A0A3B3VAK4_9TELE Loading...

thioredoxin-dependent peroxiredoxin

AlphaFold DB , UniProt , Accession A0A3B3VAK4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	42.6	Very low	235 Å²	235	146.1 Å²	146.1	100%	1.158	84%	0.835	S	S	*	*				0	116.4	0	-109.2	166.1	163.9	0	0	106.7
2	E	39.3	Very low	42.9	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.874	83%	0.83	S	S	*	*			trans	58	138.6	160	-60.7	-178.5	161	0	0	117.7
3	S	32.9	Very low	43.3	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	82%	0.816	S	S	*	*			cis	-163	152.4	28.8	41.1	0	0	0	0	109.9
4	G	43.5	Very low	43.6	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	81%	0.81	S	S	*	*			trans	-85.4	159.1	174.4	0	0	0	0	0	113.2
5	F	35.7	Very low	43.8	Very low	205 Å²	205	142.2 Å²	142.2	90%	0.899	80%	0.799	S	S	*	*			trans	-136.4	105	173.3	-152.4	-98.5	0	0	0	112.8
6	S	38.4	Very low	44.3	Very low	96 Å²	96	137.1 Å²	137.1	67%	0.671	78%	0.781	S	S	*	*			trans	35.8	104.6	139.6	-158.9	0	0	0	0	120.9	G8	S6-G8 PolarHBondContact O-N 3.2Å
7	T	48.8	Very low	44.7	Very low	158 Å²	158	137.4 Å²	137.4	97%	0.969	77%	0.772	S	S	*	*			trans	-88	82.8	158.3	35.9	0	0	0	0	110.3
8	G	49.6	Very low	45	Very low	59 Å²	59	134.4 Å²	134.4	61%	0.608	76%	0.76	S	S	*	*			trans	-138.8	-5.7	-174.4	0	0	0	0	0	118.4	S6	S6-G8 PolarHBondContact O-N 3.2Å
9	A	49.6	Very low	45.3	Very low	87 Å²	87	129.9 Å²	129.9	72%	0.719	74%	0.742	S	S	*	*	S	Bend	trans	-112.7	-1.9	-163.9	0	0	0	0	0	116.9
10	K	47.1	Very low	45.8	Very low	194 Å²	194	126 Å²	126	84%	0.843	73%	0.725	S	S	*	*	S	Bend	trans	-101.4	-8.9	-169.6	-72.5	-172.3	177.9	-177.3	0	116.3
11	K	46.6	Very low	46	Very low	193 Å²	193	125.7 Å²	125.7	84%	0.839	72%	0.721	S	S	*	*	S	Bend	trans	-96.3	-27.1	-177.2	-117.9	178.2	180	-179	0	114.5
12	E	46.1	Very low	46.5	Very low	166 Å²	166	120.4 Å²	120.4	78%	0.776	70%	0.696	S	S	*	*	H	α-helix	trans	-79.7	-31.1	179.5	-68	-171.2	159.9	0	0	112.9	L14 C15 A16	E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.3Å; E12-C15 PolarHBondContact O-N 3.14Å; E12-A16 PolarHBondContact O-N 3Å
13	L	48.5	Very low	47	Very low	124 Å²	124	116.9 Å²	116.9	65%	0.649	68%	0.683	S	S	*	*	H	α-helix	trans	-70.6	-28.1	-177.8	-147.7	74.6	0	0	0	113.3
14	L	47.2	Very low	47.9	Very low	140 Å²	140	116.1 Å²	116.1	73%	0.733	67%	0.673	S	S	*	*	H	α-helix	trans	-77.5	-27.2	179.8	-134.7	78.4	0	0	0	112.6	E12	E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.3Å
15	C	47.3	Very low	48.1	Very low	96 Å²	96	115.4 Å²	115.4	65%	0.649	66%	0.656	S	S	*	*	H	α-helix	trans	-80.5	-35.2	179.7	-145.1	0	0	0	0	111.6	E12 F17 C18 A19	E12-C15 PolarHBondContact O-N 3.14Å; C15-F17 PolarHBondContact O-N 3.32Å; C15-C18 PolarHBondContact O-N 3.25Å; C15-A19 PolarHBondContact O-N 3.44Å
16	A	51.9	Low	48.7	Very low	61 Å²	61	108.6 Å²	108.6	50%	0.504	64%	0.638	S	S	.	*	H	α-helix	trans	-65.8	-35.7	175	0	0	0	0	0	113	E12 A20	E12-A16 PolarHBondContact O-N 3Å; A16-A20 WeakPolarHBondContact O-CB 3.17Å; A16-A20 PolarHBondContact O-N 2.86Å; A16-A20 VanDerWaalsContact O-N 3.09Å
17	F	49.7	Very low	49.2	Very low	142 Å²	142	108.4 Å²	108.4	62%	0.623	63%	0.628	S	S	*	*	H	α-helix	trans	-71	-34.9	177.8	-103.3	-88.1	0	0	0	113.5	C15 L21	C15-F17 PolarHBondContact O-N 3.32Å; F17-L21 WeakPolarHBondContact O-CD1 3.31Å; F17-L21 PolarHBondContact O-N 3.19Å; F17-L21 VanDerWaalsContact O-N 3.16Å
18	C	50.1	Low	49.1	Very low	83 Å²	83	103.3 Å²	103.3	56%	0.561	60%	0.602	S	S	*	*	H	α-helix	trans	-70.9	-37.2	175	-80	0	0	0	0	112.6	C15 L22	C15-C18 PolarHBondContact O-N 3.25Å; C18-L22 WeakPolarHBondContact O-CG 3.5Å; C18-L22 PolarHBondContact O-N 3.09Å
19	A	52.4	Low	48.8	Very low	50 Å²	50	104.7 Å²	104.7	41%	0.413	60%	0.602	S	S	.	*	H	α-helix	trans	-67.9	-38.1	176	0	0	0	0	0	112.1	C15 L22 L23	C15-A19 PolarHBondContact O-N 3.44Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-L23 PolarHBondContact O-N 3.14Å; A19-L23 VanDerWaalsContact O-N 3.12Å
20	A	53.5	Low	48.6	Very low	50 Å²	50	103.4 Å²	103.4	41%	0.413	59%	0.592	S	S	.	*	H	α-helix	trans	-66.7	-40.4	176.4	0	0	0	0	0	112.6	A16 L22 L23 V24	A16-A20 WeakPolarHBondContact O-CB 3.17Å; A16-A20 PolarHBondContact O-N 2.86Å; A16-A20 VanDerWaalsContact O-N 3.09Å; A20-L22 PolarHBondContact O-N 3.17Å; A20-L23 PolarHBondContact O-N 3.29Å; A20-V24 VanDerWaalsContact O-CG2 3.29Å; A20-V24 WeakPolarHBondContact O-CG2 3.42Å; A20-V24 PolarHBondContact O-N 3.26Å
21	L	50.4	Low	48.4	Very low	120 Å²	120	100.8 Å²	100.8	63%	0.628	58%	0.583	S	S	*	*	H	α-helix	trans	-66.2	-35	176.4	-103.4	97.9	0	0	0	113.1	F17 S25	F17-L21 WeakPolarHBondContact O-CD1 3.31Å; F17-L21 PolarHBondContact O-N 3.19Å; F17-L21 VanDerWaalsContact O-N 3.16Å; L21-S25 PolarHBondContact O-N 3.48Å; L21-S25 VanDerWaalsContact O-N 3.17Å; L21-S25 PolarHBondContact O-OG 3.45Å
22	L	48.9	Very low	48.1	Very low	124 Å²	124	98.4 Å²	98.4	65%	0.649	58%	0.575	S	S	*	*	H	α-helix	trans	-72.8	-30.4	176.7	-74.6	167.9	0	0	0	112.9	C18 A19 A20 S25 A26	C18-L22 WeakPolarHBondContact O-CG 3.5Å; C18-L22 PolarHBondContact O-N 3.09Å; A19-L22 PolarHBondContact O-N 3.07Å; A20-L22 PolarHBondContact O-N 3.17Å; L22-S25 PolarHBondContact O-OG 2.86Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.1Å
23	L	48.4	Very low	47.6	Very low	114 Å²	114	92.2 Å²	92.2	60%	0.597	56%	0.555	S	S	*	*	H	α-helix	trans	-72.4	-38.9	172.1	-99.6	131.3	0	0	0	111.8	A19 A20 A26 I27	A19-L23 PolarHBondContact O-N 3.14Å; A19-L23 VanDerWaalsContact O-N 3.12Å; A20-L23 PolarHBondContact O-N 3.29Å; L23-A26 PolarHBondContact O-N 3.14Å; L23-I27 VanDerWaalsContact O-CD1 3.3Å; L23-I27 WeakPolarHBondContact O-CD1 3.44Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 3.23Å
