A0A087XU28_POEFO Loading...

Thyrotropin receptor

Receptor for the thyroid-stimulating hormone (TSH) or thyrotropin. Also acts as a receptor for the heterodimeric glycoprotein hormone (GPHA2:GPHB5) or thyrostimulin. The activity of this receptor is mediated by G proteins which activate adenylate cyclase. Plays a central role in controlling thyroid cell metabolism.

AlphaFold DB , UniProt , Accession A0A087XU28, Species POEFO (Poecilia formosa, Amazon molly), Gene TSHR, Length 698 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.5	Very low	35.2	Very low	245 Å²	245	144.4 Å²	144.4	100%	1.207	79%	0.792	S	S	*	*				0	71	0	-71.9	178.4	-168.3	0	0	109.7
2	V	36.9	Very low	34.9	Very low	131 Å²	131	148.2 Å²	148.2	79%	0.794	80%	0.795	S	S	*	*			trans	-120	5.7	-174.4	177.6	0	0	0	0	111.3
3	A	33.7	Very low	34.6	Very low	85 Å²	85	151.6 Å²	151.6	70%	0.702	81%	0.807	S	S	*	*	S	Bend	trans	-100.5	-0	-176	0	0	0	0	0	115.5
4	N	38.1	Very low	34	Very low	151 Å²	151	148.3 Å²	148.3	81%	0.807	81%	0.811	S	S	*	*	S	Bend	trans	-111.4	5.4	179	-80.2	-1.7	0	0	0	114.3
5	A	35.8	Very low	33.7	Very low	74 Å²	74	145.5 Å²	145.5	61%	0.612	82%	0.816	S	S	*	*	S	Bend	trans	-91.7	-5.9	177.8	0	0	0	0	0	113.9
6	L	35.3	Very low	33.3	Very low	139 Å²	139	142.1 Å²	142.1	73%	0.728	81%	0.812	S	S	*	*	S	Bend	trans	-96.4	-5.5	-174.8	-98.7	150.5	0	0	0	115
7	I	36.7	Very low	32.9	Very low	134 Å²	134	140.5 Å²	140.5	69%	0.687	81%	0.812	S	S	*	*	S	Bend	trans	-97.4	-17.8	179.9	-65.3	174.9	0	0	0	112.3
8	M	32.9	Very low	32.5	Very low	162 Å²	162	142.3 Å²	142.3	80%	0.798	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-3.4	178.4	-93.4	-77.1	-131.7	0	0	114.6
9	L	31.8	Very low	32.5	Very low	151 Å²	151	141.2 Å²	141.2	79%	0.791	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-1.3	-179.8	-122.1	110.5	0	0	0	114.8
10	M	31.9	Very low	32.1	Very low	171 Å²	171	136.9 Å²	136.9	84%	0.842	80%	0.8	S	S	*	*	S	Bend	trans	-94.2	-0.9	176.9	-78.3	-72.1	-145.3	0	0	114.3
11	I	31.8	Very low	31.9	Very low	145 Å²	145	135.9 Å²	135.9	74%	0.744	80%	0.8	S	S	*	*	S	Bend	trans	-105.6	8.6	-175.3	-62.5	178.3	0	0	0	112.7
12	K	31.1	Very low	31.1	Very low	190 Å²	190	133.3 Å²	133.3	83%	0.826	79%	0.785	S	S	*	*	S	Bend	trans	-137.9	42.2	-174.7	-114.3	-171.3	-175.2	-175.1	0	115.9
13	M	31.1	Very low	30.7	Very low	193 Å²	193	135.2 Å²	135.2	95%	0.951	79%	0.788	S	S	*	*	S	Bend	trans	-154.2	67.3	162	-81	-148.6	-73	0	0	113.3
14	A	26.3	Very low	30.3	Very low	105 Å²	105	139.2 Å²	139.2	87%	0.868	80%	0.797	S	S	*	*			trans	-155.4	72.6	160.8	0	0	0	0	0	110.9
15	A	29.2	Very low	29.7	Very low	107 Å²	107	139 Å²	139	88%	0.884	80%	0.796	S	S	*	*			trans	-129.1	82.8	162.1	0	0	0	0	0	107.5
16	A	28.1	Very low	29.2	Very low	91 Å²	91	145.7 Å²	145.7	75%	0.752	81%	0.811	S	S	*	*			trans	-156.1	128.9	165.3	0	0	0	0	0	110
17	S	25.8	Very low	28.8	Very low	115 Å²	115	150 Å²	150	80%	0.804	82%	0.817	S	S	*	*			trans	60.7	115.9	159.5	64.3	0	0	0	0	119.9
18	M	26	Very low	28.2	Very low	172 Å²	172	147.4 Å²	147.4	85%	0.847	82%	0.824	S	S	*	*			trans	-106.8	143.5	145.4	-79.1	-153.2	77	0	0	109.7
19	P	32.8	Very low	28	Very low	121 Å²	121	150.5 Å²	150.5	79%	0.786	83%	0.829	S	S	*	*			trans	-134.9	161.5	130.1	37	-24.8	0	0	0	113.7
20	G	23.6	Very low	27.8	Very low	55 Å²	55	146.6 Å²	146.6	57%	0.567	83%	0.825	S	S	*	*			trans	92.8	115.6	164.3	0	0	0	0	0	114.6
21	S	29.3	Very low	27.5	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	83%	0.828	S	S	*	*				80.9	108.1	58.1	72.7	0	0	0	0	114.4
22	E	25.2	Very low	27.3	Very low	191 Å²	191	140.4 Å²	140.4	89%	0.893	83%	0.83	S	S	*	*			trans	167	103.1	147.7	-98.9	174	166.7	0	0	106.5
23	M	28.6	Very low	26.9	Very low	171 Å²	171	137.2 Å²	137.2	84%	0.842	83%	0.832	S	S	*	*				46.1	98.6	86.7	-150.3	-179.4	78.6	0	0	113.3
24	D	23.9	Very low	27.3	Very low	169 Å²	169	133.8 Å²	133.8	90%	0.904	82%	0.823	S	S	*	*			trans	-140.6	128.7	154.5	-127.3	-19	0	0	0	111.8
25	L	27.1	Very low	27.5	Very low	147 Å²	147	138 Å²	138	77%	0.77	83%	0.826	S	S	*	*			trans	-105.9	121.1	-166.1	-160.8	110.5	0	0	0	106.9
26	K	25.3	Very low	27.5	Very low	214 Å²	214	141.4 Å²	141.4	93%	0.93	83%	0.828	S	S	*	*			trans	-144.7	115.7	160.3	-113.3	172.5	-171.7	175.5	0	112.4
27	R	25.8	Very low	27.9	Very low	229 Å²	229	144 Å²	144	86%	0.864	83%	0.827	S	S	*	*			trans	-93.5	136.1	174.4	-154.9	178.7	-167.1	175.6	2.8	107.5
28	G	25.5	Very low	28.6	Very low	81 Å²	81	145.6 Å²	145.6	84%	0.835	82%	0.822	S	S	*	*			trans	-155.9	118.4	170.5	0	0	0	0	0	110.1
29	Y	28.2	Very low	29.8	Very low	227 Å²	227	144.7 Å²	144.7	89%	0.89	82%	0.821	S	S	*	*			trans	-101.9	151.1	-175.8	-122.3	-96.9	0	0	0	110.5
30	G	26.2	Very low	31.6	Very low	69 Å²	69	143 Å²	143	71%	0.711	81%	0.812	S	S	*	*			trans	147.3	89.7	166.8	0	0	0	0	0	111.7
31	A	27.3	Very low	34.6	Very low	109 Å²	109	142.5 Å²	142.5	90%	0.901	80%	0.799	S	S	*	*				89.8	97.3	82.4	0	0	0	0	0	114.8
32	G	25.8	Very low	37.5	Very low	77 Å²	77	141.1 Å²	141.1	79%	0.794	78%	0.78	S	S	*	*			trans	90.9	89.8	134.7	0	0	0	0	0	121.5
33	S	23.9	Very low	40.7	Very low	123 Å²	123	135.2 Å²	135.2	86%	0.86	76%	0.759	S	S	*	*				-177.5	150.2	118.8	38	0	0	0	0	111.5
34	P	39.2	Very low	43.6	Very low	120 Å²	120	127.3 Å²	127.3	78%	0.779	72%	0.721	S	S	*	*			trans	-122.5	121.9	-146.4	33.9	-15.9	0	0	0	114
35	E	30.1	Very low	46.6	Very low	195 Å²	195	120.4 Å²	120.4	91%	0.911	69%	0.689	S	S	*	*			trans	-178.6	77.3	152.9	-107.8	174.1	-164.9	0	0	110
36	L	29.1	Very low	49	Very low	178 Å²	178	121 Å²	121	93%	0.932	69%	0.686	S	S	*	*			trans	-149.1	68.3	170.4	-112.4	148.6	0	0	0	107.3
37	I	36.4	Very low	51.5	Low	145 Å²	145	113 Å²	113	74%	0.744	67%	0.665	S	S	*	*			trans	-111.2	115.3	173.6	-64.4	-178.2	0	0	0	108.7
38	Q	41.9	Very low	54.5	Low	148 Å²	148	104.2 Å²	104.2	69%	0.692	63%	0.634	S	S	*	*			trans	79.2	90.3	150.4	-78.1	160.7	-34.2	0	0	120.4
39	N	49.9	Very low	57.6	Low	154 Å²	154	109.7 Å²	109.7	82%	0.824	63%	0.63	S	S	*	*			trans	-126.9	33.1	147.9	-104.5	-5.6	0	0	0	111.2
40	S	71.7	Confident	60.4	Low	85 Å²	85	102 Å²	102	59%	0.594	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-98.8	128.8	175.8	51.3	0	0	0	0	110.7
41	C	85.8	Confident	63.4	Low	45 Å²	45	99.8 Å²	99.8	30%	0.304	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-65.9	145.3	169.9	-65.5	0	0	0	0	110.3	S43 C61	C41-S43 PolarHBondContact O-N 3.44Å; C41-C61 HydrophobicContact CB-CB 3.72Å; C41-C61 WeakPolarHBondContact CB-SG 3.32Å; C41-C61 WeakPolarHBondContact SG-CB 3.46Å; C41-C61 CovalentContact SG-SG 2.02Å; C41-C61 PolarHBondContact SG-SG 3.07Å
42	H	91.3	Very high	66.2	Low	86 Å²	86	96.7 Å²	96.7	40%	0.398	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	121.6	171.1	-174.2	72.8	0	0	0	108.6	T59 C61 L62 E63	H42-T59 HydrophobicContact CB-CG2 3.74Å; H42-C61 PolarHBondContact N-O 3.02Å; H42-L62 HydrophobicContact CB-CD1 4.38Å; H42-L62 CarbonylContact O-C 3.6Å; H42-L62 WeakPolarHBondContact O-CA 3.48Å; H42-L62 WeakPolarHBondContact O-CD1 3.32Å; H42-E63 PolarHBondContact O-N 2.8Å
43	S	90.8	Very high	68.9	Low	67 Å²	67	99 Å²	99	47%	0.469	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	133	-175	-158.5	0	0	0	0	111.4	C41 E63	C41-S43 PolarHBondContact O-N 3.44Å; S43-E63 CarbonylContact C-O 3.55Å; S43-E63 WeakPolarHBondContact CA-O 3.24Å; S43-E63 PolarHBondContact OG-OE2 3.48Å
44	V	90.1	Very high	71.6	Confident	6 Å²	6	100.6 Å²	100.6	4%	0.036	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	113.2	179.9	175.9	0	0	0	0	106.9	I48 P52 I55 L62 E63 V64 K65 T67	V44-I48 HydrophobicContact CB-CD1 4.49Å; V44-I48 HydrophobicContact CG1-CD1 3.43Å; V44-I48 VanDerWaalsContact CG1-CD1 3.43Å; V44-I48 HydrophobicContact CG1-CG2 4.18Å; V44-P52 HydrophobicContact CG1-CG 4.39Å; V44-I55 HydrophobicContact CG2-CD1 4.03Å; V44-L62 HydrophobicContact CG2-CD1 3.72Å; V44-E63 PolarHBondContact N-O 2.97Å; V44-V64 WeakPolarHBondContact O-CA 3.35Å; V44-K65 PolarHBondContact O-N 3.01Å; V44-T67 HydrophobicContact CG1-CG2 4.47Å; V44-T67 WeakPolarHBondContact O-CG2 3.43Å
45	G	87.4	Confident	73.9	Confident	23 Å²	23	95.5 Å²	95.5	24%	0.237	52%	0.521	C	S	.	.			trans	-153	176.9	-176.5	0	0	0	0	0	114.5	I48 K65	G45-I48 WeakPolarHBondContact O-CD1 3.4Å; G45-K65 WeakPolarHBondContact CA-O 3.26Å
46	F	77.6	Confident	76.7	Confident	160 Å²	160	89.5 Å²	89.5	70%	0.702	50%	0.501	S	S	*	.	S	Bend	trans	47.9	114.1	175.9	-64.8	-80.1	0	0	0	116.8	I48 Q66	F46-I48 PolarHBondContact O-N 3.11Å; F46-Q66 WeakPolarHBondContact CA-O 3.42Å; F46-Q66 PolarHBondContact N-O 3.43Å
47	G	78.4	Confident	79.4	Confident	47 Å²	47	84.1 Å²	84.1	49%	0.485	48%	0.478	S	S	.	.	S	Bend	trans	73.6	-9.6	171.3	0	0	0	0	0	115.9	R49	G47-R49 PolarHBondContact O-N 3.36Å
48	I	88.9	Confident	81.9	Confident	44 Å²	44	81.7 Å²	81.7	23%	0.226	47%	0.467	C	S	.	.			trans	-71.4	125.7	177.2	-64.5	179.5	0	0	0	110.5	V44 G45 F46 A50 P52 Q68 I69	V44-I48 HydrophobicContact CB-CD1 4.49Å; V44-I48 HydrophobicContact CG1-CD1 3.43Å; V44-I48 VanDerWaalsContact CG1-CD1 3.43Å; V44-I48 HydrophobicContact CG1-CG2 4.18Å; G45-I48 WeakPolarHBondContact O-CD1 3.4Å; F46-I48 PolarHBondContact O-N 3.11Å; I48-A50 WeakPolarHBondContact CG2-O 3.5Å; I48-P52 HydrophobicContact CD1-CG 4.2Å; I48-P52 HydrophobicContact CG2-CG 4.33Å; I48-Q68 CarbonylContact O-C 3.04Å; I48-Q68 WeakPolarHBondContact O-CA 3.26Å; I48-Q68 PolarHBondContact O-N 3.16Å; I48-I69 PolarHBondContact O-N 3.49Å
49	R	88.8	Confident	84.4	Confident	196 Å²	196	75.4 Å²	75.4	74%	0.74	44%	0.438	S	S	*	.			trans	-101.2	-14.4	-179.5	-63.6	-176	179.3	-167	1.5	114.5	G47 Q68	G47-R49 PolarHBondContact O-N 3.36Å; R49-Q68 HydrophobicContact CG-CB 4.17Å
50	A	88.5	Confident	86.5	Confident	64 Å²	64	72.9 Å²	72.9	53%	0.529	42%	0.417	S	S	.	.	S	Bend	trans	-151.5	155.7	176	0	0	0	0	0	109.8	I48 P52	I48-A50 WeakPolarHBondContact CG2-O 3.5Å; A50-P52 WeakPolarHBondContact O-CD 3.38Å
51	I	89.4	Confident	87.6	Confident	24 Å²	24	68.9 Å²	68.9	12%	0.123	39%	0.389	C	S	.	.			trans	-60.8	122.8	177.9	-58.3	-61.4	0	0	0	109.6	I55 V64 I69 F77	I51-I55 HydrophobicContact CG2-CD1 3.9Å; I51-V64 HydrophobicContact CD1-CG1 4.13Å; I51-V64 HydrophobicContact CD1-CG2 3.9Å; I51-I69 HydrophobicContact CD1-CD1 3.58Å; I51-I69 HydrophobicContact CG1-CD1 4.27Å; I51-F77 HydrophobicContact CD1-CE1 3.73Å; I51-F77 HydrophobicContact CD1-CZ 3.91Å; I51-F77 HydrophobicContact CG1-CE1 3.82Å; I51-F77 HydrophobicContact CG1-CZ 3.96Å; I51-F77 HydrophobicContact CG2-CD1 4.16Å; I51-F77 HydrophobicContact CG2-CE1 4.03Å
52	P	85.8	Confident	88.1	Confident	44 Å²	44	66.8 Å²	66.8	29%	0.286	38%	0.375	S	S	.	.			trans	-63.6	135.6	-177.9	-23.7	33.4	0	0	0	112.3	V44 I48 A50 N54 I55	V44-P52 HydrophobicContact CG1-CG 4.39Å; I48-P52 HydrophobicContact CD1-CG 4.2Å; I48-P52 HydrophobicContact CG2-CG 4.33Å; A50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-N54 PolarHBondContact O-N 3.15Å; P52-I55 HydrophobicContact CB-CG1 4.42Å; P52-I55 WeakPolarHBondContact O-CG1 3.46Å
53	P	81.1	Confident	88.3	Confident	125 Å²	125	64.6 Å²	64.6	81%	0.812	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.9	178.5	28.5	-34.8	0	0	0	113.3	I55	P53-I55 VanDerWaalsContact C-N 3.31Å; P53-I55 PolarHBondContact O-N 3.24Å
54	N	80.7	Confident	88.5	Confident	156 Å²	156	61.5 Å²	61.5	83%	0.834	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	17.5	-172.6	-151.1	20.4	0	0	0	114.1	P52	P52-N54 PolarHBondContact O-N 3.15Å
55	I	88.4	Confident	88.8	Confident	14 Å²	14	64.2 Å²	64.2	7%	0.072	35%	0.354	C	S	.	.	S	Bend	trans	-72.8	133.5	174.3	-60	169	0	0	0	108.3	V44 I51 P52 P53 S57 L62 L80	V44-I55 HydrophobicContact CG2-CD1 4.03Å; I51-I55 HydrophobicContact CG2-CD1 3.9Å; P52-I55 HydrophobicContact CB-CG1 4.42Å; P52-I55 WeakPolarHBondContact O-CG1 3.46Å; P53-I55 VanDerWaalsContact C-N 3.31Å; P53-I55 PolarHBondContact O-N 3.24Å; I55-S57 PolarHBondContact O-N 2.99Å; I55-L62 HydrophobicContact CD1-CD1 4.23Å; I55-L80 HydrophobicContact CB-CD2 4.01Å; I55-L80 HydrophobicContact CG2-CD1 4.29Å; I55-L80 HydrophobicContact CG2-CD2 3.61Å
56	S	88.4	Confident	89	Confident	68 Å²	68	67 Å²	67	48%	0.476	36%	0.361	S	S	.	.			trans	-56.7	132.6	178.9	-179.4	0	0	0	0	111.6	N58 T59 L80	S56-N58 PolarHBondContact O-N 3.06Å; S56-N58 PolarHBondContact OG-N 2.75Å; S56-T59 VanDerWaalsContact O-CB 3.27Å; S56-T59 WeakPolarHBondContact O-CB 3.42Å; S56-T59 PolarHBondContact O-N 2.9Å; S56-T59 VanDerWaalsContact O-N 3.08Å; S56-T59 PolarHBondContact O-OG1 3.09Å; S56-L80 WeakPolarHBondContact O-CD2 3.27Å
57	S	87.2	Confident	89.7	Confident	65 Å²	65	59.8 Å²	59.8	46%	0.455	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.8	174.8	55.7	0	0	0	0	113.3	I55 T59 S79	I55-S57 PolarHBondContact O-N 2.99Å; S57-T59 VanDerWaalsContact C-N 3.31Å; S57-S79 WeakPolarHBondContact CB-O 3.45Å
58	N	88.9	Confident	90.4	Very high	95 Å²	95	61.7 Å²	61.7	51%	0.508	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.4	174.6	-76.6	-41.6	0	0	0	114.1	S56 W60 R82	S56-N58 PolarHBondContact O-N 3.06Å; S56-N58 PolarHBondContact OG-N 2.75Å; N58-W60 PolarHBondContact O-N 3.33Å; N58-R82 WeakPolarHBondContact OD1-CD 3.39Å; N58-R82 PolarHBondContact OD1-NH1 2.98Å
59	T	92.7	Very high	90.7	Very high	15 Å²	15	59.8 Å²	59.8	9%	0.092	32%	0.317	C	S	.	.			trans	-63.2	119.2	177.7	-62.3	0	0	0	0	110.7	H42 S56 S57 C61 L62 R82 L83	H42-T59 HydrophobicContact CB-CG2 3.74Å; S56-T59 VanDerWaalsContact O-CB 3.27Å; S56-T59 WeakPolarHBondContact O-CB 3.42Å; S56-T59 PolarHBondContact O-N 2.9Å; S56-T59 VanDerWaalsContact O-N 3.08Å; S56-T59 PolarHBondContact O-OG1 3.09Å; S57-T59 VanDerWaalsContact C-N 3.31Å; T59-C61 VanDerWaalsContact CG2-O 3.24Å; T59-C61 WeakPolarHBondContact CG2-O 3.25Å; T59-L62 HydrophobicContact CG2-CB 4.48Å; T59-R82 CarbonylContact O-C 3.48Å; T59-L83 HydrophobicContact CG2-CD1 4.28Å; T59-L83 WeakPolarHBondContact O-CA 3.46Å; T59-L83 PolarHBondContact O-N 3.1Å
60	W	94.3	Very high	91	Very high	101 Å²	101	54 Å²	54	38%	0.383	30%	0.303	S	S	.	.	S	Bend	trans	-95	-24.8	177.8	67.3	-91.3	0	0	0	113.1	N58 R82 T84 K85	N58-W60 PolarHBondContact O-N 3.33Å; W60-R82 WeakPolarHBondContact CA-O 3.36Å; W60-T84 PolarHBondContact O-N 3.44Å; W60-T84 PolarHBondContact O-OG1 3.39Å; W60-K85 PolarHBondContact O-N 2.98Å; W60-K85 VanDerWaalsContact O-N 3.16Å
61	C	96	Very high	91.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.3	174.3	-177.8	0	0	0	0	111.4	C41 H42 T59 K85	C41-C61 HydrophobicContact CB-CB 3.72Å; C41-C61 WeakPolarHBondContact CB-SG 3.32Å; C41-C61 WeakPolarHBondContact SG-CB 3.46Å; C41-C61 CovalentContact SG-SG 2.02Å; C41-C61 PolarHBondContact SG-SG 3.07Å; H42-C61 PolarHBondContact N-O 3.02Å; T59-C61 VanDerWaalsContact CG2-O 3.24Å; T59-C61 WeakPolarHBondContact CG2-O 3.25Å; C61-K85 WeakPolarHBondContact CA-O 3.38Å; C61-K85 HydrophobicContact CB-CB 4.27Å
62	L	95.9	Very high	91.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.2	179.7	-177.6	66	0	0	0	110.8	H42 V44 I55 T59 V64 F77 L80 L83 K85 L86 F87	H42-L62 HydrophobicContact CB-CD1 4.38Å; H42-L62 CarbonylContact O-C 3.6Å; H42-L62 WeakPolarHBondContact O-CA 3.48Å; H42-L62 WeakPolarHBondContact O-CD1 3.32Å; V44-L62 HydrophobicContact CG2-CD1 3.72Å; I55-L62 HydrophobicContact CD1-CD1 4.23Å; T59-L62 HydrophobicContact CG2-CB 4.48Å; L62-V64 HydrophobicContact CD2-CG2 4.24Å; L62-V64 HydrophobicContact CG-CG2 4.23Å; L62-F77 HydrophobicContact CD2-CD1 3.6Å; L62-F77 HydrophobicContact CD2-CE1 3.52Å; L62-L80 HydrophobicContact CD2-CD1 3.77Å; L62-L83 HydrophobicContact CB-CD1 3.58Å; L62-L83 HydrophobicContact CB-CD2 4.41Å; L62-K85 PolarHBondContact N-O 3.44Å; L62-L86 HydrophobicContact CB-CD1 3.97Å; L62-L86 HydrophobicContact CD2-CD1 3.87Å; L62-L86 HydrophobicContact CG-CD1 4.02Å; L62-L86 WeakPolarHBondContact O-CA 3.49Å; L62-F87 PolarHBondContact O-N 3.2Å
63	E	96.1	Very high	92	Very high	41 Å²	41	57.3 Å²	57.3	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.4	172.4	-175.4	-173.4	-158	0	0	109.5	H42 S43 V44 K65 F87 L89	H42-E63 PolarHBondContact O-N 2.8Å; S43-E63 CarbonylContact C-O 3.55Å; S43-E63 WeakPolarHBondContact CA-O 3.24Å; S43-E63 PolarHBondContact OG-OE2 3.48Å; V44-E63 PolarHBondContact N-O 2.97Å; E63-K65 HydrophobicContact CG-CB 3.96Å; E63-K65 HydrophobicContact CG-CD 4.47Å; E63-K65 WeakPolarHBondContact OE1-CD 3.32Å; E63-K65 IonicContact OE1-NZ 3.9Å; E63-F87 CarbonylContact C-O 3.59Å; E63-F87 WeakPolarHBondContact CA-O 3.29Å; E63-F87 HydrophobicContact CB-CB 4.27Å; E63-F87 HydrophobicContact CG-CB 4.09Å; E63-L89 HydrophobicContact CG-CD1 4.48Å
64	V	95	Very high	92.4	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	100.4	174.7	-177.5	0	0	0	0	107.5	V44 I51 L62 T67 I69 F77 L86 F87 I88 L89 N91	V44-V64 WeakPolarHBondContact O-CA 3.35Å; I51-V64 HydrophobicContact CD1-CG1 4.13Å; I51-V64 HydrophobicContact CD1-CG2 3.9Å; L62-V64 HydrophobicContact CD2-CG2 4.24Å; L62-V64 HydrophobicContact CG-CG2 4.23Å; V64-T67 HydrophobicContact CG1-CG2 3.78Å; V64-I69 HydrophobicContact CG1-CD1 4.07Å; V64-F77 HydrophobicContact CG2-CE1 4.24Å; V64-F77 HydrophobicContact CG2-CZ 4.43Å; V64-L86 HydrophobicContact CG2-CD1 4.36Å; V64-F87 PolarHBondContact N-O 3.27Å; V64-I88 HydrophobicContact CB-CG1 4.39Å; V64-I88 WeakPolarHBondContact O-CA 3.41Å; V64-L89 PolarHBondContact O-N 3.21Å; V64-N91 PolarHBondContact O-ND2 3.41Å
65	K	94.6	Very high	92.6	Very high	62 Å²	62	57.5 Å²	57.5	27%	0.27	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.2	-167.9	176.6	171.4	174.6	179	0	113.3	V44 G45 E63 T67 L89 Q90	V44-K65 PolarHBondContact O-N 3.01Å; G45-K65 WeakPolarHBondContact CA-O 3.26Å; E63-K65 HydrophobicContact CG-CB 3.96Å; E63-K65 HydrophobicContact CG-CD 4.47Å; E63-K65 WeakPolarHBondContact OE1-CD 3.32Å; E63-K65 IonicContact OE1-NZ 3.9Å; K65-T67 PolarHBondContact O-N 3.36Å; K65-L89 WeakPolarHBondContact CA-O 3.41Å; K65-L89 HydrophobicContact CG-CB 4.46Å; K65-Q90 HydrophobicContact CG-CB 4.49Å
66	Q	91.9	Very high	92.5	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.383	29%	0.289	S	S	.	.	S	Bend	trans	53.2	41.3	177.4	-64.3	173.2	-32.6	0	0	112.7	F46 L89 Q90 N91	F46-Q66 WeakPolarHBondContact CA-O 3.42Å; F46-Q66 PolarHBondContact N-O 3.43Å; Q66-L89 PolarHBondContact N-O 3.44Å; Q66-Q90 HydrophobicContact CG-CB 4.21Å; Q66-N91 PolarHBondContact N-OD1 2.83Å
67	T	93.4	Very high	92.6	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.049	27%	0.267	C	S	.	.			trans	-90.5	170.6	178.1	69	0	0	0	0	112.4	V44 V64 K65 I69 N91	V44-T67 HydrophobicContact CG1-CG2 4.47Å; V44-T67 WeakPolarHBondContact O-CG2 3.43Å; V64-T67 HydrophobicContact CG1-CG2 3.78Å; K65-T67 PolarHBondContact O-N 3.36Å; T67-I69 HydrophobicContact CG2-CD1 4.16Å; T67-I69 WeakPolarHBondContact OG1-CG1 3.26Å; T67-I69 PolarHBondContact OG1-N 3.16Å; T67-N91 WeakPolarHBondContact CB-OD1 3.41Å; T67-N91 PolarHBondContact N-OD1 3.31Å; T67-N91 PolarHBondContact OG1-OD1 2.99Å
68	Q	93	Very high	92.5	Very high	87 Å²	87	53.8 Å²	53.8	41%	0.407	26%	0.259	S	S	.	.			trans	-101.3	27.4	168.8	-63.3	-175.9	0.5	0	0	111.9	I48 R49 I93	I48-Q68 CarbonylContact O-C 3.04Å; I48-Q68 WeakPolarHBondContact O-CA 3.26Å; I48-Q68 PolarHBondContact O-N 3.16Å; R49-Q68 HydrophobicContact CG-CB 4.17Å; Q68-I93 VanDerWaalsContact CA-CD1 3.48Å; Q68-I93 HydrophobicContact CB-CD1 3.88Å; Q68-I93 HydrophobicContact CG-CD1 4.37Å
69	I	94.4	Very high	92.4	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	25%	0.254	C	S	.	.			trans	-78.2	123.9	176.5	-62.1	170.2	0	0	0	108.5	I48 I51 V64 T67 E71 I72 L94	I48-I69 PolarHBondContact O-N 3.49Å; I51-I69 HydrophobicContact CD1-CD1 3.58Å; I51-I69 HydrophobicContact CG1-CD1 4.27Å; V64-I69 HydrophobicContact CG1-CD1 4.07Å; T67-I69 HydrophobicContact CG2-CD1 4.16Å; T67-I69 WeakPolarHBondContact OG1-CG1 3.26Å; T67-I69 PolarHBondContact OG1-N 3.16Å; I69-E71 VanDerWaalsContact CG2-O 3.29Å; I69-E71 WeakPolarHBondContact CG2-O 3.41Å; I69-I72 HydrophobicContact CG2-CG1 4.31Å; I69-L94 HydrophobicContact CG2-CD1 4.15Å; I69-L94 WeakPolarHBondContact O-CA 3.19Å; I69-L94 PolarHBondContact O-N 3.12Å
70	T	94.8	Very high	92.4	Very high	74 Å²	74	51.5 Å²	51.5	45%	0.454	25%	0.251	S	S	.	.	S	Bend	trans	-90.8	-30.6	175.4	55.1	0	0	0	0	112.6	I93 Q95 S96	T70-I93 HydrophobicContact CG2-CD1 4.2Å; T70-I93 HydrophobicContact CG2-CG1 4.46Å; T70-Q95 PolarHBondContact O-N 3.26Å; T70-S96 PolarHBondContact O-N 3.19Å
71	E	96.2	Very high	92.2	Very high	68 Å²	68	51.6 Å²	51.6	32%	0.318	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	131.8	175.3	175.5	167.5	-173.9	0	0	110.7	I69 Q73 S96 G98 K123	I69-E71 VanDerWaalsContact CG2-O 3.29Å; I69-E71 WeakPolarHBondContact CG2-O 3.41Å; E71-Q73 PolarHBondContact O-N 3.39Å; E71-S96 WeakPolarHBondContact CA-O 3.41Å; E71-S96 WeakPolarHBondContact CG-OG 3.39Å; E71-G98 WeakPolarHBondContact OE1-CA 3.5Å; E71-K123 VanDerWaalsContact CD-NZ 3.28Å; E71-K123 IonicContact OE1-NZ 3.97Å; E71-K123 PolarHBondContact OE1-NZ 2.99Å; E71-K123 IonicContact OE2-NZ 3.61Å; E71-K123 PolarHBondContact OE2-NZ 3.49Å
72	I	95.6	Very high	92.1	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	106.1	167	-63.8	175.3	0	0	0	107.4	I69 F77 I88 L94 S96 G98 A101	I69-I72 HydrophobicContact CG2-CG1 4.31Å; I72-F77 HydrophobicContact CG2-CE2 3.64Å; I72-F77 HydrophobicContact CG2-CZ 4.17Å; I72-I88 HydrophobicContact CD1-CD1 3.49Å; I72-I88 VanDerWaalsContact CD1-CD1 3.49Å; I72-I88 HydrophobicContact CD1-CG1 4.12Å; I72-I88 HydrophobicContact CD1-CG2 4.14Å; I72-L94 HydrophobicContact CD1-CD1 4.49Å; I72-L94 HydrophobicContact CD1-CD2 4.29Å; I72-L94 HydrophobicContact CG1-CD1 3.98Å; I72-S96 PolarHBondContact N-O 3.23Å; I72-G98 WeakPolarHBondContact O-CA 3.31Å; I72-G98 PolarHBondContact O-N 3.47Å; I72-A101 HydrophobicContact CG2-CB 3.9Å
73	Q	93.1	Very high	92.1	Very high	133 Å²	133	57.9 Å²	57.9	62%	0.621	28%	0.279	S	S	*	.			trans	-73.2	166.4	-175	-61.8	-169.4	8.4	0	0	112.6	E71 R75 S76	E71-Q73 PolarHBondContact O-N 3.39Å; Q73-R75 PolarHBondContact O-N 3.4Å; Q73-S76 VanDerWaalsContact C-OG 3.3Å; Q73-S76 PolarHBondContact N-OG 3.41Å; Q73-S76 VanDerWaalsContact N-OG 3.14Å; Q73-S76 WeakPolarHBondContact O-CB 3.13Å; Q73-S76 PolarHBondContact O-N 3.09Å; Q73-S76 PolarHBondContact O-OG 2.88Å
74	Q	90.6	Very high	92.2	Very high	120 Å²	120	57.9 Å²	57.9	56%	0.561	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	135.3	174.9	179.4	172.5	38.3	0	0	111.3	S76 A99	Q74-S76 PolarHBondContact O-N 3.41Å; Q74-S76 VanDerWaalsContact O-N 3.08Å; Q74-A99 WeakPolarHBondContact CA-O 3.14Å; Q74-A99 WeakPolarHBondContact CB-O 3.36Å
75	R	83.8	Confident	92.3	Very high	165 Å²	165	61.4 Å²	61.4	62%	0.623	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	24.7	175.3	-68.7	176.7	-179.5	175.6	0.7	114.5	Q73 F77 A78 S100 A103	Q73-R75 PolarHBondContact O-N 3.4Å; R75-F77 PolarHBondContact O-N 3.12Å; R75-A78 HydrophobicContact CB-CB 3.9Å; R75-A78 HydrophobicContact CG-CB 4.41Å; R75-A78 WeakPolarHBondContact O-CB 3.42Å; R75-A78 PolarHBondContact O-N 3.25Å; R75-S100 PolarHBondContact N-O 3.01Å; R75-A103 HydrophobicContact CG-CB 4.44Å
76	S	86.7	Confident	92.4	Very high	33 Å²	33	58.5 Å²	58.5	23%	0.231	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.7	179.7	-67.1	0	0	0	0	114	Q73 Q74	Q73-S76 VanDerWaalsContact C-OG 3.3Å; Q73-S76 PolarHBondContact N-OG 3.41Å; Q73-S76 VanDerWaalsContact N-OG 3.14Å; Q73-S76 WeakPolarHBondContact O-CB 3.13Å; Q73-S76 PolarHBondContact O-N 3.09Å; Q73-S76 PolarHBondContact O-OG 2.88Å; Q74-S76 PolarHBondContact O-N 3.41Å; Q74-S76 VanDerWaalsContact O-N 3.08Å
77	F	91.1	Very high	92.7	Very high	1 Å²	1	57 Å²	57	0%	0.004	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	9.7	-177.8	-53.2	-75.6	0	0	0	113.4	I51 L62 V64 I72 R75 S79 L80 L86 F102 L105	I51-F77 HydrophobicContact CD1-CE1 3.73Å; I51-F77 HydrophobicContact CD1-CZ 3.91Å; I51-F77 HydrophobicContact CG1-CE1 3.82Å; I51-F77 HydrophobicContact CG1-CZ 3.96Å; I51-F77 HydrophobicContact CG2-CD1 4.16Å; I51-F77 HydrophobicContact CG2-CE1 4.03Å; L62-F77 HydrophobicContact CD2-CD1 3.6Å; L62-F77 HydrophobicContact CD2-CE1 3.52Å; V64-F77 HydrophobicContact CG2-CE1 4.24Å; V64-F77 HydrophobicContact CG2-CZ 4.43Å; I72-F77 HydrophobicContact CG2-CE2 3.64Å; I72-F77 HydrophobicContact CG2-CZ 4.17Å; R75-F77 PolarHBondContact O-N 3.12Å; F77-S79 PolarHBondContact O-N 3.41Å; F77-L80 HydrophobicContact CB-CD1 4.31Å; F77-L80 HydrophobicContact CD1-CD1 4.14Å; F77-L80 WeakPolarHBondContact O-CB 3.26Å; F77-L80 PolarHBondContact O-N 3.25Å; F77-L86 HydrophobicContact CD2-CD2 4.4Å; F77-L86 HydrophobicContact CE1-CD1 4.22Å; F77-L86 HydrophobicContact CE2-CD2 4.09Å; F77-L86 HydrophobicContact CZ-CD1 4.35Å; F77-L86 HydrophobicContact CZ-CD2 4.22Å; F77-F102 AromaticContact CD2-CD1 3.86Å; F77-F102 HydrophobicContact CD2-CD1 3.86Å; F77-F102 HydrophobicContact CD2-CE1 4.23Å; F77-F102 AromaticContact CE2-CD1 3.83Å; F77-F102 HydrophobicContact CE2-CD1 3.83Å; F77-F102 AromaticContact CE2-CE1 3.7Å; F77-F102 HydrophobicContact CE2-CE1 3.7Å; F77-L105 HydrophobicContact CB-CD1 3.94Å; F77-L105 HydrophobicContact CB-CD2 4.08Å; F77-L105 HydrophobicContact CB-CG 4.4Å; F77-L105 VanDerWaalsContact O-CD2 3.31Å; F77-L105 WeakPolarHBondContact O-CD2 3.44Å
78	A	84.8	Confident	92.9	Very high	34 Å²	34	56.6 Å²	56.6	28%	0.281	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.3	-166.5	0	0	0	0	0	115.2	R75 L80 H81	R75-A78 HydrophobicContact CB-CB 3.9Å; R75-A78 HydrophobicContact CG-CB 4.41Å; R75-A78 WeakPolarHBondContact O-CB 3.42Å; R75-A78 PolarHBondContact O-N 3.25Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-H81 PolarHBondContact O-CE1 3.35Å; A78-H81 PolarHBondContact O-ND1 3.18Å
79	S	87.6	Confident	93	Very high	60 Å²	60	54.1 Å²	54.1	42%	0.42	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.6	175	55.4	0	0	0	0	114.2	S57 F77 H81	S57-S79 WeakPolarHBondContact CB-O 3.45Å; F77-S79 PolarHBondContact O-N 3.41Å; S79-H81 PolarHBondContact O-N 2.99Å
80	L	92.4	Very high	93.1	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	28%	0.276	C	S	.	.			trans	-95.7	60.6	-172	-52.9	-178.2	0	0	0	112.2	I55 S56 L62 F77 A78 R82 L83 L105	I55-L80 HydrophobicContact CB-CD2 4.01Å; I55-L80 HydrophobicContact CG2-CD1 4.29Å; I55-L80 HydrophobicContact CG2-CD2 3.61Å; S56-L80 WeakPolarHBondContact O-CD2 3.27Å; L62-L80 HydrophobicContact CD2-CD1 3.77Å; F77-L80 HydrophobicContact CB-CD1 4.31Å; F77-L80 HydrophobicContact CD1-CD1 4.14Å; F77-L80 WeakPolarHBondContact O-CB 3.26Å; F77-L80 PolarHBondContact O-N 3.25Å; A78-L80 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 3.32Å; L80-R82 VanDerWaalsContact O-N 3.1Å; L80-L83 HydrophobicContact CB-CB 4Å; L80-L83 HydrophobicContact CB-CD2 4.48Å; L80-L83 HydrophobicContact CD1-CD2 4.28Å; L80-L83 VanDerWaalsContact O-CB 3.25Å; L80-L83 WeakPolarHBondContact O-CB 3.45Å; L80-L83 PolarHBondContact O-N 3.15Å; L80-L83 VanDerWaalsContact O-N 3.07Å; L80-L105 HydrophobicContact CB-CD2 4.17Å; L80-L105 VanDerWaalsContact O-CD2 3.27Å; L80-L105 WeakPolarHBondContact O-CD2 3.06Å
81	H	90.1	Very high	93	Very high	104 Å²	104	53.3 Å²	53.3	48%	0.481	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.1	-172.9	-56.5	-55.1	0	0	0	115.2	A78 S79	A78-H81 PolarHBondContact O-CE1 3.35Å; A78-H81 PolarHBondContact O-ND1 3.18Å; S79-H81 PolarHBondContact O-N 2.99Å
82	R	93.9	Very high	92.8	Very high	134 Å²	134	54.6 Å²	54.6	51%	0.506	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	3.7	178.9	-59	-173.4	76.8	175.7	4	114	N58 T59 W60 L80 T84	N58-R82 WeakPolarHBondContact OD1-CD 3.39Å; N58-R82 PolarHBondContact OD1-NH1 2.98Å; T59-R82 CarbonylContact O-C 3.48Å; W60-R82 WeakPolarHBondContact CA-O 3.36Å; L80-R82 PolarHBondContact O-N 3.32Å; L80-R82 VanDerWaalsContact O-N 3.1Å; R82-T84 PolarHBondContact O-N 3.37Å
83	L	96	Very high	92.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.			trans	-67.8	120.3	-177.9	-170.9	70.2	0	0	0	110.1	T59 L62 L80 K85 L86 L105 Q107 L108	T59-L83 HydrophobicContact CG2-CD1 4.28Å; T59-L83 WeakPolarHBondContact O-CA 3.46Å; T59-L83 PolarHBondContact O-N 3.1Å; L62-L83 HydrophobicContact CB-CD1 3.58Å; L62-L83 HydrophobicContact CB-CD2 4.41Å; L80-L83 HydrophobicContact CB-CB 4Å; L80-L83 HydrophobicContact CB-CD2 4.48Å; L80-L83 HydrophobicContact CD1-CD2 4.28Å; L80-L83 VanDerWaalsContact O-CB 3.25Å; L80-L83 WeakPolarHBondContact O-CB 3.45Å; L80-L83 PolarHBondContact O-N 3.15Å; L80-L83 VanDerWaalsContact O-N 3.07Å; L83-K85 WeakPolarHBondContact CD1-O 3.45Å; L83-L86 HydrophobicContact CD2-CB 4.32Å; L83-L86 HydrophobicContact CD2-CD1 4.47Å; L83-L105 HydrophobicContact CB-CD2 4.33Å; L83-L105 HydrophobicContact CD2-CD1 4.21Å; L83-L105 HydrophobicContact CD2-CD2 4.37Å; L83-Q107 CarbonylContact O-C 3.27Å; L83-Q107 VanDerWaalsContact O-C 3.27Å; L83-L108 HydrophobicContact CD2-CD1 4.38Å; L83-L108 HydrophobicContact CG-CD1 4.35Å; L83-L108 VanDerWaalsContact O-CA 3.23Å; L83-L108 WeakPolarHBondContact O-CA 3.47Å; L83-L108 PolarHBondContact O-N 3.4Å; L83-L108 VanDerWaalsContact O-N 3.16Å
84	T	96.9	Very high	92.9	Very high	40 Å²	40	51.9 Å²	51.9	25%	0.245	25%	0.252	C	S	.	.			trans	-105.6	-31.3	177.3	60.6	0	0	0	0	112.3	W60 R82 Q107 S109 D110	W60-T84 PolarHBondContact O-N 3.44Å; W60-T84 PolarHBondContact O-OG1 3.39Å; R82-T84 PolarHBondContact O-N 3.37Å; T84-Q107 WeakPolarHBondContact CA-O 3.41Å; T84-Q107 HydrophobicContact CG2-CB 4.37Å; T84-S109 PolarHBondContact O-N 2.91Å; T84-D110 PolarHBondContact O-N 3.38Å
85	K	97.6	Very high	93.2	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.3	-178.6	-61	-168.8	176.7	-173.6	0	112.3	W60 C61 L62 L83 F87 D110	W60-K85 PolarHBondContact O-N 2.98Å; W60-K85 VanDerWaalsContact O-N 3.16Å; C61-K85 WeakPolarHBondContact CA-O 3.38Å; C61-K85 HydrophobicContact CB-CB 4.27Å; L62-K85 PolarHBondContact N-O 3.44Å; L83-K85 WeakPolarHBondContact CD1-O 3.45Å; K85-F87 HydrophobicContact CB-CE2 3.99Å; K85-D110 WeakPolarHBondContact CA-O 3.08Å; K85-D110 VanDerWaalsContact CE-OD2 3.25Å; K85-D110 WeakPolarHBondContact CE-OD2 3.34Å; K85-D110 HydrophobicContact CG-CB 4.2Å; K85-D110 WeakPolarHBondContact CG-OD2 3.47Å
86	L	97.4	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.9	176.9	-179.9	59.7	0	0	0	111.1	L62 V64 F77 L83 I88 F102 L108 D110 V111 Y112	L62-L86 HydrophobicContact CB-CD1 3.97Å; L62-L86 HydrophobicContact CD2-CD1 3.87Å; L62-L86 HydrophobicContact CG-CD1 4.02Å; L62-L86 WeakPolarHBondContact O-CA 3.49Å; V64-L86 HydrophobicContact CG2-CD1 4.36Å; F77-L86 HydrophobicContact CD2-CD2 4.4Å; F77-L86 HydrophobicContact CE1-CD1 4.22Å; F77-L86 HydrophobicContact CE2-CD2 4.09Å; F77-L86 HydrophobicContact CZ-CD1 4.35Å; F77-L86 HydrophobicContact CZ-CD2 4.22Å; L83-L86 HydrophobicContact CD2-CB 4.32Å; L83-L86 HydrophobicContact CD2-CD1 4.47Å; L86-I88 HydrophobicContact CD1-CG1 4.5Å; L86-I88 HydrophobicContact CD2-CD1 4.22Å; L86-I88 HydrophobicContact CG-CD1 4.39Å; L86-I88 HydrophobicContact CG-CG1 4.28Å; L86-F102 HydrophobicContact CD2-CD1 3.63Å; L86-F102 HydrophobicContact CD2-CE1 3.41Å; L86-F102 VanDerWaalsContact CD2-CE1 3.41Å; L86-F102 HydrophobicContact CD2-CZ 4.31Å; L86-L108 HydrophobicContact CB-CD1 4.05Å; L86-D110 PolarHBondContact N-O 2.95Å; L86-V111 HydrophobicContact CB-CG2 4.47Å; L86-V111 WeakPolarHBondContact O-CA 3.46Å; L86-Y112 PolarHBondContact O-N 3.02Å
87	F	97.6	Very high	94.4	Very high	51 Å²	51	42.4 Å²	42.4	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.5	174.9	-62.9	-91.5	0	0	0	109.5	L62 E63 V64 K85 L89 Y112	L62-F87 PolarHBondContact O-N 3.2Å; E63-F87 CarbonylContact C-O 3.59Å; E63-F87 WeakPolarHBondContact CA-O 3.29Å; E63-F87 HydrophobicContact CB-CB 4.27Å; E63-F87 HydrophobicContact CG-CB 4.09Å; V64-F87 PolarHBondContact N-O 3.27Å; K85-F87 HydrophobicContact CB-CE2 3.99Å; F87-L89 HydrophobicContact CB-CD1 3.95Å; F87-L89 HydrophobicContact CB-CG 4.02Å; F87-L89 HydrophobicContact CD1-CD1 4.25Å; F87-L89 HydrophobicContact CG-CD1 4.48Å; F87-Y112 CarbonylContact C-O 3.58Å; F87-Y112 WeakPolarHBondContact CA-O 3.33Å; F87-Y112 AromaticContact CD1-CD2 3.58Å; F87-Y112 HydrophobicContact CD1-CD2 3.58Å; F87-Y112 AromaticContact CD1-CG 3.81Å; F87-Y112 HydrophobicContact CD1-CG 3.81Å; F87-Y112 AromaticContact CE1-CD2 3.16Å; F87-Y112 HydrophobicContact CE1-CD2 3.16Å; F87-Y112 AromaticContact CE1-CE2 3.72Å; F87-Y112 HydrophobicContact CE1-CE2 3.72Å; F87-Y112 AromaticContact CE1-CG 3.65Å; F87-Y112 HydrophobicContact CE1-CG 3.65Å; F87-Y112 HydrophobicContact CE2-CD2 4.35Å; F87-Y112 HydrophobicContact CG-CD2 4.32Å; F87-Y112 AromaticContact CZ-CD2 3.61Å; F87-Y112 HydrophobicContact CZ-CD2 3.61Å; F87-Y112 AromaticContact CZ-CE2 3.81Å; F87-Y112 HydrophobicContact CZ-CE2 3.81Å
88	I	97.1	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	96.3	174.1	-60.8	161.1	0	0	0	106.7	V64 I72 L86 L94 F102 Y112 I113 S114 N116	V64-I88 HydrophobicContact CB-CG1 4.39Å; V64-I88 WeakPolarHBondContact O-CA 3.41Å; I72-I88 HydrophobicContact CD1-CD1 3.49Å; I72-I88 VanDerWaalsContact CD1-CD1 3.49Å; I72-I88 HydrophobicContact CD1-CG1 4.12Å; I72-I88 HydrophobicContact CD1-CG2 4.14Å; L86-I88 HydrophobicContact CD1-CG1 4.5Å; L86-I88 HydrophobicContact CD2-CD1 4.22Å; L86-I88 HydrophobicContact CG-CD1 4.39Å; L86-I88 HydrophobicContact CG-CG1 4.28Å; I88-L94 HydrophobicContact CG2-CD2 3.76Å; I88-F102 HydrophobicContact CD1-CE1 3.86Å; I88-F102 HydrophobicContact CD1-CZ 3.71Å; I88-Y112 PolarHBondContact N-O 3.5Å; I88-I113 HydrophobicContact CB-CG1 4.22Å; I88-I113 HydrophobicContact CD1-CG1 4.01Å; I88-I113 WeakPolarHBondContact O-CA 3.3Å; I88-S114 PolarHBondContact O-N 3.05Å; I88-N116 PolarHBondContact O-ND2 3.26Å
89	L	96.4	Very high	95.3	Very high	35 Å²	35	42.6 Å²	42.6	18%	0.183	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.4	-164.4	-56.1	177.2	0	0	0	112.1	E63 V64 K65 Q66 F87 N91 S114	E63-L89 HydrophobicContact CG-CD1 4.48Å; V64-L89 PolarHBondContact O-N 3.21Å; K65-L89 WeakPolarHBondContact CA-O 3.41Å; K65-L89 HydrophobicContact CG-CB 4.46Å; Q66-L89 PolarHBondContact N-O 3.44Å; F87-L89 HydrophobicContact CB-CD1 3.95Å; F87-L89 HydrophobicContact CB-CG 4.02Å; F87-L89 HydrophobicContact CD1-CD1 4.25Å; F87-L89 HydrophobicContact CG-CD1 4.48Å; L89-N91 PolarHBondContact N-ND2 3.02Å; L89-N91 PolarHBondContact O-N 3.11Å; L89-N91 PolarHBondContact O-ND2 3.32Å; L89-N91 VanDerWaalsContact O-ND2 3.12Å; L89-S114 VanDerWaalsContact CA-O 3.29Å; L89-S114 WeakPolarHBondContact CA-O 3.24Å
90	Q	94.8	Very high	95.7	Very high	60 Å²	60	41 Å²	41	28%	0.28	20%	0.203	S	C	.	.			trans	56	31.6	167.2	-58	-178.2	-22.3	0	0	114.3	K65 Q66 N92 S114 E115	K65-Q90 HydrophobicContact CG-CB 4.49Å; Q66-Q90 HydrophobicContact CG-CB 4.21Å; Q90-N92 PolarHBondContact O-N 3.38Å; Q90-S114 PolarHBondContact N-O 3.34Å; Q90-S114 VanDerWaalsContact N-O 3.08Å; Q90-E115 WeakPolarHBondContact CA-O 3.21Å; Q90-E115 HydrophobicContact CG-CB 3.9Å; Q90-E115 VanDerWaalsContact CG-OE2 3.31Å; Q90-E115 WeakPolarHBondContact CG-OE2 3.42Å; Q90-E115 PolarHBondContact NE2-OE2 2.99Å
91	N	93.7	Very high	95.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.202	C	C	.	.			trans	-89.5	93.1	175	-59.3	-76.4	0	0	0	109.1	V64 Q66 T67 L89 I93 L94 N116	V64-N91 PolarHBondContact O-ND2 3.41Å; Q66-N91 PolarHBondContact N-OD1 2.83Å; T67-N91 WeakPolarHBondContact CB-OD1 3.41Å; T67-N91 PolarHBondContact N-OD1 3.31Å; T67-N91 PolarHBondContact OG1-OD1 2.99Å; L89-N91 PolarHBondContact N-ND2 3.02Å; L89-N91 PolarHBondContact O-N 3.11Å; L89-N91 PolarHBondContact O-ND2 3.32Å; L89-N91 VanDerWaalsContact O-ND2 3.12Å; N91-I93 PolarHBondContact O-N 3.26Å; N91-L94 HydrophobicContact CB-CB 3.72Å; N91-L94 HydrophobicContact CB-CD2 4.39Å; N91-L94 PolarHBondContact O-N 3.42Å; N91-N116 VanDerWaalsContact CB-OD1 3.26Å; N91-N116 WeakPolarHBondContact CB-OD1 3.39Å; N91-N116 PolarHBondContact N-OD1 3.24Å; N91-N116 PolarHBondContact ND2-OD1 2.95Å
92	N	91.9	Very high	96.1	Very high	94 Å²	94	35.9 Å²	35.9	50%	0.503	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.6	-171.5	-69.9	-21.6	0	0	0	114.4	Q90 S118	Q90-N92 PolarHBondContact O-N 3.38Å; N92-S118 WeakPolarHBondContact O-CB 3.46Å; N92-S118 PolarHBondContact O-OG 3.08Å
93	I	94.6	Very high	96	Very high	76 Å²	76	30.6 Å²	30.6	39%	0.39	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	2.6	-179.8	72.2	171.4	0	0	0	113.8	Q68 T70 N91 Q95	Q68-I93 VanDerWaalsContact CA-CD1 3.48Å; Q68-I93 HydrophobicContact CB-CD1 3.88Å; Q68-I93 HydrophobicContact CG-CD1 4.37Å; T70-I93 HydrophobicContact CG2-CD1 4.2Å; T70-I93 HydrophobicContact CG2-CG1 4.46Å; N91-I93 PolarHBondContact O-N 3.26Å; I93-Q95 PolarHBondContact O-N 3.1Å
94	L	96.8	Very high	95.6	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	19%	0.187	C	C	.	.			trans	-68.2	114.1	175.9	177.7	67.2	0	0	0	108.7	I69 I72 I88 N91 S96 N116 S118 L119	I69-L94 HydrophobicContact CG2-CD1 4.15Å; I69-L94 WeakPolarHBondContact O-CA 3.19Å; I69-L94 PolarHBondContact O-N 3.12Å; I72-L94 HydrophobicContact CD1-CD1 4.49Å; I72-L94 HydrophobicContact CD1-CD2 4.29Å; I72-L94 HydrophobicContact CG1-CD1 3.98Å; I88-L94 HydrophobicContact CG2-CD2 3.76Å; N91-L94 HydrophobicContact CB-CB 3.72Å; N91-L94 HydrophobicContact CB-CD2 4.39Å; N91-L94 PolarHBondContact O-N 3.42Å; L94-S96 WeakPolarHBondContact CD1-O 3.13Å; L94-N116 HydrophobicContact CD2-CB 4.43Å; L94-S118 CarbonylContact O-C 3.59Å; L94-L119 HydrophobicContact CG-CD1 4.4Å; L94-L119 WeakPolarHBondContact O-CA 3.38Å; L94-L119 PolarHBondContact O-N 2.95Å
95	Q	97.1	Very high	95.5	Very high	109 Å²	109	31.1 Å²	31.1	51%	0.509	18%	0.176	S	C	.	.			trans	-95.9	-33.1	-177.1	-69.4	177.9	-3.4	0	0	112.8	T70 I93 S118 E120 T121	T70-Q95 PolarHBondContact O-N 3.26Å; I93-Q95 PolarHBondContact O-N 3.1Å; Q95-S118 WeakPolarHBondContact CA-O 3.31Å; Q95-E120 PolarHBondContact O-N 3.43Å; Q95-T121 PolarHBondContact O-N 3.39Å
96	S	97.7	Very high	95.3	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.2	-179.1	67.4	0	0	0	0	114.8	T70 E71 I72 L94 T121	T70-S96 PolarHBondContact O-N 3.19Å; E71-S96 WeakPolarHBondContact CA-O 3.41Å; E71-S96 WeakPolarHBondContact CG-OG 3.39Å; I72-S96 PolarHBondContact N-O 3.23Å; L94-S96 WeakPolarHBondContact CD1-O 3.13Å; S96-T121 VanDerWaalsContact CA-O 3.29Å; S96-T121 WeakPolarHBondContact CA-O 3.39Å; S96-T121 VanDerWaalsContact CB-OG1 3.29Å; S96-T121 WeakPolarHBondContact CB-OG1 3.48Å
97	I	97.9	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.2	162.7	-61	179.7	0	0	0	107.1	A101 F102 I113 L119 T121 I122 K123 A126	I97-A101 HydrophobicContact CG2-CB 3.65Å; I97-F102 HydrophobicContact CD1-CZ 4.43Å; I97-F102 HydrophobicContact CG2-CE2 4.04Å; I97-F102 HydrophobicContact CG2-CZ 4.01Å; I97-I113 HydrophobicContact CD1-CD1 3.41Å; I97-I113 VanDerWaalsContact CD1-CD1 3.41Å; I97-I113 HydrophobicContact CD1-CG1 4.1Å; I97-I113 HydrophobicContact CD1-CG2 4.32Å; I97-L119 HydrophobicContact CD1-CD2 4.44Å; I97-L119 HydrophobicContact CG1-CD1 4.09Å; I97-T121 PolarHBondContact N-O 3.43Å; I97-I122 HydrophobicContact CB-CG1 4.31Å; I97-I122 HydrophobicContact CB-CG2 4.42Å; I97-I122 HydrophobicContact CD1-CD1 4.24Å; I97-I122 HydrophobicContact CD1-CG1 4.15Å; I97-I122 HydrophobicContact CG1-CG1 4.45Å; I97-K123 WeakPolarHBondContact O-CB 3.36Å; I97-K123 WeakPolarHBondContact O-CG 3.39Å; I97-K123 PolarHBondContact O-N 3.09Å; I97-A126 HydrophobicContact CG2-CB 4.04Å
98	G	96.8	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-65.9	167	-173.5	0	0	0	0	0	114	E71 I72 S100 A101	E71-G98 WeakPolarHBondContact OE1-CA 3.5Å; I72-G98 WeakPolarHBondContact O-CA 3.31Å; I72-G98 PolarHBondContact O-N 3.47Å; G98-S100 PolarHBondContact O-N 2.87Å; G98-A101 WeakPolarHBondContact O-CB 3.38Å; G98-A101 PolarHBondContact O-N 3.28Å
99	A	96.7	Very high	95.2	Very high	40 Å²	40	34.2 Å²	34.2	33%	0.331	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	134.9	177.9	0	0	0	0	0	110.5	Q74 A101 K123 A124	Q74-A99 WeakPolarHBondContact CA-O 3.14Å; Q74-A99 WeakPolarHBondContact CB-O 3.36Å; A99-A101 PolarHBondContact O-N 3.35Å; A99-A101 VanDerWaalsContact O-N 3.13Å; A99-K123 HydrophobicContact CB-CB 4.28Å; A99-A124 WeakPolarHBondContact CA-O 3.42Å; A99-A124 WeakPolarHBondContact CB-O 3.38Å
100	S	95.6	Very high	95.3	Very high	25 Å²	25	33.5 Å²	33.5	18%	0.175	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	34	-176.6	-55.6	0	0	0	0	113.7	R75 G98 F102 A103 A124 F125	R75-S100 PolarHBondContact N-O 3.01Å; G98-S100 PolarHBondContact O-N 2.87Å; S100-F102 VanDerWaalsContact C-N 3.26Å; S100-F102 PolarHBondContact O-N 3.21Å; S100-A103 WeakPolarHBondContact O-CB 3.27Å; S100-A103 PolarHBondContact O-N 2.99Å; S100-A124 PolarHBondContact N-O 2.83Å; S100-F125 WeakPolarHBondContact CA-O 3.36Å
101	A	95.3	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-40.3	-178.3	0	0	0	0	0	113	I72 I97 G98 A99	I72-A101 HydrophobicContact CG2-CB 3.9Å; I97-A101 HydrophobicContact CG2-CB 3.65Å; G98-A101 WeakPolarHBondContact O-CB 3.38Å; G98-A101 PolarHBondContact O-N 3.28Å; A99-A101 PolarHBondContact O-N 3.35Å; A99-A101 VanDerWaalsContact O-N 3.13Å
102	F	95.5	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	9.6	-177.1	-50.9	-52.3	0	0	0	113.8	F77 L86 I88 I97 S100 L105 L108 V111 A126 F127 L130	F77-F102 AromaticContact CD2-CD1 3.86Å; F77-F102 HydrophobicContact CD2-CD1 3.86Å; F77-F102 HydrophobicContact CD2-CE1 4.23Å; F77-F102 AromaticContact CE2-CD1 3.83Å; F77-F102 HydrophobicContact CE2-CD1 3.83Å; F77-F102 AromaticContact CE2-CE1 3.7Å; F77-F102 HydrophobicContact CE2-CE1 3.7Å; L86-F102 HydrophobicContact CD2-CD1 3.63Å; L86-F102 HydrophobicContact CD2-CE1 3.41Å; L86-F102 VanDerWaalsContact CD2-CE1 3.41Å; L86-F102 HydrophobicContact CD2-CZ 4.31Å; I88-F102 HydrophobicContact CD1-CE1 3.86Å; I88-F102 HydrophobicContact CD1-CZ 3.71Å; I97-F102 HydrophobicContact CD1-CZ 4.43Å; I97-F102 HydrophobicContact CG2-CE2 4.04Å; I97-F102 HydrophobicContact CG2-CZ 4.01Å; S100-F102 VanDerWaalsContact C-N 3.26Å; S100-F102 PolarHBondContact O-N 3.21Å; F102-L105 HydrophobicContact CB-CD1 4.22Å; F102-L105 WeakPolarHBondContact O-CD1 3.26Å; F102-L105 WeakPolarHBondContact O-CG 3.37Å; F102-L108 HydrophobicContact CB-CD2 4.38Å; F102-V111 HydrophobicContact CE2-CG1 4.42Å; F102-V111 HydrophobicContact CZ-CG1 4.41Å; F102-A126 WeakPolarHBondContact CB-O 3.37Å; F102-A126 WeakPolarHBondContact CD2-O 3.48Å; F102-A126 PolarHBondContact N-O 3.06Å; F102-F127 AromaticContact CD2-CD1 3.61Å; F102-F127 HydrophobicContact CD2-CD1 3.61Å; F102-F127 AromaticContact CD2-CE1 3.74Å; F102-F127 HydrophobicContact CD2-CE1 3.74Å; F102-F127 HydrophobicContact CD2-CG 4.2Å; F102-F127 HydrophobicContact CD2-CZ 4.39Å; F102-F127 AromaticContact CE2-CD1 3.81Å; F102-F127 HydrophobicContact CE2-CD1 3.81Å; F102-F127 AromaticContact CE2-CE1 3.41Å; F102-F127 HydrophobicContact CE2-CE1 3.41Å; F102-F127 VanDerWaalsContact CE2-CE1 3.41Å; F102-F127 HydrophobicContact CE2-CE2 4.42Å; F102-F127 HydrophobicContact CE2-CG 4.47Å; F102-F127 AromaticContact CE2-CZ 3.76Å; F102-F127 HydrophobicContact CE2-CZ 3.76Å; F102-F127 HydrophobicContact CZ-CE1 4.48Å; F102-L130 HydrophobicContact CB-CD1 4.11Å; F102-L130 WeakPolarHBondContact O-CD2 3.47Å
103	A	92.6	Very high	96	Very high	23 Å²	23	28 Å²	28	19%	0.19	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	142.5	-178.2	0	0	0	0	0	112.3	R75 S100	R75-A103 HydrophobicContact CG-CB 4.44Å; S100-A103 WeakPolarHBondContact O-CB 3.27Å; S100-A103 PolarHBondContact O-N 2.99Å
104	G	88.4	Confident	96.1	Very high	47 Å²	47	25.1 Å²	25.1	49%	0.485	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	16.5	178.4	0	0	0	0	0	115.2	P106	G104-P106 WeakPolarHBondContact O-CD 3.27Å
105	L	94	Very high	96.1	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	17%	0.168	C	C	.	.			trans	-108.4	84.3	178.4	-62.9	175.7	0	0	0	111.2	F77 L80 L83 F102 Q107 L108 L130	F77-L105 HydrophobicContact CB-CD1 3.94Å; F77-L105 HydrophobicContact CB-CD2 4.08Å; F77-L105 HydrophobicContact CB-CG 4.4Å; F77-L105 VanDerWaalsContact O-CD2 3.31Å; F77-L105 WeakPolarHBondContact O-CD2 3.44Å; L80-L105 HydrophobicContact CB-CD2 4.17Å; L80-L105 VanDerWaalsContact O-CD2 3.27Å; L80-L105 WeakPolarHBondContact O-CD2 3.06Å; L83-L105 HydrophobicContact CB-CD2 4.33Å; L83-L105 HydrophobicContact CD2-CD1 4.21Å; L83-L105 HydrophobicContact CD2-CD2 4.37Å; F102-L105 HydrophobicContact CB-CD1 4.22Å; F102-L105 WeakPolarHBondContact O-CD1 3.26Å; F102-L105 WeakPolarHBondContact O-CG 3.37Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 3.41Å; L105-L108 HydrophobicContact CB-CB 3.82Å; L105-L108 HydrophobicContact CB-CD2 4.23Å; L105-L108 HydrophobicContact CD1-CD2 3.72Å; L105-L108 PolarHBondContact O-N 3.15Å; L105-L130 HydrophobicContact CB-CD2 4.07Å; L105-L130 WeakPolarHBondContact O-CD2 3.49Å
106	P	92.6	Very high	96.1	Very high	65 Å²	65	22.7 Å²	22.7	42%	0.422	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.4	-170.1	28.2	-35.8	0	0	0	114.3	G104 E132	G104-P106 WeakPolarHBondContact O-CD 3.27Å; P106-E132 WeakPolarHBondContact O-CG 3.41Å
107	Q	95.9	Very high	95.8	Very high	94 Å²	94	26.1 Å²	26.1	44%	0.439	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	3.8	-177.2	-62.4	-169.7	-21.7	0	0	113.4	L83 T84 L105 S109	L83-Q107 CarbonylContact O-C 3.27Å; L83-Q107 VanDerWaalsContact O-C 3.27Å; T84-Q107 WeakPolarHBondContact CA-O 3.41Å; T84-Q107 HydrophobicContact CG2-CB 4.37Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 3.41Å; Q107-S109 PolarHBondContact O-N 3.35Å
108	L	97.2	Very high	95.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.175	C	C	.	.			trans	-68.9	116.8	-175.9	-178	67.4	0	0	0	110	L83 L86 F102 L105 V111 L130 E132 L133	L83-L108 HydrophobicContact CD2-CD1 4.38Å; L83-L108 HydrophobicContact CG-CD1 4.35Å; L83-L108 VanDerWaalsContact O-CA 3.23Å; L83-L108 WeakPolarHBondContact O-CA 3.47Å; L83-L108 PolarHBondContact O-N 3.4Å; L83-L108 VanDerWaalsContact O-N 3.16Å; L86-L108 HydrophobicContact CB-CD1 4.05Å; F102-L108 HydrophobicContact CB-CD2 4.38Å; L105-L108 HydrophobicContact CB-CB 3.82Å; L105-L108 HydrophobicContact CB-CD2 4.23Å; L105-L108 HydrophobicContact CD1-CD2 3.72Å; L105-L108 PolarHBondContact O-N 3.15Å; L108-V111 HydrophobicContact CD1-CG2 4.15Å; L108-V111 HydrophobicContact CD2-CG2 3.62Å; L108-V111 HydrophobicContact CG-CG2 4Å; L108-L130 HydrophobicContact CD2-CD1 4.07Å; L108-L130 HydrophobicContact CD2-CD2 4.46Å; L108-E132 CarbonylContact O-C 3.29Å; L108-E132 VanDerWaalsContact O-C 3.29Å; L108-L133 HydrophobicContact CD2-CD1 4.42Å; L108-L133 HydrophobicContact CG-CD1 4.16Å; L108-L133 WeakPolarHBondContact O-CA 3.48Å; L108-L133 PolarHBondContact O-N 3.07Å; L108-L133 VanDerWaalsContact O-N 3.11Å
109	S	97.8	Very high	95.8	Very high	34 Å²	34	28.2 Å²	28.2	24%	0.238	18%	0.175	C	C	.	.			trans	-102.5	-42.3	-177.8	173.9	0	0	0	0	112	T84 Q107 E132 A134 E135	T84-S109 PolarHBondContact O-N 2.91Å; Q107-S109 PolarHBondContact O-N 3.35Å; S109-E132 WeakPolarHBondContact CA-O 3.29Å; S109-A134 PolarHBondContact O-N 3.49Å; S109-E135 PolarHBondContact O-N 3.17Å
110	D	98.4	Very high	95.8	Very high	20 Å²	20	30.4 Å²	30.4	11%	0.107	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.5	-170.5	-45.8	-74.1	0	0	0	111.9	T84 K85 L86 Y112 E135	T84-D110 PolarHBondContact O-N 3.38Å; K85-D110 WeakPolarHBondContact CA-O 3.08Å; K85-D110 VanDerWaalsContact CE-OD2 3.25Å; K85-D110 WeakPolarHBondContact CE-OD2 3.34Å; K85-D110 HydrophobicContact CG-CB 4.2Å; K85-D110 WeakPolarHBondContact CG-OD2 3.47Å; L86-D110 PolarHBondContact N-O 2.95Å; D110-Y112 HydrophobicContact CB-CD2 4.33Å; D110-Y112 HydrophobicContact CB-CE2 3.54Å; D110-E135 WeakPolarHBondContact CA-O 3.33Å; D110-E135 HydrophobicContact CB-CB 4.45Å; D110-E135 WeakPolarHBondContact OD1-CB 3.43Å
111	V	98.4	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.1	173.3	-176.5	0	0	0	0	110.6	L86 F102 L108 I113 F127 L133 E135 I136 E137	L86-V111 HydrophobicContact CB-CG2 4.47Å; L86-V111 WeakPolarHBondContact O-CA 3.46Å; F102-V111 HydrophobicContact CE2-CG1 4.42Å; F102-V111 HydrophobicContact CZ-CG1 4.41Å; L108-V111 HydrophobicContact CD1-CG2 4.15Å; L108-V111 HydrophobicContact CD2-CG2 3.62Å; L108-V111 HydrophobicContact CG-CG2 4Å; V111-I113 HydrophobicContact CG1-CD1 4.04Å; V111-I113 HydrophobicContact CG1-CG1 4.11Å; V111-F127 HydrophobicContact CB-CE1 4.15Å; V111-F127 HydrophobicContact CG1-CE1 3.83Å; V111-F127 HydrophobicContact CG2-CE1 4.45Å; V111-L133 HydrophobicContact CG2-CD1 3.77Å; V111-E135 PolarHBondContact N-O 3.01Å; V111-I136 WeakPolarHBondContact O-CA 3.35Å; V111-E137 PolarHBondContact O-N 3.06Å
112	Y	98.5	Very high	96.1	Very high	41 Å²	41	31.2 Å²	31.2	16%	0.161	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.4	178.8	-60.2	-83.3	0	0	0	110.2	L86 F87 I88 D110 E135 E137	L86-Y112 PolarHBondContact O-N 3.02Å; F87-Y112 CarbonylContact C-O 3.58Å; F87-Y112 WeakPolarHBondContact CA-O 3.33Å; F87-Y112 AromaticContact CD1-CD2 3.58Å; F87-Y112 HydrophobicContact CD1-CD2 3.58Å; F87-Y112 AromaticContact CD1-CG 3.81Å; F87-Y112 HydrophobicContact CD1-CG 3.81Å; F87-Y112 AromaticContact CE1-CD2 3.16Å; F87-Y112 HydrophobicContact CE1-CD2 3.16Å; F87-Y112 AromaticContact CE1-CE2 3.72Å; F87-Y112 HydrophobicContact CE1-CE2 3.72Å; F87-Y112 AromaticContact CE1-CG 3.65Å; F87-Y112 HydrophobicContact CE1-CG 3.65Å; F87-Y112 HydrophobicContact CE2-CD2 4.35Å; F87-Y112 HydrophobicContact CG-CD2 4.32Å; F87-Y112 AromaticContact CZ-CD2 3.61Å; F87-Y112 HydrophobicContact CZ-CD2 3.61Å; F87-Y112 AromaticContact CZ-CE2 3.81Å; F87-Y112 HydrophobicContact CZ-CE2 3.81Å; I88-Y112 PolarHBondContact N-O 3.5Å; D110-Y112 HydrophobicContact CB-CD2 4.33Å; D110-Y112 HydrophobicContact CB-CE2 3.54Å; Y112-E135 WeakPolarHBondContact CE1-OE1 3.27Å; Y112-E135 PolarHBondContact OH-OE1 3.18Å; Y112-E137 HydrophobicContact CD1-CB 3.65Å; Y112-E137 HydrophobicContact CD1-CG 4.36Å; Y112-E137 HydrophobicContact CE1-CB 4.1Å
113	I	98.1	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	104	177.4	-64.3	154.9	0	0	0	107.1	I88 I97 V111 N116 L119 F127 E137 I138 T139	I88-I113 HydrophobicContact CB-CG1 4.22Å; I88-I113 HydrophobicContact CD1-CG1 4.01Å; I88-I113 WeakPolarHBondContact O-CA 3.3Å; I97-I113 HydrophobicContact CD1-CD1 3.41Å; I97-I113 VanDerWaalsContact CD1-CD1 3.41Å; I97-I113 HydrophobicContact CD1-CG1 4.1Å; I97-I113 HydrophobicContact CD1-CG2 4.32Å; V111-I113 HydrophobicContact CG1-CD1 4.04Å; V111-I113 HydrophobicContact CG1-CG1 4.11Å; I113-N116 VanDerWaalsContact CG2-ND2 3.35Å; I113-N116 WeakPolarHBondContact CG2-ND2 3.42Å; I113-L119 HydrophobicContact CG2-CD2 3.83Å; I113-F127 HydrophobicContact CD1-CE1 4.17Å; I113-F127 HydrophobicContact CD1-CZ 3.61Å; I113-E137 PolarHBondContact N-O 3.32Å; I113-I138 HydrophobicContact CB-CG1 4.36Å; I113-I138 HydrophobicContact CD1-CG1 4.15Å; I113-I138 CarbonylContact O-C 3.35Å; I113-I138 VanDerWaalsContact O-CA 3.32Å; I113-I138 WeakPolarHBondContact O-CA 3.3Å; I113-T139 PolarHBondContact O-N 3.21Å
114	S	97.7	Very high	96.4	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.6	-175.6	-156.7	0	0	0	0	113.6	I88 L89 Q90 N116 T139	I88-S114 PolarHBondContact O-N 3.05Å; L89-S114 VanDerWaalsContact CA-O 3.29Å; L89-S114 WeakPolarHBondContact CA-O 3.24Å; Q90-S114 PolarHBondContact N-O 3.34Å; Q90-S114 VanDerWaalsContact N-O 3.08Å; S114-N116 PolarHBondContact N-ND2 3.34Å; S114-N116 PolarHBondContact O-N 3.47Å; S114-N116 VanDerWaalsContact O-N 3.11Å; S114-N116 PolarHBondContact O-ND2 3.36Å; S114-T139 VanDerWaalsContact CA-O 3.3Å; S114-T139 WeakPolarHBondContact CA-O 3.46Å; S114-T139 WeakPolarHBondContact CB-OG1 3.24Å; S114-T139 PolarHBondContact OG-O 2.96Å; S114-T139 PolarHBondContact OG-OG1 3.16Å
115	E	95.9	Very high	96.8	Very high	61 Å²	61	35.4 Å²	35.4	29%	0.285	19%	0.186	S	C	.	.			trans	58.4	27	173.9	-59.3	-179.3	-177.8	0	0	113.8	Q90 L117 T139 K140	Q90-E115 WeakPolarHBondContact CA-O 3.21Å; Q90-E115 HydrophobicContact CG-CB 3.9Å; Q90-E115 VanDerWaalsContact CG-OE2 3.31Å; Q90-E115 WeakPolarHBondContact CG-OE2 3.42Å; Q90-E115 PolarHBondContact NE2-OE2 2.99Å; E115-L117 PolarHBondContact O-N 3.07Å; E115-T139 PolarHBondContact N-O 3.35Å; E115-K140 HydrophobicContact CG-CB 4Å; E115-K140 HydrophobicContact CG-CD 3.51Å; E115-K140 HydrophobicContact CG-CG 4.44Å; E115-K140 WeakPolarHBondContact OE1-CD 3.39Å; E115-K140 IonicContact OE1-NZ 3.56Å; E115-K140 PolarHBondContact OE1-NZ 3.33Å
