6	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.079	22%	0.224	C	C	.	.	S	Bend	trans	-99.6	144.1	176.6	-65.3	169.9	0	0	0	110.8	E216 L217 I245 L247 E254 L255 I258	E216-L250 HydrophobicContact CB-CD2 4.26Å; L217-L250 HydrophobicContact CB-CD2 3.99Å; L217-L250 HydrophobicContact CD1-CD2 4.48Å; I245-L250 HydrophobicContact CG2-CD1 3.99Å; L247-L250 HydrophobicContact CD2-CD1 4.32Å; L250-E254 HydrophobicContact CD2-CB 4.45Å; L250-L255 HydrophobicContact CB-CD1 4.42Å; L250-L255 HydrophobicContact CB-CD2 3.98Å; L250-L255 HydrophobicContact CB-CG 3.85Å; L250-L255 HydrophobicContact CD1-CD2 3.77Å; L250-L255 HydrophobicContact CD1-CG 4.48Å; L250-I258 HydrophobicContact CD1-CD1 3.65Å; L250-I258 HydrophobicContact CD2-CD1 4.46Å
251	T	90.5	Very high	93.8	Very high	73 Å²	73	40.6 Å²	40.6	45%	0.448	22%	0.219	S	C	.	.			trans	-74.2	161.6	172.5	67.2	0	0	0	0	111.7	N253 E254 L255	T251-N253 PolarHBondContact O-N 2.78Å; T251-E254 VanDerWaalsContact CB-OE2 3.25Å; T251-E254 WeakPolarHBondContact CB-OE2 3.44Å; T251-E254 VanDerWaalsContact CG2-OE2 3.31Å; T251-E254 WeakPolarHBondContact CG2-OE2 3.34Å; T251-E254 PolarHBondContact N-OE2 3.03Å; T251-E254 PolarHBondContact O-N 2.98Å; T251-E254 WeakPolarHBondContact OG1-CG 3.49Å; T251-E254 PolarHBondContact OG1-N 3.02Å; T251-E254 PolarHBondContact OG1-OE2 2.75Å; T251-L255 WeakPolarHBondContact O-CG 3.46Å; T251-L255 PolarHBondContact O-N 3.47Å
252	T	90.2	Very high	93.8	Very high	93 Å²	93	46.2 Å²	46.2	57%	0.571	25%	0.249	S	C	*	.	H	α-helix	trans	-57.4	-37.1	176.6	-46.6	0	0	0	0	112.5	L255 D256	T252-L255 PolarHBondContact O-N 3Å; T252-D256 WeakPolarHBondContact O-CB 3.36Å; T252-D256 PolarHBondContact O-N 3.23Å
253	N	93.5	Very high	93.7	Very high	101 Å²	101	46.5 Å²	46.5	54%	0.54	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-48.4	178.6	-65.1	-5.2	0	0	0	111.2	T251 L255 D256 D257	T251-N253 PolarHBondContact O-N 2.78Å; N253-L255 VanDerWaalsContact C-N 3.34Å; N253-L255 PolarHBondContact O-N 3.3Å; N253-D256 CarbonylContact O-C 3.58Å; N253-D256 PolarHBondContact O-N 3.42Å; N253-D256 VanDerWaalsContact O-N 3.12Å; N253-D257 PolarHBondContact O-N 2.95Å
254	E	95.4	Very high	93.7	Very high	28 Å²	28	45.7 Å²	45.7	13%	0.131	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-41	177.9	-67.4	164.1	107	0	0	111.7	H215 L217 L250 T251 D256 D257 I258	H215-E254 IonicContact CE1-OE1 2.73Å; H215-E254 PolarHBondContact CE1-OE1 3.01Å; H215-E254 IonicContact CE1-OE2 3.43Å; H215-E254 IonicContact ND1-OE1 3.13Å; H215-E254 PolarHBondContact ND1-OE1 3.01Å; L217-E254 WeakPolarHBondContact CB-OE1 3.44Å; L217-E254 HydrophobicContact CD1-CB 4.48Å; L217-E254 HydrophobicContact CD2-CG 4.27Å; L217-E254 WeakPolarHBondContact CD2-OE1 3.44Å; L250-E254 HydrophobicContact CD2-CB 4.45Å; T251-E254 VanDerWaalsContact CB-OE2 3.25Å; T251-E254 WeakPolarHBondContact CB-OE2 3.44Å; T251-E254 VanDerWaalsContact CG2-OE2 3.31Å; T251-E254 WeakPolarHBondContact CG2-OE2 3.34Å; T251-E254 PolarHBondContact N-OE2 3.03Å; T251-E254 PolarHBondContact O-N 2.98Å; T251-E254 WeakPolarHBondContact OG1-CG 3.49Å; T251-E254 PolarHBondContact OG1-N 3.02Å; T251-E254 PolarHBondContact OG1-OE2 2.75Å; E254-D256 VanDerWaalsContact C-N 3.3Å; E254-D256 PolarHBondContact O-N 2.94Å; E254-D257 PolarHBondContact O-N 3.47Å; E254-I258 WeakPolarHBondContact O-CB 3.26Å; E254-I258 WeakPolarHBondContact O-CD1 3.45Å; E254-I258 WeakPolarHBondContact O-CG1 3.38Å; E254-I258 PolarHBondContact O-N 3.07Å
255	L	95	Very high	93.7	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-37.7	173.7	-70.7	167.7	0	0	0	112	L247 L250 T251 T252 N253 K259 L274	L247-L255 HydrophobicContact CD2-CD2 3.99Å; L250-L255 HydrophobicContact CB-CD1 4.42Å; L250-L255 HydrophobicContact CB-CD2 3.98Å; L250-L255 HydrophobicContact CB-CG 3.85Å; L250-L255 HydrophobicContact CD1-CD2 3.77Å; L250-L255 HydrophobicContact CD1-CG 4.48Å; T251-L255 WeakPolarHBondContact O-CG 3.46Å; T251-L255 PolarHBondContact O-N 3.47Å; T252-L255 PolarHBondContact O-N 3Å; N253-L255 VanDerWaalsContact C-N 3.34Å; N253-L255 PolarHBondContact O-N 3.3Å; L255-K259 WeakPolarHBondContact O-CD 3.42Å; L255-K259 WeakPolarHBondContact O-CE 3.25Å; L255-K259 WeakPolarHBondContact O-CG 3.26Å; L255-K259 PolarHBondContact O-N 3.43Å; L255-L274 HydrophobicContact CD2-CD2 3.99Å
256	D	95.1	Very high	93.6	Very high	65 Å²	65	55.3 Å²	55.3	35%	0.348	29%	0.292	S	S	.	.	H	α-helix	trans	-73.4	-27.5	175.9	-78.1	-12.4	0	0	0	113	T252 N253 E254 K259 K260	T252-D256 WeakPolarHBondContact O-CB 3.36Å; T252-D256 PolarHBondContact O-N 3.23Å; N253-D256 CarbonylContact O-C 3.58Å; N253-D256 PolarHBondContact O-N 3.42Å; N253-D256 VanDerWaalsContact O-N 3.12Å; E254-D256 VanDerWaalsContact C-N 3.3Å; E254-D256 PolarHBondContact O-N 2.94Å; D256-K259 IonicContact OD1-NZ 3.86Å; D256-K259 PolarHBondContact OD1-NZ 3.34Å; D256-K260 WeakPolarHBondContact O-CD 3.19Å; D256-K260 WeakPolarHBondContact O-CE 3.47Å; D256-K260 WeakPolarHBondContact O-CG 3.16Å; D256-K260 PolarHBondContact O-NZ 2.82Å
257	D	95.7	Very high	93.6	Very high	95 Å²	95	55.8 Å²	55.8	51%	0.508	30%	0.295	S	S	.	.	H	α-helix	trans	-78.5	-40.9	172.3	-72.3	-31.3	0	0	0	112.3	N253 E254 K259 K260 H261	N253-D257 PolarHBondContact O-N 2.95Å; E254-D257 PolarHBondContact O-N 3.47Å; D257-K259 VanDerWaalsContact C-N 3.31Å; D257-K259 PolarHBondContact O-N 3.38Å; D257-K260 WeakPolarHBondContact O-CB 3.34Å; D257-K260 PolarHBondContact O-N 2.91Å; D257-K260 IonicContact OD1-NZ 3.55Å; D257-K260 PolarHBondContact OD1-NZ 2.9Å; D257-H261 PolarHBondContact O-N 3.12Å
258	I	96.8	Very high	93.6	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-56.6	-44.1	171.2	-72.5	163.8	0	0	0	110.6	L217 F220 L250 E254 K260 H261 I264 L274	L217-I258 HydrophobicContact CD1-CD1 3.94Å; L217-I258 HydrophobicContact CD1-CG1 4.27Å; F220-I258 HydrophobicContact CB-CD1 4.47Å; F220-I258 HydrophobicContact CD1-CD1 4.29Å; F220-I258 HydrophobicContact CD1-CG1 3.85Å; F220-I258 HydrophobicContact CD2-CG1 4.28Å; F220-I258 HydrophobicContact CD2-CG2 4.22Å; F220-I258 HydrophobicContact CE1-CG1 3.84Å; F220-I258 HydrophobicContact CE2-CG1 4.28Å; F220-I258 HydrophobicContact CE2-CG2 3.88Å; F220-I258 HydrophobicContact CG-CD1 4.16Å; F220-I258 HydrophobicContact CG-CG1 4.07Å; F220-I258 HydrophobicContact CZ-CB 4.46Å; F220-I258 HydrophobicContact CZ-CG1 4.06Å; F220-I258 HydrophobicContact CZ-CG2 4.17Å; L250-I258 HydrophobicContact CD1-CD1 3.65Å; L250-I258 HydrophobicContact CD2-CD1 4.46Å; E254-I258 WeakPolarHBondContact O-CB 3.26Å; E254-I258 WeakPolarHBondContact O-CD1 3.45Å; E254-I258 WeakPolarHBondContact O-CG1 3.38Å; E254-I258 PolarHBondContact O-N 3.07Å; I258-K260 PolarHBondContact O-N 3.38Å; I258-K260 VanDerWaalsContact O-N 3.15Å; I258-H261 WeakPolarHBondContact O-CB 3.17Å; I258-H261 PolarHBondContact O-N 3.12Å; I258-H261 VanDerWaalsContact O-N 3.08Å; I258-I264 HydrophobicContact CG2-CD1 4.38Å; I258-I264 HydrophobicContact CG2-CG1 3.94Å; I258-I264 WeakPolarHBondContact O-CB 3.37Å; I258-I264 VanDerWaalsContact O-CG1 3.24Å; I258-I264 WeakPolarHBondContact O-CG1 3.27Å; I258-L274 HydrophobicContact CG2-CD1 3.9Å
259	K	96.6	Very high	93.8	Very high	39 Å²	39	64.1 Å²	64.1	17%	0.17	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.4	175.1	-76.5	166.8	-152.5	168.7	0	113.5	L255 D256 D257 Q265 L271 L274	L255-K259 WeakPolarHBondContact O-CD 3.42Å; L255-K259 WeakPolarHBondContact O-CE 3.25Å; L255-K259 WeakPolarHBondContact O-CG 3.26Å; L255-K259 PolarHBondContact O-N 3.43Å; D256-K259 IonicContact OD1-NZ 3.86Å; D256-K259 PolarHBondContact OD1-NZ 3.34Å; D257-K259 VanDerWaalsContact C-N 3.31Å; D257-K259 PolarHBondContact O-N 3.38Å; K259-Q265 PolarHBondContact O-NE2 2.91Å; K259-L271 HydrophobicContact CB-CD1 4.18Å; K259-L271 HydrophobicContact CG-CD1 4.09Å; K259-L274 HydrophobicContact CD-CB 4.38Å; K259-L274 VanDerWaalsContact CE-O 3.3Å; K259-L274 WeakPolarHBondContact CE-O 3.48Å; K259-L274 HydrophobicContact CG-CB 3.85Å; K259-L274 HydrophobicContact CG-CD1 3.93Å
260	K	96	Very high	94	Very high	133 Å²	133	61.3 Å²	61.3	58%	0.578	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.6	-178.3	-62.3	160	-161.3	150.6	0	113	D256 D257 I258	D256-K260 WeakPolarHBondContact O-CD 3.19Å; D256-K260 WeakPolarHBondContact O-CE 3.47Å; D256-K260 WeakPolarHBondContact O-CG 3.16Å; D256-K260 PolarHBondContact O-NZ 2.82Å; D257-K260 WeakPolarHBondContact O-CB 3.34Å; D257-K260 PolarHBondContact O-N 2.91Å; D257-K260 IonicContact OD1-NZ 3.55Å; D257-K260 PolarHBondContact OD1-NZ 2.9Å; I258-K260 PolarHBondContact O-N 3.38Å; I258-K260 VanDerWaalsContact O-N 3.15Å
261	H	96.6	Very high	94.1	Very high	67 Å²	67	62 Å²	62	31%	0.31	32%	0.322	S	S	.	.	S	Bend	trans	-70	137.5	-173.1	-167.6	-89.5	0	0	0	112	F220 D257 I258 L263 I264 Q265	F220-H261 HydrophobicContact CZ-CB 4.1Å; F220-H261 AromaticContact CZ-CG 3.91Å; D257-H261 PolarHBondContact O-N 3.12Å; I258-H261 WeakPolarHBondContact O-CB 3.17Å; I258-H261 PolarHBondContact O-N 3.12Å; I258-H261 VanDerWaalsContact O-N 3.08Å; H261-L263 VanDerWaalsContact C-N 3.3Å; H261-L263 WeakPolarHBondContact ND1-CB 3.46Å; H261-L263 PolarHBondContact ND1-N 2.8Å; H261-L263 PolarHBondContact O-N 3.01Å; H261-I264 HydrophobicContact CB-CG1 4.35Å; H261-I264 WeakPolarHBondContact O-CA 3.38Å; H261-I264 WeakPolarHBondContact O-CB 3.44Å; H261-I264 PolarHBondContact O-N 3.07Å; H261-Q265 PolarHBondContact O-N 2.79Å; H261-Q265 VanDerWaalsContact O-N 3.09Å
262	D	94.2	Very high	94.3	Very high	118 Å²	118	61.9 Å²	61.9	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-55.2	-41.9	-172.8	-68.3	-31.8	0	0	0	112.9	I264 Q265 M266	D262-I264 PolarHBondContact O-N 2.95Å; D262-Q265 WeakPolarHBondContact O-CB 3.5Å; D262-Q265 PolarHBondContact O-N 3.37Å; D262-Q265 VanDerWaalsContact O-N 3.13Å; D262-M266 HydrophobicContact CB-CE 4.49Å; D262-M266 WeakPolarHBondContact O-CG 3.28Å; D262-M266 PolarHBondContact O-N 3.34Å
263	L	94	Very high	94.3	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-55	-35.1	174.9	-178.1	64.3	0	0	0	113.3	V224 I227 I235 H261 N267	V224-L263 HydrophobicContact CG2-CD2 3.89Å; I227-L263 HydrophobicContact CD1-CD1 4.12Å; I227-L263 HydrophobicContact CD1-CD2 3.73Å; I227-L263 HydrophobicContact CG2-CD1 3.99Å; I235-L263 HydrophobicContact CD1-CD1 3.47Å; I235-L263 VanDerWaalsContact CD1-CD1 3.47Å; H261-L263 VanDerWaalsContact C-N 3.3Å; H261-L263 WeakPolarHBondContact ND1-CB 3.46Å; H261-L263 PolarHBondContact ND1-N 2.8Å; H261-L263 PolarHBondContact O-N 3.01Å; L263-N267 PolarHBondContact O-ND2 3.15Å
264	I	96.2	Very high	94.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-81.8	-35.5	179.8	-58	-52	0	0	0	110.8	F220 L242 I258 H261 D262 M266 N267 Y270 L271 L274	F220-I264 HydrophobicContact CE2-CD1 4.09Å; F220-I264 HydrophobicContact CE2-CG1 4.19Å; L242-I264 HydrophobicContact CD1-CD1 3.55Å; L242-I264 HydrophobicContact CD2-CD1 3.63Å; L242-I264 HydrophobicContact CG-CD1 4.25Å; I258-I264 HydrophobicContact CG2-CD1 4.38Å; I258-I264 HydrophobicContact CG2-CG1 3.94Å; I258-I264 WeakPolarHBondContact O-CB 3.37Å; I258-I264 VanDerWaalsContact O-CG1 3.24Å; I258-I264 WeakPolarHBondContact O-CG1 3.27Å; H261-I264 HydrophobicContact CB-CG1 4.35Å; H261-I264 WeakPolarHBondContact O-CA 3.38Å; H261-I264 WeakPolarHBondContact O-CB 3.44Å; H261-I264 PolarHBondContact O-N 3.07Å; D262-I264 PolarHBondContact O-N 2.95Å; I264-M266 PolarHBondContact O-N 2.85Å; I264-N267 CarbonylContact O-C 3.47Å; I264-N267 PolarHBondContact O-N 3.25Å; I264-Y270 HydrophobicContact CD1-CD1 3.92Å; I264-Y270 HydrophobicContact CD1-CE1 4.12Å; I264-Y270 HydrophobicContact CG2-CD1 4.49Å; I264-L271 HydrophobicContact CG2-CB 4.19Å; I264-L271 HydrophobicContact CG2-CD1 4.15Å; I264-L274 HydrophobicContact CG2-CD1 3.72Å
265	Q	94.5	Very high	94.3	Very high	102 Å²	102	56.2 Å²	56.2	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-31.6	170.5	-65	-65.4	-47.2	0	0	112	K259 H261 D262 N267	K259-Q265 PolarHBondContact O-NE2 2.91Å; H261-Q265 PolarHBondContact O-N 2.79Å; H261-Q265 VanDerWaalsContact O-N 3.09Å; D262-Q265 WeakPolarHBondContact O-CB 3.5Å; D262-Q265 PolarHBondContact O-N 3.37Å; D262-Q265 VanDerWaalsContact O-N 3.13Å; Q265-N267 PolarHBondContact O-N 3.47Å
266	M	92.3	Very high	94	Very high	106 Å²	106	59.9 Å²	59.9	52%	0.522	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.6	171.4	-66.1	179	-165.6	0	0	114.3	I235 D262 I264 P268	I235-M266 HydrophobicContact CD1-CB 4.34Å; I235-M266 HydrophobicContact CD1-SD 4.21Å; D262-M266 HydrophobicContact CB-CE 4.49Å; D262-M266 WeakPolarHBondContact O-CG 3.28Å; D262-M266 PolarHBondContact O-N 3.34Å; I264-M266 PolarHBondContact O-N 2.85Å; M266-P268 WeakPolarHBondContact O-CD 3.46Å
267	N	92.4	Very high	93.7	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.08	29%	0.289	C	S	.	.			trans	-122.3	75.5	-177.9	-80.1	-75.5	0	0	0	112.6	S238 M239 L263 I264 Q265 E269 Y270 L271	S238-N267 PolarHBondContact OG-ND2 3.34Å; S238-N267 PolarHBondContact OG-OD1 3.03Å; M239-N267 WeakPolarHBondContact CG-OD1 3.26Å; M239-N267 HydrophobicContact SD-CB 4.03Å; M239-N267 PolarHBondContact SD-OD1 2.67Å; L263-N267 PolarHBondContact O-ND2 3.15Å; I264-N267 CarbonylContact O-C 3.47Å; I264-N267 PolarHBondContact O-N 3.25Å; Q265-N267 PolarHBondContact O-N 3.47Å; N267-E269 VanDerWaalsContact C-N 3.28Å; N267-E269 PolarHBondContact O-N 3.26Å; N267-E269 VanDerWaalsContact O-N 3.14Å; N267-Y270 PolarHBondContact O-N 2.75Å; N267-Y270 VanDerWaalsContact O-N 3.09Å; N267-L271 PolarHBondContact O-N 2.94Å
268	P	92.8	Very high	93.3	Very high	96 Å²	96	56.2 Å²	56.2	62%	0.623	28%	0.279	S	S	*	.	H	α-helix	trans	-56.2	-32.7	-174.6	-28.5	36.1	0	0	0	115.7	M266 L271 D272	M266-P268 WeakPolarHBondContact O-CD 3.46Å; P268-L271 PolarHBondContact O-N 3.43Å; P268-D272 WeakPolarHBondContact O-CB 3.37Å; P268-D272 PolarHBondContact O-N 3.15Å
269	E	90.7	Very high	92.7	Very high	118 Å²	118	61.4 Å²	61.4	55%	0.551	30%	0.301	S	S	*	.	H	α-helix	trans	-69.9	-39.4	178.3	-176.1	170.3	-152.6	0	0	112.1	M239 N267 D272 L273 I288	M239-E269 HydrophobicContact CE-CB 3.88Å; M239-E269 HydrophobicContact CE-CG 3.95Å; N267-E269 VanDerWaalsContact C-N 3.28Å; N267-E269 PolarHBondContact O-N 3.26Å; N267-E269 VanDerWaalsContact O-N 3.14Å; E269-D272 PolarHBondContact O-N 3.32Å; E269-L273 PolarHBondContact O-N 3.45Å; E269-I288 HydrophobicContact CG-CD1 3.85Å
270	Y	93.6	Very high	92	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-72.6	-36.4	173.7	-162.3	-94.8	0	0	0	111.7	L242 L243 I264 N267 D272 L273 L274	L242-Y270 HydrophobicContact CB-CD1 4.41Å; L242-Y270 HydrophobicContact CB-CD2 3.84Å; L242-Y270 HydrophobicContact CB-CE1 4.14Å; L242-Y270 HydrophobicContact CB-CE2 3.55Å; L242-Y270 HydrophobicContact CB-CG 4.25Å; L242-Y270 HydrophobicContact CD1-CD1 4.23Å; L242-Y270 HydrophobicContact CD1-CG 4.26Å; L242-Y270 HydrophobicContact CD2-CE1 4.33Å; L242-Y270 VanDerWaalsContact O-CE2 3.23Å; L242-Y270 WeakPolarHBondContact O-CE2 3.16Å; L242-Y270 VanDerWaalsContact O-CZ 3.32Å; L242-Y270 PolarHBondContact O-OH 3.12Å; L243-Y270 HydrophobicContact CD2-CE2 4.46Å; I264-Y270 HydrophobicContact CD1-CD1 3.92Å; I264-Y270 HydrophobicContact CD1-CE1 4.12Å; I264-Y270 HydrophobicContact CG2-CD1 4.49Å; N267-Y270 PolarHBondContact O-N 2.75Å; N267-Y270 VanDerWaalsContact O-N 3.09Å; Y270-D272 VanDerWaalsContact C-N 3.34Å; Y270-D272 PolarHBondContact O-N 3.04Å; Y270-L273 HydrophobicContact CD2-CD2 4.08Å; Y270-L273 HydrophobicContact CE2-CD2 4.07Å; Y270-L273 WeakPolarHBondContact O-CB 3.41Å; Y270-L273 PolarHBondContact O-N 3.43Å; Y270-L274 HydrophobicContact CD1-CD1 3.74Å; Y270-L274 HydrophobicContact CD1-CG 3.89Å; Y270-L274 HydrophobicContact CE1-CD1 3.74Å; Y270-L274 HydrophobicContact CE1-CD2 3.97Å; Y270-L274 HydrophobicContact CE1-CG 3.83Å; Y270-L274 WeakPolarHBondContact O-CG 3.43Å; Y270-L274 PolarHBondContact O-N 3.23Å
271	L	95	Very high	91.3	Very high	28 Å²	28	53.5 Å²	53.5	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-38.5	172.6	-178.9	55.8	0	0	0	111.8	K259 I264 N267 P268 L274 N275	K259-L271 HydrophobicContact CB-CD1 4.18Å; K259-L271 HydrophobicContact CG-CD1 4.09Å; I264-L271 HydrophobicContact CG2-CB 4.19Å; I264-L271 HydrophobicContact CG2-CD1 4.15Å; N267-L271 PolarHBondContact O-N 2.94Å; P268-L271 PolarHBondContact O-N 3.43Å; L271-L274 PolarHBondContact O-N 2.97Å; L271-N275 VanDerWaalsContact O-CB 3.28Å; L271-N275 WeakPolarHBondContact O-CB 3.31Å; L271-N275 PolarHBondContact O-N 3.47Å; L271-N275 PolarHBondContact O-ND2 3.26Å; L271-N275 VanDerWaalsContact O-ND2 3.11Å
272	D	92.8	Very high	90.3	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-33.8	171.5	176.4	48.7	0	0	0	112.6	P268 E269 Y270 R276	P268-D272 WeakPolarHBondContact O-CB 3.37Å; P268-D272 PolarHBondContact O-N 3.15Å; E269-D272 PolarHBondContact O-N 3.32Å; Y270-D272 VanDerWaalsContact C-N 3.34Å; Y270-D272 PolarHBondContact O-N 3.04Å; D272-R276 VanDerWaalsContact CG-CZ 3.43Å; D272-R276 VanDerWaalsContact CG-NH2 3.31Å; D272-R276 WeakPolarHBondContact O-CG 3.42Å; D272-R276 PolarHBondContact O-N 3.34Å; D272-R276 PolarHBondContact O-NE 3.45Å; D272-R276 PolarHBondContact O-NH2 3.41Å; D272-R276 WeakPolarHBondContact OD1-CD 3.3Å; D272-R276 IonicContact OD1-CZ 3.38Å; D272-R276 IonicContact OD1-NE 3.49Å; D272-R276 PolarHBondContact OD1-NE 3.45Å; D272-R276 VanDerWaalsContact OD1-NE 3.08Å; D272-R276 IonicContact OD1-NH2 2.69Å; D272-R276 IonicContact OD2-CZ 3.7Å; D272-R276 IonicContact OD2-NE 2.91Å; D272-R276 PolarHBondContact OD2-NE 3.41Å; D272-R276 IonicContact OD2-NH1 2.67Å; D272-R276 PolarHBondContact OD2-NH1 2.89Å; D272-R276 IonicContact OD2-NH2 2.59Å; D272-R276 PolarHBondContact OD2-NH2 3.12Å
273	L	91.8	Very high	89.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-53.2	168.2	175.5	66.1	0	0	0	111.2	L247 E269 Y270 N275 R276 W277 I288 I289 F296	L247-L273 HydrophobicContact CD1-CD2 3.9Å; L247-L273 HydrophobicContact CD1-CG 4.13Å; E269-L273 PolarHBondContact O-N 3.45Å; Y270-L273 HydrophobicContact CD2-CD2 4.08Å; Y270-L273 HydrophobicContact CE2-CD2 4.07Å; Y270-L273 WeakPolarHBondContact O-CB 3.41Å; Y270-L273 PolarHBondContact O-N 3.43Å; L273-N275 PolarHBondContact O-N 2.78Å; L273-R276 PolarHBondContact O-N 3.26Å; L273-W277 PolarHBondContact O-N 3.47Å; L273-I288 HydrophobicContact CD2-CG2 4.23Å; L273-I289 HydrophobicContact CD1-CD1 3.7Å; L273-F296 HydrophobicContact CD1-CE2 4.3Å; L273-F296 HydrophobicContact CD2-CE2 3.9Å; L273-F296 HydrophobicContact CD2-CZ 3.77Å
274	L	93.9	Very high	87.9	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-37.9	-179.8	-67.6	176.5	0	0	0	113.2	L247 L255 I258 K259 I264 Y270 L271 R276 W277	L247-L274 HydrophobicContact CD1-CD2 4.17Å; L247-L274 HydrophobicContact CD2-CD2 3.61Å; L255-L274 HydrophobicContact CD2-CD2 3.99Å; I258-L274 HydrophobicContact CG2-CD1 3.9Å; K259-L274 HydrophobicContact CD-CB 4.38Å; K259-L274 VanDerWaalsContact CE-O 3.3Å; K259-L274 WeakPolarHBondContact CE-O 3.48Å; K259-L274 HydrophobicContact CG-CB 3.85Å; K259-L274 HydrophobicContact CG-CD1 3.93Å; I264-L274 HydrophobicContact CG2-CD1 3.72Å; Y270-L274 HydrophobicContact CD1-CD1 3.74Å; Y270-L274 HydrophobicContact CD1-CG 3.89Å; Y270-L274 HydrophobicContact CE1-CD1 3.74Å; Y270-L274 HydrophobicContact CE1-CD2 3.97Å; Y270-L274 HydrophobicContact CE1-CG 3.83Å; Y270-L274 WeakPolarHBondContact O-CG 3.43Å; Y270-L274 PolarHBondContact O-N 3.23Å; L271-L274 PolarHBondContact O-N 2.97Å; L274-R276 VanDerWaalsContact C-N 3.28Å; L274-R276 PolarHBondContact O-N 3.44Å; L274-W277 WeakPolarHBondContact O-CB 3.17Å; L274-W277 PolarHBondContact O-N 3.43Å
275	N	93.6	Very high	86.8	Confident	102 Å²	102	62.8 Å²	62.8	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-69.7	-24.1	179.1	-76.8	-30.3	0	0	0	113.2	L271 L273	L271-N275 VanDerWaalsContact O-CB 3.28Å; L271-N275 WeakPolarHBondContact O-CB 3.31Å; L271-N275 PolarHBondContact O-N 3.47Å; L271-N275 PolarHBondContact O-ND2 3.26Å; L271-N275 VanDerWaalsContact O-ND2 3.11Å; L273-N275 PolarHBondContact O-N 2.78Å
276	R	90.5	Very high	86	Confident	89 Å²	89	59 Å²	59	34%	0.336	32%	0.317	S	S	.	.	H	α-helix	trans	-99.5	-1.1	174.7	-63.8	173.5	-61.4	169.3	-1.2	113	D272 L273 L274 P278 K279 C280 N286	D272-R276 VanDerWaalsContact CG-CZ 3.43Å; D272-R276 VanDerWaalsContact CG-NH2 3.31Å; D272-R276 WeakPolarHBondContact O-CG 3.42Å; D272-R276 PolarHBondContact O-N 3.34Å; D272-R276 PolarHBondContact O-NE 3.45Å; D272-R276 PolarHBondContact O-NH2 3.41Å; D272-R276 WeakPolarHBondContact OD1-CD 3.3Å; D272-R276 IonicContact OD1-CZ 3.38Å; D272-R276 IonicContact OD1-NE 3.49Å; D272-R276 PolarHBondContact OD1-NE 3.45Å; D272-R276 VanDerWaalsContact OD1-NE 3.08Å; D272-R276 IonicContact OD1-NH2 2.69Å; D272-R276 IonicContact OD2-CZ 3.7Å; D272-R276 IonicContact OD2-NE 2.91Å; D272-R276 PolarHBondContact OD2-NE 3.41Å; D272-R276 IonicContact OD2-NH1 2.67Å; D272-R276 PolarHBondContact OD2-NH1 2.89Å; D272-R276 IonicContact OD2-NH2 2.59Å; D272-R276 PolarHBondContact OD2-NH2 3.12Å; L273-R276 PolarHBondContact O-N 3.26Å; L274-R276 VanDerWaalsContact C-N 3.28Å; L274-R276 PolarHBondContact O-N 3.44Å; R276-P278 CarbonylContact O-C 3.57Å; R276-K279 CarbonylContact O-C 3.58Å; R276-K279 WeakPolarHBondContact O-CA 3.39Å; R276-K279 WeakPolarHBondContact O-CB 3.48Å; R276-K279 PolarHBondContact O-N 3Å; R276-C280 HydrophobicContact CB-CB 3.85Å; R276-C280 PolarHBondContact O-N 3.33Å; R276-N286 PolarHBondContact NH2-ND2 3.39Å
277	W	88.7	Confident	85.6	Confident	39 Å²	39	64.5 Å²	64.5	15%	0.148	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	142.1	-179.9	-173.2	-99.3	0	0	0	111.9	L247 L273 L274 L281 F296 V297	L247-W277 HydrophobicContact CB-CD2 3.88Å; L247-W277 HydrophobicContact CB-CE3 4.06Å; L247-W277 HydrophobicContact CB-CH2 3.83Å; L247-W277 HydrophobicContact CB-CZ2 3.61Å; L247-W277 HydrophobicContact CB-CZ3 4.03Å; L247-W277 HydrophobicContact CD1-CD2 4.19Å; L247-W277 HydrophobicContact CD1-CE3 3.81Å; L247-W277 HydrophobicContact CD1-CZ3 4.08Å; L247-W277 PolarHBondContact O-NE1 3.03Å; L273-W277 PolarHBondContact O-N 3.47Å; L274-W277 WeakPolarHBondContact O-CB 3.17Å; L274-W277 PolarHBondContact O-N 3.43Å; W277-L281 HydrophobicContact CH2-CD1 3.74Å; W277-L281 HydrophobicContact CH2-CD2 3.9Å; W277-L281 HydrophobicContact CH2-CG 4Å; W277-L281 HydrophobicContact CZ2-CD1 4.24Å; W277-L281 HydrophobicContact CZ3-CD1 4.08Å; W277-L281 HydrophobicContact CZ3-CD2 3.74Å; W277-L281 HydrophobicContact CZ3-CG 3.83Å; W277-F296 HydrophobicContact CH2-CB 3.59Å; W277-F296 HydrophobicContact CH2-CD2 4.43Å; W277-F296 HydrophobicContact CH2-CG 4.4Å; W277-F296 HydrophobicContact CZ3-CB 3.93Å; W277-F296 AromaticContact CZ3-CD2 3.9Å; W277-F296 HydrophobicContact CZ3-CD2 3.9Å; W277-F296 HydrophobicContact CZ3-CG 4.26Å; W277-V297 HydrophobicContact CH2-CG1 3.79Å; W277-V297 HydrophobicContact CZ2-CG1 4.15Å
278	P	86.1	Confident	85.2	Confident	44 Å²	44	64.8 Å²	64.8	29%	0.286	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.1	-0.5	-12.3	31.9	-31.7	0	0	0	113.9	R276 C280 L281 T375 I379	R276-P278 CarbonylContact O-C 3.57Å; P278-C280 PolarHBondContact O-N 2.82Å; P278-C280 VanDerWaalsContact O-N 3.08Å; P278-L281 HydrophobicContact CB-CD1 4.09Å; P278-L281 VanDerWaalsContact O-CB 3.31Å; P278-L281 WeakPolarHBondContact O-CB 3.5Å; P278-L281 WeakPolarHBondContact O-CG 3.48Å; P278-L281 PolarHBondContact O-N 2.73Å; P278-T375 HydrophobicContact CB-CG2 4.44Å; P278-T375 HydrophobicContact CG-CG2 3.89Å; P278-I379 HydrophobicContact CB-CD1 4.17Å; P278-I379 HydrophobicContact CG-CD1 4.44Å
279	K	85	Confident	84.7	Confident	113 Å²	113	60.7 Å²	60.7	49%	0.491	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-55.2	-28.5	-177.3	-62.6	-169.5	172.1	-164.4	0	114.1	R276 L281 A282 D371	R276-K279 CarbonylContact O-C 3.58Å; R276-K279 WeakPolarHBondContact O-CA 3.39Å; R276-K279 WeakPolarHBondContact O-CB 3.48Å; R276-K279 PolarHBondContact O-N 3Å; K279-L281 PolarHBondContact O-N 2.69Å; K279-A282 PolarHBondContact O-N 3.22Å; K279-D371 IonicContact NZ-OD2 2.69Å; K279-D371 PolarHBondContact NZ-OD2 3.45Å
280	C	82.5	Confident	84.2	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.014	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.4	173.6	54.8	0	0	0	0	114	R276 P278 A282 T283 I289	R276-C280 HydrophobicContact CB-CB 3.85Å; R276-C280 PolarHBondContact O-N 3.33Å; P278-C280 PolarHBondContact O-N 2.82Å; P278-C280 VanDerWaalsContact O-N 3.08Å; C280-A282 PolarHBondContact O-N 2.93Å; C280-T283 VanDerWaalsContact O-CB 3.26Å; C280-T283 WeakPolarHBondContact O-CB 3.47Å; C280-T283 PolarHBondContact O-N 2.85Å; C280-T283 PolarHBondContact O-OG1 2.77Å; C280-I289 HydrophobicContact CB-CD1 4.04Å; C280-I289 HydrophobicContact CB-CG1 4.31Å
281	L	80.3	Confident	83.7	Confident	5 Å²	5	67 Å²	67	3%	0.026	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-59	-34.7	178.7	-69.1	170.3	0	0	0	112.5	W277 P278 K279 T283 I289 V297 W378 I379	W277-L281 HydrophobicContact CH2-CD1 3.74Å; W277-L281 HydrophobicContact CH2-CD2 3.9Å; W277-L281 HydrophobicContact CH2-CG 4Å; W277-L281 HydrophobicContact CZ2-CD1 4.24Å; W277-L281 HydrophobicContact CZ3-CD1 4.08Å; W277-L281 HydrophobicContact CZ3-CD2 3.74Å; W277-L281 HydrophobicContact CZ3-CG 3.83Å; P278-L281 HydrophobicContact CB-CD1 4.09Å; P278-L281 VanDerWaalsContact O-CB 3.31Å; P278-L281 WeakPolarHBondContact O-CB 3.5Å; P278-L281 WeakPolarHBondContact O-CG 3.48Å; P278-L281 PolarHBondContact O-N 2.73Å; K279-L281 PolarHBondContact O-N 2.69Å; L281-T283 PolarHBondContact O-N 3.5Å; L281-I289 HydrophobicContact CD2-CD1 4.24Å; L281-I289 HydrophobicContact CD2-CG2 4.5Å; L281-V297 HydrophobicContact CD1-CG1 3.77Å; L281-V297 HydrophobicContact CD2-CG1 4.34Å; L281-W378 HydrophobicContact CB-CZ3 3.89Å; L281-W378 VanDerWaalsContact O-CH2 3.25Å; L281-W378 WeakPolarHBondContact O-CH2 3.43Å; L281-I379 HydrophobicContact CD1-CD1 4.2Å; L281-I379 HydrophobicContact CD1-CG1 4.02Å
282	A	75	Confident	83.2	Confident	58 Å²	58	68.4 Å²	68.4	48%	0.479	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-73.1	-5.2	176	0	0	0	0	0	113.8	K279 C280 T284 W378	K279-A282 PolarHBondContact O-N 3.22Å; C280-A282 PolarHBondContact O-N 2.93Å; A282-T284 PolarHBondContact O-N 3.17Å; A282-W378 HydrophobicContact CB-CD2 4.48Å; A282-W378 HydrophobicContact CB-CZ2 4.44Å
283	T	75	Confident	82.6	Confident	65 Å²	65	65 Å²	65	40%	0.399	33%	0.33	S	S	.	.			trans	-93.8	85.3	-175.9	-52.3	0	0	0	0	111.2	C280 L281 N285 N286	C280-T283 VanDerWaalsContact O-CB 3.26Å; C280-T283 WeakPolarHBondContact O-CB 3.47Å; C280-T283 PolarHBondContact O-N 2.85Å; C280-T283 PolarHBondContact O-OG1 2.77Å; L281-T283 PolarHBondContact O-N 3.5Å; T283-N285 PolarHBondContact O-N 3.34Å; T283-N286 HydrophobicContact CG2-CB 4.27Å; T283-N286 PolarHBondContact O-N 3.22Å
284	T	62.8	Low	82	Confident	112 Å²	112	67.9 Å²	67.9	69%	0.687	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-23.3	-179.2	53.3	0	0	0	0	115.3	A282	A282-T284 PolarHBondContact O-N 3.17Å
285	N	72.9	Confident	81.5	Confident	150 Å²	150	73.6 Å²	73.6	80%	0.802	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.3	179.4	-70.7	-16.6	0	0	0	114.4	T283 R287	T283-N285 PolarHBondContact O-N 3.34Å; N285-R287 PolarHBondContact O-N 2.98Å
286	N	79	Confident	81.2	Confident	22 Å²	22	68.7 Å²	68.7	12%	0.118	34%	0.339	C	S	.	.			trans	-79.9	119.3	177.8	-178.6	-29.5	0	0	0	110.2	R276 T283 I288 I289 K290	R276-N286 PolarHBondContact NH2-ND2 3.39Å; T283-N286 HydrophobicContact CG2-CB 4.27Å; T283-N286 PolarHBondContact O-N 3.22Å; N286-I288 PolarHBondContact O-N 3.23Å; N286-I288 PolarHBondContact OD1-N 3.02Å; N286-I289 HydrophobicContact CB-CB 3.98Å; N286-I289 HydrophobicContact CB-CG1 3.81Å; N286-I289 PolarHBondContact O-N 2.93Å; N286-I289 PolarHBondContact OD1-N 2.91Å; N286-K290 WeakPolarHBondContact O-CB 3.06Å; N286-K290 PolarHBondContact O-N 3.16Å
287	R	84.1	Confident	81	Confident	223 Å²	223	64.8 Å²	64.8	84%	0.842	33%	0.325	S	S	*	.	H	α-helix	trans	-60.3	-40.5	-177.8	-67.3	-177.5	178.3	-176.4	-1.2	113.1	N285 K290 A291	N285-R287 PolarHBondContact O-N 2.98Å; R287-K290 PolarHBondContact O-N 2.79Å; R287-A291 PolarHBondContact O-N 3.01Å; R287-A291 VanDerWaalsContact O-N 3.13Å
288	I	82.6	Confident	80.7	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.108	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-46	178.3	-62.2	175.8	0	0	0	109.6	L243 E269 L273 N286 K290 A291 Y292 F296	L243-I288 HydrophobicContact CD2-CG2 3.49Å; L243-I288 VanDerWaalsContact CD2-CG2 3.49Å; E269-I288 HydrophobicContact CG-CD1 3.85Å; L273-I288 HydrophobicContact CD2-CG2 4.23Å; N286-I288 PolarHBondContact O-N 3.23Å; N286-I288 PolarHBondContact OD1-N 3.02Å; I288-K290 VanDerWaalsContact C-N 3.32Å; I288-K290 PolarHBondContact O-N 3.04Å; I288-A291 PolarHBondContact O-N 2.85Å; I288-A291 VanDerWaalsContact O-N 3.16Å; I288-Y292 HydrophobicContact CG2-CD2 4.28Å; I288-Y292 PolarHBondContact O-N 3.2Å; I288-F296 HydrophobicContact CG2-CE2 3.99Å; I288-F296 HydrophobicContact CG2-CZ 3.87Å
289	I	83.4	Confident	80.6	Confident	10 Å²	10	64 Å²	64	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-38.5	177.6	-60	-66.8	0	0	0	111.3	L273 C280 L281 N286 A291 G293 F296	L273-I289 HydrophobicContact CD1-CD1 3.7Å; C280-I289 HydrophobicContact CB-CD1 4.04Å; C280-I289 HydrophobicContact CB-CG1 4.31Å; L281-I289 HydrophobicContact CD2-CD1 4.24Å; L281-I289 HydrophobicContact CD2-CG2 4.5Å; N286-I289 HydrophobicContact CB-CB 3.98Å; N286-I289 HydrophobicContact CB-CG1 3.81Å; N286-I289 PolarHBondContact O-N 2.93Å; N286-I289 PolarHBondContact OD1-N 2.91Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.48Å; I289-G293 WeakPolarHBondContact O-CA 3.46Å; I289-G293 PolarHBondContact O-N 3.38Å; I289-F296 HydrophobicContact CD1-CE2 4.35Å
290	K	80.4	Confident	80.8	Confident	182 Å²	182	59.3 Å²	59.3	79%	0.791	30%	0.303	S	S	*	.	H	α-helix	trans	-64.5	-29.7	175.9	-173.5	176.9	176.9	-174.8	0	113.3	N286 R287 I288	N286-K290 WeakPolarHBondContact O-CB 3.06Å; N286-K290 PolarHBondContact O-N 3.16Å; R287-K290 PolarHBondContact O-N 2.79Å; I288-K290 VanDerWaalsContact C-N 3.32Å; I288-K290 PolarHBondContact O-N 3.04Å
291	A	81.9	Confident	81.2	Confident	69 Å²	69	60.1 Å²	60.1	57%	0.57	31%	0.307	S	S	*	.	H	α-helix	trans	-96.1	-35.8	-178.3	0	0	0	0	0	114.2	R287 I288 I289	R287-A291 PolarHBondContact O-N 3.01Å; R287-A291 VanDerWaalsContact O-N 3.13Å; I288-A291 PolarHBondContact O-N 2.85Å; I288-A291 VanDerWaalsContact O-N 3.16Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.48Å