24	V	51.9	Low	47.4	Very low	100 Å²	100	90.6 Å²	90.6	61%	0.606	55%	0.55	S	S	*	*	H	α-helix	trans	-67.9	-37	178.6	175	0	0	0	0	111.9	A20 I27 A28	A20-V24 VanDerWaalsContact O-CG2 3.29Å; A20-V24 WeakPolarHBondContact O-CG2 3.42Å; A20-V24 PolarHBondContact O-N 3.26Å; V24-I27 PolarHBondContact O-N 3.23Å; V24-A28 PolarHBondContact O-N 3.47Å; V24-A28 VanDerWaalsContact O-N 3.08Å
25	S	48.4	Very low	47.3	Very low	62 Å²	62	91.1 Å²	91.1	43%	0.434	55%	0.549	S	S	.	.	H	α-helix	trans	-71.3	-31.1	175.1	59.2	0	0	0	0	113.4	L21 L22 S29	L21-S25 PolarHBondContact O-N 3.48Å; L21-S25 VanDerWaalsContact O-N 3.17Å; L21-S25 PolarHBondContact O-OG 3.45Å; L22-S25 PolarHBondContact O-OG 2.86Å; S25-S29 PolarHBondContact O-N 3.5Å; S25-S29 PolarHBondContact O-OG 3.37Å
26	A	47.6	Very low	47.3	Very low	62 Å²	62	92.3 Å²	92.3	51%	0.512	55%	0.548	S	S	.	.	H	α-helix	trans	-70.9	-34.1	173.6	0	0	0	0	0	112.8	L22 L23 A30	L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.1Å; L23-A26 PolarHBondContact O-N 3.14Å; A26-A30 PolarHBondContact O-N 3.4Å
27	I	49.4	Very low	47.1	Very low	92 Å²	92	96.6 Å²	96.6	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-74.3	-39	176.8	-61	158.9	0	0	0	110.9	L23 V24 S29 A30 E31	L23-I27 VanDerWaalsContact O-CD1 3.3Å; L23-I27 WeakPolarHBondContact O-CD1 3.44Å; L23-I27 WeakPolarHBondContact O-CG1 3.47Å; L23-I27 PolarHBondContact O-N 3.23Å; V24-I27 PolarHBondContact O-N 3.23Å; I27-S29 VanDerWaalsContact C-N 3.29Å; I27-S29 PolarHBondContact O-N 3.39Å; I27-A30 WeakPolarHBondContact O-CB 3Å; I27-A30 PolarHBondContact O-N 3.48Å; I27-E31 PolarHBondContact O-N 3.46Å
28	A	47.1	Very low	47.2	Very low	51 Å²	51	95.1 Å²	95.1	42%	0.421	55%	0.554	S	S	.	*	H	α-helix	trans	-61.8	-36.2	175.2	0	0	0	0	0	112.7	V24 A30 E31 E32	V24-A28 PolarHBondContact O-N 3.47Å; V24-A28 VanDerWaalsContact O-N 3.08Å; A28-A30 VanDerWaalsContact C-N 3.28Å; A28-A30 PolarHBondContact O-N 2.8Å; A28-E31 PolarHBondContact O-N 2.98Å; A28-E32 PolarHBondContact O-N 2.79Å
29	S	43.4	Very low	47.4	Very low	87 Å²	87	93.5 Å²	93.5	61%	0.608	54%	0.544	S	S	*	.	H	α-helix	trans	-72	-20.9	175.9	-56.4	0	0	0	0	113.2	S25 I27	S25-S29 PolarHBondContact O-N 3.5Å; S25-S29 PolarHBondContact O-OG 3.37Å; I27-S29 VanDerWaalsContact C-N 3.29Å; I27-S29 PolarHBondContact O-N 3.39Å
30	A	45.5	Very low	47.6	Very low	60 Å²	60	98.3 Å²	98.3	50%	0.496	56%	0.557	S	S	.	*	H	α-helix	trans	-83.1	-28.7	177	0	0	0	0	0	112.6	A26 I27 A28	A26-A30 PolarHBondContact O-N 3.4Å; I27-A30 WeakPolarHBondContact O-CB 3Å; I27-A30 PolarHBondContact O-N 3.48Å; A28-A30 VanDerWaalsContact C-N 3.28Å; A28-A30 PolarHBondContact O-N 2.8Å
31	E	42.8	Very low	47.8	Very low	139 Å²	139	99.8 Å²	99.8	65%	0.65	56%	0.564	S	S	*	*	H	α-helix	trans	-79.8	-33.4	177	-73.9	-175.9	154.8	0	0	113.2	I27 A28 G33 T34	I27-E31 PolarHBondContact O-N 3.46Å; A28-E31 PolarHBondContact O-N 2.98Å; E31-G33 VanDerWaalsContact C-N 3.31Å; E31-G33 PolarHBondContact O-N 3.33Å; E31-T34 PolarHBondContact O-OG1 3.28Å
32	E	39.8	Very low	48.5	Very low	144 Å²	144	98.3 Å²	98.3	67%	0.673	55%	0.554	S	S	*	*	H	α-helix	trans	-68.4	-30.9	173.1	-80.8	178.9	156.6	0	0	112.4	A28 L36	A28-E32 PolarHBondContact O-N 2.79Å; E32-L36 PolarHBondContact O-N 3.47Å
33	G	35.9	Very low	49.2	Very low	36 Å²	36	95.4 Å²	95.4	37%	0.371	54%	0.539	S	S	.	.	H	α-helix	trans	-73.1	-23.1	179.2	0	0	0	0	0	115.2	E31	E31-G33 VanDerWaalsContact C-N 3.31Å; E31-G33 PolarHBondContact O-N 3.33Å
34	T	44.3	Very low	50.3	Low	89 Å²	89	96.5 Å²	96.5	55%	0.546	54%	0.536	S	S	.	.	H	α-helix	trans	-85.6	-35.3	178.4	52.9	0	0	0	0	111.9	E31 K37 N38	E31-T34 PolarHBondContact O-OG1 3.28Å; T34-K37 PolarHBondContact O-N 3.45Å; T34-N38 PolarHBondContact O-N 3.17Å; T34-N38 VanDerWaalsContact O-N 3.15Å
35	H	43.9	Very low	51.5	Low	151 Å²	151	96.4 Å²	96.4	70%	0.699	55%	0.546	S	S	*	.	H	α-helix	trans	-70	-34.7	178.2	-153.8	-74.9	0	0	0	112.8	S39	H35-S39 PolarHBondContact O-N 3.01Å
36	L	47.3	Very low	52.5	Low	121 Å²	121	97.4 Å²	97.4	63%	0.634	57%	0.566	S	S	*	*	H	α-helix	trans	-73	-28.9	174.1	-81.6	157.1	0	0	0	113.5	E32 S39	E32-L36 PolarHBondContact O-N 3.47Å; L36-S39 PolarHBondContact O-OG 2.88Å; L36-S39 VanDerWaalsContact O-OG 3.04Å
37	K	48.9	Very low	53.2	Low	152 Å²	152	96.2 Å²	96.2	66%	0.661	56%	0.559	S	S	*	*	H	α-helix	trans	-75.8	-37.6	176	-84.6	179.3	176	177	0	112.5	T34 Q40	T34-K37 PolarHBondContact O-N 3.45Å; K37-Q40 PolarHBondContact O-N 3.39Å
38	N	51.6	Low	53.9	Low	110 Å²	110	98.9 Å²	98.9	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-66	-38.9	175.3	-93.6	2	0	0	0	112	T34 Q40 C41 H42	T34-N38 PolarHBondContact O-N 3.17Å; T34-N38 VanDerWaalsContact O-N 3.15Å; N38-Q40 VanDerWaalsContact C-N 3.3Å; N38-Q40 PolarHBondContact O-N 3.07Å; N38-C41 PolarHBondContact O-N 2.87Å; N38-H42 PolarHBondContact O-CD2 3.46Å
39	S	53.3	Low	54.7	Low	49 Å²	49	98.2 Å²	98.2	34%	0.343	56%	0.56	S	S	.	*	H	α-helix	trans	-67.8	-25.8	-179.5	67.6	0	0	0	0	113.9	H35 L36 H42 N43	H35-S39 PolarHBondContact O-N 3.01Å; L36-S39 PolarHBondContact O-OG 2.88Å; L36-S39 VanDerWaalsContact O-OG 3.04Å; S39-H42 PolarHBondContact O-N 3.17Å; S39-N43 PolarHBondContact O-N 3.07Å; S39-N43 PolarHBondContact O-ND2 2.88Å
40	Q	56.7	Low	55.5	Low	151 Å²	151	98.4 Å²	98.4	71%	0.706	55%	0.548	S	S	*	.	H	α-helix	trans	-70.9	-35.2	174.1	-83.4	-177	-10.7	0	0	113	K37 N38 H42 N43	K37-Q40 PolarHBondContact O-N 3.39Å; N38-Q40 VanDerWaalsContact C-N 3.3Å; N38-Q40 PolarHBondContact O-N 3.07Å; Q40-H42 PolarHBondContact O-N 3.39Å; Q40-N43 PolarHBondContact O-N 2.83Å