116	N	96.3	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.			trans	-89	85.1	173.9	-58.5	-62.2	0	0	0	108.9	I88 N91 L94 I113 S114 S118 L119	I88-N116 PolarHBondContact O-ND2 3.26Å; N91-N116 VanDerWaalsContact CB-OD1 3.26Å; N91-N116 WeakPolarHBondContact CB-OD1 3.39Å; N91-N116 PolarHBondContact N-OD1 3.24Å; N91-N116 PolarHBondContact ND2-OD1 2.95Å; L94-N116 HydrophobicContact CD2-CB 4.43Å; I113-N116 VanDerWaalsContact CG2-ND2 3.35Å; I113-N116 WeakPolarHBondContact CG2-ND2 3.42Å; S114-N116 PolarHBondContact N-ND2 3.34Å; S114-N116 PolarHBondContact O-N 3.47Å; S114-N116 VanDerWaalsContact O-N 3.11Å; S114-N116 PolarHBondContact O-ND2 3.36Å; N116-S118 VanDerWaalsContact C-N 3.29Å; N116-S118 PolarHBondContact O-N 3.36Å; N116-L119 HydrophobicContact CB-CB 3.91Å; N116-L119 HydrophobicContact CB-CD2 4.46Å; N116-L119 WeakPolarHBondContact O-CB 3.04Å; N116-L119 PolarHBondContact O-N 2.71Å; N116-L119 VanDerWaalsContact O-N 3.11Å
117	L	92.5	Very high	97.2	Very high	81 Å²	81	32.1 Å²	32.1	42%	0.424	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.8	-166.4	-68.1	176.1	0	0	0	114.3	E115 H143	E115-L117 PolarHBondContact O-N 3.07Å; L117-H143 PolarHBondContact O-ND1 3.42Å
118	S	96.4	Very high	97.1	Very high	45 Å²	45	28.1 Å²	28.1	32%	0.315	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.6	179.8	-62.6	0	0	0	0	113.9	N92 L94 Q95 N116 E120	N92-S118 WeakPolarHBondContact O-CB 3.46Å; N92-S118 PolarHBondContact O-OG 3.08Å; L94-S118 CarbonylContact O-C 3.59Å; Q95-S118 WeakPolarHBondContact CA-O 3.31Å; N116-S118 VanDerWaalsContact C-N 3.29Å; N116-S118 PolarHBondContact O-N 3.36Å; S118-E120 WeakPolarHBondContact O-CG 3.26Å; S118-E120 PolarHBondContact O-N 3.17Å; S118-E120 VanDerWaalsContact O-N 3.14Å
119	L	98.1	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.			trans	-68.3	115.5	-176.9	177.8	64.9	0	0	0	109.3	L94 I97 I113 N116 H143 L144	L94-L119 HydrophobicContact CG-CD1 4.4Å; L94-L119 WeakPolarHBondContact O-CA 3.38Å; L94-L119 PolarHBondContact O-N 2.95Å; I97-L119 HydrophobicContact CD1-CD2 4.44Å; I97-L119 HydrophobicContact CG1-CD1 4.09Å; I113-L119 HydrophobicContact CG2-CD2 3.83Å; N116-L119 HydrophobicContact CB-CB 3.91Å; N116-L119 HydrophobicContact CB-CD2 4.46Å; N116-L119 WeakPolarHBondContact O-CB 3.04Å; N116-L119 PolarHBondContact O-N 2.71Å; N116-L119 VanDerWaalsContact O-N 3.11Å; L119-H143 CarbonylContact O-C 3.57Å; L119-L144 HydrophobicContact CG-CD1 4.32Å; L119-L144 WeakPolarHBondContact O-CA 3.04Å; L119-L144 PolarHBondContact O-N 2.91Å
120	E	97.7	Very high	96.7	Very high	85 Å²	85	31.1 Å²	31.1	40%	0.397	16%	0.161	S	C	.	.			trans	-103	-35.8	-177	-64.6	-169.5	179.3	0	0	113.1	Q95 S118 H143 R145 S146	Q95-E120 PolarHBondContact O-N 3.43Å; S118-E120 WeakPolarHBondContact O-CG 3.26Å; S118-E120 PolarHBondContact O-N 3.17Å; S118-E120 VanDerWaalsContact O-N 3.14Å; E120-H143 WeakPolarHBondContact CA-O 3.44Å; E120-R145 PolarHBondContact O-N 3.45Å; E120-S146 PolarHBondContact O-N 2.89Å
121	T	97.9	Very high	96.4	Very high	42 Å²	42	33 Å²	33	26%	0.258	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.9	-171.1	63.1	0	0	0	0	113.8	Q95 S96 I97 S146	Q95-T121 PolarHBondContact O-N 3.39Å; S96-T121 VanDerWaalsContact CA-O 3.29Å; S96-T121 WeakPolarHBondContact CA-O 3.39Å; S96-T121 VanDerWaalsContact CB-OG1 3.29Å; S96-T121 WeakPolarHBondContact CB-OG1 3.48Å; I97-T121 PolarHBondContact N-O 3.43Å; T121-S146 WeakPolarHBondContact CA-O 3.1Å; T121-S146 WeakPolarHBondContact CG2-OG 3.26Å
122	I	98.3	Very high	96.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.6	164.5	-61.6	-178.8	0	0	0	107.3	I97 A126 F127 I138 L144 S146 I147 H148 A151	I97-I122 HydrophobicContact CB-CG1 4.31Å; I97-I122 HydrophobicContact CB-CG2 4.42Å; I97-I122 HydrophobicContact CD1-CD1 4.24Å; I97-I122 HydrophobicContact CD1-CG1 4.15Å; I97-I122 HydrophobicContact CG1-CG1 4.45Å; I122-A126 HydrophobicContact CG2-CB 3.65Å; I122-F127 HydrophobicContact CD1-CE2 4.4Å; I122-F127 HydrophobicContact CG2-CE2 3.98Å; I122-I138 HydrophobicContact CD1-CD1 3.66Å; I122-I138 HydrophobicContact CD1-CG1 4.48Å; I122-L144 HydrophobicContact CD1-CD1 4.46Å; I122-L144 HydrophobicContact CD1-CD2 4.28Å; I122-L144 HydrophobicContact CG1-CD1 4.01Å; I122-S146 PolarHBondContact N-O 3.5Å; I122-S146 VanDerWaalsContact N-O 3.13Å; I122-I147 HydrophobicContact CB-CG1 4.31Å; I122-I147 HydrophobicContact CB-CG2 4.33Å; I122-I147 HydrophobicContact CD1-CD1 4.44Å; I122-I147 HydrophobicContact CD1-CG1 4.19Å; I122-I147 HydrophobicContact CG1-CG1 4.48Å; I122-I147 HydrophobicContact CG2-CG2 4.44Å; I122-H148 WeakPolarHBondContact O-CB 3.44Å; I122-H148 PolarHBondContact O-N 3.38Å; I122-A151 HydrophobicContact CG2-CB 4.17Å
123	K	97.9	Very high	96.3	Very high	75 Å²	75	36.5 Å²	36.5	33%	0.326	19%	0.193	S	C	.	.			trans	-80	174	-172.7	-61.5	-173.6	-170.4	166.9	0	112.2	E71 I97 A99 A126	E71-K123 VanDerWaalsContact CD-NZ 3.28Å; E71-K123 IonicContact OE1-NZ 3.97Å; E71-K123 PolarHBondContact OE1-NZ 2.99Å; E71-K123 IonicContact OE2-NZ 3.61Å; E71-K123 PolarHBondContact OE2-NZ 3.49Å; I97-K123 WeakPolarHBondContact O-CB 3.36Å; I97-K123 WeakPolarHBondContact O-CG 3.39Å; I97-K123 PolarHBondContact O-N 3.09Å; A99-K123 HydrophobicContact CB-CB 4.28Å; K123-A126 WeakPolarHBondContact O-CB 3.49Å; K123-A126 PolarHBondContact O-N 3.23Å
124	A	97.4	Very high	96.3	Very high	17 Å²	17	37.9 Å²	37.9	14%	0.14	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	142.8	-176.4	0	0	0	0	0	112.7	A99 S100 A126 H148 D150	A99-A124 WeakPolarHBondContact CA-O 3.42Å; A99-A124 WeakPolarHBondContact CB-O 3.38Å; S100-A124 PolarHBondContact N-O 2.83Å; A124-A126 PolarHBondContact O-N 2.89Å; A124-H148 HydrophobicContact CB-CB 4.46Å; A124-H148 WeakPolarHBondContact CB-ND1 3.2Å; A124-D150 HydrophobicContact CB-CB 4.37Å
125	F	96.6	Very high	96.3	Very high	65 Å²	65	38.8 Å²	38.8	29%	0.285	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	17.8	175.1	-44.6	-65.1	0	0	0	115.2	S100 F127 S128 D150 R153	S100-F125 WeakPolarHBondContact CA-O 3.36Å; F125-F127 PolarHBondContact O-N 3Å; F125-S128 WeakPolarHBondContact O-CB 3.15Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-S128 VanDerWaalsContact O-N 3.09Å; F125-D150 VanDerWaalsContact CA-O 3.3Å; F125-D150 WeakPolarHBondContact CA-O 3.37Å; F125-D150 HydrophobicContact CD1-CB 3.91Å; F125-D150 HydrophobicContact CE1-CB 3.51Å; F125-D150 HydrophobicContact CZ-CB 3.9Å; F125-D150 PolarHBondContact N-O 3.4Å; F125-R153 HydrophobicContact CD1-CB 4.32Å
126	A	97.2	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-41.8	-177.7	0	0	0	0	0	112.4	I97 F102 I122 K123 A124	I97-A126 HydrophobicContact CG2-CB 4.04Å; F102-A126 WeakPolarHBondContact CB-O 3.37Å; F102-A126 WeakPolarHBondContact CD2-O 3.48Å; F102-A126 PolarHBondContact N-O 3.06Å; I122-A126 HydrophobicContact CG2-CB 3.65Å; K123-A126 WeakPolarHBondContact O-CB 3.49Å; K123-A126 PolarHBondContact O-N 3.23Å; A124-A126 PolarHBondContact O-N 2.89Å
127	F	96.7	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	24.1	178	-55	-90.6	0	0	0	112.7	F102 V111 I113 I122 F125 L130 L133 I136 I138 A151 F152 I155	F102-F127 AromaticContact CD2-CD1 3.61Å; F102-F127 HydrophobicContact CD2-CD1 3.61Å; F102-F127 AromaticContact CD2-CE1 3.74Å; F102-F127 HydrophobicContact CD2-CE1 3.74Å; F102-F127 HydrophobicContact CD2-CG 4.2Å; F102-F127 HydrophobicContact CD2-CZ 4.39Å; F102-F127 AromaticContact CE2-CD1 3.81Å; F102-F127 HydrophobicContact CE2-CD1 3.81Å; F102-F127 AromaticContact CE2-CE1 3.41Å; F102-F127 HydrophobicContact CE2-CE1 3.41Å; F102-F127 VanDerWaalsContact CE2-CE1 3.41Å; F102-F127 HydrophobicContact CE2-CE2 4.42Å; F102-F127 HydrophobicContact CE2-CG 4.47Å; F102-F127 AromaticContact CE2-CZ 3.76Å; F102-F127 HydrophobicContact CE2-CZ 3.76Å; F102-F127 HydrophobicContact CZ-CE1 4.48Å; V111-F127 HydrophobicContact CB-CE1 4.15Å; V111-F127 HydrophobicContact CG1-CE1 3.83Å; V111-F127 HydrophobicContact CG2-CE1 4.45Å; I113-F127 HydrophobicContact CD1-CE1 4.17Å; I113-F127 HydrophobicContact CD1-CZ 3.61Å; I122-F127 HydrophobicContact CD1-CE2 4.4Å; I122-F127 HydrophobicContact CG2-CE2 3.98Å; F125-F127 PolarHBondContact O-N 3Å; F127-L130 HydrophobicContact CB-CD1 4.4Å; F127-L133 HydrophobicContact CB-CD2 4.35Å; F127-L133 HydrophobicContact CD1-CD2 4.35Å; F127-I136 HydrophobicContact CB-CD1 4.34Å; F127-I136 HydrophobicContact CD1-CD1 3.97Å; F127-I136 HydrophobicContact CD1-CG1 4.31Å; F127-I136 HydrophobicContact CE1-CD1 4.41Å; F127-I136 HydrophobicContact CE1-CG1 4.45Å; F127-I136 HydrophobicContact CE1-CG2 4.08Å; F127-I136 HydrophobicContact CG-CD1 4.12Å; F127-I136 HydrophobicContact CZ-CG2 4.16Å; F127-I138 HydrophobicContact CZ-CD1 4.46Å; F127-A151 WeakPolarHBondContact CB-O 3.33Å; F127-A151 PolarHBondContact N-O 2.97Å; F127-F152 HydrophobicContact CB-CD1 4.29Å; F127-F152 AromaticContact CD2-CD1 3.79Å; F127-F152 HydrophobicContact CD2-CD1 3.79Å; F127-F152 AromaticContact CD2-CE1 3.62Å; F127-F152 HydrophobicContact CD2-CE1 3.62Å; F127-F152 HydrophobicContact CE2-CD1 4.42Å; F127-F152 AromaticContact CE2-CE1 3.79Å; F127-F152 HydrophobicContact CE2-CE1 3.79Å; F127-F152 HydrophobicContact CG-CD1 4.23Å; F127-F152 HydrophobicContact CG-CE1 4.31Å; F127-I155 WeakPolarHBondContact O-CG2 3.41Å
128	S	94.6	Very high	96.9	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.07	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	144	-173.2	-164.6	0	0	0	0	112.9	F125 L130 R153	F125-S128 WeakPolarHBondContact O-CB 3.15Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-S128 VanDerWaalsContact O-N 3.09Å; S128-L130 PolarHBondContact O-N 3.42Å; S128-R153 VanDerWaalsContact CA-O 3.29Å; S128-R153 WeakPolarHBondContact CA-O 3.48Å; S128-R153 PolarHBondContact OG-O 3.46Å
129	D	91.8	Very high	97	Very high	94 Å²	94	33.1 Å²	33.1	50%	0.503	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	43.1	167.8	-53.1	-65.2	0	0	0	113.9	P131 R153 N154	D129-P131 WeakPolarHBondContact O-CD 3.14Å; D129-R153 PolarHBondContact N-O 2.98Å; D129-R153 VanDerWaalsContact N-O 3.15Å; D129-N154 WeakPolarHBondContact OD1-CB 3.39Å; D129-N154 PolarHBondContact OD1-ND2 3.2Å
130	L	94.8	Very high	96.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.194	C	C	.	.			trans	-105.1	95.7	175.6	-63.4	169.9	0	0	0	109.3	F102 L105 L108 F127 S128 E132 L133 I155	F102-L130 HydrophobicContact CB-CD1 4.11Å; F102-L130 WeakPolarHBondContact O-CD2 3.47Å; L105-L130 HydrophobicContact CB-CD2 4.07Å; L105-L130 WeakPolarHBondContact O-CD2 3.49Å; L108-L130 HydrophobicContact CD2-CD1 4.07Å; L108-L130 HydrophobicContact CD2-CD2 4.46Å; F127-L130 HydrophobicContact CB-CD1 4.4Å; S128-L130 PolarHBondContact O-N 3.42Å; L130-E132 VanDerWaalsContact C-N 3.35Å; L130-E132 PolarHBondContact O-N 3.47Å; L130-L133 HydrophobicContact CB-CB 3.68Å; L130-L133 HydrophobicContact CB-CD2 4.18Å; L130-L133 HydrophobicContact CD1-CD2 3.81Å; L130-L133 PolarHBondContact O-N 3.48Å; L130-I155 HydrophobicContact CB-CG2 4.39Å
131	P	92.8	Very high	96.8	Very high	60 Å²	60	33.7 Å²	33.7	39%	0.39	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-27.6	-167.2	27.1	-35.1	0	0	0	113.8	D129 S157	D129-P131 WeakPolarHBondContact O-CD 3.14Å; P131-S157 WeakPolarHBondContact O-CB 3.38Å; P131-S157 PolarHBondContact O-OG 3.03Å
132	E	96.4	Very high	96.7	Very high	115 Å²	115	37.5 Å²	37.5	54%	0.537	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.7	-179.5	-64.1	-63.8	159.4	0	0	113	P106 L108 S109 L130 A134	P106-E132 WeakPolarHBondContact O-CG 3.41Å; L108-E132 CarbonylContact O-C 3.29Å; L108-E132 VanDerWaalsContact O-C 3.29Å; S109-E132 WeakPolarHBondContact CA-O 3.29Å; L130-E132 VanDerWaalsContact C-N 3.35Å; L130-E132 PolarHBondContact O-N 3.47Å; E132-A134 PolarHBondContact O-N 2.67Å
133	L	97.8	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.			trans	-67.9	109.9	-174.2	-173.5	72.6	0	0	0	110.6	L108 V111 F127 L130 I136 I155 S157 L158	L108-L133 HydrophobicContact CD2-CD1 4.42Å; L108-L133 HydrophobicContact CG-CD1 4.16Å; L108-L133 WeakPolarHBondContact O-CA 3.48Å; L108-L133 PolarHBondContact O-N 3.07Å; L108-L133 VanDerWaalsContact O-N 3.11Å; V111-L133 HydrophobicContact CG2-CD1 3.77Å; F127-L133 HydrophobicContact CB-CD2 4.35Å; F127-L133 HydrophobicContact CD1-CD2 4.35Å; L130-L133 HydrophobicContact CB-CB 3.68Å; L130-L133 HydrophobicContact CB-CD2 4.18Å; L130-L133 HydrophobicContact CD1-CD2 3.81Å; L130-L133 PolarHBondContact O-N 3.48Å; L133-I136 HydrophobicContact CD1-CG1 4.42Å; L133-I136 HydrophobicContact CD2-CD1 3.61Å; L133-I136 HydrophobicContact CD2-CG1 3.71Å; L133-I136 HydrophobicContact CG-CD1 4.49Å; L133-I136 HydrophobicContact CG-CG1 4.15Å; L133-I155 HydrophobicContact CD2-CG2 4.03Å; L133-S157 CarbonylContact O-C 3.25Å; L133-S157 VanDerWaalsContact O-C 3.25Å; L133-L158 HydrophobicContact CG-CD1 4.45Å; L133-L158 WeakPolarHBondContact O-CA 3.46Å; L133-L158 PolarHBondContact O-N 3.18Å; L133-L158 VanDerWaalsContact O-N 3.08Å
134	A	98	Very high	96.6	Very high	28 Å²	28	38.7 Å²	38.7	23%	0.231	19%	0.194	C	C	.	.			trans	-103.6	-31.3	-174.5	0	0	0	0	0	112.8	S109 E132 R159 R160	S109-A134 PolarHBondContact O-N 3.49Å; E132-A134 PolarHBondContact O-N 2.67Å; A134-R159 WeakPolarHBondContact O-CA 3.29Å; A134-R159 PolarHBondContact O-N 3.37Å; A134-R160 PolarHBondContact O-N 2.93Å
135	E	98.5	Very high	96.6	Very high	34 Å²	34	45.1 Å²	45.1	16%	0.159	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.2	-175.2	-169.5	155	129.8	0	0	112.2	S109 D110 V111 Y112 R160	S109-E135 PolarHBondContact O-N 3.17Å; D110-E135 WeakPolarHBondContact CA-O 3.33Å; D110-E135 HydrophobicContact CB-CB 4.45Å; D110-E135 WeakPolarHBondContact OD1-CB 3.43Å; V111-E135 PolarHBondContact N-O 3.01Å; Y112-E135 WeakPolarHBondContact CE1-OE1 3.27Å; Y112-E135 PolarHBondContact OH-OE1 3.18Å; E135-R160 WeakPolarHBondContact CA-O 3.47Å; E135-R160 HydrophobicContact CG-CB 4.05Å; E135-R160 HydrophobicContact CG-CG 4.35Å; E135-R160 VanDerWaalsContact OE2-CD 3.29Å; E135-R160 WeakPolarHBondContact OE2-CD 3.45Å; E135-R160 IonicContact OE2-NE 2.92Å; E135-R160 PolarHBondContact OE2-NE 3.14Å
136	I	98.6	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.3	168.8	-59.6	170.5	0	0	0	107.9	V111 F127 L133 I138 F152 I155 L158 R160 L161 T162	V111-I136 WeakPolarHBondContact O-CA 3.35Å; F127-I136 HydrophobicContact CB-CD1 4.34Å; F127-I136 HydrophobicContact CD1-CD1 3.97Å; F127-I136 HydrophobicContact CD1-CG1 4.31Å; F127-I136 HydrophobicContact CE1-CD1 4.41Å; F127-I136 HydrophobicContact CE1-CG1 4.45Å; F127-I136 HydrophobicContact CE1-CG2 4.08Å; F127-I136 HydrophobicContact CG-CD1 4.12Å; F127-I136 HydrophobicContact CZ-CG2 4.16Å; L133-I136 HydrophobicContact CD1-CG1 4.42Å; L133-I136 HydrophobicContact CD2-CD1 3.61Å; L133-I136 HydrophobicContact CD2-CG1 3.71Å; L133-I136 HydrophobicContact CG-CD1 4.49Å; L133-I136 HydrophobicContact CG-CG1 4.15Å; I136-I138 HydrophobicContact CG2-CD1 4.17Å; I136-I138 HydrophobicContact CG2-CG1 4.11Å; I136-F152 HydrophobicContact CD1-CD1 3.89Å; I136-F152 HydrophobicContact CD1-CE1 3.95Å; I136-F152 HydrophobicContact CG2-CE1 4.4Å; I136-I155 HydrophobicContact CD1-CD1 3.93Å; I136-L158 HydrophobicContact CB-CD1 4.4Å; I136-L158 HydrophobicContact CD1-CD1 3.83Å; I136-L158 HydrophobicContact CD1-CD2 4.5Å; I136-L158 HydrophobicContact CG1-CD1 3.75Å; I136-R160 PolarHBondContact N-O 3.03Å; I136-L161 HydrophobicContact CB-CD1 3.83Å; I136-L161 HydrophobicContact CD1-CD1 4.49Å; I136-L161 HydrophobicContact CG2-CD1 3.87Å; I136-L161 WeakPolarHBondContact O-CA 3.17Å; I136-T162 PolarHBondContact O-N 3.36Å
137	E	98.7	Very high	96.6	Very high	56 Å²	56	45.6 Å²	45.6	26%	0.262	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.3	172.2	-177	176.4	150.1	0	0	110.4	V111 Y112 I113 T139 T162	V111-E137 PolarHBondContact O-N 3.06Å; Y112-E137 HydrophobicContact CD1-CB 3.65Å; Y112-E137 HydrophobicContact CD1-CG 4.36Å; Y112-E137 HydrophobicContact CE1-CB 4.1Å; I113-E137 PolarHBondContact N-O 3.32Å; E137-T139 HydrophobicContact CG-CG2 3.52Å; E137-T139 VanDerWaalsContact OE1-CG2 3.29Å; E137-T139 WeakPolarHBondContact OE1-CG2 3.12Å; E137-T139 PolarHBondContact OE1-OG1 2.83Å; E137-T139 VanDerWaalsContact OE1-OG1 3.08Å; E137-T162 CarbonylContact C-O 3.05Å; E137-T162 WeakPolarHBondContact CA-O 3.32Å; E137-T162 HydrophobicContact CG-CG2 4.18Å
138	I	98.4	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	102.6	174.3	-58.2	164.8	0	0	0	107.5	I113 I122 F127 I136 L144 I147 F152 T162 I163 S164 T166	I113-I138 HydrophobicContact CB-CG1 4.36Å; I113-I138 HydrophobicContact CD1-CG1 4.15Å; I113-I138 CarbonylContact O-C 3.35Å; I113-I138 VanDerWaalsContact O-CA 3.32Å; I113-I138 WeakPolarHBondContact O-CA 3.3Å; I122-I138 HydrophobicContact CD1-CD1 3.66Å; I122-I138 HydrophobicContact CD1-CG1 4.48Å; F127-I138 HydrophobicContact CZ-CD1 4.46Å; I136-I138 HydrophobicContact CG2-CD1 4.17Å; I136-I138 HydrophobicContact CG2-CG1 4.11Å; I138-L144 HydrophobicContact CG2-CD2 3.72Å; I138-I147 HydrophobicContact CD1-CD1 4.26Å; I138-F152 HydrophobicContact CD1-CZ 4.25Å; I138-T162 PolarHBondContact N-O 2.95Å; I138-I163 HydrophobicContact CD1-CG1 4.46Å; I138-I163 CarbonylContact O-C 3.08Å; I138-I163 WeakPolarHBondContact O-CA 3.39Å; I138-S164 PolarHBondContact O-N 3.47Å; I138-T166 HydrophobicContact CG2-CG2 4.4Å
139	T	98.2	Very high	96.8	Very high	12 Å²	12	51.6 Å²	51.6	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.4	-173.6	56.9	0	0	0	0	113.3	I113 S114 E115 E137 S141 T162 S164	I113-T139 PolarHBondContact O-N 3.21Å; S114-T139 VanDerWaalsContact CA-O 3.3Å; S114-T139 WeakPolarHBondContact CA-O 3.46Å; S114-T139 WeakPolarHBondContact CB-OG1 3.24Å; S114-T139 PolarHBondContact OG-O 2.96Å; S114-T139 PolarHBondContact OG-OG1 3.16Å; E115-T139 PolarHBondContact N-O 3.35Å; E137-T139 HydrophobicContact CG-CG2 3.52Å; E137-T139 VanDerWaalsContact OE1-CG2 3.29Å; E137-T139 WeakPolarHBondContact OE1-CG2 3.12Å; E137-T139 PolarHBondContact OE1-OG1 2.83Å; E137-T139 VanDerWaalsContact OE1-OG1 3.08Å; T139-S141 PolarHBondContact O-N 3.43Å; T139-S141 PolarHBondContact O-OG 3.38Å; T139-T162 HydrophobicContact CG2-CG2 4.12Å; T139-S164 CarbonylContact C-O 3.5Å; T139-S164 VanDerWaalsContact CA-O 3.25Å; T139-S164 WeakPolarHBondContact CA-O 3.38Å
140	K	96.6	Very high	97	Very high	96 Å²	96	48.6 Å²	48.6	42%	0.417	24%	0.24	S	C	.	.	S	Bend	trans	53.7	27.6	170.8	-58.5	171.6	176.3	170.9	0	114.5	E115 K142 S164 N165	E115-K140 HydrophobicContact CG-CB 4Å; E115-K140 HydrophobicContact CG-CD 3.51Å; E115-K140 HydrophobicContact CG-CG 4.44Å; E115-K140 WeakPolarHBondContact OE1-CD 3.39Å; E115-K140 IonicContact OE1-NZ 3.56Å; E115-K140 PolarHBondContact OE1-NZ 3.33Å; K140-K142 PolarHBondContact O-N 2.9Å; K140-S164 PolarHBondContact N-O 2.77Å; K140-N165 CarbonylContact C-O 3.6Å; K140-N165 WeakPolarHBondContact CA-O 3.2Å
141	S	96.8	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.			trans	-102.9	70.7	178.7	-61.3	0	0	0	0	108.9	T139 H143 L144 N165 T166	T139-S141 PolarHBondContact O-N 3.43Å; T139-S141 PolarHBondContact O-OG 3.38Å; S141-H143 PolarHBondContact O-N 3.28Å; S141-H143 VanDerWaalsContact O-N 3.08Å; S141-L144 VanDerWaalsContact O-CB 3.26Å; S141-L144 WeakPolarHBondContact O-CB 3.37Å; S141-L144 PolarHBondContact O-N 2.93Å; S141-N165 PolarHBondContact N-O 3.13Å; S141-T166 WeakPolarHBondContact O-CA 3.12Å
142	K	95.3	Very high	97.3	Very high	123 Å²	123	45.7 Å²	45.7	54%	0.535	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.9	-165.5	-66.8	-176.3	178.1	-179.7	0	115.2	K140 G167	K140-K142 PolarHBondContact O-N 2.9Å; K142-G167 WeakPolarHBondContact O-CA 3.4Å; K142-G167 PolarHBondContact O-N 3.14Å
143	H	96.6	Very high	97.3	Very high	100 Å²	100	46 Å²	46	46%	0.463	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	3.8	177.5	-63.6	99	0	0	0	113.6	L117 L119 E120 S141 R145	L117-H143 PolarHBondContact O-ND1 3.42Å; L119-H143 CarbonylContact O-C 3.57Å; E120-H143 WeakPolarHBondContact CA-O 3.44Å; S141-H143 PolarHBondContact O-N 3.28Å; S141-H143 VanDerWaalsContact O-N 3.08Å; H143-R145 WeakPolarHBondContact O-CG 3.13Å; H143-R145 PolarHBondContact O-N 2.95Å
144	L	97.9	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.234	C	C	.	.			trans	-69.1	104.3	177.9	175.9	62.9	0	0	0	109.1	L119 I122 I138 S141 I147 T166 G167 L168	L119-L144 HydrophobicContact CG-CD1 4.32Å; L119-L144 WeakPolarHBondContact O-CA 3.04Å; L119-L144 PolarHBondContact O-N 2.91Å; I122-L144 HydrophobicContact CD1-CD1 4.46Å; I122-L144 HydrophobicContact CD1-CD2 4.28Å; I122-L144 HydrophobicContact CG1-CD1 4.01Å; I138-L144 HydrophobicContact CG2-CD2 3.72Å; S141-L144 VanDerWaalsContact O-CB 3.26Å; S141-L144 WeakPolarHBondContact O-CB 3.37Å; S141-L144 PolarHBondContact O-N 2.93Å; L144-I147 HydrophobicContact CD1-CG1 4.47Å; L144-I147 HydrophobicContact CD2-CD1 4.26Å; L144-I147 HydrophobicContact CD2-CG1 4.21Å; L144-T166 HydrophobicContact CD2-CG2 4.18Å; L144-G167 CarbonylContact O-C 3.59Å; L144-G167 WeakPolarHBondContact O-CA 3.41Å; L144-G167 PolarHBondContact O-N 3.45Å; L144-L168 HydrophobicContact CG-CD2 4.26Å; L144-L168 PolarHBondContact O-N 3.34Å
145	R	96.2	Very high	96.9	Very high	152 Å²	152	47.8 Å²	47.8	57%	0.574	22%	0.223	S	C	*	.			trans	-93.4	-30.4	-173.2	-72.5	171.4	-169.8	-155.4	4.8	113	E120 H143	E120-R145 PolarHBondContact O-N 3.45Å; H143-R145 WeakPolarHBondContact O-CG 3.13Å; H143-R145 PolarHBondContact O-N 2.95Å
146	S	96.9	Very high	96.7	Very high	56 Å²	56	48.7 Å²	48.7	39%	0.392	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	136.4	-177.5	63.5	0	0	0	0	112.9	E120 T121 I122	E120-S146 PolarHBondContact O-N 2.89Å; T121-S146 WeakPolarHBondContact CA-O 3.1Å; T121-S146 WeakPolarHBondContact CG2-OG 3.26Å; I122-S146 PolarHBondContact N-O 3.5Å; I122-S146 VanDerWaalsContact N-O 3.13Å
147	I	98.1	Very high	96.6	Very high	20 Å²	20	51 Å²	51	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.9	161.7	-61.2	173.6	0	0	0	106.3	I122 I138 L144 A151 F152 I163 L168	I122-I147 HydrophobicContact CB-CG1 4.31Å; I122-I147 HydrophobicContact CB-CG2 4.33Å; I122-I147 HydrophobicContact CD1-CD1 4.44Å; I122-I147 HydrophobicContact CD1-CG1 4.19Å; I122-I147 HydrophobicContact CG1-CG1 4.48Å; I122-I147 HydrophobicContact CG2-CG2 4.44Å; I138-I147 HydrophobicContact CD1-CD1 4.26Å; L144-I147 HydrophobicContact CD1-CG1 4.47Å; L144-I147 HydrophobicContact CD2-CD1 4.26Å; L144-I147 HydrophobicContact CD2-CG1 4.21Å; I147-A151 HydrophobicContact CG2-CB 3.57Å; I147-F152 HydrophobicContact CD1-CE2 4.43Å; I147-F152 HydrophobicContact CD1-CZ 4.3Å; I147-F152 HydrophobicContact CG2-CD2 4.45Å; I147-F152 HydrophobicContact CG2-CE2 3.72Å; I147-F152 HydrophobicContact CG2-CZ 4.04Å; I147-I163 HydrophobicContact CD1-CD1 4.03Å; I147-L168 HydrophobicContact CD1-CD1 3.99Å; I147-L168 HydrophobicContact CG1-CD1 4.49Å; I147-L168 HydrophobicContact CG1-CD2 4.23Å
148	H	98	Very high	96.6	Very high	78 Å²	78	48.3 Å²	48.3	36%	0.361	23%	0.234	S	C	.	.			trans	-61.3	141.2	-179.3	-169.5	-83.1	0	0	0	110.7	I122 A124 D150 A151	I122-H148 WeakPolarHBondContact O-CB 3.44Å; I122-H148 PolarHBondContact O-N 3.38Å; A124-H148 HydrophobicContact CB-CB 4.46Å; A124-H148 WeakPolarHBondContact CB-ND1 3.2Å; H148-D150 IonicContact CE1-OD2 3.94Å; H148-D150 PolarHBondContact ND1-N 3.05Å; H148-D150 VanDerWaalsContact ND1-N 3.16Å; H148-D150 IonicContact ND1-OD2 3.36Å; H148-D150 PolarHBondContact O-N 2.98Å; H148-D150 VanDerWaalsContact O-N 3.11Å; H148-A151 WeakPolarHBondContact O-CB 3.26Å; H148-A151 PolarHBondContact O-N 3.46Å
149	P	96.3	Very high	96.6	Very high	57 Å²	57	54.5 Å²	54.5	37%	0.37	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.2	-177.5	-29.6	36.4	0	0	0	115.3	D173	P149-D173 HydrophobicContact CB-CB 3.98Å
150	D	96.5	Very high	96.6	Very high	31 Å²	31	56.9 Å²	56.9	17%	0.166	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	8.1	175.4	-71.1	-71.6	0	0	0	115	A124 F125 H148 F152 K176	A124-D150 HydrophobicContact CB-CB 4.37Å; F125-D150 VanDerWaalsContact CA-O 3.3Å; F125-D150 WeakPolarHBondContact CA-O 3.37Å; F125-D150 HydrophobicContact CD1-CB 3.91Å; F125-D150 HydrophobicContact CE1-CB 3.51Å; F125-D150 HydrophobicContact CZ-CB 3.9Å; F125-D150 PolarHBondContact N-O 3.4Å; H148-D150 IonicContact CE1-OD2 3.94Å; H148-D150 PolarHBondContact ND1-N 3.05Å; H148-D150 VanDerWaalsContact ND1-N 3.16Å; H148-D150 IonicContact ND1-OD2 3.36Å; H148-D150 PolarHBondContact O-N 2.98Å; H148-D150 VanDerWaalsContact O-N 3.11Å; D150-F152 VanDerWaalsContact C-N 3.31Å; D150-F152 PolarHBondContact O-N 3.14Å; D150-K176 WeakPolarHBondContact OD1-CD 3.39Å; D150-K176 VanDerWaalsContact OD1-CE 3.29Å; D150-K176 WeakPolarHBondContact OD1-CE 3.2Å; D150-K176 IonicContact OD1-NZ 3.93Å; D150-K176 PolarHBondContact OD1-NZ 3.08Å; D150-K176 IonicContact OD2-NZ 3.01Å; D150-K176 PolarHBondContact OD2-NZ 2.62Å; D150-K176 VanDerWaalsContact OD2-NZ 3.09Å
151	A	97.5	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-35.5	-175.9	0	0	0	0	0	113	I122 F127 I147 H148	I122-A151 HydrophobicContact CG2-CB 4.17Å; F127-A151 WeakPolarHBondContact CB-O 3.33Å; F127-A151 PolarHBondContact N-O 2.97Å; I147-A151 HydrophobicContact CG2-CB 3.57Å; H148-A151 WeakPolarHBondContact O-CB 3.26Å; H148-A151 PolarHBondContact O-N 3.46Å
152	F	96.5	Very high	96.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.009	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	46	-174.7	-54.5	-63.5	0	0	0	113.1	F127 I136 I138 I147 D150 I155 L161 I163 K176 I177	F127-F152 HydrophobicContact CB-CD1 4.29Å; F127-F152 AromaticContact CD2-CD1 3.79Å; F127-F152 HydrophobicContact CD2-CD1 3.79Å; F127-F152 AromaticContact CD2-CE1 3.62Å; F127-F152 HydrophobicContact CD2-CE1 3.62Å; F127-F152 HydrophobicContact CE2-CD1 4.42Å; F127-F152 AromaticContact CE2-CE1 3.79Å; F127-F152 HydrophobicContact CE2-CE1 3.79Å; F127-F152 HydrophobicContact CG-CD1 4.23Å; F127-F152 HydrophobicContact CG-CE1 4.31Å; I136-F152 HydrophobicContact CD1-CD1 3.89Å; I136-F152 HydrophobicContact CD1-CE1 3.95Å; I136-F152 HydrophobicContact CG2-CE1 4.4Å; I138-F152 HydrophobicContact CD1-CZ 4.25Å; I147-F152 HydrophobicContact CD1-CE2 4.43Å; I147-F152 HydrophobicContact CD1-CZ 4.3Å; I147-F152 HydrophobicContact CG2-CD2 4.45Å; I147-F152 HydrophobicContact CG2-CE2 3.72Å; I147-F152 HydrophobicContact CG2-CZ 4.04Å; D150-F152 VanDerWaalsContact C-N 3.31Å; D150-F152 PolarHBondContact O-N 3.14Å; F152-I155 HydrophobicContact CB-CD1 3.9Å; F152-I155 HydrophobicContact CD1-CD1 4.27Å; F152-L161 HydrophobicContact CE1-CD1 4.25Å; F152-L161 HydrophobicContact CZ-CD1 4.22Å; F152-I163 HydrophobicContact CZ-CD1 4.44Å; F152-K176 CarbonylContact O-C 3.54Å; F152-I177 HydrophobicContact CB-CD1 4.03Å; F152-I177 HydrophobicContact CB-CG1 3.62Å; F152-I177 HydrophobicContact CG-CD1 4.47Å; F152-I177 WeakPolarHBondContact O-CA 3.26Å; F152-I177 WeakPolarHBondContact O-CG1 3.29Å; F152-I177 PolarHBondContact O-N 2.96Å
153	R	95.1	Very high	96.9	Very high	121 Å²	121	47.2 Å²	47.2	46%	0.457	23%	0.225	S	C	.	.			trans	-81	130.8	-176.5	-179.3	176.1	179.6	-179.8	1.2	111.8	F125 S128 D129 I155 K176	F125-R153 HydrophobicContact CD1-CB 4.32Å; S128-R153 VanDerWaalsContact CA-O 3.29Å; S128-R153 WeakPolarHBondContact CA-O 3.48Å; S128-R153 PolarHBondContact OG-O 3.46Å; D129-R153 PolarHBondContact N-O 2.98Å; D129-R153 VanDerWaalsContact N-O 3.15Å; R153-I155 PolarHBondContact O-N 3.47Å; R153-K176 WeakPolarHBondContact CA-O 3.37Å; R153-K176 HydrophobicContact CB-CB 4.46Å
154	N	92.4	Very high	97	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.353	21%	0.209	S	C	.	.	S	Bend	trans	55.9	52.2	168	-168	36.2	0	0	0	114.3	D129 V156 K176	D129-N154 WeakPolarHBondContact OD1-CB 3.39Å; D129-N154 PolarHBondContact OD1-ND2 3.2Å; N154-V156 WeakPolarHBondContact OD1-CG1 3.35Å; N154-K176 PolarHBondContact N-O 3.4Å
155	I	95.8	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.			trans	-107.7	72.1	176.8	48.6	174.3	0	0	0	109.7	F127 L130 L133 I136 F152 R153 S157 L158 I177	F127-I155 WeakPolarHBondContact O-CG2 3.41Å; L130-I155 HydrophobicContact CB-CG2 4.39Å; L133-I155 HydrophobicContact CD2-CG2 4.03Å; I136-I155 HydrophobicContact CD1-CD1 3.93Å; F152-I155 HydrophobicContact CB-CD1 3.9Å; F152-I155 HydrophobicContact CD1-CD1 4.27Å; R153-I155 PolarHBondContact O-N 3.47Å; I155-S157 VanDerWaalsContact C-N 3.25Å; I155-S157 PolarHBondContact O-N 3.27Å; I155-L158 HydrophobicContact CB-CB 4.46Å; I155-L158 HydrophobicContact CD1-CB 4.21Å; I155-L158 HydrophobicContact CD1-CD1 4.29Å; I155-L158 HydrophobicContact CD1-CD2 3.55Å; I155-L158 HydrophobicContact CD1-CG 4.23Å; I155-L158 HydrophobicContact CG1-CB 4.29Å; I155-L158 HydrophobicContact CG1-CD2 4.36Å; I155-L158 WeakPolarHBondContact O-CB 3.37Å; I155-L158 PolarHBondContact O-N 3.2Å; I155-I177 HydrophobicContact CD1-CG1 4.24Å; I155-I177 HydrophobicContact CD1-CG2 4.17Å; I155-I177 HydrophobicContact CG1-CB 4.31Å; I155-I177 HydrophobicContact CG1-CG1 4.33Å; I155-I177 HydrophobicContact CG1-CG2 3.8Å; I155-I177 PolarHBondContact N-O 3.46Å
156	V	94.9	Very high	97.1	Very high	53 Å²	53	39.1 Å²	39.1	32%	0.321	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.2	-165.8	-63	0	0	0	0	114.9	N154 S179 A180	N154-V156 WeakPolarHBondContact OD1-CG1 3.35Å; V156-S179 CarbonylContact O-C 3.59Å; V156-S179 WeakPolarHBondContact O-CA 3.4Å; V156-A180 PolarHBondContact O-N 3.15Å
157	S	96.7	Very high	97.1	Very high	47 Å²	47	36.8 Å²	36.8	33%	0.329	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	3.2	-178.7	-60.8	0	0	0	0	113.8	P131 L133 I155 R159	P131-S157 WeakPolarHBondContact O-CB 3.38Å; P131-S157 PolarHBondContact O-OG 3.03Å; L133-S157 CarbonylContact O-C 3.25Å; L133-S157 VanDerWaalsContact O-C 3.25Å; I155-S157 VanDerWaalsContact C-N 3.25Å; I155-S157 PolarHBondContact O-N 3.27Å; S157-R159 PolarHBondContact O-N 3.28Å
158	L	97.9	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.			trans	-60.9	123.1	-175.4	-169	74.1	0	0	0	110.4	L133 I136 I155 L161 I177 S179 A181 F184	L133-L158 HydrophobicContact CG-CD1 4.45Å; L133-L158 WeakPolarHBondContact O-CA 3.46Å; L133-L158 PolarHBondContact O-N 3.18Å; L133-L158 VanDerWaalsContact O-N 3.08Å; I136-L158 HydrophobicContact CB-CD1 4.4Å; I136-L158 HydrophobicContact CD1-CD1 3.83Å; I136-L158 HydrophobicContact CD1-CD2 4.5Å; I136-L158 HydrophobicContact CG1-CD1 3.75Å; I155-L158 HydrophobicContact CB-CB 4.46Å; I155-L158 HydrophobicContact CD1-CB 4.21Å; I155-L158 HydrophobicContact CD1-CD1 4.29Å; I155-L158 HydrophobicContact CD1-CD2 3.55Å; I155-L158 HydrophobicContact CD1-CG 4.23Å; I155-L158 HydrophobicContact CG1-CB 4.29Å; I155-L158 HydrophobicContact CG1-CD2 4.36Å; I155-L158 WeakPolarHBondContact O-CB 3.37Å; I155-L158 PolarHBondContact O-N 3.2Å; L158-L161 HydrophobicContact CD2-CB 3.96Å; L158-I177 HydrophobicContact CD2-CG2 4.12Å; L158-S179 WeakPolarHBondContact O-CB 3.39Å; L158-S179 PolarHBondContact O-OG 2.69Å; L158-A181 VanDerWaalsContact O-CB 3.28Å; L158-A181 WeakPolarHBondContact O-CB 3.34Å; L158-F184 HydrophobicContact CB-CE2 4.17Å; L158-F184 HydrophobicContact CD2-CE2 4.04Å; L158-F184 HydrophobicContact CD2-CZ 4Å; L158-F184 HydrophobicContact CG-CE2 4.1Å; L158-F184 HydrophobicContact CG-CZ 4.44Å; L158-F184 WeakPolarHBondContact O-CD2 3.36Å; L158-F184 WeakPolarHBondContact O-CE2 3.5Å
159	R	97.8	Very high	97	Very high	130 Å²	130	41 Å²	41	49%	0.491	20%	0.195	S	C	.	.			trans	-109.2	-29.2	179.4	179.7	175.3	163.2	-117.3	0.9	112.1	A134 S157 A181 F184 L185	A134-R159 WeakPolarHBondContact O-CA 3.29Å; A134-R159 PolarHBondContact O-N 3.37Å; S157-R159 PolarHBondContact O-N 3.28Å; R159-A181 HydrophobicContact CB-CB 4.14Å; R159-F184 CarbonylContact O-C 3.52Å; R159-F184 WeakPolarHBondContact O-CA 3.26Å; R159-L185 PolarHBondContact O-N 3.35Å
160	R	98.6	Very high	97	Very high	63 Å²	63	44.9 Å²	44.9	24%	0.238	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	127.6	179.4	-174.8	-173	-51	-77.8	-5.4	111	A134 E135 I136 L185	A134-R160 PolarHBondContact O-N 2.93Å; E135-R160 WeakPolarHBondContact CA-O 3.47Å; E135-R160 HydrophobicContact CG-CB 4.05Å; E135-R160 HydrophobicContact CG-CG 4.35Å; E135-R160 VanDerWaalsContact OE2-CD 3.29Å; E135-R160 WeakPolarHBondContact OE2-CD 3.45Å; E135-R160 IonicContact OE2-NE 2.92Å; E135-R160 PolarHBondContact OE2-NE 3.14Å; I136-R160 PolarHBondContact N-O 3.03Å; R160-L185 WeakPolarHBondContact CA-O 3.19Å; R160-L185 HydrophobicContact CG-CD2 4.37Å
161	L	98.6	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	113.1	169	174.5	59.2	0	0	0	108.9	I136 F152 L158 I163 L174 I177 F184 L185 F186 D187	I136-L161 HydrophobicContact CB-CD1 3.83Å; I136-L161 HydrophobicContact CD1-CD1 4.49Å; I136-L161 HydrophobicContact CG2-CD1 3.87Å; I136-L161 WeakPolarHBondContact O-CA 3.17Å; F152-L161 HydrophobicContact CE1-CD1 4.25Å; F152-L161 HydrophobicContact CZ-CD1 4.22Å; L158-L161 HydrophobicContact CD2-CB 3.96Å; L161-I163 HydrophobicContact CD1-CD1 4.23Å; L161-I163 HydrophobicContact CD1-CG1 4.12Å; L161-I163 HydrophobicContact CG-CD1 4.39Å; L161-I163 HydrophobicContact CG-CG1 4.44Å; L161-L174 HydrophobicContact CD2-CD2 3.79Å; L161-I177 HydrophobicContact CD2-CD1 4.08Å; L161-F184 HydrophobicContact CB-CZ 4.45Å; L161-L185 PolarHBondContact N-O 3.43Å; L161-L185 VanDerWaalsContact N-O 3.11Å; L161-F186 HydrophobicContact CB-CD2 4.15Å; L161-F186 HydrophobicContact CD2-CD2 3.97Å; L161-F186 HydrophobicContact CD2-CE2 3.76Å; L161-F186 HydrophobicContact CG-CD2 4.08Å; L161-F186 HydrophobicContact CG-CE2 4.04Å; L161-D187 PolarHBondContact O-N 3.06Å
162	T	98.8	Very high	97	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.7	178.8	-57.6	0	0	0	0	109.8	I136 E137 I138 T139 D187	I136-T162 PolarHBondContact O-N 3.36Å; E137-T162 CarbonylContact C-O 3.05Å; E137-T162 WeakPolarHBondContact CA-O 3.32Å; E137-T162 HydrophobicContact CG-CG2 4.18Å; I138-T162 PolarHBondContact N-O 2.95Å; T139-T162 HydrophobicContact CG2-CG2 4.12Å; T162-D187 CarbonylContact C-O 3.29Å; T162-D187 VanDerWaalsContact CA-O 3.32Å; T162-D187 WeakPolarHBondContact CA-O 3.34Å; T162-D187 HydrophobicContact CG2-CB 4.17Å
163	I	98.4	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	107.5	174	-60.1	172.2	0	0	0	107.3	I138 I147 F152 L161 T166 L168 P172 D187 L188 Q189 N191	I138-I163 HydrophobicContact CD1-CG1 4.46Å; I138-I163 CarbonylContact O-C 3.08Å; I138-I163 WeakPolarHBondContact O-CA 3.39Å; I147-I163 HydrophobicContact CD1-CD1 4.03Å; F152-I163 HydrophobicContact CZ-CD1 4.44Å; L161-I163 HydrophobicContact CD1-CD1 4.23Å; L161-I163 HydrophobicContact CD1-CG1 4.12Å; L161-I163 HydrophobicContact CG-CD1 4.39Å; L161-I163 HydrophobicContact CG-CG1 4.44Å; I163-T166 HydrophobicContact CG2-CG2 3.93Å; I163-L168 HydrophobicContact CG2-CD1 3.77Å; I163-P172 HydrophobicContact CD1-CB 4.34Å; I163-P172 HydrophobicContact CD1-CG 4.09Å; I163-D187 PolarHBondContact N-O 3.48Å; I163-L188 HydrophobicContact CB-CD1 3.77Å; I163-L188 HydrophobicContact CG2-CD1 3.87Å; I163-L188 WeakPolarHBondContact O-CA 3.44Å; I163-Q189 PolarHBondContact O-N 2.98Å; I163-N191 PolarHBondContact O-ND2 3.42Å
164	S	98.4	Very high	97	Very high	19 Å²	19	41.9 Å²	41.9	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.1	-175	177.4	0	0	0	0	115.2	I138 T139 K140 T166 Q189	I138-S164 PolarHBondContact O-N 3.47Å; T139-S164 CarbonylContact C-O 3.5Å; T139-S164 VanDerWaalsContact CA-O 3.25Å; T139-S164 WeakPolarHBondContact CA-O 3.38Å; K140-S164 PolarHBondContact N-O 2.77Å; S164-T166 VanDerWaalsContact C-N 3.34Å; S164-T166 PolarHBondContact O-N 3.33Å; S164-Q189 CarbonylContact C-O 3.42Å; S164-Q189 WeakPolarHBondContact CA-O 3.49Å; S164-Q189 WeakPolarHBondContact CB-O 3.49Å; S164-Q189 PolarHBondContact OG-O 3.21Å
165	N	97.6	Very high	97.1	Very high	56 Å²	56	41 Å²	41	30%	0.299	20%	0.202	S	C	.	.	S	Bend	trans	54.3	51.6	177.5	-171.6	14.3	0	0	0	111.5	K140 S141 Q189 D190 N191	K140-N165 CarbonylContact C-O 3.6Å; K140-N165 WeakPolarHBondContact CA-O 3.2Å; S141-N165 PolarHBondContact N-O 3.13Å; N165-Q189 PolarHBondContact N-O 2.86Å; N165-Q189 VanDerWaalsContact N-O 3.07Å; N165-D190 WeakPolarHBondContact CA-O 3.32Å; N165-D190 HydrophobicContact CB-CB 4.36Å; N165-N191 PolarHBondContact N-OD1 2.95Å
166	T	98.1	Very high	97.1	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.037	22%	0.217	C	C	.	.			trans	-111.5	169.7	178.2	73.1	0	0	0	0	111.9	I138 S141 L144 I163 S164 L168 N191	I138-T166 HydrophobicContact CG2-CG2 4.4Å; S141-T166 WeakPolarHBondContact O-CA 3.12Å; L144-T166 HydrophobicContact CD2-CG2 4.18Å; I163-T166 HydrophobicContact CG2-CG2 3.93Å; S164-T166 VanDerWaalsContact C-N 3.34Å; S164-T166 PolarHBondContact O-N 3.33Å; T166-L168 VanDerWaalsContact C-N 3.28Å; T166-L168 PolarHBondContact O-N 2.9Å; T166-L168 VanDerWaalsContact OG1-CG 3.3Å; T166-L168 WeakPolarHBondContact OG1-CG 3.39Å; T166-L168 PolarHBondContact OG1-N 3.43Å; T166-N191 WeakPolarHBondContact CB-OD1 3.39Å; T166-N191 PolarHBondContact N-OD1 3.44Å; T166-N191 PolarHBondContact OG1-OD1 2.97Å
167	G	96.8	Very high	97.1	Very high	7 Å²	7	41.8 Å²	41.8	7%	0.072	20%	0.202	C	C	.	.			trans	-85.6	9.7	176	0	0	0	0	0	114.7	K142 L144 R169	K142-G167 WeakPolarHBondContact O-CA 3.4Å; K142-G167 PolarHBondContact O-N 3.14Å; L144-G167 CarbonylContact O-C 3.59Å; L144-G167 WeakPolarHBondContact O-CA 3.41Å; L144-G167 PolarHBondContact O-N 3.45Å; G167-R169 PolarHBondContact O-N 3.36Å
168	L	97.8	Very high	97	Very high	4 Å²	4	45 Å²	45	2%	0.021	21%	0.211	C	C	.	.			trans	-63.8	132.7	-172.6	-70.2	175.1	0	0	0	110.8	L144 I147 I163 T166 N193 I194	L144-L168 HydrophobicContact CG-CD2 4.26Å; L144-L168 PolarHBondContact O-N 3.34Å; I147-L168 HydrophobicContact CD1-CD1 3.99Å; I147-L168 HydrophobicContact CG1-CD1 4.49Å; I147-L168 HydrophobicContact CG1-CD2 4.23Å; I163-L168 HydrophobicContact CG2-CD1 3.77Å; T166-L168 VanDerWaalsContact C-N 3.28Å; T166-L168 PolarHBondContact O-N 2.9Å; T166-L168 VanDerWaalsContact OG1-CG 3.3Å; T166-L168 WeakPolarHBondContact OG1-CG 3.39Å; T166-L168 PolarHBondContact OG1-N 3.43Å; L168-N193 CarbonylContact O-C 3.38Å; L168-N193 WeakPolarHBondContact O-CB 3.14Å; L168-I194 HydrophobicContact CB-CD1 4.06Å; L168-I194 HydrophobicContact CB-CG1 4.25Å; L168-I194 VanDerWaalsContact O-CG1 3.27Å; L168-I194 WeakPolarHBondContact O-CG1 3.44Å
169	R	96.2	Very high	96.9	Very high	184 Å²	184	45 Å²	45	69%	0.694	21%	0.211	S	C	*	.			trans	-102	-26.5	175.3	-60.5	-173.6	177	-162.3	-2.5	112.8	G167 N193	G167-R169 PolarHBondContact O-N 3.36Å; R169-N193 WeakPolarHBondContact CA-O 3.04Å; R169-N193 HydrophobicContact CG-CB 4.03Å
170	I	96.2	Very high	96.8	Very high	138 Å²	138	41.3 Å²	41.3	71%	0.708	21%	0.209	S	C	*	.	S	Bend	trans	-110.6	139.4	-176.9	-57.1	174.2	0	0	0	107.7
171	F	97.5	Very high	96.6	Very high	17 Å²	17	39.1 Å²	39.1	8%	0.075	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-59.8	132.6	174	-163.3	-81.9	0	0	0	109.9	L174 F186 L188 I194 V197 P198 A201 F202 L215	F171-L174 HydrophobicContact CE1-CD1 4.07Å; F171-F186 AromaticContact CZ-CE1 3.88Å; F171-F186 HydrophobicContact CZ-CE1 3.88Å; F171-F186 HydrophobicContact CZ-CZ 4.22Å; F171-L188 HydrophobicContact CD2-CD2 3.9Å; F171-L188 HydrophobicContact CE2-CD2 3.53Å; F171-L188 HydrophobicContact CZ-CD2 4.17Å; F171-I194 HydrophobicContact CB-CG2 4.49Å; F171-I194 HydrophobicContact CD2-CG2 4.23Å; F171-V197 HydrophobicContact CE2-CG1 4.45Å; F171-P198 HydrophobicContact CB-CG 3.89Å; F171-P198 HydrophobicContact CD1-CG 4.43Å; F171-P198 HydrophobicContact CG-CG 4.22Å; F171-A201 HydrophobicContact CD1-CB 4.07Å; F171-A201 HydrophobicContact CE1-CB 3.81Å; F171-A201 HydrophobicContact CZ-CB 4.2Å; F171-F202 HydrophobicContact CE1-CE1 4.44Å; F171-F202 HydrophobicContact CE1-CZ 4.44Å; F171-F202 HydrophobicContact CE2-CZ 4.3Å; F171-F202 AromaticContact CZ-CE1 3.81Å; F171-F202 HydrophobicContact CZ-CE1 3.81Å; F171-F202 HydrophobicContact CZ-CE2 4.38Å; F171-F202 AromaticContact CZ-CZ 3.6Å; F171-F202 HydrophobicContact CZ-CZ 3.6Å; F171-L215 HydrophobicContact CE2-CD2 4.09Å; F171-L215 HydrophobicContact CZ-CD2 4.38Å
172	P	96.6	Very high	96.4	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.052	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64.2	140.7	-177.1	26.2	-34.6	0	0	0	111.7	I163 L174 F186	I163-P172 HydrophobicContact CD1-CB 4.34Å; I163-P172 HydrophobicContact CD1-CG 4.09Å; P172-L174 HydrophobicContact CB-CD2 4.35Å; P172-L174 HydrophobicContact CG-CD2 4.33Å; P172-L174 PolarHBondContact O-N 3.42Å; P172-F186 HydrophobicContact CG-CZ 4.38Å
173	D	96.1	Very high	96.1	Very high	65 Å²	65	49.9 Å²	49.9	35%	0.348	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-75.7	118.6	174.1	-172.2	-13	0	0	0	110	P149 S175	P149-D173 HydrophobicContact CB-CB 3.98Å; D173-S175 WeakPolarHBondContact OD1-CB 3.49Å; D173-S175 PolarHBondContact OD1-N 2.91Å; D173-S175 PolarHBondContact OD1-OG 3.22Å
174	L	95.9	Very high	96.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.253	C	S	.	.			trans	-107.3	3.4	-177.2	-56.5	179.9	0	0	0	112.5	L161 F171 P172 K176 I177 F186 F202 G204 L205	L161-L174 HydrophobicContact CD2-CD2 3.79Å; F171-L174 HydrophobicContact CE1-CD1 4.07Å; P172-L174 HydrophobicContact CB-CD2 4.35Å; P172-L174 HydrophobicContact CG-CD2 4.33Å; P172-L174 PolarHBondContact O-N 3.42Å; L174-K176 PolarHBondContact O-N 2.83Å; L174-K176 VanDerWaalsContact O-N 3.16Å; L174-I177 HydrophobicContact CB-CD1 4.04Å; L174-I177 HydrophobicContact CD2-CD1 3.75Å; L174-I177 HydrophobicContact CG-CD1 4.47Å; L174-I177 PolarHBondContact O-N 2.91Å; L174-F186 HydrophobicContact CD1-CD2 4.16Å; L174-F186 HydrophobicContact CD1-CE1 4.2Å; L174-F186 HydrophobicContact CD1-CE2 3.7Å; L174-F186 HydrophobicContact CD1-CZ 3.71Å; L174-F186 HydrophobicContact CD2-CE2 4.11Å; L174-F202 HydrophobicContact CD1-CD1 4.24Å; L174-F202 HydrophobicContact CD1-CE1 4.49Å; L174-G204 CarbonylContact O-C 3.55Å; L174-L205 HydrophobicContact CB-CB 4.33Å; L174-L205 HydrophobicContact CB-CD1 4.14Å; L174-L205 HydrophobicContact CD1-CD1 4.12Å; L174-L205 HydrophobicContact CD1-CD2 4.05Å; L174-L205 HydrophobicContact CG-CD1 4.5Å
175	S	94.8	Very high	96.1	Very high	47 Å²	47	49.9 Å²	49.9	33%	0.329	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.8	-167.1	63	0	0	0	0	115.4	D173 R203	D173-S175 WeakPolarHBondContact OD1-CB 3.49Å; D173-S175 PolarHBondContact OD1-N 2.91Å; D173-S175 PolarHBondContact OD1-OG 3.22Å; S175-R203 WeakPolarHBondContact CA-O 3.3Å
176	K	95.5	Very high	96.1	Very high	70 Å²	70	47.2 Å²	47.2	30%	0.304	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	5.1	-172.9	-62.7	172.2	-175.6	166.2	0	113.9	D150 F152 R153 N154 L174	D150-K176 WeakPolarHBondContact OD1-CD 3.39Å; D150-K176 VanDerWaalsContact OD1-CE 3.29Å; D150-K176 WeakPolarHBondContact OD1-CE 3.2Å; D150-K176 IonicContact OD1-NZ 3.93Å; D150-K176 PolarHBondContact OD1-NZ 3.08Å; D150-K176 IonicContact OD2-NZ 3.01Å; D150-K176 PolarHBondContact OD2-NZ 2.62Å; D150-K176 VanDerWaalsContact OD2-NZ 3.09Å; F152-K176 CarbonylContact O-C 3.54Å; R153-K176 WeakPolarHBondContact CA-O 3.37Å; R153-K176 HydrophobicContact CB-CB 4.46Å; N154-K176 PolarHBondContact N-O 3.4Å; L174-K176 PolarHBondContact O-N 2.83Å; L174-K176 VanDerWaalsContact O-N 3.16Å
177	I	95.3	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.			trans	-71.9	-55.2	-177.2	-67.8	178	0	0	0	111.4	F152 I155 L158 L161 L174 S179 L205	F152-I177 HydrophobicContact CB-CD1 4.03Å; F152-I177 HydrophobicContact CB-CG1 3.62Å; F152-I177 HydrophobicContact CG-CD1 4.47Å; F152-I177 WeakPolarHBondContact O-CA 3.26Å; F152-I177 WeakPolarHBondContact O-CG1 3.29Å; F152-I177 PolarHBondContact O-N 2.96Å; I155-I177 HydrophobicContact CD1-CG1 4.24Å; I155-I177 HydrophobicContact CD1-CG2 4.17Å; I155-I177 HydrophobicContact CG1-CB 4.31Å; I155-I177 HydrophobicContact CG1-CG1 4.33Å; I155-I177 HydrophobicContact CG1-CG2 3.8Å; I155-I177 PolarHBondContact N-O 3.46Å; L158-I177 HydrophobicContact CD2-CG2 4.12Å; L161-I177 HydrophobicContact CD2-CD1 4.08Å; L174-I177 HydrophobicContact CB-CD1 4.04Å; L174-I177 HydrophobicContact CD2-CD1 3.75Å; L174-I177 HydrophobicContact CG-CD1 4.47Å; L174-I177 PolarHBondContact O-N 2.91Å; I177-S179 PolarHBondContact O-N 3.48Å; I177-L205 HydrophobicContact CB-CD1 4.46Å; I177-L205 HydrophobicContact CD1-CD1 3.53Å; I177-L205 HydrophobicContact CG2-CD1 4.27Å; I177-L205 VanDerWaalsContact CG2-O 3.3Å; I177-L205 WeakPolarHBondContact CG2-O 3.41Å
178	Q	93.9	Very high	96.2	Very high	113 Å²	113	47.2 Å²	47.2	53%	0.528	24%	0.235	S	C	.	.			trans	55.3	40.9	179.1	-58	-176.2	-11.6	0	0	114.7	G204	Q178-G204 VanDerWaalsContact CA-O 3.31Å; Q178-G204 WeakPolarHBondContact CA-O 3.46Å; Q178-G204 PolarHBondContact N-O 3.09Å
179	S	96.2	Very high	96.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-61.3	142.9	-180	176.5	0	0	0	0	112.4	V156 L158 I177 A181 L205 C206 T207	V156-S179 CarbonylContact O-C 3.59Å; V156-S179 WeakPolarHBondContact O-CA 3.4Å; L158-S179 WeakPolarHBondContact O-CB 3.39Å; L158-S179 PolarHBondContact O-OG 2.69Å; I177-S179 PolarHBondContact O-N 3.48Å; S179-A181 WeakPolarHBondContact OG-CB 3.16Å; S179-A181 PolarHBondContact OG-N 2.94Å; S179-A181 VanDerWaalsContact OG-N 3.09Å; S179-L205 PolarHBondContact N-O 3.33Å; S179-L205 VanDerWaalsContact N-O 3.08Å; S179-C206 CarbonylContact O-C 3.58Å; S179-C206 WeakPolarHBondContact O-CA 3.3Å; S179-C206 PolarHBondContact O-SG 3.32Å; S179-T207 PolarHBondContact O-N 3.16Å; S179-T207 PolarHBondContact O-OG1 2.9Å
180	A	95.6	Very high	96.3	Very high	54 Å²	54	42.1 Å²	42.1	45%	0.446	22%	0.221	S	C	.	.			trans	-107.1	3.8	171.7	0	0	0	0	0	112.7	V156	V156-A180 PolarHBondContact O-N 3.15Å
181	A	94.3	Very high	96.3	Very high	16 Å²	16	35.5 Å²	35.5	13%	0.132	19%	0.187	C	C	.	.			trans	-66.6	142.2	-177.7	0	0	0	0	0	112.1	L158 R159 S179	L158-A181 VanDerWaalsContact O-CB 3.28Å; L158-A181 WeakPolarHBondContact O-CB 3.34Å; R159-A181 HydrophobicContact CB-CB 4.14Å; S179-A181 WeakPolarHBondContact OG-CB 3.16Å; S179-A181 PolarHBondContact OG-N 2.94Å; S179-A181 VanDerWaalsContact OG-N 3.09Å
182	R	93.7	Very high	96.3	Very high	210 Å²	210	40.4 Å²	40.4	79%	0.792	21%	0.213	S	C	*	.	S	Bend	trans	-85.3	148.1	168.9	-64.7	-175.9	-176.7	-175.8	1.5	109.7
183	G	94	Very high	96.3	Very high	32 Å²	32	43.2 Å²	43.2	33%	0.33	23%	0.227	S	C	.	.	S	Bend	trans	71.7	32.4	178.5	0	0	0	0	0	113	L185	G183-L185 PolarHBondContact O-N 3.29Å
184	F	97.5	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.			trans	-61.8	133.4	-178.8	-168.5	-77.3	0	0	0	110.6	L158 R159 L161 F186 L205 C206 I210 E211 E212	L158-F184 HydrophobicContact CB-CE2 4.17Å; L158-F184 HydrophobicContact CD2-CE2 4.04Å; L158-F184 HydrophobicContact CD2-CZ 4Å; L158-F184 HydrophobicContact CG-CE2 4.1Å; L158-F184 HydrophobicContact CG-CZ 4.44Å; L158-F184 WeakPolarHBondContact O-CD2 3.36Å; L158-F184 WeakPolarHBondContact O-CE2 3.5Å; R159-F184 CarbonylContact O-C 3.52Å; R159-F184 WeakPolarHBondContact O-CA 3.26Å; L161-F184 HydrophobicContact CB-CZ 4.45Å; F184-F186 HydrophobicContact CE1-CB 4.01Å; F184-L205 HydrophobicContact CE1-CD1 3.77Å; F184-L205 HydrophobicContact CE1-CD2 3.94Å; F184-L205 HydrophobicContact CE1-CG 3.91Å; F184-L205 HydrophobicContact CE2-CD1 4.35Å; F184-L205 HydrophobicContact CZ-CD1 3.51Å; F184-L205 HydrophobicContact CZ-CG 4.03Å; F184-C206 HydrophobicContact CB-CB 4.49Å; F184-C206 HydrophobicContact CD2-CB 4.32Å; F184-C206 HydrophobicContact CG-CB 4.32Å; F184-I210 HydrophobicContact CB-CG2 4.46Å; F184-I210 HydrophobicContact CD1-CG2 4.15Å; F184-I210 WeakPolarHBondContact O-CG2 3.4Å; F184-E211 WeakPolarHBondContact O-CB 3.44Å; F184-E211 PolarHBondContact O-N 3.39Å; F184-E212 PolarHBondContact O-N 3.14Å
185	L	98.3	Very high	96.4	Very high	20 Å²	20	44.3 Å²	44.3	11%	0.105	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.4	175.7	-171.1	154	0	0	0	110.1	R159 R160 L161 G183 D187 E212	R159-L185 PolarHBondContact O-N 3.35Å; R160-L185 WeakPolarHBondContact CA-O 3.19Å; R160-L185 HydrophobicContact CG-CD2 4.37Å; L161-L185 PolarHBondContact N-O 3.43Å; L161-L185 VanDerWaalsContact N-O 3.11Å; G183-L185 PolarHBondContact O-N 3.29Å; L185-D187 HydrophobicContact CD2-CB 3.65Å; L185-E212 WeakPolarHBondContact CA-O 3.48Å; L185-E212 HydrophobicContact CD1-CB 4.41Å; L185-E212 HydrophobicContact CG-CB 4.32Å
186	F	98.5	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.3	169.7	-177.1	-113.1	0	0	0	109.8	L161 F171 P172 L174 F184 L188 F202 L205 E212 I213 R214 L215	L161-F186 HydrophobicContact CB-CD2 4.15Å; L161-F186 HydrophobicContact CD2-CD2 3.97Å; L161-F186 HydrophobicContact CD2-CE2 3.76Å; L161-F186 HydrophobicContact CG-CD2 4.08Å; L161-F186 HydrophobicContact CG-CE2 4.04Å; F171-F186 AromaticContact CZ-CE1 3.88Å; F171-F186 HydrophobicContact CZ-CE1 3.88Å; F171-F186 HydrophobicContact CZ-CZ 4.22Å; P172-F186 HydrophobicContact CG-CZ 4.38Å; L174-F186 HydrophobicContact CD1-CD2 4.16Å; L174-F186 HydrophobicContact CD1-CE1 4.2Å; L174-F186 HydrophobicContact CD1-CE2 3.7Å; L174-F186 HydrophobicContact CD1-CZ 3.71Å; L174-F186 HydrophobicContact CD2-CE2 4.11Å; F184-F186 HydrophobicContact CE1-CB 4.01Å; F186-L188 HydrophobicContact CE1-CB 3.73Å; F186-L188 HydrophobicContact CE1-CD2 4.4Å; F186-L188 HydrophobicContact CZ-CB 3.92Å; F186-L188 HydrophobicContact CZ-CD1 4.47Å; F186-L188 HydrophobicContact CZ-CD2 4.46Å; F186-F202 HydrophobicContact CD1-CD1 4.43Å; F186-F202 AromaticContact CD1-CE1 3.64Å; F186-F202 HydrophobicContact CD1-CE1 3.64Å; F186-F202 AromaticContact CE1-CE1 3.77Å; F186-F202 HydrophobicContact CE1-CE1 3.77Å; F186-L205 HydrophobicContact CB-CD2 4.23Å; F186-L205 HydrophobicContact CG-CD2 4.4Å; F186-E212 PolarHBondContact N-O 3.2Å; F186-I213 HydrophobicContact CD1-CG2 4.27Å; F186-R214 PolarHBondContact O-N 3.18Å; F186-L215 HydrophobicContact CD1-CD2 4.24Å; F186-L215 HydrophobicContact CE1-CD2 3.88Å
187	D	98.6	Very high	96.7	Very high	12 Å²	12	42 Å²	42	6%	0.064	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	103	-176.6	-158.8	-27.3	0	0	0	111.4	L161 T162 I163 L185 Q189 R214	L161-D187 PolarHBondContact O-N 3.06Å; T162-D187 CarbonylContact C-O 3.29Å; T162-D187 VanDerWaalsContact CA-O 3.32Å; T162-D187 WeakPolarHBondContact CA-O 3.34Å; T162-D187 HydrophobicContact CG2-CB 4.17Å; I163-D187 PolarHBondContact N-O 3.48Å; L185-D187 HydrophobicContact CD2-CB 3.65Å; D187-Q189 VanDerWaalsContact OD1-CD 3.28Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.33Å; D187-Q189 PolarHBondContact OD1-NE2 3.48Å; D187-Q189 PolarHBondContact OD2-NE2 2.89Å; D187-R214 WeakPolarHBondContact OD2-CD 3.48Å; D187-R214 IonicContact OD2-NH1 3.98Å; D187-R214 PolarHBondContact OD2-NH1 2.85Å
188	L	98.3	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	98.2	174.3	-170.3	73.5	0	0	0	108.7	I163 F171 F186 N191 I194 R214 L215 T216 N218	I163-L188 HydrophobicContact CB-CD1 3.77Å; I163-L188 HydrophobicContact CG2-CD1 3.87Å; I163-L188 WeakPolarHBondContact O-CA 3.44Å; F171-L188 HydrophobicContact CD2-CD2 3.9Å; F171-L188 HydrophobicContact CE2-CD2 3.53Å; F171-L188 HydrophobicContact CZ-CD2 4.17Å; F186-L188 HydrophobicContact CE1-CB 3.73Å; F186-L188 HydrophobicContact CE1-CD2 4.4Å; F186-L188 HydrophobicContact CZ-CB 3.92Å; F186-L188 HydrophobicContact CZ-CD1 4.47Å; F186-L188 HydrophobicContact CZ-CD2 4.46Å; L188-N191 WeakPolarHBondContact CD1-ND2 3.48Å; L188-I194 HydrophobicContact CD1-CD1 4.12Å; L188-I194 HydrophobicContact CD2-CD1 3.91Å; L188-I194 HydrophobicContact CG-CD1 4.33Å; L188-R214 PolarHBondContact N-O 3.44Å; L188-L215 HydrophobicContact CB-CD2 3.85Å; L188-L215 HydrophobicContact CD2-CD2 4.04Å; L188-L215 CarbonylContact O-C 3.59Å; L188-L215 VanDerWaalsContact O-CA 3.27Å; L188-L215 WeakPolarHBondContact O-CA 3.47Å; L188-T216 PolarHBondContact O-N 2.85Å; L188-N218 PolarHBondContact O-ND2 2.75Å