292	Y	84.4	Confident	81.5	Confident	58 Å²	58	60.1 Å²	60.1	23%	0.227	31%	0.308	C	S	.	.	H	α-helix	trans	-121.2	-7.8	-171.3	-63.5	-89.9	0	0	0	114	H207 L243 I288 Q294 R295 F296	H207-Y292 AromaticContact NE2-CE1 3.76Å; L243-Y292 HydrophobicContact CB-CD1 4.19Å; L243-Y292 HydrophobicContact CB-CE1 4.09Å; L243-Y292 HydrophobicContact CD1-CD2 4.36Å; L243-Y292 HydrophobicContact CD1-CE2 3.94Å; L243-Y292 HydrophobicContact CD2-CD2 4.3Å; L243-Y292 HydrophobicContact CD2-CG 4.42Å; I288-Y292 HydrophobicContact CG2-CD2 4.28Å; I288-Y292 PolarHBondContact O-N 3.2Å; Y292-Q294 VanDerWaalsContact C-N 3.28Å; Y292-Q294 PolarHBondContact O-N 3.38Å; Y292-R295 CarbonylContact O-C 3.54Å; Y292-R295 WeakPolarHBondContact O-CA 3.34Å; Y292-R295 WeakPolarHBondContact O-CB 3.44Å; Y292-R295 PolarHBondContact O-N 3.08Å; Y292-F296 HydrophobicContact CG-CZ 4.39Å; Y292-F296 WeakPolarHBondContact O-CG 3.36Å; Y292-F296 PolarHBondContact O-N 3.22Å
293	G	80.7	Confident	82.2	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.01	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.7	-172.4	0	0	0	0	0	114.9	I289	I289-G293 WeakPolarHBondContact O-CA 3.46Å; I289-G293 PolarHBondContact O-N 3.38Å
294	Q	79.5	Confident	82.9	Confident	60 Å²	60	59 Å²	59	28%	0.28	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-51.8	171.1	-178.6	178.2	-26	0	0	110.9	Y292 F296 V297 T298 L386 D389	Y292-Q294 VanDerWaalsContact C-N 3.28Å; Y292-Q294 PolarHBondContact O-N 3.38Å; Q294-F296 PolarHBondContact O-N 3.21Å; Q294-V297 CarbonylContact O-C 3.57Å; Q294-V297 WeakPolarHBondContact O-CG2 3.49Å; Q294-V297 PolarHBondContact O-N 3.17Å; Q294-T298 PolarHBondContact O-N 3.46Å; Q294-T298 PolarHBondContact O-OG1 3.47Å; Q294-T298 VanDerWaalsContact O-OG1 3.07Å; Q294-L386 HydrophobicContact CB-CD1 4.28Å; Q294-L386 HydrophobicContact CG-CD1 4.1Å; Q294-D389 PolarHBondContact NE2-OD1 2.91Å; Q294-D389 VanDerWaalsContact NE2-OD1 3.15Å; Q294-D389 PolarHBondContact NE2-OD2 3.46Å
295	R	84.1	Confident	84.2	Confident	120 Å²	120	53.7 Å²	53.7	45%	0.453	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.7	177.5	-73	-177.9	171.7	172	-1.2	113.2	H207 R246 Y292 V297	H207-R295 PolarHBondContact CD2-NH1 3.21Å; H207-R295 PolarHBondContact NE2-NH1 2.64Å; H207-R295 VanDerWaalsContact NE2-NH1 3.19Å; R246-R295 WeakPolarHBondContact CG-O 3.24Å; Y292-R295 CarbonylContact O-C 3.54Å; Y292-R295 WeakPolarHBondContact O-CA 3.34Å; Y292-R295 WeakPolarHBondContact O-CB 3.44Å; Y292-R295 PolarHBondContact O-N 3.08Å; R295-V297 PolarHBondContact O-N 2.96Å
296	F	87.5	Confident	84.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.7	175.2	-62.3	-33.7	0	0	0	113.9	L243 I245 R246 L247 G248 L273 W277 I288 I289 Y292 Q294	L243-F296 HydrophobicContact CD2-CE1 4.13Å; L243-F296 HydrophobicContact CD2-CZ 3.65Å; I245-F296 WeakPolarHBondContact O-CD1 3.34Å; R246-F296 CarbonylContact C-O 3.53Å; L247-F296 HydrophobicContact CB-CB 4.41Å; L247-F296 HydrophobicContact CD1-CD1 4.4Å; L247-F296 HydrophobicContact CD1-CD2 4.47Å; L247-F296 HydrophobicContact CD1-CG 4.38Å; L247-F296 HydrophobicContact CG-CD1 4.34Å; L247-F296 PolarHBondContact N-O 2.9Å; G248-F296 WeakPolarHBondContact CA-O 3.34Å; G248-F296 PolarHBondContact N-O 3.45Å; L273-F296 HydrophobicContact CD1-CE2 4.3Å; L273-F296 HydrophobicContact CD2-CE2 3.9Å; L273-F296 HydrophobicContact CD2-CZ 3.77Å; W277-F296 HydrophobicContact CH2-CB 3.59Å; W277-F296 HydrophobicContact CH2-CD2 4.43Å; W277-F296 HydrophobicContact CH2-CG 4.4Å; W277-F296 HydrophobicContact CZ3-CB 3.93Å; W277-F296 AromaticContact CZ3-CD2 3.9Å; W277-F296 HydrophobicContact CZ3-CD2 3.9Å; W277-F296 HydrophobicContact CZ3-CG 4.26Å; I288-F296 HydrophobicContact CG2-CE2 3.99Å; I288-F296 HydrophobicContact CG2-CZ 3.87Å; I289-F296 HydrophobicContact CD1-CE2 4.35Å; Y292-F296 HydrophobicContact CG-CZ 4.39Å; Y292-F296 WeakPolarHBondContact O-CG 3.36Å; Y292-F296 PolarHBondContact O-N 3.22Å; Q294-F296 PolarHBondContact O-N 3.21Å
297	V	84.4	Confident	85.4	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-8	-176.8	-55.7	0	0	0	0	114.7	W277 L281 Q294 R295 P299 R383	W277-V297 HydrophobicContact CH2-CG1 3.79Å; W277-V297 HydrophobicContact CZ2-CG1 4.15Å; L281-V297 HydrophobicContact CD1-CG1 3.77Å; L281-V297 HydrophobicContact CD2-CG1 4.34Å; Q294-V297 CarbonylContact O-C 3.57Å; Q294-V297 WeakPolarHBondContact O-CG2 3.49Å; Q294-V297 PolarHBondContact O-N 3.17Å; R295-V297 PolarHBondContact O-N 2.96Å; V297-P299 WeakPolarHBondContact O-CD 3.33Å; V297-R383 PolarHBondContact O-NE 3.39Å; V297-R383 PolarHBondContact O-NH2 2.93Å
298	T	82.4	Confident	85.6	Confident	46 Å²	46	36 Å²	36	28%	0.282	18%	0.18	S	C	.	.	S	Bend	trans	-80.3	116.9	171.2	-61	0	0	0	0	109.3	R246 Q294	R246-T298 WeakPolarHBondContact CD-O 3.41Å; R246-T298 VanDerWaalsContact CG-O 3.28Å; R246-T298 WeakPolarHBondContact CG-O 3.5Å; R246-T298 PolarHBondContact NE-O 3.05Å; Q294-T298 PolarHBondContact O-N 3.46Å; Q294-T298 PolarHBondContact O-OG1 3.47Å; Q294-T298 VanDerWaalsContact O-OG1 3.07Å
299	P	85.5	Confident	85.8	Confident	21 Å²	21	35.1 Å²	35.1	14%	0.136	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-66	158.9	177.3	-16.5	30.6	0	0	0	112.7	M249 V297 V328 V329	M249-P299 HydrophobicContact CE-CB 3.98Å; M249-P299 HydrophobicContact CE-CG 4.41Å; M249-P299 HydrophobicContact SD-CB 3.73Å; M249-P299 HydrophobicContact SD-CG 3.75Å; V297-P299 WeakPolarHBondContact O-CD 3.33Å; P299-V328 HydrophobicContact CB-CG1 3.58Å; P299-V329 HydrophobicContact CG-CG1 3.89Å
300	R	89.5	Confident	85.9	Confident	13 Å²	13	35 Å²	35	5%	0.049	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-60	157	166	-56.8	-80	-177.3	-172.9	-6.3	110.2	L206 E208 D209 E216 R246 V328	L206-R300 PolarHBondContact O-NH1 3.03Å; L206-R300 PolarHBondContact O-NH2 2.89Å; E208-R300 PolarHBondContact O-NH1 2.82Å; D209-R300 CarbonylContact O-C 3.59Å; D209-R300 WeakPolarHBondContact O-CA 3.32Å; E216-R300 IonicContact OE1-CZ 3.08Å; E216-R300 IonicContact OE1-NE 2.95Å; E216-R300 IonicContact OE1-NH2 2.64Å; E216-R300 PolarHBondContact OE1-NH2 3.48Å; E216-R300 IonicContact OE2-NE 2.98Å; E216-R300 PolarHBondContact OE2-NE 2.87Å; E216-R300 IonicContact OE2-NH2 3.79Å; R246-R300 VanDerWaalsContact NH1-NE 3.18Å; R300-V328 WeakPolarHBondContact O-CG1 3.34Å
301	L	89.1	Confident	85.9	Confident	19 Å²	19	26.3 Å²	26.3	10%	0.099	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-80.3	134.3	175.7	-61.3	168.9	0	0	0	109.7	D209 T210 H303 K649 I652	D209-L301 HydrophobicContact CB-CD1 4.02Å; D209-L301 HydrophobicContact CB-CG 4.11Å; D209-L301 PolarHBondContact O-N 2.74Å; T210-L301 HydrophobicContact CG2-CD1 3.78Å; L301-H303 PolarHBondContact O-ND1 3.39Å; L301-K649 HydrophobicContact CD1-CD 3.9Å; L301-K649 HydrophobicContact CD1-CG 4.17Å; L301-I652 HydrophobicContact CB-CD1 4.46Å; L301-I652 HydrophobicContact CD2-CD1 3.83Å
302	P	88.4	Confident	85.8	Confident	5 Å²	5	27.1 Å²	27.1	3%	0.032	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-63.5	139.3	175.2	26.9	-37	0	0	0	111.7	I305 N326 P327 V328 V648 I652	P302-I305 HydrophobicContact CB-CG2 4.18Å; P302-I305 HydrophobicContact CG-CG2 3.91Å; P302-N326 WeakPolarHBondContact CG-OD1 3.31Å; P302-P327 HydrophobicContact CB-CG 4.11Å; P302-V328 HydrophobicContact CB-CG2 3.97Å; P302-V648 HydrophobicContact CB-CG1 4.35Å; P302-V648 HydrophobicContact CG-CG1 3.86Å; P302-V648 WeakPolarHBondContact O-CG1 3.14Å; P302-I652 HydrophobicContact CG-CD1 3.68Å; P302-I652 HydrophobicContact CG-CG2 4.19Å
303	H	89.7	Confident	85.5	Confident	12 Å²	12	27.8 Å²	27.8	6%	0.056	13%	0.129	C	C	.	.	S	Bend	trans	-84.6	-13.9	171.6	-74.3	70	0	0	0	113.1	T210 N212 L301 K643 G644	T210-H303 PolarHBondContact O-CE1 2.92Å; T210-H303 PolarHBondContact O-NE2 3.4Å; T210-H303 VanDerWaalsContact O-NE2 3.15Å; N212-H303 VanDerWaalsContact CB-CE1 3.43Å; N212-H303 WeakPolarHBondContact CB-CE1 3.36Å; N212-H303 WeakPolarHBondContact CB-ND1 3.28Å; N212-H303 PolarHBondContact OD1-ND1 3.4Å; L301-H303 PolarHBondContact O-ND1 3.39Å; H303-K643 CarbonylContact O-C 3.59Å; H303-K643 WeakPolarHBondContact O-CA 3.47Å; H303-G644 PolarHBondContact O-N 2.9Å
304	Q	89.8	Confident	85.1	Confident	87 Å²	87	32.8 Å²	32.8	41%	0.407	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.9	-179.1	-52.5	-174.6	42.1	0	0	109.7	P327 T641 L642 K643	Q304-P327 WeakPolarHBondContact O-CG 3.38Å; Q304-T641 HydrophobicContact CB-CG2 3.97Å; Q304-L642 CarbonylContact C-O 3.52Å; Q304-L642 VanDerWaalsContact CA-O 3.23Å; Q304-L642 WeakPolarHBondContact CA-O 3.23Å; Q304-K643 HydrophobicContact CB-CG 4.41Å; Q304-K643 HydrophobicContact CG-CB 4.15Å; Q304-K643 HydrophobicContact CG-CD 4.14Å; Q304-K643 HydrophobicContact CG-CG 3.83Å; Q304-K643 VanDerWaalsContact OE1-NZ 3.14Å
305	I	88.4	Confident	85	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.6	175.5	51.7	171.4	0	0	0	110.6	P302 M307 V324 Y325 T641 L642 V648 I652	P302-I305 HydrophobicContact CB-CG2 4.18Å; P302-I305 HydrophobicContact CG-CG2 3.91Å; I305-M307 HydrophobicContact CD1-CG 4.21Å; I305-M307 HydrophobicContact CD1-SD 4.29Å; I305-M307 HydrophobicContact CG1-CG 4.36Å; I305-V324 HydrophobicContact CB-CG1 4.36Å; I305-V324 HydrophobicContact CD1-CG1 3.69Å; I305-Y325 VanDerWaalsContact CB-O 3.3Å; I305-Y325 WeakPolarHBondContact CB-O 3.42Å; I305-Y325 VanDerWaalsContact CG2-O 3.29Å; I305-Y325 WeakPolarHBondContact CG2-O 3.44Å; I305-T641 CarbonylContact O-C 3.5Å; I305-T641 WeakPolarHBondContact O-CA 3.03Å; I305-L642 HydrophobicContact CD1-CD2 4.39Å; I305-L642 HydrophobicContact CG1-CB 4.07Å; I305-L642 PolarHBondContact N-O 2.81Å; I305-L642 PolarHBondContact O-N 2.98Å; I305-V648 HydrophobicContact CB-CG1 4.27Å; I305-V648 HydrophobicContact CD1-CG1 3.98Å; I305-V648 HydrophobicContact CG1-CB 4.44Å; I305-V648 HydrophobicContact CG1-CG1 3.86Å; I305-V648 HydrophobicContact CG1-CG2 4.04Å; I305-V648 HydrophobicContact CG2-CG1 3.55Å; I305-I652 HydrophobicContact CD1-CG2 4.3Å; I305-I652 HydrophobicContact CG2-CG2 3.84Å
306	A	88.7	Confident	84.8	Confident	12 Å²	12	34.9 Å²	34.9	10%	0.099	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132	169.1	0	0	0	0	0	109.5	V324 Y325 I622	A306-V324 WeakPolarHBondContact O-CA 3.21Å; A306-Y325 PolarHBondContact O-N 2.99Å; A306-I622 HydrophobicContact CB-CD1 4.3Å
307	M	87.9	Confident	84.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.4	174.3	-58.1	-172.7	76.2	0	0	108.7	I305 F309 V322 Q323 V324 I416 F454 A639 C640 L642 Y651	I305-M307 HydrophobicContact CD1-CG 4.21Å; I305-M307 HydrophobicContact CD1-SD 4.29Å; I305-M307 HydrophobicContact CG1-CG 4.36Å; M307-F309 HydrophobicContact CB-CE2 3.86Å; M307-F309 HydrophobicContact CB-CZ 3.69Å; M307-F309 WeakPolarHBondContact O-CE2 3.14Å; M307-V322 HydrophobicContact CE-CG1 4.18Å; M307-Q323 CarbonylContact C-O 3.46Å; M307-Q323 WeakPolarHBondContact CA-O 3.44Å; M307-V324 HydrophobicContact CE-CG2 3.92Å; M307-V324 HydrophobicContact CG-CG2 4.32Å; M307-I416 HydrophobicContact CE-CD1 4.09Å; M307-F454 HydrophobicContact CE-CD1 4.43Å; M307-F454 HydrophobicContact CE-CE1 3.64Å; M307-F454 HydrophobicContact CE-CZ 4.28Å; M307-F454 HydrophobicContact SD-CD1 4.29Å; M307-F454 HydrophobicContact SD-CE1 3.57Å; M307-F454 VanDerWaalsContact SD-CE1 3.57Å; M307-F454 HydrophobicContact SD-CZ 3.77Å; M307-A639 CarbonylContact O-C 3.51Å; M307-A639 WeakPolarHBondContact O-CA 3.1Å; M307-C640 PolarHBondContact N-O 3.36Å; M307-C640 PolarHBondContact O-N 2.79Å; M307-L642 HydrophobicContact CG-CB 4.43Å; M307-L642 HydrophobicContact SD-CB 3.92Å; M307-L642 HydrophobicContact SD-CD2 3.76Å; M307-L642 HydrophobicContact SD-CG 4.48Å; M307-Y651 HydrophobicContact CE-CD1 4.15Å; M307-Y651 HydrophobicContact CE-CG 4.21Å
308	V	88.3	Confident	84.5	Confident	11 Å²	11	35.8 Å²	35.8	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.5	-178	-177.2	0	0	0	0	108.6	V322 Q323 W332 A636 C638 A639	V308-V322 CarbonylContact O-C 3.51Å; V308-V322 WeakPolarHBondContact O-CA 3.4Å; V308-V322 WeakPolarHBondContact O-CG1 3.24Å; V308-Q323 HydrophobicContact CB-CB 4.21Å; V308-Q323 PolarHBondContact N-O 3.43Å; V308-Q323 PolarHBondContact O-N 2.73Å; V308-W332 HydrophobicContact CG2-CH2 3.67Å; V308-W332 HydrophobicContact CG2-CZ3 3.72Å; V308-A636 HydrophobicContact CG1-CB 3.52Å; V308-C638 CarbonylContact C-O 3.57Å; V308-C638 WeakPolarHBondContact CA-O 3.38Å; V308-A639 HydrophobicContact CB-CB 4.44Å; V308-A639 HydrophobicContact CG2-CB 3.91Å
309	F	88.1	Confident	84.5	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.6	-173	-55.2	-93.2	0	0	0	111.8	M307 V322 I419 V434 V436 F454 W460 S637 C638	M307-F309 HydrophobicContact CB-CE2 3.86Å; M307-F309 HydrophobicContact CB-CZ 3.69Å; M307-F309 WeakPolarHBondContact O-CE2 3.14Å; F309-V322 HydrophobicContact CD1-CG1 4.19Å; F309-V322 HydrophobicContact CD1-CG2 3.53Å; F309-V322 HydrophobicContact CE1-CG1 4.05Å; F309-V322 HydrophobicContact CE1-CG2 3.93Å; F309-V322 HydrophobicContact CG-CG2 4.41Å; F309-I419 HydrophobicContact CB-CD1 4.24Å; F309-I419 HydrophobicContact CD1-CD1 4.1Å; F309-V434 HydrophobicContact CE1-CG1 4.16Å; F309-V434 HydrophobicContact CE2-CG2 4Å; F309-V434 HydrophobicContact CZ-CB 4.44Å; F309-V434 HydrophobicContact CZ-CG1 4.1Å; F309-V434 HydrophobicContact CZ-CG2 4.05Å; F309-V436 HydrophobicContact CB-CG2 4.49Å; F309-V436 HydrophobicContact CG-CG2 4.35Å; F309-F454 HydrophobicContact CZ-CZ 4.07Å; F309-W460 AromaticContact CD1-CH2 3.8Å; F309-W460 HydrophobicContact CD1-CH2 3.8Å; F309-W460 AromaticContact CD1-CZ2 3.88Å; F309-W460 HydrophobicContact CD1-CZ2 3.88Å; F309-W460 AromaticContact CE1-CH2 3.94Å; F309-W460 HydrophobicContact CE1-CH2 3.94Å; F309-W460 AromaticContact CE1-CZ2 3.99Å; F309-W460 HydrophobicContact CE1-CZ2 3.99Å; F309-S637 WeakPolarHBondContact O-CB 3.18Å; F309-C638 PolarHBondContact N-O 2.83Å
310	G	84.5	Confident	84.5	Confident	7 Å²	7	33.4 Å²	33.4	7%	0.072	19%	0.188	C	C	.	.			trans	60.6	-146.7	176.6	0	0	0	0	0	113.3	A321 R422	G310-A321 PolarHBondContact N-O 3.36Å; G310-R422 WeakPolarHBondContact CA-O 3.28Å
311	G	80.6	Confident	84.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.			trans	124.5	-177.1	174.5	0	0	0	0	0	113.5	P318 V319 R422 S635	G311-P318 CarbonylContact O-C 3.55Å; G311-P318 VanDerWaalsContact O-CA 3.27Å; G311-P318 WeakPolarHBondContact O-CA 3.45Å; G311-V319 WeakPolarHBondContact O-CG2 3.38Å; G311-V319 PolarHBondContact O-N 2.95Å; G311-R422 PolarHBondContact N-O 3.41Å; G311-S635 CarbonylContact C-O 3.56Å; G311-S635 WeakPolarHBondContact CA-O 3.33Å
312	W	80.4	Confident	83.9	Confident	87 Å²	87	32.1 Å²	32.1	33%	0.33	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.1	179.2	-174.3	-79.1	0	0	0	112.1	P318 V423 F440 F634 S635	W312-P318 HydrophobicContact CE3-CG 3.68Å; W312-P318 HydrophobicContact CZ3-CG 3.73Å; W312-V423 HydrophobicContact CB-CG2 4.15Å; W312-V423 HydrophobicContact CE3-CG1 4Å; W312-F440 HydrophobicContact CZ3-CD1 4.39Å; W312-F440 HydrophobicContact CZ3-CE1 4.22Å; W312-F634 VanDerWaalsContact O-CA 3.27Å; W312-F634 WeakPolarHBondContact O-CA 3.42Å; W312-S635 WeakPolarHBondContact CB-OG 3.04Å; W312-S635 PolarHBondContact N-O 2.86Å; W312-S635 PolarHBondContact O-N 2.96Å
313	R	78.4	Confident	83.6	Confident	71 Å²	71	32.6 Å²	32.6	27%	0.268	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.4	171.2	-172.8	-171.6	-69.1	167.4	6.3	110.4	G315 E316 G317 V319 F634	R313-G315 PolarHBondContact O-N 2.79Å; R313-E316 HydrophobicContact CB-CB 4.27Å; R313-E316 VanDerWaalsContact CD-CD 3.48Å; R313-E316 WeakPolarHBondContact CD-OE1 3.5Å; R313-E316 HydrophobicContact CG-CB 4.5Å; R313-E316 IonicContact CZ-OE1 3.7Å; R313-E316 IonicContact CZ-OE2 2.62Å; R313-E316 IonicContact NE-OE1 2.76Å; R313-E316 IonicContact NH1-OE1 2.88Å; R313-E316 PolarHBondContact NH1-OE1 2.88Å; R313-E316 IonicContact NH1-OE2 2.78Å; R313-E316 PolarHBondContact NH1-OE2 3.44Å; R313-E316 PolarHBondContact O-N 2.95Å; R313-G317 PolarHBondContact N-O 2.8Å; R313-G317 PolarHBondContact O-N 2.79Å; R313-V319 HydrophobicContact CB-CG1 3.76Å; R313-F634 HydrophobicContact CB-CD1 3.99Å; R313-F634 HydrophobicContact CB-CE1 3.8Å; R313-F634 HydrophobicContact CG-CD1 4.49Å; R313-F634 HydrophobicContact CG-CE1 4.05Å; R313-F634 VanDerWaalsContact NE-CE1 3.31Å
314	D	72.2	Confident	83.4	Confident	107 Å²	107	32.1 Å²	32.1	57%	0.572	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130.2	176	-66.8	-50.8	0	0	0	111.9	E316 S633	D314-E316 PolarHBondContact O-N 2.97Å; D314-S633 VanDerWaalsContact OD2-CB 3.26Å; D314-S633 WeakPolarHBondContact OD2-CB 3.35Å; D314-S633 PolarHBondContact OD2-OG 2.82Å
315	G	76.9	Confident	83.1	Confident	91 Å²	91	28.1 Å²	28.1	94%	0.938	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	-23.3	-178.1	0	0	0	0	0	116.3	R313	R313-G315 PolarHBondContact O-N 2.79Å
316	E	79.3	Confident	82.8	Confident	133 Å²	133	29 Å²	29	62%	0.621	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-27.2	-179.8	-75.4	-179.7	-125.7	0	0	114.1	R313 D314	R313-E316 HydrophobicContact CB-CB 4.27Å; R313-E316 VanDerWaalsContact CD-CD 3.48Å; R313-E316 WeakPolarHBondContact CD-OE1 3.5Å; R313-E316 HydrophobicContact CG-CB 4.5Å; R313-E316 IonicContact CZ-OE1 3.7Å; R313-E316 IonicContact CZ-OE2 2.62Å; R313-E316 IonicContact NE-OE1 2.76Å; R313-E316 IonicContact NH1-OE1 2.88Å; R313-E316 PolarHBondContact NH1-OE1 2.88Å; R313-E316 IonicContact NH1-OE2 2.78Å; R313-E316 PolarHBondContact NH1-OE2 3.44Å; R313-E316 PolarHBondContact O-N 2.95Å; D314-E316 PolarHBondContact O-N 2.97Å
317	G	82.5	Confident	82.4	Confident	8 Å²	8	30.6 Å²	30.6	8%	0.082	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.9	-152.2	-177.6	0	0	0	0	0	113.5	R313	R313-G317 PolarHBondContact N-O 2.8Å; R313-G317 PolarHBondContact O-N 2.79Å
318	P	84.8	Confident	82	Confident	17 Å²	17	33 Å²	33	11%	0.11	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.6	-177.4	-23.5	36.3	0	0	0	113.3	G311 W312 V423 F440	G311-P318 CarbonylContact O-C 3.55Å; G311-P318 VanDerWaalsContact O-CA 3.27Å; G311-P318 WeakPolarHBondContact O-CA 3.45Å; W312-P318 HydrophobicContact CE3-CG 3.68Å; W312-P318 HydrophobicContact CZ3-CG 3.73Å; P318-V423 HydrophobicContact CB-CB 4.47Å; P318-V423 HydrophobicContact CB-CG1 4.29Å; P318-V423 HydrophobicContact CG-CG1 3.99Å; P318-F440 HydrophobicContact CG-CD1 4.37Å
319	V	81.3	Confident	81.4	Confident	11 Å²	11	34.7 Å²	34.7	7%	0.067	20%	0.202	C	C	.	.			trans	-110	153.6	-175.6	-67.5	0	0	0	0	113.7	G311 R313 A321 F634	G311-V319 WeakPolarHBondContact O-CG2 3.38Å; G311-V319 PolarHBondContact O-N 2.95Å; R313-V319 HydrophobicContact CB-CG1 3.76Å; V319-A321 HydrophobicContact CB-CB 4.37Å; V319-A321 HydrophobicContact CG2-CB 3.86Å; V319-F634 HydrophobicContact CG1-CE1 4.2Å; V319-F634 HydrophobicContact CG2-CD1 3.83Å; V319-F634 HydrophobicContact CG2-CE1 3.88Å
320	A	85	Confident	80.9	Confident	6 Å²	6	39.1 Å²	39.1	5%	0.05	22%	0.222	C	C	.	.			trans	-94.9	89.6	168.4	0	0	0	0	0	107.3	E337 I419 K421	A320-E337 HydrophobicContact CB-CG 3.56Å; A320-E337 WeakPolarHBondContact CB-OE1 3.47Å; A320-I419 HydrophobicContact CB-CG2 4.04Å; A320-I419 WeakPolarHBondContact CB-O 3.32Å; A320-K421 HydrophobicContact CB-CD 4.47Å; A320-K421 HydrophobicContact CB-CG 3.63Å
321	A	81.9	Confident	80.3	Confident	3 Å²	3	42.9 Å²	42.9	3%	0.025	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.8	-172.5	0	0	0	0	0	111.4	G310 V319 L334 W335	G310-A321 PolarHBondContact N-O 3.36Å; V319-A321 HydrophobicContact CB-CB 4.37Å; V319-A321 HydrophobicContact CG2-CB 3.86Å; A321-L334 HydrophobicContact CB-CD1 4.1Å; A321-W335 CarbonylContact C-O 3.55Å; A321-W335 VanDerWaalsContact CA-O 3.25Å; A321-W335 WeakPolarHBondContact CA-O 3.44Å
322	V	84.7	Confident	80.1	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.3	160.3	-179.7	0	0	0	0	108.9	M307 V308 F309 V324 W335 I416 I419	M307-V322 HydrophobicContact CE-CG1 4.18Å; V308-V322 CarbonylContact O-C 3.51Å; V308-V322 WeakPolarHBondContact O-CA 3.4Å; V308-V322 WeakPolarHBondContact O-CG1 3.24Å; F309-V322 HydrophobicContact CD1-CG1 4.19Å; F309-V322 HydrophobicContact CD1-CG2 3.53Å; F309-V322 HydrophobicContact CE1-CG1 4.05Å; F309-V322 HydrophobicContact CE1-CG2 3.93Å; F309-V322 HydrophobicContact CG-CG2 4.41Å; V322-V324 HydrophobicContact CG1-CG2 4.31Å; V322-W335 HydrophobicContact CB-CB 4.41Å; V322-W335 PolarHBondContact N-O 2.83Å; V322-W335 WeakPolarHBondContact O-CB 3.23Å; V322-W335 PolarHBondContact O-N 3.43Å; V322-I416 HydrophobicContact CB-CD1 3.85Å; V322-I416 HydrophobicContact CG1-CD1 3.9Å; V322-I416 HydrophobicContact CG2-CD1 4.19Å; V322-I416 HydrophobicContact CG2-CG2 3.95Å; V322-I419 HydrophobicContact CG2-CD1 4.24Å
323	Q	83.2	Confident	79.9	Confident	15 Å²	15	41.5 Å²	41.5	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.2	169.5	-61.6	175.6	-51.8	0	0	109.1	M307 V308 W332 T333 L334	M307-Q323 CarbonylContact C-O 3.46Å; M307-Q323 WeakPolarHBondContact CA-O 3.44Å; V308-Q323 HydrophobicContact CB-CB 4.21Å; V308-Q323 PolarHBondContact N-O 3.43Å; V308-Q323 PolarHBondContact O-N 2.73Å; Q323-W332 HydrophobicContact CB-CE3 3.71Å; Q323-W332 HydrophobicContact CB-CZ3 3.79Å; Q323-T333 WeakPolarHBondContact CA-O 3.35Å; Q323-L334 HydrophobicContact CG-CD1 3.55Å
324	V	84.4	Confident	79.8	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.2	177.7	176.7	0	0	0	0	109	I305 A306 M307 V322 W332 T333	I305-V324 HydrophobicContact CB-CG1 4.36Å; I305-V324 HydrophobicContact CD1-CG1 3.69Å; A306-V324 WeakPolarHBondContact O-CA 3.21Å; M307-V324 HydrophobicContact CE-CG2 3.92Å; M307-V324 HydrophobicContact CG-CG2 4.32Å; V322-V324 HydrophobicContact CG1-CG2 4.31Å; V324-W332 CarbonylContact O-C 3.58Å; V324-W332 WeakPolarHBondContact O-CA 3.43Å; V324-T333 PolarHBondContact N-O 2.98Å; V324-T333 PolarHBondContact O-N 2.78Å
325	Y	84	Confident	80.1	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126	173.3	-174.6	-106.8	0	0	0	111.4	I305 A306 P327 K330 E331 W332 V626	I305-Y325 VanDerWaalsContact CB-O 3.3Å; I305-Y325 WeakPolarHBondContact CB-O 3.42Å; I305-Y325 VanDerWaalsContact CG2-O 3.29Å; I305-Y325 WeakPolarHBondContact CG2-O 3.44Å; A306-Y325 PolarHBondContact O-N 2.99Å; Y325-P327 HydrophobicContact CD1-CB 4.29Å; Y325-P327 VanDerWaalsContact CE1-CA 3.46Å; Y325-P327 HydrophobicContact CE1-CB 3.9Å; Y325-K330 WeakPolarHBondContact OH-CA 3.08Å; Y325-K330 WeakPolarHBondContact OH-CB 3.49Å; Y325-E331 WeakPolarHBondContact CA-O 3.23Å; Y325-E331 VanDerWaalsContact CD2-O 3.25Å; Y325-E331 WeakPolarHBondContact CD2-O 3.32Å; Y325-W332 AromaticContact CD2-CD1 3.58Å; Y325-W332 AromaticContact CD2-CD2 3.73Å; Y325-W332 HydrophobicContact CD2-CD2 3.73Å; Y325-W332 AromaticContact CD2-CE2 3.51Å; Y325-W332 HydrophobicContact CD2-CE3 4.47Å; Y325-W332 AromaticContact CD2-CG 3.8Å; Y325-W332 HydrophobicContact CD2-CG 3.8Å; Y325-W332 HydrophobicContact CD2-CZ2 4.13Å; Y325-W332 AromaticContact CD2-NE1 3.37Å; Y325-W332 AromaticContact CE2-CD1 3.97Å; Y325-W332 AromaticContact CE2-NE1 3.79Å; Y325-W332 HydrophobicContact CG-CD2 4.24Å; Y325-W332 HydrophobicContact CG-CZ2 4.19Å; Y325-V626 HydrophobicContact CD1-CG1 3.8Å; Y325-V626 HydrophobicContact CD1-CG2 4.15Å; Y325-V626 HydrophobicContact CE1-CB 3.98Å; Y325-V626 HydrophobicContact CE1-CG1 3.39Å; Y325-V626 HydrophobicContact CE1-CG2 3.74Å; Y325-V626 HydrophobicContact CE2-CG1 4.38Å; Y325-V626 HydrophobicContact CG-CG1 4.43Å
326	N	82.3	Confident	79.8	Confident	21 Å²	21	30.5 Å²	30.5	11%	0.112	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.5	170.5	-179.1	-19.8	0	0	0	109.8	P302 V328 V329 K330 E331 I652	P302-N326 WeakPolarHBondContact CG-OD1 3.31Å; N326-V328 VanDerWaalsContact C-N 3.3Å; N326-V328 PolarHBondContact O-N 2.95Å; N326-V328 PolarHBondContact OD1-N 3.42Å; N326-V329 HydrophobicContact CB-CG2 3.71Å; N326-K330 WeakPolarHBondContact O-CA 2.84Å; N326-K330 PolarHBondContact O-N 3.16Å; N326-E331 PolarHBondContact N-O 3.05Å; N326-E331 PolarHBondContact O-N 3.24Å; N326-I652 HydrophobicContact CB-CG2 4.38Å
327	P	79.7	Confident	79.2	Confident	45 Å²	45	27.6 Å²	27.6	29%	0.292	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.4	-175.6	28.5	-35.1	0	0	0	114.4	P302 Q304 Y325	P302-P327 HydrophobicContact CB-CG 4.11Å; Q304-P327 WeakPolarHBondContact O-CG 3.38Å; Y325-P327 HydrophobicContact CD1-CB 4.29Å; Y325-P327 VanDerWaalsContact CE1-CA 3.46Å; Y325-P327 HydrophobicContact CE1-CB 3.9Å
328	V	79.2	Confident	77.9	Confident	50 Å²	50	33.3 Å²	33.3	30%	0.303	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-37.7	-177.9	-175.6	0	0	0	0	111.6	M249 P299 R300 P302 N326	M249-V328 HydrophobicContact CE-CG1 3.98Å; P299-V328 HydrophobicContact CB-CG1 3.58Å; R300-V328 WeakPolarHBondContact O-CG1 3.34Å; P302-V328 HydrophobicContact CB-CG2 3.97Å; N326-V328 VanDerWaalsContact C-N 3.3Å; N326-V328 PolarHBondContact O-N 2.95Å; N326-V328 PolarHBondContact OD1-N 3.42Å
329	V	75.9	Confident	76.4	Confident	47 Å²	47	34.9 Å²	34.9	29%	0.285	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-14.1	173	-67.3	0	0	0	0	113.7	P299 N326 E331	P299-V329 HydrophobicContact CG-CG1 3.89Å; N326-V329 HydrophobicContact CB-CG2 3.71Å; V329-E331 HydrophobicContact CB-CG 4.12Å; V329-E331 HydrophobicContact CG2-CB 3.8Å; V329-E331 HydrophobicContact CG2-CG 3.87Å
330	K	76.8	Confident	74.7	Confident	96 Å²	96	37.7 Å²	37.7	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	40.3	-174.1	-55.4	179	177.3	179.8	0	113.7	Y325 N326 Q348 E627	Y325-K330 WeakPolarHBondContact OH-CA 3.08Å; Y325-K330 WeakPolarHBondContact OH-CB 3.49Å; N326-K330 WeakPolarHBondContact O-CA 2.84Å; N326-K330 PolarHBondContact O-N 3.16Å; K330-Q348 PolarHBondContact O-NE2 2.85Å; K330-E627 IonicContact NZ-OE2 3.27Å; K330-E627 PolarHBondContact NZ-OE2 3.3Å
331	E	72.2	Confident	72.8	Confident	86 Å²	86	42.5 Å²	42.5	40%	0.402	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.4	-176.9	-64	179.3	166.7	0	0	112.5	Y325 N326 V329	Y325-E331 WeakPolarHBondContact CA-O 3.23Å; Y325-E331 VanDerWaalsContact CD2-O 3.25Å; Y325-E331 WeakPolarHBondContact CD2-O 3.32Å; N326-E331 PolarHBondContact N-O 3.05Å; N326-E331 PolarHBondContact O-N 3.24Å; V329-E331 HydrophobicContact CB-CG 4.12Å; V329-E331 HydrophobicContact CG2-CB 3.8Å; V329-E331 HydrophobicContact CG2-CG 3.87Å
332	W	77.1	Confident	70.8	Confident	32 Å²	32	49.1 Å²	49.1	12%	0.121	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.7	175.7	-78.9	101	0	0	0	110.8	V308 Q323 V324 Y325 A619 C628 V631	V308-W332 HydrophobicContact CG2-CH2 3.67Å; V308-W332 HydrophobicContact CG2-CZ3 3.72Å; Q323-W332 HydrophobicContact CB-CE3 3.71Å; Q323-W332 HydrophobicContact CB-CZ3 3.79Å; V324-W332 CarbonylContact O-C 3.58Å; V324-W332 WeakPolarHBondContact O-CA 3.43Å; Y325-W332 AromaticContact CD2-CD1 3.58Å; Y325-W332 AromaticContact CD2-CD2 3.73Å; Y325-W332 HydrophobicContact CD2-CD2 3.73Å; Y325-W332 AromaticContact CD2-CE2 3.51Å; Y325-W332 HydrophobicContact CD2-CE3 4.47Å; Y325-W332 AromaticContact CD2-CG 3.8Å; Y325-W332 HydrophobicContact CD2-CG 3.8Å; Y325-W332 HydrophobicContact CD2-CZ2 4.13Å; Y325-W332 AromaticContact CD2-NE1 3.37Å; Y325-W332 AromaticContact CE2-CD1 3.97Å; Y325-W332 AromaticContact CE2-NE1 3.79Å; Y325-W332 HydrophobicContact CG-CD2 4.24Å; Y325-W332 HydrophobicContact CG-CZ2 4.19Å; W332-A619 HydrophobicContact CZ2-CB 4.16Å; W332-C628 PolarHBondContact NE1-SG 2.91Å; W332-V631 HydrophobicContact CB-CB 4.33Å; W332-V631 HydrophobicContact CB-CG1 4.38Å; W332-V631 HydrophobicContact CB-CG2 4.26Å
333	T	76.9	Confident	68.6	Low	25 Å²	25	51.5 Å²	51.5	15%	0.153	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.3	174.6	-58.1	0	0	0	0	110.3	Q323 V324	Q323-T333 WeakPolarHBondContact CA-O 3.35Å; V324-T333 PolarHBondContact N-O 2.98Å; V324-T333 PolarHBondContact O-N 2.78Å
334	L	76.3	Confident	66.1	Low	5 Å²	5	57.3 Å²	57.3	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.8	176.6	-177.6	71.3	0	0	0	111.5	A321 Q323 T336 Q341 L343 F634	A321-L334 HydrophobicContact CB-CD1 4.1Å; Q323-L334 HydrophobicContact CG-CD1 3.55Å; L334-T336 HydrophobicContact CD1-CG2 4.36Å; L334-T336 HydrophobicContact CD2-CG2 3.8Å; L334-T336 HydrophobicContact CG-CG2 3.82Å; L334-Q341 PolarHBondContact O-N 3.3Å; L334-L343 HydrophobicContact CB-CD1 3.71Å; L334-L343 HydrophobicContact CD2-CD1 3.42Å; L334-L343 VanDerWaalsContact CD2-CD1 3.42Å; L334-L343 HydrophobicContact CG-CD1 4.19Å; L334-F634 HydrophobicContact CD1-CE2 4.32Å; L334-F634 HydrophobicContact CD2-CE2 3.94Å; L334-F634 HydrophobicContact CD2-CZ 3.99Å
335	W	76.9	Confident	63.5	Low	9 Å²	9	57.9 Å²	57.9	3%	0.034	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134	171.7	-60.3	82.3	0	0	0	109.4	A321 V322 Q340 L415 I416 P654	A321-W335 CarbonylContact C-O 3.55Å; A321-W335 VanDerWaalsContact CA-O 3.25Å; A321-W335 WeakPolarHBondContact CA-O 3.44Å; V322-W335 HydrophobicContact CB-CB 4.41Å; V322-W335 PolarHBondContact N-O 2.83Å; V322-W335 WeakPolarHBondContact O-CB 3.23Å; V322-W335 PolarHBondContact O-N 3.43Å; W335-Q340 HydrophobicContact CD2-CG 4.43Å; W335-Q340 HydrophobicContact CE3-CG 3.81Å; W335-Q340 HydrophobicContact CH2-CG 4.17Å; W335-Q340 VanDerWaalsContact CH2-NE2 3.32Å; W335-Q340 HydrophobicContact CZ3-CG 3.67Å; W335-Q340 VanDerWaalsContact CZ3-NE2 3.31Å; W335-L415 HydrophobicContact CE3-CB 4.42Å; W335-L415 HydrophobicContact CH2-CB 3.77Å; W335-L415 HydrophobicContact CH2-CD2 4.02Å; W335-L415 HydrophobicContact CZ3-CB 3.58Å; W335-I416 HydrophobicContact CB-CD1 4.27Å; W335-I416 HydrophobicContact CD2-CD1 4.25Å; W335-I416 HydrophobicContact CG-CD1 4.01Å; W335-P654 HydrophobicContact CH2-CB 3.67Å; W335-P654 HydrophobicContact CH2-CG 3.67Å; W335-P654 HydrophobicContact CZ2-CB 4.29Å; W335-P654 HydrophobicContact CZ2-CG 3.95Å
336	T	72.2	Confident	60.8	Low	25 Å²	25	64.4 Å²	64.4	15%	0.153	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	169.2	177.5	75.7	0	0	0	0	110.8	L334 N338 S339 N414	L334-T336 HydrophobicContact CD1-CG2 4.36Å; L334-T336 HydrophobicContact CD2-CG2 3.8Å; L334-T336 HydrophobicContact CG-CG2 3.82Å; T336-N338 PolarHBondContact O-N 2.85Å; T336-N338 VanDerWaalsContact O-N 3.13Å; T336-N338 PolarHBondContact OG1-N 3.18Å; T336-S339 PolarHBondContact OG1-O 3.36Å; T336-N414 PolarHBondContact O-OD1 2.82Å