41	C	58.9	Low	56	Low	82 Å²	82	98.8 Å²	98.8	55%	0.554	55%	0.545	S	S	*	.	H	α-helix	trans	-64.7	-32	176.7	-67.5	0	0	0	0	111.4	N38 Y50	N38-C41 PolarHBondContact O-N 2.87Å; C41-Y50 VanDerWaalsContact O-CE2 3.27Å; C41-Y50 WeakPolarHBondContact O-CE2 3.1Å
42	H	63.8	Low	56.5	Low	88 Å²	88	93.9 Å²	93.9	41%	0.407	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5	-176.3	-65.1	-73.7	0	0	0	115.3	N38 S39 Q40 H48 V49 Y50	N38-H42 PolarHBondContact O-CD2 3.46Å; S39-H42 PolarHBondContact O-N 3.17Å; Q40-H42 PolarHBondContact O-N 3.39Å; H42-H48 CarbonylContact O-C 3.54Å; H42-H48 WeakPolarHBondContact O-CA 3.44Å; H42-V49 PolarHBondContact O-N 3Å; H42-Y50 HydrophobicContact CB-CD2 4.14Å; H42-Y50 AromaticContact CE1-CD2 3.84Å; H42-Y50 AromaticContact CG-CD2 3.84Å; H42-Y50 AromaticContact ND1-CD2 2.98Å; H42-Y50 WeakPolarHBondContact ND1-CD2 3.17Å; H42-Y50 AromaticContact ND1-CE2 3.51Å; H42-Y50 AromaticContact ND1-CG 3.69Å
43	N	64.8	Low	57.1	Low	63 Å²	63	94.2 Å²	94.2	34%	0.337	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.8	-174.6	-63.2	-61	0	0	0	112.6	S39 Q40 G47 H48	S39-N43 PolarHBondContact O-N 3.07Å; S39-N43 PolarHBondContact O-ND2 2.88Å; Q40-N43 PolarHBondContact O-N 2.83Å; N43-G47 CarbonylContact C-O 3.5Å; N43-G47 WeakPolarHBondContact CA-O 3.34Å; N43-H48 PolarHBondContact OD1-CE1 2.9Å; N43-H48 PolarHBondContact OD1-ND1 3.42Å
44	Y	71.4	Confident	57.6	Low	138 Å²	138	97.4 Å²	97.4	54%	0.541	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.4	134.3	175	-179.3	-101	0	0	0	111.3	G46 G47 F112	Y44-G46 PolarHBondContact O-N 3.39Å; Y44-G47 PolarHBondContact N-O 3.45Å; Y44-G47 PolarHBondContact O-N 3.06Å; Y44-F112 HydrophobicContact CD1-CZ 4.25Å; Y44-F112 HydrophobicContact CD2-CE1 4.03Å; Y44-F112 AromaticContact CD2-CZ 3.74Å; Y44-F112 HydrophobicContact CD2-CZ 3.74Å; Y44-F112 HydrophobicContact CE2-CE1 4.42Å; Y44-F112 HydrophobicContact CE2-CZ 4.46Å; Y44-F112 HydrophobicContact CG-CE1 4.34Å; Y44-F112 AromaticContact CG-CZ 3.61Å; Y44-F112 HydrophobicContact CG-CZ 3.61Å
45	A	76	Confident	57.9	Low	98 Å²	98	99.5 Å²	99.5	81%	0.81	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.7	29.5	-176.5	0	0	0	0	0	114.1
46	G	70.1	Confident	58.2	Low	83 Å²	83	101.5 Å²	101.5	86%	0.856	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.3	-0	-177.4	0	0	0	0	0	115.8	Y44	Y44-G46 PolarHBondContact O-N 3.39Å
47	G	62.9	Low	58.5	Low	36 Å²	36	99.9 Å²	99.9	37%	0.371	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	160.7	173.7	0	0	0	0	0	113.5	N43 Y44	N43-G47 CarbonylContact C-O 3.5Å; N43-G47 WeakPolarHBondContact CA-O 3.34Å; Y44-G47 PolarHBondContact N-O 3.45Å; Y44-G47 PolarHBondContact O-N 3.06Å
48	H	64	Low	58.5	Low	149 Å²	149	97.3 Å²	97.3	69%	0.69	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.3	131.7	177.2	-66.6	-55.1	0	0	0	111.9	H42 N43	H42-H48 CarbonylContact O-C 3.54Å; H42-H48 WeakPolarHBondContact O-CA 3.44Å; N43-H48 PolarHBondContact OD1-CE1 2.9Å; N43-H48 PolarHBondContact OD1-ND1 3.42Å
49	V	62.9	Low	58.6	Low	37 Å²	37	99.6 Å²	99.6	22%	0.224	57%	0.571	C	S	.	*	S	Bend	trans	-85.9	-27.1	178.5	179.7	0	0	0	0	112.1	H42 F112	H42-V49 PolarHBondContact O-N 3Å; V49-F112 HydrophobicContact CB-CE2 4.28Å; V49-F112 HydrophobicContact CG1-CD2 3.78Å; V49-F112 HydrophobicContact CG1-CE2 3.55Å; V49-F112 HydrophobicContact CG2-CE2 3.67Å; V49-F112 HydrophobicContact CG2-CZ 4.19Å
50	Y	60.5	Low	58.6	Low	91 Å²	91	102.1 Å²	102.1	36%	0.357	59%	0.589	S	S	.	*	S	Bend	trans	-123.1	149.4	178	-53.2	-93.3	0	0	0	109.5	C41 H42 G52 P210	C41-Y50 VanDerWaalsContact O-CE2 3.27Å; C41-Y50 WeakPolarHBondContact O-CE2 3.1Å; H42-Y50 HydrophobicContact CB-CD2 4.14Å; H42-Y50 AromaticContact CE1-CD2 3.84Å; H42-Y50 AromaticContact CG-CD2 3.84Å; H42-Y50 AromaticContact ND1-CD2 2.98Å; H42-Y50 WeakPolarHBondContact ND1-CD2 3.17Å; H42-Y50 AromaticContact ND1-CE2 3.51Å; H42-Y50 AromaticContact ND1-CG 3.69Å; Y50-G52 PolarHBondContact O-N 3.27Å; Y50-P210 HydrophobicContact CD1-CB 4.05Å; Y50-P210 HydrophobicContact CE1-CB 3.68Å
51	P	56.4	Low	58.5	Low	67 Å²	67	101.9 Å²	101.9	44%	0.435	59%	0.593	S	S	.	*			trans	-60.7	109.7	169	24.4	-31.3	0	0	0	109.1
52	G	53.3	Low	58.2	Low	37 Å²	37	107 Å²	107	38%	0.381	61%	0.608	S	S	.	*			trans	-72.6	161.5	176.6	0	0	0	0	0	111.8	Y50 A54 F55	Y50-G52 PolarHBondContact O-N 3.27Å; G52-A54 PolarHBondContact O-N 3.36Å; G52-F55 PolarHBondContact O-N 3.05Å
53	E	51.6	Low	58.3	Low	151 Å²	151	108.1 Å²	108.1	71%	0.706	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-55.7	-18	176.3	-65.5	-166.7	127.7	0	0	113.9	F55 R56	E53-F55 PolarHBondContact O-N 3.45Å; E53-R56 WeakPolarHBondContact O-CG 3.3Å; E53-R56 PolarHBondContact O-N 3.35Å; E53-R56 IonicContact OE1-CZ 3.15Å; E53-R56 IonicContact OE1-NH2 2.78Å; E53-R56 PolarHBondContact OE1-NH2 3.08Å
54	A	48.1	Very low	58.9	Low	102 Å²	102	112 Å²	112	84%	0.843	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-66.7	-12.7	174	0	0	0	0	0	114.4	G52	G52-A54 PolarHBondContact O-N 3.36Å
55	F	50.3	Low	59.5	Low	134 Å²	134	111.7 Å²	111.7	59%	0.588	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-100.4	22.9	175.5	-90.1	-87.2	0	0	0	113.4	G52 E53 V57	G52-F55 PolarHBondContact O-N 3.05Å; E53-F55 PolarHBondContact O-N 3.45Å; F55-V57 PolarHBondContact O-N 3.17Å