189	Q	97.1	Very high	97	Very high	29 Å²	29	41.3 Å²	41.3	14%	0.136	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.3	-171.5	-84.2	-173.1	77.8	0	0	113.8	I163 S164 N165 D187 N191 T216	I163-Q189 PolarHBondContact O-N 2.98Å; S164-Q189 CarbonylContact C-O 3.42Å; S164-Q189 WeakPolarHBondContact CA-O 3.49Å; S164-Q189 WeakPolarHBondContact CB-O 3.49Å; S164-Q189 PolarHBondContact OG-O 3.21Å; N165-Q189 PolarHBondContact N-O 2.86Å; N165-Q189 VanDerWaalsContact N-O 3.07Å; D187-Q189 VanDerWaalsContact OD1-CD 3.28Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.33Å; D187-Q189 PolarHBondContact OD1-NE2 3.48Å; D187-Q189 PolarHBondContact OD2-NE2 2.89Å; Q189-N191 PolarHBondContact N-ND2 3.25Å; Q189-N191 PolarHBondContact O-N 3.1Å; Q189-N191 VanDerWaalsContact O-N 3.14Å; Q189-N191 PolarHBondContact O-ND2 2.73Å; Q189-N191 VanDerWaalsContact O-ND2 3.11Å; Q189-T216 WeakPolarHBondContact CA-O 3.25Å; Q189-T216 WeakPolarHBondContact CG-OG1 3.21Å; Q189-T216 PolarHBondContact OE1-OG1 3.04Å; Q189-T216 VanDerWaalsContact OE1-OG1 3.04Å
190	D	97.6	Very high	97	Very high	52 Å²	52	44.2 Å²	44.2	28%	0.278	25%	0.245	S	C	.	.	S	Bend	trans	58.8	26.4	172.7	-58.2	-70.1	0	0	0	114.1	N165 I192 T216 R217 N218	N165-D190 WeakPolarHBondContact CA-O 3.32Å; N165-D190 HydrophobicContact CB-CB 4.36Å; D190-I192 PolarHBondContact O-N 3.36Å; D190-T216 PolarHBondContact N-O 3.35Å; D190-R217 VanDerWaalsContact CA-O 3.3Å; D190-R217 WeakPolarHBondContact CA-O 3.41Å; D190-R217 WeakPolarHBondContact OD1-CB 3.46Å; D190-R217 IonicContact OD1-CZ 3.28Å; D190-R217 IonicContact OD1-NE 3.53Å; D190-R217 PolarHBondContact OD1-NE 3.5Å; D190-R217 IonicContact OD1-NH2 2.68Å; D190-R217 IonicContact OD2-CZ 2.72Å; D190-R217 IonicContact OD2-NE 2.64Å; D190-R217 PolarHBondContact OD2-NE 3.26Å; D190-R217 IonicContact OD2-NH2 3.09Å; D190-R217 PolarHBondContact OD2-NH2 3.08Å; D190-N218 PolarHBondContact N-OD1 3.25Å
191	N	97.7	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.			trans	-96.5	80.8	174.1	-58.1	-70.3	0	0	0	109.5	I163 N165 T166 L188 Q189 N193 I194 N218 G219	I163-N191 PolarHBondContact O-ND2 3.42Å; N165-N191 PolarHBondContact N-OD1 2.95Å; T166-N191 WeakPolarHBondContact CB-OD1 3.39Å; T166-N191 PolarHBondContact N-OD1 3.44Å; T166-N191 PolarHBondContact OG1-OD1 2.97Å; L188-N191 WeakPolarHBondContact CD1-ND2 3.48Å; Q189-N191 PolarHBondContact N-ND2 3.25Å; Q189-N191 PolarHBondContact O-N 3.1Å; Q189-N191 VanDerWaalsContact O-N 3.14Å; Q189-N191 PolarHBondContact O-ND2 2.73Å; Q189-N191 VanDerWaalsContact O-ND2 3.11Å; N191-N193 PolarHBondContact O-N 3.45Å; N191-N193 VanDerWaalsContact O-N 3.09Å; N191-I194 HydrophobicContact CB-CD1 3.7Å; N191-I194 HydrophobicContact CB-CG1 4Å; N191-I194 PolarHBondContact O-N 3.32Å; N191-N218 WeakPolarHBondContact CA-OD1 3.23Å; N191-N218 WeakPolarHBondContact CB-OD1 3.45Å; N191-N218 PolarHBondContact N-OD1 3.07Å; N191-N218 WeakPolarHBondContact O-CB 3.47Å; N191-G219 PolarHBondContact O-N 3.39Å
192	I	96.3	Very high	97.2	Very high	120 Å²	120	41.5 Å²	41.5	62%	0.615	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.3	-169.5	63.1	168.4	0	0	0	114.9	D190 G219	D190-I192 PolarHBondContact O-N 3.36Å; I192-G219 VanDerWaalsContact O-CA 3.26Å; I192-G219 WeakPolarHBondContact O-CA 3.47Å
193	N	96.8	Very high	97.3	Very high	66 Å²	66	39.1 Å²	39.1	35%	0.353	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.4	-177.7	-54.8	-56.2	0	0	0	113.2	L168 R169 N191 E195	L168-N193 CarbonylContact O-C 3.38Å; L168-N193 WeakPolarHBondContact O-CB 3.14Å; R169-N193 WeakPolarHBondContact CA-O 3.04Å; R169-N193 HydrophobicContact CG-CB 4.03Å; N191-N193 PolarHBondContact O-N 3.45Å; N191-N193 VanDerWaalsContact O-N 3.09Å; N193-E195 PolarHBondContact O-N 3.02Å
194	I	97.7	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.			trans	-85.1	108.2	174	-59.6	-179.3	0	0	0	108.1	L168 F171 L188 N191 G219 I220	L168-I194 HydrophobicContact CB-CD1 4.06Å; L168-I194 HydrophobicContact CB-CG1 4.25Å; L168-I194 VanDerWaalsContact O-CG1 3.27Å; L168-I194 WeakPolarHBondContact O-CG1 3.44Å; F171-I194 HydrophobicContact CB-CG2 4.49Å; F171-I194 HydrophobicContact CD2-CG2 4.23Å; L188-I194 HydrophobicContact CD1-CD1 4.12Å; L188-I194 HydrophobicContact CD2-CD1 3.91Å; L188-I194 HydrophobicContact CG-CD1 4.33Å; N191-I194 HydrophobicContact CB-CD1 3.7Å; N191-I194 HydrophobicContact CB-CG1 4Å; N191-I194 PolarHBondContact O-N 3.32Å; I194-G219 CarbonylContact O-C 3.56Å; I194-G219 WeakPolarHBondContact O-CA 3.37Å; I194-G219 PolarHBondContact O-N 3.01Å; I194-I220 PolarHBondContact O-N 3.22Å; I194-I220 VanDerWaalsContact O-N 3.14Å
195	E	97.3	Very high	97.1	Very high	90 Å²	90	39 Å²	39	42%	0.421	21%	0.212	S	C	.	.			trans	-96.6	-17.3	-171.3	-56.8	-163.2	161	0	0	114.8	N193 G219 I220 K221 E222	N193-E195 PolarHBondContact O-N 3.02Å; E195-G219 WeakPolarHBondContact CA-O 3.48Å; E195-I220 CarbonylContact O-C 3.33Å; E195-I220 WeakPolarHBondContact O-CA 3.25Å; E195-K221 HydrophobicContact CB-CD 4.42Å; E195-K221 PolarHBondContact O-N 2.91Å; E195-K221 IonicContact OE1-NZ 3.34Å; E195-K221 PolarHBondContact OE1-NZ 2.85Å; E195-K221 WeakPolarHBondContact OE2-CE 3.25Å; E195-K221 IonicContact OE2-NZ 3.7Å; E195-K221 PolarHBondContact OE2-NZ 3.36Å; E195-E222 PolarHBondContact O-N 3.03Å
196	T	98.1	Very high	96.9	Very high	69 Å²	69	39.2 Å²	39.2	42%	0.423	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.2	-174.4	59.2	0	0	0	0	111.7	P198 E222	T196-P198 WeakPolarHBondContact O-CD 3.34Å; T196-E222 WeakPolarHBondContact CA-O 3.38Å
197	V	98.3	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.5	161.3	-173.6	0	0	0	0	107.4	F171 A201 F202 L215 I220 E222 V223 A224 A227	F171-V197 HydrophobicContact CE2-CG1 4.45Å; V197-A201 HydrophobicContact CG1-CB 3.9Å; V197-F202 HydrophobicContact CG1-CE2 3.89Å; V197-F202 HydrophobicContact CG1-CZ 4.46Å; V197-L215 HydrophobicContact CG2-CD1 3.76Å; V197-I220 HydrophobicContact CG2-CD1 3.89Å; V197-I220 HydrophobicContact CG2-CG1 4.48Å; V197-I220 HydrophobicContact CG2-CG2 4.16Å; V197-E222 PolarHBondContact N-O 2.88Å; V197-V223 HydrophobicContact CB-CG1 4.34Å; V197-V223 HydrophobicContact CB-CG2 4.32Å; V197-V223 HydrophobicContact CG2-CG2 4.13Å; V197-A224 VanDerWaalsContact O-CB 3.31Å; V197-A224 WeakPolarHBondContact O-CB 3.48Å; V197-A224 PolarHBondContact O-N 3.43Å; V197-A227 HydrophobicContact CG1-CB 3.98Å
198	P	97.8	Very high	96.4	Very high	50 Å²	50	47.8 Å²	47.8	33%	0.325	26%	0.259	S	S	.	.			trans	-73.2	166	-174.3	30.8	-35.5	0	0	0	112.1	F171 T196 A201 A227	F171-P198 HydrophobicContact CB-CG 3.89Å; F171-P198 HydrophobicContact CD1-CG 4.43Å; F171-P198 HydrophobicContact CG-CG 4.22Å; T196-P198 WeakPolarHBondContact O-CD 3.34Å; P198-A201 HydrophobicContact CG-CB 4.05Å; P198-A201 WeakPolarHBondContact O-CB 3.29Å; P198-A201 PolarHBondContact O-N 3.34Å; P198-A227 WeakPolarHBondContact O-CA 3.44Å
199	A	97.6	Very high	96.3	Very high	48 Å²	48	49.6 Å²	49.6	40%	0.397	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	140.2	172.6	0	0	0	0	0	111	A201 S225 D226	A199-A201 PolarHBondContact O-N 2.84Å; A199-S225 WeakPolarHBondContact CB-O 3.45Å; A199-D226 HydrophobicContact CB-CB 4.42Å
200	N	96.6	Very high	96.3	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	22.6	-179.9	-52.5	-79.4	0	0	0	115.2	F202 R203 D226	N200-F202 PolarHBondContact O-N 2.76Å; N200-R203 HydrophobicContact CB-CB 4.02Å; N200-R203 WeakPolarHBondContact O-CB 3.2Å; N200-R203 PolarHBondContact O-N 3.49Å; N200-D226 PolarHBondContact N-O 3.49Å
201	A	97.6	Very high	96.3	Very high	10 Å²	10	49.5 Å²	49.5	8%	0.083	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-29.9	-174.8	0	0	0	0	0	114.9	F171 V197 P198 A199 A227	F171-A201 HydrophobicContact CD1-CB 4.07Å; F171-A201 HydrophobicContact CE1-CB 3.81Å; F171-A201 HydrophobicContact CZ-CB 4.2Å; V197-A201 HydrophobicContact CG1-CB 3.9Å; P198-A201 HydrophobicContact CG-CB 4.05Å; P198-A201 WeakPolarHBondContact O-CB 3.29Å; P198-A201 PolarHBondContact O-N 3.34Å; A199-A201 PolarHBondContact O-N 2.84Å; A201-A227 PolarHBondContact N-O 2.85Å
202	F	96.9	Very high	96.3	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	1.5	-176.5	-56.4	-80.3	0	0	0	113.7	F171 L174 F186 V197 N200 G204 L205 I213 L215 F228 T231	F171-F202 HydrophobicContact CE1-CE1 4.44Å; F171-F202 HydrophobicContact CE1-CZ 4.44Å; F171-F202 HydrophobicContact CE2-CZ 4.3Å; F171-F202 AromaticContact CZ-CE1 3.81Å; F171-F202 HydrophobicContact CZ-CE1 3.81Å; F171-F202 HydrophobicContact CZ-CE2 4.38Å; F171-F202 AromaticContact CZ-CZ 3.6Å; F171-F202 HydrophobicContact CZ-CZ 3.6Å; L174-F202 HydrophobicContact CD1-CD1 4.24Å; L174-F202 HydrophobicContact CD1-CE1 4.49Å; F186-F202 HydrophobicContact CD1-CD1 4.43Å; F186-F202 AromaticContact CD1-CE1 3.64Å; F186-F202 HydrophobicContact CD1-CE1 3.64Å; F186-F202 AromaticContact CE1-CE1 3.77Å; F186-F202 HydrophobicContact CE1-CE1 3.77Å; V197-F202 HydrophobicContact CG1-CE2 3.89Å; V197-F202 HydrophobicContact CG1-CZ 4.46Å; N200-F202 PolarHBondContact O-N 2.76Å; F202-G204 PolarHBondContact O-N 3.29Å; F202-L205 HydrophobicContact CD1-CD2 3.92Å; F202-L205 VanDerWaalsContact O-CB 3.24Å; F202-L205 WeakPolarHBondContact O-CB 3.43Å; F202-L205 PolarHBondContact O-N 3.34Å; F202-L205 VanDerWaalsContact O-N 3.16Å; F202-I213 HydrophobicContact CD1-CD1 3.82Å; F202-I213 HydrophobicContact CD2-CD1 4.48Å; F202-I213 HydrophobicContact CE1-CD1 3.99Å; F202-I213 HydrophobicContact CE1-CG2 3.78Å; F202-I213 HydrophobicContact CG-CD1 4.08Å; F202-I213 HydrophobicContact CZ-CD1 4.41Å; F202-I213 HydrophobicContact CZ-CG2 3.82Å; F202-L215 HydrophobicContact CZ-CD1 4.05Å; F202-L215 HydrophobicContact CZ-CD2 4.17Å; F202-F228 AromaticContact CD2-CD1 3.48Å; F202-F228 HydrophobicContact CD2-CD1 3.48Å; F202-F228 VanDerWaalsContact CD2-CD1 3.48Å; F202-F228 AromaticContact CD2-CE1 3.58Å; F202-F228 HydrophobicContact CD2-CE1 3.58Å; F202-F228 HydrophobicContact CD2-CG 4.37Å; F202-F228 HydrophobicContact CD2-CZ 4.5Å; F202-F228 AromaticContact CE2-CD1 3.62Å; F202-F228 HydrophobicContact CE2-CD1 3.62Å; F202-F228 AromaticContact CE2-CE1 3.18Å; F202-F228 HydrophobicContact CE2-CE1 3.18Å; F202-F228 AromaticContact CE2-CZ 3.81Å; F202-F228 HydrophobicContact CE2-CZ 3.81Å; F202-F228 HydrophobicContact CG-CD1 4.41Å; F202-F228 AromaticContact CZ-CE1 3.92Å; F202-F228 HydrophobicContact CZ-CE1 3.92Å; F202-T231 HydrophobicContact CB-CG2 3.93Å
203	R	94.1	Very high	96.4	Very high	160 Å²	160	44.9 Å²	44.9	60%	0.604	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	126.4	-179.5	-176.3	176.4	179.2	172.6	-1.1	109	S175 N200 L205	S175-R203 WeakPolarHBondContact CA-O 3.3Å; N200-R203 HydrophobicContact CB-CB 4.02Å; N200-R203 WeakPolarHBondContact O-CB 3.2Å; N200-R203 PolarHBondContact O-N 3.49Å; R203-L205 VanDerWaalsContact C-N 3.34Å
204	G	91.5	Very high	96.5	Very high	30 Å²	30	45.2 Å²	45.2	31%	0.309	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-1.6	-179.1	0	0	0	0	0	115	L174 Q178 F202	L174-G204 CarbonylContact O-C 3.55Å; Q178-G204 VanDerWaalsContact CA-O 3.31Å; Q178-G204 WeakPolarHBondContact CA-O 3.46Å; Q178-G204 PolarHBondContact N-O 3.09Å; F202-G204 PolarHBondContact O-N 3.29Å
205	L	95.6	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-65.3	-53.4	177	176.6	59.9	0	0	0	112.2	L174 I177 S179 F184 F186 F202 R203 I210	L174-L205 HydrophobicContact CB-CB 4.33Å; L174-L205 HydrophobicContact CB-CD1 4.14Å; L174-L205 HydrophobicContact CD1-CD1 4.12Å; L174-L205 HydrophobicContact CD1-CD2 4.05Å; L174-L205 HydrophobicContact CG-CD1 4.5Å; I177-L205 HydrophobicContact CB-CD1 4.46Å; I177-L205 HydrophobicContact CD1-CD1 3.53Å; I177-L205 HydrophobicContact CG2-CD1 4.27Å; I177-L205 VanDerWaalsContact CG2-O 3.3Å; I177-L205 WeakPolarHBondContact CG2-O 3.41Å; S179-L205 PolarHBondContact N-O 3.33Å; S179-L205 VanDerWaalsContact N-O 3.08Å; F184-L205 HydrophobicContact CE1-CD1 3.77Å; F184-L205 HydrophobicContact CE1-CD2 3.94Å; F184-L205 HydrophobicContact CE1-CG 3.91Å; F184-L205 HydrophobicContact CE2-CD1 4.35Å; F184-L205 HydrophobicContact CZ-CD1 3.51Å; F184-L205 HydrophobicContact CZ-CG 4.03Å; F186-L205 HydrophobicContact CB-CD2 4.23Å; F186-L205 HydrophobicContact CG-CD2 4.4Å; F202-L205 HydrophobicContact CD1-CD2 3.92Å; F202-L205 VanDerWaalsContact O-CB 3.24Å; F202-L205 WeakPolarHBondContact O-CB 3.43Å; F202-L205 PolarHBondContact O-N 3.34Å; F202-L205 VanDerWaalsContact O-N 3.16Å; R203-L205 VanDerWaalsContact C-N 3.34Å; L205-I210 HydrophobicContact CD2-CD1 3.81Å; L205-I210 HydrophobicContact CG-CD1 4.32Å
206	C	95	Very high	96.6	Very high	24 Å²	24	41.3 Å²	41.3	16%	0.162	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-143	141.6	-178.9	-169.2	0	0	0	0	111.3	S179 F184 K208 I210	S179-C206 CarbonylContact O-C 3.58Å; S179-C206 WeakPolarHBondContact O-CA 3.3Å; S179-C206 PolarHBondContact O-SG 3.32Å; F184-C206 HydrophobicContact CB-CB 4.49Å; F184-C206 HydrophobicContact CD2-CB 4.32Å; F184-C206 HydrophobicContact CG-CB 4.32Å; C206-K208 PolarHBondContact SG-N 2.96Å; C206-K208 VanDerWaalsContact SG-N 3.43Å; C206-K208 PolarHBondContact SG-O 3.32Å; C206-K208 VanDerWaalsContact SG-O 3.39Å; C206-I210 HydrophobicContact CB-CD1 4.35Å; C206-I210 HydrophobicContact CB-CG1 3.88Å
207	T	93.3	Very high	96.6	Very high	95 Å²	95	43.5 Å²	43.5	58%	0.583	22%	0.224	S	C	*	.	S	Bend	trans	-85.8	-14.9	176.9	60.7	0	0	0	0	112.7	S179	S179-T207 PolarHBondContact O-N 3.16Å; S179-T207 PolarHBondContact O-OG1 2.9Å
208	K	94.3	Very high	96.5	Very high	98 Å²	98	44 Å²	44	43%	0.426	23%	0.226	S	C	.	.	S	Bend	trans	-104	161.1	174.1	-57.2	-56.7	-179	-170.6	0	110.3	C206 I210	C206-K208 PolarHBondContact SG-N 2.96Å; C206-K208 VanDerWaalsContact SG-N 3.43Å; C206-K208 PolarHBondContact SG-O 3.32Å; C206-K208 VanDerWaalsContact SG-O 3.39Å; K208-I210 PolarHBondContact O-N 3.05Å
209	P	94.9	Very high	96.5	Very high	37 Å²	37	42.1 Å²	42.1	24%	0.24	22%	0.216	C	C	.	.			trans	-54.9	128.5	171.7	-25.3	35	0	0	0	111.6	K232 Y234	P209-K232 WeakPolarHBondContact CA-O 3.39Å; P209-K232 HydrophobicContact CB-CB 4.12Å; P209-K232 HydrophobicContact CG-CB 4.25Å; P209-K232 HydrophobicContact CG-CD 4.4Å; P209-Y234 HydrophobicContact CB-CE2 3.81Å
210	I	97.2	Very high	96.5	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.8	178.2	-60.5	171.6	0	0	0	108.3	F184 L205 C206 K208 I213 T231 K232 M233 Y234	F184-I210 HydrophobicContact CB-CG2 4.46Å; F184-I210 HydrophobicContact CD1-CG2 4.15Å; F184-I210 WeakPolarHBondContact O-CG2 3.4Å; L205-I210 HydrophobicContact CD2-CD1 3.81Å; L205-I210 HydrophobicContact CG-CD1 4.32Å; C206-I210 HydrophobicContact CB-CD1 4.35Å; C206-I210 HydrophobicContact CB-CG1 3.88Å; K208-I210 PolarHBondContact O-N 3.05Å; I210-I213 HydrophobicContact CD1-CD1 4.15Å; I210-I213 HydrophobicContact CG2-CD1 4.38Å; I210-I213 HydrophobicContact CG2-CG1 3.75Å; I210-T231 HydrophobicContact CD1-CG2 3.9Å; I210-K232 PolarHBondContact N-O 2.82Å; I210-M233 HydrophobicContact CB-CB 4.22Å; I210-M233 CarbonylContact O-C 3.52Å; I210-M233 VanDerWaalsContact O-CA 3.24Å; I210-M233 WeakPolarHBondContact O-CA 3.11Å; I210-Y234 PolarHBondContact O-N 3.33Å
211	E	97.5	Very high	96.6	Very high	76 Å²	76	40.6 Å²	40.6	36%	0.355	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-49.1	179.4	-177	63.2	-158.1	0	0	110.9	F184 Y234 R235	F184-E211 WeakPolarHBondContact O-CB 3.44Å; F184-E211 PolarHBondContact O-N 3.39Å; E211-Y234 WeakPolarHBondContact O-CB 3.49Å; E211-Y234 WeakPolarHBondContact OE2-CD2 3.44Å; E211-R235 WeakPolarHBondContact O-CB 3.34Å; E211-R235 PolarHBondContact O-N 2.82Å; E211-R235 VanDerWaalsContact O-N 3.14Å; E211-R235 IonicContact OE1-NE 2.95Å
212	E	98.3	Very high	96.6	Very high	23 Å²	23	44 Å²	44	11%	0.107	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	130.2	-172.8	-167.1	159.6	131.5	0	0	112.1	F184 L185 F186 R214 R235	F184-E212 PolarHBondContact O-N 3.14Å; L185-E212 WeakPolarHBondContact CA-O 3.48Å; L185-E212 HydrophobicContact CD1-CB 4.41Å; L185-E212 HydrophobicContact CG-CB 4.32Å; F186-E212 PolarHBondContact N-O 3.2Å; E212-R214 HydrophobicContact CG-CG 3.95Å; E212-R214 IonicContact OE1-CZ 2.75Å; E212-R214 IonicContact OE1-NE 3.78Å; E212-R214 PolarHBondContact OE1-NE 2.97Å; E212-R214 IonicContact OE1-NH2 2.61Å; E212-R214 PolarHBondContact OE1-NH2 3.35Å; E212-R235 WeakPolarHBondContact CA-O 3.28Å; E212-R235 HydrophobicContact CB-CB 4.17Å; E212-R235 HydrophobicContact CG-CB 3.86Å; E212-R235 WeakPolarHBondContact OE2-CD 3.44Å; E212-R235 IonicContact OE2-NE 3.11Å
213	I	98.5	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.3	169.1	-63.5	-177.1	0	0	0	107.1	F186 F202 I210 L215 F228 T231 M233 R235 L236 L237	F186-I213 HydrophobicContact CD1-CG2 4.27Å; F202-I213 HydrophobicContact CD1-CD1 3.82Å; F202-I213 HydrophobicContact CD2-CD1 4.48Å; F202-I213 HydrophobicContact CE1-CD1 3.99Å; F202-I213 HydrophobicContact CE1-CG2 3.78Å; F202-I213 HydrophobicContact CG-CD1 4.08Å; F202-I213 HydrophobicContact CZ-CD1 4.41Å; F202-I213 HydrophobicContact CZ-CG2 3.82Å; I210-I213 HydrophobicContact CD1-CD1 4.15Å; I210-I213 HydrophobicContact CG2-CD1 4.38Å; I210-I213 HydrophobicContact CG2-CG1 3.75Å; I213-L215 HydrophobicContact CG2-CD1 4.34Å; I213-L215 HydrophobicContact CG2-CD2 4.13Å; I213-L215 HydrophobicContact CG2-CG 3.93Å; I213-F228 HydrophobicContact CD1-CD1 4.44Å; I213-F228 HydrophobicContact CD1-CE1 4.25Å; I213-T231 HydrophobicContact CD1-CG2 4.44Å; I213-M233 HydrophobicContact CD1-CB 4.32Å; I213-M233 HydrophobicContact CD1-SD 3.69Å; I213-R235 PolarHBondContact N-O 2.98Å; I213-L236 HydrophobicContact CB-CD1 4.06Å; I213-L236 HydrophobicContact CG2-CD1 3.78Å; I213-L236 WeakPolarHBondContact O-CA 3.42Å; I213-L237 PolarHBondContact O-N 3.35Å
214	R	98.7	Very high	96.9	Very high	73 Å²	73	37.5 Å²	37.5	28%	0.275	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.9	174.5	-54.7	-175.2	172.6	154	4.2	109.5	F186 D187 L188 E212 L237	F186-R214 PolarHBondContact O-N 3.18Å; D187-R214 WeakPolarHBondContact OD2-CD 3.48Å; D187-R214 IonicContact OD2-NH1 3.98Å; D187-R214 PolarHBondContact OD2-NH1 2.85Å; L188-R214 PolarHBondContact N-O 3.44Å; E212-R214 HydrophobicContact CG-CG 3.95Å; E212-R214 IonicContact OE1-CZ 2.75Å; E212-R214 IonicContact OE1-NE 3.78Å; E212-R214 PolarHBondContact OE1-NE 2.97Å; E212-R214 IonicContact OE1-NH2 2.61Å; E212-R214 PolarHBondContact OE1-NH2 3.35Å; R214-L237 HydrophobicContact CG-CD1 4.07Å
215	L	98.4	Very high	97.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.			trans	-120.6	39.7	174.4	-55.8	-179.2	0	0	0	109.8	F171 F186 L188 V197 F202 I213 N218 I220 F228 L236 L237 L238 N241	F171-L215 HydrophobicContact CE2-CD2 4.09Å; F171-L215 HydrophobicContact CZ-CD2 4.38Å; F186-L215 HydrophobicContact CD1-CD2 4.24Å; F186-L215 HydrophobicContact CE1-CD2 3.88Å; L188-L215 HydrophobicContact CB-CD2 3.85Å; L188-L215 HydrophobicContact CD2-CD2 4.04Å; L188-L215 CarbonylContact O-C 3.59Å; L188-L215 VanDerWaalsContact O-CA 3.27Å; L188-L215 WeakPolarHBondContact O-CA 3.47Å; V197-L215 HydrophobicContact CG2-CD1 3.76Å; F202-L215 HydrophobicContact CZ-CD1 4.05Å; F202-L215 HydrophobicContact CZ-CD2 4.17Å; I213-L215 HydrophobicContact CG2-CD1 4.34Å; I213-L215 HydrophobicContact CG2-CD2 4.13Å; I213-L215 HydrophobicContact CG2-CG 3.93Å; L215-N218 PolarHBondContact O-ND2 3.2Å; L215-N218 VanDerWaalsContact O-ND2 3.09Å; L215-I220 HydrophobicContact CB-CD1 3.94Å; L215-I220 HydrophobicContact CD1-CD1 4.41Å; L215-F228 HydrophobicContact CD1-CZ 4.48Å; L215-L236 HydrophobicContact CD1-CD1 4.46Å; L215-L237 PolarHBondContact N-O 3.04Å; L215-L238 HydrophobicContact CB-CD2 4.13Å; L215-L238 HydrophobicContact CD1-CD2 3.9Å; L215-N241 PolarHBondContact O-ND2 3.04Å
216	T	98	Very high	97.2	Very high	8 Å²	8	41 Å²	41	5%	0.049	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	148.1	-166.2	65.5	0	0	0	0	113.1	L188 Q189 D190 N218 L237 S239	L188-T216 PolarHBondContact O-N 2.85Å; Q189-T216 WeakPolarHBondContact CA-O 3.25Å; Q189-T216 WeakPolarHBondContact CG-OG1 3.21Å; Q189-T216 PolarHBondContact OE1-OG1 3.04Å; Q189-T216 VanDerWaalsContact OE1-OG1 3.04Å; D190-T216 PolarHBondContact N-O 3.35Å; T216-N218 PolarHBondContact O-N 3.01Å; T216-N218 VanDerWaalsContact O-N 3.16Å; T216-L237 HydrophobicContact CG2-CB 3.68Å; T216-S239 CarbonylContact C-O 3.59Å; T216-S239 WeakPolarHBondContact CA-O 3.5Å; T216-S239 WeakPolarHBondContact CB-O 3.5Å; T216-S239 WeakPolarHBondContact CG2-OG 3.21Å
217	R	97.7	Very high	97.3	Very high	115 Å²	115	39.9 Å²	39.9	43%	0.434	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	33.6	178.9	-58.9	-173.9	-59.3	-74.9	-7.5	115.1	D190 S239	D190-R217 VanDerWaalsContact CA-O 3.3Å; D190-R217 WeakPolarHBondContact CA-O 3.41Å; D190-R217 WeakPolarHBondContact OD1-CB 3.46Å; D190-R217 IonicContact OD1-CZ 3.28Å; D190-R217 IonicContact OD1-NE 3.53Å; D190-R217 PolarHBondContact OD1-NE 3.5Å; D190-R217 IonicContact OD1-NH2 2.68Å; D190-R217 IonicContact OD2-CZ 2.72Å; D190-R217 IonicContact OD2-NE 2.64Å; D190-R217 PolarHBondContact OD2-NE 3.26Å; D190-R217 IonicContact OD2-NH2 3.09Å; D190-R217 PolarHBondContact OD2-NH2 3.08Å; R217-S239 PolarHBondContact N-O 2.85Å
218	N	98.1	Very high	97.5	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.053	17%	0.173	C	C	.	.	S	Bend	trans	-89.6	-174.4	171.3	-61.1	-49.6	0	0	0	110.8	L188 D190 N191 L215 T216 I220 N241	L188-N218 PolarHBondContact O-ND2 2.75Å; D190-N218 PolarHBondContact N-OD1 3.25Å; N191-N218 WeakPolarHBondContact CA-OD1 3.23Å; N191-N218 WeakPolarHBondContact CB-OD1 3.45Å; N191-N218 PolarHBondContact N-OD1 3.07Å; N191-N218 WeakPolarHBondContact O-CB 3.47Å; L215-N218 PolarHBondContact O-ND2 3.2Å; L215-N218 VanDerWaalsContact O-ND2 3.09Å; T216-N218 PolarHBondContact O-N 3.01Å; T216-N218 VanDerWaalsContact O-N 3.16Å; N218-I220 VanDerWaalsContact C-N 3.27Å; N218-I220 HydrophobicContact CB-CD1 4Å; N218-I220 HydrophobicContact CB-CG1 3.88Å; N218-I220 PolarHBondContact O-N 3.48Å; N218-N241 VanDerWaalsContact CA-OD1 3.27Å; N218-N241 WeakPolarHBondContact CA-OD1 3.46Å; N218-N241 VanDerWaalsContact CB-OD1 3.27Å; N218-N241 WeakPolarHBondContact CB-OD1 3.43Å; N218-N241 PolarHBondContact N-OD1 2.96Å; N218-N241 PolarHBondContact O-OD1 3.34Å
219	G	96.8	Very high	97.5	Very high	11 Å²	11	33 Å²	33	11%	0.113	17%	0.166	C	C	.	.			trans	-86.1	15.7	173.1	0	0	0	0	0	114.5	N191 I192 I194 E195 K221	N191-G219 PolarHBondContact O-N 3.39Å; I192-G219 VanDerWaalsContact O-CA 3.26Å; I192-G219 WeakPolarHBondContact O-CA 3.47Å; I194-G219 CarbonylContact O-C 3.56Å; I194-G219 WeakPolarHBondContact O-CA 3.37Å; I194-G219 PolarHBondContact O-N 3.01Å; E195-G219 WeakPolarHBondContact CA-O 3.48Å; G219-K221 PolarHBondContact O-N 3.49Å
220	I	98.4	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.			trans	-66	126.2	-166.3	-60	164.4	0	0	0	109.9	I194 E195 V197 L215 N218 N241 Q243 L244	I194-I220 PolarHBondContact O-N 3.22Å; I194-I220 VanDerWaalsContact O-N 3.14Å; E195-I220 CarbonylContact O-C 3.33Å; E195-I220 WeakPolarHBondContact O-CA 3.25Å; V197-I220 HydrophobicContact CG2-CD1 3.89Å; V197-I220 HydrophobicContact CG2-CG1 4.48Å; V197-I220 HydrophobicContact CG2-CG2 4.16Å; L215-I220 HydrophobicContact CB-CD1 3.94Å; L215-I220 HydrophobicContact CD1-CD1 4.41Å; N218-I220 VanDerWaalsContact C-N 3.27Å; N218-I220 HydrophobicContact CB-CD1 4Å; N218-I220 HydrophobicContact CB-CG1 3.88Å; N218-I220 PolarHBondContact O-N 3.48Å; I220-N241 HydrophobicContact CB-CB 4.29Å; I220-N241 WeakPolarHBondContact CB-OD1 3.28Å; I220-N241 PolarHBondContact N-OD1 2.65Å; I220-Q243 CarbonylContact O-C 3.46Å; I220-L244 HydrophobicContact CG2-CD1 4.16Å; I220-L244 VanDerWaalsContact O-CA 3.29Å; I220-L244 WeakPolarHBondContact O-CA 3.42Å; I220-L244 WeakPolarHBondContact O-CB 3.35Å; I220-L244 PolarHBondContact O-N 3.29Å
221	K	97.8	Very high	97.2	Very high	77 Å²	77	33.9 Å²	33.9	34%	0.335	18%	0.181	S	C	.	.			trans	-104.4	-33.2	176.5	-58.7	178.4	-173.5	161.4	0	111.9	E195 G219 Q243 L244 G245	E195-K221 HydrophobicContact CB-CD 4.42Å; E195-K221 PolarHBondContact O-N 2.91Å; E195-K221 IonicContact OE1-NZ 3.34Å; E195-K221 PolarHBondContact OE1-NZ 2.85Å; E195-K221 WeakPolarHBondContact OE2-CE 3.25Å; E195-K221 IonicContact OE2-NZ 3.7Å; E195-K221 PolarHBondContact OE2-NZ 3.36Å; G219-K221 PolarHBondContact O-N 3.49Å; K221-Q243 WeakPolarHBondContact CA-O 3.43Å; K221-Q243 HydrophobicContact CG-CB 3.92Å; K221-L244 WeakPolarHBondContact O-CA 3.46Å; K221-G245 PolarHBondContact O-N 3.5Å; K221-G245 VanDerWaalsContact O-N 3.11Å
222	E	97.8	Very high	97	Very high	82 Å²	82	35.4 Å²	35.4	38%	0.383	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.8	-175.5	179.1	167.5	-154.6	0	0	113	E195 T196 V197 H246	E195-E222 PolarHBondContact O-N 3.03Å; T196-E222 WeakPolarHBondContact CA-O 3.38Å; V197-E222 PolarHBondContact N-O 2.88Å; E222-H246 WeakPolarHBondContact CA-O 3.48Å; E222-H246 HydrophobicContact CG-CB 4.48Å; E222-H246 IonicContact OE1-CE1 2.66Å; E222-H246 IonicContact OE1-ND1 3.31Å; E222-H246 PolarHBondContact OE1-ND1 3.37Å
223	V	98.3	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.8	163.9	178.3	0	0	0	0	108.3	V197 A227 F228 L238 L244 H246 I247 S248 A251	V197-V223 HydrophobicContact CB-CG1 4.34Å; V197-V223 HydrophobicContact CB-CG2 4.32Å; V197-V223 HydrophobicContact CG2-CG2 4.13Å; V223-A227 HydrophobicContact CG1-CB 3.58Å; V223-F228 HydrophobicContact CG1-CD2 4.46Å; V223-F228 HydrophobicContact CG1-CE2 3.88Å; V223-L238 HydrophobicContact CG2-CD2 4.44Å; V223-L244 HydrophobicContact CG2-CD1 4.1Å; V223-H246 PolarHBondContact N-O 2.99Å; V223-I247 HydrophobicContact CB-CB 4.44Å; V223-I247 HydrophobicContact CB-CG1 4.36Å; V223-I247 HydrophobicContact CB-CG2 4.11Å; V223-I247 HydrophobicContact CG1-CG2 4.29Å; V223-I247 HydrophobicContact CG2-CG1 4.25Å; V223-S248 PolarHBondContact O-N 3.34Å; V223-A251 HydrophobicContact CG1-CB 3.81Å
224	A	98.1	Very high	96.8	Very high	25 Å²	25	38 Å²	38	21%	0.207	20%	0.195	C	C	.	.			trans	-66	166.4	-175.1	0	0	0	0	0	113	V197 A227 A251	V197-A224 VanDerWaalsContact O-CB 3.31Å; V197-A224 WeakPolarHBondContact O-CB 3.48Å; V197-A224 PolarHBondContact O-N 3.43Å; A224-A227 WeakPolarHBondContact O-CB 3.45Å; A224-A227 PolarHBondContact O-N 3.4Å; A224-A251 WeakPolarHBondContact O-CA 3.31Å; A224-A251 WeakPolarHBondContact O-CB 3.2Å
225	S	97.3	Very high	96.8	Very high	56 Å²	56	38.9 Å²	38.9	39%	0.392	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	145.6	165.9	59.9	0	0	0	0	110	A199 A227	A199-S225 WeakPolarHBondContact CB-O 3.45Å; S225-A227 PolarHBondContact O-N 3.49Å
226	D	96.8	Very high	96.8	Very high	48 Å²	48	38.9 Å²	38.9	26%	0.257	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	16.4	177.5	-55.8	-74	0	0	0	114.7	A199 N200 F228 N229 D250	A199-D226 HydrophobicContact CB-CB 4.42Å; N200-D226 PolarHBondContact N-O 3.49Å; D226-F228 PolarHBondContact O-N 3.5Å; D226-N229 HydrophobicContact CB-CB 3.91Å; D226-N229 VanDerWaalsContact O-CB 3.22Å; D226-N229 WeakPolarHBondContact O-CB 3.34Å; D226-N229 PolarHBondContact O-N 3.15Å; D226-D250 PolarHBondContact N-O 3.23Å
227	A	97.8	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.3	-178.7	0	0	0	0	0	112.8	V197 P198 A201 V223 A224 S225 A251	V197-A227 HydrophobicContact CG1-CB 3.98Å; P198-A227 WeakPolarHBondContact O-CA 3.44Å; A201-A227 PolarHBondContact N-O 2.85Å; V223-A227 HydrophobicContact CG1-CB 3.58Å; A224-A227 WeakPolarHBondContact O-CB 3.45Å; A224-A227 PolarHBondContact O-N 3.4Å; S225-A227 PolarHBondContact O-N 3.49Å; A227-A251 PolarHBondContact N-O 3.07Å
228	F	96.9	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	26.4	178.2	-60	-84.6	0	0	0	112.7	F202 I213 L215 V223 D226 G230 T231 M233 L236 A251 F252 S255	F202-F228 AromaticContact CD2-CD1 3.48Å; F202-F228 HydrophobicContact CD2-CD1 3.48Å; F202-F228 VanDerWaalsContact CD2-CD1 3.48Å; F202-F228 AromaticContact CD2-CE1 3.58Å; F202-F228 HydrophobicContact CD2-CE1 3.58Å; F202-F228 HydrophobicContact CD2-CG 4.37Å; F202-F228 HydrophobicContact CD2-CZ 4.5Å; F202-F228 AromaticContact CE2-CD1 3.62Å; F202-F228 HydrophobicContact CE2-CD1 3.62Å; F202-F228 AromaticContact CE2-CE1 3.18Å; F202-F228 HydrophobicContact CE2-CE1 3.18Å; F202-F228 AromaticContact CE2-CZ 3.81Å; F202-F228 HydrophobicContact CE2-CZ 3.81Å; F202-F228 HydrophobicContact CG-CD1 4.41Å; F202-F228 AromaticContact CZ-CE1 3.92Å; F202-F228 HydrophobicContact CZ-CE1 3.92Å; I213-F228 HydrophobicContact CD1-CD1 4.44Å; I213-F228 HydrophobicContact CD1-CE1 4.25Å; L215-F228 HydrophobicContact CD1-CZ 4.48Å; V223-F228 HydrophobicContact CG1-CD2 4.46Å; V223-F228 HydrophobicContact CG1-CE2 3.88Å; D226-F228 PolarHBondContact O-N 3.5Å; F228-G230 PolarHBondContact O-N 3.28Å; F228-T231 VanDerWaalsContact O-CB 3.23Å; F228-T231 WeakPolarHBondContact O-CB 3.5Å; F228-T231 PolarHBondContact O-N 3.49Å; F228-T231 PolarHBondContact O-OG1 3.3Å; F228-M233 HydrophobicContact CB-CE 4.25Å; F228-M233 HydrophobicContact CD1-CE 3.67Å; F228-M233 HydrophobicContact CD1-SD 3.69Å; F228-M233 HydrophobicContact CD2-CE 4.49Å; F228-M233 HydrophobicContact CE1-CE 4.1Å; F228-M233 HydrophobicContact CE1-SD 4Å; F228-M233 HydrophobicContact CG-CE 3.89Å; F228-M233 HydrophobicContact CG-SD 4.46Å; F228-L236 HydrophobicContact CE1-CD1 3.86Å; F228-L236 HydrophobicContact CE1-CD2 4.1Å; F228-L236 HydrophobicContact CE2-CD2 3.91Å; F228-L236 HydrophobicContact CZ-CD1 3.7Å; F228-L236 HydrophobicContact CZ-CD2 3.58Å; F228-L236 HydrophobicContact CZ-CG 4.32Å; F228-A251 PolarHBondContact N-O 3.41Å; F228-F252 HydrophobicContact CB-CD1 4.19Å; F228-F252 AromaticContact CD2-CD1 3.92Å; F228-F252 HydrophobicContact CD2-CD1 3.92Å; F228-F252 AromaticContact CD2-CE1 3.6Å; F228-F252 HydrophobicContact CD2-CE1 3.6Å; F228-F252 AromaticContact CD2-CZ 3.98Å; F228-F252 HydrophobicContact CD2-CZ 3.98Å; F228-F252 AromaticContact CE2-CE1 3.95Å; F228-F252 HydrophobicContact CE2-CE1 3.95Å; F228-F252 HydrophobicContact CE2-CZ 4.01Å; F228-F252 HydrophobicContact CG-CD1 4.22Å; F228-F252 HydrophobicContact CG-CE1 4.11Å; F228-S255 WeakPolarHBondContact O-CB 3.15Å
229	N	94.9	Very high	96.8	Very high	49 Å²	49	34.9 Å²	34.9	26%	0.262	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	126.1	-173.9	-170.5	-0.2	0	0	0	112.9	D226 T231 V253	D226-N229 HydrophobicContact CB-CB 3.91Å; D226-N229 VanDerWaalsContact O-CB 3.22Å; D226-N229 WeakPolarHBondContact O-CB 3.34Å; D226-N229 PolarHBondContact O-N 3.15Å; N229-T231 PolarHBondContact O-N 3.33Å; N229-T231 PolarHBondContact O-OG1 2.99Å; N229-V253 VanDerWaalsContact CA-O 3.28Å; N229-V253 WeakPolarHBondContact CA-O 3.31Å; N229-V253 PolarHBondContact OD1-O 3.48Å
230	G	90.1	Very high	96.9	Very high	50 Å²	50	34.9 Å²	34.9	52%	0.515	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	8.7	-179	0	0	0	0	0	114.9	F228 V253 G254	F228-G230 PolarHBondContact O-N 3.28Å; G230-V253 PolarHBondContact N-O 2.92Å; G230-G254 WeakPolarHBondContact CA-O 3.37Å
231	T	94.4	Very high	96.9	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.055	19%	0.187	C	C	.	.			trans	-87.8	125.1	-175	-54.1	0	0	0	0	110.5	F202 I210 I213 F228 N229 S255 S256	F202-T231 HydrophobicContact CB-CG2 3.93Å; I210-T231 HydrophobicContact CD1-CG2 3.9Å; I213-T231 HydrophobicContact CD1-CG2 4.44Å; F228-T231 VanDerWaalsContact O-CB 3.23Å; F228-T231 WeakPolarHBondContact O-CB 3.5Å; F228-T231 PolarHBondContact O-N 3.49Å; F228-T231 PolarHBondContact O-OG1 3.3Å; N229-T231 PolarHBondContact O-N 3.33Å; N229-T231 PolarHBondContact O-OG1 2.99Å; T231-S255 WeakPolarHBondContact O-CA 3.46Å; T231-S255 VanDerWaalsContact O-CB 3.25Å; T231-S255 WeakPolarHBondContact O-CB 3.38Å; T231-S256 PolarHBondContact O-N 3.47Å
232	K	94.6	Very high	96.8	Very high	107 Å²	107	39.1 Å²	39.1	47%	0.465	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-96	121.4	173.1	-57.4	-170.9	177.5	-178.2	0	109.3	P209 I210 S256	P209-K232 WeakPolarHBondContact CA-O 3.39Å; P209-K232 HydrophobicContact CB-CB 4.12Å; P209-K232 HydrophobicContact CG-CB 4.25Å; P209-K232 HydrophobicContact CG-CD 4.4Å; I210-K232 PolarHBondContact N-O 2.82Å; K232-S256 WeakPolarHBondContact CG-OG 3.41Å
233	M	95.6	Very high	96.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.3	-176.4	65.9	-169.4	174.1	0	0	112.4	I210 I213 F228 L236 F252 S256 E257 L258	I210-M233 HydrophobicContact CB-CB 4.22Å; I210-M233 CarbonylContact O-C 3.52Å; I210-M233 VanDerWaalsContact O-CA 3.24Å; I210-M233 WeakPolarHBondContact O-CA 3.11Å; I213-M233 HydrophobicContact CD1-CB 4.32Å; I213-M233 HydrophobicContact CD1-SD 3.69Å; F228-M233 HydrophobicContact CB-CE 4.25Å; F228-M233 HydrophobicContact CD1-CE 3.67Å; F228-M233 HydrophobicContact CD1-SD 3.69Å; F228-M233 HydrophobicContact CD2-CE 4.49Å; F228-M233 HydrophobicContact CE1-CE 4.1Å; F228-M233 HydrophobicContact CE1-SD 4Å; F228-M233 HydrophobicContact CG-CE 3.89Å; F228-M233 HydrophobicContact CG-SD 4.46Å; M233-L236 HydrophobicContact CE-CB 4.3Å; M233-L236 HydrophobicContact CE-CD2 3.95Å; M233-L236 HydrophobicContact SD-CB 4.41Å; M233-F252 HydrophobicContact CE-CD1 3.85Å; M233-F252 HydrophobicContact CE-CE1 3.53Å; M233-S256 PolarHBondContact N-O 2.84Å; M233-E257 CarbonylContact O-C 3.01Å; M233-E257 VanDerWaalsContact O-O 3.1Å; M233-L258 HydrophobicContact CE-CD1 4.1Å; M233-L258 HydrophobicContact CE-CD2 4.19Å; M233-L258 HydrophobicContact CG-CD1 4.08Å; M233-L258 WeakPolarHBondContact O-CA 3.49Å; M233-L258 PolarHBondContact O-N 3.3Å
234	Y	96.8	Very high	96.8	Very high	78 Å²	78	41.1 Å²	41.1	31%	0.306	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-38.1	178.3	-67.1	-58.8	0	0	0	113.4	P209 I210 E211 E257 V259 V260	P209-Y234 HydrophobicContact CB-CE2 3.81Å; I210-Y234 PolarHBondContact O-N 3.33Å; E211-Y234 WeakPolarHBondContact O-CB 3.49Å; E211-Y234 WeakPolarHBondContact OE2-CD2 3.44Å; Y234-E257 HydrophobicContact CD1-CB 4.16Å; Y234-E257 HydrophobicContact CE1-CB 3.89Å; Y234-E257 WeakPolarHBondContact CE1-OE2 3.32Å; Y234-E257 PolarHBondContact OH-OE2 3.44Å; Y234-V259 HydrophobicContact CD1-CG2 4.22Å; Y234-V259 PolarHBondContact O-N 3.36Å; Y234-V260 PolarHBondContact O-N 3.09Å
235	R	98.3	Very high	96.7	Very high	91 Å²	91	41.1 Å²	41.1	34%	0.343	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.1	-173.5	-56.4	174.3	177.1	-93.4	-3.8	111.4	E211 E212 I213 V260	E211-R235 WeakPolarHBondContact O-CB 3.34Å; E211-R235 PolarHBondContact O-N 2.82Å; E211-R235 VanDerWaalsContact O-N 3.14Å; E211-R235 IonicContact OE1-NE 2.95Å; E212-R235 WeakPolarHBondContact CA-O 3.28Å; E212-R235 HydrophobicContact CB-CB 4.17Å; E212-R235 HydrophobicContact CG-CB 3.86Å; E212-R235 WeakPolarHBondContact OE2-CD 3.44Å; E212-R235 IonicContact OE2-NE 3.11Å; I213-R235 PolarHBondContact N-O 2.98Å; R235-V260 WeakPolarHBondContact CA-O 3.19Å; R235-V260 HydrophobicContact CB-CB 4.3Å; R235-V260 HydrophobicContact CG-CB 3.98Å; R235-V260 HydrophobicContact CG-CG2 4.03Å
236	L	98.3	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.7	173.7	176.4	59.9	0	0	0	109.8	I213 L215 F228 M233 L238 F252 L258 V260 L261 D262	I213-L236 HydrophobicContact CB-CD1 4.06Å; I213-L236 HydrophobicContact CG2-CD1 3.78Å; I213-L236 WeakPolarHBondContact O-CA 3.42Å; L215-L236 HydrophobicContact CD1-CD1 4.46Å; F228-L236 HydrophobicContact CE1-CD1 3.86Å; F228-L236 HydrophobicContact CE1-CD2 4.1Å; F228-L236 HydrophobicContact CE2-CD2 3.91Å; F228-L236 HydrophobicContact CZ-CD1 3.7Å; F228-L236 HydrophobicContact CZ-CD2 3.58Å; F228-L236 HydrophobicContact CZ-CG 4.32Å; M233-L236 HydrophobicContact CE-CB 4.3Å; M233-L236 HydrophobicContact CE-CD2 3.95Å; M233-L236 HydrophobicContact SD-CB 4.41Å; L236-L238 HydrophobicContact CD1-CG 4.3Å; L236-L238 HydrophobicContact CD2-CD1 4.08Å; L236-L238 HydrophobicContact CD2-CG 4.44Å; L236-L238 HydrophobicContact CG-CD1 4.29Å; L236-L238 HydrophobicContact CG-CG 4.16Å; L236-F252 HydrophobicContact CD2-CE1 3.7Å; L236-F252 HydrophobicContact CD2-CZ 3.74Å; L236-L258 HydrophobicContact CB-CD1 3.79Å; L236-V260 PolarHBondContact N-O 2.97Å; L236-L261 HydrophobicContact CB-CD1 4.35Å; L236-L261 HydrophobicContact CD2-CD1 4.09Å; L236-L261 HydrophobicContact CG-CD1 4.25Å; L236-D262 PolarHBondContact O-N 3.22Å
237	L	98.6	Very high	96.6	Very high	30 Å²	30	40.5 Å²	40.5	16%	0.157	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.8	177.7	-46.3	-174.2	0	0	0	110	I213 R214 L215 T216 D262	I213-L237 PolarHBondContact O-N 3.35Å; R214-L237 HydrophobicContact CG-CD1 4.07Å; L215-L237 PolarHBondContact N-O 3.04Å; T216-L237 HydrophobicContact CG2-CB 3.68Å; L237-D262 HydrophobicContact CB-CB 4.4Å; L237-D262 HydrophobicContact CD2-CB 3.57Å
238	L	98.3	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.			trans	-106.5	10.5	175.5	-68.3	163.2	0	0	0	111.6	L215 V223 L236 N241 L244 I247 L261 D262 V263 T266	L215-L238 HydrophobicContact CB-CD2 4.13Å; L215-L238 HydrophobicContact CD1-CD2 3.9Å; V223-L238 HydrophobicContact CG2-CD2 4.44Å; L236-L238 HydrophobicContact CD1-CG 4.3Å; L236-L238 HydrophobicContact CD2-CD1 4.08Å; L236-L238 HydrophobicContact CD2-CG 4.44Å; L236-L238 HydrophobicContact CG-CD1 4.29Å; L236-L238 HydrophobicContact CG-CG 4.16Å; L238-N241 PolarHBondContact O-ND2 3.23Å; L238-L244 HydrophobicContact CB-CD2 4.05Å; L238-L244 HydrophobicContact CD1-CD2 4.22Å; L238-L244 HydrophobicContact CD2-CD2 4.24Å; L238-L244 HydrophobicContact CG-CD2 4.42Å; L238-I247 HydrophobicContact CD1-CD1 4.08Å; L238-L261 HydrophobicContact CD1-CD1 4.4Å; L238-D262 WeakPolarHBondContact CA-O 3.39Å; L238-D262 WeakPolarHBondContact CB-O 3.43Å; L238-D262 PolarHBondContact N-O 3.14Å; L238-V263 HydrophobicContact CB-CG1 4.5Å; L238-V263 HydrophobicContact CD1-CG1 4.19Å; L238-T266 WeakPolarHBondContact O-CG2 3.2Å
239	S	98.1	Very high	96.4	Very high	20 Å²	20	45 Å²	45	14%	0.14	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	146.3	-170.2	45.3	0	0	0	0	114	T216 R217 N241 D262 S264	T216-S239 CarbonylContact C-O 3.59Å; T216-S239 WeakPolarHBondContact CA-O 3.5Å; T216-S239 WeakPolarHBondContact CB-O 3.5Å; T216-S239 WeakPolarHBondContact CG2-OG 3.21Å; R217-S239 PolarHBondContact N-O 2.85Å; S239-N241 VanDerWaalsContact C-N 3.31Å; S239-N241 PolarHBondContact O-N 3.31Å; S239-D262 VanDerWaalsContact CB-OD2 3.23Å; S239-D262 WeakPolarHBondContact CB-OD2 3.37Å; S239-D262 PolarHBondContact N-O 2.98Å; S239-D262 PolarHBondContact OG-OD2 3.15Å; S239-S264 CarbonylContact C-O 3.03Å; S239-S264 WeakPolarHBondContact CA-O 3.07Å; S239-S264 VanDerWaalsContact CB-O 3.26Å; S239-S264 WeakPolarHBondContact CB-O 3.01Å
240	G	97.8	Very high	96.4	Very high	10 Å²	10	47.1 Å²	47.1	10%	0.103	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-1.2	179.3	0	0	0	0	0	115.6	K242 S264	G240-K242 VanDerWaalsContact C-N 3.33Å; G240-K242 PolarHBondContact O-N 2.93Å; G240-S264 PolarHBondContact N-O 3Å
241	N	98.2	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.			trans	-77.6	82.7	169.3	-66.8	-75	0	0	0	110.1	L215 N218 I220 L238 S239 Q243 L244 Q265 T266	L215-N241 PolarHBondContact O-ND2 3.04Å; N218-N241 VanDerWaalsContact CA-OD1 3.27Å; N218-N241 WeakPolarHBondContact CA-OD1 3.46Å; N218-N241 VanDerWaalsContact CB-OD1 3.27Å; N218-N241 WeakPolarHBondContact CB-OD1 3.43Å; N218-N241 PolarHBondContact N-OD1 2.96Å; N218-N241 PolarHBondContact O-OD1 3.34Å; I220-N241 HydrophobicContact CB-CB 4.29Å; I220-N241 WeakPolarHBondContact CB-OD1 3.28Å; I220-N241 PolarHBondContact N-OD1 2.65Å; L238-N241 PolarHBondContact O-ND2 3.23Å; S239-N241 VanDerWaalsContact C-N 3.31Å; S239-N241 PolarHBondContact O-N 3.31Å; N241-Q243 PolarHBondContact O-N 3.44Å; N241-L244 HydrophobicContact CB-CB 3.81Å; N241-L244 HydrophobicContact CB-CD2 4.47Å; N241-L244 WeakPolarHBondContact O-CB 3.37Å; N241-L244 PolarHBondContact O-N 3.34Å; N241-Q265 CarbonylContact C-O 3.54Å; N241-T266 HydrophobicContact CB-CG2 4.39Å; N241-T266 WeakPolarHBondContact O-CA 3.42Å
242	K	96.9	Very high	96.8	Very high	167 Å²	167	44.5 Å²	44.5	73%	0.726	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.4	-170.8	-64.4	-177.7	-179.1	178.7	0	114.5	G240 A267	G240-K242 VanDerWaalsContact C-N 3.33Å; G240-K242 PolarHBondContact O-N 2.93Å; K242-A267 WeakPolarHBondContact O-CB 3.05Å
243	Q	96.8	Very high	96.7	Very high	123 Å²	123	42.5 Å²	42.5	58%	0.575	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-0.6	-178.2	-62.9	-175.6	-38.5	0	0	113.5	I220 K221 N241 G245	I220-Q243 CarbonylContact O-C 3.46Å; K221-Q243 WeakPolarHBondContact CA-O 3.43Å; K221-Q243 HydrophobicContact CG-CB 3.92Å; N241-Q243 PolarHBondContact O-N 3.44Å; Q243-G245 PolarHBondContact O-N 2.86Å
244	L	98.1	Very high	96.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.			trans	-68.1	98.7	179.4	174	56.2	0	0	0	109.5	I220 K221 V223 L238 N241 H246 I247 T266 A267 V268	I220-L244 HydrophobicContact CG2-CD1 4.16Å; I220-L244 VanDerWaalsContact O-CA 3.29Å; I220-L244 WeakPolarHBondContact O-CA 3.42Å; I220-L244 WeakPolarHBondContact O-CB 3.35Å; I220-L244 PolarHBondContact O-N 3.29Å; K221-L244 WeakPolarHBondContact O-CA 3.46Å; V223-L244 HydrophobicContact CG2-CD1 4.1Å; L238-L244 HydrophobicContact CB-CD2 4.05Å; L238-L244 HydrophobicContact CD1-CD2 4.22Å; L238-L244 HydrophobicContact CD2-CD2 4.24Å; L238-L244 HydrophobicContact CG-CD2 4.42Å; N241-L244 HydrophobicContact CB-CB 3.81Å; N241-L244 HydrophobicContact CB-CD2 4.47Å; N241-L244 WeakPolarHBondContact O-CB 3.37Å; N241-L244 PolarHBondContact O-N 3.34Å; L244-H246 WeakPolarHBondContact CD1-O 3.3Å; L244-I247 HydrophobicContact CD1-CG1 4.18Å; L244-I247 HydrophobicContact CD2-CD1 4.47Å; L244-T266 HydrophobicContact CB-CG2 4.31Å; L244-T266 HydrophobicContact CD2-CG2 4.16Å; L244-A267 CarbonylContact O-C 3.53Å; L244-A267 VanDerWaalsContact O-CA 3.27Å; L244-A267 WeakPolarHBondContact O-CA 3.47Å; L244-A267 PolarHBondContact O-N 3.47Å; L244-V268 PolarHBondContact O-N 3.31Å
245	G	95.9	Very high	96.2	Very high	25 Å²	25	42.7 Å²	42.7	26%	0.258	24%	0.239	S	C	.	.			trans	-101.5	-34.4	-177.9	0	0	0	0	0	113.4	K221 Q243 A267 S269	K221-G245 PolarHBondContact O-N 3.5Å; K221-G245 VanDerWaalsContact O-N 3.11Å; Q243-G245 PolarHBondContact O-N 2.86Å; G245-A267 WeakPolarHBondContact CA-O 3.2Å; G245-S269 PolarHBondContact O-N 3.45Å
246	H	95.5	Very high	95.8	Very high	85 Å²	85	40.5 Å²	40.5	39%	0.394	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126	-172.6	-173.5	-116	0	0	0	111.3	E222 V223 L244	E222-H246 WeakPolarHBondContact CA-O 3.48Å; E222-H246 HydrophobicContact CG-CB 4.48Å; E222-H246 IonicContact OE1-CE1 2.66Å; E222-H246 IonicContact OE1-ND1 3.31Å; E222-H246 PolarHBondContact OE1-ND1 3.37Å; V223-H246 PolarHBondContact N-O 2.99Å; L244-H246 WeakPolarHBondContact CD1-O 3.3Å
247	I	97.1	Very high	95.4	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.8	165.3	-58.2	176.9	0	0	0	105.4	V223 L238 L244 A251 F252 V263 V268 P272	V223-I247 HydrophobicContact CB-CB 4.44Å; V223-I247 HydrophobicContact CB-CG1 4.36Å; V223-I247 HydrophobicContact CB-CG2 4.11Å; V223-I247 HydrophobicContact CG1-CG2 4.29Å; V223-I247 HydrophobicContact CG2-CG1 4.25Å; L238-I247 HydrophobicContact CD1-CD1 4.08Å; L244-I247 HydrophobicContact CD1-CG1 4.18Å; L244-I247 HydrophobicContact CD2-CD1 4.47Å; I247-A251 HydrophobicContact CG2-CB 4.1Å; I247-F252 HydrophobicContact CG2-CE2 3.89Å; I247-V263 HydrophobicContact CD1-CG1 4.31Å; I247-V268 HydrophobicContact CD1-CG2 3.97Å; I247-V268 HydrophobicContact CG1-CG2 4.17Å; I247-P272 HydrophobicContact CG2-CG 3.88Å
248	S	96.4	Very high	95.3	Very high	13 Å²	13	43.1 Å²	43.1	9%	0.091	25%	0.249	C	C	.	.			trans	-54.2	136.8	-179.8	176.7	0	0	0	0	110.9	V223 D250 A251	V223-S248 PolarHBondContact O-N 3.34Å; S248-D250 PolarHBondContact O-N 3.37Å; S248-D250 VanDerWaalsContact O-N 3.13Å; S248-D250 PolarHBondContact OG-N 3.49Å; S248-A251 WeakPolarHBondContact O-CB 3.4Å; S248-A251 PolarHBondContact O-N 2.88Å
249	P	94	Very high	95.1	Very high	81 Å²	81	45 Å²	45	53%	0.526	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.5	173.9	-26.3	35.2	0	0	0	113.2
250	D	95.4	Very high	95.1	Very high	94 Å²	94	44.4 Å²	44.4	50%	0.503	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	11.4	-178.4	-57.9	-43.3	0	0	0	113	D226 S248 F252 V253	D226-D250 PolarHBondContact N-O 3.23Å; S248-D250 PolarHBondContact O-N 3.37Å; S248-D250 VanDerWaalsContact O-N 3.13Å; S248-D250 PolarHBondContact OG-N 3.49Å; D250-F252 PolarHBondContact O-N 3.46Å; D250-V253 HydrophobicContact CB-CG2 3.85Å; D250-V253 WeakPolarHBondContact O-CG2 3.38Å; D250-V253 PolarHBondContact O-N 3.03Å
251	A	96.8	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.4	178.5	0	0	0	0	0	113.5	V223 A224 A227 F228 I247 S248	V223-A251 HydrophobicContact CG1-CB 3.81Å; A224-A251 WeakPolarHBondContact O-CA 3.31Å; A224-A251 WeakPolarHBondContact O-CB 3.2Å; A227-A251 PolarHBondContact N-O 3.07Å; F228-A251 PolarHBondContact N-O 3.41Å; I247-A251 HydrophobicContact CG2-CB 4.1Å; S248-A251 WeakPolarHBondContact O-CB 3.4Å; S248-A251 PolarHBondContact O-N 2.88Å
252	F	95.6	Very high	95.1	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.022	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	15.9	-170.5	-66.5	-83.4	0	0	0	113.6	F228 M233 L236 I247 D250 G254 S255 L258 P272 I275	F228-F252 HydrophobicContact CB-CD1 4.19Å; F228-F252 AromaticContact CD2-CD1 3.92Å; F228-F252 HydrophobicContact CD2-CD1 3.92Å; F228-F252 AromaticContact CD2-CE1 3.6Å; F228-F252 HydrophobicContact CD2-CE1 3.6Å; F228-F252 AromaticContact CD2-CZ 3.98Å; F228-F252 HydrophobicContact CD2-CZ 3.98Å; F228-F252 AromaticContact CE2-CE1 3.95Å; F228-F252 HydrophobicContact CE2-CE1 3.95Å; F228-F252 HydrophobicContact CE2-CZ 4.01Å; F228-F252 HydrophobicContact CG-CD1 4.22Å; F228-F252 HydrophobicContact CG-CE1 4.11Å; M233-F252 HydrophobicContact CE-CD1 3.85Å; M233-F252 HydrophobicContact CE-CE1 3.53Å; L236-F252 HydrophobicContact CD2-CE1 3.7Å; L236-F252 HydrophobicContact CD2-CZ 3.74Å; I247-F252 HydrophobicContact CG2-CE2 3.89Å; D250-F252 PolarHBondContact O-N 3.46Å; F252-G254 PolarHBondContact O-N 3.26Å; F252-S255 WeakPolarHBondContact CA-OG 3.32Å; F252-S255 VanDerWaalsContact CB-OG 3.29Å; F252-S255 WeakPolarHBondContact CB-OG 3.49Å; F252-S255 WeakPolarHBondContact O-CB 3.21Å; F252-S255 PolarHBondContact O-N 3.01Å; F252-S255 PolarHBondContact O-OG 2.96Å; F252-L258 HydrophobicContact CE1-CD2 4.17Å; F252-P272 HydrophobicContact CD2-CB 4.17Å; F252-P272 HydrophobicContact CD2-CG 3.68Å; F252-P272 HydrophobicContact CE2-CB 4.44Å; F252-P272 HydrophobicContact CE2-CG 3.48Å; F252-P272 VanDerWaalsContact CE2-CG 3.48Å; F252-I275 HydrophobicContact CB-CG2 3.59Å; F252-I275 HydrophobicContact CD1-CG2 3.56Å; F252-I275 HydrophobicContact CD2-CD1 4.39Å; F252-I275 HydrophobicContact CD2-CG2 3.88Å; F252-I275 HydrophobicContact CE1-CD1 4.46Å; F252-I275 HydrophobicContact CE1-CG2 4.16Å; F252-I275 HydrophobicContact CE2-CD1 4.05Å; F252-I275 HydrophobicContact CE2-CG2 4.47Å; F252-I275 HydrophobicContact CG-CG2 3.39Å; F252-I275 HydrophobicContact CZ-CD1 4.08Å
253	V	92.1	Very high	95.2	Very high	65 Å²	65	36.9 Å²	36.9	39%	0.394	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	130.9	177.1	171.1	0	0	0	0	110.4	N229 G230 D250 S255	N229-V253 VanDerWaalsContact CA-O 3.28Å; N229-V253 WeakPolarHBondContact CA-O 3.31Å; N229-V253 PolarHBondContact OD1-O 3.48Å; G230-V253 PolarHBondContact N-O 2.92Å; D250-V253 HydrophobicContact CB-CG2 3.85Å; D250-V253 WeakPolarHBondContact O-CG2 3.38Å; D250-V253 PolarHBondContact O-N 3.03Å; V253-S255 PolarHBondContact O-N 3.49Å
254	G	89.1	Confident	95.3	Very high	57 Å²	57	31.4 Å²	31.4	59%	0.588	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	-1.1	-178.5	0	0	0	0	0	115.6	G230 F252	G230-G254 WeakPolarHBondContact CA-O 3.37Å; F252-G254 PolarHBondContact O-N 3.26Å
255	S	92.6	Very high	95.2	Very high	25 Å²	25	36.3 Å²	36.3	18%	0.175	22%	0.22	C	C	.	.			trans	-78	149.3	173	77.8	0	0	0	0	111	F228 T231 F252 V253	F228-S255 WeakPolarHBondContact O-CB 3.15Å; T231-S255 WeakPolarHBondContact O-CA 3.46Å; T231-S255 VanDerWaalsContact O-CB 3.25Å; T231-S255 WeakPolarHBondContact O-CB 3.38Å; F252-S255 WeakPolarHBondContact CA-OG 3.32Å; F252-S255 VanDerWaalsContact CB-OG 3.29Å; F252-S255 WeakPolarHBondContact CB-OG 3.49Å; F252-S255 WeakPolarHBondContact O-CB 3.21Å; F252-S255 PolarHBondContact O-N 3.01Å; F252-S255 PolarHBondContact O-OG 2.96Å; V253-S255 PolarHBondContact O-N 3.49Å
256	S	90.5	Very high	95.4	Very high	44 Å²	44	35.4 Å²	35.4	31%	0.308	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-147.6	167.8	-179.7	69.4	0	0	0	0	112.2	T231 K232 M233 L258	T231-S256 PolarHBondContact O-N 3.47Å; K232-S256 WeakPolarHBondContact CG-OG 3.41Å; M233-S256 PolarHBondContact N-O 2.84Å; S256-L258 VanDerWaalsContact C-N 3.27Å; S256-L258 PolarHBondContact O-N 2.85Å
257	E	89.6	Confident	95.5	Very high	77 Å²	77	32.4 Å²	32.4	36%	0.36	20%	0.199	S	C	.	.			trans	71.2	6.9	174.4	-53.8	-177.6	-151.6	0	0	116.1	M233 Y234 V259	M233-E257 CarbonylContact O-C 3.01Å; M233-E257 VanDerWaalsContact O-O 3.1Å; Y234-E257 HydrophobicContact CD1-CB 4.16Å; Y234-E257 HydrophobicContact CE1-CB 3.89Å; Y234-E257 WeakPolarHBondContact CE1-OE2 3.32Å; Y234-E257 PolarHBondContact OH-OE2 3.44Å; E257-V259 WeakPolarHBondContact O-CG2 3.41Å; E257-V259 PolarHBondContact O-N 3Å; E257-V259 VanDerWaalsContact O-N 3.08Å
258	L	95.7	Very high	95.5	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	20%	0.198	C	C	.	.			trans	-63.7	114.6	177.6	-173.4	64.4	0	0	0	111.3	M233 L236 F252 S256 V260 I275 G278 L279	M233-L258 HydrophobicContact CE-CD1 4.1Å; M233-L258 HydrophobicContact CE-CD2 4.19Å; M233-L258 HydrophobicContact CG-CD1 4.08Å; M233-L258 WeakPolarHBondContact O-CA 3.49Å; M233-L258 PolarHBondContact O-N 3.3Å; L236-L258 HydrophobicContact CB-CD1 3.79Å; F252-L258 HydrophobicContact CE1-CD2 4.17Å; S256-L258 VanDerWaalsContact C-N 3.27Å; S256-L258 PolarHBondContact O-N 2.85Å; L258-V260 WeakPolarHBondContact CD1-O 3.36Å; L258-I275 HydrophobicContact CD2-CB 4.1Å; L258-I275 HydrophobicContact CD2-CD1 3.91Å; L258-I275 HydrophobicContact CD2-CG2 4.07Å; L258-G278 CarbonylContact O-C 3.44Å; L258-G278 VanDerWaalsContact O-C 3.29Å; L258-L279 HydrophobicContact CD2-CD2 4.12Å; L258-L279 HydrophobicContact CG-CD2 3.87Å
259	V	95.6	Very high	95.3	Very high	40 Å²	40	34.6 Å²	34.6	24%	0.242	22%	0.215	C	C	.	.			trans	-103.8	-37.7	-178.1	176.2	0	0	0	0	111.5	Y234 E257 K280 K281	Y234-V259 HydrophobicContact CD1-CG2 4.22Å; Y234-V259 PolarHBondContact O-N 3.36Å; E257-V259 WeakPolarHBondContact O-CG2 3.41Å; E257-V259 PolarHBondContact O-N 3Å; E257-V259 VanDerWaalsContact O-N 3.08Å; V259-K280 HydrophobicContact CG1-CB 3.67Å; V259-K280 HydrophobicContact CG1-CD 3.89Å; V259-K280 HydrophobicContact CG1-CG 3.81Å; V259-K280 PolarHBondContact O-N 3.3Å; V259-K281 PolarHBondContact O-N 3.48Å
260	V	97.6	Very high	95.3	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.1	-176	-173	0	0	0	0	110.6	Y234 R235 L236 L258 K281	Y234-V260 PolarHBondContact O-N 3.09Å; R235-V260 WeakPolarHBondContact CA-O 3.19Å; R235-V260 HydrophobicContact CB-CB 4.3Å; R235-V260 HydrophobicContact CG-CB 3.98Å; R235-V260 HydrophobicContact CG-CG2 4.03Å; L236-V260 PolarHBondContact N-O 2.97Å; L258-V260 WeakPolarHBondContact CD1-O 3.36Å; V260-K281 WeakPolarHBondContact CA-O 3.29Å; V260-K281 HydrophobicContact CB-CB 4.47Å; V260-K281 HydrophobicContact CG1-CB 4.13Å; V260-K281 HydrophobicContact CG1-CD 4.24Å; V260-K281 HydrophobicContact CG1-CG 4.21Å; V260-K281 HydrophobicContact CG2-CB 4.07Å