337	E	65	Low	58.3	Low	72 Å²	72	67.2 Å²	67.2	34%	0.336	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-34.8	170.5	-63.9	169.2	153	0	0	112.8	A320 S339 N414 K421	A320-E337 HydrophobicContact CB-CG 3.56Å; A320-E337 WeakPolarHBondContact CB-OE1 3.47Å; E337-S339 PolarHBondContact O-N 3.14Å; E337-N414 PolarHBondContact O-ND2 3.37Å; E337-K421 VanDerWaalsContact CD-CE 3.43Å; E337-K421 WeakPolarHBondContact OE1-CE 3.26Å; E337-K421 IonicContact OE1-NZ 2.85Å; E337-K421 WeakPolarHBondContact OE2-CE 3.31Å; E337-K421 IonicContact OE2-NZ 3.66Å; E337-K421 PolarHBondContact OE2-NZ 3.12Å
338	N	57.1	Low	56.2	Low	128 Å²	128	67.8 Å²	67.8	68%	0.684	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	52.2	-171	-63.4	-47.6	0	0	0	112.8	T336	T336-N338 PolarHBondContact O-N 2.85Å; T336-N338 VanDerWaalsContact O-N 3.13Å; T336-N338 PolarHBondContact OG1-N 3.18Å
339	S	51.6	Low	53.9	Low	49 Å²	49	72.4 Å²	72.4	34%	0.343	37%	0.367	S	S	.	.			trans	72.1	166.9	-179	-50.2	0	0	0	0	115.5	T336 E337	T336-S339 PolarHBondContact OG1-O 3.36Å; E337-S339 PolarHBondContact O-N 3.14Å
340	Q	46.7	Very low	51.8	Low	70 Å²	70	72.3 Å²	72.3	33%	0.327	37%	0.369	S	S	.	.			trans	-59.4	134.4	169.1	-67.1	165.6	4.9	0	0	110.8	W335	W335-Q340 HydrophobicContact CD2-CG 4.43Å; W335-Q340 HydrophobicContact CE3-CG 3.81Å; W335-Q340 HydrophobicContact CH2-CG 4.17Å; W335-Q340 VanDerWaalsContact CH2-NE2 3.32Å; W335-Q340 HydrophobicContact CZ3-CG 3.67Å; W335-Q340 VanDerWaalsContact CZ3-NE2 3.31Å
341	Q	44.6	Very low	49.9	Very low	107 Å²	107	71.3 Å²	71.3	50%	0.5	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-120.1	110.2	161.2	-70	-169.8	-4	0	0	108.9	L334 L343	L334-Q341 PolarHBondContact O-N 3.3Å; Q341-L343 VanDerWaalsContact C-N 3.28Å; Q341-L343 HydrophobicContact CB-CD1 3.8Å; Q341-L343 HydrophobicContact CB-CG 4.03Å; Q341-L343 PolarHBondContact O-N 2.91Å
342	F	40.8	Very low	48.1	Very low	143 Å²	143	71.4 Å²	71.4	63%	0.627	37%	0.368	S	S	*	.			trans	-65.4	91.3	165.8	-78.1	-84.4	0	0	0	108.7	I344	F342-I344 VanDerWaalsContact C-N 3.26Å; F342-I344 PolarHBondContact O-N 2.8Å
343	L	37.5	Very low	45.9	Very low	52 Å²	52	72.8 Å²	72.8	27%	0.272	38%	0.377	S	S	.	.			trans	-87.4	73.8	-178.4	-79.7	147.6	0	0	0	109.6	L334 Q341 P345 V631 I632	L334-L343 HydrophobicContact CB-CD1 3.71Å; L334-L343 HydrophobicContact CD2-CD1 3.42Å; L334-L343 VanDerWaalsContact CD2-CD1 3.42Å; L334-L343 HydrophobicContact CG-CD1 4.19Å; Q341-L343 VanDerWaalsContact C-N 3.28Å; Q341-L343 HydrophobicContact CB-CD1 3.8Å; Q341-L343 HydrophobicContact CB-CG 4.03Å; Q341-L343 PolarHBondContact O-N 2.91Å; L343-P345 WeakPolarHBondContact O-CD 3.41Å; L343-V631 HydrophobicContact CB-CG1 4.38Å; L343-I632 HydrophobicContact CB-CD1 3.98Å; L343-I632 HydrophobicContact CD1-CD1 3.48Å; L343-I632 VanDerWaalsContact CD1-CD1 3.48Å; L343-I632 HydrophobicContact CD2-CD1 3.8Å; L343-I632 HydrophobicContact CG-CD1 3.91Å
344	I	31.4	Very low	44	Very low	137 Å²	137	76.2 Å²	76.2	70%	0.703	39%	0.392	S	S	*	.			trans	-48.1	121.8	169.7	-58.3	174.3	0	0	0	108.1	F342 T346	F342-I344 VanDerWaalsContact C-N 3.26Å; F342-I344 PolarHBondContact O-N 2.8Å; I344-T346 PolarHBondContact O-N 3.44Å; I344-T346 VanDerWaalsContact O-N 3.08Å
345	P	29.3	Very low	42.2	Very low	15 Å²	15	81.9 Å²	81.9	10%	0.097	42%	0.422	C	S	.	.			trans	-63.3	116.2	175.5	-17.3	29.4	0	0	0	108.8	L343 N347 Q348 V631	L343-P345 WeakPolarHBondContact O-CD 3.41Å; P345-N347 PolarHBondContact O-N 3.5Å; P345-Q348 HydrophobicContact CB-CB 4.06Å; P345-Q348 HydrophobicContact CB-CG 3.99Å; P345-Q348 HydrophobicContact CG-CB 4.29Å; P345-Q348 HydrophobicContact CG-CG 3.92Å; P345-Q348 PolarHBondContact O-N 3.06Å; P345-V631 HydrophobicContact CB-CG2 4.15Å; P345-V631 HydrophobicContact CG-CG2 3.7Å
346	T	28.5	Very low	40.1	Very low	138 Å²	138	85.2 Å²	85.2	85%	0.847	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	1.2	178	29.4	0	0	0	0	114	I344	I344-T346 PolarHBondContact O-N 3.44Å; I344-T346 VanDerWaalsContact O-N 3.08Å
347	N	28.9	Very low	38.1	Very low	81 Å²	81	86.3 Å²	86.3	43%	0.433	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	7.6	171.4	-78	-46	0	0	0	114.4	P345 S350 H351 N630	P345-N347 PolarHBondContact O-N 3.5Å; N347-S350 PolarHBondContact O-N 2.9Å; N347-S350 PolarHBondContact O-OG 3.16Å; N347-H351 PolarHBondContact O-N 2.96Å; N347-N630 WeakPolarHBondContact CB-ND2 3.39Å
348	Q	34.7	Very low	36.7	Very low	56 Å²	56	87 Å²	87	26%	0.262	45%	0.454	S	S	.	.	H	α-helix	trans	-76.1	-24.8	173.5	-104.5	-175.2	-8.3	0	0	113	K330 P345 S350 L352	K330-Q348 PolarHBondContact O-NE2 2.85Å; P345-Q348 HydrophobicContact CB-CB 4.06Å; P345-Q348 HydrophobicContact CB-CG 3.99Å; P345-Q348 HydrophobicContact CG-CB 4.29Å; P345-Q348 HydrophobicContact CG-CG 3.92Å; P345-Q348 PolarHBondContact O-N 3.06Å; Q348-S350 VanDerWaalsContact C-N 3.29Å; Q348-S350 PolarHBondContact O-N 3.05Å; Q348-L352 PolarHBondContact O-N 2.89Å
349	Q	32.7	Very low	35.7	Very low	148 Å²	148	88.3 Å²	88.3	69%	0.692	45%	0.454	S	S	*	.	H	α-helix	trans	-57.1	-45	165.9	-72.4	-173.5	-10	0	0	110.8	L353	Q349-L353 WeakPolarHBondContact O-CB 3.47Å; Q349-L353 WeakPolarHBondContact O-CD1 3.38Å; Q349-L353 WeakPolarHBondContact O-CG 3.28Å; Q349-L353 PolarHBondContact O-N 3.35Å
350	S	31.8	Very low	34.9	Very low	45 Å²	45	87.4 Å²	87.4	32%	0.315	45%	0.447	S	S	.	.	H	α-helix	trans	-75	-26.3	-173	54.3	0	0	0	0	114.6	N347 Q348 Q354	N347-S350 PolarHBondContact O-N 2.9Å; N347-S350 PolarHBondContact O-OG 3.16Å; Q348-S350 VanDerWaalsContact C-N 3.29Å; Q348-S350 PolarHBondContact O-N 3.05Å; S350-Q354 WeakPolarHBondContact O-CB 3.29Å; S350-Q354 WeakPolarHBondContact O-CG 3.38Å; S350-Q354 PolarHBondContact O-N 2.88Å
351	H	35.6	Very low	34.5	Very low	75 Å²	75	90.1 Å²	90.1	35%	0.347	46%	0.462	S	S	.	.	H	α-helix	trans	-82.2	-39	177.5	-93.3	-66.9	0	0	0	114.5	N347 L353 Q354 N355 Y629	N347-H351 PolarHBondContact O-N 2.96Å; H351-L353 VanDerWaalsContact C-N 3.32Å; H351-Q354 PolarHBondContact CE1-OE1 2.99Å; H351-Q354 VanDerWaalsContact CE1-OE1 3.26Å; H351-Q354 PolarHBondContact ND1-OE1 3.01Å; H351-Q354 PolarHBondContact O-N 2.78Å; H351-Q354 VanDerWaalsContact O-N 3.16Å; H351-N355 PolarHBondContact O-N 3.3Å; H351-Y629 AromaticContact NE2-CD1 3.95Å
352	L	34.7	Very low	34.2	Very low	88 Å²	88	91.5 Å²	91.5	46%	0.461	47%	0.473	S	S	.	.	H	α-helix	trans	-69.7	-32.9	170.1	-82.7	155.9	0	0	0	111.3	Q348 F376	Q348-L352 PolarHBondContact O-N 2.89Å; L352-F376 HydrophobicContact CB-CE1 4.44Å; L352-F376 HydrophobicContact CB-CE2 4Å; L352-F376 HydrophobicContact CB-CZ 3.77Å; L352-F376 HydrophobicContact CD1-CE2 3.83Å; L352-F376 HydrophobicContact CD1-CZ 3.64Å; L352-F376 HydrophobicContact CD2-CE2 4.4Å; L352-F376 HydrophobicContact CG-CE2 4.28Å; L352-F376 HydrophobicContact CG-CZ 4.25Å
353	L	31.6	Very low	34	Very low	60 Å²	60	89.8 Å²	89.8	31%	0.314	47%	0.47	S	S	.	.	H	α-helix	trans	-57.5	-52.3	161.9	-82	167.7	0	0	0	111.4	Q349 H351 N355 L356 L357 V373	Q349-L353 WeakPolarHBondContact O-CB 3.47Å; Q349-L353 WeakPolarHBondContact O-CD1 3.38Å; Q349-L353 WeakPolarHBondContact O-CG 3.28Å; Q349-L353 PolarHBondContact O-N 3.35Å; H351-L353 VanDerWaalsContact C-N 3.32Å; L353-N355 PolarHBondContact O-N 2.72Å; L353-L356 PolarHBondContact O-N 2.9Å; L353-L356 VanDerWaalsContact O-N 3.15Å; L353-L357 HydrophobicContact CB-CD1 3.9Å; L353-L357 HydrophobicContact CB-CG 4.31Å; L353-L357 HydrophobicContact CD2-CD1 4.31Å; L353-L357 HydrophobicContact CD2-CG 4.33Å; L353-L357 WeakPolarHBondContact O-CB 3.33Å; L353-L357 WeakPolarHBondContact O-CG 3.2Å; L353-L357 PolarHBondContact O-N 2.83Å; L353-V373 HydrophobicContact CD2-CG2 3.71Å
354	Q	36	Very low	33.9	Very low	97 Å²	97	93.4 Å²	93.4	45%	0.453	50%	0.5	S	S	.	.	H	α-helix	trans	-56.2	-43.6	-173.6	-92.7	-176.3	-10	0	0	114	S350 H351 L356 T358	S350-Q354 WeakPolarHBondContact O-CB 3.29Å; S350-Q354 WeakPolarHBondContact O-CG 3.38Å; S350-Q354 PolarHBondContact O-N 2.88Å; H351-Q354 PolarHBondContact CE1-OE1 2.99Å; H351-Q354 VanDerWaalsContact CE1-OE1 3.26Å; H351-Q354 PolarHBondContact ND1-OE1 3.01Å; H351-Q354 PolarHBondContact O-N 2.78Å; H351-Q354 VanDerWaalsContact O-N 3.16Å; Q354-L356 PolarHBondContact O-N 3.34Å; Q354-T358 VanDerWaalsContact O-CB 3.26Å; Q354-T358 WeakPolarHBondContact O-CB 3.41Å; Q354-T358 PolarHBondContact O-N 3.14Å; Q354-T358 PolarHBondContact O-OG1 2.81Å
355	N	38.1	Very low	34.3	Very low	125 Å²	125	92 Å²	92	67%	0.668	49%	0.49	S	S	*	.	H	α-helix	trans	-68.1	-35.4	-179.5	-74.2	-9.3	0	0	0	112.4	H351 L353	H351-N355 PolarHBondContact O-N 3.3Å; L353-N355 PolarHBondContact O-N 2.72Å
356	L	32.9	Very low	34.8	Very low	78 Å²	78	97.1 Å²	97.1	41%	0.408	52%	0.521	S	S	.	.	H	α-helix	trans	-77.9	-38.6	175.4	-72.4	165.7	0	0	0	112.9	L353 Q354 T360	L353-L356 PolarHBondContact O-N 2.9Å; L353-L356 VanDerWaalsContact O-N 3.15Å; Q354-L356 PolarHBondContact O-N 3.34Å; L356-T360 WeakPolarHBondContact O-CB 3.45Å; L356-T360 PolarHBondContact O-N 2.88Å; L356-T360 VanDerWaalsContact O-N 3.11Å; L356-T360 PolarHBondContact O-OG1 3.35Å
357	L	31.5	Very low	35.5	Very low	49 Å²	49	96.9 Å²	96.9	26%	0.257	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-46.5	176.1	-72.2	176.8	0	0	0	110.9	L353 F359 T360 I361 L369	L353-L357 HydrophobicContact CB-CD1 3.9Å; L353-L357 HydrophobicContact CB-CG 4.31Å; L353-L357 HydrophobicContact CD2-CD1 4.31Å; L353-L357 HydrophobicContact CD2-CG 4.33Å; L353-L357 WeakPolarHBondContact O-CB 3.33Å; L353-L357 WeakPolarHBondContact O-CG 3.2Å; L353-L357 PolarHBondContact O-N 2.83Å; L357-F359 VanDerWaalsContact C-N 3.28Å; L357-F359 PolarHBondContact O-N 2.92Å; L357-T360 PolarHBondContact O-N 3.27Å; L357-I361 HydrophobicContact CB-CD1 4.31Å; L357-I361 WeakPolarHBondContact O-CB 3.45Å; L357-I361 WeakPolarHBondContact O-CD1 3.35Å; L357-I361 WeakPolarHBondContact O-CG1 3.23Å; L357-I361 PolarHBondContact O-N 3.39Å; L357-L369 HydrophobicContact CD2-CD1 3.58Å; L357-L369 HydrophobicContact CD2-CD2 3.83Å; L357-L369 HydrophobicContact CD2-CG 3.71Å
358	T	35.8	Very low	36.1	Very low	85 Å²	85	98.2 Å²	98.2	52%	0.521	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-34	-177.5	-52.1	0	0	0	0	111.6	Q354	Q354-T358 VanDerWaalsContact O-CB 3.26Å; Q354-T358 WeakPolarHBondContact O-CB 3.41Å; Q354-T358 PolarHBondContact O-N 3.14Å; Q354-T358 PolarHBondContact O-OG1 2.81Å
359	F	36.2	Very low	36.2	Very low	157 Å²	157	98.8 Å²	98.8	69%	0.689	52%	0.521	S	S	*	.	H	α-helix	trans	-71.1	-34.2	172.5	-127.5	-90.8	0	0	0	112.9	L357	L357-F359 VanDerWaalsContact C-N 3.28Å; L357-F359 PolarHBondContact O-N 2.92Å
360	T	34.4	Very low	36.7	Very low	30 Å²	30	97 Å²	97	18%	0.184	51%	0.513	C	S	.	.	H	α-helix	trans	-83.9	-30.6	-177	-49.4	0	0	0	0	112.9	L356 L357 N362 N363 K368 L369	L356-T360 WeakPolarHBondContact O-CB 3.45Å; L356-T360 PolarHBondContact O-N 2.88Å; L356-T360 VanDerWaalsContact O-N 3.11Å; L356-T360 PolarHBondContact O-OG1 3.35Å; L357-T360 PolarHBondContact O-N 3.27Å; T360-N362 PolarHBondContact O-N 3.43Å; T360-N363 PolarHBondContact O-N 3.04Å; T360-K368 HydrophobicContact CG2-CB 4.13Å; T360-L369 HydrophobicContact CG2-CD1 3.52Å
361	I	36.8	Very low	37.3	Very low	127 Å²	127	98.4 Å²	98.4	65%	0.651	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-26.9	177.9	-74.6	163.3	0	0	0	112	L357 N363	L357-I361 HydrophobicContact CB-CD1 4.31Å; L357-I361 WeakPolarHBondContact O-CB 3.45Å; L357-I361 WeakPolarHBondContact O-CD1 3.35Å; L357-I361 WeakPolarHBondContact O-CG1 3.23Å; L357-I361 PolarHBondContact O-N 3.39Å; I361-N363 VanDerWaalsContact C-N 3.27Å; I361-N363 PolarHBondContact O-N 3.43Å
362	N	40.3	Very low	37.5	Very low	135 Å²	135	96.3 Å²	96.3	72%	0.722	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	2	174	-73.7	-24.7	0	0	0	114.5	T360	T360-N362 PolarHBondContact O-N 3.43Å
363	N	35.4	Very low	38	Very low	107 Å²	107	94.9 Å²	94.9	57%	0.572	51%	0.507	S	S	*	.	S	Bend	trans	-135.9	119.7	176.6	-85.5	-74.8	0	0	0	111.8	T360 I361 Q365	T360-N363 PolarHBondContact O-N 3.04Å; I361-N363 VanDerWaalsContact C-N 3.27Å; I361-N363 PolarHBondContact O-N 3.43Å; N363-Q365 VanDerWaalsContact C-N 3.28Å; N363-Q365 PolarHBondContact O-N 3.47Å
364	S	35.1	Very low	38.7	Very low	128 Å²	128	96.1 Å²	96.1	90%	0.895	51%	0.514	S	S	*	.			trans	-75.6	60.1	-166.5	63.7	0	0	0	0	115.3
365	Q	40.6	Very low	39.1	Very low	109 Å²	109	93 Å²	93	51%	0.509	50%	0.502	S	S	.	.			trans	-137.2	89.3	177	-71.2	-174.5	-26.9	0	0	111.3	N363 N367 K368	N363-Q365 VanDerWaalsContact C-N 3.28Å; N363-Q365 PolarHBondContact O-N 3.47Å; Q365-N367 PolarHBondContact O-N 3.36Å; Q365-N367 VanDerWaalsContact O-N 3.1Å; Q365-K368 HydrophobicContact CB-CD 4.24Å; Q365-K368 HydrophobicContact CB-CG 4.44Å; Q365-K368 PolarHBondContact O-N 2.87Å
366	T	40.3	Very low	39.4	Very low	122 Å²	122	89.8 Å²	89.8	75%	0.748	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.6	179.2	38.1	0	0	0	0	114.3	K368 L369	T366-K368 PolarHBondContact O-N 3.28Å; T366-L369 WeakPolarHBondContact O-CB 3.5Å; T366-L369 PolarHBondContact O-N 2.94Å; T366-L369 VanDerWaalsContact O-N 3.13Å
367	N	43.5	Very low	40.1	Very low	133 Å²	133	88.8 Å²	88.8	71%	0.711	48%	0.482	S	S	*	.	H	α-helix	trans	-61.8	-25.9	179.4	-64.2	9.2	0	0	0	113.5	Q365 L369 D371	Q365-N367 PolarHBondContact O-N 3.36Å; Q365-N367 VanDerWaalsContact O-N 3.1Å; N367-L369 VanDerWaalsContact C-N 3.3Å; N367-L369 PolarHBondContact O-N 3.04Å; N367-D371 PolarHBondContact O-N 2.64Å
368	K	41.2	Very low	41	Very low	109 Å²	109	90.9 Å²	90.9	47%	0.474	49%	0.486	S	S	.	.	H	α-helix	trans	-73.2	-22.4	178	-74.6	177.3	170.2	162.7	0	113.3	T360 Q365 T366 A372	T360-K368 HydrophobicContact CG2-CB 4.13Å; Q365-K368 HydrophobicContact CB-CD 4.24Å; Q365-K368 HydrophobicContact CB-CG 4.44Å; Q365-K368 PolarHBondContact O-N 2.87Å; T366-K368 PolarHBondContact O-N 3.28Å; K368-A372 PolarHBondContact O-N 3.23Å
369	L	36.4	Very low	41.4	Very low	67 Å²	67	88.3 Å²	88.3	35%	0.351	47%	0.469	S	S	.	.	H	α-helix	trans	-68.2	-47.4	179.2	-139.8	76.3	0	0	0	110.7	L357 T360 T366 N367 A372 V373	L357-L369 HydrophobicContact CD2-CD1 3.58Å; L357-L369 HydrophobicContact CD2-CD2 3.83Å; L357-L369 HydrophobicContact CD2-CG 3.71Å; T360-L369 HydrophobicContact CG2-CD1 3.52Å; T366-L369 WeakPolarHBondContact O-CB 3.5Å; T366-L369 PolarHBondContact O-N 2.94Å; T366-L369 VanDerWaalsContact O-N 3.13Å; N367-L369 VanDerWaalsContact C-N 3.3Å; N367-L369 PolarHBondContact O-N 3.04Å; L369-A372 PolarHBondContact O-N 3Å; L369-V373 WeakPolarHBondContact O-CG2 3.47Å; L369-V373 PolarHBondContact O-N 3Å
370	Q	43.2	Very low	41.9	Very low	111 Å²	111	83.9 Å²	83.9	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-67.1	-45.7	-178.8	-166.3	64.3	47.1	0	0	111.3	A372 V373 D374	Q370-A372 PolarHBondContact O-N 3.42Å; Q370-V373 PolarHBondContact O-N 3.05Å; Q370-V373 VanDerWaalsContact O-N 3.12Å; Q370-D374 PolarHBondContact NE2-OD1 3.21Å; Q370-D374 WeakPolarHBondContact O-CB 3.38Å; Q370-D374 PolarHBondContact O-N 3.25Å
371	D	44.1	Very low	42.3	Very low	75 Å²	75	86.8 Å²	86.8	40%	0.401	47%	0.467	S	S	.	.	H	α-helix	trans	-46.8	-45.2	172.4	-96.7	12.5	0	0	0	112.6	K279 N367 T375	K279-D371 IonicContact NZ-OD2 2.69Å; K279-D371 PolarHBondContact NZ-OD2 3.45Å; N367-D371 PolarHBondContact O-N 2.64Å; D371-T375 WeakPolarHBondContact O-CB 3.44Å; D371-T375 PolarHBondContact O-N 3.23Å; D371-T375 VanDerWaalsContact O-N 3.12Å; D371-T375 PolarHBondContact O-OG1 2.68Å
372	A	40.3	Very low	42.7	Very low	31 Å²	31	82.9 Å²	82.9	26%	0.256	45%	0.445	S	S	.	.	H	α-helix	trans	-71.6	-42.5	-178.7	0	0	0	0	0	112.4	K368 L369 Q370 F376	K368-A372 PolarHBondContact O-N 3.23Å; L369-A372 PolarHBondContact O-N 3Å; Q370-A372 PolarHBondContact O-N 3.42Å; A372-F376 WeakPolarHBondContact O-CB 3.29Å; A372-F376 PolarHBondContact O-N 3.37Å
373	V	43.5	Very low	42.8	Very low	57 Å²	57	81.7 Å²	81.7	35%	0.345	43%	0.431	S	S	.	.	H	α-helix	trans	-66.1	-44.6	178	175.1	0	0	0	0	111.4	L353 L369 Q370 T375 F376 S377	L353-V373 HydrophobicContact CD2-CG2 3.71Å; L369-V373 WeakPolarHBondContact O-CG2 3.47Å; L369-V373 PolarHBondContact O-N 3Å; Q370-V373 PolarHBondContact O-N 3.05Å; Q370-V373 VanDerWaalsContact O-N 3.12Å; V373-T375 PolarHBondContact O-N 3.01Å; V373-F376 PolarHBondContact O-N 2.83Å; V373-S377 VanDerWaalsContact O-CB 3.26Å; V373-S377 WeakPolarHBondContact O-CB 3.4Å; V373-S377 PolarHBondContact O-N 2.92Å
374	D	47.3	Very low	43	Very low	86 Å²	86	81 Å²	81	46%	0.46	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-41.4	179.1	-68.6	-12.5	0	0	0	110.8	Q370 W378	Q370-D374 PolarHBondContact NE2-OD1 3.21Å; Q370-D374 WeakPolarHBondContact O-CB 3.38Å; Q370-D374 PolarHBondContact O-N 3.25Å; D374-W378 WeakPolarHBondContact O-CB 3.34Å; D374-W378 PolarHBondContact O-N 3.42Å
375	T	45.1	Very low	43	Very low	32 Å²	32	79 Å²	79	20%	0.196	42%	0.42	C	S	.	.	H	α-helix	trans	-66.3	-42	176.6	-53.4	0	0	0	0	111.9	P278 D371 V373 W378 I379	P278-T375 HydrophobicContact CB-CG2 4.44Å; P278-T375 HydrophobicContact CG-CG2 3.89Å; D371-T375 WeakPolarHBondContact O-CB 3.44Å; D371-T375 PolarHBondContact O-N 3.23Å; D371-T375 VanDerWaalsContact O-N 3.12Å; D371-T375 PolarHBondContact O-OG1 2.68Å; V373-T375 PolarHBondContact O-N 3.01Å; T375-W378 PolarHBondContact O-N 3.1Å; T375-I379 HydrophobicContact CG2-CD1 4.06Å; T375-I379 WeakPolarHBondContact O-CG1 3.19Å; T375-I379 PolarHBondContact O-N 2.91Å
376	F	44.3	Very low	42.6	Very low	57 Å²	57	76.7 Å²	76.7	25%	0.25	41%	0.411	C	S	.	.	H	α-helix	trans	-67	-42.5	177.3	-178.2	-102.4	0	0	0	112.4	L352 A372 V373 W378 I379 N380	L352-F376 HydrophobicContact CB-CE1 4.44Å; L352-F376 HydrophobicContact CB-CE2 4Å; L352-F376 HydrophobicContact CB-CZ 3.77Å; L352-F376 HydrophobicContact CD1-CE2 3.83Å; L352-F376 HydrophobicContact CD1-CZ 3.64Å; L352-F376 HydrophobicContact CD2-CE2 4.4Å; L352-F376 HydrophobicContact CG-CE2 4.28Å; L352-F376 HydrophobicContact CG-CZ 4.25Å; A372-F376 WeakPolarHBondContact O-CB 3.29Å; A372-F376 PolarHBondContact O-N 3.37Å; V373-F376 PolarHBondContact O-N 2.83Å; F376-W378 VanDerWaalsContact C-N 3.32Å; F376-W378 PolarHBondContact O-N 3.29Å; F376-I379 PolarHBondContact O-N 3.11Å; F376-N380 VanDerWaalsContact CE1-ND2 3.26Å; F376-N380 WeakPolarHBondContact CE1-ND2 3.3Å; F376-N380 VanDerWaalsContact CZ-ND2 3.27Å; F376-N380 WeakPolarHBondContact CZ-ND2 3.47Å; F376-N380 PolarHBondContact O-N 2.91Å; F376-N380 PolarHBondContact O-ND2 2.95Å
377	S	46.8	Very low	42.1	Very low	58 Å²	58	75.2 Å²	75.2	41%	0.406	40%	0.403	S	S	.	.	H	α-helix	trans	-55.4	-48.2	170.3	177.1	0	0	0	0	110.7	V373 N380 N381	V373-S377 VanDerWaalsContact O-CB 3.26Å; V373-S377 WeakPolarHBondContact O-CB 3.4Å; V373-S377 PolarHBondContact O-N 2.92Å; S377-N380 PolarHBondContact O-N 2.87Å; S377-N381 WeakPolarHBondContact O-CB 3.44Å; S377-N381 PolarHBondContact O-N 3.21Å; S377-N381 PolarHBondContact O-ND2 3.32Å; S377-N381 PolarHBondContact OG-ND2 2.74Å
378	W	49.6	Very low	41.8	Very low	93 Å²	93	72.8 Å²	72.8	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-65.4	-40.8	-178.8	-164.6	92.4	0	0	0	112.9	L281 A282 D374 T375 F376 N380 N381 F382	L281-W378 HydrophobicContact CB-CZ3 3.89Å; L281-W378 VanDerWaalsContact O-CH2 3.25Å; L281-W378 WeakPolarHBondContact O-CH2 3.43Å; A282-W378 HydrophobicContact CB-CD2 4.48Å; A282-W378 HydrophobicContact CB-CZ2 4.44Å; D374-W378 WeakPolarHBondContact O-CB 3.34Å; D374-W378 PolarHBondContact O-N 3.42Å; T375-W378 PolarHBondContact O-N 3.1Å; F376-W378 VanDerWaalsContact C-N 3.32Å; F376-W378 PolarHBondContact O-N 3.29Å; W378-N380 PolarHBondContact O-N 3.08Å; W378-N381 PolarHBondContact O-N 2.9Å; W378-F382 HydrophobicContact CE3-CB 3.96Å; W378-F382 HydrophobicContact CE3-CG 4.36Å; W378-F382 HydrophobicContact CH2-CB 4.13Å; W378-F382 HydrophobicContact CH2-CD1 4.45Å; W378-F382 AromaticContact CH2-CD2 3.35Å; W378-F382 HydrophobicContact CH2-CD2 3.35Å; W378-F382 AromaticContact CH2-CE2 3.76Å; W378-F382 HydrophobicContact CH2-CE2 3.76Å; W378-F382 AromaticContact CH2-CG 3.75Å; W378-F382 HydrophobicContact CH2-CG 3.75Å; W378-F382 HydrophobicContact CH2-CZ 4.45Å; W378-F382 AromaticContact CZ2-CD2 3.96Å; W378-F382 HydrophobicContact CZ2-CD2 3.96Å; W378-F382 HydrophobicContact CZ3-CB 3.73Å; W378-F382 HydrophobicContact CZ3-CD1 4.13Å; W378-F382 AromaticContact CZ3-CD2 3.77Å; W378-F382 HydrophobicContact CZ3-CD2 3.77Å; W378-F382 HydrophobicContact CZ3-CE2 4.38Å; W378-F382 AromaticContact CZ3-CG 3.62Å; W378-F382 HydrophobicContact CZ3-CG 3.62Å; W378-F382 VanDerWaalsContact O-CB 3.25Å; W378-F382 WeakPolarHBondContact O-CB 3.4Å; W378-F382 PolarHBondContact O-N 2.69Å
379	I	45.9	Very low	41.4	Very low	31 Å²	31	74.3 Å²	74.3	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-42.6	177.5	-70.5	164.2	0	0	0	111.7	P278 L281 T375 F376 F382 R383	P278-I379 HydrophobicContact CB-CD1 4.17Å; P278-I379 HydrophobicContact CG-CD1 4.44Å; L281-I379 HydrophobicContact CD1-CD1 4.2Å; L281-I379 HydrophobicContact CD1-CG1 4.02Å; T375-I379 HydrophobicContact CG2-CD1 4.06Å; T375-I379 WeakPolarHBondContact O-CG1 3.19Å; T375-I379 PolarHBondContact O-N 2.91Å; F376-I379 PolarHBondContact O-N 3.11Å; I379-F382 PolarHBondContact O-N 3.15Å; I379-R383 PolarHBondContact O-N 3.19Å
380	N	45	Very low	41.1	Very low	64 Å²	64	73.9 Å²	73.9	34%	0.342	42%	0.42	S	S	.	.	H	α-helix	trans	-69.3	-41.9	177.4	-71.1	-39.4	0	0	0	112	F376 S377 W378 F382 R383 S384	F376-N380 VanDerWaalsContact CE1-ND2 3.26Å; F376-N380 WeakPolarHBondContact CE1-ND2 3.3Å; F376-N380 VanDerWaalsContact CZ-ND2 3.27Å; F376-N380 WeakPolarHBondContact CZ-ND2 3.47Å; F376-N380 PolarHBondContact O-N 2.91Å; F376-N380 PolarHBondContact O-ND2 2.95Å; S377-N380 PolarHBondContact O-N 2.87Å; W378-N380 PolarHBondContact O-N 3.08Å; N380-F382 VanDerWaalsContact C-N 3.34Å; N380-F382 PolarHBondContact O-N 2.92Å; N380-R383 PolarHBondContact O-N 2.97Å; N380-S384 PolarHBondContact O-N 2.91Å; N380-S384 PolarHBondContact O-OG 2.89Å
381	N	44.3	Very low	40.5	Very low	90 Å²	90	73.8 Å²	73.8	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-44.1	173	-75.8	-57.7	0	0	0	111.2	S377 W378 S384 S385	S377-N381 WeakPolarHBondContact O-CB 3.44Å; S377-N381 PolarHBondContact O-N 3.21Å; S377-N381 PolarHBondContact O-ND2 3.32Å; S377-N381 PolarHBondContact OG-ND2 2.74Å; W378-N381 PolarHBondContact O-N 2.9Å; N381-S384 WeakPolarHBondContact CA-OG 3.25Å; N381-S384 CarbonylContact O-C 3.5Å; N381-S384 PolarHBondContact O-N 2.78Å; N381-S384 VanDerWaalsContact O-N 3.14Å; N381-S384 PolarHBondContact O-OG 3.32Å; N381-S385 VanDerWaalsContact O-CB 3.23Å; N381-S385 WeakPolarHBondContact O-CB 3.27Å; N381-S385 PolarHBondContact O-N 3.13Å; N381-S385 PolarHBondContact O-OG 3.01Å; N381-S385 VanDerWaalsContact O-OG 3.12Å
382	F	44.4	Very low	39.7	Very low	45 Å²	45	77.5 Å²	77.5	20%	0.197	44%	0.442	C	S	.	.	H	α-helix	trans	-58.2	-53.5	176.9	-171.6	-112.1	0	0	0	111.1	W378 I379 N380 S384 S385 L386	W378-F382 HydrophobicContact CE3-CB 3.96Å; W378-F382 HydrophobicContact CE3-CG 4.36Å; W378-F382 HydrophobicContact CH2-CB 4.13Å; W378-F382 HydrophobicContact CH2-CD1 4.45Å; W378-F382 AromaticContact CH2-CD2 3.35Å; W378-F382 HydrophobicContact CH2-CD2 3.35Å; W378-F382 AromaticContact CH2-CE2 3.76Å; W378-F382 HydrophobicContact CH2-CE2 3.76Å; W378-F382 AromaticContact CH2-CG 3.75Å; W378-F382 HydrophobicContact CH2-CG 3.75Å; W378-F382 HydrophobicContact CH2-CZ 4.45Å; W378-F382 AromaticContact CZ2-CD2 3.96Å; W378-F382 HydrophobicContact CZ2-CD2 3.96Å; W378-F382 HydrophobicContact CZ3-CB 3.73Å; W378-F382 HydrophobicContact CZ3-CD1 4.13Å; W378-F382 AromaticContact CZ3-CD2 3.77Å; W378-F382 HydrophobicContact CZ3-CD2 3.77Å; W378-F382 HydrophobicContact CZ3-CE2 4.38Å; W378-F382 AromaticContact CZ3-CG 3.62Å; W378-F382 HydrophobicContact CZ3-CG 3.62Å; W378-F382 VanDerWaalsContact O-CB 3.25Å; W378-F382 WeakPolarHBondContact O-CB 3.4Å; W378-F382 PolarHBondContact O-N 2.69Å; I379-F382 PolarHBondContact O-N 3.15Å; N380-F382 VanDerWaalsContact C-N 3.34Å; N380-F382 PolarHBondContact O-N 2.92Å; F382-S384 VanDerWaalsContact C-N 3.25Å; F382-S384 PolarHBondContact O-N 3.41Å; F382-S385 WeakPolarHBondContact CA-OG 3.44Å; F382-S385 PolarHBondContact O-N 2.84Å; F382-S385 PolarHBondContact O-OG 3.18Å; F382-L386 HydrophobicContact CD1-CD1 4.03Å; F382-L386 HydrophobicContact CE1-CD1 3.73Å; F382-L386 HydrophobicContact CE2-CD1 4.33Å; F382-L386 HydrophobicContact CE2-CD2 4.42Å; F382-L386 HydrophobicContact CG-CD1 4.47Å; F382-L386 HydrophobicContact CZ-CD1 3.89Å; F382-L386 HydrophobicContact CZ-CD2 4.49Å; F382-L386 PolarHBondContact O-N 3.15Å
383	R	42.1	Very low	39.1	Very low	110 Å²	110	81.2 Å²	81.2	42%	0.415	47%	0.465	S	S	.	.	H	α-helix	trans	-50.6	-41.6	172.4	-80.2	179.5	168.6	179.2	-3.4	112.9	V297 I379 N380	V297-R383 PolarHBondContact O-NE 3.39Å; V297-R383 PolarHBondContact O-NH2 2.93Å; I379-R383 PolarHBondContact O-N 3.19Å; N380-R383 PolarHBondContact O-N 2.97Å
384	S	39.8	Very low	38.4	Very low	93 Å²	93	88.4 Å²	88.4	65%	0.65	50%	0.495	S	S	*	.	H	α-helix	trans	-80.5	-10.7	-179.1	72.4	0	0	0	0	115.5	N380 N381 F382	N380-S384 PolarHBondContact O-N 2.91Å; N380-S384 PolarHBondContact O-OG 2.89Å; N381-S384 WeakPolarHBondContact CA-OG 3.25Å; N381-S384 CarbonylContact O-C 3.5Å; N381-S384 PolarHBondContact O-N 2.78Å; N381-S384 VanDerWaalsContact O-N 3.14Å; N381-S384 PolarHBondContact O-OG 3.32Å; F382-S384 VanDerWaalsContact C-N 3.25Å; F382-S384 PolarHBondContact O-N 3.41Å
385	S	36.2	Very low	37.5	Very low	85 Å²	85	87.4 Å²	87.4	59%	0.594	51%	0.505	S	S	*	.	H	α-helix	trans	-106	-11.1	-171.3	67.9	0	0	0	0	114.4	N381 F382	N381-S385 VanDerWaalsContact O-CB 3.23Å; N381-S385 WeakPolarHBondContact O-CB 3.27Å; N381-S385 PolarHBondContact O-N 3.13Å; N381-S385 PolarHBondContact O-OG 3.01Å; N381-S385 VanDerWaalsContact O-OG 3.12Å; F382-S385 WeakPolarHBondContact CA-OG 3.44Å; F382-S385 PolarHBondContact O-N 2.84Å; F382-S385 PolarHBondContact O-OG 3.18Å
386	L	32.2	Very low	36.7	Very low	61 Å²	61	93 Å²	93	32%	0.319	53%	0.534	S	S	.	.	S	Bend	trans	-85.8	140	177	-67.4	167.4	0	0	0	110.2	Q294 F382	Q294-L386 HydrophobicContact CB-CD1 4.28Å; Q294-L386 HydrophobicContact CG-CD1 4.1Å; F382-L386 HydrophobicContact CD1-CD1 4.03Å; F382-L386 HydrophobicContact CE1-CD1 3.73Å; F382-L386 HydrophobicContact CE2-CD1 4.33Å; F382-L386 HydrophobicContact CE2-CD2 4.42Å; F382-L386 HydrophobicContact CG-CD1 4.47Å; F382-L386 HydrophobicContact CZ-CD1 3.89Å; F382-L386 HydrophobicContact CZ-CD2 4.49Å; F382-L386 PolarHBondContact O-N 3.15Å
387	P	29.7	Very low	36	Very low	91 Å²	91	96.7 Å²	96.7	59%	0.591	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-65.9	151.6	172.3	30.2	-34.7	0	0	0	110.3
388	P	35.6	Very low	35.1	Very low	83 Å²	83	98.3 Å²	98.3	54%	0.539	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-60.6	143.8	168.3	30.3	-36.3	0	0	0	109.4	G390 L655	P388-G390 PolarHBondContact O-N 3.43Å; P388-L655 HydrophobicContact CB-CD1 3.8Å; P388-L655 HydrophobicContact CB-CD2 4.19Å; P388-L655 HydrophobicContact CG-CD2 4.26Å
389	D	32.8	Very low	34.1	Very low	141 Å²	141	102.5 Å²	102.5	75%	0.754	60%	0.598	S	S	*	*	S	Bend	trans	-54.5	104.5	-167.2	-67.2	-70.5	0	0	0	112.9	Q294	Q294-D389 PolarHBondContact NE2-OD1 2.91Å; Q294-D389 VanDerWaalsContact NE2-OD1 3.15Å; Q294-D389 PolarHBondContact NE2-OD2 3.46Å
390	G	30.8	Very low	33.4	Very low	58 Å²	58	108.1 Å²	108.1	60%	0.598	63%	0.628	S	S	*	*			trans	-144.4	128	-175.6	0	0	0	0	0	109.4	P388 N392	P388-G390 PolarHBondContact O-N 3.43Å; G390-N392 PolarHBondContact O-N 3.46Å; G390-N392 VanDerWaalsContact O-N 3.16Å
391	I	31.3	Very low	32.5	Very low	108 Å²	108	111.5 Å²	111.5	55%	0.554	65%	0.653	S	S	*	*			trans	-71.5	111.4	-165.1	-55.4	171.2	0	0	0	110.9	C393 F666	I391-C393 PolarHBondContact O-N 2.79Å; I391-F666 HydrophobicContact CD1-CE2 4Å; I391-F666 HydrophobicContact CD1-CZ 4.42Å
392	N	26.3	Very low	31.8	Very low	154 Å²	154	112.1 Å²	112.1	82%	0.824	66%	0.66	S	S	*	*			trans	-74.7	86.8	163.9	-85.2	-30.3	0	0	0	109.9	G390 E394	G390-N392 PolarHBondContact O-N 3.46Å; G390-N392 VanDerWaalsContact O-N 3.16Å; N392-E394 PolarHBondContact O-N 2.86Å
393	C	27.6	Very low	31.1	Very low	109 Å²	109	114.9 Å²	114.9	74%	0.736	68%	0.677	S	S	*	*			trans	-74.5	113.9	163	-70.6	0	0	0	0	109.4	I391 G395	I391-C393 PolarHBondContact O-N 2.79Å; C393-G395 PolarHBondContact O-N 2.77Å
394	E	29	Very low	30.5	Very low	207 Å²	207	114.7 Å²	114.7	97%	0.967	68%	0.684	S	S	*	*			trans	-68.8	102.7	169.9	-68.2	-170.9	150.8	0	0	109.7	N392	N392-E394 PolarHBondContact O-N 2.86Å
395	G	29	Very low	30	Very low	66 Å²	66	119 Å²	119	68%	0.68	69%	0.691	S	S	*	*			trans	-140	146.1	179.6	0	0	0	0	0	111.4	C393	C393-G395 PolarHBondContact O-N 2.77Å
396	N	28.6	Very low	29.5	Very low	149 Å²	149	122.5 Å²	122.5	80%	0.797	70%	0.696	S	S	*	*			trans	-47.6	136.1	-165	-87.7	-36	0	0	0	115.8	S398	N396-S398 PolarHBondContact O-N 3.37Å
397	P	30.1	Very low	29.3	Very low	134 Å²	134	124.6 Å²	124.6	87%	0.87	71%	0.706	S	S	*	*			trans	-79.4	79	177.2	33.6	-35.7	0	0	0	111.8
398	S	27.6	Very low	29.1	Very low	92 Å²	92	127.9 Å²	127.9	64%	0.643	72%	0.715	S	S	*	*			trans	-146.7	133.5	172	58.4	0	0	0	0	113.2	N396	N396-S398 PolarHBondContact O-N 3.37Å
399	E	29	Very low	28.8	Very low	181 Å²	181	127.9 Å²	127.9	85%	0.846	72%	0.717	S	S	*	*	S	Bend	trans	85.7	133.2	171.4	-50.3	-156.8	146.3	0	0	119.3
400	L	29.2	Very low	28.5	Very low	150 Å²	150	125.9 Å²	125.9	79%	0.785	71%	0.71	S	S	*	*			trans	67.9	106.5	163.1	-62.4	169.6	0	0	0	119.7	V402	L400-V402 PolarHBondContact O-N 3.27Å
401	P	27.8	Very low	28.6	Very low	135 Å²	135	127.1 Å²	127.1	88%	0.877	71%	0.706	S	S	*	*			trans	-81.1	105.2	171.2	32.6	-32.1	0	0	0	111.7
402	V	29.8	Very low	28.9	Very low	102 Å²	102	129.7 Å²	129.7	62%	0.618	72%	0.716	S	S	*	*			trans	-84.2	125.4	165.6	-178.8	0	0	0	0	109	L400 N404 I407	L400-V402 PolarHBondContact O-N 3.27Å; V402-N404 VanDerWaalsContact C-N 3.33Å; V402-N404 PolarHBondContact O-N 2.83Å; V402-I407 HydrophobicContact CG1-CD1 4.27Å
403	D	28.6	Very low	29.9	Very low	103 Å²	103	127.6 Å²	127.6	55%	0.551	70%	0.704	S	S	*	*			trans	-78.1	79.1	-176.7	-174.7	14.2	0	0	0	111.6	K405 K406	D403-K405 PolarHBondContact O-N 3.47Å; D403-K406 WeakPolarHBondContact O-CB 3.39Å; D403-K406 PolarHBondContact O-N 2.98Å
404	N	30.3	Very low	31.2	Very low	107 Å²	107	124.7 Å²	124.7	57%	0.572	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-54.6	-22.6	-176.6	-72.2	-10.8	0	0	0	114	V402 K406 I407 M408	V402-N404 VanDerWaalsContact C-N 3.33Å; V402-N404 PolarHBondContact O-N 2.83Å; N404-K406 PolarHBondContact O-N 2.84Å; N404-K406 VanDerWaalsContact O-N 3.12Å; N404-I407 PolarHBondContact O-N 2.82Å; N404-I407 VanDerWaalsContact O-N 3.16Å; N404-M408 PolarHBondContact O-N 3.08Å