56	R	49.4	Very low	60.3	Low	192 Å²	192	113.6 Å²	113.6	73%	0.725	64%	0.644	S	S	*	*			trans	-65.8	89.5	165	-72.5	-176	-171.3	172.9	9.5	108.7	E53	E53-R56 WeakPolarHBondContact O-CG 3.3Å; E53-R56 PolarHBondContact O-N 3.35Å; E53-R56 IonicContact OE1-CZ 3.15Å; E53-R56 IonicContact OE1-NH2 2.78Å; E53-R56 PolarHBondContact OE1-NH2 3.08Å
57	V	52.8	Low	61.6	Low	88 Å²	88	111.5 Å²	111.5	53%	0.533	62%	0.617	S	S	.	*			trans	-50.3	130.4	169	-174.1	0	0	0	0	107.4	F55 V59	F55-V57 PolarHBondContact O-N 3.17Å; V57-V59 PolarHBondContact O-N 3.04Å
58	P	50.3	Low	63.3	Low	98 Å²	98	115.4 Å²	115.4	64%	0.636	62%	0.624	S	S	*	*			trans	-54.8	128.6	175.4	22.1	-31.5	0	0	0	109	S60	P58-S60 PolarHBondContact O-N 3.36Å
59	V	52.6	Low	64.9	Low	157 Å²	157	109 Å²	109	95%	0.952	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	53.2	-173	-169.8	0	0	0	0	110.9	V57	V57-V59 PolarHBondContact O-N 3.04Å
60	S	53.3	Low	66.6	Low	102 Å²	102	113.4 Å²	113.4	71%	0.713	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.9	16.9	-177.8	61.6	0	0	0	0	114.5	P58	P58-S60 PolarHBondContact O-N 3.36Å
61	D	54.2	Low	68.4	Low	147 Å²	147	113.2 Å²	113.2	79%	0.786	62%	0.617	S	S	*	*			trans	-124.2	117.6	167.5	-122.3	-18.4	0	0	0	109.8	S63	D61-S63 PolarHBondContact O-N 3.12Å
62	H	53.5	Low	70.4	Confident	189 Å²	189	114 Å²	114	88%	0.875	62%	0.624	S	S	*	*			trans	-69.1	85.2	167.1	-71.5	-68.1	0	0	0	107.8	L64	H62-L64 PolarHBondContact O-N 3.16Å
63	S	66.6	Low	72.6	Confident	111 Å²	111	117.7 Å²	117.7	78%	0.776	63%	0.629	S	S	*	*			trans	-67.6	113.2	174.3	-177.9	0	0	0	0	109.2	D61 H65	D61-S63 PolarHBondContact O-N 3.12Å; S63-H65 PolarHBondContact O-N 3.09Å
64	L	77.8	Confident	74.8	Confident	144 Å²	144	114.9 Å²	114.9	75%	0.754	62%	0.624	S	S	*	*			trans	-72.5	112.9	174.8	-70.5	173	0	0	0	109	H62 L66	H62-L64 PolarHBondContact O-N 3.16Å; L64-L66 PolarHBondContact O-N 2.89Å
65	H	83.7	Confident	77.2	Confident	132 Å²	132	110.5 Å²	110.5	61%	0.611	59%	0.588	S	S	*	*			trans	-78.9	114.1	167.7	-173.8	-96.1	0	0	0	109.3	S63 G179	S63-H65 PolarHBondContact O-N 3.09Å; H65-G179 PolarHBondContact CE1-O 3.1Å; H65-G179 VanDerWaalsContact CE1-O 3.28Å; H65-G179 PolarHBondContact NE2-O 3.26Å
66	L	92.9	Very high	79.5	Confident	138 Å²	138	104.7 Å²	104.7	72%	0.723	56%	0.563	S	S	*	*			trans	-108.2	134.9	-179.9	-64.7	172.1	0	0	0	109.7	L64	L64-L66 PolarHBondContact O-N 2.89Å
67	S	96.8	Very high	81.9	Confident	40 Å²	40	100.5 Å²	100.5	28%	0.28	56%	0.556	S	S	.	*			trans	-149.7	145.9	174.6	-178.7	0	0	0	0	110.8	A69 D177 Y178 G179	S67-A69 WeakPolarHBondContact OG-CB 3.13Å; S67-A69 PolarHBondContact OG-N 2.92Å; S67-D177 PolarHBondContact OG-O 2.96Å; S67-Y178 VanDerWaalsContact OG-C 3.3Å; S67-Y178 PolarHBondContact OG-O 2.87Å; S67-G179 PolarHBondContact OG-N 2.93Å
68	K	97.9	Very high	84.1	Confident	118 Å²	118	96.6 Å²	96.6	51%	0.513	53%	0.531	S	S	.	.	S	Bend	trans	-84.2	-20.5	169.4	-60.9	177.9	-172	162.5	0	111.2	K70 P76 D177	K68-K70 PolarHBondContact O-N 3.03Å; K68-P76 HydrophobicContact CB-CB 4.1Å; K68-P76 HydrophobicContact CB-CG 3.71Å; K68-D177 WeakPolarHBondContact CB-O 3.48Å; K68-D177 HydrophobicContact CD-CB 4.15Å; K68-D177 WeakPolarHBondContact CE-OD1 3.34Å; K68-D177 PolarHBondContact N-O 3.5Å; K68-D177 IonicContact NZ-OD1 3.6Å; K68-D177 PolarHBondContact NZ-OD1 3.18Å; K68-D177 IonicContact NZ-OD2 2.85Å; K68-D177 PolarHBondContact NZ-OD2 3.38Å
69	A	98.3	Very high	86.4	Confident	13 Å²	13	97.1 Å²	97.1	11%	0.107	53%	0.525	C	S	.	.			trans	-69.6	116	-179	0	0	0	0	0	111.3	S67 P76 D177 Y178 F193 L201	S67-A69 WeakPolarHBondContact OG-CB 3.13Å; S67-A69 PolarHBondContact OG-N 2.92Å; A69-P76 HydrophobicContact CB-CG 4.11Å; A69-D177 PolarHBondContact N-O 3.01Å; A69-Y178 HydrophobicContact CB-CD1 4.5Å; A69-F193 HydrophobicContact CB-CE1 4.06Å; A69-L201 HydrophobicContact CB-CD2 3.87Å
70	K	98.7	Very high	88.6	Confident	130 Å²	130	90.3 Å²	90.3	57%	0.565	49%	0.486	S	S	*	.			trans	-135.2	120.4	179.5	-63.6	177.6	-176	-179.6	0	109	K68 K73	K68-K70 PolarHBondContact O-N 3.03Å; K70-K73 HydrophobicContact CB-CB 4.05Å; K70-K73 HydrophobicContact CB-CG 3.82Å; K70-K73 WeakPolarHBondContact O-CB 3.36Å; K70-K73 PolarHBondContact O-N 3.02Å; K70-K73 VanDerWaalsContact O-N 3.07Å
71	I	98.6	Very high	90.7	Very high	87 Å²	87	87 Å²	87	45%	0.446	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	143.5	174.5	-66.1	174.5	0	0	0	108.9	K73 L201 I204	I71-K73 PolarHBondContact O-N 3.26Å; I71-L201 CarbonylContact C-O 3.47Å; I71-L201 WeakPolarHBondContact CA-O 3.48Å; I71-L201 HydrophobicContact CG1-CG 4.47Å; I71-I204 HydrophobicContact CD1-CD1 4.37Å; I71-I204 HydrophobicContact CD1-CG1 4.16Å; I71-I204 HydrophobicContact CG1-CD1 3.99Å; I71-I204 HydrophobicContact CG1-CG1 3.96Å
72	S	97.9	Very high	92.9	Very high	83 Å²	83	80 Å²	80	58%	0.58	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-0	-173.2	79.3	0	0	0	0	116.2	L201	S72-L201 PolarHBondContact N-O 2.97Å
73	K	98.6	Very high	95	Very high	116 Å²	116	71.2 Å²	71.2	50%	0.504	38%	0.384	S	S	.	.	S	Bend	trans	-108.7	162.3	174	-56.3	-58	179.7	-173	0	110.4	K70 I71 A75 L201	K70-K73 HydrophobicContact CB-CB 4.05Å; K70-K73 HydrophobicContact CB-CG 3.82Å; K70-K73 WeakPolarHBondContact O-CB 3.36Å; K70-K73 PolarHBondContact O-N 3.02Å; K70-K73 VanDerWaalsContact O-N 3.07Å; I71-K73 PolarHBondContact O-N 3.26Å; K73-A75 PolarHBondContact O-N 2.89Å; K73-L201 PolarHBondContact O-N 3.46Å
74	P	98.8	Very high	96.5	Very high	91 Å²	91	67.6 Å²	67.6	59%	0.591	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-51.2	133.8	169.1	-26.3	35.6	0	0	0	110.7	G199 I200	P74-G199 WeakPolarHBondContact CA-O 3.41Å; P74-I200 HydrophobicContact CB-CD1 4.47Å; P74-I200 HydrophobicContact CG-CD1 4Å