261	L	98	Very high	95.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.1	170.6	177.7	66.9	0	0	0	109.5	L236 L238 V263 L271 I275 L279 K281 L282 L283	L236-L261 HydrophobicContact CB-CD1 4.35Å; L236-L261 HydrophobicContact CD2-CD1 4.09Å; L236-L261 HydrophobicContact CG-CD1 4.25Å; L238-L261 HydrophobicContact CD1-CD1 4.4Å; L261-V263 HydrophobicContact CD1-CG1 4Å; L261-V263 HydrophobicContact CD2-CG1 4.16Å; L261-V263 HydrophobicContact CG-CG1 4Å; L261-L271 HydrophobicContact CD2-CD2 4.28Å; L261-I275 HydrophobicContact CD2-CD1 3.75Å; L261-L279 HydrophobicContact CB-CD1 4.15Å; L261-L279 HydrophobicContact CB-CD2 3.78Å; L261-L279 HydrophobicContact CD2-CD1 4.36Å; L261-K281 PolarHBondContact N-O 3.49Å; L261-L282 HydrophobicContact CB-CD1 4.28Å; L261-L282 HydrophobicContact CD2-CD1 3.97Å; L261-L282 HydrophobicContact CG-CD1 4.29Å; L261-L283 PolarHBondContact O-N 3.09Å
262	D	98.4	Very high	95	Very high	18 Å²	18	29.8 Å²	29.8	10%	0.096	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	111.7	170.5	-175.8	10.7	0	0	0	111.1	L236 L237 L238 S239 S264 L283	L236-D262 PolarHBondContact O-N 3.22Å; L237-D262 HydrophobicContact CB-CB 4.4Å; L237-D262 HydrophobicContact CD2-CB 3.57Å; L238-D262 WeakPolarHBondContact CA-O 3.39Å; L238-D262 WeakPolarHBondContact CB-O 3.43Å; L238-D262 PolarHBondContact N-O 3.14Å; S239-D262 VanDerWaalsContact CB-OD2 3.23Å; S239-D262 WeakPolarHBondContact CB-OD2 3.37Å; S239-D262 PolarHBondContact N-O 2.98Å; S239-D262 PolarHBondContact OG-OD2 3.15Å; D262-S264 WeakPolarHBondContact OD1-CB 3.28Å; D262-S264 PolarHBondContact OD1-N 2.95Å; D262-S264 PolarHBondContact OD1-OG 3.01Å; D262-L283 CarbonylContact C-O 3.58Å; D262-L283 WeakPolarHBondContact CA-O 3.05Å; D262-L283 HydrophobicContact CB-CB 3.97Å; D262-L283 HydrophobicContact CB-CD1 4.1Å; D262-L283 HydrophobicContact CB-CG 4.48Å; D262-L283 WeakPolarHBondContact OD1-CB 3.26Å
263	V	98	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.207	C	C	.	.			trans	-115.6	22.1	174.1	-64.8	0	0	0	0	111	L238 I247 L261 T266 V268 L271 L283 A284	L238-V263 HydrophobicContact CB-CG1 4.5Å; L238-V263 HydrophobicContact CD1-CG1 4.19Å; I247-V263 HydrophobicContact CD1-CG1 4.31Å; L261-V263 HydrophobicContact CD1-CG1 4Å; L261-V263 HydrophobicContact CD2-CG1 4.16Å; L261-V263 HydrophobicContact CG-CG1 4Å; V263-T266 WeakPolarHBondContact O-CB 3.28Å; V263-T266 VanDerWaalsContact O-CG2 3.29Å; V263-T266 WeakPolarHBondContact O-CG2 2.96Å; V263-T266 PolarHBondContact O-OG1 3.23Å; V263-V268 HydrophobicContact CB-CG1 4.19Å; V263-V268 HydrophobicContact CG2-CG1 4.15Å; V263-L271 HydrophobicContact CG1-CD2 4.5Å; V263-L271 HydrophobicContact CG2-CD2 4.06Å; V263-L283 WeakPolarHBondContact CG2-O 3.43Å; V263-L283 PolarHBondContact N-O 3.4Å; V263-A284 HydrophobicContact CG2-CB 3.73Å
264	S	98.4	Very high	94.6	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.049	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	144.6	-179.4	-53.8	0	0	0	0	111.5	S239 G240 D262 T266 E285	S239-S264 CarbonylContact C-O 3.03Å; S239-S264 WeakPolarHBondContact CA-O 3.07Å; S239-S264 VanDerWaalsContact CB-O 3.26Å; S239-S264 WeakPolarHBondContact CB-O 3.01Å; G240-S264 PolarHBondContact N-O 3Å; D262-S264 WeakPolarHBondContact OD1-CB 3.28Å; D262-S264 PolarHBondContact OD1-N 2.95Å; D262-S264 PolarHBondContact OD1-OG 3.01Å; S264-T266 VanDerWaalsContact C-N 3.3Å; S264-T266 PolarHBondContact O-N 3.01Å; S264-E285 CarbonylContact C-O 3.57Å; S264-E285 WeakPolarHBondContact CA-O 3.07Å; S264-E285 VanDerWaalsContact CB-O 3.24Å; S264-E285 WeakPolarHBondContact CB-O 3.25Å; S264-E285 PolarHBondContact OG-N 3.06Å; S264-E285 VanDerWaalsContact OG-N 3.08Å
265	Q	97.9	Very high	94.5	Very high	103 Å²	103	31.3 Å²	31.3	48%	0.481	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	41	-179	-51.7	170.8	41.8	0	0	113	N241 E285	N241-Q265 CarbonylContact C-O 3.54Å; Q265-E285 PolarHBondContact N-O 3.11Å
266	T	98.4	Very high	94.4	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-119.9	168.7	173.4	67.7	0	0	0	0	110.8	L238 N241 L244 V263 S264 V268 A287	L238-T266 WeakPolarHBondContact O-CG2 3.2Å; N241-T266 HydrophobicContact CB-CG2 4.39Å; N241-T266 WeakPolarHBondContact O-CA 3.42Å; L244-T266 HydrophobicContact CB-CG2 4.31Å; L244-T266 HydrophobicContact CD2-CG2 4.16Å; V263-T266 WeakPolarHBondContact O-CB 3.28Å; V263-T266 VanDerWaalsContact O-CG2 3.29Å; V263-T266 WeakPolarHBondContact O-CG2 2.96Å; V263-T266 PolarHBondContact O-OG1 3.23Å; S264-T266 VanDerWaalsContact C-N 3.3Å; S264-T266 PolarHBondContact O-N 3.01Å; T266-V268 VanDerWaalsContact C-N 3.34Å; T266-V268 WeakPolarHBondContact OG1-CG1 3.01Å; T266-A287 WeakPolarHBondContact O-CA 3.31Å
267	A	97.5	Very high	94.2	Very high	22 Å²	22	29.4 Å²	29.4	18%	0.182	18%	0.18	C	C	.	.			trans	-96.7	19	175.4	0	0	0	0	0	112.6	K242 L244 G245 S269 H289	K242-A267 WeakPolarHBondContact O-CB 3.05Å; L244-A267 CarbonylContact O-C 3.53Å; L244-A267 VanDerWaalsContact O-CA 3.27Å; L244-A267 WeakPolarHBondContact O-CA 3.47Å; L244-A267 PolarHBondContact O-N 3.47Å; G245-A267 WeakPolarHBondContact CA-O 3.2Å; A267-S269 PolarHBondContact O-N 3.43Å; A267-H289 WeakPolarHBondContact O-CB 3.45Å
268	V	97	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.177	C	C	.	.			trans	-63.7	132	-172.8	72	0	0	0	0	110.7	L244 I247 V263 T266 S270 H289 L290	L244-V268 PolarHBondContact O-N 3.31Å; I247-V268 HydrophobicContact CD1-CG2 3.97Å; I247-V268 HydrophobicContact CG1-CG2 4.17Å; V263-V268 HydrophobicContact CB-CG1 4.19Å; V263-V268 HydrophobicContact CG2-CG1 4.15Å; T266-V268 VanDerWaalsContact C-N 3.34Å; T266-V268 WeakPolarHBondContact OG1-CG1 3.01Å; V268-S270 WeakPolarHBondContact CG2-O 3.3Å; V268-H289 CarbonylContact O-C 3.34Å; V268-H289 VanDerWaalsContact O-C 3.3Å; V268-L290 HydrophobicContact CG1-CB 4.47Å; V268-L290 WeakPolarHBondContact O-CA 3.04Å; V268-L290 WeakPolarHBondContact O-CB 3.36Å; V268-L290 PolarHBondContact O-N 3.01Å
269	S	94.1	Very high	94	Very high	66 Å²	66	26.8 Å²	26.8	46%	0.462	18%	0.175	S	C	.	.			trans	-94.3	-22.2	179.8	55.8	0	0	0	0	114	G245 A267	G245-S269 PolarHBondContact O-N 3.45Å; A267-S269 PolarHBondContact O-N 3.43Å
270	S	93.9	Very high	93.9	Very high	60 Å²	60	28.9 Å²	28.9	42%	0.42	18%	0.181	S	C	.	.			trans	-152.8	149.6	-175.6	52.4	0	0	0	0	111.7	V268	V268-S270 WeakPolarHBondContact CG2-O 3.3Å
271	L	94	Very high	93.7	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.042	19%	0.193	C	C	.	.			trans	-99.9	139.7	174.8	-59.6	175.7	0	0	0	110.2	L261 V263 L276 L282 L290 P294	L261-L271 HydrophobicContact CD2-CD2 4.28Å; V263-L271 HydrophobicContact CG1-CD2 4.5Å; V263-L271 HydrophobicContact CG2-CD2 4.06Å; L271-L276 HydrophobicContact CB-CD2 4.19Å; L271-L282 HydrophobicContact CD1-CD1 4.02Å; L271-L282 HydrophobicContact CD1-CD2 3.81Å; L271-L290 HydrophobicContact CD1-CD2 4.29Å; L271-L290 HydrophobicContact CD2-CD2 4.48Å; L271-L290 HydrophobicContact CG-CD1 4.17Å; L271-L290 HydrophobicContact CG-CD2 4.31Å; L271-P294 HydrophobicContact CB-CG 4.22Å
272	P	92	Very high	93.7	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	19%	0.193	C	C	.	.			trans	-68.8	134.2	176.8	20	-22.9	0	0	0	111.1	I247 F252 S274 I275 L276	I247-P272 HydrophobicContact CG2-CG 3.88Å; F252-P272 HydrophobicContact CD2-CB 4.17Å; F252-P272 HydrophobicContact CD2-CG 3.68Å; F252-P272 HydrophobicContact CE2-CB 4.44Å; F252-P272 HydrophobicContact CE2-CG 3.48Å; F252-P272 VanDerWaalsContact CE2-CG 3.48Å; P272-S274 VanDerWaalsContact C-N 3.33Å; P272-S274 PolarHBondContact O-N 2.89Å; P272-I275 HydrophobicContact CG-CD1 4Å; P272-I275 HydrophobicContact CG-CG1 4.24Å; P272-I275 VanDerWaalsContact O-CG1 3.29Å; P272-I275 WeakPolarHBondContact O-CG1 3.17Å; P272-L276 WeakPolarHBondContact O-CG 2.96Å
273	D	90.1	Very high	93.6	Very high	71 Å²	71	31.8 Å²	31.8	38%	0.38	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-70.2	-29.2	-171.5	-80.5	-34.1	0	0	0	114.3	I275 L276 R298	D273-I275 PolarHBondContact O-N 2.98Å; D273-L276 PolarHBondContact O-N 2.66Å; D273-R298 IonicContact OD1-CZ 3.39Å; D273-R298 IonicContact OD1-NH1 2.95Å; D273-R298 PolarHBondContact OD1-NH1 2.9Å; D273-R298 IonicContact OD2-CZ 2.76Å; D273-R298 IonicContact OD2-NH1 3.68Å; D273-R298 PolarHBondContact OD2-NH1 3.25Å; D273-R298 IonicContact OD2-NH2 3.46Å
274	S	87.6	Confident	93.6	Very high	79 Å²	79	31.9 Å²	31.9	55%	0.552	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-59.9	-29.6	-174.5	48.8	0	0	0	0	113.4	P272	P272-S274 VanDerWaalsContact C-N 3.33Å; P272-S274 PolarHBondContact O-N 2.89Å
275	I	88.6	Confident	93.5	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.046	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-95	-17.6	-175.4	57.7	169.8	0	0	0	114	F252 L258 L261 P272 D273 G277 G278 L279	F252-I275 HydrophobicContact CB-CG2 3.59Å; F252-I275 HydrophobicContact CD1-CG2 3.56Å; F252-I275 HydrophobicContact CD2-CD1 4.39Å; F252-I275 HydrophobicContact CD2-CG2 3.88Å; F252-I275 HydrophobicContact CE1-CD1 4.46Å; F252-I275 HydrophobicContact CE1-CG2 4.16Å; F252-I275 HydrophobicContact CE2-CD1 4.05Å; F252-I275 HydrophobicContact CE2-CG2 4.47Å; F252-I275 HydrophobicContact CG-CG2 3.39Å; F252-I275 HydrophobicContact CZ-CD1 4.08Å; L258-I275 HydrophobicContact CD2-CB 4.1Å; L258-I275 HydrophobicContact CD2-CD1 3.91Å; L258-I275 HydrophobicContact CD2-CG2 4.07Å; L261-I275 HydrophobicContact CD2-CD1 3.75Å; P272-I275 HydrophobicContact CG-CD1 4Å; P272-I275 HydrophobicContact CG-CG1 4.24Å; P272-I275 VanDerWaalsContact O-CG1 3.29Å; P272-I275 WeakPolarHBondContact O-CG1 3.17Å; D273-I275 PolarHBondContact O-N 2.98Å; I275-G277 VanDerWaalsContact C-N 3.27Å; I275-G277 PolarHBondContact O-N 3.43Å; I275-G278 PolarHBondContact O-N 2.89Å; I275-G278 VanDerWaalsContact O-N 3.11Å; I275-L279 WeakPolarHBondContact O-CG 3.33Å; I275-L279 PolarHBondContact O-N 3.45Å
276	L	89.8	Confident	93.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.4	-167.9	-54.1	179.2	0	0	0	113.5	L271 P272 D273 G278 L279 P294 R298 Y299	L271-L276 HydrophobicContact CB-CD2 4.19Å; P272-L276 WeakPolarHBondContact O-CG 2.96Å; D273-L276 PolarHBondContact O-N 2.66Å; L276-G278 VanDerWaalsContact C-N 3.3Å; L276-G278 PolarHBondContact O-N 2.91Å; L276-L279 HydrophobicContact CD2-CD1 4.19Å; L276-P294 HydrophobicContact CD1-CB 3.43Å; L276-P294 VanDerWaalsContact CD1-CB 3.43Å; L276-P294 HydrophobicContact CD1-CG 3.66Å; L276-R298 CarbonylContact C-O 3.51Å; L276-R298 HydrophobicContact CB-CB 4.13Å; L276-R298 HydrophobicContact CD1-CB 4.22Å; L276-Y299 HydrophobicContact CB-CD1 4.24Å; L276-Y299 HydrophobicContact CB-CE1 4.16Å; L276-Y299 HydrophobicContact CD1-CE1 4.36Å; L276-Y299 HydrophobicContact CD1-CE2 4.29Å; L276-Y299 HydrophobicContact CD2-CE1 3.71Å; L276-Y299 HydrophobicContact CG-CE1 4.28Å
277	G	86.4	Confident	93.4	Very high	29 Å²	29	32.5 Å²	32.5	30%	0.299	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.5	178.5	0	0	0	0	0	114.4	I275 R298 T300 K301	I275-G277 VanDerWaalsContact C-N 3.27Å; I275-G277 PolarHBondContact O-N 3.43Å; G277-R298 WeakPolarHBondContact CA-O 3.46Å; G277-R298 PolarHBondContact N-O 3.29Å; G277-T300 PolarHBondContact O-OG1 3.3Å; G277-T300 VanDerWaalsContact O-OG1 3.05Å; G277-K301 WeakPolarHBondContact O-CG 2.97Å
278	G	88.1	Confident	93.2	Very high	30 Å²	30	38.2 Å²	38.2	31%	0.309	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-28.1	180	0	0	0	0	0	114.1	L258 I275 L276 K280	L258-G278 CarbonylContact O-C 3.44Å; L258-G278 VanDerWaalsContact O-C 3.29Å; I275-G278 PolarHBondContact O-N 2.89Å; I275-G278 VanDerWaalsContact O-N 3.11Å; L276-G278 VanDerWaalsContact C-N 3.3Å; L276-G278 PolarHBondContact O-N 2.91Å; G278-K280 PolarHBondContact O-N 2.9Å
279	L	93.3	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.246	C	C	.	.			trans	-64.4	130.5	-169.6	-69.6	176.1	0	0	0	112.7	L258 L261 I275 L276 K301 L302	L258-L279 HydrophobicContact CD2-CD2 4.12Å; L258-L279 HydrophobicContact CG-CD2 3.87Å; L261-L279 HydrophobicContact CB-CD1 4.15Å; L261-L279 HydrophobicContact CB-CD2 3.78Å; L261-L279 HydrophobicContact CD2-CD1 4.36Å; I275-L279 WeakPolarHBondContact O-CG 3.33Å; I275-L279 PolarHBondContact O-N 3.45Å; L276-L279 HydrophobicContact CD2-CD1 4.19Å; L279-K301 CarbonylContact O-C 3.51Å; L279-L302 HydrophobicContact CB-CD1 4.26Å; L279-L302 WeakPolarHBondContact O-CA 3.42Å; L279-L302 PolarHBondContact O-N 3.46Å
280	K	92	Very high	93.1	Very high	85 Å²	85	41 Å²	41	37%	0.37	23%	0.225	S	C	.	.	S	Bend	trans	-99.1	-26.7	166	-62.2	-172.5	178.7	-170.5	0	112.2	V259 G278 K301 H303 I304	V259-K280 HydrophobicContact CG1-CB 3.67Å; V259-K280 HydrophobicContact CG1-CD 3.89Å; V259-K280 HydrophobicContact CG1-CG 3.81Å; V259-K280 PolarHBondContact O-N 3.3Å; G278-K280 PolarHBondContact O-N 2.9Å; K280-K301 WeakPolarHBondContact CA-O 3.24Å; K280-K301 HydrophobicContact CG-CB 4.49Å; K280-H303 PolarHBondContact O-N 2.76Å; K280-I304 PolarHBondContact O-N 2.66Å
281	K	94.9	Very high	93	Very high	66 Å²	66	41.4 Å²	41.4	29%	0.287	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.8	-179	-175	171.4	180	-176.9	0	111.3	V259 V260 L261 L283 I304	V259-K281 PolarHBondContact O-N 3.48Å; V260-K281 WeakPolarHBondContact CA-O 3.29Å; V260-K281 HydrophobicContact CB-CB 4.47Å; V260-K281 HydrophobicContact CG1-CB 4.13Å; V260-K281 HydrophobicContact CG1-CD 4.24Å; V260-K281 HydrophobicContact CG1-CG 4.21Å; V260-K281 HydrophobicContact CG2-CB 4.07Å; L261-K281 PolarHBondContact N-O 3.49Å; K281-L283 HydrophobicContact CG-CD2 4.24Å; K281-L283 HydrophobicContact CG-CG 4.34Å; K281-I304 WeakPolarHBondContact CA-O 3.48Å; K281-I304 HydrophobicContact CB-CB 4.38Å; K281-I304 HydrophobicContact CD-CD1 4.44Å; K281-I304 HydrophobicContact CD-CG2 4.44Å; K281-I304 HydrophobicContact CG-CB 4.01Å; K281-I304 HydrophobicContact CG-CG2 4.07Å
282	L	96.8	Very high	92.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.2	174.2	176.5	62.5	0	0	0	109.2	L261 L271 Y299 L302 I304 A305 K306 L307	L261-L282 HydrophobicContact CB-CD1 4.28Å; L261-L282 HydrophobicContact CD2-CD1 3.97Å; L261-L282 HydrophobicContact CG-CD1 4.29Å; L271-L282 HydrophobicContact CD1-CD1 4.02Å; L271-L282 HydrophobicContact CD1-CD2 3.81Å; L282-Y299 HydrophobicContact CD2-CE1 4.21Å; L282-L302 HydrophobicContact CB-CD1 3.91Å; L282-I304 PolarHBondContact N-O 2.65Å; L282-A305 CarbonylContact O-C 3.39Å; L282-A305 WeakPolarHBondContact O-CA 3.36Å; L282-K306 PolarHBondContact O-N 3.26Å; L282-L307 HydrophobicContact CD2-CD2 4.07Å; L282-L307 HydrophobicContact CG-CD2 4.37Å
283	L	97.8	Very high	92.8	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.115	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.4	173.9	-54.2	178.5	0	0	0	108.5	L261 D262 V263 K281 K306	L261-L283 PolarHBondContact O-N 3.09Å; D262-L283 CarbonylContact C-O 3.58Å; D262-L283 WeakPolarHBondContact CA-O 3.05Å; D262-L283 HydrophobicContact CB-CB 3.97Å; D262-L283 HydrophobicContact CB-CD1 4.1Å; D262-L283 HydrophobicContact CB-CG 4.48Å; D262-L283 WeakPolarHBondContact OD1-CB 3.26Å; V263-L283 WeakPolarHBondContact CG2-O 3.43Å; V263-L283 PolarHBondContact N-O 3.4Å; K281-L283 HydrophobicContact CG-CD2 4.24Å; K281-L283 HydrophobicContact CG-CG 4.34Å; L283-K306 CarbonylContact C-O 3.36Å; L283-K306 WeakPolarHBondContact CA-O 3.13Å; L283-K306 HydrophobicContact CD2-CB 3.64Å; L283-K306 HydrophobicContact CD2-CD 3.74Å; L283-K306 HydrophobicContact CD2-CG 3.58Å
284	A	97.4	Very high	92.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.226	C	C	.	.			trans	-145.7	49.1	-179.8	0	0	0	0	0	109	V263 A287 L290 K306 L307 T308	V263-A284 HydrophobicContact CG2-CB 3.73Å; A284-A287 HydrophobicContact CB-CB 4.34Å; A284-L290 HydrophobicContact CB-CD2 3.95Å; A284-K306 PolarHBondContact N-O 3.29Å; A284-L307 HydrophobicContact CB-CD2 4.12Å; A284-L307 CarbonylContact O-C 3.3Å; A284-T308 PolarHBondContact O-N 2.91Å; A284-T308 VanDerWaalsContact O-N 3.08Å; A284-T308 PolarHBondContact O-OG1 3.16Å
285	E	96.7	Very high	92.4	Very high	77 Å²	77	44 Å²	44	36%	0.36	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	135.9	178.2	-62.4	179.1	98	0	0	109.3	S264 Q265 A287 K306	S264-E285 CarbonylContact C-O 3.57Å; S264-E285 WeakPolarHBondContact CA-O 3.07Å; S264-E285 VanDerWaalsContact CB-O 3.24Å; S264-E285 WeakPolarHBondContact CB-O 3.25Å; S264-E285 PolarHBondContact OG-N 3.06Å; S264-E285 VanDerWaalsContact OG-N 3.08Å; Q265-E285 PolarHBondContact N-O 3.11Å; E285-A287 PolarHBondContact O-N 3.09Å; E285-K306 HydrophobicContact CG-CB 3.72Å; E285-K306 WeakPolarHBondContact OE2-CD 3.39Å
286	S	96.6	Very high	92	Very high	53 Å²	53	44.4 Å²	44.4	37%	0.371	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	29.7	-175.7	-47.5	0	0	0	0	115.2	T308	S286-T308 PolarHBondContact N-OG1 2.93Å
287	A	96.4	Very high	91.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.			trans	-98	68.6	172.2	0	0	0	0	0	110.3	T266 A284 E285 H289 L290 T308	T266-A287 WeakPolarHBondContact O-CA 3.31Å; A284-A287 HydrophobicContact CB-CB 4.34Å; E285-A287 PolarHBondContact O-N 3.09Å; A287-H289 PolarHBondContact O-N 2.97Å; A287-L290 HydrophobicContact CB-CB 4.29Å; A287-L290 WeakPolarHBondContact O-CB 3.35Å; A287-L290 PolarHBondContact O-N 3.16Å; A287-T308 PolarHBondContact N-OG1 3.44Å
288	Y	93.9	Very high	91.3	Very high	142 Å²	142	55.2 Å²	55.2	56%	0.557	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.6	-169.1	-60	-75.3	0	0	0	114.8	L290 T308 Y309	Y288-L290 VanDerWaalsContact C-N 3.32Å; Y288-T308 HydrophobicContact CD1-CG2 3.54Å; Y288-T308 HydrophobicContact CE1-CG2 3.65Å; Y288-T308 HydrophobicContact CG-CG2 4.3Å; Y288-Y309 WeakPolarHBondContact CA-OH 3.08Å; Y288-Y309 PolarHBondContact O-OH 3.16Å
289	H	94.9	Very high	91.2	Very high	120 Å²	120	53.9 Å²	53.9	56%	0.556	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.8	176.3	-73.4	-96.1	0	0	0	113.1	A267 V268 A287 K291	A267-H289 WeakPolarHBondContact O-CB 3.45Å; V268-H289 CarbonylContact O-C 3.34Å; V268-H289 VanDerWaalsContact O-C 3.3Å; A287-H289 PolarHBondContact O-N 2.97Å; H289-K291 PolarHBondContact O-N 3.32Å
290	L	94.8	Very high	90.7	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	27%	0.272	C	S	.	.			trans	-77.8	75.9	174.9	-172.2	65.3	0	0	0	108.3	V268 L271 A284 A287 Y288 K292 L293 Y309 H312	V268-L290 HydrophobicContact CG1-CB 4.47Å; V268-L290 WeakPolarHBondContact O-CA 3.04Å; V268-L290 WeakPolarHBondContact O-CB 3.36Å; V268-L290 PolarHBondContact O-N 3.01Å; L271-L290 HydrophobicContact CD1-CD2 4.29Å; L271-L290 HydrophobicContact CD2-CD2 4.48Å; L271-L290 HydrophobicContact CG-CD1 4.17Å; L271-L290 HydrophobicContact CG-CD2 4.31Å; A284-L290 HydrophobicContact CB-CD2 3.95Å; A287-L290 HydrophobicContact CB-CB 4.29Å; A287-L290 WeakPolarHBondContact O-CB 3.35Å; A287-L290 PolarHBondContact O-N 3.16Å; Y288-L290 VanDerWaalsContact C-N 3.32Å; L290-K292 WeakPolarHBondContact CD1-O 3.22Å; L290-L293 HydrophobicContact CD2-CD2 4.33Å; L290-Y309 WeakPolarHBondContact O-CE2 3.22Å; L290-H312 PolarHBondContact O-CE1 3.46Å
291	K	91.9	Very high	90.4	Very high	69 Å²	69	59.1 Å²	59.1	30%	0.3	28%	0.278	S	S	.	.			trans	-82.2	-23.2	-178.8	-62.4	-172.1	-177.4	-173.9	0	112.7	H289 H312 I442 D443	H289-K291 PolarHBondContact O-N 3.32Å; K291-H312 PolarHBondContact O-NE2 2.99Å; K291-I442 HydrophobicContact CB-CG2 4.41Å; K291-I442 HydrophobicContact CD-CG2 4.06Å; K291-I442 HydrophobicContact CG-CG2 4Å; K291-D443 WeakPolarHBondContact CD-OD1 3.32Å; K291-D443 IonicContact NZ-OD1 2.81Å
292	K	91.3	Very high	90.1	Very high	96 Å²	96	56 Å²	56	42%	0.417	27%	0.265	S	S	.	.			trans	-122.4	138.4	-177.2	-63.5	180	-176.3	170	0	111	L290 N439 D443	L290-K292 WeakPolarHBondContact CD1-O 3.22Å; K292-N439 VanDerWaalsContact CA-OD1 3.27Å; K292-N439 WeakPolarHBondContact CA-OD1 3.41Å; K292-D443 WeakPolarHBondContact CE-OD2 3.5Å; K292-D443 IonicContact NZ-OD2 2.73Å; K292-D443 PolarHBondContact NZ-OD2 3.34Å
293	L	89.6	Confident	89.7	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-96.3	144.6	167.3	-68.5	-175.7	0	0	0	111	L290 L307 H312 F316 N439	L290-L293 HydrophobicContact CD2-CD2 4.33Å; L293-L307 HydrophobicContact CD1-CD1 4.01Å; L293-H312 HydrophobicContact CD1-CB 3.64Å; L293-H312 HydrophobicContact CG-CB 4.21Å; L293-F316 HydrophobicContact CD1-CE2 3.99Å; L293-F316 HydrophobicContact CD1-CZ 4.16Å; L293-N439 PolarHBondContact N-OD1 2.93Å; L293-N439 PolarHBondContact O-ND2 3.28Å
294	P	87.6	Confident	89.3	Confident	21 Å²	21	60.9 Å²	60.9	14%	0.136	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-54.7	163.5	162.6	-26.8	33.4	0	0	0	112.9	L271 L276 V296 Y299	L271-P294 HydrophobicContact CB-CG 4.22Å; L276-P294 HydrophobicContact CD1-CB 3.43Å; L276-P294 VanDerWaalsContact CD1-CB 3.43Å; L276-P294 HydrophobicContact CD1-CG 3.66Å; P294-V296 PolarHBondContact O-N 3.37Å; P294-Y299 HydrophobicContact CB-CE2 4.34Å; P294-Y299 WeakPolarHBondContact CD-OH 3.42Å
295	I	82.1	Confident	89.2	Confident	94 Å²	94	60.8 Å²	60.8	48%	0.482	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-57.3	128.8	-177	-66.9	160.2	0	0	0	111.2	Q297 R298	I295-Q297 VanDerWaalsContact C-N 3.25Å; I295-Q297 HydrophobicContact CG2-CB 4.19Å; I295-Q297 PolarHBondContact O-N 3.31Å; I295-Q297 VanDerWaalsContact O-N 3.17Å; I295-R298 WeakPolarHBondContact O-CB 3.25Å; I295-R298 PolarHBondContact O-N 3.05Å
296	V	78.9	Confident	89.2	Confident	17 Å²	17	60.9 Å²	60.9	10%	0.103	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35.1	-172.8	-177.1	0	0	0	0	113.1	P294 R298 Y299 A315 F316 M319	P294-V296 PolarHBondContact O-N 3.37Å; V296-R298 PolarHBondContact O-N 2.67Å; V296-Y299 PolarHBondContact O-N 3.44Å; V296-A315 WeakPolarHBondContact CG1-O 3.45Å; V296-A315 HydrophobicContact CG2-CB 3.53Å; V296-F316 HydrophobicContact CG1-CD1 4.01Å; V296-F316 HydrophobicContact CG1-CE1 4.19Å; V296-M319 HydrophobicContact CG1-CB 4.38Å; V296-M319 HydrophobicContact CG1-CG 4Å; V296-M319 HydrophobicContact CG1-SD 3.4Å; V296-M319 WeakPolarHBondContact CG1-SD 3.35Å
297	Q	79.4	Confident	89.1	Confident	152 Å²	152	58.6 Å²	58.6	71%	0.71	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-57.1	-22.5	178.5	-70.9	85.2	-19.8	0	0	113.4	I295 Y299 T300	I295-Q297 VanDerWaalsContact C-N 3.25Å; I295-Q297 HydrophobicContact CG2-CB 4.19Å; I295-Q297 PolarHBondContact O-N 3.31Å; I295-Q297 VanDerWaalsContact O-N 3.17Å; Q297-Y299 VanDerWaalsContact C-N 3.32Å; Q297-T300 WeakPolarHBondContact O-CG2 3.29Å
298	R	83.7	Confident	89	Confident	104 Å²	104	60 Å²	60	39%	0.392	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-74.9	-22.2	178.4	-59.1	-170.2	-173.8	-157.5	14.4	112.7	D273 L276 G277 I295 V296 T300	D273-R298 IonicContact OD1-CZ 3.39Å; D273-R298 IonicContact OD1-NH1 2.95Å; D273-R298 PolarHBondContact OD1-NH1 2.9Å; D273-R298 IonicContact OD2-CZ 2.76Å; D273-R298 IonicContact OD2-NH1 3.68Å; D273-R298 PolarHBondContact OD2-NH1 3.25Å; D273-R298 IonicContact OD2-NH2 3.46Å; L276-R298 CarbonylContact C-O 3.51Å; L276-R298 HydrophobicContact CB-CB 4.13Å; L276-R298 HydrophobicContact CD1-CB 4.22Å; G277-R298 WeakPolarHBondContact CA-O 3.46Å; G277-R298 PolarHBondContact N-O 3.29Å; I295-R298 WeakPolarHBondContact O-CB 3.25Å; I295-R298 PolarHBondContact O-N 3.05Å; V296-R298 PolarHBondContact O-N 2.67Å; R298-T300 PolarHBondContact O-N 3.19Å
299	Y	85.8	Confident	88.7	Confident	1 Å²	1	55 Å²	55	0%	0.004	26%	0.26	C	S	.	.			trans	-83.3	56	-179	-62.9	-85.7	0	0	0	112.5	L276 L282 P294 V296 Q297 K301 L302 F316	L276-Y299 HydrophobicContact CB-CD1 4.24Å; L276-Y299 HydrophobicContact CB-CE1 4.16Å; L276-Y299 HydrophobicContact CD1-CE1 4.36Å; L276-Y299 HydrophobicContact CD1-CE2 4.29Å; L276-Y299 HydrophobicContact CD2-CE1 3.71Å; L276-Y299 HydrophobicContact CG-CE1 4.28Å; L282-Y299 HydrophobicContact CD2-CE1 4.21Å; P294-Y299 HydrophobicContact CB-CE2 4.34Å; P294-Y299 WeakPolarHBondContact CD-OH 3.42Å; V296-Y299 PolarHBondContact O-N 3.44Å; Q297-Y299 VanDerWaalsContact C-N 3.32Å; Y299-K301 VanDerWaalsContact C-N 3.26Å; Y299-K301 PolarHBondContact O-N 3.23Å; Y299-L302 HydrophobicContact CD1-CB 4.35Å; Y299-L302 HydrophobicContact CD1-CD1 4.49Å; Y299-L302 HydrophobicContact CD1-CD2 3.74Å; Y299-L302 HydrophobicContact CD1-CG 4.43Å; Y299-L302 HydrophobicContact CE1-CD2 4.41Å; Y299-L302 HydrophobicContact CG-CD2 4.14Å; Y299-L302 PolarHBondContact O-N 3.26Å; Y299-F316 HydrophobicContact CD2-CE1 4.12Å; Y299-F316 HydrophobicContact CD2-CZ 4.49Å; Y299-F316 HydrophobicContact CG-CE1 4.14Å
300	T	82.6	Confident	88.4	Confident	80 Å²	80	50.5 Å²	50.5	49%	0.491	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.9	-170.8	63.3	0	0	0	0	113.9	G277 Q297 R298 R321	G277-T300 PolarHBondContact O-OG1 3.3Å; G277-T300 VanDerWaalsContact O-OG1 3.05Å; Q297-T300 WeakPolarHBondContact O-CG2 3.29Å; R298-T300 PolarHBondContact O-N 3.19Å; T300-R321 PolarHBondContact O-NE 2.87Å; T300-R321 PolarHBondContact O-NH2 3.41Å
301	K	85.9	Confident	88	Confident	115 Å²	115	50.9 Å²	50.9	50%	0.5	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	2.2	-177.6	-63.2	-179.8	-173.1	174.9	0	114.7	G277 L279 K280 Y299 H303	G277-K301 WeakPolarHBondContact O-CG 2.97Å; L279-K301 CarbonylContact O-C 3.51Å; K280-K301 WeakPolarHBondContact CA-O 3.24Å; K280-K301 HydrophobicContact CG-CB 4.49Å; Y299-K301 VanDerWaalsContact C-N 3.26Å; Y299-K301 PolarHBondContact O-N 3.23Å; K301-H303 PolarHBondContact O-CD2 3.37Å; K301-H303 PolarHBondContact O-N 2.97Å; K301-H303 PolarHBondContact O-NE2 3.48Å
302	L	88.4	Confident	87.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.			trans	-65.4	133	-176	-166	73.2	0	0	0	112.4	L279 L282 Y299 A305 F316 R321 V352	L279-L302 HydrophobicContact CB-CD1 4.26Å; L279-L302 WeakPolarHBondContact O-CA 3.42Å; L279-L302 PolarHBondContact O-N 3.46Å; L282-L302 HydrophobicContact CB-CD1 3.91Å; Y299-L302 HydrophobicContact CD1-CB 4.35Å; Y299-L302 HydrophobicContact CD1-CD1 4.49Å; Y299-L302 HydrophobicContact CD1-CD2 3.74Å; Y299-L302 HydrophobicContact CD1-CG 4.43Å; Y299-L302 HydrophobicContact CE1-CD2 4.41Å; Y299-L302 HydrophobicContact CG-CD2 4.14Å; Y299-L302 PolarHBondContact O-N 3.26Å; L302-A305 HydrophobicContact CD2-CB 4.16Å; L302-F316 HydrophobicContact CD2-CD1 4.41Å; L302-F316 HydrophobicContact CD2-CE1 3.71Å; L302-F316 HydrophobicContact CD2-CZ 3.84Å; L302-R321 PolarHBondContact O-NH2 3.36Å; L302-V352 HydrophobicContact CD2-CG1 4.1Å; L302-V352 HydrophobicContact CG-CG1 4.25Å
303	H	87.4	Confident	87.8	Confident	58 Å²	58	43.5 Å²	43.5	27%	0.269	21%	0.213	S	C	.	.			trans	-121.3	-34.2	177.6	-69.6	-77.3	0	0	0	112.4	K280 K301 S353	K280-H303 PolarHBondContact O-N 2.76Å; K301-H303 PolarHBondContact O-CD2 3.37Å; K301-H303 PolarHBondContact O-N 2.97Å; K301-H303 PolarHBondContact O-NE2 3.48Å; H303-S353 PolarHBondContact O-N 3.13Å
304	I	90.8	Very high	87.6	Confident	67 Å²	67	44.1 Å²	44.1	34%	0.344	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.6	-177.9	-60.3	173	0	0	0	108.8	K280 K281 L282 K306 S353	K280-I304 PolarHBondContact O-N 2.66Å; K281-I304 WeakPolarHBondContact CA-O 3.48Å; K281-I304 HydrophobicContact CB-CB 4.38Å; K281-I304 HydrophobicContact CD-CD1 4.44Å; K281-I304 HydrophobicContact CD-CG2 4.44Å; K281-I304 HydrophobicContact CG-CB 4.01Å; K281-I304 HydrophobicContact CG-CG2 4.07Å; L282-I304 PolarHBondContact N-O 2.65Å; I304-K306 HydrophobicContact CG2-CG 4.47Å; I304-S353 WeakPolarHBondContact CA-O 3.47Å
305	A	94.2	Very high	87.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	111.7	173.3	0	0	0	0	0	109.3	L282 L302 L307 F316 V352 S353 C354 S355	L282-A305 CarbonylContact O-C 3.39Å; L282-A305 WeakPolarHBondContact O-CA 3.36Å; L302-A305 HydrophobicContact CD2-CB 4.16Å; A305-L307 HydrophobicContact CB-CD1 4.33Å; A305-L307 HydrophobicContact CB-CD2 4.48Å; A305-L307 HydrophobicContact CB-CG 4.22Å; A305-F316 HydrophobicContact CB-CE2 4.34Å; A305-V352 HydrophobicContact CB-CG1 4.06Å; A305-S353 PolarHBondContact N-O 3.18Å; A305-C354 HydrophobicContact CB-CB 4.29Å; A305-C354 CarbonylContact O-C 3.45Å; A305-C354 VanDerWaalsContact O-CA 3.22Å; A305-C354 WeakPolarHBondContact O-CA 3.3Å; A305-S355 PolarHBondContact O-N 3.43Å
306	K	95.8	Very high	87.5	Confident	78 Å²	78	39.7 Å²	39.7	34%	0.339	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115	167.6	-59.5	-161.7	178.2	-174.5	0	108.2	L282 L283 A284 E285 I304 S355	L282-K306 PolarHBondContact O-N 3.26Å; L283-K306 CarbonylContact C-O 3.36Å; L283-K306 WeakPolarHBondContact CA-O 3.13Å; L283-K306 HydrophobicContact CD2-CB 3.64Å; L283-K306 HydrophobicContact CD2-CD 3.74Å; L283-K306 HydrophobicContact CD2-CG 3.58Å; A284-K306 PolarHBondContact N-O 3.29Å; E285-K306 HydrophobicContact CG-CB 3.72Å; E285-K306 WeakPolarHBondContact OE2-CD 3.39Å; I304-K306 HydrophobicContact CG2-CG 4.47Å; K306-S355 CarbonylContact C-O 2.95Å; K306-S355 WeakPolarHBondContact CA-O 3.49Å
307	L	94.9	Very high	87.4	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	22%	0.223	C	C	.	.			trans	-123	169.7	-169.6	-55.9	178.7	0	0	0	109.9	L282 A284 L293 A305 H312 F316 S355 P356	L282-L307 HydrophobicContact CD2-CD2 4.07Å; L282-L307 HydrophobicContact CG-CD2 4.37Å; A284-L307 HydrophobicContact CB-CD2 4.12Å; A284-L307 CarbonylContact O-C 3.3Å; L293-L307 HydrophobicContact CD1-CD1 4.01Å; A305-L307 HydrophobicContact CB-CD1 4.33Å; A305-L307 HydrophobicContact CB-CD2 4.48Å; A305-L307 HydrophobicContact CB-CG 4.22Å; L307-H312 HydrophobicContact CB-CB 4.49Å; L307-H312 HydrophobicContact CD1-CB 3.45Å; L307-H312 VanDerWaalsContact CD1-CB 3.45Å; L307-F316 HydrophobicContact CD1-CE2 4.13Å; L307-S355 PolarHBondContact N-O 3.41Å; L307-P356 WeakPolarHBondContact O-CD 2.99Å
308	T	94	Very high	86.6	Confident	29 Å²	29	45 Å²	45	18%	0.178	22%	0.221	C	C	.	.	S	Bend	trans	-81.9	-38.6	177.5	-61.7	0	0	0	0	111.9	A284 S286 A287 Y288	A284-T308 PolarHBondContact O-N 2.91Å; A284-T308 VanDerWaalsContact O-N 3.08Å; A284-T308 PolarHBondContact O-OG1 3.16Å; S286-T308 PolarHBondContact N-OG1 2.93Å; A287-T308 PolarHBondContact N-OG1 3.44Å; Y288-T308 HydrophobicContact CD1-CG2 3.54Å; Y288-T308 HydrophobicContact CE1-CG2 3.65Å; Y288-T308 HydrophobicContact CG-CG2 4.3Å
309	Y	89.6	Confident	85.8	Confident	38 Å²	38	41.6 Å²	41.6	15%	0.149	21%	0.211	C	C	.	.			trans	-108	132.1	-173.2	-59.4	-64.9	0	0	0	111	Y288 L290 S311 H312 I442	Y288-Y309 WeakPolarHBondContact CA-OH 3.08Å; Y288-Y309 PolarHBondContact O-OH 3.16Å; L290-Y309 WeakPolarHBondContact O-CE2 3.22Å; Y309-S311 VanDerWaalsContact C-N 3.27Å; Y309-S311 PolarHBondContact O-N 2.91Å; Y309-H312 AromaticContact CD2-CE1 3.76Å; Y309-H312 WeakPolarHBondContact O-CB 3.43Å; Y309-H312 PolarHBondContact O-N 3.02Å; Y309-I442 HydrophobicContact CD1-CD1 3.38Å; Y309-I442 HydrophobicContact CD1-CG1 3.83Å; Y309-I442 HydrophobicContact CD1-CG2 4.49Å; Y309-I442 HydrophobicContact CD2-CD1 4.42Å; Y309-I442 HydrophobicContact CD2-CG1 3.97Å; Y309-I442 HydrophobicContact CE1-CD1 3.89Å; Y309-I442 HydrophobicContact CE1-CG1 4.16Å; Y309-I442 HydrophobicContact CE1-CG2 3.96Å; Y309-I442 HydrophobicContact CE2-CG1 4.29Å; Y309-I442 HydrophobicContact CE2-CG2 4.22Å; Y309-I442 HydrophobicContact CG-CD1 3.68Å; Y309-I442 HydrophobicContact CG-CG1 3.72Å
310	S	87.1	Confident	84.4	Confident	24 Å²	24	49.1 Å²	49.1	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-30.5	177.6	58.4	0	0	0	0	112.5	H312 C313 P356	S310-H312 PolarHBondContact O-N 3.26Å; S310-C313 WeakPolarHBondContact O-CB 3.44Å; S310-C313 PolarHBondContact O-N 3.38Å; S310-C313 VanDerWaalsContact O-N 3.09Å; S310-P356 WeakPolarHBondContact CA-O 3.02Å
311	S	86.6	Confident	83.3	Confident	12 Å²	12	47.1 Å²	47.1	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-35.4	175.3	60.6	0	0	0	0	112.4	Y309 C313 C314 Y438	Y309-S311 VanDerWaalsContact C-N 3.27Å; Y309-S311 PolarHBondContact O-N 2.91Å; S311-C313 PolarHBondContact O-N 3.4Å; S311-C314 WeakPolarHBondContact O-CB 3.48Å; S311-C314 PolarHBondContact O-N 3.19Å; S311-Y438 WeakPolarHBondContact O-CB 3.45Å; S311-Y438 PolarHBondContact OG-O 2.74Å
312	H	89.5	Confident	81.5	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-29.8	177.8	-72	178.6	0	0	0	113.2	L290 K291 L293 L307 Y309 S310 C314 A315	L290-H312 PolarHBondContact O-CE1 3.46Å; K291-H312 PolarHBondContact O-NE2 2.99Å; L293-H312 HydrophobicContact CD1-CB 3.64Å; L293-H312 HydrophobicContact CG-CB 4.21Å; L307-H312 HydrophobicContact CB-CB 4.49Å; L307-H312 HydrophobicContact CD1-CB 3.45Å; L307-H312 VanDerWaalsContact CD1-CB 3.45Å; Y309-H312 AromaticContact CD2-CE1 3.76Å; Y309-H312 WeakPolarHBondContact O-CB 3.43Å; Y309-H312 PolarHBondContact O-N 3.02Å; S310-H312 PolarHBondContact O-N 3.26Å; H312-C314 PolarHBondContact O-N 3.03Å; H312-A315 WeakPolarHBondContact O-CB 3.45Å; H312-A315 PolarHBondContact O-N 3.38Å
313	C	89.1	Confident	79.8	Confident	8 Å²	8	54.8 Å²	54.8	5%	0.054	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-21.4	176.4	-69.9	0	0	0	0	113.2	S310 S311 A315 F316 C354 S355 P356	S310-C313 WeakPolarHBondContact O-CB 3.44Å; S310-C313 PolarHBondContact O-N 3.38Å; S310-C313 VanDerWaalsContact O-N 3.09Å; S311-C313 PolarHBondContact O-N 3.4Å; C313-A315 PolarHBondContact O-N 3.45Å; C313-F316 PolarHBondContact O-N 3.42Å; C313-F316 VanDerWaalsContact O-N 3.17Å; C313-C354 WeakPolarHBondContact CA-SG 3.27Å; C313-C354 HydrophobicContact CB-CB 3.59Å; C313-C354 WeakPolarHBondContact CB-SG 3.38Å; C313-C354 WeakPolarHBondContact SG-CB 3.47Å; C313-C354 CovalentContact SG-SG 2.04Å; C313-C354 PolarHBondContact SG-SG 2.87Å; C313-S355 PolarHBondContact SG-N 3.45Å; C313-S355 VanDerWaalsContact SG-N 3.44Å; C313-P356 PolarHBondContact SG-O 3.5Å
314	C	85.6	Confident	77.7	Confident	20 Å²	20	58.1 Å²	58.1	14%	0.135	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-28.9	174.2	-62.2	0	0	0	0	113	S311 H312 F316 K317 C364	S311-C314 WeakPolarHBondContact O-CB 3.48Å; S311-C314 PolarHBondContact O-N 3.19Å; H312-C314 PolarHBondContact O-N 3.03Å; C314-F316 PolarHBondContact O-N 2.96Å; C314-K317 PolarHBondContact O-N 3.47Å; C314-C364 WeakPolarHBondContact CA-SG 3.25Å; C314-C364 HydrophobicContact CB-CB 3.47Å; C314-C364 VanDerWaalsContact CB-CB 3.47Å; C314-C364 WeakPolarHBondContact CB-SG 3.48Å; C314-C364 WeakPolarHBondContact SG-CA 3.29Å; C314-C364 WeakPolarHBondContact SG-CB 3.47Å; C314-C364 CovalentContact SG-SG 2.04Å; C314-C364 PolarHBondContact SG-SG 2.88Å
315	A	83.9	Confident	75.7	Confident	15 Å²	15	65.3 Å²	65.3	12%	0.124	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-29.9	176.8	0	0	0	0	0	112.1	V296 H312 C313 Y438	V296-A315 WeakPolarHBondContact CG1-O 3.45Å; V296-A315 HydrophobicContact CG2-CB 3.53Å; H312-A315 WeakPolarHBondContact O-CB 3.45Å; H312-A315 PolarHBondContact O-N 3.38Å; C313-A315 PolarHBondContact O-N 3.45Å; A315-Y438 HydrophobicContact CB-CD2 3.79Å; A315-Y438 HydrophobicContact CB-CE2 3.45Å; A315-Y438 VanDerWaalsContact CB-CE2 3.45Å
316	F	83.9	Confident	73.9	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-100.1	-7.2	-175	-54.5	-72.3	0	0	0	114.7	L293 V296 Y299 L302 A305 L307 C313 C314 N318 M319 V352 C354	L293-F316 HydrophobicContact CD1-CE2 3.99Å; L293-F316 HydrophobicContact CD1-CZ 4.16Å; V296-F316 HydrophobicContact CG1-CD1 4.01Å; V296-F316 HydrophobicContact CG1-CE1 4.19Å; Y299-F316 HydrophobicContact CD2-CE1 4.12Å; Y299-F316 HydrophobicContact CD2-CZ 4.49Å; Y299-F316 HydrophobicContact CG-CE1 4.14Å; L302-F316 HydrophobicContact CD2-CD1 4.41Å; L302-F316 HydrophobicContact CD2-CE1 3.71Å; L302-F316 HydrophobicContact CD2-CZ 3.84Å; A305-F316 HydrophobicContact CB-CE2 4.34Å; L307-F316 HydrophobicContact CD1-CE2 4.13Å; C313-F316 PolarHBondContact O-N 3.42Å; C313-F316 VanDerWaalsContact O-N 3.17Å; C314-F316 PolarHBondContact O-N 2.96Å; F316-N318 PolarHBondContact O-N 2.98Å; F316-M319 HydrophobicContact CD1-SD 4.3Å; F316-M319 PolarHBondContact O-N 3.19Å; F316-V352 HydrophobicContact CB-CB 3.81Å; F316-V352 HydrophobicContact CB-CG1 4.38Å; F316-V352 HydrophobicContact CB-CG2 4.05Å; F316-V352 HydrophobicContact CD1-CB 4.37Å; F316-V352 HydrophobicContact CD1-CG1 4.43Å; F316-V352 HydrophobicContact CD1-CG2 3.99Å; F316-V352 HydrophobicContact CG-CB 4.14Å; F316-V352 HydrophobicContact CG-CG1 4.23Å; F316-V352 HydrophobicContact CG-CG2 4.24Å; F316-C354 HydrophobicContact CD2-CB 4.47Å
317	K	76.7	Confident	72.3	Confident	153 Å²	153	72.9 Å²	72.9	67%	0.665	35%	0.35	S	S	*	.	H	α-helix	trans	-65	-39	-173.1	-169.2	176.6	179.5	-178.2	0	113	C314 C364	C314-K317 PolarHBondContact O-N 3.47Å; K317-C364 HydrophobicContact CD-CB 4.22Å
318	N	64	Low	71	Confident	127 Å²	127	77.7 Å²	77.7	68%	0.679	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	22.6	-178.1	-63.3	-18.3	0	0	0	112.5	F316 H320	F316-N318 PolarHBondContact O-N 2.98Å; N318-H320 PolarHBondContact O-CD2 3.41Å; N318-H320 PolarHBondContact O-N 3.43Å
319	M	66.8	Low	69.6	Low	34 Å²	34	81.5 Å²	81.5	17%	0.167	40%	0.4	C	S	.	.			trans	-73.6	94.1	-178.8	-169.8	174.1	74.6	0	0	110.3	V296 F316 R321 V352	V296-M319 HydrophobicContact CG1-CB 4.38Å; V296-M319 HydrophobicContact CG1-CG 4Å; V296-M319 HydrophobicContact CG1-SD 3.4Å; V296-M319 WeakPolarHBondContact CG1-SD 3.35Å; F316-M319 HydrophobicContact CD1-SD 4.3Å; F316-M319 PolarHBondContact O-N 3.19Å; M319-R321 PolarHBondContact O-N 2.93Å; M319-V352 HydrophobicContact CE-CG2 3.41Å; M319-V352 VanDerWaalsContact CE-CG2 3.41Å
320	H	56.4	Low	68.5	Low	158 Å²	158	80.4 Å²	80.4	73%	0.731	40%	0.398	S	S	*	.			trans	-78.1	110.5	169.8	-63.1	-67	0	0	0	109.1	N318 N322	N318-H320 PolarHBondContact O-CD2 3.41Å; N318-H320 PolarHBondContact O-N 3.43Å; H320-N322 PolarHBondContact O-N 2.92Å; H320-N322 VanDerWaalsContact O-N 3.14Å
321	R	59	Low	67.5	Low	38 Å²	38	85.9 Å²	85.9	14%	0.143	43%	0.426	C	S	.	.			trans	-72.1	108.9	173.2	-75.4	-158	173.1	142.1	-6.7	108.8	T300 L302 M319 R323 T350	T300-R321 PolarHBondContact O-NE 2.87Å; T300-R321 PolarHBondContact O-NH2 3.41Å; L302-R321 PolarHBondContact O-NH2 3.36Å; M319-R321 PolarHBondContact O-N 2.93Å; R321-R323 VanDerWaalsContact C-N 3.27Å; R321-R323 PolarHBondContact O-N 3.29Å; R321-T350 WeakPolarHBondContact CD-OG1 3.39Å; R321-T350 WeakPolarHBondContact CG-OG1 3.32Å; R321-T350 VanDerWaalsContact CZ-OG1 3.24Å; R321-T350 PolarHBondContact NE-OG1 3.42Å; R321-T350 PolarHBondContact NH1-OG1 3.34Å
322	N	47.1	Very low	67	Low	169 Å²	169	90 Å²	90	90%	0.904	44%	0.443	S	S	*	.			trans	-74.3	83.8	170.2	-133.5	1	0	0	0	108.4	H320 S324	H320-N322 PolarHBondContact O-N 2.92Å; H320-N322 VanDerWaalsContact O-N 3.14Å; N322-S324 PolarHBondContact O-N 3Å
323	R	53.1	Low	66	Low	107 Å²	107	94.6 Å²	94.6	40%	0.404	47%	0.473	S	S	.	.			trans	-79.1	109.2	174.7	-108.5	-171.6	178.6	167.5	5.2	108.8	R321 R325 E344 H345	R321-R323 VanDerWaalsContact C-N 3.27Å; R321-R323 PolarHBondContact O-N 3.29Å; R323-R325 PolarHBondContact O-N 3.07Å; R323-R325 VanDerWaalsContact O-N 3.14Å; R323-E344 PolarHBondContact NH1-O 3.12Å; R323-E344 PolarHBondContact NH2-O 2.89Å; R323-H345 PolarHBondContact NH1-O 3.5Å; R323-H345 VanDerWaalsContact NH1-O 3.17Å
324	S	44.9	Very low	65.1	Low	128 Å²	128	100.3 Å²	100.3	90%	0.895	50%	0.499	S	S	*	.	S	Bend	trans	-76.8	19.7	175.1	41.5	0	0	0	0	114.5	N322	N322-S324 PolarHBondContact O-N 3Å
325	R	48.8	Very low	63.8	Low	219 Å²	219	99.6 Å²	99.6	83%	0.826	50%	0.495	S	S	*	.			trans	-147.9	92.1	174.8	-126	177	-179.5	-178.7	0.1	110.2	R323 I327	R323-R325 PolarHBondContact O-N 3.07Å; R323-R325 VanDerWaalsContact O-N 3.14Å; R325-I327 PolarHBondContact O-N 3.31Å
326	W	54.6	Low	62.8	Low	178 Å²	178	106.2 Å²	106.2	67%	0.674	52%	0.521	S	S	*	.			trans	-62	123.5	166.1	-80.4	86	0	0	0	108.7	N348	W326-N348 WeakPolarHBondContact CH2-ND2 3.22Å; W326-N348 WeakPolarHBondContact CZ2-ND2 3.29Å
327	I	63.2	Low	62.3	Low	59 Å²	59	110.8 Å²	110.8	30%	0.303	55%	0.55	S	S	.	.			trans	-86.8	123.1	178.3	-56.7	170.6	0	0	0	107.5	R325 L329 C330 H345	R325-I327 PolarHBondContact O-N 3.31Å; I327-L329 HydrophobicContact CG2-CB 4.07Å; I327-L329 PolarHBondContact O-N 3.28Å; I327-L329 VanDerWaalsContact O-N 3.12Å; I327-C330 WeakPolarHBondContact O-CB 3.11Å; I327-C330 PolarHBondContact O-N 3.17Å; I327-H345 HydrophobicContact CD1-CB 4.11Å
328	P	66.9	Low	62.1	Low	106 Å²	106	108 Å²	108	69%	0.688	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.5	-178.3	-25.8	33.6	0	0	0	114.1	C330 N331	P328-C330 PolarHBondContact O-N 3.33Å; P328-C330 VanDerWaalsContact O-N 3.14Å; P328-N331 PolarHBondContact O-N 3.49Å
329	L	65.8	Low	62.2	Low	109 Å²	109	106.2 Å²	106.2	57%	0.571	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-60.2	-20.3	175.7	-92.2	86.4	0	0	0	113.8	I327 N331 H332 A335 F341	I327-L329 HydrophobicContact CG2-CB 4.07Å; I327-L329 PolarHBondContact O-N 3.28Å; I327-L329 VanDerWaalsContact O-N 3.12Å; L329-N331 PolarHBondContact O-N 2.74Å; L329-H332 WeakPolarHBondContact O-CB 3.46Å; L329-H332 PolarHBondContact O-N 2.9Å; L329-A335 WeakPolarHBondContact O-CB 3.21Å; L329-F341 HydrophobicContact CB-CZ 4.38Å; L329-F341 HydrophobicContact CD2-CZ 4.19Å
330	C	64.8	Low	61.9	Low	16 Å²	16	108 Å²	108	11%	0.108	56%	0.556	C	S	.	*	G	3₁₀ helix	trans	-69.8	-14	178.9	-64.3	0	0	0	0	113.9	I327 P328 C346	I327-C330 WeakPolarHBondContact O-CB 3.11Å; I327-C330 PolarHBondContact O-N 3.17Å; P328-C330 PolarHBondContact O-N 3.33Å; P328-C330 VanDerWaalsContact O-N 3.14Å; C330-C346 WeakPolarHBondContact CA-SG 3.48Å; C330-C346 HydrophobicContact CB-CB 3.57Å; C330-C346 WeakPolarHBondContact CB-SG 3.38Å; C330-C346 WeakPolarHBondContact SG-CA 3.45Å; C330-C346 WeakPolarHBondContact SG-CB 3.28Å; C330-C346 CovalentContact SG-SG 2.04Å; C330-C346 PolarHBondContact SG-SG 3.33Å
331	N	67.5	Low	62.4	Low	139 Å²	139	103.1 Å²	103.1	74%	0.743	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-86	-8.6	172	-67.3	-14.4	0	0	0	112.7	P328 L329	P328-N331 PolarHBondContact O-N 3.49Å; L329-N331 PolarHBondContact O-N 2.74Å
332	H	75	Confident	62.6	Low	98 Å²	98	104.5 Å²	104.5	45%	0.454	54%	0.54	S	S	.	.	S	Bend	trans	-78.1	135.7	-179.5	-157.5	-95.4	0	0	0	111	L329 E334 A335	L329-H332 WeakPolarHBondContact O-CB 3.46Å; L329-H332 PolarHBondContact O-N 2.9Å; H332-E334 IonicContact CE1-OE2 3.49Å; H332-E334 PolarHBondContact CE1-OE2 3.12Å; H332-E334 PolarHBondContact ND1-N 3.24Å; H332-E334 IonicContact ND1-OE2 3.68Å; H332-E334 PolarHBondContact O-N 3.13Å; H332-A335 WeakPolarHBondContact O-CB 3.38Å; H332-A335 PolarHBondContact O-N 2.96Å
333	P	69.9	Low	63.3	Low	98 Å²	98	104.9 Å²	104.9	64%	0.636	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-59.6	-31.1	-178.6	18.7	-29.5	0	0	0	113.7	A335 K336	P333-A335 VanDerWaalsContact C-N 3.31Å; P333-A335 PolarHBondContact O-N 3.22Å; P333-K336 PolarHBondContact O-N 3.01Å
334	E	69.9	Low	63.6	Low	128 Å²	128	103.6 Å²	103.6	60%	0.598	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-72.8	-17.5	175.8	-62.8	177.2	163.4	0	0	114	H332 K336 T337	H332-E334 IonicContact CE1-OE2 3.49Å; H332-E334 PolarHBondContact CE1-OE2 3.12Å; H332-E334 PolarHBondContact ND1-N 3.24Å; H332-E334 IonicContact ND1-OE2 3.68Å; H332-E334 PolarHBondContact O-N 3.13Å; E334-K336 PolarHBondContact O-N 3.44Å; E334-T337 WeakPolarHBondContact CA-OG1 3.4Å; E334-T337 PolarHBondContact O-N 3.33Å; E334-T337 PolarHBondContact O-OG1 2.86Å
335	A	58.4	Low	64.4	Low	6 Å²	6	100.6 Å²	100.6	5%	0.05	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-65.7	-28.5	175	0	0	0	0	0	111.2	L329 H332 P333 F341 F342	L329-A335 WeakPolarHBondContact O-CB 3.21Å; H332-A335 WeakPolarHBondContact O-CB 3.38Å; H332-A335 PolarHBondContact O-N 2.96Å; P333-A335 VanDerWaalsContact C-N 3.31Å; P333-A335 PolarHBondContact O-N 3.22Å; A335-F341 HydrophobicContact CB-CD1 4.12Å; A335-F341 HydrophobicContact CB-CE1 3.88Å; A335-F342 VanDerWaalsContact O-CB 3.28Å; A335-F342 WeakPolarHBondContact O-CB 3.4Å; A335-F342 WeakPolarHBondContact O-CD2 3.28Å
336	K	63.3	Low	65	Low	153 Å²	153	90.9 Å²	90.9	67%	0.665	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.4	177.1	-68.3	-179.7	-178.7	176.4	0	113.4	P333 E334 I338 F342	P333-K336 PolarHBondContact O-N 3.01Å; E334-K336 PolarHBondContact O-N 3.44Å; K336-I338 VanDerWaalsContact C-N 3.34Å; K336-F342 HydrophobicContact CG-CD2 3.97Å; K336-F342 HydrophobicContact CG-CE2 3.7Å; K336-F342 HydrophobicContact CG-CZ 4.29Å
337	T	72.7	Confident	65.1	Low	104 Å²	104	83.9 Å²	83.9	64%	0.638	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.9	-178.4	55.8	0	0	0	0	113.1	E334 P339	E334-T337 WeakPolarHBondContact CA-OG1 3.4Å; E334-T337 PolarHBondContact O-N 3.33Å; E334-T337 PolarHBondContact O-OG1 2.86Å; T337-P339 WeakPolarHBondContact O-CD 3.06Å
338	I	73.2	Confident	64.7	Low	94 Å²	94	85.4 Å²	85.4	48%	0.482	45%	0.452	S	S	.	.			trans	-108.8	93	173.6	-53.4	173.9	0	0	0	108.6	K336 A340 F341 F342	K336-I338 VanDerWaalsContact C-N 3.34Å; I338-A340 PolarHBondContact O-N 3.36Å; I338-A340 VanDerWaalsContact O-N 3.15Å; I338-F341 HydrophobicContact CB-CB 3.85Å; I338-F341 HydrophobicContact CG2-CB 3.57Å; I338-F341 PolarHBondContact O-N 3.12Å; I338-F341 VanDerWaalsContact O-N 3.1Å; I338-F342 PolarHBondContact O-N 3.43Å
339	P	64.4	Low	64	Low	90 Å²	90	83.9 Å²	83.9	58%	0.584	44%	0.443	S	S	*	.	H	α-helix	trans	-60.2	-32.7	-171.5	-24.5	34.2	0	0	0	113.7	T337 R343	T337-P339 WeakPolarHBondContact O-CD 3.06Å; P339-R343 WeakPolarHBondContact O-CB 3.36Å; P339-R343 PolarHBondContact O-N 3.37Å
340	A	60.4	Low	63.6	Low	70 Å²	70	79.1 Å²	79.1	58%	0.579	42%	0.419	S	S	*	.	H	α-helix	trans	-68.3	-47.7	176.5	0	0	0	0	0	111.5	I338 R343 E344	I338-A340 PolarHBondContact O-N 3.36Å; I338-A340 VanDerWaalsContact O-N 3.15Å; A340-R343 PolarHBondContact O-N 3.06Å; A340-E344 WeakPolarHBondContact O-CB 3.39Å; A340-E344 PolarHBondContact O-N 2.71Å
341	F	66.7	Low	63.8	Low	56 Å²	56	83 Å²	83	25%	0.246	45%	0.446	C	S	.	.	H	α-helix	trans	-62.7	-49	177	178.7	-96.3	0	0	0	111.1	L329 A335 I338 R343 E344 H345	L329-F341 HydrophobicContact CB-CZ 4.38Å; L329-F341 HydrophobicContact CD2-CZ 4.19Å; A335-F341 HydrophobicContact CB-CD1 4.12Å; A335-F341 HydrophobicContact CB-CE1 3.88Å; I338-F341 HydrophobicContact CB-CB 3.85Å; I338-F341 HydrophobicContact CG2-CB 3.57Å; I338-F341 PolarHBondContact O-N 3.12Å; I338-F341 VanDerWaalsContact O-N 3.1Å; F341-R343 VanDerWaalsContact C-N 3.34Å; F341-R343 PolarHBondContact O-N 3Å; F341-E344 PolarHBondContact O-N 3.37Å; F341-H345 HydrophobicContact CD2-CB 4.33Å; F341-H345 AromaticContact CD2-CG 3.97Å; F341-H345 AromaticContact CD2-ND1 3.61Å; F341-H345 HydrophobicContact CE1-CB 4.43Å; F341-H345 HydrophobicContact CE2-CB 4.09Å; F341-H345 AromaticContact CE2-CG 3.86Å; F341-H345 AromaticContact CE2-ND1 3.95Å; F341-H345 HydrophobicContact CZ-CB 4.15Å; F341-H345 WeakPolarHBondContact O-CA 3.43Å; F341-H345 VanDerWaalsContact O-CB 3.27Å; F341-H345 WeakPolarHBondContact O-CB 3.49Å; F341-H345 PolarHBondContact O-N 3.19Å; F341-H345 PolarHBondContact O-ND1 2.94Å
342	F	65.1	Low	64.6	Low	68 Å²	68	77 Å²	77	30%	0.298	42%	0.415	S	S	.	.	I	π-helix	trans	-58.4	-46	178.4	-164	-102.9	0	0	0	112	A335 K336 I338 E344 C346 S347	A335-F342 VanDerWaalsContact O-CB 3.28Å; A335-F342 WeakPolarHBondContact O-CB 3.4Å; A335-F342 WeakPolarHBondContact O-CD2 3.28Å; K336-F342 HydrophobicContact CG-CD2 3.97Å; K336-F342 HydrophobicContact CG-CE2 3.7Å; K336-F342 HydrophobicContact CG-CZ 4.29Å; I338-F342 PolarHBondContact O-N 3.43Å; F342-E344 PolarHBondContact O-N 3.36Å; F342-C346 HydrophobicContact CD2-CB 3.58Å; F342-C346 HydrophobicContact CE2-CB 3.71Å; F342-C346 HydrophobicContact CG-CB 4.13Å; F342-C346 HydrophobicContact CZ-CB 4.35Å; F342-C346 CarbonylContact O-C 3.42Å; F342-C346 VanDerWaalsContact O-CA 3.32Å; F342-C346 WeakPolarHBondContact O-CA 3.37Å; F342-C346 WeakPolarHBondContact O-CB 2.83Å; F342-C346 PolarHBondContact O-N 2.85Å; F342-S347 PolarHBondContact O-N 3.05Å
343	R	61.6	Low	65.2	Low	177 Å²	177	76.3 Å²	76.3	67%	0.668	42%	0.421	S	S	*	.	I	π-helix	trans	-66.5	-36.5	-179.8	-169.9	-174.7	-59.9	-148	1.1	112.3	P339 A340 F341	P339-R343 WeakPolarHBondContact O-CB 3.36Å; P339-R343 PolarHBondContact O-N 3.37Å; A340-R343 PolarHBondContact O-N 3.06Å; F341-R343 VanDerWaalsContact C-N 3.34Å; F341-R343 PolarHBondContact O-N 3Å
344	E	59.3	Low	66.2	Low	80 Å²	80	72.6 Å²	72.6	37%	0.374	40%	0.397	S	S	.	.	I	π-helix	trans	-85.3	-31.7	-176.7	-170.8	174.1	-161.6	0	0	113.2	R323 A340 F341 F342	R323-E344 PolarHBondContact NH1-O 3.12Å; R323-E344 PolarHBondContact NH2-O 2.89Å; A340-E344 WeakPolarHBondContact O-CB 3.39Å; A340-E344 PolarHBondContact O-N 2.71Å; F341-E344 PolarHBondContact O-N 3.37Å; F342-E344 PolarHBondContact O-N 3.36Å
345	H	61.3	Low	67.1	Low	65 Å²	65	68.6 Å²	68.6	30%	0.301	38%	0.383	S	S	.	.	I	π-helix	trans	-113.7	-27.2	-170.1	-61.6	82.9	0	0	0	113.9	R323 I327 F341	R323-H345 PolarHBondContact NH1-O 3.5Å; R323-H345 VanDerWaalsContact NH1-O 3.17Å; I327-H345 HydrophobicContact CD1-CB 4.11Å; F341-H345 HydrophobicContact CD2-CB 4.33Å; F341-H345 AromaticContact CD2-CG 3.97Å; F341-H345 AromaticContact CD2-ND1 3.61Å; F341-H345 HydrophobicContact CE1-CB 4.43Å; F341-H345 HydrophobicContact CE2-CB 4.09Å; F341-H345 AromaticContact CE2-CG 3.86Å; F341-H345 AromaticContact CE2-ND1 3.95Å; F341-H345 HydrophobicContact CZ-CB 4.15Å; F341-H345 WeakPolarHBondContact O-CA 3.43Å; F341-H345 VanDerWaalsContact O-CB 3.27Å; F341-H345 WeakPolarHBondContact O-CB 3.49Å; F341-H345 PolarHBondContact O-N 3.19Å; F341-H345 PolarHBondContact O-ND1 2.94Å
346	C	60.4	Low	68.6	Low	15 Å²	15	71 Å²	71	10%	0.101	40%	0.398	C	S	.	.	I	π-helix	trans	-123.6	-16.7	-167.2	-59.2	0	0	0	0	116.2	C330 F342	C330-C346 WeakPolarHBondContact CA-SG 3.48Å; C330-C346 HydrophobicContact CB-CB 3.57Å; C330-C346 WeakPolarHBondContact CB-SG 3.38Å; C330-C346 WeakPolarHBondContact SG-CA 3.45Å; C330-C346 WeakPolarHBondContact SG-CB 3.28Å; C330-C346 CovalentContact SG-SG 2.04Å; C330-C346 PolarHBondContact SG-SG 3.33Å; F342-C346 HydrophobicContact CD2-CB 3.58Å; F342-C346 HydrophobicContact CE2-CB 3.71Å; F342-C346 HydrophobicContact CG-CB 4.13Å; F342-C346 HydrophobicContact CZ-CB 4.35Å; F342-C346 CarbonylContact O-C 3.42Å; F342-C346 VanDerWaalsContact O-CA 3.32Å; F342-C346 WeakPolarHBondContact O-CA 3.37Å; F342-C346 WeakPolarHBondContact O-CB 2.83Å; F342-C346 PolarHBondContact O-N 2.85Å
347	S	57.9	Low	69.4	Low	31 Å²	31	68.8 Å²	68.8	22%	0.217	40%	0.398	C	S	.	.			trans	-79	123.2	175.1	-176.3	0	0	0	0	111.6	F342 S349	F342-S347 PolarHBondContact O-N 3.05Å; S347-S349 PolarHBondContact O-N 3.46Å; S347-S349 PolarHBondContact OG-N 3.42Å; S347-S349 PolarHBondContact OG-O 3.47Å; S347-S349 PolarHBondContact OG-OG 3.13Å
348	N	53.9	Low	69.6	Low	91 Å²	91	66.1 Å²	66.1	49%	0.487	38%	0.382	S	S	.	.	S	Bend	trans	-66.7	-13.3	170.1	-81.2	-15.2	0	0	0	113.2	W326	W326-N348 WeakPolarHBondContact CH2-ND2 3.22Å; W326-N348 WeakPolarHBondContact CZ2-ND2 3.29Å
349	S	52.1	Low	69.5	Low	73 Å²	73	64.9 Å²	64.9	51%	0.51	38%	0.376	S	S	.	.			trans	-115.6	93.4	173.1	62.4	0	0	0	0	109.2	S347 S351	S347-S349 PolarHBondContact O-N 3.46Å; S347-S349 PolarHBondContact OG-N 3.42Å; S347-S349 PolarHBondContact OG-O 3.47Å; S347-S349 PolarHBondContact OG-OG 3.13Å; S349-S351 PolarHBondContact O-N 3.5Å
350	T	58.9	Low	69.3	Low	10 Å²	10	64 Å²	64	6%	0.061	37%	0.372	C	S	.	.			trans	-87.5	93.7	160.2	54.6	0	0	0	0	106.6	R321 V352	R321-T350 WeakPolarHBondContact CD-OG1 3.39Å; R321-T350 WeakPolarHBondContact CG-OG1 3.32Å; R321-T350 VanDerWaalsContact CZ-OG1 3.24Å; R321-T350 PolarHBondContact NE-OG1 3.42Å; R321-T350 PolarHBondContact NH1-OG1 3.34Å; T350-V352 PolarHBondContact O-N 3.17Å
351	S	68.6	Low	69.3	Low	97 Å²	97	63.3 Å²	63.3	68%	0.678	36%	0.356	S	S	*	.			trans	-63.7	132.1	171.1	51.6	0	0	0	0	109.3	S349	S349-S351 PolarHBondContact O-N 3.5Å
352	V	84	Confident	69.3	Low	14 Å²	14	62 Å²	62	9%	0.085	35%	0.352	C	S	.	.			trans	-76.6	123.4	169.3	-177.2	0	0	0	0	106.7	L302 A305 F316 M319 T350 C354	L302-V352 HydrophobicContact CD2-CG1 4.1Å; L302-V352 HydrophobicContact CG-CG1 4.25Å; A305-V352 HydrophobicContact CB-CG1 4.06Å; F316-V352 HydrophobicContact CB-CB 3.81Å; F316-V352 HydrophobicContact CB-CG1 4.38Å; F316-V352 HydrophobicContact CB-CG2 4.05Å; F316-V352 HydrophobicContact CD1-CB 4.37Å; F316-V352 HydrophobicContact CD1-CG1 4.43Å; F316-V352 HydrophobicContact CD1-CG2 3.99Å; F316-V352 HydrophobicContact CG-CB 4.14Å; F316-V352 HydrophobicContact CG-CG1 4.23Å; F316-V352 HydrophobicContact CG-CG2 4.24Å; M319-V352 HydrophobicContact CE-CG2 3.41Å; M319-V352 VanDerWaalsContact CE-CG2 3.41Å; T350-V352 PolarHBondContact O-N 3.17Å; V352-C354 PolarHBondContact O-N 3.28Å; V352-C354 VanDerWaalsContact O-N 3.16Å