405	K	27.9	Very low	32.7	Very low	184 Å²	184	117.2 Å²	117.2	80%	0.8	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-63.4	-15.5	175.2	-67.8	-175.9	175.4	-179.2	0	113.5	D403	D403-K405 PolarHBondContact O-N 3.47Å
406	K	27.2	Very low	34.5	Very low	158 Å²	158	114.4 Å²	114.4	69%	0.687	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-98.4	-3.8	179.2	-140.6	172	-170.6	172	0	114.6	D403 N404	D403-K406 WeakPolarHBondContact O-CB 3.39Å; D403-K406 PolarHBondContact O-N 2.98Å; N404-K406 PolarHBondContact O-N 2.84Å; N404-K406 VanDerWaalsContact O-N 3.12Å
407	I	27.8	Very low	36.3	Very low	105 Å²	105	108.6 Å²	108.6	54%	0.538	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.8	-34.1	176.3	-62	173.4	0	0	0	110.1	V402 N404 S409 T410	V402-I407 HydrophobicContact CG1-CD1 4.27Å; N404-I407 PolarHBondContact O-N 2.82Å; N404-I407 VanDerWaalsContact O-N 3.16Å; I407-S409 PolarHBondContact O-N 3.04Å; I407-S409 VanDerWaalsContact O-N 3.1Å; I407-T410 PolarHBondContact O-OG1 2.86Å
408	M	25.7	Very low	38.3	Very low	160 Å²	160	110 Å²	110	79%	0.788	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	2.6	177.5	-60.7	-172.1	77.8	0	0	115	N404	N404-M408 PolarHBondContact O-N 3.08Å
409	S	28.6	Very low	40.7	Very low	82 Å²	82	106 Å²	106	57%	0.573	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	13	-176	74.9	0	0	0	0	114.4	I407	I407-S409 PolarHBondContact O-N 3.04Å; I407-S409 VanDerWaalsContact O-N 3.1Å
410	T	27.5	Very low	43.3	Very low	100 Å²	100	100.3 Å²	100.3	61%	0.613	54%	0.538	S	S	*	.	S	Bend	trans	-132.4	16.6	-173	54.8	0	0	0	0	114.4	I407	I407-T410 PolarHBondContact O-OG1 2.86Å
411	T	31.9	Very low	46	Very low	83 Å²	83	97.8 Å²	97.8	51%	0.509	52%	0.52	S	S	.	.			trans	-138	41	179.6	61.1	0	0	0	0	112.6	D413	T411-D413 WeakPolarHBondContact CA-OD2 3.37Å; T411-D413 PolarHBondContact O-N 3.23Å
412	H	36.9	Very low	49	Very low	162 Å²	162	91.8 Å²	91.8	75%	0.75	48%	0.48	S	S	*	.			trans	-85.3	46.7	161.2	-83	-40.7	0	0	0	109.9	N414	H412-N414 PolarHBondContact O-N 3.13Å
413	D	48	Very low	51.9	Low	110 Å²	110	86.9 Å²	86.9	59%	0.588	45%	0.451	S	S	*	.			trans	-74	114.7	-177.6	-62.5	-58.6	0	0	0	109.3	T411 L415	T411-D413 WeakPolarHBondContact CA-OD2 3.37Å; T411-D413 PolarHBondContact O-N 3.23Å; D413-L415 VanDerWaalsContact C-N 3.35Å; D413-L415 PolarHBondContact O-N 3.31Å
414	N	54.4	Low	54.9	Low	49 Å²	49	84.8 Å²	84.8	26%	0.262	44%	0.435	S	S	.	.			trans	-60.9	100.1	168.3	-77.4	-26.6	0	0	0	107.5	T336 E337 H412 I416 G417	T336-N414 PolarHBondContact O-OD1 2.82Å; E337-N414 PolarHBondContact O-ND2 3.37Å; H412-N414 PolarHBondContact O-N 3.13Å; N414-I416 PolarHBondContact O-N 3.2Å; N414-G417 WeakPolarHBondContact O-CA 3.47Å; N414-G417 PolarHBondContact O-N 3.03Å
415	L	60.4	Low	57.9	Low	49 Å²	49	79.8 Å²	79.8	26%	0.257	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.5	-168.8	-152.8	75.5	0	0	0	113.7	W335 D413 Y452 K650 Y651	W335-L415 HydrophobicContact CE3-CB 4.42Å; W335-L415 HydrophobicContact CH2-CB 3.77Å; W335-L415 HydrophobicContact CH2-CD2 4.02Å; W335-L415 HydrophobicContact CZ3-CB 3.58Å; D413-L415 VanDerWaalsContact C-N 3.35Å; D413-L415 PolarHBondContact O-N 3.31Å; L415-Y452 PolarHBondContact O-OH 2.68Å; L415-K650 HydrophobicContact CD2-CG 3.78Å; L415-K650 WeakPolarHBondContact CD2-O 3.35Å; L415-Y651 HydrophobicContact CD2-CD1 3.8Å; L415-Y651 HydrophobicContact CD2-CE1 3.9Å; L415-Y651 HydrophobicContact CD2-CG 4.49Å; L415-Y651 HydrophobicContact CG-CE1 4.27Å
416	I	67.3	Low	61	Low	7 Å²	7	71.4 Å²	71.4	4%	0.036	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-7	-179.8	-63.1	167	0	0	0	111.9	M307 V322 W335 N414 Y452 W460 Y651	M307-I416 HydrophobicContact CE-CD1 4.09Å; V322-I416 HydrophobicContact CB-CD1 3.85Å; V322-I416 HydrophobicContact CG1-CD1 3.9Å; V322-I416 HydrophobicContact CG2-CD1 4.19Å; V322-I416 HydrophobicContact CG2-CG2 3.95Å; W335-I416 HydrophobicContact CB-CD1 4.27Å; W335-I416 HydrophobicContact CD2-CD1 4.25Å; W335-I416 HydrophobicContact CG-CD1 4.01Å; N414-I416 PolarHBondContact O-N 3.2Å; I416-Y452 HydrophobicContact CG2-CE2 4.48Å; I416-Y452 WeakPolarHBondContact O-CE2 3.29Å; I416-W460 HydrophobicContact CG2-CZ2 4.11Å; I416-W460 PolarHBondContact O-NE1 2.84Å; I416-Y651 HydrophobicContact CD1-CD1 4.33Å; I416-Y651 HydrophobicContact CG1-CD1 4.06Å; I416-Y651 HydrophobicContact CG1-CE1 3.96Å
417	G	66.3	Low	64.2	Low	27 Å²	27	64.7 Å²	64.7	28%	0.278	35%	0.347	S	S	.	.			trans	70.9	-172.1	-176	0	0	0	0	0	113.9	N414 I419	N414-G417 WeakPolarHBondContact O-CA 3.47Å; N414-G417 PolarHBondContact O-N 3.03Å; G417-I419 PolarHBondContact O-N 3.36Å
418	E	72.5	Confident	67.3	Low	163 Å²	163	60.4 Å²	60.4	76%	0.762	33%	0.326	S	S	*	.			trans	-75.4	115.6	173.9	-65.9	178.7	177.9	0	0	110
419	I	78.9	Confident	70.5	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.051	30%	0.3	C	S	.	.			trans	-100.7	117.1	175.7	-174.5	178	0	0	0	110.3	F309 A320 V322 G417 K421 W460	F309-I419 HydrophobicContact CB-CD1 4.24Å; F309-I419 HydrophobicContact CD1-CD1 4.1Å; A320-I419 HydrophobicContact CB-CG2 4.04Å; A320-I419 WeakPolarHBondContact CB-O 3.32Å; V322-I419 HydrophobicContact CG2-CD1 4.24Å; G417-I419 PolarHBondContact O-N 3.36Å; I419-K421 PolarHBondContact O-N 3.32Å; I419-W460 HydrophobicContact CB-CZ2 4.44Å; I419-W460 HydrophobicContact CD1-CH2 4.01Å; I419-W460 HydrophobicContact CD1-CZ2 3.57Å; I419-W460 HydrophobicContact CG1-CD2 4.28Å; I419-W460 HydrophobicContact CG1-CZ2 4.01Å
420	P	81.7	Confident	73.6	Confident	61 Å²	61	52.5 Å²	52.5	40%	0.396	28%	0.28	S	S	.	.			trans	-57.5	119.7	178.6	-28.1	33.9	0	0	0	114	R422 L450	P420-R422 PolarHBondContact O-N 2.86Å; P420-R422 PolarHBondContact O-NE 3.03Å; P420-L450 HydrophobicContact CB-CD1 4.19Å; P420-L450 HydrophobicContact CG-CD1 3.96Å; P420-L450 HydrophobicContact CG-CD2 4.28Å
421	K	87.7	Confident	76.5	Confident	97 Å²	97	51 Å²	51	42%	0.422	28%	0.284	S	S	.	.			trans	-42.2	122.4	-178.5	-61.4	-175.3	-178.9	-175.2	0	112.5	A320 E337 I419	A320-K421 HydrophobicContact CB-CD 4.47Å; A320-K421 HydrophobicContact CB-CG 3.63Å; E337-K421 VanDerWaalsContact CD-CE 3.43Å; E337-K421 WeakPolarHBondContact OE1-CE 3.26Å; E337-K421 IonicContact OE1-NZ 2.85Å; E337-K421 WeakPolarHBondContact OE2-CE 3.31Å; E337-K421 IonicContact OE2-NZ 3.66Å; E337-K421 PolarHBondContact OE2-NZ 3.12Å; I419-K421 PolarHBondContact O-N 3.32Å
422	R	89.6	Confident	79.2	Confident	8 Å²	8	48.4 Å²	48.4	3%	0.03	27%	0.269	C	S	.	.			trans	-160.8	155.6	176.7	60.7	-171.5	65.2	-148.3	2.3	113.3	G310 G311 P420 A425 G438 F440 L446 S448 L450	G310-R422 WeakPolarHBondContact CA-O 3.28Å; G311-R422 PolarHBondContact N-O 3.41Å; P420-R422 PolarHBondContact O-N 2.86Å; P420-R422 PolarHBondContact O-NE 3.03Å; R422-A425 HydrophobicContact CG-CB 4.38Å; R422-G438 PolarHBondContact NH1-O 2.8Å; R422-F440 WeakPolarHBondContact CA-O 3.15Å; R422-L446 HydrophobicContact CB-CD1 4.1Å; R422-S448 PolarHBondContact NH1-OG 3.23Å; R422-S448 VanDerWaalsContact NH1-OG 3.12Å; R422-S448 PolarHBondContact NH2-OG 2.84Å; R422-L450 VanDerWaalsContact NH2-CD1 3.33Å
423	V	90.6	Very high	81.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-134.5	161.2	168.8	67	0	0	0	0	110	W312 P318 A425 G439 F440	W312-V423 HydrophobicContact CB-CG2 4.15Å; W312-V423 HydrophobicContact CE3-CG1 4Å; P318-V423 HydrophobicContact CB-CB 4.47Å; P318-V423 HydrophobicContact CB-CG1 4.29Å; P318-V423 HydrophobicContact CG-CG1 3.99Å; V423-A425 PolarHBondContact O-N 3.46Å; V423-G439 CarbonylContact O-C 3.59Å; V423-G439 WeakPolarHBondContact O-CA 3.44Å; V423-F440 HydrophobicContact CG1-CB 4.16Å; V423-F440 HydrophobicContact CG1-CD1 4.25Å; V423-F440 PolarHBondContact N-O 2.95Å; V423-F440 VanDerWaalsContact N-O 3.09Å; V423-F440 PolarHBondContact O-N 2.84Å
424	Y	91.5	Very high	84	Confident	58 Å²	58	40.4 Å²	40.4	23%	0.227	22%	0.223	C	C	.	.	S	Bend	trans	55.7	20.2	178.9	-40.2	-54.8	0	0	0	115.7	Y471 Y472 S637	Y424-Y471 HydrophobicContact CD2-CD2 4.02Å; Y424-Y471 CarbonylContact O-C 3.56Å; Y424-Y471 WeakPolarHBondContact O-CA 3.42Å; Y424-Y472 AromaticContact CD1-CD1 3.65Å; Y424-Y472 HydrophobicContact CD1-CD1 3.65Å; Y424-Y472 AromaticContact CD1-CE1 3.31Å; Y424-Y472 HydrophobicContact CD1-CE1 3.31Å; Y424-Y472 HydrophobicContact CD2-CD1 4.07Å; Y424-Y472 AromaticContact CD2-CE1 3.48Å; Y424-Y472 HydrophobicContact CD2-CE1 3.48Å; Y424-Y472 VanDerWaalsContact CD2-CE1 3.48Å; Y424-Y472 AromaticContact CD2-CZ 3.74Å; Y424-Y472 HydrophobicContact CE1-CD1 4.36Å; Y424-Y472 AromaticContact CE1-CE1 3.59Å; Y424-Y472 HydrophobicContact CE1-CE1 3.59Å; Y424-Y472 AromaticContact CE2-CE1 3.75Å; Y424-Y472 HydrophobicContact CE2-CE1 3.75Å; Y424-Y472 AromaticContact CE2-CZ 3.83Å; Y424-Y472 AromaticContact CG-CD1 3.5Å; Y424-Y472 HydrophobicContact CG-CD1 3.5Å; Y424-Y472 VanDerWaalsContact CG-CD1 3.5Å; Y424-Y472 AromaticContact CG-CE1 3.27Å; Y424-Y472 HydrophobicContact CG-CE1 3.27Å; Y424-Y472 HydrophobicContact CG-CG 4.38Å; Y424-Y472 AromaticContact CZ-CE1 3.81Å; Y424-Y472 PolarHBondContact O-N 3Å; Y424-S637 PolarHBondContact N-OG 2.89Å
425	A	93.6	Very high	85.9	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.212	C	C	.	.			trans	-74.1	151.5	160.6	0	0	0	0	0	110.1	R422 V423 V436 I437 G438 G439 S637 C638	R422-A425 HydrophobicContact CG-CB 4.38Å; V423-A425 PolarHBondContact O-N 3.46Å; A425-V436 HydrophobicContact CB-CG1 3.86Å; A425-I437 WeakPolarHBondContact CA-O 3.5Å; A425-I437 WeakPolarHBondContact CB-O 3.45Å; A425-G438 VanDerWaalsContact CB-O 3.26Å; A425-G438 WeakPolarHBondContact CB-O 3.28Å; A425-G439 VanDerWaalsContact N-CA 3.35Å; A425-S637 WeakPolarHBondContact CA-OG 3.25Å; A425-S637 WeakPolarHBondContact CB-OG 3.17Å; A425-S637 PolarHBondContact N-OG 2.82Å; A425-S637 CarbonylContact O-C 3.52Å; A425-S637 PolarHBondContact O-OG 3.22Å; A425-C638 VanDerWaalsContact O-CB 3.28Å; A425-C638 WeakPolarHBondContact O-CB 3.5Å
426	G	92.7	Very high	87.6	Confident	8 Å²	8	36 Å²	36	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	164.5	164.9	0	0	0	0	0	111.7	V436 I437	G426-V436 WeakPolarHBondContact O-CA 3.32Å; G426-I437 PolarHBondContact N-O 3.01Å; G426-I437 PolarHBondContact O-N 2.89Å
427	C	94.1	Very high	88.9	Confident	17 Å²	17	35.7 Å²	35.7	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.7	165.3	77	0	0	0	0	113.9	V434 Y435 V436 V475 C638 A639	C427-V434 HydrophobicContact CB-CG2 4.13Å; C427-Y435 CarbonylContact C-O 3.6Å; C427-Y435 WeakPolarHBondContact CA-O 3.22Å; C427-Y435 WeakPolarHBondContact CB-O 3.44Å; C427-V436 HydrophobicContact CB-CB 4.47Å; C427-V436 HydrophobicContact CB-CG2 3.94Å; C427-V475 WeakPolarHBondContact O-CG2 3.44Å; C427-C638 HydrophobicContact CB-CB 3.89Å; C427-C638 VanDerWaalsContact CB-SG 3.59Å; C427-C638 VanDerWaalsContact SG-CB 3.6Å; C427-A639 VanDerWaalsContact SG-C 3.53Å
428	V	94.2	Very high	90.4	Very high	15 Å²	15	34.4 Å²	34.4	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.1	179	171.3	0	0	0	0	108.8	I430 V434 Y435 V475 Y477 I482	V428-I430 HydrophobicContact CG1-CD1 4.32Å; V428-I430 HydrophobicContact CG1-CG1 3.78Å; V428-V434 CarbonylContact O-C 3.58Å; V428-V434 WeakPolarHBondContact O-CA 3.44Å; V428-Y435 PolarHBondContact N-O 3.47Å; V428-Y435 PolarHBondContact O-N 3.38Å; V428-V475 HydrophobicContact CG2-CB 4.23Å; V428-V475 HydrophobicContact CG2-CG2 3.94Å; V428-Y477 HydrophobicContact CG1-CD2 4.47Å; V428-Y477 HydrophobicContact CG1-CG 4.06Å; V428-I482 HydrophobicContact CB-CG2 4.4Å; V428-I482 HydrophobicContact CG1-CG1 4.41Å; V428-I482 HydrophobicContact CG2-CG2 3.8Å
429	L	93.2	Very high	91.4	Very high	45 Å²	45	26.7 Å²	26.7	24%	0.236	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.5	169.8	179.7	60.7	0	0	0	110.2	G431 R433 F454 C640 T641 L642	L429-G431 WeakPolarHBondContact CD1-O 3.41Å; L429-R433 WeakPolarHBondContact CA-O 3.47Å; L429-F454 HydrophobicContact CD1-CD2 4.14Å; L429-F454 HydrophobicContact CD1-CE2 3.83Å; L429-C640 HydrophobicContact CB-CB 3.99Å; L429-T641 WeakPolarHBondContact CD2-O 3.24Å; L429-L642 HydrophobicContact CD2-CD1 4.47Å
430	I	92.7	Very high	92.1	Very high	32 Å²	32	28.2 Å²	28.2	16%	0.164	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	103.8	175.2	-52.5	179.5	0	0	0	108.1	V428 T432 R433 Y435 Y477 I482 V504	V428-I430 HydrophobicContact CG1-CD1 4.32Å; V428-I430 HydrophobicContact CG1-CG1 3.78Å; I430-T432 PolarHBondContact O-N 2.59Å; I430-T432 VanDerWaalsContact O-N 3.07Å; I430-R433 PolarHBondContact N-O 3.25Å; I430-R433 PolarHBondContact O-N 3.23Å; I430-Y435 HydrophobicContact CB-CE2 4.25Å; I430-Y435 HydrophobicContact CD1-CD2 3.99Å; I430-Y435 HydrophobicContact CD1-CE2 3.85Å; I430-Y435 HydrophobicContact CG1-CD2 4.2Å; I430-Y435 HydrophobicContact CG1-CE2 4.22Å; I430-Y477 HydrophobicContact CD1-CD2 3.58Å; I430-Y477 HydrophobicContact CD1-CE2 3.42Å; I430-Y477 VanDerWaalsContact CD1-CE2 3.42Å; I430-Y477 HydrophobicContact CD1-CG 4.39Å; I430-Y477 HydrophobicContact CG1-CD2 3.98Å; I430-Y477 HydrophobicContact CG1-CE1 4.5Å; I430-Y477 HydrophobicContact CG1-CE2 3.91Å; I430-Y477 HydrophobicContact CG1-CG 4.32Å; I430-Y477 HydrophobicContact CG2-CE2 4.33Å; I430-I482 HydrophobicContact CD1-CD1 3.76Å; I430-I482 HydrophobicContact CD1-CG1 3.73Å; I430-V504 HydrophobicContact CD1-CG2 3.73Å
431	G	87.8	Confident	92.5	Very high	67 Å²	67	27 Å²	27	69%	0.691	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	-113.4	-172.5	0	0	0	0	0	110.8	L429	L429-G431 WeakPolarHBondContact CD1-O 3.41Å
432	T	89.5	Confident	92.6	Very high	30 Å²	30	23.7 Å²	23.7	18%	0.184	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.1	177.7	62.3	0	0	0	0	113.8	I430 D453 F454 Q455 L647	I430-T432 PolarHBondContact O-N 2.59Å; I430-T432 VanDerWaalsContact O-N 3.07Å; T432-D453 VanDerWaalsContact CB-OD1 3.3Å; T432-D453 WeakPolarHBondContact CB-OD1 3.45Å; T432-D453 CarbonylContact O-C 3.58Å; T432-D453 WeakPolarHBondContact O-CA 3.44Å; T432-D453 PolarHBondContact OG1-OD1 3.2Å; T432-F454 WeakPolarHBondContact O-CD2 3.42Å; T432-F454 PolarHBondContact O-N 3.17Å; T432-Q455 HydrophobicContact CG2-CB 4Å; T432-L647 HydrophobicContact CG2-CD1 3.87Å
433	R	92.1	Very high	92.7	Very high	103 Å²	103	33.5 Å²	33.5	39%	0.389	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.6	-172.1	-68.5	180	-175.2	153.5	9.6	113.1	L429 I430 Y435 Y452 D453	L429-R433 WeakPolarHBondContact CA-O 3.47Å; I430-R433 PolarHBondContact N-O 3.25Å; I430-R433 PolarHBondContact O-N 3.23Å; R433-Y435 HydrophobicContact CB-CD2 4.3Å; R433-Y435 HydrophobicContact CB-CE2 3.65Å; R433-Y452 CarbonylContact C-O 3.58Å; R433-Y452 VanDerWaalsContact CA-O 3.31Å; R433-Y452 WeakPolarHBondContact CA-O 3.39Å; R433-D453 HydrophobicContact CG-CB 3.89Å; R433-D453 WeakPolarHBondContact CG-OD2 3.19Å; R433-D453 IonicContact CZ-OD2 3.42Å; R433-D453 IonicContact NE-OD2 3.56Å; R433-D453 PolarHBondContact NE-OD2 3.17Å; R433-D453 IonicContact NH2-OD2 2.81Å; R433-D453 PolarHBondContact NH2-OD2 3.38Å
434	V	93.1	Very high	92.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.3	165.8	62.5	0	0	0	0	110	F309 C427 V428 V436 C451 Y452 F454 W460	F309-V434 HydrophobicContact CE1-CG1 4.16Å; F309-V434 HydrophobicContact CE2-CG2 4Å; F309-V434 HydrophobicContact CZ-CB 4.44Å; F309-V434 HydrophobicContact CZ-CG1 4.1Å; F309-V434 HydrophobicContact CZ-CG2 4.05Å; C427-V434 HydrophobicContact CB-CG2 4.13Å; V428-V434 CarbonylContact O-C 3.58Å; V428-V434 WeakPolarHBondContact O-CA 3.44Å; V434-V436 HydrophobicContact CG2-CG2 4.13Å; V434-C451 VanDerWaalsContact O-CA 3.3Å; V434-C451 WeakPolarHBondContact O-CA 3.29Å; V434-Y452 PolarHBondContact N-O 3.23Å; V434-Y452 PolarHBondContact O-N 3.27Å; V434-F454 HydrophobicContact CB-CE2 3.79Å; V434-F454 HydrophobicContact CB-CZ 3.91Å; V434-F454 HydrophobicContact CG1-CE1 4.38Å; V434-F454 HydrophobicContact CG1-CE2 3.76Å; V434-F454 HydrophobicContact CG1-CZ 3.47Å; V434-F454 VanDerWaalsContact CG1-CZ 3.47Å; V434-W460 HydrophobicContact CG1-CH2 3.75Å; V434-W460 HydrophobicContact CG1-CZ3 4.17Å
435	Y	94.9	Very high	93.1	Very high	6 Å²	6	38.9 Å²	38.9	2%	0.024	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.1	170.4	-67.9	-97.9	0	0	0	108.5	C427 V428 I430 R433 T449 L450 C451 I482 Y502	C427-Y435 CarbonylContact C-O 3.6Å; C427-Y435 WeakPolarHBondContact CA-O 3.22Å; C427-Y435 WeakPolarHBondContact CB-O 3.44Å; V428-Y435 PolarHBondContact N-O 3.47Å; V428-Y435 PolarHBondContact O-N 3.38Å; I430-Y435 HydrophobicContact CB-CE2 4.25Å; I430-Y435 HydrophobicContact CD1-CD2 3.99Å; I430-Y435 HydrophobicContact CD1-CE2 3.85Å; I430-Y435 HydrophobicContact CG1-CD2 4.2Å; I430-Y435 HydrophobicContact CG1-CE2 4.22Å; R433-Y435 HydrophobicContact CB-CD2 4.3Å; R433-Y435 HydrophobicContact CB-CE2 3.65Å; Y435-T449 HydrophobicContact CD1-CG2 4.1Å; Y435-L450 CarbonylContact C-O 3.59Å; Y435-L450 VanDerWaalsContact CA-O 3.27Å; Y435-L450 WeakPolarHBondContact CA-O 3.31Å; Y435-C451 HydrophobicContact CD1-CB 3.97Å; Y435-C451 HydrophobicContact CE1-CB 3.91Å; Y435-C451 VanDerWaalsContact CZ-SG 3.59Å; Y435-I482 HydrophobicContact CD1-CD1 3.98Å; Y435-I482 HydrophobicContact CD2-CD1 3.89Å; Y435-I482 HydrophobicContact CG-CD1 3.59Å; Y435-Y502 HydrophobicContact CD1-CE1 4.32Å; Y435-Y502 AromaticContact CE1-CE1 3.89Å; Y435-Y502 HydrophobicContact CE1-CE1 3.89Å
436	V	94.9	Very high	93.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.3	177.3	-176.4	0	0	0	0	108.8	F309 A425 G426 C427 V434 L450 W460	F309-V436 HydrophobicContact CB-CG2 4.49Å; F309-V436 HydrophobicContact CG-CG2 4.35Å; A425-V436 HydrophobicContact CB-CG1 3.86Å; G426-V436 WeakPolarHBondContact O-CA 3.32Å; C427-V436 HydrophobicContact CB-CB 4.47Å; C427-V436 HydrophobicContact CB-CG2 3.94Å; V434-V436 HydrophobicContact CG2-CG2 4.13Å; V436-L450 HydrophobicContact CB-CB 4.42Å; V436-L450 PolarHBondContact N-O 2.97Å; V436-L450 PolarHBondContact O-N 3.18Å; V436-W460 HydrophobicContact CB-CZ3 4.42Å; V436-W460 HydrophobicContact CG2-CH2 3.79Å; V436-W460 HydrophobicContact CG2-CZ3 3.77Å
437	I	96.2	Very high	93.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.8	-160.1	-67.4	159.1	0	0	0	110.2	A425 G426 T449 M466 V475 I482 A484 W509	A425-I437 WeakPolarHBondContact CA-O 3.5Å; A425-I437 WeakPolarHBondContact CB-O 3.45Å; G426-I437 PolarHBondContact N-O 3.01Å; G426-I437 PolarHBondContact O-N 2.89Å; I437-T449 HydrophobicContact CG1-CG2 3.91Å; I437-M466 HydrophobicContact CG2-CE 3.82Å; I437-M466 HydrophobicContact CG2-SD 3.57Å; I437-M466 VanDerWaalsContact CG2-SD 3.57Å; I437-V475 HydrophobicContact CB-CG1 4.25Å; I437-V475 HydrophobicContact CD1-CG1 4.23Å; I437-V475 HydrophobicContact CG2-CG1 4.24Å; I437-I482 HydrophobicContact CD1-CB 4.46Å; I437-I482 HydrophobicContact CD1-CD1 4.32Å; I437-I482 HydrophobicContact CD1-CG2 3.47Å; I437-I482 VanDerWaalsContact CD1-CG2 3.47Å; I437-A484 HydrophobicContact CG2-CB 4.16Å; I437-W509 HydrophobicContact CD1-CH2 4.21Å; I437-W509 HydrophobicContact CD1-CZ2 4.37Å; I437-W509 HydrophobicContact CG1-CZ2 4.31Å; I437-W509 HydrophobicContact CG2-CH2 4.08Å; I437-W509 HydrophobicContact CG2-CZ2 4.17Å
438	G	96	Very high	93.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.			trans	65.7	-141	177.7	0	0	0	0	0	113.2	R422 A425 L446 S448 R470	R422-G438 PolarHBondContact NH1-O 2.8Å; A425-G438 VanDerWaalsContact CB-O 3.26Å; A425-G438 WeakPolarHBondContact CB-O 3.28Å; G438-L446 WeakPolarHBondContact CA-O 3.46Å; G438-S448 PolarHBondContact N-O 2.89Å; G438-R470 CarbonylContact C-O 3.56Å; G438-R470 WeakPolarHBondContact CA-O 3.32Å
439	G	94.4	Very high	93.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.			trans	98.9	-169.7	-174.9	0	0	0	0	0	113.9	V423 A425 A445 L446 R470 Y471	V423-G439 CarbonylContact O-C 3.59Å; V423-G439 WeakPolarHBondContact O-CA 3.44Å; A425-G439 VanDerWaalsContact N-CA 3.35Å; G439-A445 CarbonylContact O-C 3.55Å; G439-L446 VanDerWaalsContact O-CB 3.27Å; G439-L446 WeakPolarHBondContact O-CB 3.39Å; G439-L446 WeakPolarHBondContact O-CG 3.47Å; G439-L446 PolarHBondContact O-N 3.11Å; G439-R470 PolarHBondContact N-O 2.91Å; G439-Y471 VanDerWaalsContact C-CB 3.47Å
440	F	92.9	Very high	93.7	Very high	42 Å²	42	40.2 Å²	40.2	18%	0.184	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-127	125.4	-175.2	-179.5	-104.3	0	0	0	109.9	W312 P318 R422 V423 G442 R444 Y471	W312-F440 HydrophobicContact CZ3-CD1 4.39Å; W312-F440 HydrophobicContact CZ3-CE1 4.22Å; P318-F440 HydrophobicContact CG-CD1 4.37Å; R422-F440 WeakPolarHBondContact CA-O 3.15Å; V423-F440 HydrophobicContact CG1-CB 4.16Å; V423-F440 HydrophobicContact CG1-CD1 4.25Å; V423-F440 PolarHBondContact N-O 2.95Å; V423-F440 VanDerWaalsContact N-O 3.09Å; V423-F440 PolarHBondContact O-N 2.84Å; F440-G442 VanDerWaalsContact CE1-C 3.48Å; F440-G442 WeakPolarHBondContact CZ-O 3.48Å; F440-R444 WeakPolarHBondContact CA-O 3.4Å; F440-R444 WeakPolarHBondContact CD2-O 3.14Å; F440-Y471 HydrophobicContact CB-CD2 4.13Å; F440-Y471 HydrophobicContact CB-CG 4.09Å
441	D	91.3	Very high	93.7	Very high	35 Å²	35	38.7 Å²	38.7	19%	0.187	19%	0.191	C	C	.	.			trans	-86.8	-3.3	-175.2	63.6	12.9	0	0	0	114.5	Y443 R444 L446	D441-Y443 WeakPolarHBondContact OD1-CA 3.3Å; D441-Y443 PolarHBondContact OD1-N 3Å; D441-R444 PolarHBondContact N-O 2.8Å; D441-R444 VanDerWaalsContact N-O 3.17Å; D441-R444 WeakPolarHBondContact OD1-CG 3.38Å; D441-R444 PolarHBondContact OD1-N 2.89Å; D441-R444 WeakPolarHBondContact OD2-CG 3.18Å; D441-R444 IonicContact OD2-CZ 3.76Å; D441-R444 IonicContact OD2-NE 2.9Å; D441-R444 PolarHBondContact OD2-NE 2.97Å; D441-R444 IonicContact OD2-NH2 3.72Å; D441-L446 HydrophobicContact CB-CD1 4.23Å; D441-L446 HydrophobicContact CB-CD2 4.04Å; D441-L446 HydrophobicContact CB-CG 4.35Å
442	G	89.5	Confident	93.9	Very high	29 Å²	29	35.6 Å²	35.6	30%	0.299	16%	0.159	S	C	.	.	S	Bend	trans	109.6	-20.1	-173.4	0	0	0	0	0	112.8	F440	F440-G442 VanDerWaalsContact CE1-C 3.48Å; F440-G442 WeakPolarHBondContact CZ-O 3.48Å
443	Y	91.8	Very high	93.9	Very high	214 Å²	214	34.5 Å²	34.5	84%	0.839	15%	0.152	S	C	*	.	S	Bend	trans	-123.1	-32.8	-176.7	-57	-85.9	0	0	0	112.7	D441	D441-Y443 WeakPolarHBondContact OD1-CA 3.3Å; D441-Y443 PolarHBondContact OD1-N 3Å
444	R	94.1	Very high	93.7	Very high	166 Å²	166	29.7 Å²	29.7	63%	0.626	13%	0.134	S	C	*	.	S	Bend	trans	-152.3	160	-174.6	55.9	175	175.6	-178.9	1.5	112.5	F440 D441	F440-R444 WeakPolarHBondContact CA-O 3.4Å; F440-R444 WeakPolarHBondContact CD2-O 3.14Å; D441-R444 PolarHBondContact N-O 2.8Å; D441-R444 VanDerWaalsContact N-O 3.17Å; D441-R444 WeakPolarHBondContact OD1-CG 3.38Å; D441-R444 PolarHBondContact OD1-N 2.89Å; D441-R444 WeakPolarHBondContact OD2-CG 3.18Å; D441-R444 IonicContact OD2-CZ 3.76Å; D441-R444 IonicContact OD2-NE 2.9Å; D441-R444 PolarHBondContact OD2-NE 2.97Å; D441-R444 IonicContact OD2-NH2 3.72Å
445	A	96.1	Very high	93.3	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.041	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-65.2	150.5	162.7	0	0	0	0	0	110.7	G439 N469 Y471 N489	G439-A445 CarbonylContact O-C 3.55Å; A445-N469 HydrophobicContact CB-CB 3.64Å; A445-Y471 HydrophobicContact CB-CD1 3.52Å; A445-Y471 HydrophobicContact CB-CE1 3.93Å; A445-N489 WeakPolarHBondContact CB-O 3.37Å
446	L	96.4	Very high	92.6	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.084	18%	0.184	C	C	.	.			trans	-111.9	145.5	-177.9	-61.6	177.8	0	0	0	111.2	R422 G438 G439 D441 R470	R422-L446 HydrophobicContact CB-CD1 4.1Å; G438-L446 WeakPolarHBondContact CA-O 3.46Å; G439-L446 VanDerWaalsContact O-CB 3.27Å; G439-L446 WeakPolarHBondContact O-CB 3.39Å; G439-L446 WeakPolarHBondContact O-CG 3.47Å; G439-L446 PolarHBondContact O-N 3.11Å; D441-L446 HydrophobicContact CB-CD1 4.23Å; D441-L446 HydrophobicContact CB-CD2 4.04Å; D441-L446 HydrophobicContact CB-CG 4.35Å; L446-R470 PolarHBondContact O-N 3.02Å
447	K	96.5	Very high	91.6	Very high	77 Å²	77	46.9 Å²	46.9	34%	0.335	22%	0.219	S	C	.	.			trans	-109.5	4.3	166.8	67.6	-171.6	-140	112.2	0	113.5	C465 M466 E468	K447-C465 HydrophobicContact CG-CB 4.19Å; K447-C465 PolarHBondContact NZ-SG 3.05Å; K447-C465 CarbonylContact O-C 3.56Å; K447-C465 VanDerWaalsContact O-CA 3.31Å; K447-C465 WeakPolarHBondContact O-CA 3.12Å; K447-C465 VanDerWaalsContact O-CB 3.31Å; K447-C465 WeakPolarHBondContact O-CB 3.3Å; K447-M466 HydrophobicContact CB-CB 4.19Å; K447-M466 PolarHBondContact NZ-O 2.86Å; K447-M466 PolarHBondContact O-N 2.81Å; K447-E468 WeakPolarHBondContact CB-O 3.32Å
448	S	96.3	Very high	90.6	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.084	24%	0.243	C	C	.	.			trans	-73.8	140.1	-176.8	51	0	0	0	0	112	R422 G438 E462	R422-S448 PolarHBondContact NH1-OG 3.23Å; R422-S448 VanDerWaalsContact NH1-OG 3.12Å; R422-S448 PolarHBondContact NH2-OG 2.84Å; G438-S448 PolarHBondContact N-O 2.89Å; S448-E462 WeakPolarHBondContact CB-OE1 3.39Å
449	T	96.7	Very high	90	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.4	169.3	-53.7	0	0	0	0	107.4	Y435 I437 A463 S464 W509	Y435-T449 HydrophobicContact CD1-CG2 4.1Å; I437-T449 HydrophobicContact CG1-CG2 3.91Å; T449-A463 HydrophobicContact CG2-CB 4.07Å; T449-A463 PolarHBondContact O-N 2.83Å; T449-S464 VanDerWaalsContact CB-O 3.25Å; T449-S464 WeakPolarHBondContact CB-O 3.3Å; T449-S464 PolarHBondContact OG1-O 2.68Å; T449-W509 HydrophobicContact CG2-CZ2 4.46Å; T449-W509 WeakPolarHBondContact OG1-CZ2 3.46Å; T449-W509 PolarHBondContact OG1-NE1 2.68Å; T449-W509 VanDerWaalsContact OG1-NE1 3.14Å
450	L	94.5	Very high	89.7	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.047	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	148.4	172	-58.5	-179	0	0	0	109.9	P420 R422 Y435 V436 W460 Y461 E462	P420-L450 HydrophobicContact CB-CD1 4.19Å; P420-L450 HydrophobicContact CG-CD1 3.96Å; P420-L450 HydrophobicContact CG-CD2 4.28Å; R422-L450 VanDerWaalsContact NH2-CD1 3.33Å; Y435-L450 CarbonylContact C-O 3.59Å; Y435-L450 VanDerWaalsContact CA-O 3.27Å; Y435-L450 WeakPolarHBondContact CA-O 3.31Å; V436-L450 HydrophobicContact CB-CB 4.42Å; V436-L450 PolarHBondContact N-O 2.97Å; V436-L450 PolarHBondContact O-N 3.18Å; L450-W460 HydrophobicContact CB-CE3 3.76Å; L450-W460 HydrophobicContact CB-CZ3 4.09Å; L450-W460 HydrophobicContact CD1-CE3 4.4Å; L450-Y461 CarbonylContact C-O 3.47Å; L450-Y461 WeakPolarHBondContact CA-O 3.29Å; L450-E462 HydrophobicContact CD2-CB 4.48Å
451	C	93.3	Very high	89.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.5	171	-172.4	0	0	0	0	110.6	V434 Y435 W460 Y461	V434-C451 VanDerWaalsContact O-CA 3.3Å; V434-C451 WeakPolarHBondContact O-CA 3.29Å; Y435-C451 HydrophobicContact CD1-CB 3.97Å; Y435-C451 HydrophobicContact CE1-CB 3.91Å; Y435-C451 VanDerWaalsContact CZ-SG 3.59Å; C451-W460 WeakPolarHBondContact O-CA 3.19Å; C451-Y461 HydrophobicContact CB-CD1 4.39Å; C451-Y461 HydrophobicContact CB-CD2 4.17Å; C451-Y461 HydrophobicContact CB-CE1 3.95Å; C451-Y461 HydrophobicContact CB-CE2 3.7Å; C451-Y461 PolarHBondContact N-O 2.82Å; C451-Y461 WeakPolarHBondContact O-CD1 3.26Å; C451-Y461 PolarHBondContact O-N 2.92Å; C451-Y461 VanDerWaalsContact SG-CZ 3.58Å; C451-Y461 PolarHBondContact SG-OH 3.07Å
452	Y	90.9	Very high	89.7	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.3	170.3	177.5	-82	0	0	0	109	L415 I416 R433 V434 F454 W460 Y651	L415-Y452 PolarHBondContact O-OH 2.68Å; I416-Y452 HydrophobicContact CG2-CE2 4.48Å; I416-Y452 WeakPolarHBondContact O-CE2 3.29Å; R433-Y452 CarbonylContact C-O 3.58Å; R433-Y452 VanDerWaalsContact CA-O 3.31Å; R433-Y452 WeakPolarHBondContact CA-O 3.39Å; V434-Y452 PolarHBondContact N-O 3.23Å; V434-Y452 PolarHBondContact O-N 3.27Å; Y452-F454 AromaticContact CD1-CD1 3.78Å; Y452-F454 HydrophobicContact CD1-CD1 3.78Å; Y452-F454 AromaticContact CD1-CE1 3.8Å; Y452-F454 HydrophobicContact CD1-CE1 3.8Å; Y452-F454 HydrophobicContact CD1-CG 4.3Å; Y452-F454 HydrophobicContact CD1-CZ 4.38Å; Y452-F454 AromaticContact CE1-CD1 3.48Å; Y452-F454 HydrophobicContact CE1-CD1 3.48Å; Y452-F454 VanDerWaalsContact CE1-CD1 3.48Å; Y452-F454 AromaticContact CE1-CE1 3.81Å; Y452-F454 HydrophobicContact CE1-CE1 3.81Å; Y452-F454 HydrophobicContact CE1-CG 4.19Å; Y452-W460 AromaticContact CD2-CD1 3.94Å; Y452-W460 HydrophobicContact CD2-CD2 4.19Å; Y452-W460 AromaticContact CD2-CE2 3.98Å; Y452-W460 HydrophobicContact CD2-CG 4.14Å; Y452-W460 AromaticContact CD2-NE1 3.78Å; Y452-W460 HydrophobicContact CG-CD2 4.3Å; Y452-W460 HydrophobicContact CG-CZ2 4.28Å; Y452-Y651 PolarHBondContact OH-OH 2.87Å; Y452-Y651 VanDerWaalsContact OH-OH 3.1Å
453	D	90.3	Very high	89.9	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.043	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.6	-177.9	-165.9	-33.1	0	0	0	109.5	T432 R433 Q455 V456	T432-D453 VanDerWaalsContact CB-OD1 3.3Å; T432-D453 WeakPolarHBondContact CB-OD1 3.45Å; T432-D453 CarbonylContact O-C 3.58Å; T432-D453 WeakPolarHBondContact O-CA 3.44Å; T432-D453 PolarHBondContact OG1-OD1 3.2Å; R433-D453 HydrophobicContact CG-CB 3.89Å; R433-D453 WeakPolarHBondContact CG-OD2 3.19Å; R433-D453 IonicContact CZ-OD2 3.42Å; R433-D453 IonicContact NE-OD2 3.56Å; R433-D453 PolarHBondContact NE-OD2 3.17Å; R433-D453 IonicContact NH2-OD2 2.81Å; R433-D453 PolarHBondContact NH2-OD2 3.38Å; D453-Q455 PolarHBondContact O-N 3.33Å; D453-Q455 PolarHBondContact OD1-N 2.74Å; D453-V456 HydrophobicContact CB-CB 4.18Å; D453-V456 HydrophobicContact CB-CG2 4.43Å; D453-V456 PolarHBondContact O-N 2.97Å