75	A	98.8	Very high	97.4	Very high	10 Å²	10	67 Å²	67	8%	0.083	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63.1	145.2	175	0	0	0	0	0	110.2	K73 N77 L93 I195 G199 L201	K73-A75 PolarHBondContact O-N 2.89Å; A75-N77 PolarHBondContact O-N 3.35Å; A75-L93 HydrophobicContact CB-CD2 4.11Å; A75-I195 HydrophobicContact CB-CD1 3.65Å; A75-I195 HydrophobicContact CB-CG1 3.9Å; A75-I195 HydrophobicContact CB-CG2 4.09Å; A75-G199 PolarHBondContact N-O 3.46Å; A75-L201 HydrophobicContact CB-CB 4.27Å
76	P	98.8	Very high	98	Very high	12 Å²	12	62.6 Å²	62.6	8%	0.078	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-56.8	128.9	176.4	-22.5	32.9	0	0	0	110.6	K68 A69 D177 Y178	K68-P76 HydrophobicContact CB-CB 4.1Å; K68-P76 HydrophobicContact CB-CG 3.71Å; A69-P76 HydrophobicContact CB-CG 4.11Å; P76-D177 HydrophobicContact CB-CB 4.19Å; P76-Y178 HydrophobicContact CB-CD2 4.18Å; P76-Y178 HydrophobicContact CB-CE2 3.74Å; P76-Y178 HydrophobicContact CG-CD2 4.34Å; P76-Y178 HydrophobicContact CG-CE2 4.13Å; P76-Y178 WeakPolarHBondContact O-CE2 3.47Å; P76-Y178 PolarHBondContact O-OH 2.73Å
77	N	98.6	Very high	98.2	Very high	105 Å²	105	61.3 Å²	61.3	56%	0.561	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-66.1	145.5	-179.9	-168.3	54.6	0	0	0	110.8	A75	A75-N77 PolarHBondContact O-N 3.35Å
78	W	98.8	Very high	98.3	Very high	6 Å²	6	63.6 Å²	63.6	2%	0.023	34%	0.339	C	S	.	.			trans	-143.7	152.7	174.4	55.4	-103.4	0	0	0	110.6	L91 K92 L93 Y96 L101 F103 L167 I174 Y178	W78-L91 HydrophobicContact CH2-CD2 3.99Å; W78-L91 HydrophobicContact CH2-CG 4Å; W78-L91 HydrophobicContact CZ3-CB 4.29Å; W78-L91 HydrophobicContact CZ3-CD2 4.12Å; W78-L91 HydrophobicContact CZ3-CG 3.89Å; W78-L91 WeakPolarHBondContact CZ3-O 3.47Å; W78-K92 VanDerWaalsContact CZ3-C 3.4Å; W78-K92 WeakPolarHBondContact O-CA 3.46Å; W78-L93 HydrophobicContact CD2-CB 3.95Å; W78-L93 HydrophobicContact CG-CB 4.13Å; W78-L93 HydrophobicContact CZ2-CB 4.09Å; W78-L93 HydrophobicContact CZ2-CD1 4.2Å; W78-L93 PolarHBondContact O-N 3.1Å; W78-Y96 HydrophobicContact CH2-CD2 4.25Å; W78-Y96 AromaticContact CH2-CE2 3.83Å; W78-Y96 HydrophobicContact CH2-CE2 3.83Å; W78-Y96 HydrophobicContact CZ2-CD2 4.41Å; W78-Y96 HydrophobicContact CZ2-CE2 4.35Å; W78-L101 HydrophobicContact CZ2-CD2 4.05Å; W78-F103 AromaticContact CD1-CE1 3.94Å; W78-F103 HydrophobicContact CZ2-CD2 4.38Å; W78-F103 HydrophobicContact CZ2-CE2 4.4Å; W78-F103 AromaticContact NE1-CD1 3.93Å; W78-F103 AromaticContact NE1-CE1 3.79Å; W78-F103 AromaticContact NE1-CZ 3.99Å; W78-L167 HydrophobicContact CD2-CD2 4.16Å; W78-L167 HydrophobicContact CE3-CD2 3.66Å; W78-L167 HydrophobicContact CH2-CD2 4.43Å; W78-L167 HydrophobicContact CZ3-CD1 4.32Å; W78-L167 HydrophobicContact CZ3-CD2 3.81Å; W78-I174 HydrophobicContact CB-CD1 4.08Å; W78-I174 HydrophobicContact CB-CG1 4.02Å; W78-I174 HydrophobicContact CB-CG2 3.83Å; W78-I174 HydrophobicContact CG-CG2 4.28Å; W78-Y178 AromaticContact CD1-CE2 3.77Å; W78-Y178 AromaticContact CD1-CZ 3.83Å
79	E	98.7	Very high	98.4	Very high	109 Å²	109	61.6 Å²	61.6	51%	0.509	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147.1	169.9	59.5	-178.5	-166.8	0	0	108.5	L91 K92	E79-L91 WeakPolarHBondContact CA-O 3.36Å; E79-K92 HydrophobicContact CB-CB 4.32Å; E79-K92 HydrophobicContact CB-CD 4.02Å; E79-K92 HydrophobicContact CB-CG 3.74Å; E79-K92 WeakPolarHBondContact OE2-CE 3.34Å; E79-K92 IonicContact OE2-NZ 3.35Å; E79-K92 PolarHBondContact OE2-NZ 3.01Å
80	G	98.6	Very high	98.4	Very high	13 Å²	13	66.6 Å²	66.6	13%	0.134	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	173.7	176.2	0	0	0	0	0	112.8	L91	G80-L91 PolarHBondContact N-O 3.01Å; G80-L91 PolarHBondContact O-N 3.35Å
81	T	98.8	Very high	98.4	Very high	34 Å²	34	61 Å²	61	21%	0.209	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.1	177.5	-47.7	0	0	0	0	110.4	F88 E90 Q143 S168	T81-F88 HydrophobicContact CG2-CB 4.02Å; T81-E90 WeakPolarHBondContact CB-OE1 3.39Å; T81-E90 PolarHBondContact OG1-OE1 3.44Å; T81-Q143 HydrophobicContact CG2-CB 4.17Å; T81-Q143 HydrophobicContact CG2-CG 3.98Å; T81-S168 WeakPolarHBondContact O-CB 3.48Å; T81-S168 PolarHBondContact O-N 3.14Å
82	A	98.9	Very high	98.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.6	174.4	0	0	0	0	0	111.6	I84 F88 K89 L91 P165 L166 L167	A82-I84 HydrophobicContact CB-CD1 4.41Å; A82-I84 HydrophobicContact CB-CG1 4.18Å; A82-F88 WeakPolarHBondContact O-CA 3.44Å; A82-K89 PolarHBondContact N-O 2.81Å; A82-K89 PolarHBondContact O-N 2.9Å; A82-L91 HydrophobicContact CB-CB 4.11Å; A82-L91 HydrophobicContact CB-CD2 4.11Å; A82-P165 HydrophobicContact CB-CB 4.32Å; A82-L166 CarbonylContact C-O 3.58Å; A82-L166 WeakPolarHBondContact CA-O 3.12Å; A82-L166 WeakPolarHBondContact CB-O 3.4Å; A82-L167 HydrophobicContact CB-CB 4.43Å; A82-L167 HydrophobicContact CB-CD1 4.08Å
83	V	98.8	Very high	98.4	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.7	165.9	-170.6	0	0	0	0	108.8	E87 F88 Q143 H146 L147 I150 L166	V83-E87 WeakPolarHBondContact CA-O 3.3Å; V83-F88 HydrophobicContact CG2-CD1 4Å; V83-F88 HydrophobicContact CG2-CE1 3.94Å; V83-Q143 HydrophobicContact CG2-CB 4.21Å; V83-Q143 WeakPolarHBondContact CG2-O 3.17Å; V83-H146 HydrophobicContact CB-CB 4.49Å; V83-H146 HydrophobicContact CG2-CB 3.62Å; V83-L147 HydrophobicContact CG1-CB 4.49Å; V83-L147 HydrophobicContact CG1-CD1 4.11Å; V83-L147 HydrophobicContact CG2-CB 4.38Å; V83-I150 HydrophobicContact CB-CD1 4.04Å; V83-I150 HydrophobicContact CG1-CD1 3.64Å; V83-L166 PolarHBondContact N-O 2.8Å; V83-L166 PolarHBondContact O-N 3.45Å