353	S	88.1	Confident	69.7	Low	83 Å²	83	60.1 Å²	60.1	58%	0.58	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	107.2	169.3	-176.9	0	0	0	0	107.9	H303 I304 A305	H303-S353 PolarHBondContact O-N 3.13Å; I304-S353 WeakPolarHBondContact CA-O 3.47Å; A305-S353 PolarHBondContact N-O 3.18Å
354	C	90.1	Very high	70.4	Confident	20 Å²	20	53.8 Å²	53.8	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.1	-177.8	-166	0	0	0	0	111.8	A305 C313 F316 V352	A305-C354 HydrophobicContact CB-CB 4.29Å; A305-C354 CarbonylContact O-C 3.45Å; A305-C354 VanDerWaalsContact O-CA 3.22Å; A305-C354 WeakPolarHBondContact O-CA 3.3Å; C313-C354 WeakPolarHBondContact CA-SG 3.27Å; C313-C354 HydrophobicContact CB-CB 3.59Å; C313-C354 WeakPolarHBondContact CB-SG 3.38Å; C313-C354 WeakPolarHBondContact SG-CB 3.47Å; C313-C354 CovalentContact SG-SG 2.04Å; C313-C354 PolarHBondContact SG-SG 2.87Å; F316-C354 HydrophobicContact CD2-CB 4.47Å; V352-C354 PolarHBondContact O-N 3.28Å; V352-C354 VanDerWaalsContact O-N 3.16Å
355	S	88.5	Confident	71.2	Confident	44 Å²	44	53.2 Å²	53.2	31%	0.308	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.9	175.6	62.3	0	0	0	0	111	A305 K306 L307 C313	A305-S355 PolarHBondContact O-N 3.43Å; K306-S355 CarbonylContact C-O 2.95Å; K306-S355 WeakPolarHBondContact CA-O 3.49Å; L307-S355 PolarHBondContact N-O 3.41Å; C313-S355 PolarHBondContact SG-N 3.45Å; C313-S355 VanDerWaalsContact SG-N 3.44Å
356	P	89.3	Confident	72	Confident	55 Å²	55	51.2 Å²	51.2	36%	0.357	32%	0.318	S	S	.	.	S	Bend	cis	-72.8	148.4	0.4	29.1	-34.2	0	0	0	112.3	L307 S310 C313	L307-P356 WeakPolarHBondContact O-CD 2.99Å; S310-P356 WeakPolarHBondContact CA-O 3.02Å; C313-P356 PolarHBondContact SG-O 3.5Å
357	T	81.6	Confident	73	Confident	108 Å²	108	50.5 Å²	50.5	66%	0.663	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-68.3	142.1	177	49.8	0	0	0	0	110.2	D359	T357-D359 PolarHBondContact O-N 3.08Å
358	P	77.1	Confident	74	Confident	47 Å²	47	49 Å²	49	31%	0.305	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-50.3	136.1	169.8	-23.7	31.8	0	0	0	111.3	C364	P358-C364 WeakPolarHBondContact CG-SG 3.39Å
359	D	70.2	Confident	74.8	Confident	68 Å²	68	47 Å²	47	36%	0.364	30%	0.295	S	S	.	.			trans	-97	175	178.5	62.4	6.4	0	0	0	111.1	T357 F361 N362	T357-D359 PolarHBondContact O-N 3.08Å; D359-F361 PolarHBondContact O-N 3.46Å; D359-F361 PolarHBondContact OD1-N 3.27Å; D359-N362 CarbonylContact O-C 3.54Å; D359-N362 PolarHBondContact O-N 3.06Å; D359-N362 WeakPolarHBondContact OD1-CA 3.4Å; D359-N362 WeakPolarHBondContact OD1-CB 3.47Å; D359-N362 PolarHBondContact OD1-N 3.48Å
360	S	60.7	Low	76.1	Confident	71 Å²	71	46.6 Å²	46.6	50%	0.497	29%	0.291	S	S	.	.	S	Bend	trans	-63.3	-26.7	178.5	51.2	0	0	0	0	112.5	V612	S360-V612 WeakPolarHBondContact O-CB 3.49Å; S360-V612 VanDerWaalsContact O-CG2 3.29Å; S360-V612 WeakPolarHBondContact O-CG2 3.31Å
361	F	59.1	Low	77.3	Confident	57 Å²	57	50.9 Å²	50.9	25%	0.25	32%	0.317	C	S	.	.	S	Bend	trans	-81.7	-26.1	-179.3	-64	-75.7	0	0	0	113.2	D359 P363 V522 V530 V612	D359-F361 PolarHBondContact O-N 3.46Å; D359-F361 PolarHBondContact OD1-N 3.27Å; F361-P363 VanDerWaalsContact C-CD 3.47Å; F361-V522 HydrophobicContact CD1-CG2 4.07Å; F361-V530 HydrophobicContact CZ-CG2 4.45Å; F361-V612 HydrophobicContact CD1-CG2 3.94Å; F361-V612 HydrophobicContact CE1-CG2 4.17Å
362	N	67.1	Low	78	Confident	29 Å²	29	51 Å²	51	16%	0.155	31%	0.313	C	S	.	.	S	Bend	trans	-127.5	68.7	177.2	-63.3	-69.7	0	0	0	111.6	D359 Q445 K521	D359-N362 CarbonylContact O-C 3.54Å; D359-N362 PolarHBondContact O-N 3.06Å; D359-N362 WeakPolarHBondContact OD1-CA 3.4Å; D359-N362 WeakPolarHBondContact OD1-CB 3.47Å; D359-N362 PolarHBondContact OD1-N 3.48Å; N362-Q445 PolarHBondContact OD1-NE2 3.28Å; N362-K521 PolarHBondContact ND2-O 2.76Å
363	P	73.6	Confident	77.9	Confident	27 Å²	27	50.4 Å²	50.4	18%	0.175	31%	0.309	C	S	.	.			trans	-65.4	159.5	174.2	29.1	-35.1	0	0	0	111.3	F361 E365 S613	F361-P363 VanDerWaalsContact C-CD 3.47Å; P363-E365 PolarHBondContact O-N 3.05Å; P363-S613 WeakPolarHBondContact CG-OG 3.37Å
364	C	75.6	Confident	77.8	Confident	44 Å²	44	48.4 Å²	48.4	30%	0.297	29%	0.289	S	S	.	.	S	Bend	trans	-75.2	55.2	177	-62.6	0	0	0	0	113.3	C314 K317 P358	C314-C364 WeakPolarHBondContact CA-SG 3.25Å; C314-C364 HydrophobicContact CB-CB 3.47Å; C314-C364 VanDerWaalsContact CB-CB 3.47Å; C314-C364 WeakPolarHBondContact CB-SG 3.48Å; C314-C364 WeakPolarHBondContact SG-CA 3.29Å; C314-C364 WeakPolarHBondContact SG-CB 3.47Å; C314-C364 CovalentContact SG-SG 2.04Å; C314-C364 PolarHBondContact SG-SG 2.88Å; K317-C364 HydrophobicContact CD-CB 4.22Å; P358-C364 WeakPolarHBondContact CG-SG 3.39Å
365	E	76.6	Confident	77.7	Confident	69 Å²	69	52 Å²	52	32%	0.322	31%	0.306	S	S	.	.	S	Bend	trans	-133.1	158.2	-178.1	-67.5	173.9	-156.9	0	0	109.1	P363 S369 S613	P363-E365 PolarHBondContact O-N 3.05Å; E365-S369 VanDerWaalsContact OE2-CB 3.29Å; E365-S369 WeakPolarHBondContact OE2-CB 3.2Å; E365-S613 PolarHBondContact OE1-OG 3.15Å
366	D	79.3	Confident	77.6	Confident	23 Å²	23	52.5 Å²	52.5	12%	0.123	31%	0.305	C	S	.	.			trans	-64.7	171.4	169.1	-67.2	-34.6	0	0	0	110.7	M368 R374 H434 G435 Y437 K616	D366-M368 VanDerWaalsContact C-N 3.31Å; D366-M368 PolarHBondContact O-N 3.42Å; D366-R374 IonicContact OD2-NH2 2.8Å; D366-R374 PolarHBondContact OD2-NH2 2.94Å; D366-H434 IonicContact OD2-CD2 2.73Å; D366-G435 PolarHBondContact OD1-N 3.22Å; D366-G435 VanDerWaalsContact OD1-N 3.13Å; D366-G435 PolarHBondContact OD2-N 3.16Å; D366-Y437 WeakPolarHBondContact OD1-CB 3.46Å; D366-K616 PolarHBondContact O-NZ 3.28Å
367	I	80.2	Confident	77.5	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-52.7	-53.9	-179.4	-57.8	179.6	0	0	0	109.2	I426 V429 D430 Y437 I524 K616	I367-I426 HydrophobicContact CG2-CG2 3.95Å; I367-V429 HydrophobicContact CD1-CB 4.21Å; I367-V429 HydrophobicContact CD1-CG1 3.6Å; I367-D430 HydrophobicContact CB-CB 4.2Å; I367-Y437 HydrophobicContact CD1-CD2 3.83Å; I367-Y437 HydrophobicContact CD1-CE2 3.52Å; I367-Y437 HydrophobicContact CG1-CD1 4.4Å; I367-Y437 HydrophobicContact CG1-CD2 3.48Å; I367-Y437 VanDerWaalsContact CG1-CD2 3.48Å; I367-Y437 HydrophobicContact CG1-CE1 4.27Å; I367-Y437 HydrophobicContact CG1-CE2 3.32Å; I367-Y437 HydrophobicContact CG1-CG 4.04Å; I367-I524 HydrophobicContact CG2-CG1 4.27Å; I367-K616 PolarHBondContact O-NZ 2.87Å
368	M	78.6	Confident	78	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-111.6	104	170.7	-61.3	-62.2	128.9	0	0	109.4	D366 L373 R374 I377 I426 D430 I524 V620	D366-M368 VanDerWaalsContact C-N 3.31Å; D366-M368 PolarHBondContact O-N 3.42Å; M368-L373 HydrophobicContact SD-CD2 3.46Å; M368-L373 WeakPolarHBondContact SD-CD2 3.27Å; M368-L373 HydrophobicContact SD-CG 3.85Å; M368-R374 HydrophobicContact CB-CG 3.8Å; M368-R374 PolarHBondContact O-NE 3.4Å; M368-R374 PolarHBondContact O-NH2 2.98Å; M368-I377 HydrophobicContact CG-CD1 4.48Å; M368-I426 HydrophobicContact CE-CG2 4.01Å; M368-D430 PolarHBondContact N-OD1 2.82Å; M368-I524 HydrophobicContact CE-CD1 3.46Å; M368-I524 VanDerWaalsContact CE-CD1 3.46Å; M368-I524 HydrophobicContact CE-CG1 3.52Å; M368-V620 HydrophobicContact CE-CG2 3.57Å; M368-V620 HydrophobicContact SD-CB 4.32Å; M368-V620 HydrophobicContact SD-CG1 4.02Å; M368-V620 HydrophobicContact SD-CG2 3.62Å
369	S	72	Confident	78.6	Confident	47 Å²	47	51.1 Å²	51.1	33%	0.329	28%	0.28	S	S	.	.			trans	-76.2	-47.3	-175.5	-164.2	0	0	0	0	113.7	E365	E365-S369 VanDerWaalsContact OE2-CB 3.29Å; E365-S369 WeakPolarHBondContact OE2-CB 3.2Å
370	P	79.9	Confident	79.4	Confident	66 Å²	66	48.7 Å²	48.7	43%	0.429	27%	0.267	S	S	.	.	S	Bend	trans	-74.3	132.7	-178.6	-15.4	31.5	0	0	0	112.1	V372 L373 R374	P370-V372 PolarHBondContact O-N 3.42Å; P370-L373 HydrophobicContact CB-CB 4.13Å; P370-L373 HydrophobicContact CG-CB 4.31Å; P370-L373 WeakPolarHBondContact O-CB 3.49Å; P370-L373 PolarHBondContact O-N 3.38Å; P370-R374 PolarHBondContact O-N 3.39Å; P370-R374 VanDerWaalsContact O-N 3.16Å
371	V	83.7	Confident	80.8	Confident	99 Å²	99	45.3 Å²	45.3	60%	0.6	24%	0.243	S	C	*	.	H	α-helix	trans	-55.8	-39.2	175.8	180	0	0	0	0	111.5	L373 R374 I375	V371-L373 VanDerWaalsContact C-N 3.28Å; V371-L373 PolarHBondContact O-N 3.14Å; V371-R374 WeakPolarHBondContact O-CB 3.35Å; V371-R374 PolarHBondContact O-N 3.03Å; V371-I375 HydrophobicContact CG1-CD1 4.09Å; V371-I375 WeakPolarHBondContact O-CG1 3.4Å; V371-I375 PolarHBondContact O-N 3.14Å
372	V	83.4	Confident	82.3	Confident	99 Å²	99	45.5 Å²	45.5	60%	0.6	25%	0.249	S	C	*	.	H	α-helix	trans	-58.4	-42.2	176	179.1	0	0	0	0	111	P370 R374 I375 L376	P370-V372 PolarHBondContact O-N 3.42Å; V372-R374 PolarHBondContact O-N 2.71Å; V372-I375 PolarHBondContact O-N 3.19Å; V372-L376 HydrophobicContact CG1-CD1 3.79Å; V372-L376 HydrophobicContact CG1-CG 4.36Å; V372-L376 WeakPolarHBondContact O-CB 3.5Å; V372-L376 VanDerWaalsContact O-CG 3.25Å; V372-L376 WeakPolarHBondContact O-CG 3.41Å; V372-L376 PolarHBondContact O-N 3.05Å
373	L	80.3	Confident	83.4	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-37.4	-179.7	-167.3	57.2	0	0	0	111.8	M368 P370 V371 L376 I377 L617 V620	M368-L373 HydrophobicContact SD-CD2 3.46Å; M368-L373 WeakPolarHBondContact SD-CD2 3.27Å; M368-L373 HydrophobicContact SD-CG 3.85Å; P370-L373 HydrophobicContact CB-CB 4.13Å; P370-L373 HydrophobicContact CG-CB 4.31Å; P370-L373 WeakPolarHBondContact O-CB 3.49Å; P370-L373 PolarHBondContact O-N 3.38Å; V371-L373 VanDerWaalsContact C-N 3.28Å; V371-L373 PolarHBondContact O-N 3.14Å; L373-L376 PolarHBondContact O-N 3.39Å; L373-I377 WeakPolarHBondContact O-CG2 3.41Å; L373-I377 PolarHBondContact O-N 3.35Å; L373-L617 HydrophobicContact CD1-CD1 4.15Å; L373-V620 HydrophobicContact CD1-CB 3.87Å; L373-V620 HydrophobicContact CD1-CG1 3.57Å; L373-V620 HydrophobicContact CD2-CB 4.26Å; L373-V620 HydrophobicContact CD2-CG1 4.35Å; L373-V620 HydrophobicContact CD2-CG2 4.44Å; L373-V620 HydrophobicContact CG-CB 4.34Å; L373-V620 HydrophobicContact CG-CG1 3.96Å
374	R	86.8	Confident	84.2	Confident	41 Å²	41	46.1 Å²	46.1	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-41.3	174.2	-66.5	-176.4	179.9	149.7	3.6	112.5	D366 M368 P370 V371 V372 I377 W378 D430 H434	D366-R374 IonicContact OD2-NH2 2.8Å; D366-R374 PolarHBondContact OD2-NH2 2.94Å; M368-R374 HydrophobicContact CB-CG 3.8Å; M368-R374 PolarHBondContact O-NE 3.4Å; M368-R374 PolarHBondContact O-NH2 2.98Å; P370-R374 PolarHBondContact O-N 3.39Å; P370-R374 VanDerWaalsContact O-N 3.16Å; V371-R374 WeakPolarHBondContact O-CB 3.35Å; V371-R374 PolarHBondContact O-N 3.03Å; V372-R374 PolarHBondContact O-N 2.71Å; R374-I377 VanDerWaalsContact O-CG2 3.27Å; R374-I377 WeakPolarHBondContact O-CG2 3.26Å; R374-W378 VanDerWaalsContact O-CD1 3.28Å; R374-D430 VanDerWaalsContact CD-OD2 3.32Å; R374-D430 WeakPolarHBondContact CD-OD2 3.42Å; R374-D430 WeakPolarHBondContact CG-OD2 3.29Å; R374-D430 IonicContact CZ-OD2 3.38Å; R374-D430 IonicContact NE-OD1 3.77Å; R374-D430 IonicContact NE-OD2 3.68Å; R374-D430 PolarHBondContact NE-OD2 3.48Å; R374-H434 PolarHBondContact NH1-CD2 2.95Å; R374-H434 PolarHBondContact NH1-NE2 3.32Å; R374-H434 PolarHBondContact NH2-CD2 2.76Å; R374-H434 VanDerWaalsContact NH2-CD2 3.33Å
375	I	88.2	Confident	85	Confident	97 Å²	97	45.7 Å²	45.7	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-45.7	176.2	-65	167.2	0	0	0	109.7	V371 V372 W378 I379	V371-I375 HydrophobicContact CG1-CD1 4.09Å; V371-I375 WeakPolarHBondContact O-CG1 3.4Å; V371-I375 PolarHBondContact O-N 3.14Å; V372-I375 PolarHBondContact O-N 3.19Å; I375-W378 PolarHBondContact O-N 3.17Å; I375-I379 HydrophobicContact CG2-CD1 3.86Å; I375-I379 WeakPolarHBondContact O-CG1 3.39Å; I375-I379 PolarHBondContact O-N 2.9Å
376	L	86.2	Confident	85.7	Confident	54 Å²	54	47.7 Å²	47.7	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-40.3	-177.7	-69.5	172.7	0	0	0	113.2	V372 L373 W378 I379 I380 L621	V372-L376 HydrophobicContact CG1-CD1 3.79Å; V372-L376 HydrophobicContact CG1-CG 4.36Å; V372-L376 WeakPolarHBondContact O-CB 3.5Å; V372-L376 VanDerWaalsContact O-CG 3.25Å; V372-L376 WeakPolarHBondContact O-CG 3.41Å; V372-L376 PolarHBondContact O-N 3.05Å; L373-L376 PolarHBondContact O-N 3.39Å; L376-W378 VanDerWaalsContact C-N 3.3Å; L376-W378 PolarHBondContact O-N 3.09Å; L376-I379 PolarHBondContact O-N 2.76Å; L376-I380 HydrophobicContact CB-CD1 4.45Å; L376-I380 WeakPolarHBondContact O-CB 3.32Å; L376-I380 VanDerWaalsContact O-CG1 3.26Å; L376-I380 WeakPolarHBondContact O-CG1 3.47Å; L376-I380 PolarHBondContact O-N 3.38Å; L376-L621 HydrophobicContact CD1-CD1 3.5Å
377	I	87.6	Confident	86.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-36.2	179.5	-165.9	173.8	0	0	0	111.9	M368 L373 R374 S381 L423 I426 A427 V620	M368-I377 HydrophobicContact CG-CD1 4.48Å; L373-I377 WeakPolarHBondContact O-CG2 3.41Å; L373-I377 PolarHBondContact O-N 3.35Å; R374-I377 VanDerWaalsContact O-CG2 3.27Å; R374-I377 WeakPolarHBondContact O-CG2 3.26Å; I377-S381 WeakPolarHBondContact O-CB 3.35Å; I377-S381 PolarHBondContact O-N 2.83Å; I377-S381 PolarHBondContact O-OG 3.47Å; I377-L423 HydrophobicContact CD1-CD2 4.37Å; I377-L423 HydrophobicContact CG1-CB 4.39Å; I377-L423 HydrophobicContact CG1-CD2 4.28Å; I377-I426 HydrophobicContact CD1-CB 4.17Å; I377-I426 HydrophobicContact CD1-CG2 3.83Å; I377-A427 HydrophobicContact CD1-CB 4.33Å; I377-A427 HydrophobicContact CG1-CB 4.3Å; I377-A427 HydrophobicContact CG2-CB 3.99Å; I377-V620 HydrophobicContact CB-CG1 4.23Å; I377-V620 HydrophobicContact CD1-CG1 4.07Å; I377-V620 HydrophobicContact CG1-CG1 4.23Å
378	W	91.1	Very high	86.6	Confident	94 Å²	94	47.4 Å²	47.4	36%	0.356	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-44.3	172.9	-84.8	107.2	0	0	0	112	R374 I375 L376 S381 V382 L424 A427 M431	R374-W378 VanDerWaalsContact O-CD1 3.28Å; I375-W378 PolarHBondContact O-N 3.17Å; L376-W378 VanDerWaalsContact C-N 3.3Å; L376-W378 PolarHBondContact O-N 3.09Å; W378-S381 WeakPolarHBondContact CA-OG 3.5Å; W378-S381 PolarHBondContact O-OG 3.34Å; W378-V382 WeakPolarHBondContact O-CB 3.37Å; W378-V382 VanDerWaalsContact O-CG2 3.28Å; W378-V382 WeakPolarHBondContact O-CG2 3.29Å; W378-V382 PolarHBondContact O-N 3.44Å; W378-V382 VanDerWaalsContact O-N 3.14Å; W378-L424 HydrophobicContact CE3-CD1 4.33Å; W378-L424 HydrophobicContact CH2-CD1 4.02Å; W378-L424 HydrophobicContact CZ3-CD1 3.56Å; W378-A427 HydrophobicContact CD2-CB 4.14Å; W378-A427 HydrophobicContact CG-CB 4.45Å; W378-A427 HydrophobicContact CZ2-CB 4.14Å; W378-M431 HydrophobicContact CZ2-SD 4.39Å
379	I	89.4	Confident	87.2	Confident	85 Å²	85	49 Å²	49	44%	0.436	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-51.7	177.7	-66.2	168.8	0	0	0	110.6	I375 L376 S381 V382 L383	I375-I379 HydrophobicContact CG2-CD1 3.86Å; I375-I379 WeakPolarHBondContact O-CG1 3.39Å; I375-I379 PolarHBondContact O-N 2.9Å; L376-I379 PolarHBondContact O-N 2.76Å; I379-S381 PolarHBondContact O-N 3.27Å; I379-V382 PolarHBondContact O-N 2.03Å; I379-L383 HydrophobicContact CG2-CD1 3.79Å; I379-L383 HydrophobicContact CG2-CG 4.34Å; I379-L383 WeakPolarHBondContact O-CB 3.18Å; I379-L383 VanDerWaalsContact O-CG 3.28Å; I379-L383 WeakPolarHBondContact O-CG 3.47Å; I379-L383 PolarHBondContact O-N 3.16Å
380	I	87.8	Confident	88	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.082	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-43.3	-177.1	-65.4	168.1	0	0	0	110.8	L376 L383 A384 L423 P624 C628	L376-I380 HydrophobicContact CB-CD1 4.45Å; L376-I380 WeakPolarHBondContact O-CB 3.32Å; L376-I380 VanDerWaalsContact O-CG1 3.26Å; L376-I380 WeakPolarHBondContact O-CG1 3.47Å; L376-I380 PolarHBondContact O-N 3.38Å; I380-L383 PolarHBondContact O-N 3.44Å; I380-A384 VanDerWaalsContact O-CB 3.25Å; I380-A384 WeakPolarHBondContact O-CB 3.31Å; I380-A384 PolarHBondContact O-N 3.38Å; I380-L423 HydrophobicContact CG2-CD1 3.75Å; I380-P624 HydrophobicContact CG2-CB 4.18Å; I380-C628 HydrophobicContact CG2-CB 4.2Å
381	S	90.6	Very high	88.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-45.5	179.1	57	0	0	0	0	112.4	I377 W378 I379 A384 L385	I377-S381 WeakPolarHBondContact O-CB 3.35Å; I377-S381 PolarHBondContact O-N 2.83Å; I377-S381 PolarHBondContact O-OG 3.47Å; W378-S381 WeakPolarHBondContact CA-OG 3.5Å; W378-S381 PolarHBondContact O-OG 3.34Å; I379-S381 PolarHBondContact O-N 3.27Å; S381-A384 PolarHBondContact O-N 3.04Å; S381-L385 WeakPolarHBondContact O-CB 3.39Å; S381-L385 VanDerWaalsContact O-CG 3.26Å; S381-L385 WeakPolarHBondContact O-CG 3.37Å; S381-L385 PolarHBondContact O-N 2.99Å
382	V	91	Very high	88.7	Confident	61 Å²	61	43.2 Å²	43.2	37%	0.37	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-44.1	178.3	172.3	0	0	0	0	111.2	W378 I379 L385 L386	W378-V382 WeakPolarHBondContact O-CB 3.37Å; W378-V382 VanDerWaalsContact O-CG2 3.28Å; W378-V382 WeakPolarHBondContact O-CG2 3.29Å; W378-V382 PolarHBondContact O-N 3.44Å; W378-V382 VanDerWaalsContact O-N 3.14Å; I379-V382 PolarHBondContact O-N 2.03Å; V382-L385 PolarHBondContact O-N 2.63Å; V382-L386 HydrophobicContact CG1-CD1 3.63Å; V382-L386 HydrophobicContact CG1-CG 4.25Å; V382-L386 WeakPolarHBondContact O-CB 3.41Å; V382-L386 WeakPolarHBondContact O-CG 3.46Å; V382-L386 PolarHBondContact O-N 3.21Å
383	L	89.5	Confident	89	Confident	68 Å²	68	44 Å²	44	36%	0.356	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-43.5	177.6	-71.4	178.8	0	0	0	112.1	I379 I380 G387 C628 F632	I379-L383 HydrophobicContact CG2-CD1 3.79Å; I379-L383 HydrophobicContact CG2-CG 4.34Å; I379-L383 WeakPolarHBondContact O-CB 3.18Å; I379-L383 VanDerWaalsContact O-CG 3.28Å; I379-L383 WeakPolarHBondContact O-CG 3.47Å; I379-L383 PolarHBondContact O-N 3.16Å; I380-L383 PolarHBondContact O-N 3.44Å; L383-G387 WeakPolarHBondContact O-CA 3.19Å; L383-G387 PolarHBondContact O-N 2.88Å; L383-C628 WeakPolarHBondContact CB-SG 3.2Å; L383-F632 HydrophobicContact CD2-CZ 4.2Å
384	A	89.6	Confident	89.2	Confident	1 Å²	1	44 Å²	44	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-43	176.6	0	0	0	0	0	111.5	I380 S381 N388	I380-A384 VanDerWaalsContact O-CB 3.25Å; I380-A384 WeakPolarHBondContact O-CB 3.31Å; I380-A384 PolarHBondContact O-N 3.38Å; S381-A384 PolarHBondContact O-N 3.04Å; A384-N388 VanDerWaalsContact O-CB 3.29Å; A384-N388 WeakPolarHBondContact O-CB 3.27Å; A384-N388 PolarHBondContact O-N 3.15Å; A384-N388 PolarHBondContact O-ND2 3.4Å
385	L	92.3	Very high	89.1	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-54.8	179	-73.7	171.3	0	0	0	112.2	S381 V382 A389 L417 I421 L424	S381-L385 WeakPolarHBondContact O-CB 3.39Å; S381-L385 VanDerWaalsContact O-CG 3.26Å; S381-L385 WeakPolarHBondContact O-CG 3.37Å; S381-L385 PolarHBondContact O-N 2.99Å; V382-L385 PolarHBondContact O-N 2.63Å; L385-A389 WeakPolarHBondContact O-CB 3.32Å; L385-A389 PolarHBondContact O-N 3.3Å; L385-L417 HydrophobicContact CD2-CD1 3.84Å; L385-L417 HydrophobicContact CD2-CG 4.44Å; L385-L417 WeakPolarHBondContact O-CD1 3.43Å; L385-I421 HydrophobicContact CD2-CG1 3.81Å; L385-L424 HydrophobicContact CD1-CB 4.27Å; L385-L424 HydrophobicContact CD1-CD2 3.88Å
386	L	91.5	Very high	89	Confident	111 Å²	111	43.9 Å²	43.9	58%	0.581	24%	0.237	S	C	*	.	H	α-helix	trans	-68.1	-44.7	-176.7	-67.6	177.2	0	0	0	111.6	V382 A389 V390	V382-L386 HydrophobicContact CG1-CD1 3.63Å; V382-L386 HydrophobicContact CG1-CG 4.25Å; V382-L386 WeakPolarHBondContact O-CB 3.41Å; V382-L386 WeakPolarHBondContact O-CG 3.46Å; V382-L386 PolarHBondContact O-N 3.21Å; L386-A389 PolarHBondContact O-N 2.94Å; L386-V390 VanDerWaalsContact O-CG2 3.29Å; L386-V390 WeakPolarHBondContact O-CG2 3.47Å; L386-V390 PolarHBondContact O-N 2.91Å
387	G	89.2	Confident	88.7	Confident	17 Å²	17	42.8 Å²	42.8	18%	0.175	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-50.7	-179	0	0	0	0	0	111.9	L383 V390 V391	L383-G387 WeakPolarHBondContact O-CA 3.19Å; L383-G387 PolarHBondContact O-N 2.88Å; G387-V390 PolarHBondContact O-N 3.45Å; G387-V391 WeakPolarHBondContact O-CG2 3.49Å; G387-V391 PolarHBondContact O-N 3.45Å
388	N	90.3	Very high	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.7	-31.9	-179.1	-70.5	-67.2	0	0	0	112.9	A384 V391 L392 A413 D416 L417 S627 P631	A384-N388 VanDerWaalsContact O-CB 3.29Å; A384-N388 WeakPolarHBondContact O-CB 3.27Å; A384-N388 PolarHBondContact O-N 3.15Å; A384-N388 PolarHBondContact O-ND2 3.4Å; N388-V391 PolarHBondContact O-N 3.07Å; N388-L392 WeakPolarHBondContact O-CG 3.43Å; N388-L392 PolarHBondContact O-N 2.98Å; N388-A413 HydrophobicContact CB-CB 4.38Å; N388-A413 WeakPolarHBondContact CB-O 3.46Å; N388-D416 WeakPolarHBondContact ND2-CB 3.48Å; N388-L417 HydrophobicContact CB-CB 4.35Å; N388-S627 PolarHBondContact ND2-O 3.06Å; N388-P631 HydrophobicContact CB-CG 4.45Å; N388-P631 VanDerWaalsContact OD1-CG 3.3Å; N388-P631 WeakPolarHBondContact OD1-CG 3.27Å
389	A	91.6	Very high	87.4	Confident	34 Å²	34	46.9 Å²	46.9	28%	0.281	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-44.9	170.9	0	0	0	0	0	111.6	L385 L386 V391 L392 L393 L417	L385-A389 WeakPolarHBondContact O-CB 3.32Å; L385-A389 PolarHBondContact O-N 3.3Å; L386-A389 PolarHBondContact O-N 2.94Å; A389-V391 PolarHBondContact O-N 2.77Å; A389-L392 PolarHBondContact O-N 3.4Å; A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 VanDerWaalsContact O-CG 3.26Å; A389-L393 WeakPolarHBondContact O-CG 3.44Å; A389-L393 PolarHBondContact O-N 3.47Å; A389-L417 HydrophobicContact CB-CD1 4.36Å
390	V	88.8	Confident	86.7	Confident	60 Å²	60	44.5 Å²	44.5	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-43.4	175.1	170.5	0	0	0	0	111.1	L386 G387 L392 L393 V394 F645	L386-V390 VanDerWaalsContact O-CG2 3.29Å; L386-V390 WeakPolarHBondContact O-CG2 3.47Å; L386-V390 PolarHBondContact O-N 2.91Å; G387-V390 PolarHBondContact O-N 3.45Å; V390-L392 PolarHBondContact O-N 3.48Å; V390-L393 PolarHBondContact O-N 3.41Å; V390-V394 HydrophobicContact CG1-CG2 4.22Å; V390-V394 VanDerWaalsContact O-CG2 3.27Å; V390-V394 WeakPolarHBondContact O-CG2 3.45Å; V390-V394 PolarHBondContact O-N 2.85Å; V390-F645 HydrophobicContact CG1-CD2 4.16Å; V390-F645 HydrophobicContact CG1-CE2 3.99Å
391	V	88.3	Confident	86.2	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-47.6	176.3	171.3	0	0	0	0	111.2	G387 N388 A389 V394 L395 A413 P631 Y634 F641	G387-V391 WeakPolarHBondContact O-CG2 3.49Å; G387-V391 PolarHBondContact O-N 3.45Å; N388-V391 PolarHBondContact O-N 3.07Å; A389-V391 PolarHBondContact O-N 2.77Å; V391-V394 PolarHBondContact O-N 3.33Å; V391-L395 HydrophobicContact CG1-CD1 3.7Å; V391-L395 HydrophobicContact CG1-CG 4.29Å; V391-L395 WeakPolarHBondContact O-CB 3.38Å; V391-L395 VanDerWaalsContact O-CG 3.27Å; V391-L395 WeakPolarHBondContact O-CG 3.37Å; V391-L395 PolarHBondContact O-N 3.34Å; V391-A413 HydrophobicContact CB-CB 4.25Å; V391-A413 HydrophobicContact CG1-CB 3.79Å; V391-P631 HydrophobicContact CG2-CB 3.82Å; V391-P631 HydrophobicContact CG2-CG 4.25Å; V391-Y634 HydrophobicContact CG1-CD2 4.2Å; V391-Y634 HydrophobicContact CG2-CD2 4.26Å; V391-F641 HydrophobicContact CB-CE2 4.47Å; V391-F641 HydrophobicContact CB-CZ 4.42Å; V391-F641 HydrophobicContact CG1-CE2 4.26Å; V391-F641 HydrophobicContact CG2-CE2 4.33Å; V391-F641 HydrophobicContact CG2-CZ 3.93Å
392	L	89.7	Confident	85.8	Confident	27 Å²	27	57 Å²	57	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-46.2	176.8	-74.2	171.1	0	0	0	111.9	N388 A389 V390 V394 L395 L396 C410 A413 L417	N388-L392 WeakPolarHBondContact O-CG 3.43Å; N388-L392 PolarHBondContact O-N 2.98Å; A389-L392 PolarHBondContact O-N 3.4Å; V390-L392 PolarHBondContact O-N 3.48Å; L392-V394 VanDerWaalsContact C-N 3.35Å; L392-V394 PolarHBondContact O-N 3.49Å; L392-L395 PolarHBondContact O-N 2.95Å; L392-L396 VanDerWaalsContact O-CB 3.26Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 VanDerWaalsContact O-CG 3.26Å; L392-L396 WeakPolarHBondContact O-CG 3.46Å; L392-L396 PolarHBondContact O-N 3.44Å; L392-C410 HydrophobicContact CD2-CB 4.29Å; L392-C410 WeakPolarHBondContact CD2-O 3.4Å; L392-A413 HydrophobicContact CD2-CB 3.97Å; L392-A413 HydrophobicContact CG-CB 3.88Å; L392-L417 HydrophobicContact CD1-CD2 4.26Å
393	L	88.9	Confident	85.5	Confident	114 Å²	114	57 Å²	57	60%	0.597	31%	0.313	S	S	*	.	H	α-helix	trans	-60.3	-42.5	178.2	-73.1	170.9	0	0	0	112.2	A389 V390 G397	A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 VanDerWaalsContact O-CG 3.26Å; A389-L393 WeakPolarHBondContact O-CG 3.44Å; A389-L393 PolarHBondContact O-N 3.47Å; V390-L393 PolarHBondContact O-N 3.41Å; L393-G397 WeakPolarHBondContact O-CA 3.24Å; L393-G397 PolarHBondContact O-N 3.04Å
394	V	85.9	Confident	85.3	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-47.1	178.1	173.5	0	0	0	0	111.1	V390 V391 L392 S398 F641 D644 F645 L648	V390-V394 HydrophobicContact CG1-CG2 4.22Å; V390-V394 VanDerWaalsContact O-CG2 3.27Å; V390-V394 WeakPolarHBondContact O-CG2 3.45Å; V390-V394 PolarHBondContact O-N 2.85Å; V391-V394 PolarHBondContact O-N 3.33Å; L392-V394 VanDerWaalsContact C-N 3.35Å; L392-V394 PolarHBondContact O-N 3.49Å; V394-S398 WeakPolarHBondContact O-CB 3.29Å; V394-S398 PolarHBondContact O-N 2.91Å; V394-S398 VanDerWaalsContact O-N 3.15Å; V394-F641 HydrophobicContact CB-CE2 3.84Å; V394-F641 HydrophobicContact CB-CZ 4.05Å; V394-F641 HydrophobicContact CG1-CD2 3.97Å; V394-F641 HydrophobicContact CG1-CE2 3.66Å; V394-F641 HydrophobicContact CG1-CZ 4.06Å; V394-F641 HydrophobicContact CG2-CZ 4.22Å; V394-D644 HydrophobicContact CG1-CB 4.11Å; V394-F645 HydrophobicContact CG1-CB 4.33Å; V394-F645 HydrophobicContact CG2-CB 4.12Å; V394-F645 HydrophobicContact CG2-CD2 3.8Å; V394-F645 HydrophobicContact CG2-CG 4.47Å; V394-L648 HydrophobicContact CG2-CD2 4.17Å
395	L	84.2	Confident	84.9	Confident	12 Å²	12	55.3 Å²	55.3	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-41.3	-176	-69.2	177.2	0	0	0	112.3	V391 L392 R406 M409 F641	V391-L395 HydrophobicContact CG1-CD1 3.7Å; V391-L395 HydrophobicContact CG1-CG 4.29Å; V391-L395 WeakPolarHBondContact O-CB 3.38Å; V391-L395 VanDerWaalsContact O-CG 3.27Å; V391-L395 WeakPolarHBondContact O-CG 3.37Å; V391-L395 PolarHBondContact O-N 3.34Å; L392-L395 PolarHBondContact O-N 2.95Å; L395-R406 HydrophobicContact CD2-CG 4.35Å; L395-M409 HydrophobicContact CD1-CB 3.92Å; L395-F641 HydrophobicContact CD2-CD2 4.15Å; L395-F641 HydrophobicContact CD2-CE2 4.4Å; L395-F641 HydrophobicContact CG-CE2 4.33Å
396	L	84.9	Confident	84.5	Confident	122 Å²	122	55.5 Å²	55.5	64%	0.639	30%	0.304	S	S	*	.	H	α-helix	trans	-80.5	-30.2	179.6	-61.6	174.7	0	0	0	112.7	L392	L392-L396 VanDerWaalsContact O-CB 3.26Å; L392-L396 WeakPolarHBondContact O-CB 3.18Å; L392-L396 VanDerWaalsContact O-CG 3.26Å; L392-L396 WeakPolarHBondContact O-CG 3.46Å; L392-L396 PolarHBondContact O-N 3.44Å
397	G	80.6	Confident	84.5	Confident	32 Å²	32	51.8 Å²	51.8	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-84.4	-11.5	-179.5	0	0	0	0	0	115	L393	L393-G397 WeakPolarHBondContact O-CA 3.24Å; L393-G397 PolarHBondContact O-N 3.04Å
398	S	79.6	Confident	84.4	Confident	26 Å²	26	51.1 Å²	51.1	18%	0.182	28%	0.276	C	S	.	.			trans	-76.3	140.4	177.8	87.4	0	0	0	0	111.6	V394 S400	V394-S398 WeakPolarHBondContact O-CB 3.29Å; V394-S398 PolarHBondContact O-N 2.91Å; V394-S398 VanDerWaalsContact O-N 3.15Å; S398-S400 PolarHBondContact O-N 3.42Å; S398-S400 PolarHBondContact OG-N 3.27Å
399	H	72.9	Confident	84.2	Confident	156 Å²	156	52.7 Å²	52.7	72%	0.722	28%	0.284	S	S	*	.			trans	-77	7.7	172	-67.4	-87.5	0	0	0	113.4	R651	H399-R651 PolarHBondContact CD2-NH2 3.34Å; H399-R651 PolarHBondContact NE2-NH1 3Å; H399-R651 PolarHBondContact NE2-NH2 3.1Å
400	S	72.9	Confident	84.2	Confident	35 Å²	35	51.8 Å²	51.8	25%	0.245	28%	0.275	C	S	.	.	S	Bend	trans	-70	144.5	177.8	-69	0	0	0	0	110.6	S398 L402	S398-S400 PolarHBondContact O-N 3.42Å; S398-S400 PolarHBondContact OG-N 3.27Å; S400-L402 PolarHBondContact O-N 2.97Å
401	K	78.6	Confident	84.3	Confident	190 Å²	190	50.7 Å²	50.7	83%	0.826	27%	0.265	S	S	*	.			trans	-57.1	135.2	174	-69.9	-177.8	177.1	178.3	0	111	T403	K401-T403 PolarHBondContact O-N 3.32Å; K401-T403 VanDerWaalsContact O-N 3.09Å
402	L	81.3	Confident	84.4	Confident	88 Å²	88	50.6 Å²	50.6	46%	0.461	27%	0.265	S	S	.	.			trans	-71.7	101.1	177.9	-165.9	75.3	0	0	0	110.3	S400 R406 F407 L491	S400-L402 PolarHBondContact O-N 2.97Å; L402-R406 HydrophobicContact CD1-CB 4.33Å; L402-F407 HydrophobicContact CD2-CB 4.36Å; L402-F407 HydrophobicContact CD2-CD2 4.18Å; L402-F407 HydrophobicContact CG-CB 4.33Å; L402-L491 HydrophobicContact CD2-CD2 4.34Å
403	T	85.9	Confident	84.4	Confident	60 Å²	60	49.3 Å²	49.3	37%	0.368	26%	0.258	S	S	.	.			trans	-85.9	159.6	174.7	59.3	0	0	0	0	110.7	K401 R406 F407	K401-T403 PolarHBondContact O-N 3.32Å; K401-T403 VanDerWaalsContact O-N 3.09Å; T403-R406 PolarHBondContact O-N 3.36Å; T403-R406 VanDerWaalsContact O-N 3.08Å; T403-R406 WeakPolarHBondContact OG1-CG 3.5Å; T403-F407 PolarHBondContact O-N 3.35Å
404	V	85.4	Confident	84.7	Confident	15 Å²	15	47.2 Å²	47.2	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-53.7	-46.3	178.1	178	0	0	0	0	112.5	R406 F407 L408 E474 A494	V404-R406 VanDerWaalsContact C-N 3.33Å; V404-R406 PolarHBondContact O-N 3.11Å; V404-F407 WeakPolarHBondContact O-CB 3.38Å; V404-F407 PolarHBondContact O-N 3.45Å; V404-L408 HydrophobicContact CG1-CD1 4.11Å; V404-L408 HydrophobicContact CG1-CG 4.37Å; V404-L408 WeakPolarHBondContact O-CG 3.42Å; V404-L408 PolarHBondContact O-N 2.9Å; V404-E474 HydrophobicContact CG1-CG 3.84Å; V404-A494 HydrophobicContact CG1-CB 3.62Å; V404-A494 HydrophobicContact CG2-CB 4.32Å
405	P	81.3	Confident	85	Confident	19 Å²	19	47 Å²	47	12%	0.123	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-37.4	176.6	-23.6	33.1	0	0	0	113.5	L408 M409	P405-L408 PolarHBondContact O-N 3.23Å; P405-M409 WeakPolarHBondContact O-CB 3.18Å; P405-M409 WeakPolarHBondContact O-CE 3.08Å; P405-M409 VanDerWaalsContact O-CG 3.27Å; P405-M409 WeakPolarHBondContact O-CG 3.11Å; P405-M409 PolarHBondContact O-N 3.15Å
406	R	84.1	Confident	85.4	Confident	40 Å²	40	46.4 Å²	46.4	15%	0.151	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-40.4	177	-77.6	-176.2	168.1	121	-9.4	111.6	L395 L402 T403 V404 M409 C410 D644	L395-R406 HydrophobicContact CD2-CG 4.35Å; L402-R406 HydrophobicContact CD1-CB 4.33Å; T403-R406 PolarHBondContact O-N 3.36Å; T403-R406 VanDerWaalsContact O-N 3.08Å; T403-R406 WeakPolarHBondContact OG1-CG 3.5Å; V404-R406 VanDerWaalsContact C-N 3.33Å; V404-R406 PolarHBondContact O-N 3.11Å; R406-M409 HydrophobicContact CB-CE 4.42Å; R406-M409 HydrophobicContact CG-CE 3.99Å; R406-M409 PolarHBondContact O-N 3.46Å; R406-C410 PolarHBondContact O-N 3.3Å; R406-C410 PolarHBondContact O-SG 3.34Å; R406-D644 IonicContact NH2-OD2 3.66Å; R406-D644 PolarHBondContact NH2-OD2 3.44Å
407	F	89.6	Confident	85.8	Confident	33 Å²	33	42.5 Å²	42.5	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-47.6	174.4	173	-102.8	0	0	0	111.7	L402 T403 V404 C410 H411 L491 A494 M498	L402-F407 HydrophobicContact CD2-CB 4.36Å; L402-F407 HydrophobicContact CD2-CD2 4.18Å; L402-F407 HydrophobicContact CG-CB 4.33Å; T403-F407 PolarHBondContact O-N 3.35Å; V404-F407 WeakPolarHBondContact O-CB 3.38Å; V404-F407 PolarHBondContact O-N 3.45Å; F407-C410 WeakPolarHBondContact O-CB 3.27Å; F407-C410 PolarHBondContact O-N 3.15Å; F407-H411 AromaticContact CE1-CD2 3.85Å; F407-H411 AromaticContact CE1-NE2 3.79Å; F407-H411 AromaticContact CE2-CD2 3.92Å; F407-H411 AromaticContact CE2-NE2 3.26Å; F407-H411 VanDerWaalsContact CE2-NE2 3.26Å; F407-H411 WeakPolarHBondContact CE2-NE2 3.29Å; F407-H411 AromaticContact CZ-CD2 3.69Å; F407-H411 AromaticContact CZ-NE2 3.13Å; F407-H411 WeakPolarHBondContact CZ-NE2 3.42Å; F407-H411 PolarHBondContact O-CD2 3.31Å; F407-H411 PolarHBondContact O-N 3.43Å; F407-L491 HydrophobicContact CB-CD1 3.77Å; F407-L491 HydrophobicContact CD1-CD1 4.14Å; F407-L491 HydrophobicContact CD2-CD1 4.19Å; F407-L491 HydrophobicContact CG-CD1 3.77Å; F407-A494 HydrophobicContact CD1-CB 4.05Å; F407-A494 HydrophobicContact CE1-CB 4.16Å; F407-M498 HydrophobicContact CD1-CG 4.45Å; F407-M498 HydrophobicContact CE1-CB 4.1Å; F407-M498 HydrophobicContact CE1-CG 3.6Å; F407-M498 HydrophobicContact CZ-CB 4.32Å; F407-M498 HydrophobicContact CZ-CG 4.24Å
408	L	88.4	Confident	86.4	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-40.2	177.2	-63.6	175.6	0	0	0	112.4	V404 P405 C410 H411 L412 T467 A470 I471 E474 M498	V404-L408 HydrophobicContact CG1-CD1 4.11Å; V404-L408 HydrophobicContact CG1-CG 4.37Å; V404-L408 WeakPolarHBondContact O-CG 3.42Å; V404-L408 PolarHBondContact O-N 2.9Å; P405-L408 PolarHBondContact O-N 3.23Å; L408-C410 VanDerWaalsContact C-N 3.29Å; L408-C410 PolarHBondContact O-N 2.89Å; L408-H411 PolarHBondContact O-N 2.98Å; L408-L412 PolarHBondContact O-N 2.78Å; L408-T467 HydrophobicContact CB-CG2 4.43Å; L408-T467 VanDerWaalsContact O-CG2 3.24Å; L408-T467 WeakPolarHBondContact O-CG2 3.45Å; L408-A470 HydrophobicContact CD2-CB 4.33Å; L408-I471 HydrophobicContact CB-CD1 4.19Å; L408-I471 HydrophobicContact CB-CG1 3.59Å; L408-I471 HydrophobicContact CD1-CG1 3.93Å; L408-I471 HydrophobicContact CG-CG1 4.37Å; L408-E474 HydrophobicContact CD1-CB 4.23Å; L408-M498 HydrophobicContact CD2-CG 3.71Å; L408-M498 HydrophobicContact CD2-SD 3.57Å; L408-M498 VanDerWaalsContact CD2-SD 3.57Å
409	M	86.4	Confident	86.9	Confident	33 Å²	33	40.2 Å²	40.2	16%	0.163	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-32.6	175	-74.1	-177.1	-61.4	0	0	113	L395 P405 R406 L412 A413 Y634	L395-M409 HydrophobicContact CD1-CB 3.92Å; P405-M409 WeakPolarHBondContact O-CB 3.18Å; P405-M409 WeakPolarHBondContact O-CE 3.08Å; P405-M409 VanDerWaalsContact O-CG 3.27Å; P405-M409 WeakPolarHBondContact O-CG 3.11Å; P405-M409 PolarHBondContact O-N 3.15Å; R406-M409 HydrophobicContact CB-CE 4.42Å; R406-M409 HydrophobicContact CG-CE 3.99Å; R406-M409 PolarHBondContact O-N 3.46Å; M409-L412 PolarHBondContact O-N 2.97Å; M409-A413 WeakPolarHBondContact O-CB 3.27Å; M409-A413 PolarHBondContact O-N 2.72Å; M409-Y634 HydrophobicContact CG-CE1 4.32Å; M409-Y634 HydrophobicContact SD-CD1 4.08Å; M409-Y634 HydrophobicContact SD-CE1 4.04Å
410	C	90.1	Very high	87.9	Confident	14 Å²	14	32.8 Å²	32.8	10%	0.095	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-43.1	174.1	-65.8	0	0	0	0	111.3	L392 R406 F407 L408 A413 F414	L392-C410 HydrophobicContact CD2-CB 4.29Å; L392-C410 WeakPolarHBondContact CD2-O 3.4Å; R406-C410 PolarHBondContact O-N 3.3Å; R406-C410 PolarHBondContact O-SG 3.34Å; F407-C410 WeakPolarHBondContact O-CB 3.27Å; F407-C410 PolarHBondContact O-N 3.15Å; L408-C410 VanDerWaalsContact C-N 3.29Å; L408-C410 PolarHBondContact O-N 2.89Å; C410-A413 PolarHBondContact O-N 3.05Å; C410-F414 WeakPolarHBondContact O-CB 3.07Å; C410-F414 PolarHBondContact O-N 3.31Å
411	H	92.1	Very high	88.8	Confident	37 Å²	37	34.1 Å²	34.1	17%	0.171	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-37.6	178	-73.8	-63.6	0	0	0	112.8	F407 L408 F414 A415 T467 M498 W502	F407-H411 AromaticContact CE1-CD2 3.85Å; F407-H411 AromaticContact CE1-NE2 3.79Å; F407-H411 AromaticContact CE2-CD2 3.92Å; F407-H411 AromaticContact CE2-NE2 3.26Å; F407-H411 VanDerWaalsContact CE2-NE2 3.26Å; F407-H411 WeakPolarHBondContact CE2-NE2 3.29Å; F407-H411 AromaticContact CZ-CD2 3.69Å; F407-H411 AromaticContact CZ-NE2 3.13Å; F407-H411 WeakPolarHBondContact CZ-NE2 3.42Å; F407-H411 PolarHBondContact O-CD2 3.31Å; F407-H411 PolarHBondContact O-N 3.43Å; L408-H411 PolarHBondContact O-N 2.98Å; H411-F414 PolarHBondContact O-N 2.62Å; H411-A415 PolarHBondContact O-N 3.38Å; H411-T467 HydrophobicContact CB-CG2 4.15Å; H411-M498 HydrophobicContact CB-CE 3.67Å; H411-W502 AromaticContact CE1-NE1 3.62Å; H411-W502 AromaticContact ND1-CE2 3.92Å; H411-W502 AromaticContact ND1-CZ2 3.95Å; H411-W502 AromaticContact ND1-NE1 3.28Å; H411-W502 PolarHBondContact ND1-NE1 2.99Å
412	L	89.3	Confident	89.5	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-46.3	175	-176.9	51.7	0	0	0	111.3	L408 M409 F414 A415 D416 T467 I471 Y634	L408-L412 PolarHBondContact O-N 2.78Å; M409-L412 PolarHBondContact O-N 2.97Å; L412-F414 VanDerWaalsContact C-N 3.27Å; L412-F414 PolarHBondContact O-N 2.96Å; L412-A415 PolarHBondContact O-N 2.94Å; L412-D416 WeakPolarHBondContact O-CB 3.47Å; L412-D416 PolarHBondContact O-N 3.14Å; L412-T467 HydrophobicContact CB-CG2 3.85Å; L412-I471 HydrophobicContact CD2-CD1 3.81Å; L412-Y634 WeakPolarHBondContact CD2-OH 3.26Å
413	A	91.4	Very high	90	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-34.8	175.4	0	0	0	0	0	112.5	N388 V391 L392 M409 C410 L417	N388-A413 HydrophobicContact CB-CB 4.38Å; N388-A413 WeakPolarHBondContact CB-O 3.46Å; V391-A413 HydrophobicContact CB-CB 4.25Å; V391-A413 HydrophobicContact CG1-CB 3.79Å; L392-A413 HydrophobicContact CD2-CB 3.97Å; L392-A413 HydrophobicContact CG-CB 3.88Å; M409-A413 WeakPolarHBondContact O-CB 3.27Å; M409-A413 PolarHBondContact O-N 2.72Å; C410-A413 PolarHBondContact O-N 3.05Å; A413-L417 WeakPolarHBondContact O-CB 3.46Å; A413-L417 PolarHBondContact O-N 2.73Å
414	F	94.1	Very high	90.3	Very high	70 Å²	70	21.4 Å²	21.4	31%	0.307	11%	0.106	S	C	.	.	H	α-helix	trans	-66.5	-44.2	173.9	173.4	-93.4	0	0	0	112.7	C410 H411 L412 L417 C418 F459 L463 W502	C410-F414 WeakPolarHBondContact O-CB 3.07Å; C410-F414 PolarHBondContact O-N 3.31Å; H411-F414 PolarHBondContact O-N 2.62Å; L412-F414 VanDerWaalsContact C-N 3.27Å; L412-F414 PolarHBondContact O-N 2.96Å; F414-L417 WeakPolarHBondContact O-CB 3.24Å; F414-L417 PolarHBondContact O-N 2.84Å; F414-C418 PolarHBondContact O-N 3.48Å; F414-C418 VanDerWaalsContact O-N 3.09Å; F414-C418 PolarHBondContact O-SG 3.08Å; F414-F459 AromaticContact CE1-CE1 3.85Å; F414-F459 HydrophobicContact CE1-CE1 3.85Å; F414-F459 HydrophobicContact CE1-CZ 4.14Å; F414-L463 HydrophobicContact CD1-CD2 4.16Å; F414-L463 HydrophobicContact CE1-CD2 4.43Å; F414-W502 AromaticContact CD1-CH2 3.71Å; F414-W502 HydrophobicContact CD1-CH2 3.71Å; F414-W502 AromaticContact CD1-CZ2 3.67Å; F414-W502 HydrophobicContact CD1-CZ2 3.67Å; F414-W502 AromaticContact CE1-CH2 3.13Å; F414-W502 HydrophobicContact CE1-CH2 3.13Å; F414-W502 AromaticContact CE1-CZ2 3.62Å; F414-W502 HydrophobicContact CE1-CZ2 3.62Å; F414-W502 HydrophobicContact CE1-CZ3 4.02Å; F414-W502 AromaticContact CZ-CH2 3.68Å; F414-W502 HydrophobicContact CZ-CH2 3.68Å; F414-W502 HydrophobicContact CZ-CZ2 4.45Å
415	A	93.3	Very high	90.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-45.2	176.5	0	0	0	0	0	111.1	H411 L412 L417 C418 M419 A460 L463 S464	H411-A415 PolarHBondContact O-N 3.38Å; L412-A415 PolarHBondContact O-N 2.94Å; A415-L417 VanDerWaalsContact C-N 3.33Å; A415-L417 PolarHBondContact O-N 3.08Å; A415-C418 WeakPolarHBondContact O-CB 3.26Å; A415-C418 PolarHBondContact O-N 3.4Å; A415-C418 VanDerWaalsContact O-N 3.09Å; A415-M419 PolarHBondContact O-N 3.22Å; A415-A460 VanDerWaalsContact O-CB 3.32Å; A415-A460 WeakPolarHBondContact O-CB 3.4Å; A415-L463 HydrophobicContact CB-CB 4.02Å; A415-L463 HydrophobicContact CB-CD2 4Å; A415-L463 HydrophobicContact CB-CG 4Å; A415-S464 WeakPolarHBondContact CB-OG 3.14Å
416	D	91	Very high	91.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.1	-31	177.9	-69.5	-22.7	0	0	0	113.1	N388 L412 M419 G420 S464 S627 N630	N388-D416 WeakPolarHBondContact ND2-CB 3.48Å; L412-D416 WeakPolarHBondContact O-CB 3.47Å; L412-D416 PolarHBondContact O-N 3.14Å; D416-M419 WeakPolarHBondContact O-CB 3.4Å; D416-M419 PolarHBondContact O-N 2.73Å; D416-G420 PolarHBondContact O-N 3.35Å; D416-S464 PolarHBondContact OD1-OG 3.14Å; D416-S627 VanDerWaalsContact CG-CA 3.45Å; D416-S627 VanDerWaalsContact CG-CB 3.49Å; D416-S627 WeakPolarHBondContact OD1-CA 3.37Å; D416-S627 VanDerWaalsContact OD1-CB 3.23Å; D416-S627 WeakPolarHBondContact OD1-CB 3.12Å; D416-S627 PolarHBondContact OD1-OG 2.98Å; D416-N630 PolarHBondContact OD2-ND2 2.91Å
417	L	92.9	Very high	91.5	Very high	39 Å²	39	20.3 Å²	20.3	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-43.6	169.8	-174.5	76.5	0	0	0	111.1	L385 N388 A389 L392 A413 F414 A415 M419 G420 I421	L385-L417 HydrophobicContact CD2-CD1 3.84Å; L385-L417 HydrophobicContact CD2-CG 4.44Å; L385-L417 WeakPolarHBondContact O-CD1 3.43Å; N388-L417 HydrophobicContact CB-CB 4.35Å; A389-L417 HydrophobicContact CB-CD1 4.36Å; L392-L417 HydrophobicContact CD1-CD2 4.26Å; A413-L417 WeakPolarHBondContact O-CB 3.46Å; A413-L417 PolarHBondContact O-N 2.73Å; F414-L417 WeakPolarHBondContact O-CB 3.24Å; F414-L417 PolarHBondContact O-N 2.84Å; A415-L417 VanDerWaalsContact C-N 3.33Å; A415-L417 PolarHBondContact O-N 3.08Å; L417-M419 VanDerWaalsContact C-N 3.29Å; L417-M419 PolarHBondContact O-N 2.8Å; L417-G420 WeakPolarHBondContact O-CA 3.43Å; L417-G420 PolarHBondContact O-N 2.9Å; L417-G420 VanDerWaalsContact O-N 3.14Å; L417-I421 WeakPolarHBondContact O-CG1 3.3Å; L417-I421 PolarHBondContact O-N 2.84Å
418	C	93.9	Very high	91.6	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.041	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-38.9	175.6	-64.7	0	0	0	0	111.5	F414 A415 G420 I421 Y422 F456 A460	F414-C418 PolarHBondContact O-N 3.48Å; F414-C418 VanDerWaalsContact O-N 3.09Å; F414-C418 PolarHBondContact O-SG 3.08Å; A415-C418 WeakPolarHBondContact O-CB 3.26Å; A415-C418 PolarHBondContact O-N 3.4Å; A415-C418 VanDerWaalsContact O-N 3.09Å; C418-G420 VanDerWaalsContact C-N 3.33Å; C418-G420 PolarHBondContact O-N 2.86Å; C418-I421 PolarHBondContact O-N 3.2Å; C418-Y422 PolarHBondContact O-N 3.39Å; C418-Y422 VanDerWaalsContact O-N 3.09Å; C418-F456 HydrophobicContact CB-CD1 4.26Å; C418-A460 HydrophobicContact CB-CB 3.89Å
419	M	91.1	Very high	91.8	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.02	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-41	173.2	-170.7	59	-160.1	0	0	111.8	A415 D416 L417 I421 Y422 L423 A460 Y623 P624	A415-M419 PolarHBondContact O-N 3.22Å; D416-M419 WeakPolarHBondContact O-CB 3.4Å; D416-M419 PolarHBondContact O-N 2.73Å; L417-M419 VanDerWaalsContact C-N 3.29Å; L417-M419 PolarHBondContact O-N 2.8Å; M419-I421 PolarHBondContact O-N 3.44Å; M419-Y422 HydrophobicContact CE-CD1 3.39Å; M419-Y422 HydrophobicContact CE-CE1 3.48Å; M419-Y422 VanDerWaalsContact CE-CE1 3.48Å; M419-Y422 WeakPolarHBondContact O-CB 3.41Å; M419-Y422 PolarHBondContact O-N 3.06Å; M419-Y422 HydrophobicContact SD-CD1 3.76Å; M419-Y422 HydrophobicContact SD-CE1 4.31Å; M419-L423 HydrophobicContact CE-CD2 4.05Å; M419-L423 HydrophobicContact CE-CG 4.17Å; M419-L423 PolarHBondContact O-N 3.32Å; M419-L423 VanDerWaalsContact O-N 3.07Å; M419-A460 HydrophobicContact CB-CB 3.93Å; M419-Y623 HydrophobicContact CE-CD1 3.39Å; M419-Y623 HydrophobicContact CE-CE1 3.53Å; M419-Y623 HydrophobicContact SD-CD1 4.36Å; M419-Y623 HydrophobicContact SD-CE1 3.98Å; M419-P624 HydrophobicContact CE-CB 3.73Å; M419-P624 HydrophobicContact CE-CG 3.72Å; M419-P624 HydrophobicContact CG-CB 4.3Å
420	G	92.1	Very high	92	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60	-41.1	173.3	0	0	0	0	0	113.5	D416 L417 C418 L423 L424	D416-G420 PolarHBondContact O-N 3.35Å; L417-G420 WeakPolarHBondContact O-CA 3.43Å; L417-G420 PolarHBondContact O-N 2.9Å; L417-G420 VanDerWaalsContact O-N 3.14Å; C418-G420 VanDerWaalsContact C-N 3.33Å; C418-G420 PolarHBondContact O-N 2.86Å; G420-L423 PolarHBondContact O-N 3.2Å; G420-L424 WeakPolarHBondContact O-CB 3.34Å; G420-L424 PolarHBondContact O-N 3.18Å
421	I	93.1	Very high	92	Very high	64 Å²	64	24.7 Å²	24.7	33%	0.328	13%	0.128	S	C	.	.	H	α-helix	trans	-61.7	-46.3	175.4	-66.3	171.1	0	0	0	110.5	L385 L417 C418 M419 L423 L424 V425	L385-I421 HydrophobicContact CD2-CG1 3.81Å; L417-I421 WeakPolarHBondContact O-CG1 3.3Å; L417-I421 PolarHBondContact O-N 2.84Å; C418-I421 PolarHBondContact O-N 3.2Å; M419-I421 PolarHBondContact O-N 3.44Å; I421-L423 PolarHBondContact O-N 3.48Å; I421-L424 PolarHBondContact O-N 3Å; I421-V425 WeakPolarHBondContact O-CG2 3.39Å; I421-V425 PolarHBondContact O-N 2.97Å
422	Y	93.1	Very high	91.9	Very high	7 Å²	7	30.4 Å²	30.4	3%	0.027	15%	0.153	C	C	.	.	H	α-helix	trans	-56.6	-49	176.6	155.6	-101.2	0	0	0	111.9	C418 M419 L424 V425 I426 A453 T457 I524	C418-Y422 PolarHBondContact O-N 3.39Å; C418-Y422 VanDerWaalsContact O-N 3.09Å; M419-Y422 HydrophobicContact CE-CD1 3.39Å; M419-Y422 HydrophobicContact CE-CE1 3.48Å; M419-Y422 VanDerWaalsContact CE-CE1 3.48Å; M419-Y422 WeakPolarHBondContact O-CB 3.41Å; M419-Y422 PolarHBondContact O-N 3.06Å; M419-Y422 HydrophobicContact SD-CD1 3.76Å; M419-Y422 HydrophobicContact SD-CE1 4.31Å; Y422-L424 VanDerWaalsContact C-N 3.31Å; Y422-L424 PolarHBondContact O-N 3.37Å; Y422-V425 WeakPolarHBondContact O-CB 3.32Å; Y422-V425 PolarHBondContact O-N 2.95Å; Y422-I426 HydrophobicContact CD2-CG1 4.13Å; Y422-I426 HydrophobicContact CE2-CD1 4.03Å; Y422-I426 HydrophobicContact CE2-CG1 3.67Å; Y422-I426 WeakPolarHBondContact O-CG1 3.2Å; Y422-I426 PolarHBondContact O-N 3.37Å; Y422-I426 VanDerWaalsContact O-N 3.09Å; Y422-A453 HydrophobicContact CD2-CB 4.01Å; Y422-A453 VanDerWaalsContact CD2-O 3.25Å; Y422-A453 WeakPolarHBondContact CD2-O 3.38Å; Y422-A453 HydrophobicContact CE2-CB 4.33Å; Y422-T457 HydrophobicContact CD2-CG2 4.24Å; Y422-T457 HydrophobicContact CE2-CG2 3.96Å; Y422-I524 WeakPolarHBondContact OH-CG2 3.33Å; Y422-I524 PolarHBondContact OH-O 3.44Å
423	L	91.3	Very high	92	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-38.6	178.7	-68.3	179.2	0	0	0	112.8	I377 I380 M419 G420 I421 V425 I426 A427 P624	I377-L423 HydrophobicContact CD1-CD2 4.37Å; I377-L423 HydrophobicContact CG1-CB 4.39Å; I377-L423 HydrophobicContact CG1-CD2 4.28Å; I380-L423 HydrophobicContact CG2-CD1 3.75Å; M419-L423 HydrophobicContact CE-CD2 4.05Å; M419-L423 HydrophobicContact CE-CG 4.17Å; M419-L423 PolarHBondContact O-N 3.32Å; M419-L423 VanDerWaalsContact O-N 3.07Å; G420-L423 PolarHBondContact O-N 3.2Å; I421-L423 PolarHBondContact O-N 3.48Å; L423-V425 VanDerWaalsContact C-N 3.33Å; L423-I426 PolarHBondContact O-N 3.08Å; L423-A427 WeakPolarHBondContact O-CB 3.42Å; L423-A427 PolarHBondContact O-N 3.2Å; L423-P624 HydrophobicContact CD1-CB 3.57Å; L423-P624 HydrophobicContact CD1-CG 3.91Å; L423-P624 HydrophobicContact CD2-CB 4.29Å; L423-P624 HydrophobicContact CD2-CG 3.75Å; L423-P624 HydrophobicContact CG-CB 4.29Å; L423-P624 HydrophobicContact CG-CG 4.3Å
424	L	92.4	Very high	91.7	Very high	59 Å²	59	36 Å²	36	31%	0.309	18%	0.179	S	C	.	.	H	α-helix	trans	-62.8	-41.1	176.7	-179.3	64	0	0	0	111.4	W378 L385 G420 I421 Y422 A427 T428	W378-L424 HydrophobicContact CE3-CD1 4.33Å; W378-L424 HydrophobicContact CH2-CD1 4.02Å; W378-L424 HydrophobicContact CZ3-CD1 3.56Å; L385-L424 HydrophobicContact CD1-CB 4.27Å; L385-L424 HydrophobicContact CD1-CD2 3.88Å; G420-L424 WeakPolarHBondContact O-CB 3.34Å; G420-L424 PolarHBondContact O-N 3.18Å; I421-L424 PolarHBondContact O-N 3Å; Y422-L424 VanDerWaalsContact C-N 3.31Å; Y422-L424 PolarHBondContact O-N 3.37Å; L424-A427 PolarHBondContact O-N 3.4Å; L424-T428 VanDerWaalsContact O-CB 3.32Å; L424-T428 WeakPolarHBondContact O-CB 3.49Å; L424-T428 PolarHBondContact O-N 2.95Å; L424-T428 PolarHBondContact O-OG1 3.1Å
425	V	93.1	Very high	91.2	Very high	50 Å²	50	35 Å²	35	30%	0.303	19%	0.189	S	C	.	.	H	α-helix	trans	-60.4	-48.4	175.2	170.4	0	0	0	0	110.5	I421 Y422 L423 T428 V429 W444 A453	I421-V425 WeakPolarHBondContact O-CG2 3.39Å; I421-V425 PolarHBondContact O-N 2.97Å; Y422-V425 WeakPolarHBondContact O-CB 3.32Å; Y422-V425 PolarHBondContact O-N 2.95Å; L423-V425 VanDerWaalsContact C-N 3.33Å; V425-T428 PolarHBondContact O-N 3.39Å; V425-V429 VanDerWaalsContact O-CG2 3.32Å; V425-V429 WeakPolarHBondContact O-CG2 3.46Å; V425-V429 PolarHBondContact O-N 3.4Å; V425-W444 HydrophobicContact CG1-CH2 3.8Å; V425-A453 HydrophobicContact CG1-CB 4.24Å
426	I	91.3	Very high	90.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-46.1	178.6	-62.1	-58.2	0	0	0	111.4	I367 M368 I377 Y422 L423 T428 V429 D430 W444 A453	I367-I426 HydrophobicContact CG2-CG2 3.95Å; M368-I426 HydrophobicContact CE-CG2 4.01Å; I377-I426 HydrophobicContact CD1-CB 4.17Å; I377-I426 HydrophobicContact CD1-CG2 3.83Å; Y422-I426 HydrophobicContact CD2-CG1 4.13Å; Y422-I426 HydrophobicContact CE2-CD1 4.03Å; Y422-I426 HydrophobicContact CE2-CG1 3.67Å; Y422-I426 WeakPolarHBondContact O-CG1 3.2Å; Y422-I426 PolarHBondContact O-N 3.37Å; Y422-I426 VanDerWaalsContact O-N 3.09Å; L423-I426 PolarHBondContact O-N 3.08Å; I426-T428 VanDerWaalsContact C-N 3.3Å; I426-T428 PolarHBondContact O-N 3.49Å; I426-V429 PolarHBondContact O-N 2.99Å; I426-D430 WeakPolarHBondContact O-CB 3.33Å; I426-D430 PolarHBondContact O-N 3.33Å; I426-W444 HydrophobicContact CD1-CZ2 3.94Å; I426-A453 HydrophobicContact CD1-CB 4.41Å
427	A	91	Very high	90.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-38.8	178.7	0	0	0	0	0	112.5	I377 W378 L423 L424 M431	I377-A427 HydrophobicContact CD1-CB 4.33Å; I377-A427 HydrophobicContact CG1-CB 4.3Å; I377-A427 HydrophobicContact CG2-CB 3.99Å; W378-A427 HydrophobicContact CD2-CB 4.14Å; W378-A427 HydrophobicContact CG-CB 4.45Å; W378-A427 HydrophobicContact CZ2-CB 4.14Å; L423-A427 WeakPolarHBondContact O-CB 3.42Å; L423-A427 PolarHBondContact O-N 3.2Å; L424-A427 PolarHBondContact O-N 3.4Å; A427-M431 PolarHBondContact O-N 3.11Å; A427-M431 VanDerWaalsContact O-N 3.15Å
428	T	92.4	Very high	90.1	Very high	44 Å²	44	44.7 Å²	44.7	27%	0.27	22%	0.224	S	C	.	.	H	α-helix	trans	-66.2	-46.4	178.2	-59	0	0	0	0	111.2	L424 V425 I426 M431 F432	L424-T428 VanDerWaalsContact O-CB 3.32Å; L424-T428 WeakPolarHBondContact O-CB 3.49Å; L424-T428 PolarHBondContact O-N 2.95Å; L424-T428 PolarHBondContact O-OG1 3.1Å; V425-T428 PolarHBondContact O-N 3.39Å; I426-T428 VanDerWaalsContact C-N 3.3Å; I426-T428 PolarHBondContact O-N 3.49Å; T428-M431 PolarHBondContact O-N 3.49Å; T428-F432 HydrophobicContact CG2-CD2 3.75Å; T428-F432 HydrophobicContact CG2-CE2 3.46Å; T428-F432 VanDerWaalsContact CG2-CE2 3.46Å; T428-F432 WeakPolarHBondContact O-CD2 3.39Å; T428-F432 PolarHBondContact O-N 2.89Å; T428-F432 VanDerWaalsContact O-N 3.15Å
429	V	91.9	Very high	89.9	Confident	24 Å²	24	45.7 Å²	45.7	15%	0.145	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-39.1	-179.2	178	0	0	0	0	111.5	I367 V425 I426 M431 F432 T433 W444	I367-V429 HydrophobicContact CD1-CB 4.21Å; I367-V429 HydrophobicContact CD1-CG1 3.6Å; V425-V429 VanDerWaalsContact O-CG2 3.32Å; V425-V429 WeakPolarHBondContact O-CG2 3.46Å; V425-V429 PolarHBondContact O-N 3.4Å; I426-V429 PolarHBondContact O-N 2.99Å; V429-M431 VanDerWaalsContact C-N 3.32Å; V429-M431 PolarHBondContact O-N 3.4Å; V429-F432 PolarHBondContact O-N 3.01Å; V429-T433 HydrophobicContact CG1-CG2 4.23Å; V429-T433 WeakPolarHBondContact O-CB 3.18Å; V429-T433 WeakPolarHBondContact O-CG2 3.18Å; V429-T433 PolarHBondContact O-N 2.91Å; V429-T433 PolarHBondContact O-OG1 2.99Å; V429-W444 HydrophobicContact CB-CH2 4.49Å; V429-W444 HydrophobicContact CB-CZ3 4.45Å; V429-W444 HydrophobicContact CG1-CD2 3.83Å; V429-W444 HydrophobicContact CG1-CE3 3.89Å; V429-W444 HydrophobicContact CG1-CG 4.28Å; V429-W444 HydrophobicContact CG1-CZ3 4.29Å; V429-W444 HydrophobicContact CG2-CE3 3.96Å; V429-W444 HydrophobicContact CG2-CH2 3.71Å; V429-W444 HydrophobicContact CG2-CZ2 4.27Å; V429-W444 HydrophobicContact CG2-CZ3 3.52Å