454	F	88.4	Confident	90.1	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.8	-175.1	-63.8	-68.8	0	0	0	113.8	M307 F309 L429 T432 V434 Y452 L642 L647 Y651	M307-F454 HydrophobicContact CE-CD1 4.43Å; M307-F454 HydrophobicContact CE-CE1 3.64Å; M307-F454 HydrophobicContact CE-CZ 4.28Å; M307-F454 HydrophobicContact SD-CD1 4.29Å; M307-F454 HydrophobicContact SD-CE1 3.57Å; M307-F454 VanDerWaalsContact SD-CE1 3.57Å; M307-F454 HydrophobicContact SD-CZ 3.77Å; F309-F454 HydrophobicContact CZ-CZ 4.07Å; L429-F454 HydrophobicContact CD1-CD2 4.14Å; L429-F454 HydrophobicContact CD1-CE2 3.83Å; T432-F454 WeakPolarHBondContact O-CD2 3.42Å; T432-F454 PolarHBondContact O-N 3.17Å; V434-F454 HydrophobicContact CB-CE2 3.79Å; V434-F454 HydrophobicContact CB-CZ 3.91Å; V434-F454 HydrophobicContact CG1-CE1 4.38Å; V434-F454 HydrophobicContact CG1-CE2 3.76Å; V434-F454 HydrophobicContact CG1-CZ 3.47Å; V434-F454 VanDerWaalsContact CG1-CZ 3.47Å; Y452-F454 AromaticContact CD1-CD1 3.78Å; Y452-F454 HydrophobicContact CD1-CD1 3.78Å; Y452-F454 AromaticContact CD1-CE1 3.8Å; Y452-F454 HydrophobicContact CD1-CE1 3.8Å; Y452-F454 HydrophobicContact CD1-CG 4.3Å; Y452-F454 HydrophobicContact CD1-CZ 4.38Å; Y452-F454 AromaticContact CE1-CD1 3.48Å; Y452-F454 HydrophobicContact CE1-CD1 3.48Å; Y452-F454 VanDerWaalsContact CE1-CD1 3.48Å; Y452-F454 AromaticContact CE1-CE1 3.81Å; Y452-F454 HydrophobicContact CE1-CE1 3.81Å; Y452-F454 HydrophobicContact CE1-CG 4.19Å; F454-L642 HydrophobicContact CB-CD1 4.28Å; F454-L642 HydrophobicContact CB-CD2 4.31Å; F454-L642 HydrophobicContact CD1-CD2 4.04Å; F454-L642 HydrophobicContact CD2-CD1 3.61Å; F454-L642 HydrophobicContact CD2-CD2 4.25Å; F454-L642 HydrophobicContact CE2-CD1 4.16Å; F454-L642 HydrophobicContact CG-CD1 3.99Å; F454-L642 HydrophobicContact CG-CD2 3.94Å; F454-L647 HydrophobicContact CB-CD2 4.45Å; F454-Y651 HydrophobicContact CB-CE2 4.02Å; F454-Y651 HydrophobicContact CD1-CD2 4.43Å; F454-Y651 HydrophobicContact CD1-CE1 4.23Å; F454-Y651 AromaticContact CD1-CE2 3.77Å; F454-Y651 HydrophobicContact CD1-CE2 3.77Å; F454-Y651 AromaticContact CD1-CZ 3.68Å; F454-Y651 HydrophobicContact CG-CE2 4.31Å; F454-Y651 PolarHBondContact O-OH 3.27Å
455	Q	83.8	Confident	90.3	Very high	136 Å²	136	44.5 Å²	44.5	64%	0.636	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-18.4	178	-165.4	174	14.3	0	0	113.1	T432 D453 L647	T432-Q455 HydrophobicContact CG2-CB 4Å; D453-Q455 PolarHBondContact O-N 3.33Å; D453-Q455 PolarHBondContact OD1-N 2.74Å; Q455-L647 HydrophobicContact CB-CD2 4.02Å; Q455-L647 HydrophobicContact CG-CD2 4.37Å
456	V	81	Confident	90.3	Very high	73 Å²	73	44.3 Å²	44.3	44%	0.442	23%	0.231	S	C	.	.	S	Bend	trans	-122.7	126.6	-171.8	-173.6	0	0	0	0	111.1	D453 S458	D453-V456 HydrophobicContact CB-CB 4.18Å; D453-V456 HydrophobicContact CB-CG2 4.43Å; D453-V456 PolarHBondContact O-N 2.97Å; V456-S458 PolarHBondContact O-N 3.09Å
457	E	72.5	Confident	90.4	Very high	160 Å²	160	50.1 Å²	50.1	75%	0.748	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	54.1	-179.3	-68.8	172.2	179.9	0	0	112	K650	E457-K650 VanDerWaalsContact CG-NZ 3.3Å; E457-K650 WeakPolarHBondContact OE1-CE 3.46Å; E457-K650 IonicContact OE1-NZ 3.89Å; E457-K650 PolarHBondContact OE1-NZ 3.5Å
458	S	75.3	Confident	90.4	Very high	70 Å²	70	50 Å²	50	49%	0.49	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.8	174.8	59.5	0	0	0	0	113.8	V456	V456-S458 PolarHBondContact O-N 3.09Å
459	G	83.7	Confident	90.5	Very high	19 Å²	19	52.3 Å²	52.3	20%	0.196	27%	0.265	C	S	.	.			trans	69.8	-172.1	-161.3	0	0	0	0	0	112.3
460	W	89.4	Confident	90.5	Very high	34 Å²	34	52.4 Å²	52.4	13%	0.129	27%	0.265	C	S	.	.			trans	-70.3	143.1	176	-66.9	88	0	0	0	111.8	F309 I416 I419 V434 V436 L450 C451 Y452	F309-W460 AromaticContact CD1-CH2 3.8Å; F309-W460 HydrophobicContact CD1-CH2 3.8Å; F309-W460 AromaticContact CD1-CZ2 3.88Å; F309-W460 HydrophobicContact CD1-CZ2 3.88Å; F309-W460 AromaticContact CE1-CH2 3.94Å; F309-W460 HydrophobicContact CE1-CH2 3.94Å; F309-W460 AromaticContact CE1-CZ2 3.99Å; F309-W460 HydrophobicContact CE1-CZ2 3.99Å; I416-W460 HydrophobicContact CG2-CZ2 4.11Å; I416-W460 PolarHBondContact O-NE1 2.84Å; I419-W460 HydrophobicContact CB-CZ2 4.44Å; I419-W460 HydrophobicContact CD1-CH2 4.01Å; I419-W460 HydrophobicContact CD1-CZ2 3.57Å; I419-W460 HydrophobicContact CG1-CD2 4.28Å; I419-W460 HydrophobicContact CG1-CZ2 4.01Å; V434-W460 HydrophobicContact CG1-CH2 3.75Å; V434-W460 HydrophobicContact CG1-CZ3 4.17Å; V436-W460 HydrophobicContact CB-CZ3 4.42Å; V436-W460 HydrophobicContact CG2-CH2 3.79Å; V436-W460 HydrophobicContact CG2-CZ3 3.77Å; L450-W460 HydrophobicContact CB-CE3 3.76Å; L450-W460 HydrophobicContact CB-CZ3 4.09Å; L450-W460 HydrophobicContact CD1-CE3 4.4Å; C451-W460 WeakPolarHBondContact O-CA 3.19Å; Y452-W460 AromaticContact CD2-CD1 3.94Å; Y452-W460 HydrophobicContact CD2-CD2 4.19Å; Y452-W460 AromaticContact CD2-CE2 3.98Å; Y452-W460 HydrophobicContact CD2-CG 4.14Å; Y452-W460 AromaticContact CD2-NE1 3.78Å; Y452-W460 HydrophobicContact CG-CD2 4.3Å; Y452-W460 HydrophobicContact CG-CZ2 4.28Å
461	Y	90.1	Very high	90.5	Very high	92 Å²	92	53.5 Å²	53.5	36%	0.361	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.5	168.3	62.2	-87.2	0	0	0	111.2	L450 C451	L450-Y461 CarbonylContact C-O 3.47Å; L450-Y461 WeakPolarHBondContact CA-O 3.29Å; C451-Y461 HydrophobicContact CB-CD1 4.39Å; C451-Y461 HydrophobicContact CB-CD2 4.17Å; C451-Y461 HydrophobicContact CB-CE1 3.95Å; C451-Y461 HydrophobicContact CB-CE2 3.7Å; C451-Y461 PolarHBondContact N-O 2.82Å; C451-Y461 WeakPolarHBondContact O-CD1 3.26Å; C451-Y461 PolarHBondContact O-N 2.92Å; C451-Y461 VanDerWaalsContact SG-CZ 3.58Å; C451-Y461 PolarHBondContact SG-OH 3.07Å
462	E	92.6	Very high	90.6	Very high	127 Å²	127	56.7 Å²	56.7	59%	0.593	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.4	173.7	-173	161	-147.6	0	0	109.5	S448 L450	S448-E462 WeakPolarHBondContact CB-OE1 3.39Å; L450-E462 HydrophobicContact CD2-CB 4.48Å
463	A	94	Very high	90.8	Very high	10 Å²	10	57.1 Å²	57.1	8%	0.083	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-177.4	167.2	0	0	0	0	0	109.8	T449 C465	T449-A463 HydrophobicContact CG2-CB 4.07Å; T449-A463 PolarHBondContact O-N 2.83Å; A463-C465 PolarHBondContact O-N 2.8Å
464	S	96.4	Very high	91.1	Very high	35 Å²	35	57 Å²	57	25%	0.245	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-55.9	142.9	177.4	-165.1	0	0	0	0	112	T449 N507 W509	T449-S464 VanDerWaalsContact CB-O 3.25Å; T449-S464 WeakPolarHBondContact CB-O 3.3Å; T449-S464 PolarHBondContact OG1-O 2.68Å; S464-N507 WeakPolarHBondContact CB-O 3.44Å; S464-N507 WeakPolarHBondContact CB-OD1 3.39Å; S464-N507 PolarHBondContact N-OD1 3.45Å; S464-W509 PolarHBondContact O-NE1 3.09Å
465	C	97.1	Very high	91.5	Very high	48 Å²	48	57.9 Å²	57.9	32%	0.324	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-89.6	150.6	-177.8	66.2	0	0	0	0	111.8	K447 A463	K447-C465 HydrophobicContact CG-CB 4.19Å; K447-C465 PolarHBondContact NZ-SG 3.05Å; K447-C465 CarbonylContact O-C 3.56Å; K447-C465 VanDerWaalsContact O-CA 3.31Å; K447-C465 WeakPolarHBondContact O-CA 3.12Å; K447-C465 VanDerWaalsContact O-CB 3.31Å; K447-C465 WeakPolarHBondContact O-CB 3.3Å; A463-C465 PolarHBondContact O-N 2.8Å
466	M	98	Very high	92.2	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-61	160.1	168.3	-65.8	178.5	-60.2	0	0	111.3	I437 K447 E468 R470 A484 E500 W509	I437-M466 HydrophobicContact CG2-CE 3.82Å; I437-M466 HydrophobicContact CG2-SD 3.57Å; I437-M466 VanDerWaalsContact CG2-SD 3.57Å; K447-M466 HydrophobicContact CB-CB 4.19Å; K447-M466 PolarHBondContact NZ-O 2.86Å; K447-M466 PolarHBondContact O-N 2.81Å; M466-E468 WeakPolarHBondContact CB-O 3.16Å; M466-R470 HydrophobicContact CE-CB 3.99Å; M466-R470 HydrophobicContact CE-CG 4.08Å; M466-R470 HydrophobicContact SD-CG 4.26Å; M466-A484 HydrophobicContact SD-CB 3.58Å; M466-A484 VanDerWaalsContact SD-CB 3.58Å; M466-E500 WeakPolarHBondContact CA-OE2 3.27Å; M466-E500 WeakPolarHBondContact CB-OE2 3.28Å; M466-W509 HydrophobicContact CG-CD2 3.7Å; M466-W509 HydrophobicContact CG-CE3 3.95Å; M466-W509 HydrophobicContact CG-CG 4.34Å; M466-W509 HydrophobicContact CG-CH2 3.97Å; M466-W509 HydrophobicContact CG-CZ2 3.7Å; M466-W509 HydrophobicContact CG-CZ3 4.08Å; M466-W509 HydrophobicContact SD-CH2 4.14Å; M466-W509 HydrophobicContact SD-CZ2 4.29Å; M466-W509 HydrophobicContact SD-CZ3 4.42Å
467	Y	97	Very high	92.9	Very high	139 Å²	139	52.4 Å²	52.4	55%	0.545	26%	0.257	S	S	.	.	S	Bend	trans	-71	-53.3	169	-67.8	-82	0	0	0	110.1	E500 W509 T511	Y467-E500 WeakPolarHBondContact CD2-OE2 3.3Å; Y467-E500 PolarHBondContact N-OE2 3.08Å; Y467-W509 HydrophobicContact CD2-CB 4.42Å; Y467-W509 HydrophobicContact CE2-CB 4.23Å; Y467-W509 WeakPolarHBondContact CE2-O 3.47Å; Y467-T511 HydrophobicContact CD2-CG2 4.11Å
468	E	97.1	Very high	93.9	Very high	74 Å²	74	45 Å²	45	35%	0.346	22%	0.224	S	C	.	.	S	Bend	trans	-83.3	152.9	176	-72.3	-59.2	150.7	0	0	112.7	K447 M466 R470 L496 E500	K447-E468 WeakPolarHBondContact CB-O 3.32Å; M466-E468 WeakPolarHBondContact CB-O 3.16Å; E468-R470 HydrophobicContact CB-CG 4.17Å; E468-L496 HydrophobicContact CB-CD1 4.16Å; E468-L496 HydrophobicContact CG-CD1 4.4Å; E468-E500 WeakPolarHBondContact CB-OE1 3.21Å; E468-E500 PolarHBondContact N-OE1 3.47Å
469	N	97.8	Very high	94.7	Very high	61 Å²	61	46.5 Å²	46.5	33%	0.326	23%	0.226	S	C	.	.			trans	-80.2	137.1	162.9	-53.7	-65	0	0	0	108.5	A445 N489	A445-N469 HydrophobicContact CB-CB 3.64Å; N469-N489 VanDerWaalsContact O-CA 3.23Å; N469-N489 WeakPolarHBondContact O-CA 3.18Å; N469-N489 WeakPolarHBondContact O-CB 3.38Å
470	R	97.5	Very high	95.1	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.229	C	C	.	.			trans	-143.3	123.6	-176.4	-51.8	-175.4	178.2	-97.2	-3.9	112	G438 G439 L446 M466 E468 V473 G486 H488 L496 S498 E500	G438-R470 CarbonylContact C-O 3.56Å; G438-R470 WeakPolarHBondContact CA-O 3.32Å; G439-R470 PolarHBondContact N-O 2.91Å; L446-R470 PolarHBondContact O-N 3.02Å; M466-R470 HydrophobicContact CE-CB 3.99Å; M466-R470 HydrophobicContact CE-CG 4.08Å; M466-R470 HydrophobicContact SD-CG 4.26Å; E468-R470 HydrophobicContact CB-CG 4.17Å; R470-V473 HydrophobicContact CB-CB 3.87Å; R470-V473 HydrophobicContact CB-CG1 4.49Å; R470-V473 HydrophobicContact CB-CG2 3.88Å; R470-G486 PolarHBondContact NH1-O 3.36Å; R470-H488 WeakPolarHBondContact CA-O 3.36Å; R470-L496 HydrophobicContact CG-CD1 3.97Å; R470-S498 PolarHBondContact NH1-O 3.16Å; R470-S498 PolarHBondContact NH2-OG 3.38Å; R470-E500 IonicContact CZ-OE1 2.91Å; R470-E500 VanDerWaalsContact CZ-OE1 3.26Å; R470-E500 IonicContact NE-OE1 3.72Å; R470-E500 PolarHBondContact NE-OE1 3.47Å; R470-E500 IonicContact NH2-OE1 3.26Å; R470-E500 PolarHBondContact NH2-OE1 2.94Å
471	Y	94.7	Very high	95.4	Very high	33 Å²	33	46.8 Å²	46.8	13%	0.129	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-130.3	162.4	161.2	72.8	-77.1	0	0	0	110.6	Y424 G439 F440 A445 V473 G487 H488	Y424-Y471 HydrophobicContact CD2-CD2 4.02Å; Y424-Y471 CarbonylContact O-C 3.56Å; Y424-Y471 WeakPolarHBondContact O-CA 3.42Å; G439-Y471 VanDerWaalsContact C-CB 3.47Å; F440-Y471 HydrophobicContact CB-CD2 4.13Å; F440-Y471 HydrophobicContact CB-CG 4.09Å; A445-Y471 HydrophobicContact CB-CD1 3.52Å; A445-Y471 HydrophobicContact CB-CE1 3.93Å; Y471-V473 PolarHBondContact O-N 3.23Å; Y471-G487 CarbonylContact O-C 3.48Å; Y471-G487 VanDerWaalsContact O-CA 3.27Å; Y471-G487 WeakPolarHBondContact O-CA 3.11Å; Y471-H488 HydrophobicContact CD1-CB 4.09Å; Y471-H488 WeakPolarHBondContact CD1-O 3.47Å; Y471-H488 HydrophobicContact CE1-CB 3.74Å; Y471-H488 AromaticContact CE1-CG 3.92Å; Y471-H488 AromaticContact CE1-ND1 3.52Å; Y471-H488 WeakPolarHBondContact CE1-O 3.35Å; Y471-H488 HydrophobicContact CE2-CB 4.48Å; Y471-H488 AromaticContact CZ-CG 3.94Å; Y471-H488 AromaticContact CZ-ND1 3.64Å; Y471-H488 PolarHBondContact N-O 2.87Å; Y471-H488 PolarHBondContact O-N 3.06Å; Y471-H488 PolarHBondContact OH-ND1 2.88Å
472	Y	94.7	Very high	95.8	Very high	67 Å²	67	42.4 Å²	42.4	26%	0.263	21%	0.213	S	C	.	.	S	Bend	trans	53	35.6	-158.4	-51.6	-65.8	0	0	0	111.7	Y424 G487 H488 D521	Y424-Y472 AromaticContact CD1-CD1 3.65Å; Y424-Y472 HydrophobicContact CD1-CD1 3.65Å; Y424-Y472 AromaticContact CD1-CE1 3.31Å; Y424-Y472 HydrophobicContact CD1-CE1 3.31Å; Y424-Y472 HydrophobicContact CD2-CD1 4.07Å; Y424-Y472 AromaticContact CD2-CE1 3.48Å; Y424-Y472 HydrophobicContact CD2-CE1 3.48Å; Y424-Y472 VanDerWaalsContact CD2-CE1 3.48Å; Y424-Y472 AromaticContact CD2-CZ 3.74Å; Y424-Y472 HydrophobicContact CE1-CD1 4.36Å; Y424-Y472 AromaticContact CE1-CE1 3.59Å; Y424-Y472 HydrophobicContact CE1-CE1 3.59Å; Y424-Y472 AromaticContact CE2-CE1 3.75Å; Y424-Y472 HydrophobicContact CE2-CE1 3.75Å; Y424-Y472 AromaticContact CE2-CZ 3.83Å; Y424-Y472 AromaticContact CG-CD1 3.5Å; Y424-Y472 HydrophobicContact CG-CD1 3.5Å; Y424-Y472 VanDerWaalsContact CG-CD1 3.5Å; Y424-Y472 AromaticContact CG-CE1 3.27Å; Y424-Y472 HydrophobicContact CG-CE1 3.27Å; Y424-Y472 HydrophobicContact CG-CG 4.38Å; Y424-Y472 AromaticContact CZ-CE1 3.81Å; Y424-Y472 PolarHBondContact O-N 3Å; Y472-G487 WeakPolarHBondContact O-CA 3.19Å; Y472-H488 HydrophobicContact CD2-CB 4.48Å; Y472-D521 WeakPolarHBondContact CD1-OD1 3.02Å; Y472-D521 WeakPolarHBondContact CE1-OD1 3.46Å; Y472-D521 PolarHBondContact O-N 2.82Å; Y472-D521 VanDerWaalsContact O-N 3.14Å
473	V	96	Very high	96.1	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.067	19%	0.185	C	C	.	.			trans	-83.3	131.6	-173.8	61.6	0	0	0	0	110.6	R470 Y471 V475 A484	R470-V473 HydrophobicContact CB-CB 3.87Å; R470-V473 HydrophobicContact CB-CG1 4.49Å; R470-V473 HydrophobicContact CB-CG2 3.88Å; Y471-V473 PolarHBondContact O-N 3.23Å; V473-V475 HydrophobicContact CG1-CG1 4.4Å; V473-V475 HydrophobicContact CG2-CG1 4.36Å; V473-A484 HydrophobicContact CG2-CB 4.15Å
474	S	96.6	Very high	96.3	Very high	4 Å²	4	36 Å²	36	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.6	171.8	-50.6	0	0	0	0	108.9	I485 G522 S523	S474-I485 PolarHBondContact N-O 2.89Å; S474-I485 VanDerWaalsContact N-O 3.08Å; S474-I485 PolarHBondContact O-N 2.81Å; S474-G522 PolarHBondContact OG-O 3.35Å; S474-S523 PolarHBondContact OG-N 3.14Å
475	V	97.1	Very high	96.4	Very high	21 Å²	21	34.3 Å²	34.3	13%	0.127	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148	178.2	-60.9	0	0	0	0	111.9	C427 V428 I437 V473 Y483	C427-V475 WeakPolarHBondContact O-CG2 3.44Å; V428-V475 HydrophobicContact CG2-CB 4.23Å; V428-V475 HydrophobicContact CG2-CG2 3.94Å; I437-V475 HydrophobicContact CB-CG1 4.25Å; I437-V475 HydrophobicContact CD1-CG1 4.23Å; I437-V475 HydrophobicContact CG2-CG1 4.24Å; V473-V475 HydrophobicContact CG1-CG1 4.4Å; V473-V475 HydrophobicContact CG2-CG1 4.36Å; V475-Y483 WeakPolarHBondContact CA-O 3.06Å; V475-Y483 WeakPolarHBondContact CB-O 2.91Å
476	A	96.7	Very high	96.4	Very high	6 Å²	6	32 Å²	32	5%	0.05	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	166	177.6	0	0	0	0	0	110.4	I482 Y483 A524 I531	A476-I482 CarbonylContact O-C 3.46Å; A476-I482 WeakPolarHBondContact O-CA 3.43Å; A476-I482 WeakPolarHBondContact O-CG2 3.03Å; A476-Y483 PolarHBondContact N-O 3.28Å; A476-Y483 PolarHBondContact O-N 2.92Å; A476-A524 HydrophobicContact CB-CB 4.02Å; A476-I531 HydrophobicContact CB-CD1 4.2Å; A476-I531 HydrophobicContact CB-CG2 3.62Å
477	Y	95.7	Very high	96.4	Very high	87 Å²	87	32 Å²	32	34%	0.341	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131	178.8	170.2	-101.8	0	0	0	111.2	V428 I430 Q481 I482 E526	V428-Y477 HydrophobicContact CG1-CD2 4.47Å; V428-Y477 HydrophobicContact CG1-CG 4.06Å; I430-Y477 HydrophobicContact CD1-CD2 3.58Å; I430-Y477 HydrophobicContact CD1-CE2 3.42Å; I430-Y477 VanDerWaalsContact CD1-CE2 3.42Å; I430-Y477 HydrophobicContact CD1-CG 4.39Å; I430-Y477 HydrophobicContact CG1-CD2 3.98Å; I430-Y477 HydrophobicContact CG1-CE1 4.5Å; I430-Y477 HydrophobicContact CG1-CE2 3.91Å; I430-Y477 HydrophobicContact CG1-CG 4.32Å; I430-Y477 HydrophobicContact CG2-CE2 4.33Å; Y477-Q481 WeakPolarHBondContact CA-O 3.13Å; Y477-Q481 WeakPolarHBondContact CD2-O 3.35Å; Y477-I482 HydrophobicContact CD2-CG1 3.99Å; Y477-E526 WeakPolarHBondContact O-CB 3.28Å
478	A	94.8	Very high	96.4	Very high	6 Å²	6	26.2 Å²	26.2	5%	0.05	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151.8	172.2	0	0	0	0	0	110.1	G480 Q481 Y483 E526 I531	A478-G480 VanDerWaalsContact C-N 3.26Å; A478-G480 PolarHBondContact O-N 2.84Å; A478-G480 VanDerWaalsContact O-N 3.11Å; A478-Q481 PolarHBondContact N-O 2.85Å; A478-Q481 PolarHBondContact O-N 3.1Å; A478-Q481 VanDerWaalsContact O-O 3.06Å; A478-Y483 HydrophobicContact CB-CE2 4.43Å; A478-E526 HydrophobicContact CB-CB 4.38Å; A478-E526 HydrophobicContact CB-CG 3.57Å; A478-I531 HydrophobicContact CB-CD1 3.52Å
479	N	91.8	Very high	96.4	Very high	101 Å²	101	23.8 Å²	23.8	54%	0.54	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	38.2	166.1	-52.3	-30	0	0	0	114.4	Q481	N479-Q481 VanDerWaalsContact C-N 3.29Å; N479-Q481 PolarHBondContact O-N 2.68Å
480	G	91.5	Very high	96.2	Very high	25 Å²	25	23 Å²	23	26%	0.258	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	9.3	-178.5	0	0	0	0	0	115.3	A478 V504	A478-G480 VanDerWaalsContact C-N 3.26Å; A478-G480 PolarHBondContact O-N 2.84Å; A478-G480 VanDerWaalsContact O-N 3.11Å; G480-V504 VanDerWaalsContact O-CG2 3.28Å; G480-V504 WeakPolarHBondContact O-CG2 3.48Å; G480-V504 PolarHBondContact O-N 2.8Å
481	Q	96.9	Very high	96.1	Very high	34 Å²	34	29.2 Å²	29.2	16%	0.159	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.4	-173.2	-61.6	176.9	-1.3	0	0	111.3	Y477 A478 N479 Y483 Y502 I503	Y477-Q481 WeakPolarHBondContact CA-O 3.13Å; Y477-Q481 WeakPolarHBondContact CD2-O 3.35Å; A478-Q481 PolarHBondContact N-O 2.85Å; A478-Q481 PolarHBondContact O-N 3.1Å; A478-Q481 VanDerWaalsContact O-O 3.06Å; N479-Q481 VanDerWaalsContact C-N 3.29Å; N479-Q481 PolarHBondContact O-N 2.68Å; Q481-Y483 HydrophobicContact CB-CE2 3.89Å; Q481-Y483 WeakPolarHBondContact O-CE2 3.24Å; Q481-Y483 PolarHBondContact OE1-OH 2.88Å; Q481-Y483 VanDerWaalsContact OE1-OH 3.09Å; Q481-Y502 VanDerWaalsContact CA-O 3.27Å; Q481-Y502 WeakPolarHBondContact CA-O 3.42Å; Q481-I503 HydrophobicContact CG-CG1 4.28Å
482	I	98	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.3	171.3	-50.2	171.8	0	0	0	108.7	V428 I430 Y435 I437 A476 Y477 R501 Y502 V504	V428-I482 HydrophobicContact CB-CG2 4.4Å; V428-I482 HydrophobicContact CG1-CG1 4.41Å; V428-I482 HydrophobicContact CG2-CG2 3.8Å; I430-I482 HydrophobicContact CD1-CD1 3.76Å; I430-I482 HydrophobicContact CD1-CG1 3.73Å; Y435-I482 HydrophobicContact CD1-CD1 3.98Å; Y435-I482 HydrophobicContact CD2-CD1 3.89Å; Y435-I482 HydrophobicContact CG-CD1 3.59Å; I437-I482 HydrophobicContact CD1-CB 4.46Å; I437-I482 HydrophobicContact CD1-CD1 4.32Å; I437-I482 HydrophobicContact CD1-CG2 3.47Å; I437-I482 VanDerWaalsContact CD1-CG2 3.47Å; A476-I482 CarbonylContact O-C 3.46Å; A476-I482 WeakPolarHBondContact O-CA 3.43Å; A476-I482 WeakPolarHBondContact O-CG2 3.03Å; Y477-I482 HydrophobicContact CD2-CG1 3.99Å; I482-R501 CarbonylContact O-C 3.54Å; I482-R501 VanDerWaalsContact O-CA 3.23Å; I482-R501 WeakPolarHBondContact O-CA 3.33Å; I482-Y502 HydrophobicContact CB-CD1 4.47Å; I482-Y502 HydrophobicContact CD1-CD1 3.87Å; I482-Y502 HydrophobicContact CD1-CE1 4.39Å; I482-Y502 HydrophobicContact CG1-CD1 4.21Å; I482-Y502 PolarHBondContact N-O 2.91Å; I482-Y502 PolarHBondContact O-N 3.28Å; I482-V504 HydrophobicContact CD1-CG2 4.5Å; I482-V504 HydrophobicContact CG1-CG2 4.26Å
483	Y	98.3	Very high	95.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.1	178.7	-63.8	-95.9	0	0	0	109.6	V475 A476 A478 Q481 E500 R501 I512 I531 Y549 P551	V475-Y483 WeakPolarHBondContact CA-O 3.06Å; V475-Y483 WeakPolarHBondContact CB-O 2.91Å; A476-Y483 PolarHBondContact N-O 3.28Å; A476-Y483 PolarHBondContact O-N 2.92Å; A478-Y483 HydrophobicContact CB-CE2 4.43Å; Q481-Y483 HydrophobicContact CB-CE2 3.89Å; Q481-Y483 WeakPolarHBondContact O-CE2 3.24Å; Q481-Y483 PolarHBondContact OE1-OH 2.88Å; Q481-Y483 VanDerWaalsContact OE1-OH 3.09Å; Y483-E500 CarbonylContact C-O 3.44Å; Y483-E500 WeakPolarHBondContact CA-O 3.23Å; Y483-R501 HydrophobicContact CD1-CB 3.92Å; Y483-R501 HydrophobicContact CE1-CB 3.84Å; Y483-I512 HydrophobicContact CD1-CD1 4.01Å; Y483-I512 HydrophobicContact CE1-CD1 4.32Å; Y483-I531 HydrophobicContact CD1-CG1 4.24Å; Y483-I531 HydrophobicContact CD2-CD1 3.66Å; Y483-I531 HydrophobicContact CD2-CG1 3.71Å; Y483-I531 HydrophobicContact CE1-CG1 4.3Å; Y483-I531 HydrophobicContact CE2-CD1 3.79Å; Y483-I531 HydrophobicContact CE2-CG1 3.8Å; Y483-I531 HydrophobicContact CG-CD1 4.33Å; Y483-I531 HydrophobicContact CG-CG1 3.95Å; Y483-I531 HydrophobicContact CG-CG2 4.48Å; Y483-Y549 HydrophobicContact CD1-CD1 4.34Å; Y483-Y549 HydrophobicContact CD1-CE1 4.37Å; Y483-Y549 AromaticContact CE1-CD1 3.86Å; Y483-Y549 HydrophobicContact CE1-CD1 3.86Å; Y483-Y549 AromaticContact CE1-CE1 3.57Å; Y483-Y549 HydrophobicContact CE1-CE1 3.57Å; Y483-P551 WeakPolarHBondContact OH-CG 3.34Å
484	A	98.4	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.6	172.5	0	0	0	0	0	108.9	I437 M466 V473 A499 E500 W509	I437-A484 HydrophobicContact CG2-CB 4.16Å; M466-A484 HydrophobicContact SD-CB 3.58Å; M466-A484 VanDerWaalsContact SD-CB 3.58Å; V473-A484 HydrophobicContact CG2-CB 4.15Å; A484-A499 WeakPolarHBondContact O-CA 3.43Å; A484-E500 PolarHBondContact N-O 2.92Å; A484-E500 PolarHBondContact O-N 3.11Å; A484-W509 HydrophobicContact CB-CH2 3.69Å; A484-W509 HydrophobicContact CB-CZ3 3.61Å
485	I	98.4	Very high	95.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.5	-160.9	-62.7	157.3	0	0	0	108.9	S474 A499 M515 A524 I531 V533 W556	S474-I485 PolarHBondContact N-O 2.89Å; S474-I485 VanDerWaalsContact N-O 3.08Å; S474-I485 PolarHBondContact O-N 2.81Å; I485-A499 HydrophobicContact CB-CB 4.45Å; I485-A499 HydrophobicContact CG1-CB 4.09Å; I485-M515 HydrophobicContact CG2-CE 3.74Å; I485-M515 HydrophobicContact CG2-CG 4.27Å; I485-M515 HydrophobicContact CG2-SD 3.33Å; I485-M515 WeakPolarHBondContact CG2-SD 3.31Å; I485-A524 HydrophobicContact CD1-CB 3.84Å; I485-I531 HydrophobicContact CD1-CG2 3.58Å; I485-V533 HydrophobicContact CG2-CB 4.21Å; I485-V533 HydrophobicContact CG2-CG1 4.33Å; I485-V533 HydrophobicContact CG2-CG2 3.94Å; I485-W556 HydrophobicContact CD1-CH2 3.95Å; I485-W556 HydrophobicContact CG1-CH2 4.04Å; I485-W556 HydrophobicContact CG1-CZ2 4.38Å; I485-W556 HydrophobicContact CG2-CH2 3.86Å; I485-W556 HydrophobicContact CG2-CZ2 4.33Å
486	G	98	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.			trans	59	-140.8	177.7	0	0	0	0	0	113.6	R470 L496 S498	R470-G486 PolarHBondContact NH1-O 3.36Å; G486-L496 WeakPolarHBondContact CA-O 3.45Å; G486-S498 PolarHBondContact N-O 3.2Å
487	G	97	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.			trans	93.9	-158.2	-175	0	0	0	0	0	112.9	Y471 Y472 R495 L496 R519	Y471-G487 CarbonylContact O-C 3.48Å; Y471-G487 VanDerWaalsContact O-CA 3.27Å; Y471-G487 WeakPolarHBondContact O-CA 3.11Å; Y472-G487 WeakPolarHBondContact O-CA 3.19Å; G487-R495 WeakPolarHBondContact O-CA 3.47Å; G487-L496 PolarHBondContact O-N 3.3Å; G487-R519 PolarHBondContact N-O 3.46Å
488	H	96.8	Very high	96	Very high	18 Å²	18	38.9 Å²	38.9	8%	0.083	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-132.3	135.2	-177.6	-162.1	-75.2	0	0	0	110.2	R470 Y471 Y472 G490 E491 G494 R495	R470-H488 WeakPolarHBondContact CA-O 3.36Å; Y471-H488 HydrophobicContact CD1-CB 4.09Å; Y471-H488 WeakPolarHBondContact CD1-O 3.47Å; Y471-H488 HydrophobicContact CE1-CB 3.74Å; Y471-H488 AromaticContact CE1-CG 3.92Å; Y471-H488 AromaticContact CE1-ND1 3.52Å; Y471-H488 WeakPolarHBondContact CE1-O 3.35Å; Y471-H488 HydrophobicContact CE2-CB 4.48Å; Y471-H488 AromaticContact CZ-CG 3.94Å; Y471-H488 AromaticContact CZ-ND1 3.64Å; Y471-H488 PolarHBondContact N-O 2.87Å; Y471-H488 PolarHBondContact O-N 3.06Å; Y471-H488 PolarHBondContact OH-ND1 2.88Å; Y472-H488 HydrophobicContact CD2-CB 4.48Å; H488-G490 PolarHBondContact ND1-N 2.82Å; H488-G490 VanDerWaalsContact ND1-N 3.12Å; H488-E491 PolarHBondContact CE1-O 2.89Å; H488-E491 VanDerWaalsContact CE1-O 3.23Å; H488-G494 CarbonylContact C-O 3.59Å; H488-G494 VanDerWaalsContact CA-O 3.26Å; H488-G494 WeakPolarHBondContact CA-O 3.26Å; H488-R495 VanDerWaalsContact CD2-CG 3.43Å; H488-R495 WeakPolarHBondContact CD2-CG 3.45Å
489	N	96.9	Very high	96.2	Very high	24 Å²	24	38.7 Å²	38.7	13%	0.128	23%	0.225	C	C	.	.			trans	-89.5	-12.6	-177	81.9	-9.3	0	0	0	114.4	A445 N469 E491 G494 L496	A445-N489 WeakPolarHBondContact CB-O 3.37Å; N469-N489 VanDerWaalsContact O-CA 3.23Å; N469-N489 WeakPolarHBondContact O-CA 3.18Å; N469-N489 WeakPolarHBondContact O-CB 3.38Å; N489-E491 PolarHBondContact ND2-OE2 3.35Å; N489-E491 VanDerWaalsContact OD1-CB 3.31Å; N489-E491 WeakPolarHBondContact OD1-CB 3.33Å; N489-E491 WeakPolarHBondContact OD1-CG 3.23Å; N489-E491 PolarHBondContact OD1-N 3.49Å; N489-G494 PolarHBondContact N-O 3.32Å; N489-G494 VanDerWaalsContact OD1-CA 3.32Å; N489-G494 WeakPolarHBondContact OD1-CA 3.18Å; N489-G494 PolarHBondContact OD1-O 2.8Å; N489-L496 HydrophobicContact CB-CD1 4.44Å; N489-L496 HydrophobicContact CB-CD2 4.42Å
490	G	94.6	Very high	96.5	Very high	44 Å²	44	34 Å²	34	45%	0.454	20%	0.2	S	C	.	.	S	Bend	trans	106.9	-9.8	178.1	0	0	0	0	0	114.7	H488	H488-G490 PolarHBondContact ND1-N 2.82Å; H488-G490 VanDerWaalsContact ND1-N 3.12Å
491	E	95	Very high	96.8	Very high	131 Å²	131	35.4 Å²	35.4	61%	0.612	20%	0.197	S	C	*	.	S	Bend	trans	-89.3	167.8	-178	-57.4	-179.5	133.3	0	0	112.6	H488 N489 G493 G494	H488-E491 PolarHBondContact CE1-O 2.89Å; H488-E491 VanDerWaalsContact CE1-O 3.23Å; N489-E491 PolarHBondContact ND2-OE2 3.35Å; N489-E491 VanDerWaalsContact OD1-CB 3.31Å; N489-E491 WeakPolarHBondContact OD1-CB 3.33Å; N489-E491 WeakPolarHBondContact OD1-CG 3.23Å; N489-E491 PolarHBondContact OD1-N 3.49Å; E491-G493 PolarHBondContact O-N 2.77Å; E491-G493 VanDerWaalsContact O-N 3.15Å; E491-G494 PolarHBondContact O-N 2.89Å
492	H	91.2	Very high	96.9	Very high	203 Å²	203	34.1 Å²	34.1	94%	0.94	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	112.9	178.4	-177.7	81.3	0	0	0	111.2	G494	H492-G494 VanDerWaalsContact C-N 3.28Å
493	G	90.4	Very high	96.8	Very high	60 Å²	60	35.1 Å²	35.1	62%	0.619	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	6.8	-172.9	0	0	0	0	0	113.8	E491 R495	E491-G493 PolarHBondContact O-N 2.77Å; E491-G493 VanDerWaalsContact O-N 3.15Å; G493-R495 PolarHBondContact O-N 2.61Å
494	G	96.1	Very high	96.5	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	20%	0.203	C	C	.	.			trans	-74.1	43.3	-173.2	0	0	0	0	0	115.7	H488 N489 E491 H492	H488-G494 CarbonylContact C-O 3.59Å; H488-G494 VanDerWaalsContact CA-O 3.26Å; H488-G494 WeakPolarHBondContact CA-O 3.26Å; N489-G494 PolarHBondContact N-O 3.32Å; N489-G494 VanDerWaalsContact OD1-CA 3.32Å; N489-G494 WeakPolarHBondContact OD1-CA 3.18Å; N489-G494 PolarHBondContact OD1-O 2.8Å; E491-G494 PolarHBondContact O-N 2.89Å; H492-G494 VanDerWaalsContact C-N 3.28Å
495	R	97.4	Very high	96.2	Very high	56 Å²	56	43.8 Å²	43.8	21%	0.211	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-83.6	146.9	168	-73	179.9	167.7	78.3	9.4	110.1	G487 H488 G493 V518 S520 F537 D538	G487-R495 WeakPolarHBondContact O-CA 3.47Å; H488-R495 VanDerWaalsContact CD2-CG 3.43Å; H488-R495 WeakPolarHBondContact CD2-CG 3.45Å; G493-R495 PolarHBondContact O-N 2.61Å; R495-V518 HydrophobicContact CB-CG1 3.39Å; R495-S520 PolarHBondContact NE-OG 3.27Å; R495-F537 VanDerWaalsContact CD-O 3.3Å; R495-F537 WeakPolarHBondContact CD-O 3.4Å; R495-F537 PolarHBondContact NE-O 2.86Å; R495-D538 VanDerWaalsContact CD-O 3.3Å; R495-D538 WeakPolarHBondContact CD-O 3.2Å
496	L	98.1	Very high	96	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.084	27%	0.269	C	S	.	.			trans	-111.5	136.4	-168.3	-56.1	176.6	0	0	0	112.3	E468 R470 G486 G487 N489 R519	E468-L496 HydrophobicContact CB-CD1 4.16Å; E468-L496 HydrophobicContact CG-CD1 4.4Å; R470-L496 HydrophobicContact CG-CD1 3.97Å; G486-L496 WeakPolarHBondContact CA-O 3.45Å; G487-L496 PolarHBondContact O-N 3.3Å; N489-L496 HydrophobicContact CB-CD1 4.44Å; N489-L496 HydrophobicContact CB-CD2 4.42Å; L496-R519 PolarHBondContact O-N 3.3Å
497	D	98	Very high	95.8	Very high	62 Å²	62	53.1 Å²	53.1	33%	0.332	29%	0.29	S	S	.	.			trans	-90.2	-26.5	158	60.2	-23.2	0	0	0	111.7	S514 M515 V518	D497-S514 WeakPolarHBondContact OD2-CB 3.27Å; D497-S514 PolarHBondContact OD2-OG 3.33Å; D497-M515 WeakPolarHBondContact O-CB 3.44Å; D497-M515 VanDerWaalsContact O-CE 3.29Å; D497-M515 WeakPolarHBondContact O-CE 3.2Å; D497-M515 PolarHBondContact O-N 2.99Å; D497-V518 HydrophobicContact CB-CG2 3.78Å
498	S	98.4	Very high	95.8	Very high	27 Å²	27	56.4 Å²	56.4	19%	0.189	31%	0.306	C	S	.	.			trans	-61.8	150.1	-178.8	72.3	0	0	0	0	112.8	R470 G486	R470-S498 PolarHBondContact NH1-O 3.16Å; R470-S498 PolarHBondContact NH2-OG 3.38Å; G486-S498 PolarHBondContact N-O 3.2Å
499	A	98.4	Very high	95.9	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.1	174.1	0	0	0	0	0	111.1	A484 I485 I512 W556	A484-A499 WeakPolarHBondContact O-CA 3.43Å; I485-A499 HydrophobicContact CB-CB 4.45Å; I485-A499 HydrophobicContact CG1-CB 4.09Å; A499-I512 HydrophobicContact CB-CD1 3.83Å; A499-I512 HydrophobicContact CB-CG1 3.8Å; A499-I512 WeakPolarHBondContact O-CG1 3.37Å; A499-I512 PolarHBondContact O-N 3.11Å; A499-I512 VanDerWaalsContact O-N 3.11Å; A499-W556 HydrophobicContact CB-CZ2 3.88Å
500	E	98.4	Very high	95.9	Very high	2 Å²	2	57 Å²	57	1%	0.009	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.6	-178.7	-65	168.2	-113.9	0	0	109.8	M466 Y467 E468 R470 Y483 A484 W509 Q510 T511	M466-E500 WeakPolarHBondContact CA-OE2 3.27Å; M466-E500 WeakPolarHBondContact CB-OE2 3.28Å; Y467-E500 WeakPolarHBondContact CD2-OE2 3.3Å; Y467-E500 PolarHBondContact N-OE2 3.08Å; E468-E500 WeakPolarHBondContact CB-OE1 3.21Å; E468-E500 PolarHBondContact N-OE1 3.47Å; R470-E500 IonicContact CZ-OE1 2.91Å; R470-E500 VanDerWaalsContact CZ-OE1 3.26Å; R470-E500 IonicContact NE-OE1 3.72Å; R470-E500 PolarHBondContact NE-OE1 3.47Å; R470-E500 IonicContact NH2-OE1 3.26Å; R470-E500 PolarHBondContact NH2-OE1 2.94Å; Y483-E500 CarbonylContact C-O 3.44Å; Y483-E500 WeakPolarHBondContact CA-O 3.23Å; A484-E500 PolarHBondContact N-O 2.92Å; A484-E500 PolarHBondContact O-N 3.11Å; E500-W509 HydrophobicContact CB-CE3 3.73Å; E500-W509 HydrophobicContact CB-CZ3 4.09Å; E500-Q510 CarbonylContact C-O 3.59Å; E500-Q510 WeakPolarHBondContact CA-O 3.41Å; E500-T511 HydrophobicContact CG-CG2 4.43Å
501	R	98.1	Very high	96	Very high	55 Å²	55	59.6 Å²	59.6	21%	0.208	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.1	171.8	71	178.2	-177.2	-168.4	-8.3	111.4	I482 Y483 W509 Q510 I512	I482-R501 CarbonylContact O-C 3.54Å; I482-R501 VanDerWaalsContact O-CA 3.23Å; I482-R501 WeakPolarHBondContact O-CA 3.33Å; Y483-R501 HydrophobicContact CD1-CB 3.92Å; Y483-R501 HydrophobicContact CE1-CB 3.84Å; R501-W509 CarbonylContact O-C 3.52Å; R501-W509 VanDerWaalsContact O-CA 3.27Å; R501-W509 WeakPolarHBondContact O-CA 3.49Å; R501-Q510 HydrophobicContact CG-CB 4.09Å; R501-Q510 PolarHBondContact N-O 3.34Å; R501-Q510 PolarHBondContact O-N 2.94Å; R501-I512 HydrophobicContact CB-CG2 4.29Å; R501-I512 HydrophobicContact CG-CG2 3.88Å