84	I	98.6	Very high	98.4	Very high	35 Å²	35	55.3 Å²	55.3	18%	0.179	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.2	-179.9	-53.5	-179.4	0	0	0	108	A82 G86 E87 K89 L91 P165	A82-I84 HydrophobicContact CB-CD1 4.41Å; A82-I84 HydrophobicContact CB-CG1 4.18Å; I84-G86 PolarHBondContact O-N 3.29Å; I84-E87 PolarHBondContact N-O 2.85Å; I84-E87 PolarHBondContact O-N 3.33Å; I84-K89 HydrophobicContact CB-CD 4.18Å; I84-K89 HydrophobicContact CD1-CB 4.15Å; I84-K89 HydrophobicContact CD1-CD 4.49Å; I84-L91 HydrophobicContact CD1-CD1 4.23Å; I84-P165 HydrophobicContact CD1-CB 4.17Å; I84-P165 HydrophobicContact CD1-CG 4.09Å; I84-P165 HydrophobicContact CG1-CB 3.87Å; I84-P165 HydrophobicContact CG1-CG 4.06Å
85	D	96.2	Very high	98.4	Very high	132 Å²	132	55.6 Å²	55.6	71%	0.706	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	33.4	-176.5	-56.4	-43	0	0	0	113.6	E87	D85-E87 VanDerWaalsContact C-N 3.29Å; D85-E87 PolarHBondContact O-N 3.47Å
86	G	96.1	Very high	98.4	Very high	40 Å²	40	56.4 Å²	56.4	41%	0.412	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	3.7	-178.6	0	0	0	0	0	115.1	I84	I84-G86 PolarHBondContact O-N 3.29Å
87	E	98.2	Very high	98.4	Very high	111 Å²	111	64.4 Å²	64.4	52%	0.519	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	152.1	179.2	-61.9	179.2	156.9	0	0	111.5	V83 I84 D85 K89	V83-E87 WeakPolarHBondContact CA-O 3.3Å; I84-E87 PolarHBondContact N-O 2.85Å; I84-E87 PolarHBondContact O-N 3.33Å; D85-E87 VanDerWaalsContact C-N 3.29Å; D85-E87 PolarHBondContact O-N 3.47Å; E87-K89 WeakPolarHBondContact OE2-CE 3.29Å; E87-K89 IonicContact OE2-NZ 3.72Å; E87-K89 PolarHBondContact OE2-NZ 3.23Å
88	F	98.7	Very high	98.4	Very high	88 Å²	88	61.6 Å²	61.6	39%	0.386	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.8	172.1	-55.8	-36.6	0	0	0	110.3	T81 A82 V83 Q143 F144 L147	T81-F88 HydrophobicContact CG2-CB 4.02Å; A82-F88 WeakPolarHBondContact O-CA 3.44Å; V83-F88 HydrophobicContact CG2-CD1 4Å; V83-F88 HydrophobicContact CG2-CE1 3.94Å; F88-Q143 HydrophobicContact CD1-CB 3.98Å; F88-Q143 HydrophobicContact CD1-CG 3.85Å; F88-Q143 HydrophobicContact CD2-CG 4.47Å; F88-Q143 HydrophobicContact CE1-CB 3.99Å; F88-Q143 HydrophobicContact CE1-CG 3.85Å; F88-Q143 WeakPolarHBondContact CE1-O 3.43Å; F88-Q143 HydrophobicContact CE2-CG 4.47Å; F88-Q143 HydrophobicContact CG-CG 4.18Å; F88-Q143 HydrophobicContact CZ-CG 4.17Å; F88-F144 AromaticContact CE2-CD1 3.86Å; F88-F144 HydrophobicContact CE2-CD1 3.86Å; F88-F144 AromaticContact CE2-CE1 3.65Å; F88-F144 HydrophobicContact CE2-CE1 3.65Å; F88-F144 AromaticContact CZ-CD1 3.71Å; F88-F144 HydrophobicContact CZ-CD1 3.71Å; F88-F144 HydrophobicContact CZ-CE1 4.01Å; F88-F144 HydrophobicContact CZ-CG 4.49Å; F88-L147 HydrophobicContact CE1-CB 4.04Å; F88-L147 HydrophobicContact CE1-CD2 3.95Å; F88-L147 HydrophobicContact CZ-CB 4.38Å; F88-L147 HydrophobicContact CZ-CD2 3.79Å
89	K	98.7	Very high	98.4	Very high	76 Å²	76	65 Å²	65	33%	0.33	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.7	180	-65	-176.5	-179.9	150.5	0	110.2	A82 I84 E87	A82-K89 PolarHBondContact N-O 2.81Å; A82-K89 PolarHBondContact O-N 2.9Å; I84-K89 HydrophobicContact CB-CD 4.18Å; I84-K89 HydrophobicContact CD1-CB 4.15Å; I84-K89 HydrophobicContact CD1-CD 4.49Å; E87-K89 WeakPolarHBondContact OE2-CE 3.29Å; E87-K89 IonicContact OE2-NZ 3.72Å; E87-K89 PolarHBondContact OE2-NZ 3.23Å
90	E	98.6	Very high	98.4	Very high	117 Å²	117	60.6 Å²	60.6	55%	0.547	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.4	168.3	-68.7	-57.6	120.5	0	0	109.5	T81	T81-E90 WeakPolarHBondContact CB-OE1 3.39Å; T81-E90 PolarHBondContact OG1-OE1 3.44Å
91	L	98.7	Very high	98.4	Very high	13 Å²	13	60 Å²	60	7%	0.068	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139	-178.1	-171	70.1	0	0	0	109.7	W78 E79 G80 A82 I84 Y96 V136 P165 L167	W78-L91 HydrophobicContact CH2-CD2 3.99Å; W78-L91 HydrophobicContact CH2-CG 4Å; W78-L91 HydrophobicContact CZ3-CB 4.29Å; W78-L91 HydrophobicContact CZ3-CD2 4.12Å; W78-L91 HydrophobicContact CZ3-CG 3.89Å; W78-L91 WeakPolarHBondContact CZ3-O 3.47Å; E79-L91 WeakPolarHBondContact CA-O 3.36Å; G80-L91 PolarHBondContact N-O 3.01Å; G80-L91 PolarHBondContact O-N 3.35Å; A82-L91 HydrophobicContact CB-CB 4.11Å; A82-L91 HydrophobicContact CB-CD2 4.11Å; I84-L91 HydrophobicContact CD1-CD1 4.23Å; L91-Y96 HydrophobicContact CD1-CE2 3.89Å; L91-Y96 HydrophobicContact CD2-CE2 4.17Å; L91-Y96 WeakPolarHBondContact CD2-OH 3.46Å; L91-Y96 HydrophobicContact CG-CE2 4.07Å; L91-V136 HydrophobicContact CD2-CG1 4.32Å; L91-V136 HydrophobicContact CD2-CG2 4.23Å; L91-P165 HydrophobicContact CD2-CB 3.89Å; L91-P165 HydrophobicContact CD2-CG 4.24Å; L91-L167 HydrophobicContact CB-CD1 4.47Å
92	K	98.8	Very high	98.4	Very high	78 Å²	78	58.4 Å²	58.4	34%	0.339	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.9	-179.4	-46.8	-166.5	-177.1	-152	0	111.5	W78 E79 S94 D95	W78-K92 VanDerWaalsContact CZ3-C 3.4Å; W78-K92 WeakPolarHBondContact O-CA 3.46Å; E79-K92 HydrophobicContact CB-CB 4.32Å; E79-K92 HydrophobicContact CB-CD 4.02Å; E79-K92 HydrophobicContact CB-CG 3.74Å; E79-K92 WeakPolarHBondContact OE2-CE 3.34Å; E79-K92 IonicContact OE2-NZ 3.35Å; E79-K92 PolarHBondContact OE2-NZ 3.01Å; K92-S94 PolarHBondContact O-N 3.25Å; K92-D95 PolarHBondContact N-OD2 3.22Å; K92-D95 WeakPolarHBondContact O-CB 3.35Å; K92-D95 PolarHBondContact O-N 3.36Å; K92-D95 VanDerWaalsContact O-N 3.1Å