430	D	90.6	Very high	89.8	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.027	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-44.9	174.1	-176.9	73.6	0	0	0	111.3	I367 M368 R374 I426 F432 T433 H434	I367-D430 HydrophobicContact CB-CB 4.2Å; M368-D430 PolarHBondContact N-OD1 2.82Å; R374-D430 VanDerWaalsContact CD-OD2 3.32Å; R374-D430 WeakPolarHBondContact CD-OD2 3.42Å; R374-D430 WeakPolarHBondContact CG-OD2 3.29Å; R374-D430 IonicContact CZ-OD2 3.38Å; R374-D430 IonicContact NE-OD1 3.77Å; R374-D430 IonicContact NE-OD2 3.68Å; R374-D430 PolarHBondContact NE-OD2 3.48Å; I426-D430 WeakPolarHBondContact O-CB 3.33Å; I426-D430 PolarHBondContact O-N 3.33Å; D430-F432 PolarHBondContact O-N 2.72Å; D430-T433 PolarHBondContact O-N 3.01Å; D430-H434 PolarHBondContact O-N 2.91Å; D430-H434 VanDerWaalsContact O-N 3.1Å
431	M	90.8	Very high	89.6	Confident	103 Å²	103	48.9 Å²	48.9	51%	0.507	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-44.4	177	-174.9	-177	68.4	0	0	112.5	W378 A427 T428 V429	W378-M431 HydrophobicContact CZ2-SD 4.39Å; A427-M431 PolarHBondContact O-N 3.11Å; A427-M431 VanDerWaalsContact O-N 3.15Å; T428-M431 PolarHBondContact O-N 3.49Å; V429-M431 VanDerWaalsContact C-N 3.32Å; V429-M431 PolarHBondContact O-N 3.4Å
432	F	90.9	Very high	89.4	Confident	156 Å²	156	46.5 Å²	46.5	68%	0.684	23%	0.231	S	C	*	.	H	α-helix	trans	-72.7	-28.3	-178.8	-77.2	-60.9	0	0	0	114.1	T428 V429 D430	T428-F432 HydrophobicContact CG2-CD2 3.75Å; T428-F432 HydrophobicContact CG2-CE2 3.46Å; T428-F432 VanDerWaalsContact CG2-CE2 3.46Å; T428-F432 WeakPolarHBondContact O-CD2 3.39Å; T428-F432 PolarHBondContact O-N 2.89Å; T428-F432 VanDerWaalsContact O-N 3.15Å; V429-F432 PolarHBondContact O-N 3.01Å; D430-F432 PolarHBondContact O-N 2.72Å
433	T	89.6	Confident	89.2	Confident	12 Å²	12	48.9 Å²	48.9	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-101.3	5	-175.6	59.8	0	0	0	0	113.5	V429 D430 G435 R436 Y437 H440	V429-T433 HydrophobicContact CG1-CG2 4.23Å; V429-T433 WeakPolarHBondContact O-CB 3.18Å; V429-T433 WeakPolarHBondContact O-CG2 3.18Å; V429-T433 PolarHBondContact O-N 2.91Å; V429-T433 PolarHBondContact O-OG1 2.99Å; D430-T433 PolarHBondContact O-N 3.01Å; T433-G435 PolarHBondContact O-N 3.49Å; T433-R436 CarbonylContact O-C 3.43Å; T433-R436 PolarHBondContact O-N 3.37Å; T433-Y437 PolarHBondContact O-N 2.84Å; T433-H440 HydrophobicContact CG2-CB 3.66Å
434	H	86.8	Confident	89.2	Confident	106 Å²	106	50 Å²	50	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	126.1	-176.8	-178.3	-102.8	0	0	0	113.9	D366 R374 D430 R436	D366-H434 IonicContact OD2-CD2 2.73Å; R374-H434 PolarHBondContact NH1-CD2 2.95Å; R374-H434 PolarHBondContact NH1-NE2 3.32Å; R374-H434 PolarHBondContact NH2-CD2 2.76Å; R374-H434 VanDerWaalsContact NH2-CD2 3.33Å; D430-H434 PolarHBondContact O-N 2.91Å; D430-H434 VanDerWaalsContact O-N 3.1Å; H434-R436 PolarHBondContact O-N 2.95Å; H434-R436 VanDerWaalsContact O-N 3.1Å
435	G	81.9	Confident	89.1	Confident	50 Å²	50	47.9 Å²	47.9	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	-0.7	178.7	0	0	0	0	0	115.1	D366 T433	D366-G435 PolarHBondContact OD1-N 3.22Å; D366-G435 VanDerWaalsContact OD1-N 3.13Å; D366-G435 PolarHBondContact OD2-N 3.16Å; T433-G435 PolarHBondContact O-N 3.49Å
436	R	84.4	Confident	88.8	Confident	177 Å²	177	48.8 Å²	48.8	67%	0.668	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.3	15.5	179.9	-61	-175.9	-175.2	175	2.9	112.5	T433 H434 Y438 N439 H440	T433-R436 CarbonylContact O-C 3.43Å; T433-R436 PolarHBondContact O-N 3.37Å; H434-R436 PolarHBondContact O-N 2.95Å; H434-R436 VanDerWaalsContact O-N 3.1Å; R436-Y438 PolarHBondContact O-N 3.28Å; R436-Y438 VanDerWaalsContact O-N 3.1Å; R436-N439 PolarHBondContact O-N 3.06Å; R436-H440 PolarHBondContact O-CD2 2.99Å
437	Y	85.8	Confident	88.8	Confident	12 Å²	12	49.9 Å²	49.9	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-56	-34.4	-175.4	178.2	-107.4	0	0	0	112.2	D366 I367 T433 N439 H440 A441 W444 S523	D366-Y437 WeakPolarHBondContact OD1-CB 3.46Å; I367-Y437 HydrophobicContact CD1-CD2 3.83Å; I367-Y437 HydrophobicContact CD1-CE2 3.52Å; I367-Y437 HydrophobicContact CG1-CD1 4.4Å; I367-Y437 HydrophobicContact CG1-CD2 3.48Å; I367-Y437 VanDerWaalsContact CG1-CD2 3.48Å; I367-Y437 HydrophobicContact CG1-CE1 4.27Å; I367-Y437 HydrophobicContact CG1-CE2 3.32Å; I367-Y437 HydrophobicContact CG1-CG 4.04Å; T433-Y437 PolarHBondContact O-N 2.84Å; Y437-N439 PolarHBondContact O-N 3.23Å; Y437-H440 CarbonylContact O-C 3.52Å; Y437-H440 PolarHBondContact O-N 2.93Å; Y437-A441 HydrophobicContact CD1-CB 4.2Å; Y437-A441 HydrophobicContact CE1-CB 3.7Å; Y437-A441 HydrophobicContact CE2-CB 4.3Å; Y437-A441 WeakPolarHBondContact O-CA 3.4Å; Y437-A441 WeakPolarHBondContact O-CB 3.43Å; Y437-A441 PolarHBondContact O-N 3.44Å; Y437-W444 HydrophobicContact CE2-CB 4.48Å; Y437-W444 AromaticContact CE2-CD1 3.99Å; Y437-W444 HydrophobicContact CE2-CG 4.46Å; Y437-S523 WeakPolarHBondContact OH-CA 3.45Å; Y437-S523 WeakPolarHBondContact OH-CB 3.4Å
438	Y	85.4	Confident	88.7	Confident	53 Å²	53	58.1 Å²	58.1	21%	0.208	29%	0.29	C	S	.	.	H	α-helix	trans	-51.7	-31.9	176.8	75	-94.3	0	0	0	114.5	S311 A315 R436	S311-Y438 WeakPolarHBondContact O-CB 3.45Å; S311-Y438 PolarHBondContact OG-O 2.74Å; A315-Y438 HydrophobicContact CB-CD2 3.79Å; A315-Y438 HydrophobicContact CB-CE2 3.45Å; A315-Y438 VanDerWaalsContact CB-CE2 3.45Å; R436-Y438 PolarHBondContact O-N 3.28Å; R436-Y438 VanDerWaalsContact O-N 3.1Å
439	N	88.1	Confident	88.7	Confident	27 Å²	27	57.5 Å²	57.5	14%	0.144	29%	0.292	C	S	.	.	H	α-helix	trans	-91.7	-13.3	-179.4	-134.3	16.5	0	0	0	113	K292 L293 R436 Y437	K292-N439 VanDerWaalsContact CA-OD1 3.27Å; K292-N439 WeakPolarHBondContact CA-OD1 3.41Å; L293-N439 PolarHBondContact N-OD1 2.93Å; L293-N439 PolarHBondContact O-ND2 3.28Å; R436-N439 PolarHBondContact O-N 3.06Å; Y437-N439 PolarHBondContact O-N 3.23Å
440	H	89.4	Confident	88.7	Confident	69 Å²	69	56.3 Å²	56.3	32%	0.319	29%	0.286	S	S	.	.	H	α-helix	trans	-106.8	-12.7	177	-70	-83	0	0	0	112.8	T433 R436 Y437 I442 D443 W444	T433-H440 HydrophobicContact CG2-CB 3.66Å; R436-H440 PolarHBondContact O-CD2 2.99Å; Y437-H440 CarbonylContact O-C 3.52Å; Y437-H440 PolarHBondContact O-N 2.93Å; H440-I442 VanDerWaalsContact C-N 3.34Å; H440-I442 PolarHBondContact O-N 2.9Å; H440-D443 PolarHBondContact O-N 2.94Å; H440-W444 WeakPolarHBondContact O-CB 3.4Å; H440-W444 PolarHBondContact O-N 3.02Å
441	A	87.7	Confident	88.8	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-55.9	-46.8	-173.1	0	0	0	0	0	112	Y437 W444 Q445	Y437-A441 HydrophobicContact CD1-CB 4.2Å; Y437-A441 HydrophobicContact CE1-CB 3.7Å; Y437-A441 HydrophobicContact CE2-CB 4.3Å; Y437-A441 WeakPolarHBondContact O-CA 3.4Å; Y437-A441 WeakPolarHBondContact O-CB 3.43Å; Y437-A441 PolarHBondContact O-N 3.44Å; A441-W444 PolarHBondContact O-N 3.04Å; A441-Q445 VanDerWaalsContact O-CB 3.22Å; A441-Q445 WeakPolarHBondContact O-CB 3.44Å; A441-Q445 VanDerWaalsContact O-CG 3.29Å; A441-Q445 WeakPolarHBondContact O-CG 3.28Å; A441-Q445 PolarHBondContact O-N 2.88Å
442	I	88.6	Confident	89	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-43.9	-178.2	-54.9	-53.7	0	0	0	111.3	K291 Y309 H440 W444 T446	K291-I442 HydrophobicContact CB-CG2 4.41Å; K291-I442 HydrophobicContact CD-CG2 4.06Å; K291-I442 HydrophobicContact CG-CG2 4Å; Y309-I442 HydrophobicContact CD1-CD1 3.38Å; Y309-I442 HydrophobicContact CD1-CG1 3.83Å; Y309-I442 HydrophobicContact CD1-CG2 4.49Å; Y309-I442 HydrophobicContact CD2-CD1 4.42Å; Y309-I442 HydrophobicContact CD2-CG1 3.97Å; Y309-I442 HydrophobicContact CE1-CD1 3.89Å; Y309-I442 HydrophobicContact CE1-CG1 4.16Å; Y309-I442 HydrophobicContact CE1-CG2 3.96Å; Y309-I442 HydrophobicContact CE2-CG1 4.29Å; Y309-I442 HydrophobicContact CE2-CG2 4.22Å; Y309-I442 HydrophobicContact CG-CD1 3.68Å; Y309-I442 HydrophobicContact CG-CG1 3.72Å; H440-I442 VanDerWaalsContact C-N 3.34Å; H440-I442 PolarHBondContact O-N 2.9Å; I442-W444 VanDerWaalsContact C-N 3.33Å; I442-W444 PolarHBondContact O-N 2.87Å; I442-T446 HydrophobicContact CG2-CG2 4.22Å; I442-T446 WeakPolarHBondContact O-CB 2.99Å; I442-T446 WeakPolarHBondContact O-CG2 2.96Å; I442-T446 PolarHBondContact O-N 3.36Å; I442-T446 PolarHBondContact O-OG1 3.22Å
443	D	90.5	Very high	89.1	Confident	57 Å²	57	49.3 Å²	49.3	31%	0.305	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-40.4	176.8	-78	-23.9	0	0	0	111.6	K291 K292 H440 G447	K291-D443 WeakPolarHBondContact CD-OD1 3.32Å; K291-D443 IonicContact NZ-OD1 2.81Å; K292-D443 WeakPolarHBondContact CE-OD2 3.5Å; K292-D443 IonicContact NZ-OD2 2.73Å; K292-D443 PolarHBondContact NZ-OD2 3.34Å; H440-D443 PolarHBondContact O-N 2.94Å; D443-G447 VanDerWaalsContact O-CA 3.28Å; D443-G447 WeakPolarHBondContact O-CA 3.3Å; D443-G447 PolarHBondContact O-N 3.09Å
444	W	91.3	Very high	89.2	Confident	30 Å²	30	48.8 Å²	48.8	11%	0.114	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-56.8	176.2	173.5	-118	0	0	0	111.8	V425 I426 V429 Y437 H440 A441 I442 T446 G447 C450 A453 S523	V425-W444 HydrophobicContact CG1-CH2 3.8Å; I426-W444 HydrophobicContact CD1-CZ2 3.94Å; V429-W444 HydrophobicContact CB-CH2 4.49Å; V429-W444 HydrophobicContact CB-CZ3 4.45Å; V429-W444 HydrophobicContact CG1-CD2 3.83Å; V429-W444 HydrophobicContact CG1-CE3 3.89Å; V429-W444 HydrophobicContact CG1-CG 4.28Å; V429-W444 HydrophobicContact CG1-CZ3 4.29Å; V429-W444 HydrophobicContact CG2-CE3 3.96Å; V429-W444 HydrophobicContact CG2-CH2 3.71Å; V429-W444 HydrophobicContact CG2-CZ2 4.27Å; V429-W444 HydrophobicContact CG2-CZ3 3.52Å; Y437-W444 HydrophobicContact CE2-CB 4.48Å; Y437-W444 AromaticContact CE2-CD1 3.99Å; Y437-W444 HydrophobicContact CE2-CG 4.46Å; H440-W444 WeakPolarHBondContact O-CB 3.4Å; H440-W444 PolarHBondContact O-N 3.02Å; A441-W444 PolarHBondContact O-N 3.04Å; I442-W444 VanDerWaalsContact C-N 3.33Å; I442-W444 PolarHBondContact O-N 2.87Å; W444-T446 PolarHBondContact O-N 3.17Å; W444-G447 PolarHBondContact O-N 3.05Å; W444-C450 HydrophobicContact CD2-CB 4.22Å; W444-C450 HydrophobicContact CZ2-CB 4.14Å; W444-C450 WeakPolarHBondContact O-CB 3.37Å; W444-A453 HydrophobicContact CH2-CB 4.47Å; W444-S523 PolarHBondContact NE1-O 2.66Å
445	Q	89.5	Confident	89.6	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-43.4	-174.7	-77.1	175.3	-28.4	0	0	112.7	N362 A441 S520	N362-Q445 PolarHBondContact OD1-NE2 3.28Å; A441-Q445 VanDerWaalsContact O-CB 3.22Å; A441-Q445 WeakPolarHBondContact O-CB 3.44Å; A441-Q445 VanDerWaalsContact O-CG 3.29Å; A441-Q445 WeakPolarHBondContact O-CG 3.28Å; A441-Q445 PolarHBondContact O-N 2.88Å; Q445-S520 WeakPolarHBondContact CB-O 3.29Å; Q445-S520 WeakPolarHBondContact O-CA 3.29Å; Q445-S520 WeakPolarHBondContact O-CB 3.39Å; Q445-S520 PolarHBondContact O-OG 2.91Å
446	T	87.8	Confident	90.1	Very high	69 Å²	69	46.7 Å²	46.7	42%	0.423	23%	0.229	S	C	.	.	H	α-helix	trans	-84.2	-14.6	179.8	65.3	0	0	0	0	113.2	I442 W444	I442-T446 HydrophobicContact CG2-CG2 4.22Å; I442-T446 WeakPolarHBondContact O-CB 2.99Å; I442-T446 WeakPolarHBondContact O-CG2 2.96Å; I442-T446 PolarHBondContact O-N 3.36Å; I442-T446 PolarHBondContact O-OG1 3.22Å; W444-T446 PolarHBondContact O-N 3.17Å
447	G	89.8	Confident	90.5	Very high	23 Å²	23	38.2 Å²	38.2	24%	0.237	20%	0.197	C	C	.	.	S	Bend	trans	-74.9	169.5	-177.3	0	0	0	0	0	114.2	D443 W444 G449	D443-G447 VanDerWaalsContact O-CA 3.28Å; D443-G447 WeakPolarHBondContact O-CA 3.3Å; D443-G447 PolarHBondContact O-N 3.09Å; W444-G447 PolarHBondContact O-N 3.05Å; G447-G449 VanDerWaalsContact C-N 3.29Å; G447-G449 PolarHBondContact O-N 3.36Å
448	F	90.2	Very high	90.7	Very high	173 Å²	173	37.9 Å²	37.9	76%	0.759	20%	0.196	S	C	*	.	H	α-helix	trans	-63.6	-34.5	176.3	179.2	-100.4	0	0	0	112.5	C450 K451 A452	F448-C450 PolarHBondContact O-N 3.04Å; F448-K451 PolarHBondContact O-N 2.77Å; F448-A452 HydrophobicContact CE1-CB 4.15Å; F448-A452 HydrophobicContact CZ-CB 4.4Å; F448-A452 PolarHBondContact O-N 3.36Å
449	G	91.5	Very high	91.2	Very high	31 Å²	31	35.9 Å²	35.9	32%	0.32	19%	0.188	S	C	.	.	H	α-helix	trans	-57.3	-47.2	-177.4	0	0	0	0	0	113.3	G447 A452 A453	G447-G449 VanDerWaalsContact C-N 3.29Å; G447-G449 PolarHBondContact O-N 3.36Å; G449-A452 PolarHBondContact O-N 3.36Å; G449-A453 WeakPolarHBondContact O-CB 3.43Å; G449-A453 PolarHBondContact O-N 3.3Å
450	C	92.6	Very high	91.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.7	-36.1	178.6	-171.8	0	0	0	0	112.4	W444 F448 A453 G454 Y519 C525	W444-C450 HydrophobicContact CD2-CB 4.22Å; W444-C450 HydrophobicContact CZ2-CB 4.14Å; W444-C450 WeakPolarHBondContact O-CB 3.37Å; F448-C450 PolarHBondContact O-N 3.04Å; C450-A453 PolarHBondContact O-N 3.4Å; C450-G454 PolarHBondContact O-N 3.2Å; C450-Y519 PolarHBondContact SG-O 3.29Å; C450-C525 WeakPolarHBondContact CA-SG 2.97Å; C450-C525 HydrophobicContact CB-CB 4.19Å; C450-C525 WeakPolarHBondContact CB-SG 3.22Å; C450-C525 VanDerWaalsContact O-CB 3.3Å; C450-C525 WeakPolarHBondContact O-CB 3.35Å; C450-C525 WeakPolarHBondContact SG-CB 3.27Å; C450-C525 CovalentContact SG-SG 2.03Å; C450-C525 PolarHBondContact SG-SG 3.41Å
451	K	93.1	Very high	91.3	Very high	89 Å²	89	32 Å²	32	39%	0.387	17%	0.171	S	C	.	.	H	α-helix	trans	-63.1	-42.1	174	-65.4	-178.3	-179	-176.6	0	112.2	F448 F455	F448-K451 PolarHBondContact O-N 2.77Å; K451-F455 WeakPolarHBondContact O-CB 3.46Å; K451-F455 PolarHBondContact O-N 3.39Å
452	A	93.6	Very high	91.4	Very high	26 Å²	26	32.4 Å²	32.4	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-43.5	176.3	0	0	0	0	0	111.8	F448 G449 G454 F455 F456	F448-A452 HydrophobicContact CE1-CB 4.15Å; F448-A452 HydrophobicContact CZ-CB 4.4Å; F448-A452 PolarHBondContact O-N 3.36Å; G449-A452 PolarHBondContact O-N 3.36Å; A452-G454 PolarHBondContact O-N 2.95Å; A452-F455 WeakPolarHBondContact O-CB 3.37Å; A452-F455 PolarHBondContact O-N 3.36Å; A452-F456 WeakPolarHBondContact O-CD2 3.23Å; A452-F456 PolarHBondContact O-N 2.77Å
453	A	93.6	Very high	91.6	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-47	174.8	0	0	0	0	0	111.4	Y422 V425 I426 W444 G449 C450 F455 F456 T457 C525	Y422-A453 HydrophobicContact CD2-CB 4.01Å; Y422-A453 VanDerWaalsContact CD2-O 3.25Å; Y422-A453 WeakPolarHBondContact CD2-O 3.38Å; Y422-A453 HydrophobicContact CE2-CB 4.33Å; V425-A453 HydrophobicContact CG1-CB 4.24Å; I426-A453 HydrophobicContact CD1-CB 4.41Å; W444-A453 HydrophobicContact CH2-CB 4.47Å; G449-A453 WeakPolarHBondContact O-CB 3.43Å; G449-A453 PolarHBondContact O-N 3.3Å; C450-A453 PolarHBondContact O-N 3.4Å; A453-F455 VanDerWaalsContact C-N 3.34Å; A453-F455 PolarHBondContact O-N 2.98Å; A453-F456 PolarHBondContact O-N 3.06Å; A453-T457 PolarHBondContact O-N 3.21Å; A453-C525 HydrophobicContact CB-CB 4.22Å
454	G	92.5	Very high	91.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-41.1	175.3	0	0	0	0	0	113.5	C450 A452 T457 V458 Y519 C525	C450-G454 PolarHBondContact O-N 3.2Å; A452-G454 PolarHBondContact O-N 2.95Å; G454-T457 WeakPolarHBondContact O-CG2 3.37Å; G454-V458 WeakPolarHBondContact O-CG2 3.14Å; G454-V458 PolarHBondContact O-N 3.38Å; G454-Y519 WeakPolarHBondContact O-CE1 3.11Å; G454-Y519 VanDerWaalsContact O-CZ 3.32Å; G454-Y519 PolarHBondContact O-OH 3.26Å; G454-C525 WeakPolarHBondContact CA-O 3.33Å
455	F	94.8	Very high	91.3	Very high	45 Å²	45	28.5 Å²	28.5	20%	0.197	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-51.6	173.2	173.5	-88.8	0	0	0	111.5	K451 A452 A453 T457 V458 F459 L506 A509 L510	K451-F455 WeakPolarHBondContact O-CB 3.46Å; K451-F455 PolarHBondContact O-N 3.39Å; A452-F455 WeakPolarHBondContact O-CB 3.37Å; A452-F455 PolarHBondContact O-N 3.36Å; A453-F455 VanDerWaalsContact C-N 3.34Å; A453-F455 PolarHBondContact O-N 2.98Å; F455-T457 PolarHBondContact O-N 3.03Å; F455-V458 PolarHBondContact O-N 3.37Å; F455-F459 HydrophobicContact CE1-CB 4.3Å; F455-F459 HydrophobicContact CE1-CG 4.43Å; F455-F459 HydrophobicContact CZ-CB 4.44Å; F455-F459 HydrophobicContact CZ-CG 4.48Å; F455-F459 WeakPolarHBondContact O-CB 3.49Å; F455-F459 PolarHBondContact O-N 2.9Å; F455-L506 HydrophobicContact CE2-CD1 3.85Å; F455-L506 HydrophobicContact CZ-CD1 3.69Å; F455-A509 HydrophobicContact CD2-CB 3.6Å; F455-A509 HydrophobicContact CE2-CB 3.75Å; F455-A509 HydrophobicContact CG-CB 4.27Å; F455-L510 HydrophobicContact CD2-CD2 4.19Å; F455-L510 HydrophobicContact CE2-CD2 3.89Å; F455-L510 HydrophobicContact CE2-CG 4.06Å
456	F	93.1	Very high	91.3	Very high	67 Å²	67	30.7 Å²	30.7	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-41.3	-177.9	-81.1	-66.1	0	0	0	112.6	C418 A452 A453 A460	C418-F456 HydrophobicContact CB-CD1 4.26Å; A452-F456 WeakPolarHBondContact O-CD2 3.23Å; A452-F456 PolarHBondContact O-N 2.77Å; A453-F456 PolarHBondContact O-N 3.06Å; F456-A460 WeakPolarHBondContact O-CB 3.43Å; F456-A460 PolarHBondContact O-N 3.04Å
457	T	90.8	Very high	91.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-45.9	179.9	-174.5	0	0	0	0	112.2	Y422 A453 G454 F455 S461 L526 Y623	Y422-T457 HydrophobicContact CD2-CG2 4.24Å; Y422-T457 HydrophobicContact CE2-CG2 3.96Å; A453-T457 PolarHBondContact O-N 3.21Å; G454-T457 WeakPolarHBondContact O-CG2 3.37Å; F455-T457 PolarHBondContact O-N 3.03Å; T457-S461 WeakPolarHBondContact O-CB 3.1Å; T457-S461 PolarHBondContact O-N 3.13Å; T457-S461 PolarHBondContact O-OG 3.46Å; T457-S461 VanDerWaalsContact O-OG 3.12Å; T457-L526 HydrophobicContact CG2-CD2 3.81Å; T457-Y623 VanDerWaalsContact OG1-CE1 3.31Å; T457-Y623 WeakPolarHBondContact OG1-CE1 3.36Å; T457-Y623 PolarHBondContact OG1-OH 3.42Å
458	V	91.4	Very high	91.1	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.024	14%	0.135	C	C	.	.	H	α-helix	trans	-69.4	-44.9	179.3	175.5	0	0	0	0	110.7	G454 F455 A460 S461 E462 A508 A509 Y519 P527 L542	G454-V458 WeakPolarHBondContact O-CG2 3.14Å; G454-V458 PolarHBondContact O-N 3.38Å; F455-V458 PolarHBondContact O-N 3.37Å; V458-A460 PolarHBondContact O-N 2.99Å; V458-S461 PolarHBondContact O-N 3.35Å; V458-S461 PolarHBondContact O-OG 3.04Å; V458-E462 HydrophobicContact CG1-CG 4.09Å; V458-E462 WeakPolarHBondContact O-CB 3.49Å; V458-E462 VanDerWaalsContact O-CG 3.25Å; V458-E462 WeakPolarHBondContact O-CG 3.01Å; V458-E462 PolarHBondContact O-N 3.04Å; V458-A508 HydrophobicContact CG1-CB 4.34Å; V458-A509 HydrophobicContact CB-CB 4.18Å; V458-A509 HydrophobicContact CG1-CB 4.13Å; V458-Y519 HydrophobicContact CG2-CE1 3.75Å; V458-Y519 WeakPolarHBondContact CG2-OH 3.29Å; V458-P527 HydrophobicContact CG2-CG 3.86Å; V458-L542 HydrophobicContact CG1-CD1 4.39Å
459	F	94.9	Very high	90.9	Very high	11 Å²	11	19.5 Å²	19.5	5%	0.048	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-47.5	178.5	172.9	-101.5	0	0	0	111.4	F414 F455 L463 W502 A509	F414-F459 AromaticContact CE1-CE1 3.85Å; F414-F459 HydrophobicContact CE1-CE1 3.85Å; F414-F459 HydrophobicContact CE1-CZ 4.14Å; F455-F459 HydrophobicContact CE1-CB 4.3Å; F455-F459 HydrophobicContact CE1-CG 4.43Å; F455-F459 HydrophobicContact CZ-CB 4.44Å; F455-F459 HydrophobicContact CZ-CG 4.48Å; F455-F459 WeakPolarHBondContact O-CB 3.49Å; F455-F459 PolarHBondContact O-N 2.9Å; F459-L463 HydrophobicContact CE1-CD2 4.13Å; F459-L463 HydrophobicContact CE2-CD2 4.4Å; F459-L463 HydrophobicContact CZ-CD2 3.76Å; F459-L463 WeakPolarHBondContact O-CB 3.05Å; F459-L463 PolarHBondContact O-N 2.81Å; F459-L463 VanDerWaalsContact O-N 3.07Å; F459-W502 HydrophobicContact CE2-CE3 4.06Å; F459-W502 HydrophobicContact CE2-CZ3 4.23Å; F459-W502 AromaticContact CZ-CE3 3.78Å; F459-W502 HydrophobicContact CZ-CE3 3.78Å; F459-W502 HydrophobicContact CZ-CH2 4.09Å; F459-W502 AromaticContact CZ-CZ3 3.54Å; F459-W502 HydrophobicContact CZ-CZ3 3.54Å; F459-A509 HydrophobicContact CB-CB 3.77Å
460	A	92.8	Very high	90.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-64.2	-47.4	179.2	0	0	0	0	0	111.9	A415 C418 M419 F456 V458 L463 S464	A415-A460 VanDerWaalsContact O-CB 3.32Å; A415-A460 WeakPolarHBondContact O-CB 3.4Å; C418-A460 HydrophobicContact CB-CB 3.89Å; M419-A460 HydrophobicContact CB-CB 3.93Å; F456-A460 WeakPolarHBondContact O-CB 3.43Å; F456-A460 PolarHBondContact O-N 3.04Å; V458-A460 PolarHBondContact O-N 2.99Å; A460-L463 PolarHBondContact O-N 3.1Å; A460-S464 WeakPolarHBondContact O-CB 3.35Å; A460-S464 PolarHBondContact O-N 2.97Å; A460-S464 PolarHBondContact O-OG 3.34Å
461	S	87.6	Confident	90.3	Very high	14 Å²	14	19.7 Å²	19.7	10%	0.098	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-47.4	-177.6	66.9	0	0	0	0	112.2	T457 V458 L463 S464 V465 Y623	T457-S461 WeakPolarHBondContact O-CB 3.1Å; T457-S461 PolarHBondContact O-N 3.13Å; T457-S461 PolarHBondContact O-OG 3.46Å; T457-S461 VanDerWaalsContact O-OG 3.12Å; V458-S461 PolarHBondContact O-N 3.35Å; V458-S461 PolarHBondContact O-OG 3.04Å; S461-L463 PolarHBondContact O-N 3.01Å; S461-S464 PolarHBondContact O-N 3.1Å; S461-V465 WeakPolarHBondContact O-CG2 3.49Å; S461-V465 PolarHBondContact O-N 3.48Å; S461-Y623 WeakPolarHBondContact CB-OH 3.48Å; S461-Y623 PolarHBondContact OG-OH 3.22Å; S461-Y623 VanDerWaalsContact OG-OH 3.12Å
462	E	90.3	Very high	89.7	Confident	10 Å²	10	15.5 Å²	15.5	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-39.1	-178.7	-65.1	-57.7	132.5	0	0	111.2	V458 F466 F504 A508 L542 N546	V458-E462 HydrophobicContact CG1-CG 4.09Å; V458-E462 WeakPolarHBondContact O-CB 3.49Å; V458-E462 VanDerWaalsContact O-CG 3.25Å; V458-E462 WeakPolarHBondContact O-CG 3.01Å; V458-E462 PolarHBondContact O-N 3.04Å; E462-F466 VanDerWaalsContact O-CB 3.29Å; E462-F466 WeakPolarHBondContact O-CB 3.07Å; E462-F466 PolarHBondContact O-N 3.06Å; E462-F504 HydrophobicContact CB-CE1 4.28Å; E462-F504 WeakPolarHBondContact OE2-CE1 3.39Å; E462-A508 HydrophobicContact CG-CB 4.36Å; E462-L542 HydrophobicContact CG-CD2 4.38Å; E462-N546 PolarHBondContact OE1-ND2 2.93Å
463	L	92.8	Very high	89.2	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.6	-40.4	177.2	-172	62.2	0	0	0	111.6	F414 A415 F459 A460 S461 T467 M498 W502 S505	F414-L463 HydrophobicContact CD1-CD2 4.16Å; F414-L463 HydrophobicContact CE1-CD2 4.43Å; A415-L463 HydrophobicContact CB-CB 4.02Å; A415-L463 HydrophobicContact CB-CD2 4Å; A415-L463 HydrophobicContact CB-CG 4Å; F459-L463 HydrophobicContact CE1-CD2 4.13Å; F459-L463 HydrophobicContact CE2-CD2 4.4Å; F459-L463 HydrophobicContact CZ-CD2 3.76Å; F459-L463 WeakPolarHBondContact O-CB 3.05Å; F459-L463 PolarHBondContact O-N 2.81Å; F459-L463 VanDerWaalsContact O-N 3.07Å; A460-L463 PolarHBondContact O-N 3.1Å; S461-L463 PolarHBondContact O-N 3.01Å; L463-T467 VanDerWaalsContact O-CB 3.26Å; L463-T467 WeakPolarHBondContact O-CB 3.09Å; L463-T467 PolarHBondContact O-N 3.18Å; L463-T467 PolarHBondContact O-OG1 3.27Å; L463-M498 HydrophobicContact CD1-CE 4.08Å; L463-W502 HydrophobicContact CD1-CD2 4.5Å; L463-W502 HydrophobicContact CD1-CG 4.19Å; L463-W502 HydrophobicContact CD2-CD2 4.3Å; L463-W502 HydrophobicContact CD2-CZ2 4.03Å; L463-S505 WeakPolarHBondContact CA-OG 3.17Å; L463-S505 PolarHBondContact N-OG 3.2Å
464	S	89.1	Confident	88.8	Confident	6 Å²	6	17.3 Å²	17.3	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-48.1	176.3	-77.4	0	0	0	0	111.4	A415 D416 A460 S461 F466 T467 L468	A415-S464 WeakPolarHBondContact CB-OG 3.14Å; D416-S464 PolarHBondContact OD1-OG 3.14Å; A460-S464 WeakPolarHBondContact O-CB 3.35Å; A460-S464 PolarHBondContact O-N 2.97Å; A460-S464 PolarHBondContact O-OG 3.34Å; S461-S464 PolarHBondContact O-N 3.1Å; S464-F466 PolarHBondContact O-N 3.45Å; S464-T467 PolarHBondContact O-N 3.46Å; S464-L468 WeakPolarHBondContact O-CB 3.38Å; S464-L468 PolarHBondContact O-N 3.33Å
465	V	85.6	Confident	88.2	Confident	13 Å²	13	21 Å²	21	8%	0.079	10%	0.104	C	C	.	.	H	α-helix	trans	-62.7	-45.3	179.2	173.5	0	0	0	0	111.6	S461 T467 L468 T469 A549 M593	S461-V465 WeakPolarHBondContact O-CG2 3.49Å; S461-V465 PolarHBondContact O-N 3.48Å; V465-T467 PolarHBondContact O-N 3.29Å; V465-L468 PolarHBondContact O-N 3.07Å; V465-T469 WeakPolarHBondContact O-CB 3.25Å; V465-T469 PolarHBondContact O-N 3.02Å; V465-T469 PolarHBondContact O-OG1 3.49Å; V465-A549 HydrophobicContact CG1-CB 3.61Å; V465-M593 HydrophobicContact CG2-CE 3.24Å
466	F	90.3	Very high	87.5	Confident	60 Å²	60	22.8 Å²	22.8	26%	0.263	11%	0.11	S	C	.	.	H	α-helix	trans	-60.9	-46.3	176.3	-174.7	-85.9	0	0	0	111.5	E462 S464 L468 T469 A470 I497 M498 G501	E462-F466 VanDerWaalsContact O-CB 3.29Å; E462-F466 WeakPolarHBondContact O-CB 3.07Å; E462-F466 PolarHBondContact O-N 3.06Å; S464-F466 PolarHBondContact O-N 3.45Å; F466-L468 PolarHBondContact O-N 2.8Å; F466-T469 PolarHBondContact O-N 2.66Å; F466-A470 WeakPolarHBondContact O-CB 3.18Å; F466-A470 PolarHBondContact O-N 3.19Å; F466-I497 HydrophobicContact CE1-CG2 3.86Å; F466-I497 WeakPolarHBondContact CE1-O 3.18Å; F466-I497 HydrophobicContact CZ-CG2 3.99Å; F466-I497 WeakPolarHBondContact CZ-O 3.48Å; F466-M498 HydrophobicContact CE1-SD 4.48Å; F466-G501 VanDerWaalsContact CE1-CA 3.47Å
467	T	90	Very high	87	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-41.7	-179.1	-54.1	0	0	0	0	111.2	L408 H411 L412 L463 S464 V465 A470 I471 M498	L408-T467 HydrophobicContact CB-CG2 4.43Å; L408-T467 VanDerWaalsContact O-CG2 3.24Å; L408-T467 WeakPolarHBondContact O-CG2 3.45Å; H411-T467 HydrophobicContact CB-CG2 4.15Å; L412-T467 HydrophobicContact CB-CG2 3.85Å; L463-T467 VanDerWaalsContact O-CB 3.26Å; L463-T467 WeakPolarHBondContact O-CB 3.09Å; L463-T467 PolarHBondContact O-N 3.18Å; L463-T467 PolarHBondContact O-OG1 3.27Å; S464-T467 PolarHBondContact O-N 3.46Å; V465-T467 PolarHBondContact O-N 3.29Å; T467-A470 WeakPolarHBondContact O-CB 3.36Å; T467-A470 PolarHBondContact O-N 3.29Å; T467-I471 HydrophobicContact CG2-CD1 4.26Å; T467-I471 VanDerWaalsContact O-CG1 3.31Å; T467-I471 WeakPolarHBondContact O-CG1 3.22Å; T467-I471 PolarHBondContact O-N 3.05Å; T467-M498 HydrophobicContact CG2-CE 4.39Å; T467-M498 HydrophobicContact CG2-SD 4.33Å; T467-M498 WeakPolarHBondContact OG1-CE 3.4Å
468	L	83	Confident	86.4	Confident	6 Å²	6	23.9 Å²	23.9	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-46.6	175.9	-175.8	67.9	0	0	0	110.8	S464 V465 F466 A470 I471 T472 L585 D589	S464-L468 WeakPolarHBondContact O-CB 3.38Å; S464-L468 PolarHBondContact O-N 3.33Å; V465-L468 PolarHBondContact O-N 3.07Å; F466-L468 PolarHBondContact O-N 2.8Å; L468-A470 VanDerWaalsContact C-N 3.3Å; L468-A470 PolarHBondContact O-N 3.43Å; L468-I471 WeakPolarHBondContact O-CB 3.13Å; L468-I471 PolarHBondContact O-N 2.73Å; L468-I471 VanDerWaalsContact O-N 3.14Å; L468-T472 WeakPolarHBondContact O-CG2 3.45Å; L468-T472 PolarHBondContact O-N 2.85Å; L468-L585 HydrophobicContact CD1-CD2 3.32Å; L468-D589 HydrophobicContact CD2-CB 3.63Å; L468-D589 WeakPolarHBondContact CD2-OD1 3.42Å; L468-D589 VanDerWaalsContact CD2-OD2 3.29Å; L468-D589 WeakPolarHBondContact CD2-OD2 3Å
469	T	85.8	Confident	85.6	Confident	24 Å²	24	27 Å²	27	15%	0.147	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-44	175.7	-54.2	0	0	0	0	110.7	V465 F466 I471 T472 V473 C552 V553	V465-T469 WeakPolarHBondContact O-CB 3.25Å; V465-T469 PolarHBondContact O-N 3.02Å; V465-T469 PolarHBondContact O-OG1 3.49Å; F466-T469 PolarHBondContact O-N 2.66Å; T469-I471 PolarHBondContact O-N 2.79Å; T469-T472 PolarHBondContact O-N 3.17Å; T469-T472 VanDerWaalsContact O-N 3.15Å; T469-T472 PolarHBondContact O-OG1 2.94Å; T469-V473 HydrophobicContact CG2-CG2 4.49Å; T469-V473 WeakPolarHBondContact O-CG2 3.05Å; T469-V473 PolarHBondContact O-N 3.46Å; T469-C552 HydrophobicContact CG2-CB 4.39Å; T469-V553 HydrophobicContact CG2-CG2 4.42Å
470	A	88.6	Confident	84.5	Confident	15 Å²	15	28.6 Å²	28.6	12%	0.124	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-40.2	176.6	0	0	0	0	0	112.8	L408 F466 T467 L468 T472 V473 E474 I497	L408-A470 HydrophobicContact CD2-CB 4.33Å; F466-A470 WeakPolarHBondContact O-CB 3.18Å; F466-A470 PolarHBondContact O-N 3.19Å; T467-A470 WeakPolarHBondContact O-CB 3.36Å; T467-A470 PolarHBondContact O-N 3.29Å; L468-A470 VanDerWaalsContact C-N 3.3Å; L468-A470 PolarHBondContact O-N 3.43Å; A470-T472 VanDerWaalsContact C-N 3.32Å; A470-T472 PolarHBondContact O-N 3.43Å; A470-V473 PolarHBondContact O-N 3.29Å; A470-E474 VanDerWaalsContact O-CB 3.3Å; A470-E474 WeakPolarHBondContact O-CB 3.32Å; A470-E474 PolarHBondContact O-N 3.04Å; A470-I497 HydrophobicContact CB-CG2 4.28Å
471	I	83	Confident	83.5	Confident	20 Å²	20	30.7 Å²	30.7	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-44.9	173.7	-68.8	165.8	0	0	0	110	L408 L412 T467 L468 T469 E474 R475 M582	L408-I471 HydrophobicContact CB-CD1 4.19Å; L408-I471 HydrophobicContact CB-CG1 3.59Å; L408-I471 HydrophobicContact CD1-CG1 3.93Å; L408-I471 HydrophobicContact CG-CG1 4.37Å; L412-I471 HydrophobicContact CD2-CD1 3.81Å; T467-I471 HydrophobicContact CG2-CD1 4.26Å; T467-I471 VanDerWaalsContact O-CG1 3.31Å; T467-I471 WeakPolarHBondContact O-CG1 3.22Å; T467-I471 PolarHBondContact O-N 3.05Å; L468-I471 WeakPolarHBondContact O-CB 3.13Å; L468-I471 PolarHBondContact O-N 2.73Å; L468-I471 VanDerWaalsContact O-N 3.14Å; T469-I471 PolarHBondContact O-N 2.79Å; I471-E474 PolarHBondContact O-N 3.41Å; I471-R475 HydrophobicContact CG2-CG 4.46Å; I471-R475 WeakPolarHBondContact O-CB 3.32Å; I471-R475 WeakPolarHBondContact O-CG 3.29Å; I471-R475 PolarHBondContact O-N 2.96Å; I471-M582 HydrophobicContact CG2-CE 4.29Å
472	T	79.3	Confident	82.3	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-41.3	-179.1	64.7	0	0	0	0	112.9	L468 T469 A470 R475 W476 V553 Y557 I586	L468-T472 WeakPolarHBondContact O-CG2 3.45Å; L468-T472 PolarHBondContact O-N 2.85Å; T469-T472 PolarHBondContact O-N 3.17Å; T469-T472 VanDerWaalsContact O-N 3.15Å; T469-T472 PolarHBondContact O-OG1 2.94Å; A470-T472 VanDerWaalsContact C-N 3.32Å; A470-T472 PolarHBondContact O-N 3.43Å; T472-R475 PolarHBondContact O-N 3.28Å; T472-W476 WeakPolarHBondContact O-CB 3.26Å; T472-W476 PolarHBondContact O-N 3.16Å; T472-V553 HydrophobicContact CG2-CG1 3.96Å; T472-V553 HydrophobicContact CG2-CG2 4.1Å; T472-Y557 HydrophobicContact CG2-CE2 3.69Å; T472-I586 HydrophobicContact CG2-CD1 3.66Å; T472-I586 HydrophobicContact CG2-CG1 4.21Å
473	V	84.9	Confident	80.8	Confident	51 Å²	51	41.1 Å²	41.1	31%	0.309	22%	0.218	S	C	.	.	H	α-helix	trans	-66.6	-42.3	177.1	171.6	0	0	0	0	110.8	T469 A470 R475 W476 H477	T469-V473 HydrophobicContact CG2-CG2 4.49Å; T469-V473 WeakPolarHBondContact O-CG2 3.05Å; T469-V473 PolarHBondContact O-N 3.46Å; A470-V473 PolarHBondContact O-N 3.29Å; V473-R475 PolarHBondContact O-N 3.08Å; V473-W476 PolarHBondContact O-N 3.42Å; V473-H477 WeakPolarHBondContact O-CB 3.3Å; V473-H477 PolarHBondContact O-N 2.95Å
474	E	85.2	Confident	79.2	Confident	15 Å²	15	48.5 Å²	48.5	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-40.9	175	-176.2	-91.4	162.8	0	0	111.5	V404 L408 A470 I471 H477 T478 L489	V404-E474 HydrophobicContact CG1-CG 3.84Å; L408-E474 HydrophobicContact CD1-CB 4.23Å; A470-E474 VanDerWaalsContact O-CB 3.3Å; A470-E474 WeakPolarHBondContact O-CB 3.32Å; A470-E474 PolarHBondContact O-N 3.04Å; I471-E474 PolarHBondContact O-N 3.41Å; E474-H477 PolarHBondContact O-N 2.78Å; E474-T478 WeakPolarHBondContact O-CB 3.34Å; E474-T478 VanDerWaalsContact O-CG2 3.29Å; E474-T478 WeakPolarHBondContact O-CG2 3.31Å; E474-T478 PolarHBondContact O-N 2.8Å; E474-T478 PolarHBondContact O-OG1 2.69Å; E474-T478 WeakPolarHBondContact OE1-CG2 3.41Å; E474-L489 HydrophobicContact CB-CD1 4.33Å; E474-L489 HydrophobicContact CG-CD1 4.12Å
475	R	79.2	Confident	77.7	Confident	76 Å²	76	54.5 Å²	54.5	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-72.8	-44.4	-178.6	-69.6	-82.1	-167.2	-171.7	5.7	112.1	I471 T472 V473 H477 T478 I479 M582	I471-R475 HydrophobicContact CG2-CG 4.46Å; I471-R475 WeakPolarHBondContact O-CB 3.32Å; I471-R475 WeakPolarHBondContact O-CG 3.29Å; I471-R475 PolarHBondContact O-N 2.96Å; T472-R475 PolarHBondContact O-N 3.28Å; V473-R475 PolarHBondContact O-N 3.08Å; R475-H477 VanDerWaalsContact C-N 3.34Å; R475-H477 PolarHBondContact O-N 3.42Å; R475-T478 WeakPolarHBondContact CA-OG1 3.4Å; R475-T478 PolarHBondContact O-N 3.09Å; R475-T478 PolarHBondContact O-OG1 2.88Å; R475-T478 VanDerWaalsContact O-OG1 3.06Å; R475-I479 WeakPolarHBondContact O-CB 3.22Å; R475-I479 WeakPolarHBondContact O-CD1 3.07Å; R475-I479 WeakPolarHBondContact O-CG1 3.28Å; R475-I479 PolarHBondContact O-N 3.11Å; R475-M582 HydrophobicContact CB-CE 3.63Å; R475-M582 HydrophobicContact CB-SD 4.06Å; R475-M582 HydrophobicContact CG-CE 3.24Å; R475-M582 HydrophobicContact CG-SD 3.87Å
476	W	80.4	Confident	76.4	Confident	84 Å²	84	61.5 Å²	61.5	32%	0.318	31%	0.314	S	S	.	.	H	α-helix	trans	-57.5	-48.6	171.3	168.7	71.4	0	0	0	111.2	T472 V473 T478 I479 T480 C556 S559 I560	T472-W476 WeakPolarHBondContact O-CB 3.26Å; T472-W476 PolarHBondContact O-N 3.16Å; V473-W476 PolarHBondContact O-N 3.42Å; W476-T478 PolarHBondContact O-N 3.14Å; W476-I479 PolarHBondContact O-N 2.92Å; W476-T480 HydrophobicContact CG-CG2 4.45Å; W476-T480 WeakPolarHBondContact O-CB 3.23Å; W476-T480 WeakPolarHBondContact O-CG2 3.49Å; W476-T480 PolarHBondContact O-N 3.2Å; W476-T480 PolarHBondContact O-OG1 2.98Å; W476-C556 HydrophobicContact CB-CB 3.9Å; W476-C556 HydrophobicContact CG-CB 4.09Å; W476-S559 VanDerWaalsContact NE1-CB 3.25Å; W476-S559 PolarHBondContact NE1-OG 3.48Å; W476-I560 HydrophobicContact CB-CD1 4.07Å; W476-I560 HydrophobicContact CB-CG1 4.18Å; W476-I560 HydrophobicContact CG-CG1 4.47Å
477	H	82.6	Confident	75.3	Confident	42 Å²	42	65.9 Å²	65.9	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-42.8	-179.5	-178.2	-73.3	0	0	0	112.2	V473 E474 R475 T480 N481 R487 L489	V473-H477 WeakPolarHBondContact O-CB 3.3Å; V473-H477 PolarHBondContact O-N 2.95Å; E474-H477 PolarHBondContact O-N 2.78Å; R475-H477 VanDerWaalsContact C-N 3.34Å; R475-H477 PolarHBondContact O-N 3.42Å; H477-T480 PolarHBondContact O-OG1 3.08Å; H477-N481 PolarHBondContact CD2-ND2 3.46Å; H477-N481 PolarHBondContact CE1-ND2 3.3Å; H477-N481 PolarHBondContact NE2-ND2 3.48Å; H477-N481 VanDerWaalsContact NE2-ND2 3.15Å; H477-N481 VanDerWaalsContact O-CB 3.25Å; H477-N481 WeakPolarHBondContact O-CB 3.29Å; H477-N481 PolarHBondContact O-N 3.49Å; H477-N481 VanDerWaalsContact O-N 3.07Å; H477-N481 PolarHBondContact O-ND2 2.81Å; H477-R487 PolarHBondContact CE1-O 3.03Å; H477-L489 HydrophobicContact CB-CD1 3.86Å
478	T	77.8	Confident	74.4	Confident	47 Å²	47	72.6 Å²	72.6	29%	0.288	36%	0.358	S	S	.	.	H	α-helix	trans	-69.4	-37.2	179.6	47.7	0	0	0	0	113	E474 R475 W476 A482	E474-T478 WeakPolarHBondContact O-CB 3.34Å; E474-T478 VanDerWaalsContact O-CG2 3.29Å; E474-T478 WeakPolarHBondContact O-CG2 3.31Å; E474-T478 PolarHBondContact O-N 2.8Å; E474-T478 PolarHBondContact O-OG1 2.69Å; E474-T478 WeakPolarHBondContact OE1-CG2 3.41Å; R475-T478 WeakPolarHBondContact CA-OG1 3.4Å; R475-T478 PolarHBondContact O-N 3.09Å; R475-T478 PolarHBondContact O-OG1 2.88Å; R475-T478 VanDerWaalsContact O-OG1 3.06Å; W476-T478 PolarHBondContact O-N 3.14Å; T478-A482 WeakPolarHBondContact O-CA 3.18Å; T478-A482 PolarHBondContact O-N 2.82Å
479	I	73.6	Confident	74.1	Confident	71 Å²	71	74.5 Å²	74.5	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-73.2	-48.2	178.9	-66.4	166.7	0	0	0	110.8	R475 W476 A482 I560	R475-I479 WeakPolarHBondContact O-CB 3.22Å; R475-I479 WeakPolarHBondContact O-CD1 3.07Å; R475-I479 WeakPolarHBondContact O-CG1 3.28Å; R475-I479 PolarHBondContact O-N 3.11Å; W476-I479 PolarHBondContact O-N 2.92Å; I479-A482 WeakPolarHBondContact O-CB 3.47Å; I479-A482 PolarHBondContact O-N 2.69Å; I479-I560 HydrophobicContact CD1-CD1 4.19Å; I479-I560 HydrophobicContact CD1-CG1 4.48Å; I479-I560 HydrophobicContact CD1-CG2 4.26Å; I479-I560 HydrophobicContact CG2-CG2 4.41Å
480	T	73.1	Confident	74.1	Confident	43 Å²	43	81.5 Å²	81.5	26%	0.264	39%	0.391	S	S	.	.	H	α-helix	trans	-69	-34.9	-178.1	53	0	0	0	0	112.9	W476 H477	W476-T480 HydrophobicContact CG-CG2 4.45Å; W476-T480 WeakPolarHBondContact O-CB 3.23Å; W476-T480 WeakPolarHBondContact O-CG2 3.49Å; W476-T480 PolarHBondContact O-N 3.2Å; W476-T480 PolarHBondContact O-OG1 2.98Å; H477-T480 PolarHBondContact O-OG1 3.08Å
481	N	71	Confident	74	Confident	45 Å²	45	84 Å²	84	24%	0.241	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	18.6	179	-62.3	-52.2	0	0	0	113.5	H477 M483 R484	H477-N481 PolarHBondContact CD2-ND2 3.46Å; H477-N481 PolarHBondContact CE1-ND2 3.3Å; H477-N481 PolarHBondContact NE2-ND2 3.48Å; H477-N481 VanDerWaalsContact NE2-ND2 3.15Å; H477-N481 VanDerWaalsContact O-CB 3.25Å; H477-N481 WeakPolarHBondContact O-CB 3.29Å; H477-N481 PolarHBondContact O-N 3.49Å; H477-N481 VanDerWaalsContact O-N 3.07Å; H477-N481 PolarHBondContact O-ND2 2.81Å; N481-M483 PolarHBondContact O-N 3.14Å; N481-R484 PolarHBondContact O-N 2.59Å
482	A	63.7	Low	74.3	Confident	72 Å²	72	93.1 Å²	93.1	60%	0.595	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.7	-176.1	0	0	0	0	0	114	T478 I479	T478-A482 WeakPolarHBondContact O-CA 3.18Å; T478-A482 PolarHBondContact O-N 2.82Å; I479-A482 WeakPolarHBondContact O-CB 3.47Å; I479-A482 PolarHBondContact O-N 2.69Å
483	M	57	Low	74.8	Confident	171 Å²	171	97.6 Å²	97.6	84%	0.842	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.2	-178.3	-65.1	-88.6	-77.1	0	0	114.7	N481	N481-M483 PolarHBondContact O-N 3.14Å
484	R	60.1	Low	75	Confident	155 Å²	155	95.4 Å²	95.4	59%	0.585	44%	0.443	S	S	*	.			trans	-116.9	91.4	179.2	-68.9	-175.8	-175.2	-175.5	2.4	110.9	N481 D486 R487	N481-R484 PolarHBondContact O-N 2.59Å; R484-D486 PolarHBondContact O-N 2.73Å; R484-D486 VanDerWaalsContact O-N 3.15Å; R484-R487 PolarHBondContact O-N 3.35Å
485	L	57.4	Low	75.4	Confident	133 Å²	133	97.6 Å²	97.6	70%	0.696	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27.8	-177.3	-88.3	84	0	0	0	113.8	R487	L485-R487 VanDerWaalsContact C-N 3.3Å; L485-R487 PolarHBondContact O-N 3.23Å
486	D	59	Low	76	Confident	160 Å²	160	99.3 Å²	99.3	86%	0.856	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-72.1	-18.7	-177.1	-57.5	-44.3	0	0	0	114.4	R484	R484-D486 PolarHBondContact O-N 2.73Å; R484-D486 VanDerWaalsContact O-N 3.15Å
487	R	65.6	Low	76.6	Confident	151 Å²	151	98.6 Å²	98.6	57%	0.57	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-99.5	8.2	-177.2	-74.3	-171.9	169.7	-177.7	-5	114.2	H477 R484 L485 L489	H477-R487 PolarHBondContact CE1-O 3.03Å; R484-R487 PolarHBondContact O-N 3.35Å; L485-R487 VanDerWaalsContact C-N 3.3Å; L485-R487 PolarHBondContact O-N 3.23Å; R487-L489 PolarHBondContact O-N 3.38Å
488	K	72.1	Confident	77.2	Confident	141 Å²	141	96.8 Å²	96.8	61%	0.613	47%	0.466	S	S	*	.			trans	-57.9	129.3	-177.6	-96.5	-179.9	175.4	173.5	0	112.8	R490	K488-R490 PolarHBondContact O-N 2.98Å; K488-R490 VanDerWaalsContact O-N 3.11Å
489	L	77.1	Confident	78.1	Confident	46 Å²	46	98.3 Å²	98.3	24%	0.241	48%	0.476	C	S	.	.			trans	-60.4	112.6	169.9	-91.2	160	0	0	0	109.8	E474 H477 R487 H493	E474-L489 HydrophobicContact CB-CD1 4.33Å; E474-L489 HydrophobicContact CG-CD1 4.12Å; H477-L489 HydrophobicContact CB-CD1 3.86Å; R487-L489 PolarHBondContact O-N 3.38Å; L489-H493 HydrophobicContact CD2-CB 3.93Å
490	R	85.4	Confident	79.1	Confident	171 Å²	171	98.5 Å²	98.5	65%	0.645	48%	0.481	S	S	*	.			trans	-91	157.9	175.5	-57.6	-174.5	-173.2	-165.6	2	111	K488 R492 H493 A494	K488-R490 PolarHBondContact O-N 2.98Å; K488-R490 VanDerWaalsContact O-N 3.11Å; R490-R492 PolarHBondContact O-N 2.66Å; R490-R492 VanDerWaalsContact O-N 3.12Å; R490-H493 PolarHBondContact O-N 3.31Å; R490-A494 PolarHBondContact O-N 2.86Å
491	L	86.9	Confident	80.1	Confident	68 Å²	68	96.5 Å²	96.5	36%	0.356	47%	0.468	S	S	.	.	H	α-helix	trans	-53.7	-33.6	177.9	-168.7	68.7	0	0	0	113.5	L402 F407 H493 A494 C495	L402-L491 HydrophobicContact CD2-CD2 4.34Å; F407-L491 HydrophobicContact CB-CD1 3.77Å; F407-L491 HydrophobicContact CD1-CD1 4.14Å; F407-L491 HydrophobicContact CD2-CD1 4.19Å; F407-L491 HydrophobicContact CG-CD1 3.77Å; L491-H493 VanDerWaalsContact C-N 3.34Å; L491-H493 PolarHBondContact O-N 3.06Å; L491-A494 PolarHBondContact O-N 3.13Å; L491-C495 WeakPolarHBondContact O-CB 3.32Å; L491-C495 PolarHBondContact O-N 3.34Å
492	R	88.4	Confident	81.4	Confident	211 Å²	211	98.4 Å²	98.4	80%	0.796	47%	0.472	S	S	*	.	H	α-helix	trans	-58.1	-43.6	175.7	-65.7	-175.3	-177.1	177	-0.3	112.5	R490 C495 I496	R490-R492 PolarHBondContact O-N 2.66Å; R490-R492 VanDerWaalsContact O-N 3.12Å; R492-C495 PolarHBondContact O-N 3.42Å; R492-I496 WeakPolarHBondContact O-CG1 3.49Å; R492-I496 PolarHBondContact O-N 3.41Å
493	H	89.4	Confident	82.9	Confident	97 Å²	97	98.4 Å²	98.4	45%	0.449	47%	0.468	S	S	.	.	H	α-helix	trans	-67.7	-42.2	177.9	-57.2	103.3	0	0	0	111.1	L489 R490 L491 C495 I496 I497	L489-H493 HydrophobicContact CD2-CB 3.93Å; R490-H493 PolarHBondContact O-N 3.31Å; L491-H493 VanDerWaalsContact C-N 3.34Å; L491-H493 PolarHBondContact O-N 3.06Å; H493-C495 VanDerWaalsContact C-N 3.3Å; H493-C495 PolarHBondContact O-N 3.32Å; H493-I496 PolarHBondContact O-N 3.03Å; H493-I497 WeakPolarHBondContact O-CG1 3.41Å; H493-I497 PolarHBondContact O-N 3.17Å
494	A	89.4	Confident	84.8	Confident	4 Å²	4	93.1 Å²	93.1	3%	0.033	44%	0.44	C	S	.	.	H	α-helix	trans	-62.1	-37.8	176.4	0	0	0	0	0	112.3	V404 F407 R490 L491 I497 M498	V404-A494 HydrophobicContact CG1-CB 3.62Å; V404-A494 HydrophobicContact CG2-CB 4.32Å; F407-A494 HydrophobicContact CD1-CB 4.05Å; F407-A494 HydrophobicContact CE1-CB 4.16Å; R490-A494 PolarHBondContact O-N 2.86Å; L491-A494 PolarHBondContact O-N 3.13Å; A494-I497 PolarHBondContact O-N 3.21Å; A494-M498 WeakPolarHBondContact O-CB 3.4Å; A494-M498 WeakPolarHBondContact O-CG 3.47Å; A494-M498 PolarHBondContact O-N 3.35Å
495	C	93.1	Very high	86.5	Confident	62 Å²	62	85.7 Å²	85.7	42%	0.419	41%	0.412	S	S	.	.	H	α-helix	trans	-62.8	-43.6	175.3	-168.6	0	0	0	0	112	L491 R492 H493 M498 T499	L491-C495 WeakPolarHBondContact O-CB 3.32Å; L491-C495 PolarHBondContact O-N 3.34Å; R492-C495 PolarHBondContact O-N 3.42Å; H493-C495 VanDerWaalsContact C-N 3.3Å; H493-C495 PolarHBondContact O-N 3.32Å; C495-M498 PolarHBondContact O-N 3Å; C495-T499 WeakPolarHBondContact O-CB 3.16Å; C495-T499 PolarHBondContact O-N 3.45Å; C495-T499 PolarHBondContact O-OG1 3.29Å
496	I	93.3	Very high	88.4	Confident	111 Å²	111	83 Å²	83	57%	0.569	40%	0.398	S	S	*	.	H	α-helix	trans	-62.4	-49.5	176.3	-65.5	166.2	0	0	0	110.1	R492 H493 M498 T499 T500	R492-I496 WeakPolarHBondContact O-CG1 3.49Å; R492-I496 PolarHBondContact O-N 3.41Å; H493-I496 PolarHBondContact O-N 3.03Å; I496-M498 VanDerWaalsContact C-N 3.34Å; I496-M498 PolarHBondContact O-N 2.89Å; I496-T499 PolarHBondContact O-N 2.76Å; I496-T499 VanDerWaalsContact O-N 3.17Å; I496-T500 PolarHBondContact O-N 3.31Å; I496-T500 VanDerWaalsContact O-N 3.09Å
497	I	93.4	Very high	90.1	Very high	70 Å²	70	80.3 Å²	80.3	36%	0.359	38%	0.383	S	S	.	.	H	α-helix	trans	-56.3	-48.5	177.9	-67.6	166	0	0	0	110.4	F466 A470 H493 A494 T499 T500 G501	F466-I497 HydrophobicContact CE1-CG2 3.86Å; F466-I497 WeakPolarHBondContact CE1-O 3.18Å; F466-I497 HydrophobicContact CZ-CG2 3.99Å; F466-I497 WeakPolarHBondContact CZ-O 3.48Å; A470-I497 HydrophobicContact CB-CG2 4.28Å; H493-I497 WeakPolarHBondContact O-CG1 3.41Å; H493-I497 PolarHBondContact O-N 3.17Å; A494-I497 PolarHBondContact O-N 3.21Å; I497-T499 PolarHBondContact O-N 3.09Å; I497-T500 PolarHBondContact O-N 2.04Å; I497-T500 PolarHBondContact O-OG1 3.18Å; I497-G501 PolarHBondContact O-N 3.17Å; I497-G501 VanDerWaalsContact O-N 3.08Å
498	M	95.2	Very high	91.5	Very high	3 Å²	3	73.4 Å²	73.4	2%	0.015	36%	0.358	C	S	.	.	H	α-helix	trans	-65.7	-37.5	179.3	-72.7	-52	-50.9	0	0	112.6	F407 L408 H411 L463 F466 T467 A494 C495 I496 T500 G501 W502	F407-M498 HydrophobicContact CD1-CG 4.45Å; F407-M498 HydrophobicContact CE1-CB 4.1Å; F407-M498 HydrophobicContact CE1-CG 3.6Å; F407-M498 HydrophobicContact CZ-CB 4.32Å; F407-M498 HydrophobicContact CZ-CG 4.24Å; L408-M498 HydrophobicContact CD2-CG 3.71Å; L408-M498 HydrophobicContact CD2-SD 3.57Å; L408-M498 VanDerWaalsContact CD2-SD 3.57Å; H411-M498 HydrophobicContact CB-CE 3.67Å; L463-M498 HydrophobicContact CD1-CE 4.08Å; F466-M498 HydrophobicContact CE1-SD 4.48Å; T467-M498 HydrophobicContact CG2-CE 4.39Å; T467-M498 HydrophobicContact CG2-SD 4.33Å; T467-M498 WeakPolarHBondContact OG1-CE 3.4Å; A494-M498 WeakPolarHBondContact O-CB 3.4Å; A494-M498 WeakPolarHBondContact O-CG 3.47Å; A494-M498 PolarHBondContact O-N 3.35Å; C495-M498 PolarHBondContact O-N 3Å; I496-M498 VanDerWaalsContact C-N 3.34Å; I496-M498 PolarHBondContact O-N 2.89Å; M498-T500 VanDerWaalsContact C-N 3.25Å; M498-T500 PolarHBondContact O-N 3.13Å; M498-G501 PolarHBondContact O-N 2.8Å; M498-G501 VanDerWaalsContact O-N 3.13Å; M498-W502 PolarHBondContact O-N 2.68Å
499	T	95.4	Very high	92.6	Very high	79 Å²	79	66.7 Å²	66.7	49%	0.485	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-38.4	176.2	-53.9	0	0	0	0	111.3	C495 I496 I497 S503	C495-T499 WeakPolarHBondContact O-CB 3.16Å; C495-T499 PolarHBondContact O-N 3.45Å; C495-T499 PolarHBondContact O-OG1 3.29Å; I496-T499 PolarHBondContact O-N 2.76Å; I496-T499 VanDerWaalsContact O-N 3.17Å; I497-T499 PolarHBondContact O-N 3.09Å; T499-S503 WeakPolarHBondContact O-CB 3.4Å; T499-S503 PolarHBondContact O-N 3.47Å; T499-S503 PolarHBondContact O-OG 3.19Å
500	T	94.4	Very high	93.4	Very high	76 Å²	76	67.9 Å²	67.9	47%	0.466	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-43.4	174.1	62.4	0	0	0	0	112.1	I496 I497 M498 S503 F504	I496-T500 PolarHBondContact O-N 3.31Å; I496-T500 VanDerWaalsContact O-N 3.09Å; I497-T500 PolarHBondContact O-N 2.04Å; I497-T500 PolarHBondContact O-OG1 3.18Å; M498-T500 VanDerWaalsContact C-N 3.25Å; M498-T500 PolarHBondContact O-N 3.13Å; T500-S503 PolarHBondContact O-N 3.29Å; T500-F504 WeakPolarHBondContact O-CB 3.12Å; T500-F504 PolarHBondContact O-N 3.31Å
501	G	94.9	Very high	93.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-48.5	175.5	0	0	0	0	0	112.4	F466 I497 M498 S503 F504 S505	F466-G501 VanDerWaalsContact CE1-CA 3.47Å; I497-G501 PolarHBondContact O-N 3.17Å; I497-G501 VanDerWaalsContact O-N 3.08Å; M498-G501 PolarHBondContact O-N 2.8Å; M498-G501 VanDerWaalsContact O-N 3.13Å; G501-S503 PolarHBondContact O-N 2.82Å; G501-F504 PolarHBondContact O-N 3.28Å; G501-S505 PolarHBondContact O-N 2.92Å; G501-S505 PolarHBondContact O-OG 2.8Å
502	W	97.3	Very high	94.1	Very high	86 Å²	86	59.3 Å²	59.3	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-46	176.4	-88.3	81.9	0	0	0	112.8	H411 F414 F459 L463 M498 F504 S505 L506	H411-W502 AromaticContact CE1-NE1 3.62Å; H411-W502 AromaticContact ND1-CE2 3.92Å; H411-W502 AromaticContact ND1-CZ2 3.95Å; H411-W502 AromaticContact ND1-NE1 3.28Å; H411-W502 PolarHBondContact ND1-NE1 2.99Å; F414-W502 AromaticContact CD1-CH2 3.71Å; F414-W502 HydrophobicContact CD1-CH2 3.71Å; F414-W502 AromaticContact CD1-CZ2 3.67Å; F414-W502 HydrophobicContact CD1-CZ2 3.67Å; F414-W502 AromaticContact CE1-CH2 3.13Å; F414-W502 HydrophobicContact CE1-CH2 3.13Å; F414-W502 AromaticContact CE1-CZ2 3.62Å; F414-W502 HydrophobicContact CE1-CZ2 3.62Å; F414-W502 HydrophobicContact CE1-CZ3 4.02Å; F414-W502 AromaticContact CZ-CH2 3.68Å; F414-W502 HydrophobicContact CZ-CH2 3.68Å; F414-W502 HydrophobicContact CZ-CZ2 4.45Å; F459-W502 HydrophobicContact CE2-CE3 4.06Å; F459-W502 HydrophobicContact CE2-CZ3 4.23Å; F459-W502 AromaticContact CZ-CE3 3.78Å; F459-W502 HydrophobicContact CZ-CE3 3.78Å; F459-W502 HydrophobicContact CZ-CH2 4.09Å; F459-W502 AromaticContact CZ-CZ3 3.54Å; F459-W502 HydrophobicContact CZ-CZ3 3.54Å; L463-W502 HydrophobicContact CD1-CD2 4.5Å; L463-W502 HydrophobicContact CD1-CG 4.19Å; L463-W502 HydrophobicContact CD2-CD2 4.3Å; L463-W502 HydrophobicContact CD2-CZ2 4.03Å; M498-W502 PolarHBondContact O-N 2.68Å; W502-F504 VanDerWaalsContact C-N 3.31Å; W502-F504 PolarHBondContact O-N 3.02Å; W502-S505 PolarHBondContact O-N 3.37Å; W502-L506 WeakPolarHBondContact O-CB 3.46Å; W502-L506 PolarHBondContact O-N 2.63Å
503	S	97.1	Very high	94.1	Very high	71 Å²	71	51.9 Å²	51.9	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-42.1	179.1	-56.4	0	0	0	0	111.1	T499 T500 G501 L507	T499-S503 WeakPolarHBondContact O-CB 3.4Å; T499-S503 PolarHBondContact O-N 3.47Å; T499-S503 PolarHBondContact O-OG 3.19Å; T500-S503 PolarHBondContact O-N 3.29Å; G501-S503 PolarHBondContact O-N 2.82Å; S503-L507 WeakPolarHBondContact O-CB 3.34Å; S503-L507 PolarHBondContact O-N 3.21Å
504	F	95.7	Very high	94.1	Very high	60 Å²	60	52.4 Å²	52.4	26%	0.263	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-52.5	176.3	169.2	-99.3	0	0	0	112.2	E462 T500 G501 W502 L506 L507 A508 F541 L545	E462-F504 HydrophobicContact CB-CE1 4.28Å; E462-F504 WeakPolarHBondContact OE2-CE1 3.39Å; T500-F504 WeakPolarHBondContact O-CB 3.12Å; T500-F504 PolarHBondContact O-N 3.31Å; G501-F504 PolarHBondContact O-N 3.28Å; W502-F504 VanDerWaalsContact C-N 3.31Å; W502-F504 PolarHBondContact O-N 3.02Å; F504-L506 VanDerWaalsContact C-N 3.29Å; F504-L506 PolarHBondContact O-N 3.45Å; F504-L507 PolarHBondContact O-N 2.79Å; F504-A508 HydrophobicContact CZ-CB 4.38Å; F504-A508 WeakPolarHBondContact O-CB 3.5Å; F504-A508 PolarHBondContact O-N 3.46Å; F504-F541 HydrophobicContact CE2-CE1 4.19Å; F504-L545 HydrophobicContact CE1-CD1 4.23Å; F504-L545 HydrophobicContact CE2-CD1 3.7Å; F504-L545 HydrophobicContact CZ-CD1 3.26Å
505	S	96.3	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-37.7	-178.9	-55.1	0	0	0	0	112	L463 G501 W502 A509	L463-S505 WeakPolarHBondContact CA-OG 3.17Å; L463-S505 PolarHBondContact N-OG 3.2Å; G501-S505 PolarHBondContact O-N 2.92Å; G501-S505 PolarHBondContact O-OG 2.8Å; W502-S505 PolarHBondContact O-N 3.37Å; S505-A509 WeakPolarHBondContact O-CB 3.33Å; S505-A509 PolarHBondContact O-N 3.11Å
506	L	96.6	Very high	93.6	Very high	77 Å²	77	54.4 Å²	54.4	40%	0.403	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-47.2	175	-176.7	64.5	0	0	0	111.2	F455 W502 F504 A509 L510	F455-L506 HydrophobicContact CE2-CD1 3.85Å; F455-L506 HydrophobicContact CZ-CD1 3.69Å; W502-L506 WeakPolarHBondContact O-CB 3.46Å; W502-L506 PolarHBondContact O-N 2.63Å; F504-L506 VanDerWaalsContact C-N 3.29Å; F504-L506 PolarHBondContact O-N 3.45Å; L506-A509 PolarHBondContact O-N 3.09Å; L506-L510 HydrophobicContact CD1-CD1 4.08Å; L506-L510 HydrophobicContact CD1-CG 4.32Å; L506-L510 HydrophobicContact CG-CD1 3.89Å; L506-L510 HydrophobicContact CG-CG 4.49Å; L506-L510 WeakPolarHBondContact O-CB 3.33Å; L506-L510 VanDerWaalsContact O-CG 3.26Å; L506-L510 WeakPolarHBondContact O-CG 3.4Å; L506-L510 PolarHBondContact O-N 2.94Å
507	L	95.6	Very high	93.4	Very high	103 Å²	103	49.4 Å²	49.4	54%	0.539	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-47.8	176.5	-179.8	61.4	0	0	0	111	S503 F504 A509 L510 L511	S503-L507 WeakPolarHBondContact O-CB 3.34Å; S503-L507 PolarHBondContact O-N 3.21Å; F504-L507 PolarHBondContact O-N 2.79Å; L507-A509 VanDerWaalsContact C-N 3.29Å; L507-A509 PolarHBondContact O-N 3.08Å; L507-L510 PolarHBondContact O-N 2.74Å; L507-L510 VanDerWaalsContact O-N 3.16Å; L507-L511 HydrophobicContact CD1-CD2 4.47Å; L507-L511 HydrophobicContact CD1-CG 4.37Å; L507-L511 HydrophobicContact CG-CD1 4.41Å; L507-L511 VanDerWaalsContact O-CG 3.3Å; L507-L511 WeakPolarHBondContact O-CG 3.39Å; L507-L511 PolarHBondContact O-N 2.04Å; L507-L511 VanDerWaalsContact O-N 3.09Å
508	A	94.4	Very high	93.2	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-55.9	-42.3	178.7	0	0	0	0	0	112.3	V458 E462 F504 P512 Y538 L542	V458-A508 HydrophobicContact CG1-CB 4.34Å; E462-A508 HydrophobicContact CG-CB 4.36Å; F504-A508 HydrophobicContact CZ-CB 4.38Å; F504-A508 WeakPolarHBondContact O-CB 3.5Å; F504-A508 PolarHBondContact O-N 3.46Å; A508-P512 WeakPolarHBondContact O-CD 3.35Å; A508-Y538 PolarHBondContact O-OH 2.61Å; A508-L542 HydrophobicContact CB-CD2 4.04Å