502	Y	98.3	Very high	96.2	Very high	6 Å²	6	54.2 Å²	54.2	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.8	174	175.3	-106	0	0	0	109.3	Y435 Q481 I482 V504 N507 L508 W509	Y435-Y502 HydrophobicContact CD1-CE1 4.32Å; Y435-Y502 AromaticContact CE1-CE1 3.89Å; Y435-Y502 HydrophobicContact CE1-CE1 3.89Å; Q481-Y502 VanDerWaalsContact CA-O 3.27Å; Q481-Y502 WeakPolarHBondContact CA-O 3.42Å; I482-Y502 HydrophobicContact CB-CD1 4.47Å; I482-Y502 HydrophobicContact CD1-CD1 3.87Å; I482-Y502 HydrophobicContact CD1-CE1 4.39Å; I482-Y502 HydrophobicContact CG1-CD1 4.21Å; I482-Y502 PolarHBondContact N-O 2.91Å; I482-Y502 PolarHBondContact O-N 3.28Å; Y502-V504 HydrophobicContact CD1-CG2 3.85Å; Y502-V504 HydrophobicContact CE1-CB 4.19Å; Y502-V504 HydrophobicContact CE1-CG1 4.49Å; Y502-V504 HydrophobicContact CE1-CG2 3.86Å; Y502-N507 PolarHBondContact OH-OD1 3.41Å; Y502-N507 VanDerWaalsContact OH-OD1 3.04Å; Y502-L508 WeakPolarHBondContact CA-O 3.2Å; Y502-W509 AromaticContact CD2-CD1 3.72Å; Y502-W509 HydrophobicContact CD2-CD2 4.18Å; Y502-W509 AromaticContact CD2-CE2 3.83Å; Y502-W509 HydrophobicContact CD2-CG 4.14Å; Y502-W509 HydrophobicContact CD2-CZ2 4.42Å; Y502-W509 AromaticContact CD2-NE1 3.5Å; Y502-W509 HydrophobicContact CG-CD2 4.39Å; Y502-W509 HydrophobicContact CG-CZ2 4.22Å
503	I	95.8	Very high	96.5	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.108	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.1	172.9	-55.9	-178.2	0	0	0	107.5	Q481 D505 E506 N507 L508 Q510	Q481-I503 HydrophobicContact CG-CG1 4.28Å; I503-D505 PolarHBondContact O-N 2.8Å; I503-E506 HydrophobicContact CB-CB 4.1Å; I503-E506 HydrophobicContact CB-CG 4.37Å; I503-E506 HydrophobicContact CG2-CB 3.92Å; I503-E506 HydrophobicContact CG2-CG 3.76Å; I503-E506 PolarHBondContact O-N 3.09Å; I503-N507 PolarHBondContact O-N 3.31Å; I503-L508 PolarHBondContact N-O 3.1Å; I503-L508 PolarHBondContact O-N 3.4Å; I503-Q510 VanDerWaalsContact CD1-NE2 3.32Å
504	V	93.6	Very high	96.9	Very high	26 Å²	26	45.8 Å²	45.8	16%	0.158	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-43	-167.2	176.7	0	0	0	0	112.1	I430 G480 I482 Y502 N507	I430-V504 HydrophobicContact CD1-CG2 3.73Å; G480-V504 VanDerWaalsContact O-CG2 3.28Å; G480-V504 WeakPolarHBondContact O-CG2 3.48Å; G480-V504 PolarHBondContact O-N 2.8Å; I482-V504 HydrophobicContact CD1-CG2 4.5Å; I482-V504 HydrophobicContact CG1-CG2 4.26Å; Y502-V504 HydrophobicContact CD1-CG2 3.85Å; Y502-V504 HydrophobicContact CE1-CB 4.19Å; Y502-V504 HydrophobicContact CE1-CG1 4.49Å; Y502-V504 HydrophobicContact CE1-CG2 3.86Å; V504-N507 PolarHBondContact O-N 3.48Å
505	D	90.8	Very high	97	Very high	158 Å²	158	45.8 Å²	45.8	85%	0.845	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-28.3	-178.3	-61.7	-46.2	0	0	0	113.3	I503	I503-D505 PolarHBondContact O-N 2.8Å
506	E	94.3	Very high	97.1	Very high	117 Å²	117	47.3 Å²	47.3	55%	0.547	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.4	175.1	-67.4	179.2	-156.2	0	0	112.8	I503 L508	I503-E506 HydrophobicContact CB-CB 4.1Å; I503-E506 HydrophobicContact CB-CG 4.37Å; I503-E506 HydrophobicContact CG2-CB 3.92Å; I503-E506 HydrophobicContact CG2-CG 3.76Å; I503-E506 PolarHBondContact O-N 3.09Å; E506-L508 VanDerWaalsContact C-N 3.35Å; E506-L508 HydrophobicContact CB-CB 4.05Å
507	N	94.6	Very high	97	Very high	79 Å²	79	50.5 Å²	50.5	42%	0.422	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	52.4	-168.8	-177.4	25.4	0	0	0	111.6	S464 Y502 I503 V504	S464-N507 WeakPolarHBondContact CB-O 3.44Å; S464-N507 WeakPolarHBondContact CB-OD1 3.39Å; S464-N507 PolarHBondContact N-OD1 3.45Å; Y502-N507 PolarHBondContact OH-OD1 3.41Å; Y502-N507 VanDerWaalsContact OH-OD1 3.04Å; I503-N507 PolarHBondContact O-N 3.31Å; V504-N507 PolarHBondContact O-N 3.48Å
508	L	96.3	Very high	97	Very high	68 Å²	68	50.1 Å²	50.1	36%	0.356	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.3	-172.7	-178.1	59	0	0	0	112	Y502 I503 E506	Y502-L508 WeakPolarHBondContact CA-O 3.2Å; I503-L508 PolarHBondContact N-O 3.1Å; I503-L508 PolarHBondContact O-N 3.4Å; E506-L508 VanDerWaalsContact C-N 3.35Å; E506-L508 HydrophobicContact CB-CB 4.05Å
509	W	98.2	Very high	97	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	147.3	166	-72.3	90.6	0	0	0	111.3	I437 T449 S464 M466 Y467 A484 E500 R501 Y502	I437-W509 HydrophobicContact CD1-CH2 4.21Å; I437-W509 HydrophobicContact CD1-CZ2 4.37Å; I437-W509 HydrophobicContact CG1-CZ2 4.31Å; I437-W509 HydrophobicContact CG2-CH2 4.08Å; I437-W509 HydrophobicContact CG2-CZ2 4.17Å; T449-W509 HydrophobicContact CG2-CZ2 4.46Å; T449-W509 WeakPolarHBondContact OG1-CZ2 3.46Å; T449-W509 PolarHBondContact OG1-NE1 2.68Å; T449-W509 VanDerWaalsContact OG1-NE1 3.14Å; S464-W509 PolarHBondContact O-NE1 3.09Å; M466-W509 HydrophobicContact CG-CD2 3.7Å; M466-W509 HydrophobicContact CG-CE3 3.95Å; M466-W509 HydrophobicContact CG-CG 4.34Å; M466-W509 HydrophobicContact CG-CH2 3.97Å; M466-W509 HydrophobicContact CG-CZ2 3.7Å; M466-W509 HydrophobicContact CG-CZ3 4.08Å; M466-W509 HydrophobicContact SD-CH2 4.14Å; M466-W509 HydrophobicContact SD-CZ2 4.29Å; M466-W509 HydrophobicContact SD-CZ3 4.42Å; Y467-W509 HydrophobicContact CD2-CB 4.42Å; Y467-W509 HydrophobicContact CE2-CB 4.23Å; Y467-W509 WeakPolarHBondContact CE2-O 3.47Å; A484-W509 HydrophobicContact CB-CH2 3.69Å; A484-W509 HydrophobicContact CB-CZ3 3.61Å; E500-W509 HydrophobicContact CB-CE3 3.73Å; E500-W509 HydrophobicContact CB-CZ3 4.09Å; R501-W509 CarbonylContact O-C 3.52Å; R501-W509 VanDerWaalsContact O-CA 3.27Å; R501-W509 WeakPolarHBondContact O-CA 3.49Å; Y502-W509 AromaticContact CD2-CD1 3.72Å; Y502-W509 HydrophobicContact CD2-CD2 4.18Å; Y502-W509 AromaticContact CD2-CE2 3.83Å; Y502-W509 HydrophobicContact CD2-CG 4.14Å; Y502-W509 HydrophobicContact CD2-CZ2 4.42Å; Y502-W509 AromaticContact CD2-NE1 3.5Å; Y502-W509 HydrophobicContact CG-CD2 4.39Å; Y502-W509 HydrophobicContact CG-CZ2 4.22Å
510	Q	97.6	Very high	96.9	Very high	53 Å²	53	48.8 Å²	48.8	25%	0.248	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.1	174.5	-63.3	178.9	-3.3	0	0	108.7	E500 R501 I503	E500-Q510 CarbonylContact C-O 3.59Å; E500-Q510 WeakPolarHBondContact CA-O 3.41Å; R501-Q510 HydrophobicContact CG-CB 4.09Å; R501-Q510 PolarHBondContact N-O 3.34Å; R501-Q510 PolarHBondContact O-N 2.94Å; I503-Q510 VanDerWaalsContact CD1-NE2 3.32Å
511	T	98	Very high	96.7	Very high	100 Å²	100	50.1 Å²	50.1	61%	0.613	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.6	168.1	51.2	0	0	0	0	110.6	Y467 E500	Y467-T511 HydrophobicContact CD2-CG2 4.11Å; E500-T511 HydrophobicContact CG-CG2 4.43Å
512	I	98.2	Very high	96.5	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.092	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	177.9	167.3	56.7	167.4	0	0	0	109.4	Y483 A499 R501 Y549 W556	Y483-I512 HydrophobicContact CD1-CD1 4.01Å; Y483-I512 HydrophobicContact CE1-CD1 4.32Å; A499-I512 HydrophobicContact CB-CD1 3.83Å; A499-I512 HydrophobicContact CB-CG1 3.8Å; A499-I512 WeakPolarHBondContact O-CG1 3.37Å; A499-I512 PolarHBondContact O-N 3.11Å; A499-I512 VanDerWaalsContact O-N 3.11Å; R501-I512 HydrophobicContact CB-CG2 4.29Å; R501-I512 HydrophobicContact CG-CG2 3.88Å; I512-Y549 HydrophobicContact CB-CE2 4.15Å; I512-Y549 HydrophobicContact CD1-CD1 4.2Å; I512-Y549 HydrophobicContact CD1-CD2 3.99Å; I512-Y549 HydrophobicContact CD1-CE1 3.99Å; I512-Y549 HydrophobicContact CD1-CE2 3.77Å; I512-Y549 HydrophobicContact CD1-CG 4.2Å; I512-Y549 HydrophobicContact CG1-CE2 4.46Å; I512-W556 HydrophobicContact CD1-CZ2 4.37Å
513	S	98.2	Very high	96.4	Very high	27 Å²	27	49 Å²	49	19%	0.189	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-51.7	145.7	172.7	48.7	0	0	0	0	113.2	D554 W556	S513-D554 WeakPolarHBondContact CB-OD1 3.23Å; S513-D554 PolarHBondContact N-OD1 3.27Å; S513-D554 PolarHBondContact OG-O 3.39Å; S513-D554 VanDerWaalsContact OG-O 3.07Å; S513-D554 PolarHBondContact OG-OD1 3.33Å; S513-W556 PolarHBondContact O-NE1 3.16Å
514	S	98.4	Very high	96.5	Very high	58 Å²	58	48.4 Å²	48.4	41%	0.406	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-71.8	149.6	172.2	-69.3	0	0	0	0	111.9	D497 W556	D497-S514 WeakPolarHBondContact OD2-CB 3.27Å; D497-S514 PolarHBondContact OD2-OG 3.33Å; S514-W556 VanDerWaalsContact C-CD1 3.47Å
515	M	98.4	Very high	96.6	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.044	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.9	162	169.4	-69.4	-178.5	-72.3	0	0	112.6	I485 D497 Y517 R519 V533 W556	I485-M515 HydrophobicContact CG2-CE 3.74Å; I485-M515 HydrophobicContact CG2-CG 4.27Å; I485-M515 HydrophobicContact CG2-SD 3.33Å; I485-M515 WeakPolarHBondContact CG2-SD 3.31Å; D497-M515 WeakPolarHBondContact O-CB 3.44Å; D497-M515 VanDerWaalsContact O-CE 3.29Å; D497-M515 WeakPolarHBondContact O-CE 3.2Å; D497-M515 PolarHBondContact O-N 2.99Å; M515-Y517 VanDerWaalsContact C-N 3.26Å; M515-Y517 PolarHBondContact O-N 3.43Å; M515-R519 HydrophobicContact CE-CG 3.63Å; M515-R519 HydrophobicContact SD-CG 3.91Å; M515-V533 HydrophobicContact SD-CG1 3.73Å; M515-W556 HydrophobicContact CG-CD2 3.89Å; M515-W556 HydrophobicContact CG-CE3 4.08Å; M515-W556 HydrophobicContact CG-CH2 3.94Å; M515-W556 HydrophobicContact CG-CZ2 3.74Å; M515-W556 HydrophobicContact CG-CZ3 4.12Å; M515-W556 HydrophobicContact SD-CH2 4.43Å
516	N	98.2	Very high	96.9	Very high	88 Å²	88	43.3 Å²	43.3	47%	0.471	24%	0.239	S	C	.	.	S	Bend	trans	-71.5	-21.2	170.7	-64.7	-93.2	0	0	0	112.5	E547 W556 L558	N516-E547 VanDerWaalsContact CB-OE2 3.3Å; N516-E547 WeakPolarHBondContact CB-OE2 3.42Å; N516-E547 PolarHBondContact N-OE2 3.18Å; N516-E547 PolarHBondContact ND2-OE2 3.09Å; N516-W556 PolarHBondContact ND2-O 3.4Å; N516-L558 HydrophobicContact CB-CD1 4.06Å; N516-L558 HydrophobicContact CB-CD2 4.44Å; N516-L558 HydrophobicContact CB-CG 4.23Å
517	Y	97.6	Very high	97	Very high	84 Å²	84	37.7 Å²	37.7	33%	0.329	21%	0.213	S	C	.	.	S	Bend	trans	-133	130.1	178.9	-67.9	-79.6	0	0	0	113.1	M515 R519 H543 E547 L558	M515-Y517 VanDerWaalsContact C-N 3.26Å; M515-Y517 PolarHBondContact O-N 3.43Å; Y517-R519 PolarHBondContact O-N 2.78Å; Y517-H543 AromaticContact CD1-CE1 3.82Å; Y517-E547 PolarHBondContact N-OE1 2.74Å; Y517-L558 HydrophobicContact CD2-CD2 3.98Å; Y517-L558 HydrophobicContact CE2-CD1 4.11Å; Y517-L558 HydrophobicContact CE2-CD2 3.65Å
518	V	98.1	Very high	97	Very high	54 Å²	54	38.5 Å²	38.5	33%	0.327	21%	0.214	S	C	.	.			trans	-59	127.6	164.8	172.6	0	0	0	0	109.8	R495 D497	R495-V518 HydrophobicContact CB-CG1 3.39Å; D497-V518 HydrophobicContact CB-CG2 3.78Å
519	R	97.4	Very high	96.9	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	21%	0.209	C	C	.	.			trans	-152.1	130.4	179.9	57	-179.1	82.7	-152.5	17.1	113.4	G487 L496 M515 Y517 G535 S545 E547	G487-R519 PolarHBondContact N-O 3.46Å; L496-R519 PolarHBondContact O-N 3.3Å; M515-R519 HydrophobicContact CE-CG 3.63Å; M515-R519 HydrophobicContact SD-CG 3.91Å; Y517-R519 PolarHBondContact O-N 2.78Å; R519-G535 PolarHBondContact NH1-O 2.92Å; R519-S545 PolarHBondContact NH1-O 3Å; R519-E547 IonicContact CZ-OE1 3.66Å; R519-E547 IonicContact NE-OE1 3.81Å; R519-E547 IonicContact NH2-OE1 2.75Å; R519-E547 PolarHBondContact NH2-OE1 2.96Å
520	S	96.6	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-100.8	166	154.9	71	0	0	0	0	109.8	R495 G522 G536 F537	R495-S520 PolarHBondContact NE-OG 3.27Å; S520-G522 PolarHBondContact O-N 2.67Å; S520-G522 VanDerWaalsContact O-N 3.08Å; S520-G536 CarbonylContact O-C 3.43Å; S520-G536 WeakPolarHBondContact O-CA 2.98Å; S520-F537 PolarHBondContact N-O 3.19Å; S520-F537 PolarHBondContact O-N 3.23Å; S520-F537 PolarHBondContact OG-O 2.78Å
521	D	94	Very high	96.9	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.16	21%	0.207	C	C	.	.	S	Bend	trans	63.2	18.8	169.9	-52.4	-100.2	0	0	0	114.9	Y472 G568	Y472-D521 WeakPolarHBondContact CD1-OD1 3.02Å; Y472-D521 WeakPolarHBondContact CE1-OD1 3.46Å; Y472-D521 PolarHBondContact O-N 2.82Å; Y472-D521 VanDerWaalsContact O-N 3.14Å; D521-G568 PolarHBondContact O-N 3.4Å
522	G	94.8	Very high	97	Very high	13 Å²	13	31.9 Å²	31.9	13%	0.134	18%	0.179	C	C	.	.			trans	-82.3	179.5	170.5	0	0	0	0	0	111.9	S474 S520 I534	S474-G522 PolarHBondContact OG-O 3.35Å; S520-G522 PolarHBondContact O-N 2.67Å; S520-G522 VanDerWaalsContact O-N 3.08Å; G522-I534 VanDerWaalsContact CA-O 3.3Å; G522-I534 WeakPolarHBondContact CA-O 3.21Å
523	S	95.8	Very high	97	Very high	23 Å²	23	31 Å²	31	16%	0.161	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.7	172.5	-156.2	0	0	0	0	110.7	S474 V533 I534 V569 L571	S474-S523 PolarHBondContact OG-N 3.14Å; S523-V533 CarbonylContact O-C 3.51Å; S523-V533 WeakPolarHBondContact O-CA 3.11Å; S523-I534 PolarHBondContact N-O 2.94Å; S523-I534 VanDerWaalsContact N-O 3.09Å; S523-I534 WeakPolarHBondContact O-CG1 3.35Å; S523-I534 PolarHBondContact O-N 2.82Å; S523-V569 VanDerWaalsContact CB-O 3.29Å; S523-V569 WeakPolarHBondContact CB-O 3.39Å; S523-L571 WeakPolarHBondContact OG-CB 3.36Å; S523-L571 PolarHBondContact OG-N 3.03Å; S523-L571 VanDerWaalsContact OG-N 3.15Å
524	A	97.2	Very high	96.9	Very high	10 Å²	10	29.7 Å²	29.7	8%	0.083	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.7	-176.6	0	0	0	0	0	111.4	A476 I485 Y532 V533	A476-A524 HydrophobicContact CB-CB 4.02Å; I485-A524 HydrophobicContact CD1-CB 3.84Å; A524-Y532 CarbonylContact C-O 3.57Å; A524-Y532 WeakPolarHBondContact CA-O 3.26Å; A524-Y532 WeakPolarHBondContact CB-O 3.41Å; A524-V533 HydrophobicContact CB-CB 4.36Å; A524-V533 HydrophobicContact CB-CG2 4.31Å
525	G	95.8	Very high	96.9	Very high	12 Å²	12	27 Å²	27	12%	0.124	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	157.4	-175.4	0	0	0	0	0	112.2	I531 Y532	G525-I531 CarbonylContact O-C 3.47Å; G525-Y532 PolarHBondContact N-O 3.08Å; G525-Y532 PolarHBondContact O-N 2.85Å
526	E	96.7	Very high	96.8	Very high	64 Å²	64	26.5 Å²	26.5	30%	0.299	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.2	175	-173.5	-76.5	135.1	0	0	110.1	Y477 A478 H528 G529 K530 I531 Q573	Y477-E526 WeakPolarHBondContact O-CB 3.28Å; A478-E526 HydrophobicContact CB-CB 4.38Å; A478-E526 HydrophobicContact CB-CG 3.57Å; E526-H528 PolarHBondContact OE1-N 2.81Å; E526-G529 PolarHBondContact OE1-N 3.18Å; E526-K530 WeakPolarHBondContact CA-O 3.19Å; E526-I531 HydrophobicContact CB-CD1 4.39Å; E526-Q573 WeakPolarHBondContact O-CG 3.44Å
527	L	96.8	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	125	161.6	175.9	65.4	0	0	0	109.9	G529 K530 Y532 Q573 L578 P598	L527-G529 VanDerWaalsContact C-N 3.29Å; L527-G529 PolarHBondContact O-N 2.88Å; L527-K530 PolarHBondContact N-O 2.76Å; L527-K530 PolarHBondContact O-N 3.18Å; L527-K530 VanDerWaalsContact O-N 3.11Å; L527-Y532 HydrophobicContact CB-CD2 4.03Å; L527-Y532 HydrophobicContact CB-CE2 3.83Å; L527-Y532 HydrophobicContact CD2-CE2 4.41Å; L527-Y532 HydrophobicContact CG-CE2 4.44Å; L527-Q573 HydrophobicContact CB-CG 4.47Å; L527-Q573 HydrophobicContact CD1-CG 3.87Å; L527-L578 HydrophobicContact CB-CD1 4.19Å; L527-L578 HydrophobicContact CB-CD2 4.36Å; L527-L578 HydrophobicContact CB-CG 4.16Å; L527-L578 HydrophobicContact CD2-CD1 4.14Å; L527-L578 HydrophobicContact CD2-CG 3.93Å; L527-P598 HydrophobicContact CD2-CB 4.02Å; L527-P598 HydrophobicContact CD2-CG 3.99Å
528	H	95.3	Very high	96.6	Very high	96 Å²	96	22.8 Å²	22.8	44%	0.444	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	40.6	177	-55.5	148.3	0	0	0	114	E526 K530 D576	E526-H528 PolarHBondContact OE1-N 2.81Å; H528-K530 VanDerWaalsContact C-N 3.29Å; H528-K530 PolarHBondContact O-N 2.76Å; H528-D576 IonicContact CD2-OD1 3.62Å; H528-D576 IonicContact CE1-OD1 3.37Å; H528-D576 IonicContact NE2-OD1 3.61Å; H528-D576 PolarHBondContact NE2-OD1 3.18Å
529	G	94.7	Very high	96.3	Very high	25 Å²	25	21.7 Å²	21.7	26%	0.258	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	1.5	179.4	0	0	0	0	0	114.9	E526 L527 P551	E526-G529 PolarHBondContact OE1-N 3.18Å; L527-G529 VanDerWaalsContact C-N 3.29Å; L527-G529 PolarHBondContact O-N 2.88Å; G529-P551 WeakPolarHBondContact O-CD 3.27Å
530	K	97.5	Very high	96.2	Very high	47 Å²	47	31.5 Å²	31.5	20%	0.204	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146	-178.9	-56.3	174.6	-174.6	-119.4	0	110.3	E526 L527 H528 Y532 Y548 E550	E526-K530 WeakPolarHBondContact CA-O 3.19Å; L527-K530 PolarHBondContact N-O 2.76Å; L527-K530 PolarHBondContact O-N 3.18Å; L527-K530 VanDerWaalsContact O-N 3.11Å; H528-K530 VanDerWaalsContact C-N 3.29Å; H528-K530 PolarHBondContact O-N 2.76Å; K530-Y532 HydrophobicContact CB-CD2 4.39Å; K530-Y532 HydrophobicContact CB-CE2 3.9Å; K530-Y548 HydrophobicContact CB-CD2 4.1Å; K530-Y548 HydrophobicContact CB-CG 4.32Å; K530-Y548 HydrophobicContact CD-CD1 4.41Å; K530-Y548 HydrophobicContact CD-CD2 3.78Å; K530-Y548 HydrophobicContact CD-CE1 4.36Å; K530-Y548 HydrophobicContact CD-CE2 3.77Å; K530-Y548 HydrophobicContact CD-CG 4.15Å; K530-Y548 HydrophobicContact CG-CD2 4.19Å; K530-Y548 HydrophobicContact CG-CE2 4.46Å; K530-Y548 PolarHBondContact NZ-OH 2.82Å; K530-E550 WeakPolarHBondContact CE-OE1 3.09Å; K530-E550 IonicContact NZ-OE1 2.69Å; K530-E550 PolarHBondContact NZ-OE1 3.46Å
531	I	98.3	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	104.9	178.8	-52.1	-62.4	0	0	0	109.5	A476 A478 Y483 I485 G525 E526 Y548 Y549	A476-I531 HydrophobicContact CB-CD1 4.2Å; A476-I531 HydrophobicContact CB-CG2 3.62Å; A478-I531 HydrophobicContact CB-CD1 3.52Å; Y483-I531 HydrophobicContact CD1-CG1 4.24Å; Y483-I531 HydrophobicContact CD2-CD1 3.66Å; Y483-I531 HydrophobicContact CD2-CG1 3.71Å; Y483-I531 HydrophobicContact CE1-CG1 4.3Å; Y483-I531 HydrophobicContact CE2-CD1 3.79Å; Y483-I531 HydrophobicContact CE2-CG1 3.8Å; Y483-I531 HydrophobicContact CG-CD1 4.33Å; Y483-I531 HydrophobicContact CG-CG1 3.95Å; Y483-I531 HydrophobicContact CG-CG2 4.48Å; I485-I531 HydrophobicContact CD1-CG2 3.58Å; G525-I531 CarbonylContact O-C 3.47Å; E526-I531 HydrophobicContact CB-CD1 4.39Å; I531-Y548 CarbonylContact O-C 3.35Å; I531-Y548 WeakPolarHBondContact O-CA 3.21Å; I531-Y549 HydrophobicContact CG1-CD1 4.42Å; I531-Y549 PolarHBondContact N-O 2.96Å; I531-Y549 PolarHBondContact O-N 2.83Å
532	Y	98.4	Very high	96.2	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.7	175.9	-71	-102.4	0	0	0	110.8	A524 G525 L527 K530 V546 E547 Y548 V559 L578 Y596	A524-Y532 CarbonylContact C-O 3.57Å; A524-Y532 WeakPolarHBondContact CA-O 3.26Å; A524-Y532 WeakPolarHBondContact CB-O 3.41Å; G525-Y532 PolarHBondContact N-O 3.08Å; G525-Y532 PolarHBondContact O-N 2.85Å; L527-Y532 HydrophobicContact CB-CD2 4.03Å; L527-Y532 HydrophobicContact CB-CE2 3.83Å; L527-Y532 HydrophobicContact CD2-CE2 4.41Å; L527-Y532 HydrophobicContact CG-CE2 4.44Å; K530-Y532 HydrophobicContact CB-CD2 4.39Å; K530-Y532 HydrophobicContact CB-CE2 3.9Å; Y532-V546 HydrophobicContact CD1-CG1 4.28Å; Y532-E547 CarbonylContact C-O 3.6Å; Y532-E547 WeakPolarHBondContact CA-O 3.15Å; Y532-Y548 AromaticContact CE1-CD1 3.82Å; Y532-Y548 HydrophobicContact CE1-CD1 3.82Å; Y532-Y548 HydrophobicContact CE1-CG 4.25Å; Y532-Y548 AromaticContact CZ-CD1 3.93Å; Y532-V559 HydrophobicContact CE1-CG2 4.35Å; Y532-L578 HydrophobicContact CD1-CD1 3.84Å; Y532-L578 HydrophobicContact CD2-CD1 3.65Å; Y532-L578 HydrophobicContact CE1-CD1 4.41Å; Y532-L578 HydrophobicContact CE2-CD1 4.25Å; Y532-L578 HydrophobicContact CG-CD1 3.42Å; Y532-L578 VanDerWaalsContact CG-CD1 3.42Å; Y532-Y596 HydrophobicContact CE1-CD1 4.46Å; Y532-Y596 AromaticContact CE1-CE1 3.75Å; Y532-Y596 HydrophobicContact CE1-CE1 3.75Å
533	V	98.3	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127	167	67.8	0	0	0	0	110.4	I485 M515 S523 A524 V546 E547 W556	I485-V533 HydrophobicContact CG2-CB 4.21Å; I485-V533 HydrophobicContact CG2-CG1 4.33Å; I485-V533 HydrophobicContact CG2-CG2 3.94Å; M515-V533 HydrophobicContact SD-CG1 3.73Å; S523-V533 CarbonylContact O-C 3.51Å; S523-V533 WeakPolarHBondContact O-CA 3.11Å; A524-V533 HydrophobicContact CB-CB 4.36Å; A524-V533 HydrophobicContact CB-CG2 4.31Å; V533-V546 WeakPolarHBondContact O-CA 3.48Å; V533-E547 HydrophobicContact CG1-CG 3.62Å; V533-E547 PolarHBondContact N-O 3Å; V533-E547 PolarHBondContact O-N 2.91Å; V533-W556 HydrophobicContact CB-CZ3 4.38Å; V533-W556 HydrophobicContact CG1-CE3 4.4Å; V533-W556 HydrophobicContact CG1-CH2 4.18Å; V533-W556 HydrophobicContact CG1-CZ3 3.6Å
534	I	97.9	Very high	96.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.4	-176.4	66.5	158	0	0	0	111.1	G522 S523 V546 M562 V569 L571 A580 W603	G522-I534 VanDerWaalsContact CA-O 3.3Å; G522-I534 WeakPolarHBondContact CA-O 3.21Å; S523-I534 PolarHBondContact N-O 2.94Å; S523-I534 VanDerWaalsContact N-O 3.09Å; S523-I534 WeakPolarHBondContact O-CG1 3.35Å; S523-I534 PolarHBondContact O-N 2.82Å; I534-V546 HydrophobicContact CB-CG2 4.21Å; I534-V546 HydrophobicContact CG2-CB 4.37Å; I534-V546 HydrophobicContact CG2-CG1 3.73Å; I534-V546 HydrophobicContact CG2-CG2 3.82Å; I534-M562 HydrophobicContact CB-CE 4.32Å; I534-M562 HydrophobicContact CB-SD 4.21Å; I534-M562 HydrophobicContact CD1-SD 4.12Å; I534-V569 HydrophobicContact CD1-CB 4.33Å; I534-V569 HydrophobicContact CD1-CG1 3.65Å; I534-V569 HydrophobicContact CD1-CG2 3.68Å; I534-V569 HydrophobicContact CG1-CG1 3.83Å; I534-L571 HydrophobicContact CD1-CB 3.95Å; I534-L571 HydrophobicContact CD1-CD1 3.99Å; I534-L571 HydrophobicContact CD1-CG 4.38Å; I534-L571 HydrophobicContact CG1-CB 4.11Å; I534-L571 HydrophobicContact CG1-CD1 4.42Å; I534-L571 HydrophobicContact CG1-CD2 4.1Å; I534-L571 HydrophobicContact CG1-CG 4.45Å; I534-L571 HydrophobicContact CG2-CD1 4.32Å; I534-L571 HydrophobicContact CG2-CD2 4.02Å; I534-A580 HydrophobicContact CD1-CB 3.57Å; I534-W603 HydrophobicContact CG2-CH2 3.98Å; I534-W603 HydrophobicContact CG2-CZ2 3.88Å
535	G	97.2	Very high	96.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.			trans	56.9	-149.1	165.8	0	0	0	0	0	115.3	R519 H543 S545 R566	R519-G535 PolarHBondContact NH1-O 2.92Å; G535-H543 VanDerWaalsContact CA-O 3.29Å; G535-H543 WeakPolarHBondContact CA-O 3.26Å; G535-S545 PolarHBondContact N-O 2.83Å; G535-R566 CarbonylContact C-O 3.6Å; G535-R566 VanDerWaalsContact CA-O 3.29Å; G535-R566 WeakPolarHBondContact CA-O 3.39Å
536	G	95.9	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.			trans	101.7	-162	-173.7	0	0	0	0	0	114	S520 H543 R566	S520-G536 CarbonylContact O-C 3.43Å; S520-G536 WeakPolarHBondContact O-CA 2.98Å; G536-H543 PolarHBondContact O-N 3.01Å; G536-R566 PolarHBondContact N-O 2.74Å
537	F	95.6	Very high	96.6	Very high	39 Å²	39	37.9 Å²	37.9	17%	0.171	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-148.1	127.2	-171.2	-178.9	-122.4	0	0	0	110.5	R495 S520 G539 Y541 Y542	R495-F537 VanDerWaalsContact CD-O 3.3Å; R495-F537 WeakPolarHBondContact CD-O 3.4Å; R495-F537 PolarHBondContact NE-O 2.86Å; S520-F537 PolarHBondContact N-O 3.19Å; S520-F537 PolarHBondContact O-N 3.23Å; S520-F537 PolarHBondContact OG-O 2.78Å; F537-G539 VanDerWaalsContact C-N 3.35Å; F537-G539 VanDerWaalsContact CE1-CA 3.42Å; F537-Y541 WeakPolarHBondContact CA-O 3.43Å; F537-Y541 WeakPolarHBondContact CD2-O 3.27Å; F537-Y542 HydrophobicContact CD2-CD1 4.37Å; F537-Y542 HydrophobicContact CD2-CD2 4.01Å; F537-Y542 HydrophobicContact CD2-CE1 4.4Å; F537-Y542 HydrophobicContact CD2-CE2 4.02Å; F537-Y542 HydrophobicContact CD2-CG 4.17Å; F537-Y542 HydrophobicContact CE2-CD2 4.1Å; F537-Y542 AromaticContact CE2-CE2 3.8Å; F537-Y542 HydrophobicContact CE2-CE2 3.8Å
538	D	95.7	Very high	96.7	Very high	54 Å²	54	39.6 Å²	39.6	29%	0.289	18%	0.183	S	C	.	.			trans	-86.4	-3.1	178	72.8	-4	0	0	0	113.6	R495 R540 Y541	R495-D538 VanDerWaalsContact CD-O 3.3Å; R495-D538 WeakPolarHBondContact CD-O 3.2Å; D538-R540 WeakPolarHBondContact OD1-CA 3.42Å; D538-R540 PolarHBondContact OD1-N 3.08Å; D538-Y541 PolarHBondContact N-O 2.84Å; D538-Y541 PolarHBondContact OD1-N 2.8Å
539	G	92.9	Very high	96.9	Very high	31 Å²	31	35.1 Å²	35.1	32%	0.32	16%	0.162	S	C	.	.	S	Bend	trans	102.5	-6.7	-172.3	0	0	0	0	0	114.7	F537	F537-G539 VanDerWaalsContact C-N 3.35Å; F537-G539 VanDerWaalsContact CE1-CA 3.42Å
540	R	94.1	Very high	97	Very high	208 Å²	208	36.6 Å²	36.6	79%	0.785	16%	0.162	S	C	*	.	S	Bend	trans	-135.3	-40.5	177.9	-61.4	-179.4	-179.9	-176.5	1.1	112.3	D538	D538-R540 WeakPolarHBondContact OD1-CA 3.42Å; D538-R540 PolarHBondContact OD1-N 3.08Å
541	Y	95.6	Very high	97	Very high	160 Å²	160	35.3 Å²	35.3	63%	0.627	16%	0.159	S	C	*	.			trans	-126.2	141	-173.6	-57.4	-69.8	0	0	0	111.3	F537 D538	F537-Y541 WeakPolarHBondContact CA-O 3.43Å; F537-Y541 WeakPolarHBondContact CD2-O 3.27Å; D538-Y541 PolarHBondContact N-O 2.84Å; D538-Y541 PolarHBondContact OD1-N 2.8Å
542	Y	96.3	Very high	96.8	Very high	73 Å²	73	43.3 Å²	43.3	29%	0.286	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-83.5	140.4	170.4	-65.2	-105.6	0	0	0	108	F537 S567 N584 G586	F537-Y542 HydrophobicContact CD2-CD1 4.37Å; F537-Y542 HydrophobicContact CD2-CD2 4.01Å; F537-Y542 HydrophobicContact CD2-CE1 4.4Å; F537-Y542 HydrophobicContact CD2-CE2 4.02Å; F537-Y542 HydrophobicContact CD2-CG 4.17Å; F537-Y542 HydrophobicContact CE2-CD2 4.1Å; F537-Y542 AromaticContact CE2-CE2 3.8Å; F537-Y542 HydrophobicContact CE2-CE2 3.8Å; Y542-S567 WeakPolarHBondContact CD1-OG 3.47Å; Y542-S567 VanDerWaalsContact CE1-OG 3.26Å; Y542-S567 WeakPolarHBondContact CE1-OG 3.27Å; Y542-N584 VanDerWaalsContact CD1-O 3.3Å; Y542-N584 WeakPolarHBondContact CD1-O 3.25Å; Y542-N584 HydrophobicContact CE1-CB 4.47Å; Y542-G586 VanDerWaalsContact CZ-CA 3.44Å
543	H	96.6	Very high	96.7	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.06	22%	0.219	C	C	.	.			trans	-96.2	132.4	-174.7	-75.1	-98.3	0	0	0	112.6	Y517 G535 G536 S545 P565 R566	Y517-H543 AromaticContact CD1-CE1 3.82Å; G535-H543 VanDerWaalsContact CA-O 3.29Å; G535-H543 WeakPolarHBondContact CA-O 3.26Å; G536-H543 PolarHBondContact O-N 3.01Å; H543-S545 PolarHBondContact ND1-OG 3.01Å; H543-P565 CarbonylContact O-C 3.59Å; H543-P565 WeakPolarHBondContact O-CA 3.46Å; H543-R566 PolarHBondContact O-N 2.8Å
544	D	97.6	Very high	96.7	Very high	37 Å²	37	49.7 Å²	49.7	20%	0.198	24%	0.236	C	C	.	.			trans	-95.2	-10.3	158.6	62	-31.7	0	0	0	111.7	R561 M562 P565	D544-R561 VanDerWaalsContact CG-NE 3.29Å; D544-R561 WeakPolarHBondContact O-CA 3.42Å; D544-R561 IonicContact OD1-CZ 3.58Å; D544-R561 IonicContact OD1-NE 3.95Å; D544-R561 PolarHBondContact OD1-NE 2.99Å; D544-R561 IonicContact OD1-NH2 3.72Å; D544-R561 PolarHBondContact OD1-NH2 2.65Å; D544-R561 IonicContact OD2-CZ 3.63Å; D544-R561 IonicContact OD2-NE 2.7Å; D544-R561 PolarHBondContact OD2-NE 2.61Å; D544-R561 IonicContact OD2-NH2 3.3Å; D544-M562 PolarHBondContact O-N 2.85Å; D544-P565 HydrophobicContact CB-CG 4.24Å
545	S	98.1	Very high	96.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.007	26%	0.261	C	S	.	.			trans	-74.6	136	-174.4	53.2	0	0	0	0	113.8	R519 G535 H543	R519-S545 PolarHBondContact NH1-O 3Å; G535-S545 PolarHBondContact N-O 2.83Å; H543-S545 PolarHBondContact ND1-OG 3.01Å
546	V	98.4	Very high	96.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.3	-180	-175.9	0	0	0	0	109.4	Y532 V533 I534 V559 M562 W603	Y532-V546 HydrophobicContact CD1-CG1 4.28Å; V533-V546 WeakPolarHBondContact O-CA 3.48Å; I534-V546 HydrophobicContact CB-CG2 4.21Å; I534-V546 HydrophobicContact CG2-CB 4.37Å; I534-V546 HydrophobicContact CG2-CG1 3.73Å; I534-V546 HydrophobicContact CG2-CG2 3.82Å; V546-V559 HydrophobicContact CB-CG2 3.8Å; V546-V559 HydrophobicContact CG1-CG2 3.53Å; V546-V559 PolarHBondContact O-N 2.93Å; V546-M562 HydrophobicContact CG2-CG 3.99Å; V546-M562 HydrophobicContact CG2-SD 4.5Å; V546-W603 HydrophobicContact CG1-CZ2 4.22Å; V546-W603 HydrophobicContact CG2-CZ2 3.78Å
547	E	98.5	Very high	96.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.3	172.4	55.3	-164.7	128.1	0	0	110.2	N516 Y517 R519 Y532 V533 W556 T557 L558	N516-E547 VanDerWaalsContact CB-OE2 3.3Å; N516-E547 WeakPolarHBondContact CB-OE2 3.42Å; N516-E547 PolarHBondContact N-OE2 3.18Å; N516-E547 PolarHBondContact ND2-OE2 3.09Å; Y517-E547 PolarHBondContact N-OE1 2.74Å; R519-E547 IonicContact CZ-OE1 3.66Å; R519-E547 IonicContact NE-OE1 3.81Å; R519-E547 IonicContact NH2-OE1 2.75Å; R519-E547 PolarHBondContact NH2-OE1 2.96Å; Y532-E547 CarbonylContact C-O 3.6Å; Y532-E547 WeakPolarHBondContact CA-O 3.15Å; V533-E547 HydrophobicContact CG1-CG 3.62Å; V533-E547 PolarHBondContact N-O 3Å; V533-E547 PolarHBondContact O-N 2.91Å; E547-W556 HydrophobicContact CB-CE3 4.36Å; E547-W556 HydrophobicContact CG-CE3 3.79Å; E547-W556 HydrophobicContact CG-CZ3 4.25Å; E547-T557 CarbonylContact C-O 3.53Å; E547-T557 WeakPolarHBondContact CA-O 3.29Å; E547-T557 WeakPolarHBondContact CB-O 3.34Å; E547-L558 HydrophobicContact CB-CD2 3.99Å; E547-L558 HydrophobicContact CB-CG 4.42Å
548	Y	98.4	Very high	97	Very high	36 Å²	36	60.8 Å²	60.8	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.3	169.6	71.7	-107.1	0	0	0	111.7	K530 I531 Y532 E550 W556 T557 V559	K530-Y548 HydrophobicContact CB-CD2 4.1Å; K530-Y548 HydrophobicContact CB-CG 4.32Å; K530-Y548 HydrophobicContact CD-CD1 4.41Å; K530-Y548 HydrophobicContact CD-CD2 3.78Å; K530-Y548 HydrophobicContact CD-CE1 4.36Å; K530-Y548 HydrophobicContact CD-CE2 3.77Å; K530-Y548 HydrophobicContact CD-CG 4.15Å; K530-Y548 HydrophobicContact CG-CD2 4.19Å; K530-Y548 HydrophobicContact CG-CE2 4.46Å; K530-Y548 PolarHBondContact NZ-OH 2.82Å; I531-Y548 CarbonylContact O-C 3.35Å; I531-Y548 WeakPolarHBondContact O-CA 3.21Å; Y532-Y548 AromaticContact CE1-CD1 3.82Å; Y532-Y548 HydrophobicContact CE1-CD1 3.82Å; Y532-Y548 HydrophobicContact CE1-CG 4.25Å; Y532-Y548 AromaticContact CZ-CD1 3.93Å; Y548-E550 HydrophobicContact CD2-CB 4.43Å; Y548-E550 HydrophobicContact CE2-CB 4.17Å; Y548-W556 CarbonylContact O-C 3.51Å; Y548-W556 VanDerWaalsContact O-CA 3.31Å; Y548-W556 WeakPolarHBondContact O-CA 3.33Å; Y548-T557 HydrophobicContact CE1-CG2 3.94Å; Y548-T557 PolarHBondContact N-O 3.12Å; Y548-T557 PolarHBondContact O-N 2.85Å; Y548-V559 HydrophobicContact CD1-CG1 3.57Å; Y548-V559 HydrophobicContact CE1-CG1 3.66Å