93	L	98.8	Very high	98.4	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.094	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-55.4	-38.5	173	178.4	59	0	0	0	112	A75 W78 D95 Y96 L101 I195	A75-L93 HydrophobicContact CB-CD2 4.11Å; W78-L93 HydrophobicContact CD2-CB 3.95Å; W78-L93 HydrophobicContact CG-CB 4.13Å; W78-L93 HydrophobicContact CZ2-CB 4.09Å; W78-L93 HydrophobicContact CZ2-CD1 4.2Å; W78-L93 PolarHBondContact O-N 3.1Å; L93-D95 PolarHBondContact O-N 2.96Å; L93-Y96 PolarHBondContact O-N 3.03Å; L93-L101 HydrophobicContact CD1-CD2 3.67Å; L93-I195 HydrophobicContact CD1-CD1 3.92Å
94	S	98.4	Very high	98.4	Very high	70 Å²	70	58.3 Å²	58.3	49%	0.49	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-61	-23.2	-179.1	52.4	0	0	0	0	114.2	K92 Y96 K97	K92-S94 PolarHBondContact O-N 3.25Å; S94-Y96 PolarHBondContact O-N 3.13Å; S94-K97 WeakPolarHBondContact O-CB 3.2Å; S94-K97 PolarHBondContact O-N 3.42Å
95	D	98.6	Very high	98.4	Very high	97 Å²	97	56.6 Å²	56.6	52%	0.519	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-69.1	-18.4	-178.5	-55.8	-21.8	0	0	0	111.7	K92 L93	K92-D95 PolarHBondContact N-OD2 3.22Å; K92-D95 WeakPolarHBondContact O-CB 3.35Å; K92-D95 PolarHBondContact O-N 3.36Å; K92-D95 VanDerWaalsContact O-N 3.1Å; L93-D95 PolarHBondContact O-N 2.96Å
96	Y	98.6	Very high	98.5	Very high	28 Å²	28	50.3 Å²	50.3	11%	0.11	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-95	5.5	179.3	-63.8	-82.2	0	0	0	113.7	W78 L91 L93 S94 G98 K99 L101 E134 V136	W78-Y96 HydrophobicContact CH2-CD2 4.25Å; W78-Y96 AromaticContact CH2-CE2 3.83Å; W78-Y96 HydrophobicContact CH2-CE2 3.83Å; W78-Y96 HydrophobicContact CZ2-CD2 4.41Å; W78-Y96 HydrophobicContact CZ2-CE2 4.35Å; L91-Y96 HydrophobicContact CD1-CE2 3.89Å; L91-Y96 HydrophobicContact CD2-CE2 4.17Å; L91-Y96 WeakPolarHBondContact CD2-OH 3.46Å; L91-Y96 HydrophobicContact CG-CE2 4.07Å; L93-Y96 PolarHBondContact O-N 3.03Å; S94-Y96 PolarHBondContact O-N 3.13Å; Y96-G98 PolarHBondContact O-N 3.44Å; Y96-K99 PolarHBondContact O-N 2.58Å; Y96-L101 HydrophobicContact CD1-CD1 3.93Å; Y96-L101 HydrophobicContact CD2-CD1 4.44Å; Y96-L101 HydrophobicContact CD2-CD2 4.02Å; Y96-L101 HydrophobicContact CE1-CD1 4.09Å; Y96-L101 HydrophobicContact CG-CD1 4.11Å; Y96-L101 HydrophobicContact CG-CD2 4.03Å; Y96-L101 HydrophobicContact CG-CG 4.46Å; Y96-E134 HydrophobicContact CD1-CB 3.66Å; Y96-E134 HydrophobicContact CD1-CG 3.82Å; Y96-E134 HydrophobicContact CE1-CB 3.53Å; Y96-E134 HydrophobicContact CE1-CG 3.82Å; Y96-V136 HydrophobicContact CE1-CG2 4.18Å; Y96-V136 HydrophobicContact CE2-CG2 4.03Å; Y96-V136 WeakPolarHBondContact OH-CG2 3.47Å
97	K	97.8	Very high	98.6	Very high	179 Å²	179	48.9 Å²	48.9	78%	0.778	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	132.9	178.7	-170.8	175.4	-177.5	178.2	0	111	S94 K99	S94-K97 WeakPolarHBondContact O-CB 3.2Å; S94-K97 PolarHBondContact O-N 3.42Å; K97-K99 VanDerWaalsContact C-N 3.32Å
98	G	98.4	Very high	98.6	Very high	47 Å²	47	46.2 Å²	46.2	49%	0.485	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-6	-175.1	0	0	0	0	0	114.7	Y96 N132 G197	Y96-G98 PolarHBondContact O-N 3.44Å; G98-N132 PolarHBondContact O-ND2 3.47Å; G98-G197 WeakPolarHBondContact CA-O 3.43Å; G98-G197 PolarHBondContact N-O 2.97Å
99	K	98.8	Very high	98.6	Very high	77 Å²	77	42.5 Å²	42.5	34%	0.335	22%	0.217	S	C	.	.	S	Bend	trans	-117	151.2	172.2	-55.9	-170.7	176.8	177.1	0	110.3	Y96 K97 E134 G197	Y96-K99 PolarHBondContact O-N 2.58Å; K97-K99 VanDerWaalsContact C-N 3.32Å; K99-E134 HydrophobicContact CD-CG 3.62Å; K99-E134 IonicContact NZ-OE1 3.33Å; K99-E134 PolarHBondContact NZ-OE1 2.84Å; K99-G197 VanDerWaalsContact O-CA 3.28Å; K99-G197 WeakPolarHBondContact O-CA 3.48Å
100	Y	98.9	Very high	98.5	Very high	16 Å²	16	42.9 Å²	42.9	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	150.1	162.1	-91.4	-107.6	0	0	0	109.2	N132 T133 E134 I194 I195 D196 V222 F225 Q226 D229	Y100-N132 PolarHBondContact N-O 3.17Å; Y100-T133 WeakPolarHBondContact CB-OG1 3.19Å; Y100-T133 CarbonylContact O-C 3.54Å; Y100-T133 VanDerWaalsContact O-CA 3.29Å; Y100-T133 WeakPolarHBondContact O-CA 3.45Å; Y100-E134 PolarHBondContact O-N 2.77Å; Y100-I194 HydrophobicContact CD1-CG2 3.97Å; Y100-I194 HydrophobicContact CE1-CG2 4.32Å; Y100-I195 CarbonylContact C-O 3.44Å; Y100-I195 WeakPolarHBondContact CA-O 3.39Å; Y100-I195 WeakPolarHBondContact CD1-O 3.4Å; Y100-D196 HydrophobicContact CD1-CB 4.29Å; Y100-D196 HydrophobicContact CE1-CB 3.73Å; Y100-D196 HydrophobicContact CE2-CB 3.96Å; Y100-V222 HydrophobicContact CD1-CG1 4.45Å; Y100-F225 HydrophobicContact CE1-CB 3.97Å; Y100-Q226 HydrophobicContact CD2-CG 3.98Å; Y100-Q226 HydrophobicContact CE2-CG 3.65Å; Y100-D229 PolarHBondContact OH-OD2 2.85Å
101	L	98.9	Very high	98.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.3	177.4	174.2	65	0	0	0	109.8	W78 L93 Y96 F103 E134 V136 I195	W78-L101 HydrophobicContact CZ2-CD2 4.05Å; L93-L101 HydrophobicContact CD1-CD2 3.67Å; Y96-L101 HydrophobicContact CD1-CD1 3.93Å; Y96-L101 HydrophobicContact CD2-CD1 4.44Å; Y96-L101 HydrophobicContact CD2-CD2 4.02Å; Y96-L101 HydrophobicContact CE1-CD1 4.09Å; Y96-L101 HydrophobicContact CG-CD1 4.11Å; Y96-L101 HydrophobicContact CG-CD2 4.03Å; Y96-L101 HydrophobicContact CG-CG 4.46Å; L101-F103 HydrophobicContact CD2-CB 4.2Å; L101-F103 HydrophobicContact CG-CB 4.17Å; L101-E134 WeakPolarHBondContact CA-O 3.35Å; L101-E134 HydrophobicContact CD1-CB 4.31Å; L101-V136 HydrophobicContact CD1-CB 4.27Å; L101-V136 HydrophobicContact CD1-CG2 3.84Å; L101-I195 HydrophobicContact CB-CB 4.34Å; L101-I195 HydrophobicContact CD2-CD1 4.25Å; L101-I195 PolarHBondContact N-O 3.39Å; L101-I195 PolarHBondContact O-N 3.08Å