509	A	95.4	Very high	93	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-77.1	-26	179	0	0	0	0	0	114.1	F455 V458 F459 S505 L506 L507 Y519	F455-A509 HydrophobicContact CD2-CB 3.6Å; F455-A509 HydrophobicContact CE2-CB 3.75Å; F455-A509 HydrophobicContact CG-CB 4.27Å; V458-A509 HydrophobicContact CB-CB 4.18Å; V458-A509 HydrophobicContact CG1-CB 4.13Å; F459-A509 HydrophobicContact CB-CB 3.77Å; S505-A509 WeakPolarHBondContact O-CB 3.33Å; S505-A509 PolarHBondContact O-N 3.11Å; L506-A509 PolarHBondContact O-N 3.09Å; L507-A509 VanDerWaalsContact C-N 3.29Å; L507-A509 PolarHBondContact O-N 3.08Å; A509-Y519 PolarHBondContact O-OH 2.91Å
510	L	94.8	Very high	92.6	Very high	71 Å²	71	45 Å²	45	37%	0.372	27%	0.266	S	S	.	.	H	α-helix	trans	-79.8	-30.6	177.5	-73.5	172.7	0	0	0	112.7	F455 L506 L507 T513 V514	F455-L510 HydrophobicContact CD2-CD2 4.19Å; F455-L510 HydrophobicContact CE2-CD2 3.89Å; F455-L510 HydrophobicContact CE2-CG 4.06Å; L506-L510 HydrophobicContact CD1-CD1 4.08Å; L506-L510 HydrophobicContact CD1-CG 4.32Å; L506-L510 HydrophobicContact CG-CD1 3.89Å; L506-L510 HydrophobicContact CG-CG 4.49Å; L506-L510 WeakPolarHBondContact O-CB 3.33Å; L506-L510 VanDerWaalsContact O-CG 3.26Å; L506-L510 WeakPolarHBondContact O-CG 3.4Å; L506-L510 PolarHBondContact O-N 2.94Å; L507-L510 PolarHBondContact O-N 2.74Å; L507-L510 VanDerWaalsContact O-N 3.16Å; L510-T513 WeakPolarHBondContact O-CA 3.32Å; L510-T513 WeakPolarHBondContact O-CB 3.48Å; L510-T513 PolarHBondContact O-N 2.79Å; L510-T513 PolarHBondContact O-OG1 3.3Å; L510-V514 PolarHBondContact O-N 3.29Å
511	L	93.1	Very high	91.9	Very high	51 Å²	51	44.5 Å²	44.5	27%	0.267	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-44	-175.7	-76.1	168	0	0	0	114.3	L507 T513 V514 G515 V516 Y538	L507-L511 HydrophobicContact CD1-CD2 4.47Å; L507-L511 HydrophobicContact CD1-CG 4.37Å; L507-L511 HydrophobicContact CG-CD1 4.41Å; L507-L511 VanDerWaalsContact O-CG 3.3Å; L507-L511 WeakPolarHBondContact O-CG 3.39Å; L507-L511 PolarHBondContact O-N 2.04Å; L507-L511 VanDerWaalsContact O-N 3.09Å; L511-T513 VanDerWaalsContact C-N 3.27Å; L511-T513 PolarHBondContact O-N 3.44Å; L511-V514 WeakPolarHBondContact O-CG2 3.29Å; L511-V514 PolarHBondContact O-N 2.78Å; L511-G515 PolarHBondContact O-N 3.2Å; L511-V516 HydrophobicContact CB-CB 4.2Å; L511-V516 HydrophobicContact CB-CG2 4.49Å; L511-V516 HydrophobicContact CD2-CB 4.38Å; L511-V516 HydrophobicContact CD2-CG2 3.85Å; L511-V516 WeakPolarHBondContact O-CB 3.09Å; L511-V516 PolarHBondContact O-N 3.19Å; L511-V516 VanDerWaalsContact O-N 3.13Å; L511-Y538 HydrophobicContact CB-CD2 4.25Å; L511-Y538 HydrophobicContact CB-CE2 3.81Å; L511-Y538 HydrophobicContact CD1-CD2 4.1Å; L511-Y538 HydrophobicContact CD1-CE2 3.93Å
512	P	92.1	Very high	91.2	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.052	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.9	176.2	-20.4	35	0	0	0	113.7	A508 S517 Y519 P527 Y538	A508-P512 WeakPolarHBondContact O-CD 3.35Å; P512-S517 WeakPolarHBondContact CA-O 3.41Å; P512-Y519 HydrophobicContact CB-CD1 4.17Å; P512-Y519 HydrophobicContact CB-CD2 3.91Å; P512-Y519 HydrophobicContact CB-CE1 3.88Å; P512-Y519 HydrophobicContact CB-CE2 3.61Å; P512-Y519 HydrophobicContact CB-CG 4.18Å; P512-Y519 HydrophobicContact CG-CE1 3.82Å; P512-Y519 HydrophobicContact CG-CE2 4Å; P512-Y519 WeakPolarHBondContact CG-OH 3.22Å; P512-P527 HydrophobicContact CG-CB 4.19Å; P512-Y538 WeakPolarHBondContact CD-OH 3.32Å; P512-Y538 HydrophobicContact CG-CE1 3.73Å; P512-Y538 HydrophobicContact CG-CE2 4.31Å; P512-Y538 VanDerWaalsContact CG-CZ 3.48Å; P512-Y538 WeakPolarHBondContact CG-OH 3.29Å
513	T	89.5	Confident	90.5	Very high	56 Å²	56	41 Å²	41	34%	0.344	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-27.8	176.9	72.7	0	0	0	0	112.7	L510 L511 Y519	L510-T513 WeakPolarHBondContact O-CA 3.32Å; L510-T513 WeakPolarHBondContact O-CB 3.48Å; L510-T513 PolarHBondContact O-N 2.79Å; L510-T513 PolarHBondContact O-OG1 3.3Å; L511-T513 VanDerWaalsContact C-N 3.27Å; L511-T513 PolarHBondContact O-N 3.44Å; T513-Y519 HydrophobicContact CG2-CD2 4.22Å; T513-Y519 HydrophobicContact CG2-CE2 3.83Å
514	V	89.1	Confident	89.9	Confident	108 Å²	108	37.9 Å²	37.9	66%	0.655	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	3.7	177.3	-60	0	0	0	0	113.4	L510 L511 V516	L510-V514 PolarHBondContact O-N 3.29Å; L511-V514 WeakPolarHBondContact O-CG2 3.29Å; L511-V514 PolarHBondContact O-N 2.78Å; V514-V516 HydrophobicContact CG2-CG2 4.31Å
515	G	84.6	Confident	89.6	Confident	63 Å²	63	35 Å²	35	65%	0.649	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.3	12.2	171.1	0	0	0	0	0	116.3	L511 S517	L511-G515 PolarHBondContact O-N 3.2Å; G515-S517 VanDerWaalsContact C-N 3.35Å
516	V	87.8	Confident	89.1	Confident	45 Å²	45	35.6 Å²	35.6	27%	0.273	21%	0.214	S	C	.	.	S	Bend	trans	-73.1	-31.4	172.2	176	0	0	0	0	111.6	L511 V514 V534 S535 Y538	L511-V516 HydrophobicContact CB-CB 4.2Å; L511-V516 HydrophobicContact CB-CG2 4.49Å; L511-V516 HydrophobicContact CD2-CB 4.38Å; L511-V516 HydrophobicContact CD2-CG2 3.85Å; L511-V516 WeakPolarHBondContact O-CB 3.09Å; L511-V516 PolarHBondContact O-N 3.19Å; L511-V516 VanDerWaalsContact O-N 3.13Å; V514-V516 HydrophobicContact CG2-CG2 4.31Å; V516-V534 HydrophobicContact CG1-CG1 3.83Å; V516-S535 WeakPolarHBondContact O-CA 3.49Å; V516-S535 PolarHBondContact O-N 3.17Å; V516-S535 PolarHBondContact O-OG 3.42Å; V516-Y538 HydrophobicContact CG1-CD2 4.49Å
517	S	89.8	Confident	88.5	Confident	5 Å²	5	32.6 Å²	32.6	4%	0.035	20%	0.199	C	C	.	.	S	Bend	trans	-142.9	-170	170.9	-173.7	0	0	0	0	108.1	P512 G515	P512-S517 WeakPolarHBondContact CA-O 3.41Å; G515-S517 VanDerWaalsContact C-N 3.35Å
518	S	89.3	Confident	87.4	Confident	30 Å²	30	30 Å²	30	21%	0.21	18%	0.184	C	C	.	.			trans	-141.4	127.3	-179.6	-176.2	0	0	0	0	112.7	S520	S518-S520 VanDerWaalsContact C-N 3.27Å; S518-S520 PolarHBondContact OG-N 3.01Å; S518-S520 VanDerWaalsContact OG-N 3.16Å
519	Y	89.8	Confident	86.5	Confident	3 Å²	3	30.5 Å²	30.5	1%	0.012	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-77.6	-14	167.9	-63.8	-50.3	0	0	0	112.7	C450 G454 V458 A509 P512 T513 K521 C525 P527	C450-Y519 PolarHBondContact SG-O 3.29Å; G454-Y519 WeakPolarHBondContact O-CE1 3.11Å; G454-Y519 VanDerWaalsContact O-CZ 3.32Å; G454-Y519 PolarHBondContact O-OH 3.26Å; V458-Y519 HydrophobicContact CG2-CE1 3.75Å; V458-Y519 WeakPolarHBondContact CG2-OH 3.29Å; A509-Y519 PolarHBondContact O-OH 2.91Å; P512-Y519 HydrophobicContact CB-CD1 4.17Å; P512-Y519 HydrophobicContact CB-CD2 3.91Å; P512-Y519 HydrophobicContact CB-CE1 3.88Å; P512-Y519 HydrophobicContact CB-CE2 3.61Å; P512-Y519 HydrophobicContact CB-CG 4.18Å; P512-Y519 HydrophobicContact CG-CE1 3.82Å; P512-Y519 HydrophobicContact CG-CE2 4Å; P512-Y519 WeakPolarHBondContact CG-OH 3.22Å; T513-Y519 HydrophobicContact CG2-CD2 4.22Å; T513-Y519 HydrophobicContact CG2-CE2 3.83Å; Y519-K521 VanDerWaalsContact C-N 3.31Å; Y519-K521 PolarHBondContact O-N 3.07Å; Y519-C525 WeakPolarHBondContact CD1-O 3.45Å; Y519-C525 WeakPolarHBondContact O-CA 3.43Å; Y519-P527 HydrophobicContact CD1-CB 3.93Å; Y519-P527 HydrophobicContact CD1-CG 4.31Å; Y519-P527 HydrophobicContact CE1-CB 3.77Å; Y519-P527 HydrophobicContact CE1-CG 3.82Å
520	S	86.3	Confident	85.5	Confident	26 Å²	26	32 Å²	32	18%	0.182	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-83.2	-3.1	-171.6	-59	0	0	0	0	114.1	Q445 S518	Q445-S520 WeakPolarHBondContact CB-O 3.29Å; Q445-S520 WeakPolarHBondContact O-CA 3.29Å; Q445-S520 WeakPolarHBondContact O-CB 3.39Å; Q445-S520 PolarHBondContact O-OG 2.91Å; S518-S520 VanDerWaalsContact C-N 3.27Å; S518-S520 PolarHBondContact OG-N 3.01Å; S518-S520 VanDerWaalsContact OG-N 3.16Å
521	K	80.7	Confident	84.6	Confident	66 Å²	66	35.7 Å²	35.7	29%	0.287	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-77.8	-36.2	-174	-73	-68.9	-165.8	166.3	0	113.7	N362 Y519 D529 E531	N362-K521 PolarHBondContact ND2-O 2.76Å; Y519-K521 VanDerWaalsContact C-N 3.31Å; Y519-K521 PolarHBondContact O-N 3.07Å; K521-D529 HydrophobicContact CG-CB 4.01Å; K521-E531 IonicContact NZ-OE1 2.78Å; K521-E531 PolarHBondContact NZ-OE1 3.46Å; K521-E531 IonicContact NZ-OE2 3.57Å; K521-E531 PolarHBondContact NZ-OE2 2.78Å
522	V	80.3	Confident	84.3	Confident	8 Å²	8	35.8 Å²	35.8	5%	0.048	22%	0.216	C	C	.	.	S	Bend	trans	-118	145.2	-175.8	-173.7	0	0	0	0	109.7	F361 I524 C525 M528	F361-V522 HydrophobicContact CD1-CG2 4.07Å; V522-I524 PolarHBondContact O-N 3.04Å; V522-I524 VanDerWaalsContact O-N 3.14Å; V522-C525 PolarHBondContact O-N 3.39Å; V522-M528 HydrophobicContact CG2-CB 4.03Å
523	S	82.3	Confident	84	Confident	4 Å²	4	40.5 Å²	40.5	3%	0.028	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.1	-177.8	54	0	0	0	0	115.3	Y437 W444 C525	Y437-S523 WeakPolarHBondContact OH-CA 3.45Å; Y437-S523 WeakPolarHBondContact OH-CB 3.4Å; W444-S523 PolarHBondContact NE1-O 2.66Å; S523-C525 VanDerWaalsContact C-N 3.33Å
524	I	84.5	Confident	83.9	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.031	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.9	179.7	-59.7	168.7	0	0	0	111.7	I367 M368 Y422 V522 L526 K616 V620	I367-I524 HydrophobicContact CG2-CG1 4.27Å; M368-I524 HydrophobicContact CE-CD1 3.46Å; M368-I524 VanDerWaalsContact CE-CD1 3.46Å; M368-I524 HydrophobicContact CE-CG1 3.52Å; Y422-I524 WeakPolarHBondContact OH-CG2 3.33Å; Y422-I524 PolarHBondContact OH-O 3.44Å; V522-I524 PolarHBondContact O-N 3.04Å; V522-I524 VanDerWaalsContact O-N 3.14Å; I524-L526 VanDerWaalsContact C-N 3.34Å; I524-L526 HydrophobicContact CG2-CD1 4.24Å; I524-L526 HydrophobicContact CG2-CG 4.36Å; I524-L526 PolarHBondContact O-N 3.33Å; I524-K616 HydrophobicContact CD1-CB 4.3Å; I524-K616 HydrophobicContact CD1-CD 4.18Å; I524-K616 HydrophobicContact CD1-CG 3.83Å; I524-V620 HydrophobicContact CD1-CG2 4.17Å
525	C	89.3	Confident	83.8	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.			trans	67.7	25.5	173.6	-49.5	0	0	0	0	115.7	C450 A453 G454 Y519 V522 S523	C450-C525 WeakPolarHBondContact CA-SG 2.97Å; C450-C525 HydrophobicContact CB-CB 4.19Å; C450-C525 WeakPolarHBondContact CB-SG 3.22Å; C450-C525 VanDerWaalsContact O-CB 3.3Å; C450-C525 WeakPolarHBondContact O-CB 3.35Å; C450-C525 WeakPolarHBondContact SG-CB 3.27Å; C450-C525 CovalentContact SG-SG 2.03Å; C450-C525 PolarHBondContact SG-SG 3.41Å; A453-C525 HydrophobicContact CB-CB 4.22Å; G454-C525 WeakPolarHBondContact CA-O 3.33Å; Y519-C525 WeakPolarHBondContact CD1-O 3.45Å; Y519-C525 WeakPolarHBondContact O-CA 3.43Å; V522-C525 PolarHBondContact O-N 3.39Å; S523-C525 VanDerWaalsContact C-N 3.33Å
526	L	85.6	Confident	83.8	Confident	13 Å²	13	36.6 Å²	36.6	7%	0.068	20%	0.204	C	C	.	.			trans	-84	146.2	172.9	-70.2	167.4	0	0	0	111	T457 I524 M528 L619	T457-L526 HydrophobicContact CG2-CD2 3.81Å; I524-L526 VanDerWaalsContact C-N 3.34Å; I524-L526 HydrophobicContact CG2-CD1 4.24Å; I524-L526 HydrophobicContact CG2-CG 4.36Å; I524-L526 PolarHBondContact O-N 3.33Å; L526-M528 VanDerWaalsContact C-N 3.26Å; L526-M528 HydrophobicContact CB-CG 3.99Å; L526-M528 PolarHBondContact O-N 3.18Å; L526-L619 HydrophobicContact CD1-CD1 4.44Å; L526-L619 HydrophobicContact CD1-CD2 3.78Å
527	P	84.1	Confident	83.8	Confident	13 Å²	13	38.9 Å²	38.9	8%	0.084	22%	0.218	C	C	.	.			trans	-78.6	78.3	179.1	34.3	-33.2	0	0	0	109.4	V458 P512 Y519 Y538 V539	V458-P527 HydrophobicContact CG2-CG 3.86Å; P512-P527 HydrophobicContact CG-CB 4.19Å; Y519-P527 HydrophobicContact CD1-CB 3.93Å; Y519-P527 HydrophobicContact CD1-CG 4.31Å; Y519-P527 HydrophobicContact CE1-CB 3.77Å; Y519-P527 HydrophobicContact CE1-CG 3.82Å; P527-Y538 HydrophobicContact CB-CE1 3.83Å; P527-Y538 HydrophobicContact CG-CE1 4.04Å; P527-V539 WeakPolarHBondContact O-CG2 3.49Å
528	M	72.7	Confident	83.9	Confident	48 Å²	48	39.2 Å²	39.2	24%	0.236	22%	0.219	C	C	.	.			trans	-106.8	22.8	-179.5	-64.6	-64.1	-69	0	0	112.1	V522 L526 V530	V522-M528 HydrophobicContact CG2-CB 4.03Å; L526-M528 VanDerWaalsContact C-N 3.26Å; L526-M528 HydrophobicContact CB-CG 3.99Å; L526-M528 PolarHBondContact O-N 3.18Å; M528-V530 PolarHBondContact O-N 2.93Å
529	D	76.8	Confident	83.7	Confident	17 Å²	17	38.2 Å²	38.2	9%	0.091	21%	0.212	C	C	.	.			trans	-73.1	117.8	179.2	-176.1	21	0	0	0	111.1	K521 E531 S535	K521-D529 HydrophobicContact CG-CB 4.01Å; D529-E531 PolarHBondContact OD1-N 3.23Å; D529-S535 CarbonylContact O-C 3.21Å; D529-S535 WeakPolarHBondContact O-CB 3.44Å; D529-S535 WeakPolarHBondContact OD2-CB 3.43Å; D529-S535 PolarHBondContact OD2-OG 3.31Å
530	V	73.3	Confident	83.4	Confident	31 Å²	31	41.1 Å²	41.1	19%	0.188	23%	0.23	C	C	.	.			trans	-123.5	11.1	179.6	-63.8	0	0	0	0	112.5	F361 M528	F361-V530 HydrophobicContact CZ-CG2 4.45Å; M528-V530 PolarHBondContact O-N 2.93Å
531	E	76.7	Confident	83.5	Confident	148 Å²	148	45 Å²	45	69%	0.692	24%	0.243	S	C	*	.	S	Bend	trans	-74.7	-41.2	178.6	-72.6	174.4	-160.6	0	0	111.5	K521 D529	K521-E531 IonicContact NZ-OE1 2.78Å; K521-E531 PolarHBondContact NZ-OE1 3.46Å; K521-E531 IonicContact NZ-OE2 3.57Å; K521-E531 PolarHBondContact NZ-OE2 2.78Å; D529-E531 PolarHBondContact OD1-N 3.23Å
532	S	85.1	Confident	83.7	Confident	53 Å²	53	42.5 Å²	42.5	37%	0.371	23%	0.233	S	C	.	.	S	Bend	trans	-92.1	142.7	175.9	177.6	0	0	0	0	111.2	V534 S535 Q536	S532-V534 PolarHBondContact O-N 3.49Å; S532-V534 PolarHBondContact OG-N 3.3Å; S532-S535 PolarHBondContact O-N 3.11Å; S532-Q536 WeakPolarHBondContact O-CB 3.22Å; S532-Q536 PolarHBondContact O-N 3.07Å
533	V	86.4	Confident	83.7	Confident	107 Å²	107	43 Å²	43	65%	0.648	24%	0.235	S	C	*	.	H	α-helix	trans	-58.5	-37.7	173.8	179.7	0	0	0	0	110.9	Q536 V537	V533-Q536 PolarHBondContact O-N 2.83Å; V533-V537 HydrophobicContact CG1-CG2 4.45Å; V533-V537 VanDerWaalsContact O-CG2 3.3Å; V533-V537 WeakPolarHBondContact O-CG2 3.25Å; V533-V537 PolarHBondContact O-N 3.37Å
534	V	88.5	Confident	83.8	Confident	85 Å²	85	45.3 Å²	45.3	52%	0.515	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-47.9	179.2	-178.8	0	0	0	0	110.6	V516 S532 Q536 V537 Y538	V516-V534 HydrophobicContact CG1-CG1 3.83Å; S532-V534 PolarHBondContact O-N 3.49Å; S532-V534 PolarHBondContact OG-N 3.3Å; V534-Q536 VanDerWaalsContact C-N 3.33Å; V534-Q536 PolarHBondContact O-N 2.72Å; V534-V537 PolarHBondContact O-N 3.33Å; V534-Y538 PolarHBondContact O-N 3.09Å
535	S	85.6	Confident	83.8	Confident	5 Å²	5	47.3 Å²	47.3	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-44.1	176.1	-52.5	0	0	0	0	110.9	V516 D529 S532 V537 Y538 V539	V516-S535 WeakPolarHBondContact O-CA 3.49Å; V516-S535 PolarHBondContact O-N 3.17Å; V516-S535 PolarHBondContact O-OG 3.42Å; D529-S535 CarbonylContact O-C 3.21Å; D529-S535 WeakPolarHBondContact O-CB 3.44Å; D529-S535 WeakPolarHBondContact OD2-CB 3.43Å; D529-S535 PolarHBondContact OD2-OG 3.31Å; S532-S535 PolarHBondContact O-N 3.11Å; S535-V537 PolarHBondContact O-N 2.97Å; S535-Y538 WeakPolarHBondContact O-CB 3.2Å; S535-Y538 PolarHBondContact O-N 2.64Å; S535-V539 WeakPolarHBondContact O-CG2 3.46Å; S535-V539 PolarHBondContact O-N 2.82Å
536	Q	85.2	Confident	83.3	Confident	55 Å²	55	48.7 Å²	48.7	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-45.3	178.4	-172.8	-178.3	-1.7	0	0	112.3	S532 V533 V534 Y538 V539 V540 A604	S532-Q536 WeakPolarHBondContact O-CB 3.22Å; S532-Q536 PolarHBondContact O-N 3.07Å; V533-Q536 PolarHBondContact O-N 2.83Å; V534-Q536 VanDerWaalsContact C-N 3.33Å; V534-Q536 PolarHBondContact O-N 2.72Å; Q536-Y538 VanDerWaalsContact C-N 3.32Å; Q536-Y538 PolarHBondContact O-N 2.62Å; Q536-V539 PolarHBondContact O-N 3.01Å; Q536-V540 HydrophobicContact CG-CG2 4.48Å; Q536-V540 WeakPolarHBondContact O-CB 3.3Å; Q536-V540 VanDerWaalsContact O-CG2 3.29Å; Q536-V540 WeakPolarHBondContact O-CG2 3.4Å; Q536-V540 PolarHBondContact O-N 3.03Å; Q536-A604 PolarHBondContact NE2-O 2.76Å
537	V	88.5	Confident	83	Confident	94 Å²	94	50.9 Å²	50.9	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-60.9	-42.9	177	168.5	0	0	0	0	110.9	V533 V534 S535 V540 F541	V533-V537 HydrophobicContact CG1-CG2 4.45Å; V533-V537 VanDerWaalsContact O-CG2 3.3Å; V533-V537 WeakPolarHBondContact O-CG2 3.25Å; V533-V537 PolarHBondContact O-N 3.37Å; V534-V537 PolarHBondContact O-N 3.33Å; S535-V537 PolarHBondContact O-N 2.97Å; V537-V540 PolarHBondContact O-N 3.39Å; V537-F541 WeakPolarHBondContact O-CB 3.31Å; V537-F541 PolarHBondContact O-N 3.24Å
538	Y	90.6	Very high	83.1	Confident	12 Å²	12	55.6 Å²	55.6	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-49.1	176.6	167.1	-93.2	0	0	0	112.2	A508 L511 P512 V516 P527 V534 S535 Q536 V540 F541 L542	A508-Y538 PolarHBondContact O-OH 2.61Å; L511-Y538 HydrophobicContact CB-CD2 4.25Å; L511-Y538 HydrophobicContact CB-CE2 3.81Å; L511-Y538 HydrophobicContact CD1-CD2 4.1Å; L511-Y538 HydrophobicContact CD1-CE2 3.93Å; P512-Y538 WeakPolarHBondContact CD-OH 3.32Å; P512-Y538 HydrophobicContact CG-CE1 3.73Å; P512-Y538 HydrophobicContact CG-CE2 4.31Å; P512-Y538 VanDerWaalsContact CG-CZ 3.48Å; P512-Y538 WeakPolarHBondContact CG-OH 3.29Å; V516-Y538 HydrophobicContact CG1-CD2 4.49Å; P527-Y538 HydrophobicContact CB-CE1 3.83Å; P527-Y538 HydrophobicContact CG-CE1 4.04Å; V534-Y538 PolarHBondContact O-N 3.09Å; S535-Y538 WeakPolarHBondContact O-CB 3.2Å; S535-Y538 PolarHBondContact O-N 2.64Å; Q536-Y538 VanDerWaalsContact C-N 3.32Å; Q536-Y538 PolarHBondContact O-N 2.62Å; Y538-V540 PolarHBondContact O-N 3.04Å; Y538-F541 PolarHBondContact O-N 2.98Å; Y538-L542 HydrophobicContact CD1-CD1 4.39Å; Y538-L542 HydrophobicContact CE1-CD1 3.6Å; Y538-L542 HydrophobicContact CE1-CG 4.46Å; Y538-L542 HydrophobicContact CE2-CD1 3.97Å; Y538-L542 HydrophobicContact CE2-CG 4.28Å; Y538-L542 PolarHBondContact O-N 3.24Å; Y538-L542 VanDerWaalsContact O-N 3.08Å; Y538-L542 WeakPolarHBondContact OH-CD1 3.24Å
539	V	85.3	Confident	83.5	Confident	9 Å²	9	54.1 Å²	54.1	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-47.2	-179.9	175.6	0	0	0	0	110.7	P527 S535 Q536 F541 L542 L543	P527-V539 WeakPolarHBondContact O-CG2 3.49Å; S535-V539 WeakPolarHBondContact O-CG2 3.46Å; S535-V539 PolarHBondContact O-N 2.82Å; Q536-V539 PolarHBondContact O-N 3.01Å; V539-F541 VanDerWaalsContact C-N 3.31Å; V539-F541 PolarHBondContact O-N 3.2Å; V539-L542 PolarHBondContact O-N 2.93Å; V539-L543 HydrophobicContact CG1-CD1 3.89Å; V539-L543 WeakPolarHBondContact O-CD1 3.15Å; V539-L543 VanDerWaalsContact O-CG 3.22Å; V539-L543 WeakPolarHBondContact O-CG 3.38Å; V539-L543 PolarHBondContact O-N 3.19Å; V539-L543 VanDerWaalsContact O-N 3.14Å
540	V	84	Confident	83.6	Confident	64 Å²	64	56.1 Å²	56.1	39%	0.388	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-39.3	178	172.3	0	0	0	0	111.6	Q536 V537 Y538 L543 A544 A604	Q536-V540 HydrophobicContact CG-CG2 4.48Å; Q536-V540 WeakPolarHBondContact O-CB 3.3Å; Q536-V540 VanDerWaalsContact O-CG2 3.29Å; Q536-V540 WeakPolarHBondContact O-CG2 3.4Å; Q536-V540 PolarHBondContact O-N 3.03Å; V537-V540 PolarHBondContact O-N 3.39Å; Y538-V540 PolarHBondContact O-N 3.04Å; V540-L543 PolarHBondContact O-N 3.5Å; V540-A544 VanDerWaalsContact O-CB 3.3Å; V540-A544 WeakPolarHBondContact O-CB 3.35Å; V540-A544 PolarHBondContact O-N 2.95Å; V540-A604 HydrophobicContact CG2-CB 3.73Å
541	F	88.6	Confident	84	Confident	108 Å²	108	61 Å²	61	47%	0.474	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-48.4	177.9	172.8	-102.6	0	0	0	112.1	F504 V537 Y538 V539 L543 A544 L545	F504-F541 HydrophobicContact CE2-CE1 4.19Å; V537-F541 WeakPolarHBondContact O-CB 3.31Å; V537-F541 PolarHBondContact O-N 3.24Å; Y538-F541 PolarHBondContact O-N 2.98Å; V539-F541 VanDerWaalsContact C-N 3.31Å; V539-F541 PolarHBondContact O-N 3.2Å; F541-L543 VanDerWaalsContact C-N 3.33Å; F541-L543 PolarHBondContact O-N 2.99Å; F541-A544 PolarHBondContact O-N 3.28Å; F541-L545 HydrophobicContact CD1-CD1 4.12Å; F541-L545 HydrophobicContact CE1-CD1 3.51Å; F541-L545 HydrophobicContact CE1-CG 4.4Å; F541-L545 HydrophobicContact CE2-CD1 4.15Å; F541-L545 HydrophobicContact CE2-CD2 4.46Å; F541-L545 HydrophobicContact CE2-CG 4.3Å; F541-L545 HydrophobicContact CZ-CD1 3.54Å; F541-L545 HydrophobicContact CZ-CD2 4.47Å; F541-L545 HydrophobicContact CZ-CG 4.18Å; F541-L545 WeakPolarHBondContact O-CG 3.24Å; F541-L545 PolarHBondContact O-N 3.03Å
542	L	85.5	Confident	84.3	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-43.7	176.3	-73	-177.3	0	0	0	112.2	V458 E462 A508 Y538 V539 A544 L545 N546	V458-L542 HydrophobicContact CG1-CD1 4.39Å; E462-L542 HydrophobicContact CG-CD2 4.38Å; A508-L542 HydrophobicContact CB-CD2 4.04Å; Y538-L542 HydrophobicContact CD1-CD1 4.39Å; Y538-L542 HydrophobicContact CE1-CD1 3.6Å; Y538-L542 HydrophobicContact CE1-CG 4.46Å; Y538-L542 HydrophobicContact CE2-CD1 3.97Å; Y538-L542 HydrophobicContact CE2-CG 4.28Å; Y538-L542 PolarHBondContact O-N 3.24Å; Y538-L542 VanDerWaalsContact O-N 3.08Å; Y538-L542 WeakPolarHBondContact OH-CD1 3.24Å; V539-L542 PolarHBondContact O-N 2.93Å; L542-A544 PolarHBondContact O-N 2.7Å; L542-L545 PolarHBondContact O-N 3.23Å; L542-N546 PolarHBondContact O-N 3.34Å; L542-N546 VanDerWaalsContact O-N 3.17Å; L542-N546 PolarHBondContact O-ND2 3.11Å
543	L	80.3	Confident	84	Confident	19 Å²	19	54.3 Å²	54.3	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-41.5	178.3	-64.1	165.1	0	0	0	112.2	V539 V540 F541 L545 N546 I547 A600	V539-L543 HydrophobicContact CG1-CD1 3.89Å; V539-L543 WeakPolarHBondContact O-CD1 3.15Å; V539-L543 VanDerWaalsContact O-CG 3.22Å; V539-L543 WeakPolarHBondContact O-CG 3.38Å; V539-L543 PolarHBondContact O-N 3.19Å; V539-L543 VanDerWaalsContact O-N 3.14Å; V540-L543 PolarHBondContact O-N 3.5Å; F541-L543 VanDerWaalsContact C-N 3.33Å; F541-L543 PolarHBondContact O-N 2.99Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.88Å; L543-N546 PolarHBondContact O-N 2.88Å; L543-I547 WeakPolarHBondContact O-CG1 3.5Å; L543-I547 PolarHBondContact O-N 3.38Å; L543-A600 HydrophobicContact CD1-CB 3.24Å; L543-A600 HydrophobicContact CD2-CB 3.34Å; L543-A600 HydrophobicContact CG-CB 3.88Å
544	A	83.5	Confident	83.6	Confident	51 Å²	51	51.7 Å²	51.7	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-37.3	178.1	0	0	0	0	0	111.8	V540 F541 L542 I547 L548	V540-A544 VanDerWaalsContact O-CB 3.3Å; V540-A544 WeakPolarHBondContact O-CB 3.35Å; V540-A544 PolarHBondContact O-N 2.95Å; F541-A544 PolarHBondContact O-N 3.28Å; L542-A544 PolarHBondContact O-N 2.7Å; A544-I547 PolarHBondContact O-N 3.45Å; A544-L548 WeakPolarHBondContact O-CB 3.33Å; A544-L548 PolarHBondContact O-N 2.94Å
545	L	84.3	Confident	83.2	Confident	49 Å²	49	49.6 Å²	49.6	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-42.6	174.6	-71.7	178.5	0	0	0	112.4	F504 F541 L542 L543 I547 L548 A549	F504-L545 HydrophobicContact CE1-CD1 4.23Å; F504-L545 HydrophobicContact CE2-CD1 3.7Å; F504-L545 HydrophobicContact CZ-CD1 3.26Å; F541-L545 HydrophobicContact CD1-CD1 4.12Å; F541-L545 HydrophobicContact CE1-CD1 3.51Å; F541-L545 HydrophobicContact CE1-CG 4.4Å; F541-L545 HydrophobicContact CE2-CD1 4.15Å; F541-L545 HydrophobicContact CE2-CD2 4.46Å; F541-L545 HydrophobicContact CE2-CG 4.3Å; F541-L545 HydrophobicContact CZ-CD1 3.54Å; F541-L545 HydrophobicContact CZ-CD2 4.47Å; F541-L545 HydrophobicContact CZ-CG 4.18Å; F541-L545 WeakPolarHBondContact O-CG 3.24Å; F541-L545 PolarHBondContact O-N 3.03Å; L542-L545 PolarHBondContact O-N 3.23Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.88Å; L545-I547 VanDerWaalsContact C-N 3.31Å; L545-I547 PolarHBondContact O-N 3.16Å; L545-L548 PolarHBondContact O-N 3.35Å; L545-A549 WeakPolarHBondContact O-CB 3.42Å; L545-A549 PolarHBondContact O-N 3.11Å
546	N	79.3	Confident	82.9	Confident	28 Å²	28	49.9 Å²	49.9	15%	0.15	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-39.5	175.8	-73.2	-41.3	0	0	0	111.9	E462 L542 L543 F550	E462-N546 PolarHBondContact OE1-ND2 2.93Å; L542-N546 PolarHBondContact O-N 3.34Å; L542-N546 VanDerWaalsContact O-N 3.17Å; L542-N546 PolarHBondContact O-ND2 3.11Å; L543-N546 PolarHBondContact O-N 2.88Å; N546-F550 PolarHBondContact O-N 3.03Å; N546-F550 VanDerWaalsContact O-N 3.16Å
547	I	79	Confident	82.3	Confident	60 Å²	60	49 Å²	49	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-42.3	173.5	-66.9	167.5	0	0	0	111.3	L543 A544 L545 F550 F551	L543-I547 WeakPolarHBondContact O-CG1 3.5Å; L543-I547 PolarHBondContact O-N 3.38Å; A544-I547 PolarHBondContact O-N 3.45Å; L545-I547 VanDerWaalsContact C-N 3.31Å; L545-I547 PolarHBondContact O-N 3.16Å; I547-F550 WeakPolarHBondContact O-CB 3.33Å; I547-F550 PolarHBondContact O-N 3.23Å; I547-F551 HydrophobicContact CG2-CD2 3.82Å; I547-F551 HydrophobicContact CG2-CE2 3.49Å; I547-F551 VanDerWaalsContact CG2-CE2 3.49Å; I547-F551 WeakPolarHBondContact O-CD2 3.17Å; I547-F551 PolarHBondContact O-N 3.48Å; I547-F551 VanDerWaalsContact O-N 3.13Å
548	L	85.2	Confident	81.7	Confident	111 Å²	111	49.4 Å²	49.4	58%	0.581	28%	0.275	S	S	*	.	H	α-helix	trans	-64.2	-42	178.4	179.8	62.8	0	0	0	111.9	A544 L545 F550 F551 C552	A544-L548 WeakPolarHBondContact O-CB 3.33Å; A544-L548 PolarHBondContact O-N 2.94Å; L545-L548 PolarHBondContact O-N 3.35Å; L548-F550 VanDerWaalsContact C-N 3.29Å; L548-F550 PolarHBondContact O-N 2.92Å; L548-F551 PolarHBondContact O-N 2.9Å; L548-C552 PolarHBondContact O-N 2.86Å
549	A	82.9	Confident	81.1	Confident	17 Å²	17	50.8 Å²	50.8	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-57.1	-44.9	174.5	0	0	0	0	0	110.9	V465 L545 F551 C552 V553	V465-A549 HydrophobicContact CG1-CB 3.61Å; L545-A549 WeakPolarHBondContact O-CB 3.42Å; L545-A549 PolarHBondContact O-N 3.11Å; A549-F551 PolarHBondContact O-N 2.96Å; A549-C552 WeakPolarHBondContact O-CB 3.41Å; A549-C552 PolarHBondContact O-N 3.06Å; A549-V553 WeakPolarHBondContact O-CG2 3.48Å; A549-V553 PolarHBondContact O-N 2.82Å
550	F	77.4	Confident	80.5	Confident	59 Å²	59	50.9 Å²	50.9	26%	0.259	29%	0.286	S	S	.	.	H	α-helix	trans	-57.6	-49.5	175.2	171.7	-104	0	0	0	112.8	N546 I547 L548 C552 V553 C554 F590	N546-F550 PolarHBondContact O-N 3.03Å; N546-F550 VanDerWaalsContact O-N 3.16Å; I547-F550 WeakPolarHBondContact O-CB 3.33Å; I547-F550 PolarHBondContact O-N 3.23Å; L548-F550 VanDerWaalsContact C-N 3.29Å; L548-F550 PolarHBondContact O-N 2.92Å; F550-C552 VanDerWaalsContact C-N 3.3Å; F550-C552 PolarHBondContact O-N 2.93Å; F550-V553 PolarHBondContact O-N 3.33Å; F550-C554 WeakPolarHBondContact CE2-SG 3.48Å; F550-C554 WeakPolarHBondContact CZ-SG 3.4Å; F550-C554 PolarHBondContact O-N 2.85Å; F550-F590 HydrophobicContact CD1-CD2 4.42Å; F550-F590 HydrophobicContact CD1-CE2 4.28Å; F550-F590 HydrophobicContact CD2-CB 4.17Å; F550-F590 AromaticContact CD2-CD2 3.34Å; F550-F590 HydrophobicContact CD2-CD2 3.34Å; F550-F590 AromaticContact CD2-CE2 3.99Å; F550-F590 HydrophobicContact CD2-CE2 3.99Å; F550-F590 HydrophobicContact CD2-CG 4.04Å; F550-F590 HydrophobicContact CE1-CD2 4.09Å; F550-F590 AromaticContact CE1-CE2 3.73Å; F550-F590 HydrophobicContact CE1-CE2 3.73Å; F550-F590 HydrophobicContact CE1-CZ 4.49Å; F550-F590 HydrophobicContact CE2-CB 3.79Å; F550-F590 HydrophobicContact CE2-CD1 4.26Å; F550-F590 AromaticContact CE2-CD2 2.93Å; F550-F590 HydrophobicContact CE2-CD2 2.93Å; F550-F590 AromaticContact CE2-CE2 3.43Å; F550-F590 HydrophobicContact CE2-CE2 3.43Å; F550-F590 VanDerWaalsContact CE2-CE2 3.43Å; F550-F590 AromaticContact CE2-CG 3.39Å; F550-F590 HydrophobicContact CE2-CG 3.39Å; F550-F590 HydrophobicContact CE2-CZ 4.27Å; F550-F590 HydrophobicContact CG-CD2 4.07Å; F550-F590 HydrophobicContact CG-CE2 4.38Å; F550-F590 AromaticContact CZ-CD2 3.34Å; F550-F590 HydrophobicContact CZ-CD2 3.34Å; F550-F590 HydrophobicContact CZ-CE1 4.48Å; F550-F590 AromaticContact CZ-CE2 3.25Å; F550-F590 HydrophobicContact CZ-CE2 3.25Å; F550-F590 AromaticContact CZ-CG 3.98Å; F550-F590 HydrophobicContact CZ-CG 3.98Å; F550-F590 AromaticContact CZ-CZ 3.87Å; F550-F590 HydrophobicContact CZ-CZ 3.87Å
551	F	81.9	Confident	79.9	Confident	134 Å²	134	54.5 Å²	54.5	59%	0.588	29%	0.294	S	S	*	.	H	α-helix	trans	-62.8	-36.8	178	-76.4	-66.3	0	0	0	112.8	I547 L548 A549 C554 G555	I547-F551 HydrophobicContact CG2-CD2 3.82Å; I547-F551 HydrophobicContact CG2-CE2 3.49Å; I547-F551 VanDerWaalsContact CG2-CE2 3.49Å; I547-F551 WeakPolarHBondContact O-CD2 3.17Å; I547-F551 PolarHBondContact O-N 3.48Å; I547-F551 VanDerWaalsContact O-N 3.13Å; L548-F551 PolarHBondContact O-N 2.9Å; A549-F551 PolarHBondContact O-N 2.96Å; F551-C554 PolarHBondContact O-N 2.8Å; F551-G555 PolarHBondContact O-N 2.85Å
552	C	84.1	Confident	79.2	Confident	54 Å²	54	53.7 Å²	53.7	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-48.4	174.4	-175.8	0	0	0	0	111.2	T469 L548 A549 F550 G555 C556	T469-C552 HydrophobicContact CG2-CB 4.39Å; L548-C552 PolarHBondContact O-N 2.86Å; A549-C552 WeakPolarHBondContact O-CB 3.41Å; A549-C552 PolarHBondContact O-N 3.06Å; F550-C552 VanDerWaalsContact C-N 3.3Å; F550-C552 PolarHBondContact O-N 2.93Å; C552-G555 PolarHBondContact O-N 3.44Å; C552-C556 PolarHBondContact O-N 2.86Å; C552-C556 PolarHBondContact O-SG 3.16Å
553	V	77.8	Confident	78.4	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.036	31%	0.31	C	S	.	.	H	α-helix	trans	-58.6	-52	176.1	172.2	0	0	0	0	110.3	T469 T472 A549 F550 G555 C556 Y557 I586	T469-V553 HydrophobicContact CG2-CG2 4.42Å; T472-V553 HydrophobicContact CG2-CG1 3.96Å; T472-V553 HydrophobicContact CG2-CG2 4.1Å; A549-V553 WeakPolarHBondContact O-CG2 3.48Å; A549-V553 PolarHBondContact O-N 2.82Å; F550-V553 PolarHBondContact O-N 3.33Å; V553-G555 VanDerWaalsContact C-N 3.32Å; V553-G555 PolarHBondContact O-N 2.79Å; V553-C556 WeakPolarHBondContact O-CB 3.45Å; V553-C556 PolarHBondContact O-N 2.88Å; V553-C556 VanDerWaalsContact O-N 3.15Å; V553-Y557 HydrophobicContact CG1-CD2 3.97Å; V553-Y557 HydrophobicContact CG1-CE2 4.15Å; V553-Y557 WeakPolarHBondContact O-CD2 3.44Å; V553-Y557 PolarHBondContact O-N 2.82Å; V553-I586 HydrophobicContact CG1-CB 4.38Å; V553-I586 HydrophobicContact CG1-CD1 3.82Å; V553-I586 HydrophobicContact CG1-CG1 4.07Å; V553-I586 HydrophobicContact CG1-CG2 3.44Å; V553-I586 VanDerWaalsContact CG1-CG2 3.44Å
554	C	77.6	Confident	77.8	Confident	52 Å²	52	60.4 Å²	60.4	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-44.3	178.4	-74.4	0	0	0	0	112.9	F550 F551 Y557 L558	F550-C554 WeakPolarHBondContact CE2-SG 3.48Å; F550-C554 WeakPolarHBondContact CZ-SG 3.4Å; F550-C554 PolarHBondContact O-N 2.85Å; F551-C554 PolarHBondContact O-N 2.8Å; C554-Y557 PolarHBondContact O-N 3.33Å; C554-L558 WeakPolarHBondContact O-CB 3.47Å; C554-L558 PolarHBondContact O-N 2.8Å
555	G	79.9	Confident	76.9	Confident	42 Å²	42	66.7 Å²	66.7	43%	0.433	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-43.5	177	0	0	0	0	0	112.8	F551 C552 V553 Y557 L558 S559	F551-G555 PolarHBondContact O-N 2.85Å; C552-G555 PolarHBondContact O-N 3.44Å; V553-G555 VanDerWaalsContact C-N 3.32Å; V553-G555 PolarHBondContact O-N 2.79Å; G555-Y557 PolarHBondContact O-N 3.14Å; G555-L558 PolarHBondContact O-N 2.67Å; G555-S559 WeakPolarHBondContact O-CB 3.45Å; G555-S559 PolarHBondContact O-N 2.91Å
556	C	81	Confident	75.7	Confident	11 Å²	11	72.3 Å²	72.3	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-46.2	175.8	-69.9	0	0	0	0	111.5	W476 C552 V553 S559 I560	W476-C556 HydrophobicContact CB-CB 3.9Å; W476-C556 HydrophobicContact CG-CB 4.09Å; C552-C556 PolarHBondContact O-N 2.86Å; C552-C556 PolarHBondContact O-SG 3.16Å; V553-C556 WeakPolarHBondContact O-CB 3.45Å; V553-C556 PolarHBondContact O-N 2.88Å; V553-C556 VanDerWaalsContact O-N 3.15Å; C556-S559 WeakPolarHBondContact O-CB 3.48Å; C556-S559 PolarHBondContact O-N 2.97Å; C556-I560 WeakPolarHBondContact O-CG1 3.13Å; C556-I560 PolarHBondContact O-N 3.2Å
557	Y	71.8	Confident	74.4	Confident	36 Å²	36	76.8 Å²	76.8	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-69.9	-39.5	179.7	-84.8	-86.3	0	0	0	113.7	T472 V553 C554 G555 S559 I560 Y561 M582 I586	T472-Y557 HydrophobicContact CG2-CE2 3.69Å; V553-Y557 HydrophobicContact CG1-CD2 3.97Å; V553-Y557 HydrophobicContact CG1-CE2 4.15Å; V553-Y557 WeakPolarHBondContact O-CD2 3.44Å; V553-Y557 PolarHBondContact O-N 2.82Å; C554-Y557 PolarHBondContact O-N 3.33Å; G555-Y557 PolarHBondContact O-N 3.14Å; Y557-S559 PolarHBondContact O-N 2.86Å; Y557-I560 HydrophobicContact CD1-CD1 4.28Å; Y557-I560 HydrophobicContact CE1-CD1 4.24Å; Y557-I560 PolarHBondContact O-N 2.96Å; Y557-Y561 WeakPolarHBondContact O-CB 3.48Å; Y557-Y561 PolarHBondContact O-N 3.43Å; Y557-M582 HydrophobicContact CE1-CB 4.07Å; Y557-M582 WeakPolarHBondContact OH-CB 3.38Å; Y557-M582 VanDerWaalsContact OH-CE 3.26Å; Y557-M582 WeakPolarHBondContact OH-CE 3.49Å; Y557-I586 HydrophobicContact CD2-CD1 3.56Å; Y557-I586 HydrophobicContact CE1-CD1 3.92Å; Y557-I586 HydrophobicContact CE2-CD1 2.86Å; Y557-I586 HydrophobicContact CE2-CG1 4.32Å; Y557-I586 HydrophobicContact CG-CD1 4.36Å; Y557-I586 WeakPolarHBondContact OH-CD1 3.46Å
558	L	76.2	Confident	72.9	Confident	103 Å²	103	79.1 Å²	79.1	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-58.2	-42.2	173.7	-178.3	61.1	0	0	0	110.1	C554 G555 Y561 L562	C554-L558 WeakPolarHBondContact O-CB 3.47Å; C554-L558 PolarHBondContact O-N 2.8Å; G555-L558 PolarHBondContact O-N 2.67Å; L558-Y561 PolarHBondContact O-N 3.12Å; L558-L562 HydrophobicContact CD1-CD1 4.32Å; L558-L562 HydrophobicContact CD1-CG 4.29Å; L558-L562 HydrophobicContact CG-CD1 4.04Å; L558-L562 HydrophobicContact CG-CG 4.43Å; L558-L562 WeakPolarHBondContact O-CB 3.47Å; L558-L562 WeakPolarHBondContact O-CG 3.41Å; L558-L562 PolarHBondContact O-N 3.02Å
559	S	77.6	Confident	71.1	Confident	40 Å²	40	79 Å²	79	28%	0.28	42%	0.421	S	S	.	.	H	α-helix	trans	-65.1	-41.9	175.9	-176.7	0	0	0	0	113.1	W476 G555 C556 Y557 Y561 L562 T563	W476-S559 VanDerWaalsContact NE1-CB 3.25Å; W476-S559 PolarHBondContact NE1-OG 3.48Å; G555-S559 WeakPolarHBondContact O-CB 3.45Å; G555-S559 PolarHBondContact O-N 2.91Å; C556-S559 WeakPolarHBondContact O-CB 3.48Å; C556-S559 PolarHBondContact O-N 2.97Å; Y557-S559 PolarHBondContact O-N 2.86Å; S559-Y561 VanDerWaalsContact C-N 3.35Å; S559-Y561 PolarHBondContact O-N 2.95Å; S559-L562 PolarHBondContact O-N 3.36Å; S559-T563 WeakPolarHBondContact O-CB 3Å; S559-T563 PolarHBondContact O-N 2.71Å; S559-T563 PolarHBondContact O-OG1 3.08Å
560	I	73.3	Confident	69.5	Low	11 Å²	11	82.5 Å²	82.5	6%	0.056	45%	0.45	C	S	.	.	H	α-helix	trans	-58.2	-48.7	172.8	-66.4	168.3	0	0	0	110.1	W476 I479 C556 Y557 L562 T563 Y564	W476-I560 HydrophobicContact CB-CD1 4.07Å; W476-I560 HydrophobicContact CB-CG1 4.18Å; W476-I560 HydrophobicContact CG-CG1 4.47Å; I479-I560 HydrophobicContact CD1-CD1 4.19Å; I479-I560 HydrophobicContact CD1-CG1 4.48Å; I479-I560 HydrophobicContact CD1-CG2 4.26Å; I479-I560 HydrophobicContact CG2-CG2 4.41Å; C556-I560 WeakPolarHBondContact O-CG1 3.13Å; C556-I560 PolarHBondContact O-N 3.2Å; Y557-I560 HydrophobicContact CD1-CD1 4.28Å; Y557-I560 HydrophobicContact CE1-CD1 4.24Å; Y557-I560 PolarHBondContact O-N 2.96Å; I560-L562 PolarHBondContact O-N 2.87Å; I560-T563 WeakPolarHBondContact O-CB 3.35Å; I560-T563 PolarHBondContact O-N 3.32Å; I560-Y564 PolarHBondContact O-N 3.49Å; I560-Y564 VanDerWaalsContact O-N 3.08Å
561	Y	70.6	Confident	68.2	Low	141 Å²	141	85.2 Å²	85.2	55%	0.553	47%	0.474	S	S	*	.	H	α-helix	trans	-61.3	-45.5	-179.4	176.8	-102.1	0	0	0	112.2	Y557 L558 S559 T563 Y564 R565	Y557-Y561 WeakPolarHBondContact O-CB 3.48Å; Y557-Y561 PolarHBondContact O-N 3.43Å; L558-Y561 PolarHBondContact O-N 3.12Å; S559-Y561 VanDerWaalsContact C-N 3.35Å; S559-Y561 PolarHBondContact O-N 2.95Å; Y561-T563 VanDerWaalsContact C-N 3.32Å; Y561-T563 PolarHBondContact O-N 2.92Å; Y561-Y564 PolarHBondContact O-N 3.08Å; Y561-R565 PolarHBondContact O-N 3.01Å; Y561-R565 VanDerWaalsContact O-N 3.1Å
562	L	73.4	Confident	66.8	Low	91 Å²	91	80.4 Å²	80.4	48%	0.476	46%	0.458	S	S	.	.	H	α-helix	trans	-64.8	-35.8	177.1	-70.7	173.7	0	0	0	112.5	L558 S559 I560 Y564 R565	L558-L562 HydrophobicContact CD1-CD1 4.32Å; L558-L562 HydrophobicContact CD1-CG 4.29Å; L558-L562 HydrophobicContact CG-CD1 4.04Å; L558-L562 HydrophobicContact CG-CG 4.43Å; L558-L562 WeakPolarHBondContact O-CB 3.47Å; L558-L562 WeakPolarHBondContact O-CG 3.41Å; L558-L562 PolarHBondContact O-N 3.02Å; S559-L562 PolarHBondContact O-N 3.36Å; I560-L562 PolarHBondContact O-N 2.87Å; L562-Y564 VanDerWaalsContact C-N 3.32Å; L562-R565 PolarHBondContact O-N 2.65Å
563	T	69.6	Low	65.1	Low	66 Å²	66	85.1 Å²	85.1	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-39.8	175.5	-56.7	0	0	0	0	110.9	S559 I560 Y561	S559-T563 WeakPolarHBondContact O-CB 3Å; S559-T563 PolarHBondContact O-N 2.71Å; S559-T563 PolarHBondContact O-OG1 3.08Å; I560-T563 WeakPolarHBondContact O-CB 3.35Å; I560-T563 PolarHBondContact O-N 3.32Å; Y561-T563 VanDerWaalsContact C-N 3.32Å; Y561-T563 PolarHBondContact O-N 2.92Å
564	Y	66.9	Low	63.6	Low	107 Å²	107	88 Å²	88	42%	0.42	50%	0.5	S	S	.	.	H	α-helix	trans	-74.5	-25.3	179.6	-166.5	-91.8	0	0	0	113.5	I560 Y561 L562 K566 A572 T576	I560-Y564 PolarHBondContact O-N 3.49Å; I560-Y564 VanDerWaalsContact O-N 3.08Å; Y561-Y564 PolarHBondContact O-N 3.08Å; L562-Y564 VanDerWaalsContact C-N 3.32Å; Y564-K566 VanDerWaalsContact C-N 3.29Å; Y564-K566 PolarHBondContact O-N 3.5Å; Y564-A572 HydrophobicContact CE2-CB 3.82Å; Y564-A572 VanDerWaalsContact OH-C 3.3Å; Y564-A572 WeakPolarHBondContact OH-CB 3.48Å; Y564-A572 PolarHBondContact OH-O 3.38Å; Y564-T576 HydrophobicContact CD1-CG2 3.93Å; Y564-T576 HydrophobicContact CD2-CG2 4.3Å; Y564-T576 HydrophobicContact CE1-CG2 3.24Å; Y564-T576 HydrophobicContact CE2-CG2 3.66Å; Y564-T576 HydrophobicContact CG-CG2 4.43Å; Y564-T576 WeakPolarHBondContact OH-CG2 2.94Å; Y564-T576 PolarHBondContact OH-OG1 3.24Å
565	R	64.3	Low	62.4	Low	182 Å²	182	90.8 Å²	90.8	69%	0.687	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.8	178.2	-160.6	174.8	-179	179.4	1.8	113.6	Y561 L562 P567	Y561-R565 PolarHBondContact O-N 3.01Å; Y561-R565 VanDerWaalsContact O-N 3.1Å; L562-R565 PolarHBondContact O-N 2.65Å; R565-P567 WeakPolarHBondContact O-CD 3.42Å
566	K	59.6	Low	61.1	Low	168 Å²	168	91 Å²	91	73%	0.73	50%	0.504	S	S	*	.	S	Bend	trans	-89.3	108	173.4	-73.4	-173.8	-179.7	-178.4	0	110.1	Y564 S568	Y564-K566 VanDerWaalsContact C-N 3.29Å; Y564-K566 PolarHBondContact O-N 3.5Å; K566-S568 PolarHBondContact O-N 2.89Å
567	P	51.7	Low	59.7	Low	122 Å²	122	97.7 Å²	97.7	79%	0.792	53%	0.527	S	S	*	.			trans	-82.5	99.3	-175.4	32	-29.1	0	0	0	109.2	R565	R565-P567 WeakPolarHBondContact O-CD 3.42Å
568	S	47.1	Very low	58.9	Low	108 Å²	108	98.6 Å²	98.6	76%	0.755	54%	0.536	S	S	*	.	S	Bend	trans	-139.4	2.1	172	-53	0	0	0	0	115.9	K566	K566-S568 PolarHBondContact O-N 2.89Å
569	S	47.9	Very low	57.7	Low	109 Å²	109	95.1 Å²	95.1	76%	0.762	52%	0.523	S	S	*	.	S	Bend	trans	-164.1	129	165.5	-62	0	0	0	0	111.5
570	A	50.7	Low	56.8	Low	90 Å²	90	99.9 Å²	99.9	74%	0.744	54%	0.541	S	S	*	.			trans	-86.8	151.5	167.3	0	0	0	0	0	109.6
571	P	49.3	Very low	56.2	Low	117 Å²	117	104.8 Å²	104.8	76%	0.76	56%	0.558	S	S	*	*			cis	-112	106.5	39.1	34	-21.7	0	0	0	113.7
572	A	53.3	Low	55.5	Low	32 Å²	32	99.4 Å²	99.4	26%	0.264	54%	0.539	S	S	.	.			trans	-88.7	-12.8	-164.5	0	0	0	0	0	115.4	Y564 T576	Y564-A572 HydrophobicContact CE2-CB 3.82Å; Y564-A572 VanDerWaalsContact OH-C 3.3Å; Y564-A572 WeakPolarHBondContact OH-CB 3.48Å; Y564-A572 PolarHBondContact OH-O 3.38Å; A572-T576 PolarHBondContact O-OG1 3.41Å
573	H	47	Very low	54.8	Low	154 Å²	154	97.2 Å²	97.2	71%	0.713	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-15.8	-169.2	-69.6	-59.1	0	0	0	117.1
574	A	46.7	Very low	54.5	Low	67 Å²	67	97.3 Å²	97.3	55%	0.554	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-39	176.3	0	0	0	0	0	111.6
575	D	52.7	Low	54.2	Low	110 Å²	110	93.4 Å²	93.4	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-78.6	-25.2	-175.8	-69.5	-27.2	0	0	0	113.3	V578 A579	D575-V578 PolarHBondContact O-N 3.02Å; D575-A579 PolarHBondContact O-N 3Å
576	T	51.5	Low	54	Low	46 Å²	46	85.6 Å²	85.6	28%	0.282	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-41.4	171.9	18.8	0	0	0	0	113.3	Y564 A572 V578 A579 Q580	Y564-T576 HydrophobicContact CD1-CG2 3.93Å; Y564-T576 HydrophobicContact CD2-CG2 4.3Å; Y564-T576 HydrophobicContact CE1-CG2 3.24Å; Y564-T576 HydrophobicContact CE2-CG2 3.66Å; Y564-T576 HydrophobicContact CG-CG2 4.43Å; Y564-T576 WeakPolarHBondContact OH-CG2 2.94Å; Y564-T576 PolarHBondContact OH-OG1 3.24Å; A572-T576 PolarHBondContact O-OG1 3.41Å; T576-V578 VanDerWaalsContact C-N 3.25Å; T576-V578 PolarHBondContact O-N 3.24Å; T576-A579 PolarHBondContact O-N 3.29Å; T576-Q580 WeakPolarHBondContact O-CB 3.46Å; T576-Q580 PolarHBondContact O-N 3.32Å
577	R	53.2	Low	54.2	Low	151 Å²	151	84.3 Å²	84.3	57%	0.57	49%	0.487	S	S	*	.	H	α-helix	trans	-65.7	-31.1	175.1	-82.4	-172.6	-92.2	-176.9	-8.3	111.6	R581	R577-R581 WeakPolarHBondContact O-CD 3.49Å; R577-R581 WeakPolarHBondContact O-CG 3.34Å; R577-R581 PolarHBondContact O-N 3.07Å; R577-R581 PolarHBondContact O-NE 3.43Å
578	V	53.5	Low	54.9	Low	55 Å²	55	80.5 Å²	80.5	33%	0.333	46%	0.461	S	S	.	.	H	α-helix	trans	-72.5	-44.6	175	178	0	0	0	0	110.9	D575 T576 Q580 R581 M582	D575-V578 PolarHBondContact O-N 3.02Å; T576-V578 VanDerWaalsContact C-N 3.25Å; T576-V578 PolarHBondContact O-N 3.24Å; V578-Q580 PolarHBondContact O-N 3.38Å; V578-R581 PolarHBondContact O-N 3.19Å; V578-M582 WeakPolarHBondContact O-CG 3.48Å; V578-M582 PolarHBondContact O-N 3.05Å; V578-M582 VanDerWaalsContact O-N 3.15Å
579	A	52.8	Low	55.7	Low	30 Å²	30	76.2 Å²	76.2	25%	0.248	43%	0.43	C	S	.	.	H	α-helix	trans	-62.4	-40.3	176.9	0	0	0	0	0	113.1	D575 T576 R581 M582 A583	D575-A579 PolarHBondContact O-N 3Å; T576-A579 PolarHBondContact O-N 3.29Å; A579-R581 PolarHBondContact O-N 3.31Å; A579-M582 PolarHBondContact O-N 3.14Å; A579-A583 PolarHBondContact O-N 3.41Å; A579-A583 VanDerWaalsContact O-N 3.07Å
580	Q	57.8	Low	56.5	Low	141 Å²	141	74.7 Å²	74.7	66%	0.659	41%	0.409	S	S	*	.	H	α-helix	trans	-64.3	-37.7	176.2	-167.1	178.2	7.7	0	0	112.3	T576 V578 M582 A583 V584	T576-Q580 WeakPolarHBondContact O-CB 3.46Å; T576-Q580 PolarHBondContact O-N 3.32Å; V578-Q580 PolarHBondContact O-N 3.38Å; Q580-M582 VanDerWaalsContact C-N 3.35Å; Q580-A583 PolarHBondContact O-N 2.88Å; Q580-V584 PolarHBondContact O-N 3.16Å
581	R	61	Low	57.3	Low	113 Å²	113	73.2 Å²	73.2	43%	0.426	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-35.8	176	-71	162.8	-170	177.9	2.6	112.6	R577 V578 A579 F637	R577-R581 WeakPolarHBondContact O-CD 3.49Å; R577-R581 WeakPolarHBondContact O-CG 3.34Å; R577-R581 PolarHBondContact O-N 3.07Å; R577-R581 PolarHBondContact O-NE 3.43Å; V578-R581 PolarHBondContact O-N 3.19Å; A579-R581 PolarHBondContact O-N 3.31Å; R581-F637 HydrophobicContact CG-CB 4.3Å; R581-F637 HydrophobicContact CG-CD1 4.13Å; R581-F637 HydrophobicContact CG-CG 4.47Å
582	M	56.1	Low	58.1	Low	29 Å²	29	67.9 Å²	67.9	14%	0.143	36%	0.357	C	S	.	.	H	α-helix	trans	-73.1	-33.1	176.9	-68.1	-166.9	74.6	0	0	112.9	I471 R475 Y557 V578 A579 Q580 V584 L585 I586	I471-M582 HydrophobicContact CG2-CE 4.29Å; R475-M582 HydrophobicContact CB-CE 3.63Å; R475-M582 HydrophobicContact CB-SD 4.06Å; R475-M582 HydrophobicContact CG-CE 3.24Å; R475-M582 HydrophobicContact CG-SD 3.87Å; Y557-M582 HydrophobicContact CE1-CB 4.07Å; Y557-M582 WeakPolarHBondContact OH-CB 3.38Å; Y557-M582 VanDerWaalsContact OH-CE 3.26Å; Y557-M582 WeakPolarHBondContact OH-CE 3.49Å; V578-M582 WeakPolarHBondContact O-CG 3.48Å; V578-M582 PolarHBondContact O-N 3.05Å; V578-M582 VanDerWaalsContact O-N 3.15Å; A579-M582 PolarHBondContact O-N 3.14Å; Q580-M582 VanDerWaalsContact C-N 3.35Å; M582-V584 VanDerWaalsContact C-N 3.33Å; M582-V584 PolarHBondContact O-N 2.96Å; M582-L585 PolarHBondContact O-N 3.39Å; M582-I586 WeakPolarHBondContact O-CD1 3.13Å; M582-I586 PolarHBondContact O-N 3.45Å
583	A	57.3	Low	58.6	Low	45 Å²	45	67.8 Å²	67.8	37%	0.372	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-33.5	174.9	0	0	0	0	0	112.9	A579 Q580 I586 F587	A579-A583 PolarHBondContact O-N 3.41Å; A579-A583 VanDerWaalsContact O-N 3.07Å; Q580-A583 PolarHBondContact O-N 2.88Å; A583-I586 PolarHBondContact O-N 3.07Å; A583-F587 WeakPolarHBondContact O-CB 3.29Å; A583-F587 PolarHBondContact O-N 3Å
584	V	63.5	Low	59.5	Low	67 Å²	67	62.1 Å²	62.1	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-40.3	176.2	173	0	0	0	0	111.9	Q580 M582 I586 T588 L633	Q580-V584 PolarHBondContact O-N 3.16Å; M582-V584 VanDerWaalsContact C-N 3.33Å; M582-V584 PolarHBondContact O-N 2.96Å; V584-I586 PolarHBondContact O-N 3.08Å; V584-T588 WeakPolarHBondContact O-CB 3.17Å; V584-T588 WeakPolarHBondContact O-CG2 3.36Å; V584-T588 PolarHBondContact O-N 3.16Å; V584-T588 PolarHBondContact O-OG1 3.05Å; V584-L633 HydrophobicContact CG1-CD2 4.26Å
585	L	60.4	Low	60.3	Low	26 Å²	26	60.4 Å²	60.4	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-25.8	178.4	-158.8	144.4	0	0	0	112.1	L468 M582 T588 D589 L633 Y634	L468-L585 HydrophobicContact CD1-CD2 3.32Å; M582-L585 PolarHBondContact O-N 3.39Å; L585-T588 VanDerWaalsContact C-OG1 3.28Å; L585-T588 WeakPolarHBondContact CA-OG1 3.06Å; L585-T588 PolarHBondContact O-OG1 2.69Å; L585-D589 PolarHBondContact O-N 2.8Å; L585-L633 HydrophobicContact CB-CD1 4.02Å; L585-L633 HydrophobicContact CD1-CB 4.02Å; L585-L633 HydrophobicContact CD1-CD1 3.85Å; L585-L633 HydrophobicContact CG-CD1 3.63Å; L585-Y634 HydrophobicContact CD1-CE1 3.76Å
586	I	60.2	Low	60.9	Low	18 Å²	18	56.1 Å²	56.1	9%	0.092	29%	0.291	C	S	.	.	H	α-helix	trans	-92.6	-38	-178.4	-69.6	161.8	0	0	0	112.3	T472 V553 Y557 M582 A583 V584 T588 D589 F590	T472-I586 HydrophobicContact CG2-CD1 3.66Å; T472-I586 HydrophobicContact CG2-CG1 4.21Å; V553-I586 HydrophobicContact CG1-CB 4.38Å; V553-I586 HydrophobicContact CG1-CD1 3.82Å; V553-I586 HydrophobicContact CG1-CG1 4.07Å; V553-I586 HydrophobicContact CG1-CG2 3.44Å; V553-I586 VanDerWaalsContact CG1-CG2 3.44Å; Y557-I586 HydrophobicContact CD2-CD1 3.56Å; Y557-I586 HydrophobicContact CE1-CD1 3.92Å; Y557-I586 HydrophobicContact CE2-CD1 2.86Å; Y557-I586 HydrophobicContact CE2-CG1 4.32Å; Y557-I586 HydrophobicContact CG-CD1 4.36Å; Y557-I586 WeakPolarHBondContact OH-CD1 3.46Å; M582-I586 WeakPolarHBondContact O-CD1 3.13Å; M582-I586 PolarHBondContact O-N 3.45Å; A583-I586 PolarHBondContact O-N 3.07Å; V584-I586 PolarHBondContact O-N 3.08Å; I586-T588 PolarHBondContact O-N 2.87Å; I586-D589 PolarHBondContact O-N 3.46Å; I586-F590 WeakPolarHBondContact O-CB 3.3Å; I586-F590 PolarHBondContact O-N 3.48Å
587	F	64.8	Low	61.6	Low	141 Å²	141	54.9 Å²	54.9	62%	0.618	28%	0.284	S	S	*	.	H	α-helix	trans	-62.9	-37.8	172.9	-175.3	-99.4	0	0	0	110.6	A583 V591	A583-F587 WeakPolarHBondContact O-CB 3.29Å; A583-F587 PolarHBondContact O-N 3Å; F587-V591 HydrophobicContact CD1-CG2 4.06Å; F587-V591 HydrophobicContact CE1-CG2 3.68Å; F587-V591 HydrophobicContact CE2-CG2 4.17Å; F587-V591 HydrophobicContact CG-CG2 4.48Å; F587-V591 HydrophobicContact CZ-CG2 3.74Å; F587-V591 WeakPolarHBondContact O-CB 3.41Å; F587-V591 WeakPolarHBondContact O-CG2 3.45Å; F587-V591 PolarHBondContact O-N 3.21Å
588	T	66.6	Low	62.4	Low	41 Å²	41	53.2 Å²	53.2	25%	0.252	28%	0.281	S	S	.	.	H	α-helix	trans	-65.4	-43.9	173.8	43.8	0	0	0	0	112	V584 L585 I586 C592	V584-T588 WeakPolarHBondContact O-CB 3.17Å; V584-T588 WeakPolarHBondContact O-CG2 3.36Å; V584-T588 PolarHBondContact O-N 3.16Å; V584-T588 PolarHBondContact O-OG1 3.05Å; L585-T588 VanDerWaalsContact C-OG1 3.28Å; L585-T588 WeakPolarHBondContact CA-OG1 3.06Å; L585-T588 PolarHBondContact O-OG1 2.69Å; I586-T588 PolarHBondContact O-N 2.87Å; T588-C592 WeakPolarHBondContact O-CB 3.41Å; T588-C592 PolarHBondContact O-N 3.46Å; T588-C592 PolarHBondContact O-SG 3.39Å
589	D	63.2	Low	62.9	Low	19 Å²	19	52.2 Å²	52.2	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-46.3	173	-176.2	76.3	0	0	0	112.8	L468 L585 I586 C592 M593 N626	L468-D589 HydrophobicContact CD2-CB 3.63Å; L468-D589 WeakPolarHBondContact CD2-OD1 3.42Å; L468-D589 VanDerWaalsContact CD2-OD2 3.29Å; L468-D589 WeakPolarHBondContact CD2-OD2 3Å; L585-D589 PolarHBondContact O-N 2.8Å; I586-D589 PolarHBondContact O-N 3.46Å; D589-C592 WeakPolarHBondContact O-CB 3.41Å; D589-C592 PolarHBondContact O-N 3.42Å; D589-M593 WeakPolarHBondContact O-CB 3.5Å; D589-M593 WeakPolarHBondContact O-CG 3.42Å; D589-M593 PolarHBondContact O-N 3.01Å; D589-N626 PolarHBondContact OD1-ND2 2.88Å
590	F	65.7	Low	63.3	Low	76 Å²	76	51.1 Å²	51.1	33%	0.333	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-46.8	177.8	172.7	-112.2	0	0	0	113	F550 I586 C592 M593 A594	F550-F590 HydrophobicContact CD1-CD2 4.42Å; F550-F590 HydrophobicContact CD1-CE2 4.28Å; F550-F590 HydrophobicContact CD2-CB 4.17Å; F550-F590 AromaticContact CD2-CD2 3.34Å; F550-F590 HydrophobicContact CD2-CD2 3.34Å; F550-F590 AromaticContact CD2-CE2 3.99Å; F550-F590 HydrophobicContact CD2-CE2 3.99Å; F550-F590 HydrophobicContact CD2-CG 4.04Å; F550-F590 HydrophobicContact CE1-CD2 4.09Å; F550-F590 AromaticContact CE1-CE2 3.73Å; F550-F590 HydrophobicContact CE1-CE2 3.73Å; F550-F590 HydrophobicContact CE1-CZ 4.49Å; F550-F590 HydrophobicContact CE2-CB 3.79Å; F550-F590 HydrophobicContact CE2-CD1 4.26Å; F550-F590 AromaticContact CE2-CD2 2.93Å; F550-F590 HydrophobicContact CE2-CD2 2.93Å; F550-F590 AromaticContact CE2-CE2 3.43Å; F550-F590 HydrophobicContact CE2-CE2 3.43Å; F550-F590 VanDerWaalsContact CE2-CE2 3.43Å; F550-F590 AromaticContact CE2-CG 3.39Å; F550-F590 HydrophobicContact CE2-CG 3.39Å; F550-F590 HydrophobicContact CE2-CZ 4.27Å; F550-F590 HydrophobicContact CG-CD2 4.07Å; F550-F590 HydrophobicContact CG-CE2 4.38Å; F550-F590 AromaticContact CZ-CD2 3.34Å; F550-F590 HydrophobicContact CZ-CD2 3.34Å; F550-F590 HydrophobicContact CZ-CE1 4.48Å; F550-F590 AromaticContact CZ-CE2 3.25Å; F550-F590 HydrophobicContact CZ-CE2 3.25Å; F550-F590 AromaticContact CZ-CG 3.98Å; F550-F590 HydrophobicContact CZ-CG 3.98Å; F550-F590 AromaticContact CZ-CZ 3.87Å; F550-F590 HydrophobicContact CZ-CZ 3.87Å; I586-F590 WeakPolarHBondContact O-CB 3.3Å; I586-F590 PolarHBondContact O-N 3.48Å; F590-C592 PolarHBondContact O-N 2.92Å; F590-M593 PolarHBondContact O-N 3.13Å; F590-M593 VanDerWaalsContact O-N 3.15Å; F590-A594 HydrophobicContact CD2-CB 4.24Å; F590-A594 HydrophobicContact CE2-CB 3.91Å; F590-A594 HydrophobicContact CZ-CB 4.08Å; F590-A594 VanDerWaalsContact O-CB 3.25Å; F590-A594 WeakPolarHBondContact O-CB 3.28Å; F590-A594 PolarHBondContact O-N 3.09Å
591	V	66.5	Low	63.8	Low	60 Å²	60	47.2 Å²	47.2	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-31.9	177.2	169.8	0	0	0	0	110.7	F587 P595	F587-V591 HydrophobicContact CD1-CG2 4.06Å; F587-V591 HydrophobicContact CE1-CG2 3.68Å; F587-V591 HydrophobicContact CE2-CG2 4.17Å; F587-V591 HydrophobicContact CG-CG2 4.48Å; F587-V591 HydrophobicContact CZ-CG2 3.74Å; F587-V591 WeakPolarHBondContact O-CB 3.41Å; F587-V591 WeakPolarHBondContact O-CG2 3.45Å; F587-V591 PolarHBondContact O-N 3.21Å; V591-P595 VanDerWaalsContact O-CD 3.25Å; V591-P595 WeakPolarHBondContact O-CD 3.17Å
592	C	65.7	Low	64.2	Low	5 Å²	5	42.4 Å²	42.4	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-39.4	174.5	-68.3	0	0	0	0	112.5	T588 D589 F590 I596 F622 I625 N626	T588-C592 WeakPolarHBondContact O-CB 3.41Å; T588-C592 PolarHBondContact O-N 3.46Å; T588-C592 PolarHBondContact O-SG 3.39Å; D589-C592 WeakPolarHBondContact O-CB 3.41Å; D589-C592 PolarHBondContact O-N 3.42Å; F590-C592 PolarHBondContact O-N 2.92Å; C592-I596 WeakPolarHBondContact O-CD1 3.35Å; C592-F622 VanDerWaalsContact CB-O 3.29Å; C592-F622 WeakPolarHBondContact CB-O 3.39Å; C592-I625 VanDerWaalsContact SG-CG2 3.55Å; C592-N626 HydrophobicContact CB-CB 4.23Å
593	M	63.8	Low	64.6	Low	30 Å²	30	42.3 Å²	42.3	15%	0.148	24%	0.236	C	C	.	.	H	α-helix	trans	-90	-24.9	-172.5	-69.6	-60.1	-129	0	0	115.5	V465 D589 F590 I596 S597	V465-M593 HydrophobicContact CG2-CE 3.24Å; D589-M593 WeakPolarHBondContact O-CB 3.5Å; D589-M593 WeakPolarHBondContact O-CG 3.42Å; D589-M593 PolarHBondContact O-N 3.01Å; F590-M593 PolarHBondContact O-N 3.13Å; F590-M593 VanDerWaalsContact O-N 3.15Å; M593-I596 PolarHBondContact O-N 3.47Å; M593-I596 HydrophobicContact SD-CD1 4.17Å; M593-S597 PolarHBondContact O-N 2.92Å; M593-S597 PolarHBondContact O-OG 3.06Å