549	Y	98.7	Very high	97.1	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.2	167.7	174.4	-102.3	0	0	0	110.5	Y483 I512 I531 P551 D554 Q555 W556	Y483-Y549 HydrophobicContact CD1-CD1 4.34Å; Y483-Y549 HydrophobicContact CD1-CE1 4.37Å; Y483-Y549 AromaticContact CE1-CD1 3.86Å; Y483-Y549 HydrophobicContact CE1-CD1 3.86Å; Y483-Y549 AromaticContact CE1-CE1 3.57Å; Y483-Y549 HydrophobicContact CE1-CE1 3.57Å; I512-Y549 HydrophobicContact CB-CE2 4.15Å; I512-Y549 HydrophobicContact CD1-CD1 4.2Å; I512-Y549 HydrophobicContact CD1-CD2 3.99Å; I512-Y549 HydrophobicContact CD1-CE1 3.99Å; I512-Y549 HydrophobicContact CD1-CE2 3.77Å; I512-Y549 HydrophobicContact CD1-CG 4.2Å; I512-Y549 HydrophobicContact CG1-CE2 4.46Å; I531-Y549 HydrophobicContact CG1-CD1 4.42Å; I531-Y549 PolarHBondContact N-O 2.96Å; I531-Y549 PolarHBondContact O-N 2.83Å; Y549-P551 HydrophobicContact CD1-CG 3.98Å; Y549-P551 VanDerWaalsContact CE1-CA 3.47Å; Y549-P551 HydrophobicContact CE1-CB 3.93Å; Y549-P551 HydrophobicContact CE1-CG 3.8Å; Y549-D554 HydrophobicContact CE2-CB 4.45Å; Y549-D554 WeakPolarHBondContact CE2-OD1 3.4Å; Y549-D554 PolarHBondContact OH-OD1 3.1Å; Y549-Q555 WeakPolarHBondContact CA-O 3.41Å; Y549-W556 HydrophobicContact CD2-CD2 4.26Å; Y549-W556 AromaticContact CD2-CE2 3.88Å; Y549-W556 HydrophobicContact CD2-CG 4.41Å; Y549-W556 HydrophobicContact CD2-CZ2 4.31Å; Y549-W556 AromaticContact CD2-NE1 3.74Å; Y549-W556 HydrophobicContact CG-CZ2 4.26Å
550	E	97.6	Very high	97.4	Very high	57 Å²	57	59.7 Å²	59.7	27%	0.266	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	106.4	176.5	-173	162.2	-77.4	0	0	111	K530 Y548 M552 T553 D554 Q555	K530-E550 WeakPolarHBondContact CE-OE1 3.09Å; K530-E550 IonicContact NZ-OE1 2.69Å; K530-E550 PolarHBondContact NZ-OE1 3.46Å; Y548-E550 HydrophobicContact CD2-CB 4.43Å; Y548-E550 HydrophobicContact CE2-CB 4.17Å; E550-M552 PolarHBondContact O-N 2.87Å; E550-T553 PolarHBondContact O-N 3.25Å; E550-T553 VanDerWaalsContact O-N 3.09Å; E550-T553 PolarHBondContact O-OG1 3.01Å; E550-D554 PolarHBondContact O-N 3.31Å; E550-D554 VanDerWaalsContact O-N 3.11Å; E550-Q555 PolarHBondContact N-O 2.61Å; E550-Q555 VanDerWaalsContact N-O 3.09Å
551	P	95.9	Very high	97.6	Very high	20 Å²	20	55.1 Å²	55.1	13%	0.13	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.9	-169.9	-26.1	34.3	0	0	0	116.9	Y483 G529 Y549	Y483-P551 WeakPolarHBondContact OH-CG 3.34Å; G529-P551 WeakPolarHBondContact O-CD 3.27Å; Y549-P551 HydrophobicContact CD1-CG 3.98Å; Y549-P551 VanDerWaalsContact CE1-CA 3.47Å; Y549-P551 HydrophobicContact CE1-CB 3.93Å; Y549-P551 HydrophobicContact CE1-CG 3.8Å
552	M	94.7	Very high	97.7	Very high	167 Å²	167	47.9 Å²	47.9	82%	0.823	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-21	179.7	-62.8	-62.7	152.8	0	0	113.3	E550	E550-M552 PolarHBondContact O-N 2.87Å
553	T	97.2	Very high	97.7	Very high	77 Å²	77	48.8 Å²	48.8	47%	0.472	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-14.6	-178.8	55.9	0	0	0	0	113.3	E550	E550-T553 PolarHBondContact O-N 3.25Å; E550-T553 VanDerWaalsContact O-N 3.09Å; E550-T553 PolarHBondContact O-OG1 3.01Å
554	D	97.5	Very high	97.6	Very high	67 Å²	67	49.8 Å²	49.8	36%	0.358	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	53.6	-171.2	-173.7	14.1	0	0	0	111.5	S513 Y549 E550	S513-D554 WeakPolarHBondContact CB-OD1 3.23Å; S513-D554 PolarHBondContact N-OD1 3.27Å; S513-D554 PolarHBondContact OG-O 3.39Å; S513-D554 VanDerWaalsContact OG-O 3.07Å; S513-D554 PolarHBondContact OG-OD1 3.33Å; Y549-D554 HydrophobicContact CE2-CB 4.45Å; Y549-D554 WeakPolarHBondContact CE2-OD1 3.4Å; Y549-D554 PolarHBondContact OH-OD1 3.1Å; E550-D554 PolarHBondContact O-N 3.31Å; E550-D554 VanDerWaalsContact O-N 3.11Å
555	Q	98.3	Very high	97.6	Very high	116 Å²	116	50.1 Å²	50.1	54%	0.542	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.8	-179.5	-66.5	-67.1	-78.2	0	0	112	Y549 E550	Y549-Q555 WeakPolarHBondContact CA-O 3.41Å; E550-Q555 PolarHBondContact N-O 2.61Å; E550-Q555 VanDerWaalsContact N-O 3.09Å
556	W	98.6	Very high	97.5	Very high	20 Å²	20	50.1 Å²	50.1	8%	0.076	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.9	172.5	-69.9	90.4	0	0	0	111.8	I485 A499 I512 S513 S514 M515 N516 V533 E547 Y548 Y549	I485-W556 HydrophobicContact CD1-CH2 3.95Å; I485-W556 HydrophobicContact CG1-CH2 4.04Å; I485-W556 HydrophobicContact CG1-CZ2 4.38Å; I485-W556 HydrophobicContact CG2-CH2 3.86Å; I485-W556 HydrophobicContact CG2-CZ2 4.33Å; A499-W556 HydrophobicContact CB-CZ2 3.88Å; I512-W556 HydrophobicContact CD1-CZ2 4.37Å; S513-W556 PolarHBondContact O-NE1 3.16Å; S514-W556 VanDerWaalsContact C-CD1 3.47Å; M515-W556 HydrophobicContact CG-CD2 3.89Å; M515-W556 HydrophobicContact CG-CE3 4.08Å; M515-W556 HydrophobicContact CG-CH2 3.94Å; M515-W556 HydrophobicContact CG-CZ2 3.74Å; M515-W556 HydrophobicContact CG-CZ3 4.12Å; M515-W556 HydrophobicContact SD-CH2 4.43Å; N516-W556 PolarHBondContact ND2-O 3.4Å; V533-W556 HydrophobicContact CB-CZ3 4.38Å; V533-W556 HydrophobicContact CG1-CE3 4.4Å; V533-W556 HydrophobicContact CG1-CH2 4.18Å; V533-W556 HydrophobicContact CG1-CZ3 3.6Å; E547-W556 HydrophobicContact CB-CE3 4.36Å; E547-W556 HydrophobicContact CG-CE3 3.79Å; E547-W556 HydrophobicContact CG-CZ3 4.25Å; Y548-W556 CarbonylContact O-C 3.51Å; Y548-W556 VanDerWaalsContact O-CA 3.31Å; Y548-W556 WeakPolarHBondContact O-CA 3.33Å; Y549-W556 HydrophobicContact CD2-CD2 4.26Å; Y549-W556 AromaticContact CD2-CE2 3.88Å; Y549-W556 HydrophobicContact CD2-CG 4.41Å; Y549-W556 HydrophobicContact CD2-CZ2 4.31Å; Y549-W556 AromaticContact CD2-NE1 3.74Å; Y549-W556 HydrophobicContact CG-CZ2 4.26Å
557	T	98.5	Very high	97.3	Very high	57 Å²	57	50.6 Å²	50.6	35%	0.35	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.6	-179.9	-57.8	0	0	0	0	110.9	E547 Y548	E547-T557 CarbonylContact C-O 3.53Å; E547-T557 WeakPolarHBondContact CA-O 3.29Å; E547-T557 WeakPolarHBondContact CB-O 3.34Å; Y548-T557 HydrophobicContact CE1-CG2 3.94Å; Y548-T557 PolarHBondContact N-O 3.12Å; Y548-T557 PolarHBondContact O-N 2.85Å
558	L	98.4	Very high	96.8	Very high	79 Å²	79	51.6 Å²	51.6	41%	0.414	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136.9	172.4	-75.5	162.3	0	0	0	111.4	N516 Y517 E547	N516-L558 HydrophobicContact CB-CD1 4.06Å; N516-L558 HydrophobicContact CB-CD2 4.44Å; N516-L558 HydrophobicContact CB-CG 4.23Å; Y517-L558 HydrophobicContact CD2-CD2 3.98Å; Y517-L558 HydrophobicContact CE2-CD1 4.11Å; Y517-L558 HydrophobicContact CE2-CD2 3.65Å; E547-L558 HydrophobicContact CB-CD2 3.99Å; E547-L558 HydrophobicContact CB-CG 4.42Å
559	V	98.1	Very high	96.5	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.127	27%	0.272	C	S	.	.			trans	-121.9	-172.2	176.1	-62.9	0	0	0	0	110.6	Y532 V546 Y548 Y596	Y532-V559 HydrophobicContact CE1-CG2 4.35Å; V546-V559 HydrophobicContact CB-CG2 3.8Å; V546-V559 HydrophobicContact CG1-CG2 3.53Å; V546-V559 PolarHBondContact O-N 2.93Å; Y548-V559 HydrophobicContact CD1-CG1 3.57Å; Y548-V559 HydrophobicContact CE1-CG1 3.66Å; V559-Y596 HydrophobicContact CG2-CE2 4.39Å
560	S	97.8	Very high	96.2	Very high	42 Å²	42	52.2 Å²	52.2	29%	0.294	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-57.9	142.5	-179.8	-167.2	0	0	0	0	112.5	N601 W603	S560-N601 WeakPolarHBondContact CB-O 3.31Å; S560-N601 WeakPolarHBondContact CB-OD1 3.3Å; S560-N601 PolarHBondContact N-OD1 3.09Å; S560-N601 PolarHBondContact OG-O 2.79Å; S560-W603 VanDerWaalsContact O-CD1 3.27Å; S560-W603 PolarHBondContact O-NE1 2.95Å
561	R	98.3	Very high	96	Very high	111 Å²	111	50.3 Å²	50.3	42%	0.419	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-82.5	150.6	-177.3	-52.7	177.5	81.8	97.8	-0.8	109.8	D544 W603	D544-R561 VanDerWaalsContact CG-NE 3.29Å; D544-R561 WeakPolarHBondContact O-CA 3.42Å; D544-R561 IonicContact OD1-CZ 3.58Å; D544-R561 IonicContact OD1-NE 3.95Å; D544-R561 PolarHBondContact OD1-NE 2.99Å; D544-R561 IonicContact OD1-NH2 3.72Å; D544-R561 PolarHBondContact OD1-NH2 2.65Å; D544-R561 IonicContact OD2-CZ 3.63Å; D544-R561 IonicContact OD2-NE 2.7Å; D544-R561 PolarHBondContact OD2-NE 2.61Å; D544-R561 IonicContact OD2-NH2 3.3Å; R561-W603 VanDerWaalsContact C-CD1 3.48Å; R561-W603 VanDerWaalsContact O-CD1 3.22Å
562	M	97.9	Very high	95.8	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.039	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.7	155.9	171.9	-64.1	178.8	-63.8	0	0	110.7	I534 D544 V546 S564 R566 A580 W603	I534-M562 HydrophobicContact CB-CE 4.32Å; I534-M562 HydrophobicContact CB-SD 4.21Å; I534-M562 HydrophobicContact CD1-SD 4.12Å; D544-M562 PolarHBondContact O-N 2.85Å; V546-M562 HydrophobicContact CG2-CG 3.99Å; V546-M562 HydrophobicContact CG2-SD 4.5Å; M562-S564 PolarHBondContact O-N 3.44Å; M562-R566 HydrophobicContact CE-CB 4.18Å; M562-R566 HydrophobicContact CE-CG 3.97Å; M562-R566 HydrophobicContact SD-CG 4.27Å; M562-A580 HydrophobicContact SD-CB 3.8Å; M562-W603 HydrophobicContact CG-CD2 3.83Å; M562-W603 HydrophobicContact CG-CE3 4.25Å; M562-W603 HydrophobicContact CG-CG 4.22Å; M562-W603 HydrophobicContact CG-CH2 4.45Å; M562-W603 HydrophobicContact CG-CZ2 4.06Å
563	N	96.8	Very high	95.7	Very high	92 Å²	92	49.2 Å²	49.2	49%	0.492	27%	0.269	S	S	.	.	S	Bend	trans	-69.9	-9	177.3	-64.6	-92.1	0	0	0	112.7	E594 W603 I605	N563-E594 VanDerWaalsContact CB-OE2 3.31Å; N563-E594 WeakPolarHBondContact CB-OE2 3.42Å; N563-E594 PolarHBondContact N-OE2 2.86Å; N563-E594 PolarHBondContact ND2-OE2 3.07Å; N563-W603 PolarHBondContact ND2-O 3.45Å; N563-I605 HydrophobicContact CB-CD1 4.16Å; N563-I605 HydrophobicContact CB-CG1 4.32Å
564	S	94	Very high	95.4	Very high	34 Å²	34	50.3 Å²	50.3	24%	0.238	27%	0.268	C	S	.	.	S	Bend	trans	-150.3	147.2	172.4	-74.7	0	0	0	0	111.3	M562 R566	M562-S564 PolarHBondContact O-N 3.44Å; S564-R566 WeakPolarHBondContact O-CG 3.3Å
565	P	97	Very high	95.1	Very high	45 Å²	45	52.3 Å²	52.3	29%	0.292	28%	0.279	S	S	.	.			trans	-61.5	141.9	167.5	-23.8	34.8	0	0	0	112.4	H543 D544 N585	H543-P565 CarbonylContact O-C 3.59Å; H543-P565 WeakPolarHBondContact O-CA 3.46Å; D544-P565 HydrophobicContact CB-CG 4.24Å; P565-N585 VanDerWaalsContact O-CA 3.26Å; P565-N585 WeakPolarHBondContact O-CA 3.49Å; P565-N585 WeakPolarHBondContact O-CB 3.33Å
566	R	95.9	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.272	C	S	.	.			trans	-144	114	-178.6	-43.2	-174.3	168.6	-113.5	-1.5	111.3	G535 G536 H543 M562 S564 V569 G582 N584 L590 S592 E594	G535-R566 CarbonylContact C-O 3.6Å; G535-R566 VanDerWaalsContact CA-O 3.29Å; G535-R566 WeakPolarHBondContact CA-O 3.39Å; G536-R566 PolarHBondContact N-O 2.74Å; H543-R566 PolarHBondContact O-N 2.8Å; M562-R566 HydrophobicContact CE-CB 4.18Å; M562-R566 HydrophobicContact CE-CG 3.97Å; M562-R566 HydrophobicContact SD-CG 4.27Å; S564-R566 WeakPolarHBondContact O-CG 3.3Å; R566-V569 HydrophobicContact CB-CB 3.82Å; R566-V569 HydrophobicContact CB-CG1 4.33Å; R566-V569 HydrophobicContact CB-CG2 3.98Å; R566-V569 HydrophobicContact CG-CG2 4.46Å; R566-G582 PolarHBondContact NH1-O 2.78Å; R566-N584 CarbonylContact C-O 3.54Å; R566-N584 WeakPolarHBondContact CA-O 3.11Å; R566-L590 HydrophobicContact CG-CD1 3.77Å; R566-S592 PolarHBondContact NH1-O 2.92Å; R566-S592 PolarHBondContact NH2-O 2.82Å; R566-S592 PolarHBondContact NH2-OG 2.9Å; R566-E594 IonicContact CZ-OE1 3.44Å; R566-E594 IonicContact NE-OE1 3.18Å; R566-E594 PolarHBondContact NE-OE1 2.79Å; R566-E594 VanDerWaalsContact NE-OE1 3.15Å; R566-E594 IonicContact NH2-OE1 2.76Å; R566-E594 PolarHBondContact NH2-OE1 3.07Å
567	S	94.2	Very high	94.9	Very high	12 Å²	12	51.9 Å²	51.9	8%	0.084	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-102.1	157.2	156.6	83.9	0	0	0	0	110.3	Y542 V569 G583 N584	Y542-S567 WeakPolarHBondContact CD1-OG 3.47Å; Y542-S567 VanDerWaalsContact CE1-OG 3.26Å; Y542-S567 WeakPolarHBondContact CE1-OG 3.27Å; S567-V569 PolarHBondContact O-N 3.01Å; S567-G583 CarbonylContact O-C 3.59Å; S567-G583 WeakPolarHBondContact O-CA 3.3Å; S567-N584 PolarHBondContact N-O 3.05Å; S567-N584 PolarHBondContact O-N 3.47Å
568	G	89.8	Confident	94.7	Very high	21 Å²	21	49.2 Å²	49.2	22%	0.216	26%	0.262	C	S	.	.	S	Bend	trans	62.2	34.1	-177.2	0	0	0	0	0	112.5	D521 G583 W614	D521-G568 PolarHBondContact O-N 3.4Å; G568-G583 VanDerWaalsContact O-CA 3.32Å; G568-G583 WeakPolarHBondContact O-CA 3.39Å; G568-W614 PolarHBondContact O-NE1 3.42Å; G568-W614 VanDerWaalsContact O-NE1 3.14Å
569	V	91.1	Very high	94.6	Very high	12 Å²	12	47.5 Å²	47.5	7%	0.073	25%	0.25	C	S	.	.			trans	-87.7	151	-177.1	64.3	0	0	0	0	110.6	S523 I534 R566 S567 A580	S523-V569 VanDerWaalsContact CB-O 3.29Å; S523-V569 WeakPolarHBondContact CB-O 3.39Å; I534-V569 HydrophobicContact CD1-CB 4.33Å; I534-V569 HydrophobicContact CD1-CG1 3.65Å; I534-V569 HydrophobicContact CD1-CG2 3.68Å; I534-V569 HydrophobicContact CG1-CG1 3.83Å; R566-V569 HydrophobicContact CB-CB 3.82Å; R566-V569 HydrophobicContact CB-CG1 4.33Å; R566-V569 HydrophobicContact CB-CG2 3.98Å; R566-V569 HydrophobicContact CG-CG2 4.46Å; S567-V569 PolarHBondContact O-N 3.01Å; V569-A580 HydrophobicContact CG2-CB 4.3Å
570	S	91.6	Very high	94.4	Very high	38 Å²	38	46.5 Å²	46.5	27%	0.266	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.1	169	-176.2	0	0	0	0	109.6	I581 G621	S570-I581 PolarHBondContact N-O 3.48Å; S570-I581 PolarHBondContact O-N 3.04Å; S570-G621 PolarHBondContact OG-O 3.41Å
571	L	93.5	Very high	94.2	Very high	17 Å²	17	45 Å²	45	9%	0.089	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.9	173.3	-178.2	59.8	0	0	0	109.4	S523 I534 L578 Y579	S523-L571 WeakPolarHBondContact OG-CB 3.36Å; S523-L571 PolarHBondContact OG-N 3.03Å; S523-L571 VanDerWaalsContact OG-N 3.15Å; I534-L571 HydrophobicContact CD1-CB 3.95Å; I534-L571 HydrophobicContact CD1-CD1 3.99Å; I534-L571 HydrophobicContact CD1-CG 4.38Å; I534-L571 HydrophobicContact CG1-CB 4.11Å; I534-L571 HydrophobicContact CG1-CD1 4.42Å; I534-L571 HydrophobicContact CG1-CD2 4.1Å; I534-L571 HydrophobicContact CG1-CG 4.45Å; I534-L571 HydrophobicContact CG2-CD1 4.32Å; I534-L571 HydrophobicContact CG2-CD2 4.02Å; L571-L578 HydrophobicContact CD1-CB 3.89Å; L571-L578 HydrophobicContact CD1-CD2 3.93Å; L571-L578 HydrophobicContact CD1-CG 4.33Å; L571-L578 HydrophobicContact CD2-CD2 4.32Å; L571-L578 HydrophobicContact CG-CD2 4.12Å; L571-Y579 WeakPolarHBondContact CA-O 3.27Å; L571-Y579 WeakPolarHBondContact CD1-O 3.26Å
572	I	92.4	Very high	93.8	Very high	88 Å²	88	39.8 Å²	39.8	45%	0.451	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.1	174.2	-171.5	167.7	0	0	0	110.7	L578 Y579 I581	I572-L578 WeakPolarHBondContact O-CA 3.17Å; I572-Y579 PolarHBondContact N-O 3.4Å; I572-Y579 VanDerWaalsContact N-O 3.13Å; I572-Y579 PolarHBondContact O-N 2.83Å; I572-I581 HydrophobicContact CG2-CD1 3.78Å
573	Q	93.1	Very high	93.4	Very high	77 Å²	77	39.5 Å²	39.5	36%	0.36	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.4	170.5	-169.6	-83.2	-2.1	0	0	109.4	E526 L527 Y577 L578	E526-Q573 WeakPolarHBondContact O-CG 3.44Å; L527-Q573 HydrophobicContact CB-CG 4.47Å; L527-Q573 HydrophobicContact CD1-CG 3.87Å; Q573-Y577 WeakPolarHBondContact CA-O 3.46Å; Q573-L578 HydrophobicContact CB-CD2 3.96Å; Q573-L578 HydrophobicContact CG-CD2 4.37Å
574	H	90.4	Very high	93.1	Very high	99 Å²	99	36.8 Å²	36.8	46%	0.458	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	132.6	170.8	-173.6	61.8	0	0	0	110.5	D576 Y577 Y579	H574-D576 PolarHBondContact O-N 2.89Å; H574-Y577 PolarHBondContact N-O 2.9Å; H574-Y577 PolarHBondContact O-N 2.78Å; H574-Y579 HydrophobicContact CB-CD2 4.18Å; H574-Y579 HydrophobicContact CB-CE2 3.75Å
575	N	91.4	Very high	93.1	Very high	110 Å²	110	37.3 Å²	37.3	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	46	50.1	173.9	-59.3	-9.9	0	0	0	114.8	Y577	N575-Y577 VanDerWaalsContact C-N 3.28Å; N575-Y577 WeakPolarHBondContact O-CD2 3.48Å; N575-Y577 VanDerWaalsContact O-CE2 3.25Å; N575-Y577 WeakPolarHBondContact O-CE2 3.13Å; N575-Y577 PolarHBondContact O-N 3.47Å
576	D	94.9	Very high	92.8	Very high	71 Å²	71	37.1 Å²	37.1	38%	0.38	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	4.5	-176.8	-65.5	-31.3	0	0	0	117.2	H528 H574 P598	H528-D576 IonicContact CD2-OD1 3.62Å; H528-D576 IonicContact CE1-OD1 3.37Å; H528-D576 IonicContact NE2-OD1 3.61Å; H528-D576 PolarHBondContact NE2-OD1 3.18Å; H574-D576 PolarHBondContact O-N 2.89Å; D576-P598 WeakPolarHBondContact O-CD 3.25Å; D576-P598 WeakPolarHBondContact O-CG 3.4Å
577	Y	96.8	Very high	92.5	Very high	56 Å²	56	45 Å²	45	22%	0.22	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	158.6	173.4	-52.7	-92.2	0	0	0	111.6	Q573 H574 N575 R595 Y596 D597	Q573-Y577 WeakPolarHBondContact CA-O 3.46Å; H574-Y577 PolarHBondContact N-O 2.9Å; H574-Y577 PolarHBondContact O-N 2.78Å; N575-Y577 VanDerWaalsContact C-N 3.28Å; N575-Y577 WeakPolarHBondContact O-CD2 3.48Å; N575-Y577 VanDerWaalsContact O-CE2 3.25Å; N575-Y577 WeakPolarHBondContact O-CE2 3.13Å; N575-Y577 PolarHBondContact O-N 3.47Å; Y577-R595 HydrophobicContact CD1-CG 3.89Å; Y577-R595 VanDerWaalsContact CE1-NH1 3.33Å; Y577-R595 HydrophobicContact CG-CG 3.93Å; Y577-R595 VanDerWaalsContact CZ-NH1 3.34Å; Y577-Y596 WeakPolarHBondContact CB-O 3.48Å; Y577-Y596 WeakPolarHBondContact CD1-O 3.39Å; Y577-D597 HydrophobicContact CD1-CB 4.11Å; Y577-D597 HydrophobicContact CE1-CB 4.01Å
578	L	96.1	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.5	166.3	-76.4	170.4	0	0	0	110.1	L527 Y532 L571 I572 Q573 R595 Y596	L527-L578 HydrophobicContact CB-CD1 4.19Å; L527-L578 HydrophobicContact CB-CD2 4.36Å; L527-L578 HydrophobicContact CB-CG 4.16Å; L527-L578 HydrophobicContact CD2-CD1 4.14Å; L527-L578 HydrophobicContact CD2-CG 3.93Å; Y532-L578 HydrophobicContact CD1-CD1 3.84Å; Y532-L578 HydrophobicContact CD2-CD1 3.65Å; Y532-L578 HydrophobicContact CE1-CD1 4.41Å; Y532-L578 HydrophobicContact CE2-CD1 4.25Å; Y532-L578 HydrophobicContact CG-CD1 3.42Å; Y532-L578 VanDerWaalsContact CG-CD1 3.42Å; L571-L578 HydrophobicContact CD1-CB 3.89Å; L571-L578 HydrophobicContact CD1-CD2 3.93Å; L571-L578 HydrophobicContact CD1-CG 4.33Å; L571-L578 HydrophobicContact CD2-CD2 4.32Å; L571-L578 HydrophobicContact CG-CD2 4.12Å; I572-L578 WeakPolarHBondContact O-CA 3.17Å; Q573-L578 HydrophobicContact CB-CD2 3.96Å; Q573-L578 HydrophobicContact CG-CD2 4.37Å; L578-R595 CarbonylContact O-C 3.59Å; L578-R595 WeakPolarHBondContact O-CA 3.43Å; L578-Y596 HydrophobicContact CD1-CD1 4.47Å; L578-Y596 PolarHBondContact N-O 2.97Å; L578-Y596 PolarHBondContact O-N 2.81Å
579	Y	96	Very high	92.3	Very high	43 Å²	43	52.4 Å²	52.4	17%	0.169	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.1	-176.8	-65.9	-111.1	0	0	0	110.1	L571 I572 H574 I593 E594 R595 I606	L571-Y579 WeakPolarHBondContact CA-O 3.27Å; L571-Y579 WeakPolarHBondContact CD1-O 3.26Å; I572-Y579 PolarHBondContact N-O 3.4Å; I572-Y579 VanDerWaalsContact N-O 3.13Å; I572-Y579 PolarHBondContact O-N 2.83Å; H574-Y579 HydrophobicContact CB-CD2 4.18Å; H574-Y579 HydrophobicContact CB-CE2 3.75Å; Y579-I593 HydrophobicContact CD1-CG2 4.24Å; Y579-E594 CarbonylContact C-O 3.55Å; Y579-E594 WeakPolarHBondContact CA-O 3.46Å; Y579-R595 HydrophobicContact CD1-CB 4.42Å; Y579-R595 HydrophobicContact CE1-CB 4.4Å; Y579-R595 HydrophobicContact CE1-CG 4.19Å; Y579-R595 HydrophobicContact CE2-CG 4.45Å; Y579-I606 HydrophobicContact CD1-CD1 3.65Å; Y579-I606 HydrophobicContact CE1-CD1 3.42Å; Y579-I606 VanDerWaalsContact CE1-CD1 3.42Å
580	A	94	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.2	174.5	0	0	0	0	0	109.8	I534 M562 V569 I593 E594 W603	I534-A580 HydrophobicContact CD1-CB 3.57Å; M562-A580 HydrophobicContact SD-CB 3.8Å; V569-A580 HydrophobicContact CG2-CB 4.3Å; A580-I593 WeakPolarHBondContact O-CA 3.42Å; A580-E594 HydrophobicContact CB-CB 4.4Å; A580-E594 PolarHBondContact N-O 2.83Å; A580-E594 PolarHBondContact O-N 3.37Å; A580-W603 HydrophobicContact CB-CE3 4.4Å; A580-W603 HydrophobicContact CB-CH2 3.94Å; A580-W603 HydrophobicContact CB-CZ3 3.56Å
581	I	92.8	Very high	92.1	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122	-171.2	-62.3	166.6	0	0	0	109.6	S570 I572 I593 M609	S570-I581 PolarHBondContact N-O 3.48Å; S570-I581 PolarHBondContact O-N 3.04Å; I572-I581 HydrophobicContact CG2-CD1 3.78Å; I581-I593 HydrophobicContact CG1-CG1 4.27Å; I581-I593 HydrophobicContact CG1-CG2 3.96Å; I581-I593 HydrophobicContact CG2-CG1 4.43Å; I581-M609 HydrophobicContact CG2-CE 4.19Å; I581-M609 HydrophobicContact CG2-CG 4.21Å; I581-M609 HydrophobicContact CG2-SD 3.5Å; I581-M609 VanDerWaalsContact CG2-SD 3.5Å
582	G	89.9	Confident	92	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.021	27%	0.268	C	S	.	.			trans	65.8	-141.5	171	0	0	0	0	0	115.1	R566 S592	R566-G582 PolarHBondContact NH1-O 2.78Å; G582-S592 PolarHBondContact N-O 3.14Å
583	G	90	Very high	92.1	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.021	25%	0.253	C	S	.	.			trans	90.4	-164.7	-172.6	0	0	0	0	0	114.4	S567 G568 R589 L590	S567-G583 CarbonylContact O-C 3.59Å; S567-G583 WeakPolarHBondContact O-CA 3.3Å; G568-G583 VanDerWaalsContact O-CA 3.32Å; G568-G583 WeakPolarHBondContact O-CA 3.39Å; G583-R589 CarbonylContact O-C 3.58Å; G583-L590 PolarHBondContact O-N 2.96Å
584	N	90.2	Very high	92.2	Very high	36 Å²	36	47.6 Å²	47.6	19%	0.193	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-133.7	131.6	-174.8	178.1	13.2	0	0	0	109.9	Y542 R566 S567 G586 D588	Y542-N584 VanDerWaalsContact CD1-O 3.3Å; Y542-N584 WeakPolarHBondContact CD1-O 3.25Å; Y542-N584 HydrophobicContact CE1-CB 4.47Å; R566-N584 CarbonylContact C-O 3.54Å; R566-N584 WeakPolarHBondContact CA-O 3.11Å; S567-N584 PolarHBondContact N-O 3.05Å; S567-N584 PolarHBondContact O-N 3.47Å; N584-G586 PolarHBondContact OD1-N 3.29Å; N584-D588 PolarHBondContact OD1-O 2.73Å
585	N	93.3	Very high	92.5	Very high	44 Å²	44	45.8 Å²	45.8	24%	0.235	23%	0.225	C	C	.	.			trans	-93.9	3.5	177.8	71.1	9.8	0	0	0	113.9	P565 K587 D588 L590	P565-N585 VanDerWaalsContact O-CA 3.26Å; P565-N585 WeakPolarHBondContact O-CA 3.49Å; P565-N585 WeakPolarHBondContact O-CB 3.33Å; N585-K587 WeakPolarHBondContact OD1-CA 3.43Å; N585-K587 PolarHBondContact OD1-N 2.83Å; N585-D588 PolarHBondContact N-O 2.86Å; N585-D588 PolarHBondContact OD1-N 2.73Å; N585-D588 PolarHBondContact OD1-O 2.85Å; N585-L590 HydrophobicContact CB-CD1 4.46Å; N585-L590 HydrophobicContact CB-CD2 4.34Å
586	G	90.3	Very high	92.8	Very high	42 Å²	42	40.7 Å²	40.7	43%	0.433	20%	0.197	S	C	.	.	S	Bend	trans	94.9	-9.7	-175.5	0	0	0	0	0	114.8	Y542 N584	Y542-G586 VanDerWaalsContact CZ-CA 3.44Å; N584-G586 PolarHBondContact OD1-N 3.29Å
587	K	91.4	Very high	93	Very high	164 Å²	164	38.8 Å²	38.8	71%	0.713	19%	0.187	S	C	*	.	S	Bend	trans	-124.1	-47.2	175	178.7	-174.6	161.5	-68.1	0	111.8	N585	N585-K587 WeakPolarHBondContact OD1-CA 3.43Å; N585-K587 PolarHBondContact OD1-N 2.83Å
588	D	90.4	Very high	92.9	Very high	72 Å²	72	37.6 Å²	37.6	39%	0.385	19%	0.186	S	C	.	.	S	Bend	trans	-126.8	143.2	-173.3	-49.5	-68.2	0	0	0	110.8	N584 N585	N584-D588 PolarHBondContact OD1-O 2.73Å; N585-D588 PolarHBondContact N-O 2.86Å; N585-D588 PolarHBondContact OD1-N 2.73Å; N585-D588 PolarHBondContact OD1-O 2.85Å
589	R	88	Confident	92.9	Very high	117 Å²	117	44.9 Å²	44.9	44%	0.442	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-84.6	113.5	172.8	-72.4	162.9	159.9	-150.9	-2.1	108.4	G583 S612 W614 S615	G583-R589 CarbonylContact O-C 3.58Å; R589-S612 VanDerWaalsContact O-CB 3.27Å; R589-S612 WeakPolarHBondContact O-CB 3.11Å; R589-W614 HydrophobicContact CB-CB 4.37Å; R589-W614 WeakPolarHBondContact CD-O 3.5Å; R589-W614 HydrophobicContact CG-CB 3.95Å; R589-W614 PolarHBondContact NH1-O 2.75Å; R589-S615 PolarHBondContact NH1-O 2.88Å
590	L	88.5	Confident	93	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.089	24%	0.235	C	C	.	.			trans	-73.1	144.5	-165.7	-60	178.6	0	0	0	112.5	R566 G583 N585 G613	R566-L590 HydrophobicContact CG-CD1 3.77Å; G583-L590 PolarHBondContact O-N 2.96Å; N585-L590 HydrophobicContact CB-CD1 4.46Å; N585-L590 HydrophobicContact CB-CD2 4.34Å; L590-G613 PolarHBondContact O-N 3.18Å
591	K	90.4	Very high	93.1	Very high	78 Å²	78	51.7 Å²	51.7	34%	0.339	25%	0.253	S	S	.	.			trans	-100.2	-29.1	165.1	-68.8	-177	171.1	-153.5	0	112.7	E608 M609 S610	K591-E608 HydrophobicContact CB-CB 4.01Å; K591-E608 HydrophobicContact CB-CG 4.39Å; K591-E608 WeakPolarHBondContact O-CA 3.44Å; K591-M609 WeakPolarHBondContact CD-O 3.42Å; K591-M609 PolarHBondContact O-N 3.33Å; K591-S610 PolarHBondContact NZ-O 3.38Å
592	S	91.1	Very high	93.4	Very high	13 Å²	13	56.6 Å²	56.6	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	143.5	-169.9	55.8	0	0	0	0	113.1	R566 G582 G607	R566-S592 PolarHBondContact NH1-O 2.92Å; R566-S592 PolarHBondContact NH2-O 2.82Å; R566-S592 PolarHBondContact NH2-OG 2.9Å; G582-S592 PolarHBondContact N-O 3.14Å; S592-G607 WeakPolarHBondContact CA-O 3.45Å
593	I	94.1	Very high	93.7	Very high	24 Å²	24	57.2 Å²	57.2	12%	0.123	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.3	174.4	-57.2	174.8	0	0	0	106.9	Y579 A580 I581 I606 G607 M609	Y579-I593 HydrophobicContact CD1-CG2 4.24Å; A580-I593 WeakPolarHBondContact O-CA 3.42Å; I581-I593 HydrophobicContact CG1-CG1 4.27Å; I581-I593 HydrophobicContact CG1-CG2 3.96Å; I581-I593 HydrophobicContact CG2-CG1 4.43Å; I593-I606 HydrophobicContact CB-CG1 4.23Å; I593-I606 HydrophobicContact CG2-CD1 3.93Å; I593-I606 HydrophobicContact CG2-CG1 3.89Å; I593-I606 PolarHBondContact O-N 3.13Å; I593-G607 PolarHBondContact N-O 3.41Å; I593-M609 HydrophobicContact CD1-CG 4.21Å; I593-M609 HydrophobicContact CG1-CG 4.32Å
594	E	95.9	Very high	94.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.4	174.4	-72	179.6	-114.3	0	0	110.7	N563 R566 Y579 A580 W603 E604 I605	N563-E594 VanDerWaalsContact CB-OE2 3.31Å; N563-E594 WeakPolarHBondContact CB-OE2 3.42Å; N563-E594 PolarHBondContact N-OE2 2.86Å; N563-E594 PolarHBondContact ND2-OE2 3.07Å; R566-E594 IonicContact CZ-OE1 3.44Å; R566-E594 IonicContact NE-OE1 3.18Å; R566-E594 PolarHBondContact NE-OE1 2.79Å; R566-E594 VanDerWaalsContact NE-OE1 3.15Å; R566-E594 IonicContact NH2-OE1 2.76Å; R566-E594 PolarHBondContact NH2-OE1 3.07Å; Y579-E594 CarbonylContact C-O 3.55Å; Y579-E594 WeakPolarHBondContact CA-O 3.46Å; A580-E594 HydrophobicContact CB-CB 4.4Å; A580-E594 PolarHBondContact N-O 2.83Å; A580-E594 PolarHBondContact O-N 3.37Å; E594-W603 HydrophobicContact CB-CE3 3.78Å; E594-W603 HydrophobicContact CB-CZ3 4.35Å; E594-E604 CarbonylContact C-O 3.45Å; E594-E604 VanDerWaalsContact CA-O 3.26Å; E594-E604 WeakPolarHBondContact CA-O 3.26Å; E594-I605 HydrophobicContact CG-CG1 3.75Å
595	R	97.2	Very high	94.3	Very high	60 Å²	60	64.9 Å²	64.9	23%	0.226	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.1	177.8	-178.5	-177.5	64.1	143.6	-4.7	110	Y577 L578 Y579 W603 E604 I606	Y577-R595 HydrophobicContact CD1-CG 3.89Å; Y577-R595 VanDerWaalsContact CE1-NH1 3.33Å; Y577-R595 HydrophobicContact CG-CG 3.93Å; Y577-R595 VanDerWaalsContact CZ-NH1 3.34Å; L578-R595 CarbonylContact O-C 3.59Å; L578-R595 WeakPolarHBondContact O-CA 3.43Å; Y579-R595 HydrophobicContact CD1-CB 4.42Å; Y579-R595 HydrophobicContact CE1-CB 4.4Å; Y579-R595 HydrophobicContact CE1-CG 4.19Å; Y579-R595 HydrophobicContact CE2-CG 4.45Å; R595-W603 CarbonylContact O-C 3.6Å; R595-W603 WeakPolarHBondContact O-CA 3.39Å; R595-E604 IonicContact CZ-OE2 2.68Å; R595-E604 PolarHBondContact N-O 2.82Å; R595-E604 IonicContact NE-OE2 2.74Å; R595-E604 IonicContact NH2-OE2 3.36Å; R595-E604 PolarHBondContact NH2-OE2 2.92Å; R595-E604 PolarHBondContact O-N 3.22Å; R595-I606 HydrophobicContact CB-CD1 4.19Å; R595-I606 HydrophobicContact CB-CG1 4.3Å; R595-I606 HydrophobicContact CB-CG2 3.68Å
596	Y	98.4	Very high	94.4	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.6	172	178.4	-108.7	0	0	0	111	Y532 V559 Y577 L578 P598 N601 K602 W603	Y532-Y596 HydrophobicContact CE1-CD1 4.46Å; Y532-Y596 AromaticContact CE1-CE1 3.75Å; Y532-Y596 HydrophobicContact CE1-CE1 3.75Å; V559-Y596 HydrophobicContact CG2-CE2 4.39Å; Y577-Y596 WeakPolarHBondContact CB-O 3.48Å; Y577-Y596 WeakPolarHBondContact CD1-O 3.39Å; L578-Y596 HydrophobicContact CD1-CD1 4.47Å; L578-Y596 PolarHBondContact N-O 2.97Å; L578-Y596 PolarHBondContact O-N 2.81Å; Y596-P598 HydrophobicContact CD1-CB 4.5Å; Y596-P598 HydrophobicContact CE1-CB 3.93Å; Y596-N601 PolarHBondContact OH-OD1 2.87Å; Y596-K602 WeakPolarHBondContact CA-O 3.43Å; Y596-W603 AromaticContact CD2-CD1 3.88Å; Y596-W603 HydrophobicContact CD2-CD2 4.13Å; Y596-W603 AromaticContact CD2-CE2 3.74Å; Y596-W603 HydrophobicContact CD2-CG 4.23Å; Y596-W603 HydrophobicContact CD2-CZ2 4.24Å; Y596-W603 AromaticContact CD2-NE1 3.56Å; Y596-W603 HydrophobicContact CG-CD2 4.37Å; Y596-W603 HydrophobicContact CG-CZ2 4.09Å
597	D	97.4	Very high	94.4	Very high	31 Å²	31	66 Å²	66	17%	0.166	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.5	167	-173.5	-41	0	0	0	109.7	Y577 K599 E600 N601 K602	Y577-D597 HydrophobicContact CD1-CB 4.11Å; Y577-D597 HydrophobicContact CE1-CB 4.01Å; D597-K599 VanDerWaalsContact C-N 3.33Å; D597-K599 PolarHBondContact O-N 2.79Å; D597-K599 WeakPolarHBondContact OD1-CA 3.35Å; D597-K599 VanDerWaalsContact OD1-CB 3.28Å; D597-K599 WeakPolarHBondContact OD1-CB 3.44Å; D597-K599 PolarHBondContact OD1-N 3.04Å; D597-E600 HydrophobicContact CB-CB 4.12Å; D597-E600 PolarHBondContact OD1-N 2.88Å; D597-N601 VanDerWaalsContact O-CA 3.3Å; D597-N601 WeakPolarHBondContact O-CA 3.31Å; D597-N601 PolarHBondContact O-N 3.42Å; D597-K602 PolarHBondContact N-O 3.24Å; D597-K602 PolarHBondContact O-N 2.95Å
598	P	96.2	Very high	94.2	Very high	31 Å²	31	64.5 Å²	64.5	20%	0.201	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.7	-179.5	33.2	-39.1	0	0	0	114	L527 D576 Y596	L527-P598 HydrophobicContact CD2-CB 4.02Å; L527-P598 HydrophobicContact CD2-CG 3.99Å; D576-P598 WeakPolarHBondContact O-CD 3.25Å; D576-P598 WeakPolarHBondContact O-CG 3.4Å; Y596-P598 HydrophobicContact CD1-CB 4.5Å; Y596-P598 HydrophobicContact CE1-CB 3.93Å
599	K	96	Very high	93.7	Very high	153 Å²	153	62.1 Å²	62.1	67%	0.665	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-42.5	179.8	-60	160.7	-175.7	161.3	0	110.1	D597	D597-K599 VanDerWaalsContact C-N 3.33Å; D597-K599 PolarHBondContact O-N 2.79Å; D597-K599 WeakPolarHBondContact OD1-CA 3.35Å; D597-K599 VanDerWaalsContact OD1-CB 3.28Å; D597-K599 WeakPolarHBondContact OD1-CB 3.44Å; D597-K599 PolarHBondContact OD1-N 3.04Å