594	A	65.9	Low	64.9	Low	34 Å²	34	40.8 Å²	40.8	28%	0.281	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-43.8	-176.9	0	0	0	0	0	113.9	F590 I596 S597 F598	F590-A594 HydrophobicContact CD2-CB 4.24Å; F590-A594 HydrophobicContact CE2-CB 3.91Å; F590-A594 HydrophobicContact CZ-CB 4.08Å; F590-A594 VanDerWaalsContact O-CB 3.25Å; F590-A594 WeakPolarHBondContact O-CB 3.28Å; F590-A594 PolarHBondContact O-N 3.09Å; A594-I596 PolarHBondContact O-N 3.01Å; A594-S597 PolarHBondContact O-N 3.14Å; A594-F598 WeakPolarHBondContact O-CB 3.08Å; A594-F598 PolarHBondContact O-N 3.22Å
595	P	64.6	Low	65.4	Low	32 Å²	32	43.2 Å²	43.2	21%	0.208	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-44.7	176.5	-22.5	34.1	0	0	0	112	V591 S597 F598 F599	V591-P595 VanDerWaalsContact O-CD 3.25Å; V591-P595 WeakPolarHBondContact O-CD 3.17Å; P595-S597 PolarHBondContact O-N 3.04Å; P595-F598 PolarHBondContact O-N 2.82Å; P595-F599 HydrophobicContact CB-CE2 3.97Å; P595-F599 WeakPolarHBondContact O-CD2 3.43Å; P595-F599 VanDerWaalsContact O-CE2 3.28Å; P595-F599 WeakPolarHBondContact O-CE2 3.02Å; P595-F599 PolarHBondContact O-N 3.45Å
596	I	64.3	Low	65.7	Low	19 Å²	19	49.5 Å²	49.5	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-45.2	-178.8	-62.1	134.7	0	0	0	110.9	C592 M593 A594 F598 F599 A600 L619 Y623	C592-I596 WeakPolarHBondContact O-CD1 3.35Å; M593-I596 PolarHBondContact O-N 3.47Å; M593-I596 HydrophobicContact SD-CD1 4.17Å; A594-I596 PolarHBondContact O-N 3.01Å; I596-F598 VanDerWaalsContact C-N 3.34Å; I596-F598 PolarHBondContact O-N 2.88Å; I596-F599 PolarHBondContact O-N 2.98Å; I596-A600 WeakPolarHBondContact O-CB 3.47Å; I596-A600 PolarHBondContact O-N 3.37Å; I596-L619 HydrophobicContact CG1-CD2 4.2Å; I596-L619 HydrophobicContact CG2-CD2 4.19Å; I596-Y623 HydrophobicContact CD1-CD2 3.58Å; I596-Y623 HydrophobicContact CD1-CG 4.15Å; I596-Y623 HydrophobicContact CG1-CD2 3.99Å; I596-Y623 HydrophobicContact CG2-CD2 4.18Å; I596-Y623 HydrophobicContact CG2-CE2 4.47Å
597	S	66.7	Low	65.9	Low	21 Å²	21	54.3 Å²	54.3	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-41.1	-179.7	-57	0	0	0	0	111.3	M593 A594 P595 V601	M593-S597 PolarHBondContact O-N 2.92Å; M593-S597 PolarHBondContact O-OG 3.06Å; A594-S597 PolarHBondContact O-N 3.14Å; P595-S597 PolarHBondContact O-N 3.04Å; S597-V601 WeakPolarHBondContact O-CB 3.44Å; S597-V601 VanDerWaalsContact O-CG2 3.24Å; S597-V601 WeakPolarHBondContact O-CG2 3.44Å; S597-V601 PolarHBondContact O-N 3.03Å; S597-V601 VanDerWaalsContact O-N 3.11Å
598	F	69.3	Low	65.7	Low	115 Å²	115	52.2 Å²	52.2	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-50.4	175.6	178.2	-99.4	0	0	0	112.1	A594 P595 I596 A600 V601 S602 L609	A594-F598 WeakPolarHBondContact O-CB 3.08Å; A594-F598 PolarHBondContact O-N 3.22Å; P595-F598 PolarHBondContact O-N 2.82Å; I596-F598 VanDerWaalsContact C-N 3.34Å; I596-F598 PolarHBondContact O-N 2.88Å; F598-A600 PolarHBondContact O-N 3.29Å; F598-V601 PolarHBondContact O-N 3.43Å; F598-S602 PolarHBondContact O-N 2.65Å; F598-S602 PolarHBondContact O-OG 2.82Å; F598-S602 VanDerWaalsContact O-OG 3.08Å; F598-L609 HydrophobicContact CE1-CD1 4.32Å; F598-L609 HydrophobicContact CZ-CD1 3.91Å
599	F	64.6	Low	65.3	Low	35 Å²	35	56.2 Å²	56.2	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-39.2	-178.8	-64.9	-54.9	0	0	0	113.4	P595 I596 V601 S602 A603 I610 L618	P595-F599 HydrophobicContact CB-CE2 3.97Å; P595-F599 WeakPolarHBondContact O-CD2 3.43Å; P595-F599 VanDerWaalsContact O-CE2 3.28Å; P595-F599 WeakPolarHBondContact O-CE2 3.02Å; P595-F599 PolarHBondContact O-N 3.45Å; I596-F599 PolarHBondContact O-N 2.98Å; F599-V601 VanDerWaalsContact C-N 3.27Å; F599-V601 PolarHBondContact O-N 3.38Å; F599-S602 PolarHBondContact O-N 3.22Å; F599-A603 WeakPolarHBondContact O-CB 3.49Å; F599-A603 PolarHBondContact O-N 3.22Å; F599-I610 HydrophobicContact CD1-CB 4.34Å; F599-I610 HydrophobicContact CD1-CD1 4.45Å; F599-I610 HydrophobicContact CD1-CG1 4.48Å; F599-I610 HydrophobicContact CE1-CB 4.01Å; F599-I610 HydrophobicContact CE1-CD1 3.35Å; F599-I610 HydrophobicContact CE1-CG1 3.75Å; F599-I610 HydrophobicContact CZ-CD1 3.66Å; F599-L618 HydrophobicContact CD2-CD1 4.16Å; F599-L618 HydrophobicContact CE2-CB 4.29Å; F599-L618 HydrophobicContact CE2-CD1 3.16Å; F599-L618 HydrophobicContact CE2-CG 4.27Å; F599-L618 HydrophobicContact CZ-CD1 3.38Å
600	A	62.2	Low	65.1	Low	7 Å²	7	58.7 Å²	58.7	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-68.6	-32.7	-178.3	0	0	0	0	0	111	L543 I596 F598 A604	L543-A600 HydrophobicContact CD1-CB 3.24Å; L543-A600 HydrophobicContact CD2-CB 3.34Å; L543-A600 HydrophobicContact CG-CB 3.88Å; I596-A600 WeakPolarHBondContact O-CB 3.47Å; I596-A600 PolarHBondContact O-N 3.37Å; F598-A600 PolarHBondContact O-N 3.29Å; A600-A604 WeakPolarHBondContact O-CB 3.49Å; A600-A604 PolarHBondContact O-N 2.61Å
601	V	67.8	Low	64.8	Low	59 Å²	59	58.7 Å²	58.7	36%	0.358	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-45.2	168.1	172.1	0	0	0	0	111.8	S597 F598 F599 A603 A604 L605	S597-V601 WeakPolarHBondContact O-CB 3.44Å; S597-V601 VanDerWaalsContact O-CG2 3.24Å; S597-V601 WeakPolarHBondContact O-CG2 3.44Å; S597-V601 PolarHBondContact O-N 3.03Å; S597-V601 VanDerWaalsContact O-N 3.11Å; F598-V601 PolarHBondContact O-N 3.43Å; F599-V601 VanDerWaalsContact C-N 3.27Å; F599-V601 PolarHBondContact O-N 3.38Å; V601-A603 VanDerWaalsContact C-N 3.3Å; V601-A603 PolarHBondContact O-N 2.85Å; V601-A604 PolarHBondContact O-N 2.84Å; V601-L605 HydrophobicContact CG1-CD1 3.98Å; V601-L605 HydrophobicContact CG1-CG 4.43Å; V601-L605 WeakPolarHBondContact O-CG 3.36Å; V601-L605 PolarHBondContact O-N 3.08Å
602	S	69.5	Low	64.5	Low	12 Å²	12	57.4 Å²	57.4	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-41.1	176.2	-59.4	0	0	0	0	112.5	F598 F599 L605 K606 L607	F598-S602 PolarHBondContact O-N 2.65Å; F598-S602 PolarHBondContact O-OG 2.82Å; F598-S602 VanDerWaalsContact O-OG 3.08Å; F599-S602 PolarHBondContact O-N 3.22Å; S602-L605 PolarHBondContact O-N 3.32Å; S602-K606 PolarHBondContact O-N 3.29Å; S602-L607 WeakPolarHBondContact CB-O 3.34Å; S602-L607 CarbonylContact O-C 3.51Å; S602-L607 PolarHBondContact O-N 2.89Å
603	A	64.4	Low	64.3	Low	26 Å²	26	58.5 Å²	58.5	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-43.1	174.8	0	0	0	0	0	111.9	F599 V601 L605 K606	F599-A603 WeakPolarHBondContact O-CB 3.49Å; F599-A603 PolarHBondContact O-N 3.22Å; V601-A603 VanDerWaalsContact C-N 3.3Å; V601-A603 PolarHBondContact O-N 2.85Å; A603-L605 VanDerWaalsContact C-N 3.28Å; A603-L605 PolarHBondContact O-N 3.11Å; A603-K606 PolarHBondContact O-N 2.75Å
604	A	64.5	Low	64.3	Low	13 Å²	13	61.7 Å²	61.7	11%	0.107	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-31.7	177.1	0	0	0	0	0	113.1	Q536 V540 A600 V601 K606	Q536-A604 PolarHBondContact NE2-O 2.76Å; V540-A604 HydrophobicContact CG2-CB 3.73Å; A600-A604 WeakPolarHBondContact O-CB 3.49Å; A600-A604 PolarHBondContact O-N 2.61Å; V601-A604 PolarHBondContact O-N 2.84Å; A604-K606 PolarHBondContact O-N 2.86Å
605	L	72	Confident	64.1	Low	119 Å²	119	60.6 Å²	60.6	62%	0.623	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	4.1	174.6	-66.6	174.6	0	0	0	113.5	V601 S602 A603 L607	V601-L605 HydrophobicContact CG1-CD1 3.98Å; V601-L605 HydrophobicContact CG1-CG 4.43Å; V601-L605 WeakPolarHBondContact O-CG 3.36Å; V601-L605 PolarHBondContact O-N 3.08Å; S602-L605 PolarHBondContact O-N 3.32Å; A603-L605 VanDerWaalsContact C-N 3.28Å; A603-L605 PolarHBondContact O-N 3.11Å; L605-L607 PolarHBondContact O-N 2.76Å
606	K	66.8	Low	64.3	Low	158 Å²	158	59.4 Å²	59.4	69%	0.687	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	26.5	-175.7	-58.2	-174	176.8	-176.2	0	113.8	S602 A603 A604 P608	S602-K606 PolarHBondContact O-N 3.29Å; A603-K606 PolarHBondContact O-N 2.75Å; A604-K606 PolarHBondContact O-N 2.86Å; K606-P608 VanDerWaalsContact C-CD 3.46Å; K606-P608 WeakPolarHBondContact O-CD 3.44Å
607	L	65.1	Low	64.4	Low	119 Å²	119	62.6 Å²	62.6	62%	0.623	34%	0.341	S	S	*	.			trans	-119.7	72.6	175.5	-69.2	169.6	0	0	0	108.9	S602 L605 L609	S602-L607 WeakPolarHBondContact CB-O 3.34Å; S602-L607 CarbonylContact O-C 3.51Å; S602-L607 PolarHBondContact O-N 2.89Å; L605-L607 PolarHBondContact O-N 2.76Å; L607-L609 PolarHBondContact O-N 2.73Å
608	P	61.6	Low	64.3	Low	97 Å²	97	63.3 Å²	63.3	63%	0.63	34%	0.343	S	S	*	.			trans	-69.6	96.1	-180	29.3	-33.3	0	0	0	109.8	K606 I610	K606-P608 VanDerWaalsContact C-CD 3.46Å; K606-P608 WeakPolarHBondContact O-CD 3.44Å; P608-I610 PolarHBondContact O-N 2.88Å
609	L	57.5	Low	64	Low	125 Å²	125	59.5 Å²	59.5	65%	0.654	33%	0.328	S	S	*	.	S	Bend	trans	-69	-18.1	179.5	-70.3	168.6	0	0	0	113.2	F598 L607	F598-L609 HydrophobicContact CE1-CD1 4.32Å; F598-L609 HydrophobicContact CZ-CD1 3.91Å; L607-L609 PolarHBondContact O-N 2.73Å
610	I	58.6	Low	64	Low	70 Å²	70	58.1 Å²	58.1	36%	0.359	32%	0.322	S	S	.	.	S	Bend	trans	-135.9	144	179	-63.4	-164.3	0	0	0	108.7	F599 P608 D614	F599-I610 HydrophobicContact CD1-CB 4.34Å; F599-I610 HydrophobicContact CD1-CD1 4.45Å; F599-I610 HydrophobicContact CD1-CG1 4.48Å; F599-I610 HydrophobicContact CE1-CB 4.01Å; F599-I610 HydrophobicContact CE1-CD1 3.35Å; F599-I610 HydrophobicContact CE1-CG1 3.75Å; F599-I610 HydrophobicContact CZ-CD1 3.66Å; P608-I610 PolarHBondContact O-N 2.88Å; I610-D614 HydrophobicContact CG2-CB 3.43Å; I610-D614 VanDerWaalsContact CG2-CB 3.43Å
611	T	60.2	Low	64.3	Low	76 Å²	76	59.6 Å²	59.6	47%	0.466	33%	0.328	S	S	.	.			trans	-68.1	150.2	177.3	74.9	0	0	0	0	110.8	S613 D614 A615	T611-S613 PolarHBondContact O-N 3.47Å; T611-D614 PolarHBondContact O-N 3.48Å; T611-D614 VanDerWaalsContact O-N 3.09Å; T611-D614 PolarHBondContact OG1-N 2.83Å; T611-D614 PolarHBondContact OG1-OD2 2.95Å; T611-A615 PolarHBondContact O-N 2.73Å
612	V	60.6	Low	64.3	Low	33 Å²	33	59.7 Å²	59.7	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-34.3	177.7	-177.4	0	0	0	0	110.7	S360 F361 D614 A615 K616	S360-V612 WeakPolarHBondContact O-CB 3.49Å; S360-V612 VanDerWaalsContact O-CG2 3.29Å; S360-V612 WeakPolarHBondContact O-CG2 3.31Å; F361-V612 HydrophobicContact CD1-CG2 3.94Å; F361-V612 HydrophobicContact CE1-CG2 4.17Å; V612-D614 PolarHBondContact O-N 3.25Å; V612-A615 CarbonylContact O-C 3.05Å; V612-A615 PolarHBondContact O-N 2.92Å; V612-K616 WeakPolarHBondContact O-CG 3.44Å; V612-K616 PolarHBondContact O-N 3.42Å
613	S	60.3	Low	64.2	Low	29 Å²	29	60.8 Å²	60.8	20%	0.203	33%	0.327	C	S	.	.	H	α-helix	trans	-57.2	-45.6	174.7	-67	0	0	0	0	112.9	P363 E365 T611 K616	P363-S613 WeakPolarHBondContact CG-OG 3.37Å; E365-S613 PolarHBondContact OE1-OG 3.15Å; T611-S613 PolarHBondContact O-N 3.47Å; S613-K616 WeakPolarHBondContact O-CB 3.41Å; S613-K616 PolarHBondContact O-N 3.08Å
614	D	63.2	Low	64.5	Low	97 Å²	97	59.6 Å²	59.6	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-74.5	-32.8	178.5	-58.9	-41.8	0	0	0	111.4	I610 T611 V612 K616 L617	I610-D614 HydrophobicContact CG2-CB 3.43Å; I610-D614 VanDerWaalsContact CG2-CB 3.43Å; T611-D614 PolarHBondContact O-N 3.48Å; T611-D614 VanDerWaalsContact O-N 3.09Å; T611-D614 PolarHBondContact OG1-N 2.83Å; T611-D614 PolarHBondContact OG1-OD2 2.95Å; V612-D614 PolarHBondContact O-N 3.25Å; D614-K616 VanDerWaalsContact C-N 3.27Å; D614-K616 PolarHBondContact O-N 2.8Å; D614-L617 PolarHBondContact O-N 3.43Å
615	A	63.2	Low	64.9	Low	10 Å²	10	61.1 Å²	61.1	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-67.7	-23.5	173.7	0	0	0	0	0	112.9	T611 V612 L617 L618 L619	T611-A615 PolarHBondContact O-N 2.73Å; V612-A615 CarbonylContact O-C 3.05Å; V612-A615 PolarHBondContact O-N 2.92Å; A615-L617 VanDerWaalsContact C-N 3.27Å; A615-L617 PolarHBondContact O-N 3.43Å; A615-L618 PolarHBondContact O-N 3.39Å; A615-L618 VanDerWaalsContact O-N 3.08Å; A615-L619 HydrophobicContact CB-CD1 4.37Å; A615-L619 WeakPolarHBondContact O-CB 3.43Å; A615-L619 PolarHBondContact O-N 3.29Å
616	K	67.2	Low	64.8	Low	8 Å²	8	56 Å²	56	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-40.6	174.2	-67.1	-176	-177.3	176.6	0	111.5	D366 I367 I524 V612 S613 D614 L618 L619 V620	D366-K616 PolarHBondContact O-NZ 3.28Å; I367-K616 PolarHBondContact O-NZ 2.87Å; I524-K616 HydrophobicContact CD1-CB 4.3Å; I524-K616 HydrophobicContact CD1-CD 4.18Å; I524-K616 HydrophobicContact CD1-CG 3.83Å; V612-K616 WeakPolarHBondContact O-CG 3.44Å; V612-K616 PolarHBondContact O-N 3.42Å; S613-K616 WeakPolarHBondContact O-CB 3.41Å; S613-K616 PolarHBondContact O-N 3.08Å; D614-K616 VanDerWaalsContact C-N 3.27Å; D614-K616 PolarHBondContact O-N 2.8Å; K616-L618 VanDerWaalsContact C-N 3.26Å; K616-L618 PolarHBondContact O-N 2.83Å; K616-L619 PolarHBondContact O-N 2.69Å; K616-V620 VanDerWaalsContact O-CB 3.28Å; K616-V620 WeakPolarHBondContact O-CB 3.47Å; K616-V620 WeakPolarHBondContact O-CG2 3.46Å; K616-V620 PolarHBondContact O-N 2.81Å
617	L	66.6	Low	65.2	Low	86 Å²	86	48.8 Å²	48.8	45%	0.45	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-43.8	176.6	-175.7	72	0	0	0	110.4	L373 D614 A615 L621	L373-L617 HydrophobicContact CD1-CD1 4.15Å; D614-L617 PolarHBondContact O-N 3.43Å; A615-L617 VanDerWaalsContact C-N 3.27Å; A615-L617 PolarHBondContact O-N 3.43Å; L617-L621 WeakPolarHBondContact O-CB 3.4Å; L617-L621 PolarHBondContact O-N 3.28Å; L617-L621 VanDerWaalsContact O-N 3.08Å
618	L	64.6	Low	65.8	Low	36 Å²	36	43.7 Å²	43.7	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-72.3	-40.5	-177.5	-61.1	169.8	0	0	0	111.7	F599 A615 K616 F622	F599-L618 HydrophobicContact CD2-CD1 4.16Å; F599-L618 HydrophobicContact CE2-CB 4.29Å; F599-L618 HydrophobicContact CE2-CD1 3.16Å; F599-L618 HydrophobicContact CE2-CG 4.27Å; F599-L618 HydrophobicContact CZ-CD1 3.38Å; A615-L618 PolarHBondContact O-N 3.39Å; A615-L618 VanDerWaalsContact O-N 3.08Å; K616-L618 VanDerWaalsContact C-N 3.26Å; K616-L618 PolarHBondContact O-N 2.83Å; L618-F622 HydrophobicContact CB-CD2 4.48Å; L618-F622 HydrophobicContact CD2-CD2 3.71Å; L618-F622 HydrophobicContact CD2-CE2 3.6Å; L618-F622 WeakPolarHBondContact O-CB 3.46Å; L618-F622 PolarHBondContact O-N 3.26Å
619	L	64.3	Low	66.6	Low	35 Å²	35	40.8 Å²	40.8	18%	0.183	22%	0.222	C	C	.	.	H	α-helix	trans	-74.7	-23.7	179.2	-84.7	154.9	0	0	0	114.5	L526 I596 A615 K616 Y623	L526-L619 HydrophobicContact CD1-CD1 4.44Å; L526-L619 HydrophobicContact CD1-CD2 3.78Å; I596-L619 HydrophobicContact CG1-CD2 4.2Å; I596-L619 HydrophobicContact CG2-CD2 4.19Å; A615-L619 HydrophobicContact CB-CD1 4.37Å; A615-L619 WeakPolarHBondContact O-CB 3.43Å; A615-L619 PolarHBondContact O-N 3.29Å; K616-L619 PolarHBondContact O-N 2.69Å; L619-Y623 HydrophobicContact CD2-CD2 4.3Å; L619-Y623 WeakPolarHBondContact O-CB 3.41Å
620	V	65	Low	67.3	Low	6 Å²	6	34.9 Å²	34.9	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-96.4	-27.5	179.4	173.6	0	0	0	0	111	M368 L373 I377 I524 K616 P624	M368-V620 HydrophobicContact CE-CG2 3.57Å; M368-V620 HydrophobicContact SD-CB 4.32Å; M368-V620 HydrophobicContact SD-CG1 4.02Å; M368-V620 HydrophobicContact SD-CG2 3.62Å; L373-V620 HydrophobicContact CD1-CB 3.87Å; L373-V620 HydrophobicContact CD1-CG1 3.57Å; L373-V620 HydrophobicContact CD2-CB 4.26Å; L373-V620 HydrophobicContact CD2-CG1 4.35Å; L373-V620 HydrophobicContact CD2-CG2 4.44Å; L373-V620 HydrophobicContact CG-CB 4.34Å; L373-V620 HydrophobicContact CG-CG1 3.96Å; I377-V620 HydrophobicContact CB-CG1 4.23Å; I377-V620 HydrophobicContact CD1-CG1 4.07Å; I377-V620 HydrophobicContact CG1-CG1 4.23Å; I524-V620 HydrophobicContact CD1-CG2 4.17Å; K616-V620 VanDerWaalsContact O-CB 3.28Å; K616-V620 WeakPolarHBondContact O-CB 3.47Å; K616-V620 WeakPolarHBondContact O-CG2 3.46Å; K616-V620 PolarHBondContact O-N 2.81Å; V620-P624 WeakPolarHBondContact O-CD 3.29Å; V620-P624 VanDerWaalsContact O-CG 3.31Å; V620-P624 WeakPolarHBondContact O-CG 3.01Å
621	L	66.9	Low	68.2	Low	37 Å²	37	31.9 Å²	31.9	19%	0.194	18%	0.176	C	C	.	.	H	α-helix	trans	-91.1	-57.9	179.7	-156.7	124.2	0	0	0	111.5	L376 L617 P624 I625	L376-L621 HydrophobicContact CD1-CD1 3.5Å; L617-L621 WeakPolarHBondContact O-CB 3.4Å; L617-L621 PolarHBondContact O-N 3.28Å; L617-L621 VanDerWaalsContact O-N 3.08Å; L621-P624 WeakPolarHBondContact O-CD 3.07Å; L621-I625 HydrophobicContact CD2-CD1 3.56Å; L621-I625 HydrophobicContact CG-CD1 3.89Å; L621-I625 WeakPolarHBondContact O-CB 3.36Å; L621-I625 WeakPolarHBondContact O-CD1 3.45Å; L621-I625 WeakPolarHBondContact O-CG1 3.48Å; L621-I625 PolarHBondContact O-N 3.18Å
622	F	69.2	Low	68.6	Low	62 Å²	62	32.6 Å²	32.6	27%	0.272	17%	0.173	S	C	.	.	H	α-helix	trans	-79.2	-36.3	-172.9	-68.9	-80.2	0	0	0	113.4	C592 L618 P624 I625	C592-F622 VanDerWaalsContact CB-O 3.29Å; C592-F622 WeakPolarHBondContact CB-O 3.39Å; L618-F622 HydrophobicContact CB-CD2 4.48Å; L618-F622 HydrophobicContact CD2-CD2 3.71Å; L618-F622 HydrophobicContact CD2-CE2 3.6Å; L618-F622 WeakPolarHBondContact O-CB 3.46Å; L618-F622 PolarHBondContact O-N 3.26Å; F622-P624 VanDerWaalsContact C-N 3.35Å; F622-I625 PolarHBondContact O-N 2.6Å
623	Y	67.4	Low	69	Low	34 Å²	34	32.2 Å²	32.2	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-56.7	-39.9	-179.4	-169.2	-96.1	0	0	0	113.3	M419 T457 S461 I596 L619	M419-Y623 HydrophobicContact CE-CD1 3.39Å; M419-Y623 HydrophobicContact CE-CE1 3.53Å; M419-Y623 HydrophobicContact SD-CD1 4.36Å; M419-Y623 HydrophobicContact SD-CE1 3.98Å; T457-Y623 VanDerWaalsContact OG1-CE1 3.31Å; T457-Y623 WeakPolarHBondContact OG1-CE1 3.36Å; T457-Y623 PolarHBondContact OG1-OH 3.42Å; S461-Y623 WeakPolarHBondContact CB-OH 3.48Å; S461-Y623 PolarHBondContact OG-OH 3.22Å; S461-Y623 VanDerWaalsContact OG-OH 3.12Å; I596-Y623 HydrophobicContact CD1-CD2 3.58Å; I596-Y623 HydrophobicContact CD1-CG 4.15Å; I596-Y623 HydrophobicContact CG1-CD2 3.99Å; I596-Y623 HydrophobicContact CG2-CD2 4.18Å; I596-Y623 HydrophobicContact CG2-CE2 4.47Å; L619-Y623 HydrophobicContact CD2-CD2 4.3Å; L619-Y623 WeakPolarHBondContact O-CB 3.41Å
624	P	70.1	Confident	69.3	Low	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-103.9	-5.9	-179.7	0.3	23.4	0	0	0	115.1	I380 M419 L423 V620 L621 F622 N626 S627 C628	I380-P624 HydrophobicContact CG2-CB 4.18Å; M419-P624 HydrophobicContact CE-CB 3.73Å; M419-P624 HydrophobicContact CE-CG 3.72Å; M419-P624 HydrophobicContact CG-CB 4.3Å; L423-P624 HydrophobicContact CD1-CB 3.57Å; L423-P624 HydrophobicContact CD1-CG 3.91Å; L423-P624 HydrophobicContact CD2-CB 4.29Å; L423-P624 HydrophobicContact CD2-CG 3.75Å; L423-P624 HydrophobicContact CG-CB 4.29Å; L423-P624 HydrophobicContact CG-CG 4.3Å; V620-P624 WeakPolarHBondContact O-CD 3.29Å; V620-P624 VanDerWaalsContact O-CG 3.31Å; V620-P624 WeakPolarHBondContact O-CG 3.01Å; L621-P624 WeakPolarHBondContact O-CD 3.07Å; F622-P624 VanDerWaalsContact C-N 3.35Å; P624-N626 PolarHBondContact O-N 3.39Å; P624-S627 PolarHBondContact O-N 3.21Å; P624-S627 VanDerWaalsContact O-N 3.13Å; P624-C628 PolarHBondContact O-N 2.98Å
625	I	72.6	Confident	69.1	Low	46 Å²	46	28.4 Å²	28.4	24%	0.236	15%	0.15	C	C	.	.	H	α-helix	trans	-57.8	-35.4	179	-90	164.9	0	0	0	111.2	C592 L621 F622 S627 C628 S629	C592-I625 VanDerWaalsContact SG-CG2 3.55Å; L621-I625 HydrophobicContact CD2-CD1 3.56Å; L621-I625 HydrophobicContact CG-CD1 3.89Å; L621-I625 WeakPolarHBondContact O-CB 3.36Å; L621-I625 WeakPolarHBondContact O-CD1 3.45Å; L621-I625 WeakPolarHBondContact O-CG1 3.48Å; L621-I625 PolarHBondContact O-N 3.18Å; F622-I625 PolarHBondContact O-N 2.6Å; I625-S627 PolarHBondContact O-N 3.09Å; I625-C628 PolarHBondContact O-N 2.78Å; I625-S629 VanDerWaalsContact O-CB 3.31Å; I625-S629 WeakPolarHBondContact O-CB 3.46Å; I625-S629 PolarHBondContact O-N 2.92Å; I625-S629 PolarHBondContact O-OG 2.89Å
626	N	70.2	Confident	68.9	Low	11 Å²	11	33.7 Å²	33.7	6%	0.059	17%	0.172	C	C	.	.	H	α-helix	trans	-56.6	-50.7	176.2	-170.6	40.4	0	0	0	111.4	D589 C592 P624 C628 S629 N630	D589-N626 PolarHBondContact OD1-ND2 2.88Å; C592-N626 HydrophobicContact CB-CB 4.23Å; P624-N626 PolarHBondContact O-N 3.39Å; N626-C628 VanDerWaalsContact C-N 3.31Å; N626-C628 PolarHBondContact O-N 3Å; N626-S629 PolarHBondContact O-N 2.98Å; N626-S629 VanDerWaalsContact O-N 3.12Å; N626-N630 PolarHBondContact O-N 3.49Å; N626-N630 VanDerWaalsContact O-N 3.11Å; N626-N630 PolarHBondContact O-ND2 3.01Å; N626-N630 PolarHBondContact O-OD1 3.34Å
627	S	75.9	Confident	68.5	Low	7 Å²	7	38.2 Å²	38.2	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-32.5	178.8	-59.5	0	0	0	0	113.9	N388 D416 P624 I625	N388-S627 PolarHBondContact ND2-O 3.06Å; D416-S627 VanDerWaalsContact CG-CA 3.45Å; D416-S627 VanDerWaalsContact CG-CB 3.49Å; D416-S627 WeakPolarHBondContact OD1-CA 3.37Å; D416-S627 VanDerWaalsContact OD1-CB 3.23Å; D416-S627 WeakPolarHBondContact OD1-CB 3.12Å; D416-S627 PolarHBondContact OD1-OG 2.98Å; P624-S627 PolarHBondContact O-N 3.21Å; P624-S627 VanDerWaalsContact O-N 3.13Å; I625-S627 PolarHBondContact O-N 3.09Å
628	C	77	Confident	68.5	Low	12 Å²	12	36.2 Å²	36.2	8%	0.081	18%	0.183	C	C	.	.	H	α-helix	trans	-75.6	-32.6	174.8	-180	0	0	0	0	112.5	I380 L383 P624 I625 N626 F632	I380-C628 HydrophobicContact CG2-CB 4.2Å; L383-C628 WeakPolarHBondContact CB-SG 3.2Å; P624-C628 PolarHBondContact O-N 2.98Å; I625-C628 PolarHBondContact O-N 2.78Å; N626-C628 VanDerWaalsContact C-N 3.31Å; N626-C628 PolarHBondContact O-N 3Å; C628-F632 WeakPolarHBondContact O-CD2 3.1Å; C628-F632 WeakPolarHBondContact O-CE2 3.45Å
629	S	77.3	Confident	68.5	Low	35 Å²	35	39.1 Å²	39.1	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-81.1	-30.6	-173.9	-58.7	0	0	0	0	112.6	I625 N626 F632 L633	I625-S629 VanDerWaalsContact O-CB 3.31Å; I625-S629 WeakPolarHBondContact O-CB 3.46Å; I625-S629 PolarHBondContact O-N 2.92Å; I625-S629 PolarHBondContact O-OG 2.89Å; N626-S629 PolarHBondContact O-N 2.98Å; N626-S629 VanDerWaalsContact O-N 3.12Å; S629-F632 WeakPolarHBondContact O-CB 3.39Å; S629-F632 PolarHBondContact O-N 3.31Å; S629-L633 WeakPolarHBondContact O-CG 3.22Å; S629-L633 PolarHBondContact O-N 2.88Å
630	N	73.6	Confident	68.7	Low	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-51.8	-49.9	-176.7	-75	-23.5	0	0	0	114	D416 N626 F632 L633 Y634	D416-N630 PolarHBondContact OD2-ND2 2.91Å; N626-N630 PolarHBondContact O-N 3.49Å; N626-N630 VanDerWaalsContact O-N 3.11Å; N626-N630 PolarHBondContact O-ND2 3.01Å; N626-N630 PolarHBondContact O-OD1 3.34Å; N630-F632 VanDerWaalsContact C-N 3.32Å; N630-F632 PolarHBondContact O-N 2.92Å; N630-L633 PolarHBondContact O-N 3Å; N630-L633 VanDerWaalsContact O-N 3.16Å; N630-Y634 HydrophobicContact CB-CE2 4.04Å; N630-Y634 WeakPolarHBondContact O-CD2 3.23Å; N630-Y634 WeakPolarHBondContact O-CE2 3.43Å; N630-Y634 PolarHBondContact O-N 2.93Å
631	P	76.3	Confident	69.1	Low	8 Å²	8	41 Å²	41	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-41.5	175	-28.6	35.7	0	0	0	114.4	N388 V391 Y634 A635	N388-P631 HydrophobicContact CB-CG 4.45Å; N388-P631 VanDerWaalsContact OD1-CG 3.3Å; N388-P631 WeakPolarHBondContact OD1-CG 3.27Å; V391-P631 HydrophobicContact CG2-CB 3.82Å; V391-P631 HydrophobicContact CG2-CG 4.25Å; P631-Y634 PolarHBondContact O-N 2.92Å; P631-A635 VanDerWaalsContact O-CB 3.27Å; P631-A635 WeakPolarHBondContact O-CB 3.18Å; P631-A635 PolarHBondContact O-N 2.84Å
632	F	69.2	Low	69.6	Low	90 Å²	90	43.4 Å²	43.4	40%	0.395	21%	0.214	S	C	.	.	H	α-helix	trans	-67.9	-39.7	178.7	-62.9	-73.2	0	0	0	111	L383 C628 S629 N630 Y634 A635 F636	L383-F632 HydrophobicContact CD2-CZ 4.2Å; C628-F632 WeakPolarHBondContact O-CD2 3.1Å; C628-F632 WeakPolarHBondContact O-CE2 3.45Å; S629-F632 WeakPolarHBondContact O-CB 3.39Å; S629-F632 PolarHBondContact O-N 3.31Å; N630-F632 VanDerWaalsContact C-N 3.32Å; N630-F632 PolarHBondContact O-N 2.92Å; F632-Y634 VanDerWaalsContact C-N 3.29Å; F632-Y634 PolarHBondContact O-N 2.97Å; F632-A635 PolarHBondContact O-N 2.79Å; F632-F636 HydrophobicContact CB-CD2 4.18Å; F632-F636 HydrophobicContact CB-CE2 4.44Å; F632-F636 HydrophobicContact CD1-CE2 4.01Å; F632-F636 WeakPolarHBondContact O-CB 3.47Å; F632-F636 VanDerWaalsContact O-CD2 3.26Å; F632-F636 WeakPolarHBondContact O-CD2 3.4Å; F632-F636 PolarHBondContact O-N 3.35Å
633	L	68.3	Low	70	Confident	25 Å²	25	43.1 Å²	43.1	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-39.6	175.7	-65.6	174.9	0	0	0	111.4	V584 L585 S629 N630 F637	V584-L633 HydrophobicContact CG1-CD2 4.26Å; L585-L633 HydrophobicContact CB-CD1 4.02Å; L585-L633 HydrophobicContact CD1-CB 4.02Å; L585-L633 HydrophobicContact CD1-CD1 3.85Å; L585-L633 HydrophobicContact CG-CD1 3.63Å; S629-L633 WeakPolarHBondContact O-CG 3.22Å; S629-L633 PolarHBondContact O-N 2.88Å; N630-L633 PolarHBondContact O-N 3Å; N630-L633 VanDerWaalsContact O-N 3.16Å; L633-F637 HydrophobicContact CD2-CD2 4.06Å; L633-F637 HydrophobicContact CD2-CE2 3.85Å; L633-F637 WeakPolarHBondContact O-CB 3.27Å; L633-F637 WeakPolarHBondContact O-CD2 3.25Å; L633-F637 PolarHBondContact O-N 2.85Å; L633-F637 VanDerWaalsContact O-N 3.14Å
634	Y	66.8	Low	70.5	Confident	13 Å²	13	42.1 Å²	42.1	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-46.7	174.8	-54.9	-39.2	0	0	0	112.7	V391 M409 L412 L585 N630 P631 F632 F636 T638	V391-Y634 HydrophobicContact CG1-CD2 4.2Å; V391-Y634 HydrophobicContact CG2-CD2 4.26Å; M409-Y634 HydrophobicContact CG-CE1 4.32Å; M409-Y634 HydrophobicContact SD-CD1 4.08Å; M409-Y634 HydrophobicContact SD-CE1 4.04Å; L412-Y634 WeakPolarHBondContact CD2-OH 3.26Å; L585-Y634 HydrophobicContact CD1-CE1 3.76Å; N630-Y634 HydrophobicContact CB-CE2 4.04Å; N630-Y634 WeakPolarHBondContact O-CD2 3.23Å; N630-Y634 WeakPolarHBondContact O-CE2 3.43Å; N630-Y634 PolarHBondContact O-N 2.93Å; P631-Y634 PolarHBondContact O-N 2.92Å; F632-Y634 VanDerWaalsContact C-N 3.29Å; F632-Y634 PolarHBondContact O-N 2.97Å; Y634-F636 PolarHBondContact O-N 3.14Å; Y634-T638 VanDerWaalsContact O-CB 3.24Å; Y634-T638 WeakPolarHBondContact O-CB 3.25Å; Y634-T638 PolarHBondContact O-N 3.35Å; Y634-T638 PolarHBondContact O-OG1 2.8Å
635	A	59.8	Low	71.1	Confident	33 Å²	33	45 Å²	45	27%	0.273	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-36.9	-178.2	0	0	0	0	0	112.8	P631 F632 F641 R642	P631-A635 VanDerWaalsContact O-CB 3.27Å; P631-A635 WeakPolarHBondContact O-CB 3.18Å; P631-A635 PolarHBondContact O-N 2.84Å; F632-A635 PolarHBondContact O-N 2.79Å; A635-F641 HydrophobicContact CB-CD1 4.44Å; A635-F641 HydrophobicContact CB-CE1 4.14Å; A635-R642 WeakPolarHBondContact O-CD 3.4Å; A635-R642 WeakPolarHBondContact O-CG 3.27Å; A635-R642 PolarHBondContact O-NE 2.02Å
636	F	59.3	Low	71.6	Confident	122 Å²	122	44.7 Å²	44.7	54%	0.535	22%	0.217	S	C	.	.	H	α-helix	trans	-88.8	-31.4	-177.4	-75.1	-76.4	0	0	0	114.2	F632 Y634 R642	F632-F636 HydrophobicContact CB-CD2 4.18Å; F632-F636 HydrophobicContact CB-CE2 4.44Å; F632-F636 HydrophobicContact CD1-CE2 4.01Å; F632-F636 WeakPolarHBondContact O-CB 3.47Å; F632-F636 VanDerWaalsContact O-CD2 3.26Å; F632-F636 WeakPolarHBondContact O-CD2 3.4Å; F632-F636 PolarHBondContact O-N 3.35Å; Y634-F636 PolarHBondContact O-N 3.14Å; F636-R642 VanDerWaalsContact CA-NH2 3.3Å; F636-R642 PolarHBondContact O-NE 3.38Å; F636-R642 PolarHBondContact O-NH2 3.08Å
637	F	58.7	Low	72	Confident	103 Å²	103	46.2 Å²	46.2	45%	0.452	23%	0.225	S	C	.	.	H	α-helix	trans	-107.2	-5.7	-170.8	-62.7	-75.9	0	0	0	115	R581 L633	R581-F637 HydrophobicContact CG-CB 4.3Å; R581-F637 HydrophobicContact CG-CD1 4.13Å; R581-F637 HydrophobicContact CG-CG 4.47Å; L633-F637 HydrophobicContact CD2-CD2 4.06Å; L633-F637 HydrophobicContact CD2-CE2 3.85Å; L633-F637 WeakPolarHBondContact O-CB 3.27Å; L633-F637 WeakPolarHBondContact O-CD2 3.25Å; L633-F637 PolarHBondContact O-N 2.85Å; L633-F637 VanDerWaalsContact O-N 3.14Å
638	T	65.1	Low	72.1	Confident	44 Å²	44	47.3 Å²	47.3	27%	0.27	23%	0.23	S	C	.	.			trans	-115.6	103.7	-176	-46.1	0	0	0	0	112.3	Y634 T640 F641 R642	Y634-T638 VanDerWaalsContact O-CB 3.24Å; Y634-T638 WeakPolarHBondContact O-CB 3.25Å; Y634-T638 PolarHBondContact O-N 3.35Å; Y634-T638 PolarHBondContact O-OG1 2.8Å; T638-T640 VanDerWaalsContact C-N 3.31Å; T638-T640 VanDerWaalsContact CG2-OG1 3.31Å; T638-T640 WeakPolarHBondContact CG2-OG1 3.5Å; T638-T640 PolarHBondContact O-N 3.03Å; T638-F641 HydrophobicContact CG2-CB 3.98Å; T638-F641 PolarHBondContact O-N 2.87Å; T638-F641 VanDerWaalsContact O-N 3.14Å; T638-R642 PolarHBondContact O-N 2.63Å
639	H	66.4	Low	72.3	Confident	97 Å²	97	47.3 Å²	47.3	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-57.6	-41.4	-179.9	-169.1	-94	0	0	0	113	F641 R642 R643 Y662 E665	H639-F641 VanDerWaalsContact C-N 3.33Å; H639-F641 PolarHBondContact O-N 3.17Å; H639-R642 PolarHBondContact O-N 3.34Å; H639-R643 WeakPolarHBondContact O-CB 3.24Å; H639-R643 PolarHBondContact O-N 3.19Å; H639-Y662 AromaticContact CE1-CE1 3.65Å; H639-Y662 AromaticContact NE2-CE1 3.54Å; H639-E665 IonicContact CE1-OE2 3.06Å; H639-E665 PolarHBondContact CE1-OE2 2.97Å; H639-E665 IonicContact NE2-OE2 3.65Å
640	T	68.4	Low	72.4	Confident	65 Å²	65	46.4 Å²	46.4	40%	0.399	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-36.9	178.1	47.3	0	0	0	0	112.3	T638 D644	T638-T640 VanDerWaalsContact C-N 3.31Å; T638-T640 VanDerWaalsContact CG2-OG1 3.31Å; T638-T640 WeakPolarHBondContact CG2-OG1 3.5Å; T638-T640 PolarHBondContact O-N 3.03Å; T640-D644 WeakPolarHBondContact O-CB 3.27Å; T640-D644 PolarHBondContact O-N 3.49Å
641	F	73.1	Confident	72.7	Confident	16 Å²	16	53.7 Å²	53.7	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-46.2	175.6	-176.9	-89.8	0	0	0	111.6	V391 V394 L395 A635 T638 H639 R643 D644 F645	V391-F641 HydrophobicContact CB-CE2 4.47Å; V391-F641 HydrophobicContact CB-CZ 4.42Å; V391-F641 HydrophobicContact CG1-CE2 4.26Å; V391-F641 HydrophobicContact CG2-CE2 4.33Å; V391-F641 HydrophobicContact CG2-CZ 3.93Å; V394-F641 HydrophobicContact CB-CE2 3.84Å; V394-F641 HydrophobicContact CB-CZ 4.05Å; V394-F641 HydrophobicContact CG1-CD2 3.97Å; V394-F641 HydrophobicContact CG1-CE2 3.66Å; V394-F641 HydrophobicContact CG1-CZ 4.06Å; V394-F641 HydrophobicContact CG2-CZ 4.22Å; L395-F641 HydrophobicContact CD2-CD2 4.15Å; L395-F641 HydrophobicContact CD2-CE2 4.4Å; L395-F641 HydrophobicContact CG-CE2 4.33Å; A635-F641 HydrophobicContact CB-CD1 4.44Å; A635-F641 HydrophobicContact CB-CE1 4.14Å; T638-F641 HydrophobicContact CG2-CB 3.98Å; T638-F641 PolarHBondContact O-N 2.87Å; T638-F641 VanDerWaalsContact O-N 3.14Å; H639-F641 VanDerWaalsContact C-N 3.33Å; H639-F641 PolarHBondContact O-N 3.17Å; F641-R643 VanDerWaalsContact C-N 3.3Å; F641-R643 PolarHBondContact O-N 2.8Å; F641-D644 PolarHBondContact O-N 3.39Å; F641-F645 WeakPolarHBondContact O-CB 3.5Å; F641-F645 PolarHBondContact O-N 3.04Å
642	R	76.1	Confident	72.9	Confident	87 Å²	87	60.9 Å²	60.9	33%	0.328	28%	0.284	S	S	.	.	H	α-helix	trans	-55.3	-47.2	175	-72.5	178.2	171.5	-177.1	-8.7	111.6	A635 F636 T638 H639 F645 F646	A635-R642 WeakPolarHBondContact O-CD 3.4Å; A635-R642 WeakPolarHBondContact O-CG 3.27Å; A635-R642 PolarHBondContact O-NE 2.02Å; F636-R642 VanDerWaalsContact CA-NH2 3.3Å; F636-R642 PolarHBondContact O-NE 3.38Å; F636-R642 PolarHBondContact O-NH2 3.08Å; T638-R642 PolarHBondContact O-N 2.63Å; H639-R642 PolarHBondContact O-N 3.34Å; R642-F645 PolarHBondContact O-N 2.89Å; R642-F646 HydrophobicContact CB-CE2 4.44Å; R642-F646 WeakPolarHBondContact O-CD2 3.41Å; R642-F646 PolarHBondContact O-N 3Å
643	R	79.1	Confident	73	Confident	56 Å²	56	58.5 Å²	58.5	21%	0.211	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-53.3	176	-173.4	-164.7	65	176.7	1.4	111.3	H639 F641 F645 F646 L647 Y662	H639-R643 WeakPolarHBondContact O-CB 3.24Å; H639-R643 PolarHBondContact O-N 3.19Å; F641-R643 VanDerWaalsContact C-N 3.3Å; F641-R643 PolarHBondContact O-N 2.8Å; R643-F645 VanDerWaalsContact C-N 3.3Å; R643-F645 PolarHBondContact O-N 3.26Å; R643-F646 PolarHBondContact O-N 2.95Å; R643-L647 HydrophobicContact CG-CD1 4.01Å; R643-L647 WeakPolarHBondContact O-CB 3Å; R643-L647 VanDerWaalsContact O-CG 3.26Å; R643-L647 WeakPolarHBondContact O-CG 3.33Å; R643-L647 PolarHBondContact O-N 3.46Å; R643-Y662 HydrophobicContact CB-CD1 3.83Å; R643-Y662 HydrophobicContact CB-CE1 4.21Å; R643-Y662 HydrophobicContact CB-CG 4.19Å; R643-Y662 HydrophobicContact CG-CD1 3.77Å; R643-Y662 HydrophobicContact CG-CG 3.93Å
644	D	78	Confident	73.4	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.064	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-34.9	-177.1	-63.5	-11	0	0	0	110.9	V394 R406 T640 F641 L648	V394-D644 HydrophobicContact CG1-CB 4.11Å; R406-D644 IonicContact NH2-OD2 3.66Å; R406-D644 PolarHBondContact NH2-OD2 3.44Å; T640-D644 WeakPolarHBondContact O-CB 3.27Å; T640-D644 PolarHBondContact O-N 3.49Å; F641-D644 PolarHBondContact O-N 3.39Å; D644-L648 WeakPolarHBondContact O-CB 3.29Å; D644-L648 PolarHBondContact O-N 3.16Å
645	F	82	Confident	74	Confident	62 Å²	62	66.9 Å²	66.9	27%	0.272	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-53.1	172.2	171.4	-95.4	0	0	0	112.6	V390 V394 F641 R642 R643 L647 L648 A649	V390-F645 HydrophobicContact CG1-CD2 4.16Å; V390-F645 HydrophobicContact CG1-CE2 3.99Å; V394-F645 HydrophobicContact CG1-CB 4.33Å; V394-F645 HydrophobicContact CG2-CB 4.12Å; V394-F645 HydrophobicContact CG2-CD2 3.8Å; V394-F645 HydrophobicContact CG2-CG 4.47Å; F641-F645 WeakPolarHBondContact O-CB 3.5Å; F641-F645 PolarHBondContact O-N 3.04Å; R642-F645 PolarHBondContact O-N 2.89Å; R643-F645 VanDerWaalsContact C-N 3.3Å; R643-F645 PolarHBondContact O-N 3.26Å; F645-L647 VanDerWaalsContact C-N 3.31Å; F645-L647 PolarHBondContact O-N 3.45Å; F645-L648 PolarHBondContact O-N 3.33Å; F645-A649 WeakPolarHBondContact O-CB 3.32Å; F645-A649 PolarHBondContact O-N 2.79Å
646	F	82	Confident	74.7	Confident	40 Å²	40	71.6 Å²	71.6	18%	0.175	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-35.1	-179.2	-73	-63	0	0	0	112	R642 R643 A650 F655 Q658 A659 Y662	R642-F646 HydrophobicContact CB-CE2 4.44Å; R642-F646 WeakPolarHBondContact O-CD2 3.41Å; R642-F646 PolarHBondContact O-N 3Å; R643-F646 PolarHBondContact O-N 2.95Å; F646-A650 WeakPolarHBondContact O-CB 2.97Å; F646-A650 PolarHBondContact O-N 3.11Å; F646-F655 HydrophobicContact CD1-CB 3.73Å; F646-F655 HydrophobicContact CD1-CD2 4.41Å; F646-F655 HydrophobicContact CD1-CG 4.06Å; F646-F655 HydrophobicContact CE1-CB 4.16Å; F646-F655 HydrophobicContact CE1-CD1 4.31Å; F646-F655 HydrophobicContact CE1-CD2 4.46Å; F646-F655 HydrophobicContact CE1-CG 4.07Å; F646-Q658 HydrophobicContact CD1-CB 3.85Å; F646-Q658 HydrophobicContact CD1-CG 4.4Å; F646-Q658 HydrophobicContact CD2-CB 4.48Å; F646-Q658 HydrophobicContact CE1-CB 4.12Å; F646-Q658 HydrophobicContact CE1-CG 4.18Å; F646-Q658 HydrophobicContact CG-CB 4.05Å; F646-Q658 HydrophobicContact CZ-CG 4.25Å; F646-A659 WeakPolarHBondContact O-CB 3.33Å; F646-Y662 HydrophobicContact CB-CD2 4.13Å; F646-Y662 HydrophobicContact CB-CE2 4.49Å; F646-Y662 AromaticContact CD2-CD2 3.84Å; F646-Y662 HydrophobicContact CD2-CD2 3.84Å; F646-Y662 AromaticContact CD2-CE2 3.32Å; F646-Y662 HydrophobicContact CD2-CE2 3.32Å; F646-Y662 AromaticContact CE2-CE2 3.85Å; F646-Y662 HydrophobicContact CE2-CE2 3.85Å; F646-Y662 HydrophobicContact CG-CD2 4.32Å; F646-Y662 HydrophobicContact CG-CE2 4.21Å
647	L	78.6	Confident	75.2	Confident	42 Å²	42	70.5 Å²	70.5	22%	0.22	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-39.5	173.9	-72.3	173.7	0	0	0	112.4	R643 F645 A659 R663	R643-L647 HydrophobicContact CG-CD1 4.01Å; R643-L647 WeakPolarHBondContact O-CB 3Å; R643-L647 VanDerWaalsContact O-CG 3.26Å; R643-L647 WeakPolarHBondContact O-CG 3.33Å; R643-L647 PolarHBondContact O-N 3.46Å; F645-L647 VanDerWaalsContact C-N 3.31Å; F645-L647 PolarHBondContact O-N 3.45Å; L647-A659 HydrophobicContact CD2-CB 4.48Å; L647-R663 HydrophobicContact CD2-CG 3.7Å
648	L	79.6	Confident	76	Confident	30 Å²	30	69.9 Å²	69.9	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-70.8	-45.3	175.8	-174.3	65.1	0	0	0	111.3	V394 D644 F645 A650 R651 F652	V394-L648 HydrophobicContact CG2-CD2 4.17Å; D644-L648 WeakPolarHBondContact O-CB 3.29Å; D644-L648 PolarHBondContact O-N 3.16Å; F645-L648 PolarHBondContact O-N 3.33Å; L648-A650 VanDerWaalsContact C-N 3.26Å; L648-A650 PolarHBondContact O-N 3.04Å; L648-R651 WeakPolarHBondContact O-CB 3.49Å; L648-R651 PolarHBondContact O-N 3.27Å; L648-F652 HydrophobicContact CD1-CE2 4.13Å; L648-F652 HydrophobicContact CG-CE2 4.23Å; L648-F652 WeakPolarHBondContact O-CD2 3.32Å
649	A	79.6	Confident	76.3	Confident	12 Å²	12	67.8 Å²	67.8	10%	0.099	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-36.8	177.7	0	0	0	0	0	112.2	F645 R651 F652 G653 L654 F655	F645-A649 WeakPolarHBondContact O-CB 3.32Å; F645-A649 PolarHBondContact O-N 2.79Å; A649-R651 VanDerWaalsContact C-N 3.26Å; A649-R651 PolarHBondContact O-N 3.07Å; A649-F652 CarbonylContact O-C 3.58Å; A649-F652 PolarHBondContact O-N 3.19Å; A649-G653 PolarHBondContact O-N 2.8Å; A649-L654 CarbonylContact C-O 3.5Å; A649-L654 HydrophobicContact CB-CB 4.3Å; A649-L654 PolarHBondContact O-N 3.38Å; A649-F655 HydrophobicContact CB-CD2 4Å
650	A	79.4	Confident	76.5	Confident	17 Å²	17	69 Å²	69	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-25.9	175.3	0	0	0	0	0	113.8	F646 L648 F652 G653 L654 A659	F646-A650 WeakPolarHBondContact O-CB 2.97Å; F646-A650 PolarHBondContact O-N 3.11Å; L648-A650 VanDerWaalsContact C-N 3.26Å; L648-A650 PolarHBondContact O-N 3.04Å; A650-F652 VanDerWaalsContact C-N 3.27Å; A650-F652 PolarHBondContact O-N 3.28Å; A650-G653 PolarHBondContact O-N 2.84Å; A650-L654 WeakPolarHBondContact CA-O 3.28Å; A650-L654 PolarHBondContact N-O 3.18Å; A650-L654 VanDerWaalsContact N-O 3.14Å; A650-A659 HydrophobicContact CB-CB 3.49Å; A650-A659 VanDerWaalsContact CB-CB 3.49Å
651	R	80.2	Confident	76.8	Confident	153 Å²	153	70.4 Å²	70.4	58%	0.577	34%	0.339	S	S	*	.	H	α-helix	trans	-67.9	-29.6	172.2	-67.6	-179.7	172.5	-175.4	-7.6	112.3	H399 L648 A649 G653	H399-R651 PolarHBondContact CD2-NH2 3.34Å; H399-R651 PolarHBondContact NE2-NH1 3Å; H399-R651 PolarHBondContact NE2-NH2 3.1Å; L648-R651 WeakPolarHBondContact O-CB 3.49Å; L648-R651 PolarHBondContact O-N 3.27Å; A649-R651 VanDerWaalsContact C-N 3.26Å; A649-R651 PolarHBondContact O-N 3.07Å; R651-G653 VanDerWaalsContact C-N 3.31Å
652	F	80.3	Confident	76.8	Confident	159 Å²	159	71.1 Å²	71.1	70%	0.697	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	9.7	174.4	-63	-76.7	0	0	0	112.9	L648 A649 A650	L648-F652 HydrophobicContact CD1-CE2 4.13Å; L648-F652 HydrophobicContact CG-CE2 4.23Å; L648-F652 WeakPolarHBondContact O-CD2 3.32Å; A649-F652 CarbonylContact O-C 3.58Å; A649-F652 PolarHBondContact O-N 3.19Å; A650-F652 VanDerWaalsContact C-N 3.27Å; A650-F652 PolarHBondContact O-N 3.28Å
653	G	73.3	Confident	76.5	Confident	41 Å²	41	73.4 Å²	73.4	42%	0.423	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	0.3	175.9	0	0	0	0	0	115.9	A649 A650 R651	A649-G653 PolarHBondContact O-N 2.8Å; A650-G653 PolarHBondContact O-N 2.84Å; R651-G653 VanDerWaalsContact C-N 3.31Å
654	L	75.4	Confident	75.7	Confident	105 Å²	105	75 Å²	75	55%	0.55	37%	0.366	S	S	.	.	S	Bend	trans	-97.6	148.2	-177.6	-63.9	168.7	0	0	0	112	A649 A650 K656	A649-L654 CarbonylContact C-O 3.5Å; A649-L654 HydrophobicContact CB-CB 4.3Å; A649-L654 PolarHBondContact O-N 3.38Å; A650-L654 WeakPolarHBondContact CA-O 3.28Å; A650-L654 PolarHBondContact N-O 3.18Å; A650-L654 VanDerWaalsContact N-O 3.14Å; L654-K656 VanDerWaalsContact C-N 3.31Å; L654-K656 PolarHBondContact O-N 3.08Å
655	F	79.4	Confident	75	Confident	108 Å²	108	79 Å²	79	47%	0.474	38%	0.384	S	S	.	.			trans	52.8	36.4	173.2	-52.2	-71.1	0	0	0	116.2	F646 A649 T657 Q658 A659	F646-F655 HydrophobicContact CD1-CB 3.73Å; F646-F655 HydrophobicContact CD1-CD2 4.41Å; F646-F655 HydrophobicContact CD1-CG 4.06Å; F646-F655 HydrophobicContact CE1-CB 4.16Å; F646-F655 HydrophobicContact CE1-CD1 4.31Å; F646-F655 HydrophobicContact CE1-CD2 4.46Å; F646-F655 HydrophobicContact CE1-CG 4.07Å; A649-F655 HydrophobicContact CB-CD2 4Å; F655-T657 VanDerWaalsContact C-N 3.26Å; F655-T657 PolarHBondContact O-N 3.25Å; F655-Q658 PolarHBondContact O-N 2.95Å; F655-A659 PolarHBondContact O-N 2.86Å; F655-A659 VanDerWaalsContact O-N 3.1Å
656	K	74	Confident	73.5	Confident	132 Å²	132	79.2 Å²	79.2	57%	0.574	39%	0.391	S	S	*	.	H	α-helix	trans	-56.2	-36.2	-177.3	-66.1	-176.9	-177.5	177.5	0	113.5	L654 A659 Q660	L654-K656 VanDerWaalsContact C-N 3.31Å; L654-K656 PolarHBondContact O-N 3.08Å; K656-A659 PolarHBondContact O-N 2.85Å; K656-Q660 PolarHBondContact O-N 3.4Å; K656-Q660 VanDerWaalsContact O-N 3.11Å
657	T	70.8	Confident	71.6	Confident	100 Å²	100	81.1 Å²	81.1	61%	0.613	41%	0.41	S	S	*	.	H	α-helix	trans	-68	-47.9	-178.9	-21.8	0	0	0	0	112	F655 A659 Q660 I661	F655-T657 VanDerWaalsContact C-N 3.26Å; F655-T657 PolarHBondContact O-N 3.25Å; T657-A659 VanDerWaalsContact C-N 3.31Å; T657-A659 PolarHBondContact O-N 2.04Å; T657-Q660 PolarHBondContact O-N 2.91Å; T657-I661 PolarHBondContact O-N 3.16Å
658	Q	75.2	Confident	69.7	Low	89 Å²	89	83.9 Å²	83.9	42%	0.416	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-39.6	173	-102.4	82.1	-1.3	0	0	111.9	F646 F655 Q660 I661 Y662	F646-Q658 HydrophobicContact CD1-CB 3.85Å; F646-Q658 HydrophobicContact CD1-CG 4.4Å; F646-Q658 HydrophobicContact CD2-CB 4.48Å; F646-Q658 HydrophobicContact CE1-CB 4.12Å; F646-Q658 HydrophobicContact CE1-CG 4.18Å; F646-Q658 HydrophobicContact CG-CB 4.05Å; F646-Q658 HydrophobicContact CZ-CG 4.25Å; F655-Q658 PolarHBondContact O-N 2.95Å; Q658-Q660 VanDerWaalsContact C-N 3.28Å; Q658-Q660 PolarHBondContact O-N 3.1Å; Q658-I661 PolarHBondContact O-N 2.88Å; Q658-Y662 VanDerWaalsContact O-CD2 3.24Å; Q658-Y662 WeakPolarHBondContact O-CD2 3.33Å; Q658-Y662 PolarHBondContact O-N 3.39Å
659	A	71.3	Confident	67.6	Low	0 Å²	0	88.1 Å²	88.1	0%	0	46%	0.463	C	S	.	.	H	α-helix	trans	-64.4	-32.2	179	0	0	0	0	0	112.8	F646 L647 A650 F655 K656 T657 R663	F646-A659 WeakPolarHBondContact O-CB 3.33Å; L647-A659 HydrophobicContact CD2-CB 4.48Å; A650-A659 HydrophobicContact CB-CB 3.49Å; A650-A659 VanDerWaalsContact CB-CB 3.49Å; F655-A659 PolarHBondContact O-N 2.86Å; F655-A659 VanDerWaalsContact O-N 3.1Å; K656-A659 PolarHBondContact O-N 2.85Å; T657-A659 VanDerWaalsContact C-N 3.31Å; T657-A659 PolarHBondContact O-N 2.04Å; A659-R663 WeakPolarHBondContact O-CG 3.32Å; A659-R663 PolarHBondContact O-N 3.31Å; A659-R663 VanDerWaalsContact O-N 3.12Å
660	Q	70.6	Confident	65.2	Low	123 Å²	123	95.4 Å²	95.4	58%	0.575	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-43.2	173.9	-82.8	-176.2	-36.9	0	0	112.4	K656 T657 Q658 Y662 R663 T664	K656-Q660 PolarHBondContact O-N 3.4Å; K656-Q660 VanDerWaalsContact O-N 3.11Å; T657-Q660 PolarHBondContact O-N 2.91Å; Q658-Q660 VanDerWaalsContact C-N 3.28Å; Q658-Q660 PolarHBondContact O-N 3.1Å; Q660-Y662 VanDerWaalsContact C-N 3.26Å; Q660-Y662 PolarHBondContact O-N 3.15Å; Q660-R663 WeakPolarHBondContact O-CB 3.33Å; Q660-R663 PolarHBondContact O-N 3.34Å; Q660-T664 PolarHBondContact O-N 2.99Å; Q660-T664 PolarHBondContact O-OG1 3.25Å; Q660-T664 VanDerWaalsContact O-OG1 3.09Å
661	I	74.3	Confident	62.6	Low	94 Å²	94	103.1 Å²	103.1	48%	0.482	53%	0.528	S	S	.	.	H	α-helix	trans	-55.4	-45.8	176	-63.1	170.3	0	0	0	110.4	T657 Q658 R663 T664 E665	T657-I661 PolarHBondContact O-N 3.16Å; Q658-I661 PolarHBondContact O-N 2.88Å; I661-R663 VanDerWaalsContact C-N 3.35Å; I661-R663 PolarHBondContact O-N 3.12Å; I661-T664 WeakPolarHBondContact CA-OG1 3.32Å; I661-T664 PolarHBondContact O-N 3.05Å; I661-T664 PolarHBondContact O-OG1 3.19Å; I661-E665 PolarHBondContact O-N 3.14Å; I661-E665 VanDerWaalsContact O-N 3.16Å
662	Y	73	Confident	60.4	Low	32 Å²	32	101.4 Å²	101.4	13%	0.125	54%	0.537	C	S	.	.	H	α-helix	trans	-68.4	-28.6	178.8	-83.3	-57.5	0	0	0	114.4	H639 R643 F646 Q658 Q660 T666	H639-Y662 AromaticContact CE1-CE1 3.65Å; H639-Y662 AromaticContact NE2-CE1 3.54Å; R643-Y662 HydrophobicContact CB-CD1 3.83Å; R643-Y662 HydrophobicContact CB-CE1 4.21Å; R643-Y662 HydrophobicContact CB-CG 4.19Å; R643-Y662 HydrophobicContact CG-CD1 3.77Å; R643-Y662 HydrophobicContact CG-CG 3.93Å; F646-Y662 HydrophobicContact CB-CD2 4.13Å; F646-Y662 HydrophobicContact CB-CE2 4.49Å; F646-Y662 AromaticContact CD2-CD2 3.84Å; F646-Y662 HydrophobicContact CD2-CD2 3.84Å; F646-Y662 AromaticContact CD2-CE2 3.32Å; F646-Y662 HydrophobicContact CD2-CE2 3.32Å; F646-Y662 AromaticContact CE2-CE2 3.85Å; F646-Y662 HydrophobicContact CE2-CE2 3.85Å; F646-Y662 HydrophobicContact CG-CD2 4.32Å; F646-Y662 HydrophobicContact CG-CE2 4.21Å; Q658-Y662 VanDerWaalsContact O-CD2 3.24Å; Q658-Y662 WeakPolarHBondContact O-CD2 3.33Å; Q658-Y662 PolarHBondContact O-N 3.39Å; Q660-Y662 VanDerWaalsContact C-N 3.26Å; Q660-Y662 PolarHBondContact O-N 3.15Å; Y662-T666 PolarHBondContact O-OG1 3.23Å
663	R	70.8	Confident	57.9	Low	134 Å²	134	99.8 Å²	99.8	51%	0.506	54%	0.54	S	S	.	.	H	α-helix	trans	-71.7	-39.9	171.3	-74.4	179.6	-175.4	142.7	2.3	111.6	L647 A659 Q660 I661 E665 T666 S667	L647-R663 HydrophobicContact CD2-CG 3.7Å; A659-R663 WeakPolarHBondContact O-CG 3.32Å; A659-R663 PolarHBondContact O-N 3.31Å; A659-R663 VanDerWaalsContact O-N 3.12Å; Q660-R663 WeakPolarHBondContact O-CB 3.33Å; Q660-R663 PolarHBondContact O-N 3.34Å; I661-R663 VanDerWaalsContact C-N 3.35Å; I661-R663 PolarHBondContact O-N 3.12Å; R663-E665 PolarHBondContact O-N 3Å; R663-T666 PolarHBondContact O-N 3.22Å; R663-T666 VanDerWaalsContact O-N 3.16Å; R663-T666 PolarHBondContact O-OG1 3.3Å; R663-S667 PolarHBondContact O-OG 3.49Å
664	T	62.9	Low	55.8	Low	89 Å²	89	109.9 Å²	109.9	55%	0.546	57%	0.565	S	S	.	*	H	α-helix	trans	-68.4	-32.2	-179.6	41.5	0	0	0	0	113.4	Q660 I661 T666 S667	Q660-T664 PolarHBondContact O-N 2.99Å; Q660-T664 PolarHBondContact O-OG1 3.25Å; Q660-T664 VanDerWaalsContact O-OG1 3.09Å; I661-T664 WeakPolarHBondContact CA-OG1 3.32Å; I661-T664 PolarHBondContact O-N 3.05Å; I661-T664 PolarHBondContact O-OG1 3.19Å; T664-T666 PolarHBondContact O-N 2.78Å; T664-S667 WeakPolarHBondContact CA-OG 3.44Å; T664-S667 PolarHBondContact O-N 3.38Å; T664-S667 PolarHBondContact O-OG 3.48Å
665	E	61.4	Low	53.6	Low	96 Å²	96	111.5 Å²	111.5	45%	0.449	58%	0.58	S	S	.	*	H	α-helix	trans	-66	-23.8	172	-76.8	-175.5	163.5	0	0	113.4	H639 I661 R663 S668	H639-E665 IonicContact CE1-OE2 3.06Å; H639-E665 PolarHBondContact CE1-OE2 2.97Å; H639-E665 IonicContact NE2-OE2 3.65Å; I661-E665 PolarHBondContact O-N 3.14Å; I661-E665 VanDerWaalsContact O-N 3.16Å; R663-E665 PolarHBondContact O-N 3Å; E665-S668 PolarHBondContact O-OG 3.43Å
666	T	51.9	Low	51	Low	68 Å²	68	111.9 Å²	111.9	42%	0.417	60%	0.596	S	S	.	*	H	α-helix	trans	-81.1	-29.9	179.8	-3.5	0	0	0	0	112.2	Y662 R663 T664	Y662-T666 PolarHBondContact O-OG1 3.23Å; R663-T666 PolarHBondContact O-N 3.22Å; R663-T666 VanDerWaalsContact O-N 3.16Å; R663-T666 PolarHBondContact O-OG1 3.3Å; T664-T666 PolarHBondContact O-N 2.78Å
667	S	41.6	Very low	49.4	Very low	80 Å²	80	111 Å²	111	56%	0.559	60%	0.604	S	S	*	*	H	α-helix	trans	-74.4	-24.6	178.2	34.4	0	0	0	0	114.3	R663 T664 C669	R663-S667 PolarHBondContact O-OG 3.49Å; T664-S667 WeakPolarHBondContact CA-OG 3.44Å; T664-S667 PolarHBondContact O-N 3.38Å; T664-S667 PolarHBondContact O-OG 3.48Å; S667-C669 VanDerWaalsContact C-N 3.33Å; S667-C669 PolarHBondContact O-N 3.04Å
668	S	38	Very low	47.4	Very low	99 Å²	99	116.1 Å²	116.1	69%	0.692	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-15.9	179.9	70.4	0	0	0	0	114.1	E665	E665-S668 PolarHBondContact O-OG 3.43Å
669	C	36.8	Very low	45.1	Very low	120 Å²	120	117.3 Å²	117.3	81%	0.811	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	6.1	-178.6	-108	0	0	0	0	114.6	S667	S667-C669 VanDerWaalsContact C-N 3.33Å; S667-C669 PolarHBondContact O-N 3.04Å
670	Q	28.9	Very low	43	Very low	165 Å²	165	122.8 Å²	122.8	77%	0.771	67%	0.674	S	S	*	*			trans	-117.7	16.5	-172.4	-86.3	-167.9	-26.1	0	0	116.7	P672	Q670-P672 WeakPolarHBondContact O-CD 3.32Å
671	Q	25.4	Very low	41	Very low	179 Å²	179	128.3 Å²	128.3	84%	0.836	69%	0.69	S	S	*	*			trans	-105.9	114.5	169.3	-85.5	-171.6	-30.3	0	0	112.8
672	P	34	Very low	38.8	Very low	117 Å²	117	129.9 Å²	129.9	76%	0.76	70%	0.704	S	S	*	*			trans	-103.9	107.5	159.1	32.9	-20.3	0	0	0	109.6	Q670	Q670-P672 WeakPolarHBondContact O-CD 3.32Å
673	T	27.9	Very low	36.7	Very low	124 Å²	124	135.4 Å²	135.4	76%	0.761	73%	0.734	S	S	*	*			trans	-148.6	109.7	161.6	43.8	0	0	0	0	111.7
674	W	28.3	Very low	34.7	Very low	253 Å²	253	139.4 Å²	139.4	96%	0.958	75%	0.75	S	S	*	*			trans	-55.9	128.2	151.6	-87.6	71.7	0	0	0	110.7
675	T	28.6	Very low	32.9	Very low	139 Å²	139	140.7 Å²	140.7	85%	0.853	76%	0.763	S	S	*	*			trans	-158.8	142.1	139.4	40.8	0	0	0	0	110.9
676	S	25.7	Very low	31.3	Very low	117 Å²	117	143.6 Å²	143.6	82%	0.818	78%	0.781	S	S	*	*			trans	-61.8	166.3	-169.6	-155.3	0	0	0	0	116.5
677	P	40.3	Very low	30.2	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	79%	0.793	S	S	*	*			trans	-93.7	131.8	-164.9	34.9	-26.3	0	0	0	113.1
678	K	27.9	Very low	29.5	Very low	206 Å²	206	147.5 Å²	147.5	90%	0.896	80%	0.804	S	S	*	*			trans	-145.1	122.3	154.9	-76.9	-167.9	178.4	176.5	0	110.9
679	S	27.3	Very low	29	Very low	114 Å²	114	149.5 Å²	149.5	80%	0.797	81%	0.813	S	S	*	*			trans	17.1	118.5	149.2	-174.6	0	0	0	0	118.6
680	S	26.8	Very low	28.7	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	82%	0.819	S	S	*	*				179.9	141.1	109.5	31.9	0	0	0	0	111.8
681	R	29.7	Very low	28.6	Very low	238 Å²	238	149.1 Å²	149.1	90%	0.898	81%	0.814	S	S	*	*			trans	-65.1	165.4	173	-68.1	175.7	-175.5	-178.4	0.7	111.6
682	V	28.1	Very low	28.7	Very low	127 Å²	127	147.8 Å²	147.8	77%	0.77	81%	0.812	S	S	*	*			trans	140.7	96.1	143.9	170.5	0	0	0	0	107.8
683	I	28.5	Very low	28.5	Very low	149 Å²	149	149.3 Å²	149.3	76%	0.764	81%	0.814	S	S	*	*				66.7	125.9	91.8	-62.2	172.3	0	0	0	113.5
684	Y	28.5	Very low	28.4	Very low	217 Å²	217	146.6 Å²	146.6	85%	0.851	81%	0.811	S	S	*	*			trans	-28.8	140.4	165	-82.7	-97.3	0	0	0	115.7
685	S	24.5	Very low	28.4	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	80%	0.801	S	S	*	*			trans	-158	117.5	144.2	-173.7	0	0	0	0	111.5
686	L	29.5	Very low	28.5	Very low	156 Å²	156	142.5 Å²	142.5	82%	0.817	79%	0.79	S	S	*	*			trans	-67.7	152.8	159.6	-103.5	115.8	0	0	0	110.3
687	A	27.5	Very low	28.8	Very low	80 Å²	80	143.8 Å²	143.8	66%	0.661	78%	0.783	S	S	*	*			trans	91.5	117.4	151	0	0	0	0	0	119.7
688	N	28.4	Very low	28.9	Very low	150 Å²	150	151 Å²	151	80%	0.802	80%	0.803	S	S	*	*			trans	72.6	121.8	137.6	-69.7	-5.4	0	0	0	120.3
689	T	26.6	Very low	28.9	Very low	142 Å²	142	148.3 Å²	148.3	87%	0.871	80%	0.798	S	S	*	*				-173.7	107.4	113.6	23.6	0	0	0	0	110.5
690	L	29.4	Very low	29	Very low	182 Å²	182	150.1 Å²	150.1	95%	0.953	80%	0.798	S	S	*	*			trans	-114.6	123.1	148.4	-105	162.4	0	0	0	105.9
691	S	27	Very low	29.1	Very low	94 Å²	94	151.9 Å²	151.9	66%	0.657	80%	0.798	S	S	*	*			trans	-83.6	139.8	-165.4	62.9	0	0	0	0	113.3
692	L	28.9	Very low	29.1	Very low	152 Å²	152	146.9 Å²	146.9	80%	0.796	79%	0.792	S	S	*	*			trans	64.5	105.3	131.1	-85.7	119.8	0	0	0	119.9
693	D	28.7	Very low	29.1	Very low	148 Å²	148	148.1 Å²	148.1	79%	0.791	79%	0.793	S	S	*	*				103.5	137.7	105.6	-138.4	-1.7	0	0	0	118.4
694	G	26.6	Very low	29.2	Very low	68 Å²	68	148.1 Å²	148.1	70%	0.701	80%	0.795	S	S	*	*			trans	142.2	50.7	168.2	0	0	0	0	0	119.8
695	K	29.1	Very low	29.2	Very low	175 Å²	175	143.1 Å²	143.1	76%	0.761	79%	0.791	S	S	*	*			trans	41.7	138.6	137.2	-87.9	-177.3	174.3	-178.9	0	125.4
696	Q	29.2	Very low	29.6	Very low	131 Å²	131	145.2 Å²	145.2	61%	0.612	79%	0.789	S	S	*	*			trans	93.5	107.1	134.3	-80.1	179.2	-57	0	0	119.9
697	E	33.4	Very low	29.6	Very low	144 Å²	144	144.3 Å²	144.3	67%	0.673	79%	0.787	S	S	*	*				90.2	126.5	89.1	-87.1	176	-150	0	0	109.8
698	F	40.6	Very low	29.8	Very low	265 Å²	265	150.1 Å²	150.1	100%	1.162	80%	0.798	S	S	*	*			cis	-134.8	0	25.1	-100.3	-96.5	0	0	0	112.1

Retrieved 698 of 698 residues in 179.7 ms (Link to these results)

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