600	E	96.8	Very high	92.8	Very high	112 Å²	112	61.5 Å²	61.5	52%	0.523	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.6	177.9	-73.9	-68.5	129.8	0	0	113.8	D597 K602	D597-E600 HydrophobicContact CB-CB 4.12Å; D597-E600 PolarHBondContact OD1-N 2.88Å; E600-K602 HydrophobicContact CB-CD 4.14Å; E600-K602 HydrophobicContact CB-CG 4.49Å; E600-K602 WeakPolarHBondContact O-CE 3.36Å; E600-K602 WeakPolarHBondContact O-CG 3.23Å; E600-K602 IonicContact OE2-NZ 3.24Å; E600-K602 PolarHBondContact OE2-NZ 2.89Å
601	N	97.2	Very high	91.3	Very high	73 Å²	73	66.5 Å²	66.5	39%	0.39	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	55.1	-174.4	-174	10.9	0	0	0	112	S560 Y596 D597	S560-N601 WeakPolarHBondContact CB-O 3.31Å; S560-N601 WeakPolarHBondContact CB-OD1 3.3Å; S560-N601 PolarHBondContact N-OD1 3.09Å; S560-N601 PolarHBondContact OG-O 2.79Å; Y596-N601 PolarHBondContact OH-OD1 2.87Å; D597-N601 VanDerWaalsContact O-CA 3.3Å; D597-N601 WeakPolarHBondContact O-CA 3.31Å; D597-N601 PolarHBondContact O-N 3.42Å
602	K	97.9	Very high	89.4	Confident	113 Å²	113	64.9 Å²	64.9	49%	0.491	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.7	-175	-72.3	166.3	-158.4	160.1	0	111.5	Y596 D597 E600	Y596-K602 WeakPolarHBondContact CA-O 3.43Å; D597-K602 PolarHBondContact N-O 3.24Å; D597-K602 PolarHBondContact O-N 2.95Å; E600-K602 HydrophobicContact CB-CD 4.14Å; E600-K602 HydrophobicContact CB-CG 4.49Å; E600-K602 WeakPolarHBondContact O-CE 3.36Å; E600-K602 WeakPolarHBondContact O-CG 3.23Å; E600-K602 IonicContact OE2-NZ 3.24Å; E600-K602 PolarHBondContact OE2-NZ 2.89Å
603	W	97.9	Very high	87.2	Confident	16 Å²	16	64.7 Å²	64.7	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.8	168.7	-70.5	92.8	0	0	0	110.7	I534 V546 S560 R561 M562 N563 A580 E594 R595 Y596	I534-W603 HydrophobicContact CG2-CH2 3.98Å; I534-W603 HydrophobicContact CG2-CZ2 3.88Å; V546-W603 HydrophobicContact CG1-CZ2 4.22Å; V546-W603 HydrophobicContact CG2-CZ2 3.78Å; S560-W603 VanDerWaalsContact O-CD1 3.27Å; S560-W603 PolarHBondContact O-NE1 2.95Å; R561-W603 VanDerWaalsContact C-CD1 3.48Å; R561-W603 VanDerWaalsContact O-CD1 3.22Å; M562-W603 HydrophobicContact CG-CD2 3.83Å; M562-W603 HydrophobicContact CG-CE3 4.25Å; M562-W603 HydrophobicContact CG-CG 4.22Å; M562-W603 HydrophobicContact CG-CH2 4.45Å; M562-W603 HydrophobicContact CG-CZ2 4.06Å; N563-W603 PolarHBondContact ND2-O 3.45Å; A580-W603 HydrophobicContact CB-CE3 4.4Å; A580-W603 HydrophobicContact CB-CH2 3.94Å; A580-W603 HydrophobicContact CB-CZ3 3.56Å; E594-W603 HydrophobicContact CB-CE3 3.78Å; E594-W603 HydrophobicContact CB-CZ3 4.35Å; R595-W603 CarbonylContact O-C 3.6Å; R595-W603 WeakPolarHBondContact O-CA 3.39Å; Y596-W603 AromaticContact CD2-CD1 3.88Å; Y596-W603 HydrophobicContact CD2-CD2 4.13Å; Y596-W603 AromaticContact CD2-CE2 3.74Å; Y596-W603 HydrophobicContact CD2-CG 4.23Å; Y596-W603 HydrophobicContact CD2-CZ2 4.24Å; Y596-W603 AromaticContact CD2-NE1 3.56Å; Y596-W603 HydrophobicContact CG-CD2 4.37Å; Y596-W603 HydrophobicContact CG-CZ2 4.09Å
604	E	97.2	Very high	84.4	Confident	104 Å²	104	68.5 Å²	68.5	49%	0.486	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.5	178.5	-179.6	-178.9	-138.9	0	0	110.2	E594 R595 I606	E594-E604 CarbonylContact C-O 3.45Å; E594-E604 VanDerWaalsContact CA-O 3.26Å; E594-E604 WeakPolarHBondContact CA-O 3.26Å; R595-E604 IonicContact CZ-OE2 2.68Å; R595-E604 PolarHBondContact N-O 2.82Å; R595-E604 IonicContact NE-OE2 2.74Å; R595-E604 IonicContact NH2-OE2 3.36Å; R595-E604 PolarHBondContact NH2-OE2 2.92Å; R595-E604 PolarHBondContact O-N 3.22Å; E604-I606 HydrophobicContact CG-CG2 4.26Å; E604-I606 PolarHBondContact O-N 2.89Å
605	I	95.9	Very high	81.2	Confident	94 Å²	94	71 Å²	71	48%	0.482	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113	171.6	-60.6	167.5	0	0	0	108.1	N563 E594	N563-I605 HydrophobicContact CB-CD1 4.16Å; N563-I605 HydrophobicContact CB-CG1 4.32Å; E594-I605 HydrophobicContact CG-CG1 3.75Å
606	I	95	Very high	78	Confident	79 Å²	79	71.5 Å²	71.5	41%	0.405	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-13	-175	59.9	157.8	0	0	0	114.1	Y579 I593 R595 E604	Y579-I606 HydrophobicContact CD1-CD1 3.65Å; Y579-I606 HydrophobicContact CE1-CD1 3.42Å; Y579-I606 VanDerWaalsContact CE1-CD1 3.42Å; I593-I606 HydrophobicContact CB-CG1 4.23Å; I593-I606 HydrophobicContact CG2-CD1 3.93Å; I593-I606 HydrophobicContact CG2-CG1 3.89Å; I593-I606 PolarHBondContact O-N 3.13Å; R595-I606 HydrophobicContact CB-CD1 4.19Å; R595-I606 HydrophobicContact CB-CG1 4.3Å; R595-I606 HydrophobicContact CB-CG2 3.68Å; E604-I606 HydrophobicContact CG-CG2 4.26Å; E604-I606 PolarHBondContact O-N 2.89Å
607	G	89.9	Confident	74.6	Confident	30 Å²	30	76.4 Å²	76.4	31%	0.309	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-171.1	-177.5	0	0	0	0	0	113.5	S592 I593	S592-G607 WeakPolarHBondContact CA-O 3.45Å; I593-G607 PolarHBondContact N-O 3.41Å
608	E	86.9	Confident	71.3	Confident	133 Å²	133	76.5 Å²	76.5	62%	0.621	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.8	178.4	-62.4	-152.2	147.7	0	0	111.9	K591	K591-E608 HydrophobicContact CB-CB 4.01Å; K591-E608 HydrophobicContact CB-CG 4.39Å; K591-E608 WeakPolarHBondContact O-CA 3.44Å
609	M	79.7	Confident	68.1	Low	22 Å²	22	76.9 Å²	76.9	11%	0.108	41%	0.412	C	S	.	.			trans	-65	141.9	165.2	-63.1	-177.8	-67	0	0	110.9	I581 K591 I593 R611	I581-M609 HydrophobicContact CG2-CE 4.19Å; I581-M609 HydrophobicContact CG2-CG 4.21Å; I581-M609 HydrophobicContact CG2-SD 3.5Å; I581-M609 VanDerWaalsContact CG2-SD 3.5Å; K591-M609 WeakPolarHBondContact CD-O 3.42Å; K591-M609 PolarHBondContact O-N 3.33Å; I593-M609 HydrophobicContact CD1-CG 4.21Å; I593-M609 HydrophobicContact CG1-CG 4.32Å; M609-R611 VanDerWaalsContact CB-O 3.24Å; M609-R611 WeakPolarHBondContact CB-O 3.04Å; M609-R611 PolarHBondContact O-N 3.35Å
610	S	69.6	Low	65.2	Low	105 Å²	105	72.1 Å²	72.1	73%	0.734	40%	0.399	S	S	*	.	S	Bend	trans	-56.2	-35.4	177.3	61.6	0	0	0	0	112.9	K591	K591-S610 PolarHBondContact NZ-O 3.38Å
611	R	56.7	Low	62.1	Low	122 Å²	122	67.6 Å²	67.6	46%	0.46	38%	0.382	S	S	.	.	S	Bend	trans	-120.8	146.7	174.9	-66.5	-179.1	170.2	-153.1	-7.8	110.8	M609 Y629	M609-R611 VanDerWaalsContact CB-O 3.24Å; M609-R611 WeakPolarHBondContact CB-O 3.04Å; M609-R611 PolarHBondContact O-N 3.35Å; R611-Y629 VanDerWaalsContact NH2-CE1 3.3Å
612	S	50.5	Low	59.1	Low	44 Å²	44	68.1 Å²	68.1	31%	0.308	38%	0.384	S	S	.	.			trans	-69.3	132.7	176.2	46.8	0	0	0	0	110	R589 W614	R589-S612 VanDerWaalsContact O-CB 3.27Å; R589-S612 WeakPolarHBondContact O-CB 3.11Å; S612-W614 PolarHBondContact O-N 3.18Å
613	G	44.2	Very low	55.8	Low	9 Å²	9	65.5 Å²	65.5	9%	0.093	38%	0.379	C	S	.	.	S	Bend	trans	-70.4	17.2	-161.9	0	0	0	0	0	117.8	L590 S620	L590-G613 PolarHBondContact O-N 3.18Å; G613-S620 VanDerWaalsContact C-OG 3.27Å; G613-S620 WeakPolarHBondContact CA-OG 3.5Å; G613-S620 PolarHBondContact O-OG 3.11Å
614	W	37.1	Very low	52.4	Low	103 Å²	103	70.8 Å²	70.8	39%	0.39	41%	0.409	S	S	.	.			trans	-146.1	110.3	175.8	-71.1	76.2	0	0	0	108.3	G568 R589 S612	G568-W614 PolarHBondContact O-NE1 3.42Å; G568-W614 VanDerWaalsContact O-NE1 3.14Å; R589-W614 HydrophobicContact CB-CB 4.37Å; R589-W614 WeakPolarHBondContact CD-O 3.5Å; R589-W614 HydrophobicContact CG-CB 3.95Å; R589-W614 PolarHBondContact NH1-O 2.75Å; S612-W614 PolarHBondContact O-N 3.18Å
615	S	28.5	Very low	49.1	Very low	53 Å²	53	73.9 Å²	73.9	37%	0.371	42%	0.424	S	S	.	.			trans	-100.6	-166.1	165.2	9.3	0	0	0	0	110	R589 E617	R589-S615 PolarHBondContact NH1-O 2.88Å; S615-E617 WeakPolarHBondContact CB-O 3.36Å; S615-E617 PolarHBondContact OG-O 3.46Å
616	G	29.9	Very low	46.1	Very low	71 Å²	71	71.4 Å²	71.4	73%	0.732	41%	0.412	S	S	*	.	S	Bend	trans	-84.4	24	153.1	0	0	0	0	0	111.7
617	E	26.6	Very low	42.8	Very low	107 Å²	107	73.1 Å²	73.1	50%	0.5	42%	0.419	S	S	.	.	S	Bend	trans	-146.5	141.1	-174.3	-59	-179.2	150	0	0	105.8	S615	S615-E617 WeakPolarHBondContact CB-O 3.36Å; S615-E617 PolarHBondContact OG-O 3.46Å
618	P	28.7	Very low	39.8	Very low	32 Å²	32	73.5 Å²	73.5	21%	0.208	42%	0.416	C	S	.	.			trans	-88	-164.5	-173	41.1	-43.2	0	0	0	112.7	I632 F634	P618-I632 WeakPolarHBondContact CD-O 3.16Å; P618-I632 WeakPolarHBondContact CG-O 3.27Å; P618-F634 WeakPolarHBondContact CB-O 3.38Å; P618-F634 HydrophobicContact CG-CB 4.48Å; P618-F634 VanDerWaalsContact CG-O 3.23Å; P618-F634 WeakPolarHBondContact CG-O 2.96Å
619	A	29	Very low	36.9	Very low	39 Å²	39	71.5 Å²	71.5	32%	0.322	40%	0.404	S	S	.	.			trans	62.3	78.1	-174.4	0	0	0	0	0	113.1	W332 C628	W332-A619 HydrophobicContact CZ2-CB 4.16Å; A619-C628 HydrophobicContact CB-CB 4.01Å
620	S	35.1	Very low	34.4	Very low	54 Å²	54	73.1 Å²	73.1	38%	0.378	41%	0.413	S	S	.	.			trans	-154.9	140.3	153.9	18.2	0	0	0	0	110.4	G613	G613-S620 VanDerWaalsContact C-OG 3.27Å; G613-S620 WeakPolarHBondContact CA-OG 3.5Å; G613-S620 PolarHBondContact O-OG 3.11Å
621	G	30.7	Very low	32.4	Very low	16 Å²	16	69.2 Å²	69.2	17%	0.165	39%	0.385	C	S	.	.	S	Bend	trans	137.8	-10.1	-169.7	0	0	0	0	0	114.5	S570	S570-G621 PolarHBondContact OG-O 3.41Å
622	I	33.4	Very low	31.1	Very low	85 Å²	85	66.7 Å²	66.7	44%	0.436	38%	0.379	S	S	.	.			trans	-120.9	107.1	170.4	-57.7	176.5	0	0	0	108.3	A306	A306-I622 HydrophobicContact CB-CD1 4.3Å
623	S	29.5	Very low	30	Very low	57 Å²	57	66.3 Å²	66.3	40%	0.399	38%	0.377	S	S	.	.			trans	-129.7	136.3	160.7	-165	0	0	0	0	103.8
624	D	27.1	Very low	29.4	Very low	128 Å²	128	66.1 Å²	66.1	68%	0.684	37%	0.374	S	S	*	.	S	Bend	cis	-115.1	179.1	30.3	-59.5	-43.6	0	0	0	116	V626	D624-V626 VanDerWaalsContact C-N 3.3Å; D624-V626 PolarHBondContact O-N 2.92Å
625	Q	27.2	Very low	29.9	Very low	169 Å²	169	63.2 Å²	63.2	79%	0.79	37%	0.369	S	S	*	.	S	Bend	trans	65.9	6.3	178.7	-58.4	-160.5	-27.3	0	0	118.3
626	V	33.1	Very low	31	Very low	41 Å²	41	63 Å²	63	25%	0.248	37%	0.37	C	S	.	.			trans	-118.6	97.9	-175.2	171.2	0	0	0	0	112.3	Y325 D624 C628	Y325-V626 HydrophobicContact CD1-CG1 3.8Å; Y325-V626 HydrophobicContact CD1-CG2 4.15Å; Y325-V626 HydrophobicContact CE1-CB 3.98Å; Y325-V626 HydrophobicContact CE1-CG1 3.39Å; Y325-V626 HydrophobicContact CE1-CG2 3.74Å; Y325-V626 HydrophobicContact CE2-CG1 4.38Å; Y325-V626 HydrophobicContact CG-CG1 4.43Å; D624-V626 VanDerWaalsContact C-N 3.3Å; D624-V626 PolarHBondContact O-N 2.92Å; V626-C628 VanDerWaalsContact CG1-SG 3.58Å; V626-C628 PolarHBondContact O-N 2.76Å; V626-C628 VanDerWaalsContact O-N 3.14Å
627	E	26.1	Very low	32.8	Very low	116 Å²	116	60.5 Å²	60.5	54%	0.542	34%	0.341	S	S	.	.			trans	-79.2	92.2	175.1	-72.7	-177.9	117.4	0	0	111.3	K330 Y629	K330-E627 IonicContact NZ-OE2 3.27Å; K330-E627 PolarHBondContact NZ-OE2 3.3Å; E627-Y629 PolarHBondContact O-N 2.76Å
628	C	27.2	Very low	35.5	Very low	37 Å²	37	56.1 Å²	56.1	25%	0.25	32%	0.323	C	S	.	.			trans	-82.5	108	173.9	-74.1	0	0	0	0	112.2	W332 A619 V626	W332-C628 PolarHBondContact NE1-SG 2.91Å; A619-C628 HydrophobicContact CB-CB 4.01Å; V626-C628 VanDerWaalsContact CG1-SG 3.58Å; V626-C628 PolarHBondContact O-N 2.76Å; V626-C628 VanDerWaalsContact O-N 3.14Å
629	Y	26.4	Very low	38.3	Very low	92 Å²	92	56.8 Å²	56.8	36%	0.361	33%	0.33	S	S	.	.			trans	-131.6	121.9	171.8	-85.4	-112	0	0	0	111.2	H351 R611 E627	H351-Y629 AromaticContact NE2-CD1 3.95Å; R611-Y629 VanDerWaalsContact NH2-CE1 3.3Å; E627-Y629 PolarHBondContact O-N 2.76Å
630	N	25.6	Very low	41.1	Very low	55 Å²	55	55.5 Å²	55.5	29%	0.294	32%	0.319	S	S	.	.			trans	65	55.9	156.1	-52.6	-11.8	0	0	0	119.2	N347	N347-N630 WeakPolarHBondContact CB-ND2 3.39Å
631	V	27.5	Very low	43.7	Very low	24 Å²	24	55.7 Å²	55.7	15%	0.145	32%	0.318	C	S	.	.			trans	-134	86.7	165.1	-170.2	0	0	0	0	113.7	W332 L343 P345	W332-V631 HydrophobicContact CB-CB 4.33Å; W332-V631 HydrophobicContact CB-CG1 4.38Å; W332-V631 HydrophobicContact CB-CG2 4.26Å; L343-V631 HydrophobicContact CB-CG1 4.38Å; P345-V631 HydrophobicContact CB-CG2 4.15Å; P345-V631 HydrophobicContact CG-CG2 3.7Å
632	I	30.6	Very low	46.5	Very low	68 Å²	68	55 Å²	55	35%	0.349	31%	0.311	S	S	.	.			trans	69.9	137.7	155.2	-44.3	159.6	0	0	0	118.1	L343 P618 F634	L343-I632 HydrophobicContact CB-CD1 3.98Å; L343-I632 HydrophobicContact CD1-CD1 3.48Å; L343-I632 VanDerWaalsContact CD1-CD1 3.48Å; L343-I632 HydrophobicContact CD2-CD1 3.8Å; L343-I632 HydrophobicContact CG-CD1 3.91Å; P618-I632 WeakPolarHBondContact CD-O 3.16Å; P618-I632 WeakPolarHBondContact CG-O 3.27Å; I632-F634 HydrophobicContact CB-CD2 3.85Å; I632-F634 HydrophobicContact CB-CE2 3.82Å; I632-F634 HydrophobicContact CD1-CE2 4.11Å; I632-F634 HydrophobicContact CG2-CD2 3.6Å; I632-F634 HydrophobicContact CG2-CE2 3.33Å; I632-F634 HydrophobicContact CG2-CZ 4.15Å; I632-F634 PolarHBondContact O-N 3.14Å
633	S	27.5	Very low	49	Very low	37 Å²	37	56.8 Å²	56.8	26%	0.259	32%	0.315	S	S	.	.			trans	-67.9	92.9	174.7	-167.2	0	0	0	0	113.4	D314	D314-S633 VanDerWaalsContact OD2-CB 3.26Å; D314-S633 WeakPolarHBondContact OD2-CB 3.35Å; D314-S633 PolarHBondContact OD2-OG 2.82Å
634	F	31.8	Very low	51.5	Low	5 Å²	5	55 Å²	55	2%	0.022	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	98.4	170.9	-69.5	-74.8	0	0	0	110.9	W312 R313 V319 L334 P618 I632 A636	W312-F634 VanDerWaalsContact O-CA 3.27Å; W312-F634 WeakPolarHBondContact O-CA 3.42Å; R313-F634 HydrophobicContact CB-CD1 3.99Å; R313-F634 HydrophobicContact CB-CE1 3.8Å; R313-F634 HydrophobicContact CG-CD1 4.49Å; R313-F634 HydrophobicContact CG-CE1 4.05Å; R313-F634 VanDerWaalsContact NE-CE1 3.31Å; V319-F634 HydrophobicContact CG1-CE1 4.2Å; V319-F634 HydrophobicContact CG2-CD1 3.83Å; V319-F634 HydrophobicContact CG2-CE1 3.88Å; L334-F634 HydrophobicContact CD1-CE2 4.32Å; L334-F634 HydrophobicContact CD2-CE2 3.94Å; L334-F634 HydrophobicContact CD2-CZ 3.99Å; P618-F634 WeakPolarHBondContact CB-O 3.38Å; P618-F634 HydrophobicContact CG-CB 4.48Å; P618-F634 VanDerWaalsContact CG-O 3.23Å; P618-F634 WeakPolarHBondContact CG-O 2.96Å; I632-F634 HydrophobicContact CB-CD2 3.85Å; I632-F634 HydrophobicContact CB-CE2 3.82Å; I632-F634 HydrophobicContact CD1-CE2 4.11Å; I632-F634 HydrophobicContact CG2-CD2 3.6Å; I632-F634 HydrophobicContact CG2-CE2 3.33Å; I632-F634 HydrophobicContact CG2-CZ 4.15Å; I632-F634 PolarHBondContact O-N 3.14Å; F634-A636 PolarHBondContact O-N 2.97Å
635	S	47.2	Very low	54	Low	41 Å²	41	49 Å²	49	29%	0.287	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	114.1	175.9	65	0	0	0	0	109.8	G311 W312	G311-S635 CarbonylContact C-O 3.56Å; G311-S635 WeakPolarHBondContact CA-O 3.33Å; W312-S635 WeakPolarHBondContact CB-OG 3.04Å; W312-S635 PolarHBondContact N-O 2.86Å; W312-S635 PolarHBondContact O-N 2.96Å
636	A	51.8	Low	56.5	Low	48 Å²	48	46.3 Å²	46.3	40%	0.397	27%	0.265	S	S	.	.			trans	-62.3	136.7	-172.6	0	0	0	0	0	110.9	V308 F634	V308-A636 HydrophobicContact CG1-CB 3.52Å; F634-A636 PolarHBondContact O-N 2.97Å
637	S	67.2	Low	58.9	Low	19 Å²	19	46.2 Å²	46.2	13%	0.133	26%	0.263	C	S	.	.			trans	-75.9	-56.2	173.2	-169.1	0	0	0	0	111	F309 Y424 A425	F309-S637 WeakPolarHBondContact O-CB 3.18Å; Y424-S637 PolarHBondContact N-OG 2.89Å; A425-S637 WeakPolarHBondContact CA-OG 3.25Å; A425-S637 WeakPolarHBondContact CB-OG 3.17Å; A425-S637 PolarHBondContact N-OG 2.82Å; A425-S637 CarbonylContact O-C 3.52Å; A425-S637 PolarHBondContact O-OG 3.22Å
638	C	82.1	Confident	61.8	Low	16 Å²	16	40.7 Å²	40.7	11%	0.108	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	159.9	-172.9	50.7	0	0	0	0	109.8	V308 F309 A425 C427	V308-C638 CarbonylContact C-O 3.57Å; V308-C638 WeakPolarHBondContact CA-O 3.38Å; F309-C638 PolarHBondContact N-O 2.83Å; A425-C638 VanDerWaalsContact O-CB 3.28Å; A425-C638 WeakPolarHBondContact O-CB 3.5Å; C427-C638 HydrophobicContact CB-CB 3.89Å; C427-C638 VanDerWaalsContact CB-SG 3.59Å; C427-C638 VanDerWaalsContact SG-CB 3.6Å
639	A	87.4	Confident	64.4	Low	45 Å²	45	43.8 Å²	43.8	37%	0.372	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.2	-178.2	0	0	0	0	0	112.2	M307 V308 C427	M307-A639 CarbonylContact O-C 3.51Å; M307-A639 WeakPolarHBondContact O-CA 3.1Å; V308-A639 HydrophobicContact CB-CB 4.44Å; V308-A639 HydrophobicContact CG2-CB 3.91Å; C427-A639 VanDerWaalsContact SG-C 3.53Å
640	C	88.8	Confident	67	Low	13 Å²	13	41.7 Å²	41.7	9%	0.088	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.7	169.8	70.2	0	0	0	0	111.1	M307 L429	M307-C640 PolarHBondContact N-O 3.36Å; M307-C640 PolarHBondContact O-N 2.79Å; L429-C640 HydrophobicContact CB-CB 3.99Å
641	T	89.7	Confident	69.6	Low	58 Å²	58	39.1 Å²	39.1	36%	0.356	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.9	172.4	-58.6	0	0	0	0	109.6	Q304 I305 L429 K643	Q304-T641 HydrophobicContact CB-CG2 3.97Å; I305-T641 CarbonylContact O-C 3.5Å; I305-T641 WeakPolarHBondContact O-CA 3.03Å; L429-T641 WeakPolarHBondContact CD2-O 3.24Å; T641-K643 HydrophobicContact CG2-CG 4.28Å
642	L	89.3	Confident	71.9	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140.3	171.2	-178.8	60.9	0	0	0	109.2	Q304 I305 M307 L429 F454 L647 V648 Y651	Q304-L642 CarbonylContact C-O 3.52Å; Q304-L642 VanDerWaalsContact CA-O 3.23Å; Q304-L642 WeakPolarHBondContact CA-O 3.23Å; I305-L642 HydrophobicContact CD1-CD2 4.39Å; I305-L642 HydrophobicContact CG1-CB 4.07Å; I305-L642 PolarHBondContact N-O 2.81Å; I305-L642 PolarHBondContact O-N 2.98Å; M307-L642 HydrophobicContact CG-CB 4.43Å; M307-L642 HydrophobicContact SD-CB 3.92Å; M307-L642 HydrophobicContact SD-CD2 3.76Å; M307-L642 HydrophobicContact SD-CG 4.48Å; L429-L642 HydrophobicContact CD2-CD1 4.47Å; F454-L642 HydrophobicContact CB-CD1 4.28Å; F454-L642 HydrophobicContact CB-CD2 4.31Å; F454-L642 HydrophobicContact CD1-CD2 4.04Å; F454-L642 HydrophobicContact CD2-CD1 3.61Å; F454-L642 HydrophobicContact CD2-CD2 4.25Å; F454-L642 HydrophobicContact CE2-CD1 4.16Å; F454-L642 HydrophobicContact CG-CD1 3.99Å; F454-L642 HydrophobicContact CG-CD2 3.94Å; L642-L647 HydrophobicContact CD1-CB 4.44Å; L642-L647 HydrophobicContact CD1-CD1 4.44Å; L642-L647 HydrophobicContact CD2-CB 4.44Å; L642-V648 HydrophobicContact CG-CG2 4.28Å; L642-Y651 HydrophobicContact CD2-CD2 3.8Å; L642-Y651 HydrophobicContact CD2-CE2 4.14Å
643	K	86.9	Confident	73.4	Confident	122 Å²	122	39.8 Å²	39.8	53%	0.53	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	159.3	-175.7	-51.7	-165.4	-178	-160.1	0	112	H303 Q304 T641	H303-K643 CarbonylContact O-C 3.59Å; H303-K643 WeakPolarHBondContact O-CA 3.47Å; Q304-K643 HydrophobicContact CB-CG 4.41Å; Q304-K643 HydrophobicContact CG-CB 4.15Å; Q304-K643 HydrophobicContact CG-CD 4.14Å; Q304-K643 HydrophobicContact CG-CG 3.83Å; Q304-K643 VanDerWaalsContact OE1-NZ 3.14Å; T641-K643 HydrophobicContact CG2-CG 4.28Å
644	G	81	Confident	74.5	Confident	21 Å²	21	39.9 Å²	39.9	22%	0.216	23%	0.229	C	C	.	.	S	Bend	trans	94.1	122.3	176.9	0	0	0	0	0	111.2	H303 D646 L647 V648	H303-G644 PolarHBondContact O-N 2.9Å; G644-D646 PolarHBondContact O-N 2.77Å; G644-L647 PolarHBondContact O-N 2.95Å; G644-L647 VanDerWaalsContact O-N 3.16Å; G644-V648 WeakPolarHBondContact O-CG2 3.21Å; G644-V648 PolarHBondContact O-N 3.06Å
645	C	78.9	Confident	74.9	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-39.4	-161.5	-162.5	0	0	0	0	113.8	E183 T210 L647 V648 K649	E183-C645 PolarHBondContact OE1-N 3.39Å; T210-C645 VanDerWaalsContact CG2-SG 3.51Å; C645-L647 VanDerWaalsContact C-N 3.35Å; C645-L647 PolarHBondContact O-N 3.12Å; C645-V648 PolarHBondContact O-N 3.25Å; C645-K649 WeakPolarHBondContact O-CB 3.32Å; C645-K649 PolarHBondContact O-N 3.17Å
646	D	80	Confident	74	Confident	113 Å²	113	47.3 Å²	47.3	60%	0.604	27%	0.272	S	S	*	.	H	α-helix	trans	-60.8	-41.6	179.4	-68	-42.8	0	0	0	112.8	G644	G644-D646 PolarHBondContact O-N 2.77Å
647	L	83.3	Confident	72.7	Confident	38 Å²	38	52 Å²	52	20%	0.199	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-44.4	177	-67.4	172.1	0	0	0	110.6	T432 F454 Q455 L642 G644 C645 K650 Y651	T432-L647 HydrophobicContact CG2-CD1 3.87Å; F454-L647 HydrophobicContact CB-CD2 4.45Å; Q455-L647 HydrophobicContact CB-CD2 4.02Å; Q455-L647 HydrophobicContact CG-CD2 4.37Å; L642-L647 HydrophobicContact CD1-CB 4.44Å; L642-L647 HydrophobicContact CD1-CD1 4.44Å; L642-L647 HydrophobicContact CD2-CB 4.44Å; G644-L647 PolarHBondContact O-N 2.95Å; G644-L647 VanDerWaalsContact O-N 3.16Å; C645-L647 VanDerWaalsContact C-N 3.35Å; C645-L647 PolarHBondContact O-N 3.12Å; L647-K650 WeakPolarHBondContact O-CB 3.46Å; L647-K650 PolarHBondContact O-N 2.85Å; L647-Y651 WeakPolarHBondContact O-CD2 3.31Å
648	V	86.6	Confident	70.6	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-42	-178.3	173.3	0	0	0	0	111.8	P302 I305 L642 G644 C645 K650 Y651 I652	P302-V648 HydrophobicContact CB-CG1 4.35Å; P302-V648 HydrophobicContact CG-CG1 3.86Å; P302-V648 WeakPolarHBondContact O-CG1 3.14Å; I305-V648 HydrophobicContact CB-CG1 4.27Å; I305-V648 HydrophobicContact CD1-CG1 3.98Å; I305-V648 HydrophobicContact CG1-CB 4.44Å; I305-V648 HydrophobicContact CG1-CG1 3.86Å; I305-V648 HydrophobicContact CG1-CG2 4.04Å; I305-V648 HydrophobicContact CG2-CG1 3.55Å; L642-V648 HydrophobicContact CG-CG2 4.28Å; G644-V648 WeakPolarHBondContact O-CG2 3.21Å; G644-V648 PolarHBondContact O-N 3.06Å; C645-V648 PolarHBondContact O-N 3.25Å; V648-K650 PolarHBondContact O-N 3.18Å; V648-Y651 PolarHBondContact O-N 3.36Å; V648-I652 HydrophobicContact CG1-CD1 4.39Å; V648-I652 HydrophobicContact CG1-CG2 4.19Å; V648-I652 PolarHBondContact O-N 3.18Å
649	K	83	Confident	67.9	Low	102 Å²	102	59.7 Å²	59.7	44%	0.443	34%	0.344	S	S	.	.	H	α-helix	trans	-52.9	-38.3	179.3	-173	172.6	-174.2	171	0	112.6	L301 C645 Y651 I652 N653	L301-K649 HydrophobicContact CD1-CD 3.9Å; L301-K649 HydrophobicContact CD1-CG 4.17Å; C645-K649 WeakPolarHBondContact O-CB 3.32Å; C645-K649 PolarHBondContact O-N 3.17Å; K649-Y651 PolarHBondContact O-N 2.84Å; K649-I652 WeakPolarHBondContact O-CG1 3.21Å; K649-N653 PolarHBondContact O-N 2.93Å
650	K	80	Confident	65.1	Low	49 Å²	49	62.6 Å²	62.6	21%	0.213	36%	0.361	C	S	.	.	H	α-helix	trans	-58.7	-39.5	176.7	176.8	171.5	-179.6	170.7	0	113.4	L415 E457 L647 V648	L415-K650 HydrophobicContact CD2-CG 3.78Å; L415-K650 WeakPolarHBondContact CD2-O 3.35Å; E457-K650 VanDerWaalsContact CG-NZ 3.3Å; E457-K650 WeakPolarHBondContact OE1-CE 3.46Å; E457-K650 IonicContact OE1-NZ 3.89Å; E457-K650 PolarHBondContact OE1-NZ 3.5Å; L647-K650 WeakPolarHBondContact O-CB 3.46Å; L647-K650 PolarHBondContact O-N 2.85Å; V648-K650 PolarHBondContact O-N 3.18Å
651	Y	80.1	Confident	62.2	Low	0 Å²	0	69.4 Å²	69.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-96.1	-11.5	-172.4	-61.7	-80.7	0	0	0	114.8	M307 L415 I416 Y452 F454 L642 L647 V648 K649	M307-Y651 HydrophobicContact CE-CD1 4.15Å; M307-Y651 HydrophobicContact CE-CG 4.21Å; L415-Y651 HydrophobicContact CD2-CD1 3.8Å; L415-Y651 HydrophobicContact CD2-CE1 3.9Å; L415-Y651 HydrophobicContact CD2-CG 4.49Å; L415-Y651 HydrophobicContact CG-CE1 4.27Å; I416-Y651 HydrophobicContact CD1-CD1 4.33Å; I416-Y651 HydrophobicContact CG1-CD1 4.06Å; I416-Y651 HydrophobicContact CG1-CE1 3.96Å; Y452-Y651 PolarHBondContact OH-OH 2.87Å; Y452-Y651 VanDerWaalsContact OH-OH 3.1Å; F454-Y651 HydrophobicContact CB-CE2 4.02Å; F454-Y651 HydrophobicContact CD1-CD2 4.43Å; F454-Y651 HydrophobicContact CD1-CE1 4.23Å; F454-Y651 AromaticContact CD1-CE2 3.77Å; F454-Y651 HydrophobicContact CD1-CE2 3.77Å; F454-Y651 AromaticContact CD1-CZ 3.68Å; F454-Y651 HydrophobicContact CG-CE2 4.31Å; F454-Y651 PolarHBondContact O-OH 3.27Å; L642-Y651 HydrophobicContact CD2-CD2 3.8Å; L642-Y651 HydrophobicContact CD2-CE2 4.14Å; L647-Y651 WeakPolarHBondContact O-CD2 3.31Å; V648-Y651 PolarHBondContact O-N 3.36Å; K649-Y651 PolarHBondContact O-N 2.84Å
652	I	75.9	Confident	59.1	Low	12 Å²	12	70.9 Å²	70.9	6%	0.062	40%	0.403	C	S	.	.	H	α-helix	trans	-92.5	-41.3	177.4	60.2	-178.3	0	0	0	113.7	L301 P302 I305 N326 V648 K649 P654	L301-I652 HydrophobicContact CB-CD1 4.46Å; L301-I652 HydrophobicContact CD2-CD1 3.83Å; P302-I652 HydrophobicContact CG-CD1 3.68Å; P302-I652 HydrophobicContact CG-CG2 4.19Å; I305-I652 HydrophobicContact CD1-CG2 4.3Å; I305-I652 HydrophobicContact CG2-CG2 3.84Å; N326-I652 HydrophobicContact CB-CG2 4.38Å; V648-I652 HydrophobicContact CG1-CD1 4.39Å; V648-I652 HydrophobicContact CG1-CG2 4.19Å; V648-I652 PolarHBondContact O-N 3.18Å; K649-I652 WeakPolarHBondContact O-CG1 3.21Å; I652-P654 WeakPolarHBondContact O-CD 3.43Å
653	N	62.2	Low	56.2	Low	95 Å²	95	76.6 Å²	76.6	51%	0.508	43%	0.433	S	S	.	.			trans	-125.5	76.2	-174.4	-81.3	-18.7	0	0	0	110.4	K649 L655	K649-N653 PolarHBondContact O-N 2.93Å; N653-L655 PolarHBondContact O-N 3.19Å
654	P	51.6	Low	53.3	Low	39 Å²	39	77.1 Å²	77.1	25%	0.253	44%	0.442	S	S	.	.			trans	-78.4	61.8	-177.7	35.3	-38.8	0	0	0	112.3	W335 I652	W335-P654 HydrophobicContact CH2-CB 3.67Å; W335-P654 HydrophobicContact CH2-CG 3.67Å; W335-P654 HydrophobicContact CZ2-CB 4.29Å; W335-P654 HydrophobicContact CZ2-CG 3.95Å; I652-P654 WeakPolarHBondContact O-CD 3.43Å
655	L	39.6	Very low	50.7	Low	116 Å²	116	82.9 Å²	82.9	61%	0.607	47%	0.468	S	S	*	.			trans	-89.4	143.1	167.8	-76.5	158.1	0	0	0	109.1	P388 N653 T657	P388-L655 HydrophobicContact CB-CD1 3.8Å; P388-L655 HydrophobicContact CB-CD2 4.19Å; P388-L655 HydrophobicContact CG-CD2 4.26Å; N653-L655 PolarHBondContact O-N 3.19Å; L655-T657 PolarHBondContact O-N 3.01Å
656	S	27.9	Very low	48.2	Very low	86 Å²	86	90.2 Å²	90.2	60%	0.601	50%	0.5	S	S	*	.			trans	-58.1	129.2	-170.4	56.6	0	0	0	0	112.4	V658	S656-V658 VanDerWaalsContact C-N 3.3Å; S656-V658 PolarHBondContact O-N 3.23Å
657	T	25.3	Very low	45.7	Very low	145 Å²	145	92.3 Å²	92.3	89%	0.89	51%	0.511	S	S	*	.			trans	-64.8	82.3	173.6	15	0	0	0	0	111.9	L655 S659	L655-T657 PolarHBondContact O-N 3.01Å; T657-S659 PolarHBondContact O-N 3.15Å
658	V	23.9	Very low	43	Very low	124 Å²	124	98.1 Å²	98.1	75%	0.752	54%	0.542	S	S	*	.			trans	-61.5	131.1	155.8	-177	0	0	0	0	107	S656	S656-V658 VanDerWaalsContact C-N 3.3Å; S656-V658 PolarHBondContact O-N 3.23Å
659	S	25.2	Very low	40.1	Very low	74 Å²	74	104.6 Å²	104.6	52%	0.517	58%	0.58	S	S	.	*			trans	-62.6	138	-164.5	48.9	0	0	0	0	113.2	T657 H661	T657-S659 PolarHBondContact O-N 3.15Å; S659-H661 PolarHBondContact O-N 2.88Å
660	S	27.3	Very low	37.4	Very low	105 Å²	105	111.2 Å²	111.2	73%	0.734	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-66.5	14.1	176.2	46.1	0	0	0	0	115	C662	S660-C662 VanDerWaalsContact C-N 3.34Å
661	H	27.6	Very low	35	Very low	156 Å²	156	118.6 Å²	118.6	72%	0.722	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-90.6	14.8	178.4	-84.9	-52.6	0	0	0	114.2	S659	S659-H661 PolarHBondContact O-N 2.88Å
662	C	25.8	Very low	32.6	Very low	89 Å²	89	122.1 Å²	122.1	60%	0.601	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-114	3.9	-179.1	-69.4	0	0	0	0	114.7	S660	S660-C662 VanDerWaalsContact C-N 3.34Å
663	L	27.7	Very low	30.3	Very low	121 Å²	121	131.3 Å²	131.3	63%	0.634	72%	0.716	S	S	*	*			trans	-96.2	-13.6	-178.3	-77.5	165.4	0	0	0	114.5	N665	L663-N665 PolarHBondContact O-N 3.12Å
664	D	26.5	Very low	28.9	Very low	134 Å²	134	136 Å²	136	72%	0.717	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	7.4	-174.7	-63.6	-45.8	0	0	0	115.9
665	N	26.7	Very low	27.9	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-4.8	-175.5	-83	-49.6	0	0	0	115.6	L663 N667	L663-N665 PolarHBondContact O-N 3.12Å; N665-N667 PolarHBondContact O-N 2.76Å
666	F	26.9	Very low	27.7	Very low	154 Å²	154	141.7 Å²	141.7	68%	0.675	77%	0.769	S	S	*	*			trans	-82.6	63.1	177.9	-80.7	-83.2	0	0	0	112.4	I391	I391-F666 HydrophobicContact CD1-CE2 4Å; I391-F666 HydrophobicContact CD1-CZ 4.42Å
667	N	26.9	Very low	28	Very low	158 Å²	158	144.7 Å²	144.7	85%	0.845	78%	0.779	S	S	*	*	S	Bend	trans	-148.8	29.2	176.2	-121.9	-31.7	0	0	0	114	N665	N665-N667 PolarHBondContact O-N 2.76Å
668	L	26.1	Very low	28.7	Very low	160 Å²	160	148.6 Å²	148.6	84%	0.838	78%	0.777	S	S	*	*			trans	-137.8	163.3	173.7	-80	168.6	0	0	0	110
669	V	26.3	Very low	29.4	Very low	135 Å²	135	149.6 Å²	149.6	82%	0.818	78%	0.778	S	S	*	*	S	Bend	trans	71.9	51.3	-179.8	-157	0	0	0	0	115.3
670	Y	25.9	Very low	30.3	Very low	241 Å²	241	154.4 Å²	154.4	95%	0.945	80%	0.798	S	S	*	*			trans	-150.8	78.5	141.4	-98.7	-69.3	0	0	0	110.3
671	K	30.1	Very low	30.8	Very low	204 Å²	204	156.9 Å²	156.9	89%	0.887	80%	0.803	S	S	*	*			trans	-125.5	128.6	158.7	-82	-170.7	173	-177.7	0	107.3
672	G	28.3	Very low	31.8	Very low	75 Å²	75	154.5 Å²	154.5	77%	0.773	80%	0.796	S	S	*	*			trans	-70.6	138.4	-170.1	0	0	0	0	0	113.4	E674	G672-E674 PolarHBondContact O-N 2.85Å; G672-E674 VanDerWaalsContact O-N 3.11Å
673	E	28.5	Very low	32.4	Very low	204 Å²	204	160.7 Å²	160.7	95%	0.953	81%	0.807	S	S	*	*			trans	-80.7	72.2	163.5	-66.3	-170.8	132.6	0	0	109.6	G675	E673-G675 PolarHBondContact O-N 2.9Å
674	E	32.3	Very low	33.1	Very low	194 Å²	194	168.4 Å²	168.4	91%	0.907	84%	0.835	S	S	*	*			trans	-77.3	98.5	170.2	-76	-162.3	140.1	0	0	111.1	G672	G672-E674 PolarHBondContact O-N 2.85Å; G672-E674 VanDerWaalsContact O-N 3.11Å
675	G	30.9	Very low	33.4	Very low	66 Å²	66	170.2 Å²	170.2	68%	0.68	84%	0.841	S	S	*	*			trans	62.3	107.9	141.3	0	0	0	0	0	118.9	E673	E673-G675 PolarHBondContact O-N 2.9Å
676	K	36	Very low	33.8	Very low	208 Å²	208	171.6 Å²	171.6	90%	0.904	85%	0.845	S	S	*	*			trans	-155.8	83.7	143.6	-117.2	163.1	-167.9	171.2	0	113.5	R678	K676-R678 PolarHBondContact O-N 2.85Å
677	D	34.5	Very low	34.2	Very low	150 Å²	150	172.6 Å²	172.6	80%	0.802	86%	0.855	S	S	*	*			trans	-67.8	116	154.9	-65.1	-53.1	0	0	0	109.6
678	R	39.5	Very low	34.6	Very low	226 Å²	226	173.5 Å²	173.5	85%	0.853	86%	0.855	S	S	*	*				-171.2	135.5	124.1	-108.8	158.7	-70.6	-174.4	-2.5	113.4	K676	K676-R678 PolarHBondContact O-N 2.85Å
679	D	38.5	Very low	35.1	Very low	146 Å²	146	174.3 Å²	174.3	78%	0.781	86%	0.856	S	S	*	*			trans	-21	135.1	154.1	-38.2	-64.5	0	0	0	115.8
680	D	44	Very low	35.7	Very low	174 Å²	174	176.9 Å²	176.9	93%	0.93	86%	0.859	S	S	*	*			trans	-152.1	120.2	132	-104.1	-29.5	0	0	0	108
681	D	38.9	Very low	36.4	Very low	157 Å²	157	172.4 Å²	172.4	84%	0.84	85%	0.853	S	S	*	*			trans	-119.8	167.3	172.7	-165.3	2.9	0	0	0	108.6
682	D	47.9	Very low	36.9	Very low	107 Å²	107	169.9 Å²	169.9	57%	0.572	85%	0.85	S	S	*	*			trans	67.2	84.3	175.1	-114.8	-21.1	0	0	0	117.9
683	R	37.9	Very low	37.6	Very low	219 Å²	219	177.8 Å²	177.8	83%	0.826	86%	0.857	S	S	*	*				48.6	109.5	126.4	-58.1	178.1	-172.6	126.8	-6.6	119.5
684	K	42.9	Very low	38.5	Very low	283 Å²	283	175.5 Å²	175.5	100%	1.23	85%	0.848	S	S	*	*				-159.5	0	119.3	-117.2	170	-172.2	171.4	0	114.6

Retrieved 684 of 684 residues in 462.4 ms (Link to these results)

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