102	V	98.9	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	107.8	161.5	179.4	0	0	0	0	107.2	F121 F128 T133 E134 V135 V136 L192 F193 T218 V222	V102-F121 HydrophobicContact CG1-CE1 4.34Å; V102-F128 HydrophobicContact CG2-CD1 4.16Å; V102-F128 HydrophobicContact CG2-CE1 4.06Å; V102-T133 HydrophobicContact CG2-CG2 4.08Å; V102-E134 PolarHBondContact N-O 3.47Å; V102-V135 HydrophobicContact CB-CG1 4.36Å; V102-V135 HydrophobicContact CB-CG2 4.21Å; V102-V135 HydrophobicContact CG1-CG1 4.42Å; V102-V135 WeakPolarHBondContact O-CA 3.36Å; V102-V136 PolarHBondContact O-N 2.81Å; V102-L192 HydrophobicContact CG1-CD1 3.93Å; V102-L192 HydrophobicContact CG1-CD2 4.32Å; V102-L192 HydrophobicContact CG1-CG 4.04Å; V102-F193 WeakPolarHBondContact CA-O 3.27Å; V102-T218 HydrophobicContact CB-CG2 4.48Å; V102-T218 HydrophobicContact CG1-CG2 3.81Å; V102-T218 HydrophobicContact CG2-CG2 3.78Å; V102-V222 HydrophobicContact CG2-CG2 3.99Å
103	F	98.9	Very high	97.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.5	177.3	179.8	-127.7	0	0	0	108.9	W78 L101 F105 V136 C138 L167 I174 Y178 F193 I195	W78-F103 AromaticContact CD1-CE1 3.94Å; W78-F103 HydrophobicContact CZ2-CD2 4.38Å; W78-F103 HydrophobicContact CZ2-CE2 4.4Å; W78-F103 AromaticContact NE1-CD1 3.93Å; W78-F103 AromaticContact NE1-CE1 3.79Å; W78-F103 AromaticContact NE1-CZ 3.99Å; L101-F103 HydrophobicContact CD2-CB 4.2Å; L101-F103 HydrophobicContact CG-CB 4.17Å; F103-F105 AromaticContact CD1-CE2 3.92Å; F103-F105 HydrophobicContact CD1-CE2 3.92Å; F103-F105 HydrophobicContact CD1-CZ 4.28Å; F103-F105 HydrophobicContact CE1-CD2 4.42Å; F103-F105 HydrophobicContact CE1-CE1 4.25Å; F103-F105 AromaticContact CE1-CE2 3.4Å; F103-F105 HydrophobicContact CE1-CE2 3.4Å; F103-F105 VanDerWaalsContact CE1-CE2 3.4Å; F103-F105 AromaticContact CE1-CZ 3.31Å; F103-F105 HydrophobicContact CE1-CZ 3.31Å; F103-F105 HydrophobicContact CZ-CE1 4.08Å; F103-F105 AromaticContact CZ-CE2 3.96Å; F103-F105 HydrophobicContact CZ-CE2 3.96Å; F103-F105 AromaticContact CZ-CZ 3.59Å; F103-F105 HydrophobicContact CZ-CZ 3.59Å; F103-V136 HydrophobicContact CD2-CB 4.02Å; F103-V136 HydrophobicContact CD2-CG1 3.91Å; F103-V136 HydrophobicContact CE2-CG1 4.02Å; F103-C138 HydrophobicContact CE2-CB 3.75Å; F103-C138 HydrophobicContact CZ-CB 3.99Å; F103-L167 HydrophobicContact CE2-CD2 3.99Å; F103-L167 HydrophobicContact CZ-CD2 4.2Å; F103-I174 HydrophobicContact CE1-CG2 4.2Å; F103-I174 HydrophobicContact CZ-CG2 3.96Å; F103-Y178 HydrophobicContact CD1-CD1 4.21Å; F103-Y178 AromaticContact CD1-CE1 3.67Å; F103-Y178 HydrophobicContact CD1-CE1 3.67Å; F103-Y178 HydrophobicContact CD1-CE2 4.46Å; F103-Y178 AromaticContact CD1-CZ 3.83Å; F103-Y178 HydrophobicContact CE1-CD1 4.21Å; F103-Y178 HydrophobicContact CE1-CD2 4.22Å; F103-Y178 AromaticContact CE1-CE1 3.9Å; F103-Y178 HydrophobicContact CE1-CE1 3.9Å; F103-Y178 AromaticContact CE1-CE2 3.93Å; F103-Y178 HydrophobicContact CE1-CE2 3.93Å; F103-Y178 HydrophobicContact CE1-CG 4.37Å; F103-Y178 AromaticContact CE1-CZ 3.76Å; F103-F193 PolarHBondContact N-O 3.31Å; F103-F193 WeakPolarHBondContact O-CB 3.23Å; F103-F193 PolarHBondContact O-N 2.6Å; F103-I195 HydrophobicContact CB-CD1 4.34Å
104	F	98.9	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.3	-175.2	78.4	-88.7	0	0	0	112.9	Y106 I118 F121 V135 V136 A137 C138 I164 G191 L192	F104-Y106 HydrophobicContact CE2-CD1 4.46Å; F104-I118 HydrophobicContact CE2-CG1 4.18Å; F104-I118 HydrophobicContact CZ-CG1 4.18Å; F104-F121 HydrophobicContact CD1-CD2 4.47Å; F104-F121 HydrophobicContact CE1-CB 4.44Å; F104-F121 AromaticContact CE1-CD2 3.93Å; F104-F121 HydrophobicContact CE1-CD2 3.93Å; F104-F121 HydrophobicContact CE1-CE2 4.46Å; F104-F121 HydrophobicContact CE1-CG 4.22Å; F104-F121 AromaticContact CZ-CD2 4Å; F104-F121 HydrophobicContact CZ-CD2 4Å; F104-V135 HydrophobicContact CD1-CG1 4.08Å; F104-V135 HydrophobicContact CE1-CG1 3.76Å; F104-V136 WeakPolarHBondContact CD1-O 3.29Å; F104-V136 PolarHBondContact N-O 3.1Å; F104-A137 HydrophobicContact CD1-CB 4.38Å; F104-A137 HydrophobicContact CD2-CB 4.48Å; F104-A137 HydrophobicContact CE1-CB 3.66Å; F104-A137 HydrophobicContact CE2-CB 3.79Å; F104-A137 HydrophobicContact CZ-CB 3.34Å; F104-A137 CarbonylContact O-C 3.56Å; F104-A137 WeakPolarHBondContact O-CA 3.46Å; F104-C138 PolarHBondContact O-N 3.1Å; F104-I164 HydrophobicContact CE1-CD1 4.3Å; F104-I164 HydrophobicContact CZ-CD1 4.39Å; F104-G191 CarbonylContact C-O 3.59Å; F104-G191 VanDerWaalsContact CA-O 3.31Å; F104-G191 WeakPolarHBondContact CA-O 3.2Å; F104-L192 HydrophobicContact CB-CB 3.92Å; F104-L192 HydrophobicContact CB-CD1 4.11Å; F104-L192 HydrophobicContact CB-CG 3.96Å
105	F	98.9	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.2	175.5	-61.4	-98.5	0	0	0	110.5	F103 C138 I174 Y178 V180 T188 G191 F193 R213	F103-F105 AromaticContact CD1-CE2 3.92Å; F103-F105 HydrophobicContact CD1-CE2 3.92Å; F103-F105 HydrophobicContact CD1-CZ 4.28Å; F103-F105 HydrophobicContact CE1-CD2 4.42Å; F103-F105 HydrophobicContact CE1-CE1 4.25Å; F103-F105 AromaticContact CE1-CE2 3.4Å; F103-F105 HydrophobicContact CE1-CE2 3.4Å; F103-F105 VanDerWaalsContact CE1-CE2 3.4Å; F103-F105 AromaticContact CE1-CZ 3.31Å; F103-F105 HydrophobicContact CE1-CZ 3.31Å; F103-F105 HydrophobicContact CZ-CE1 4.08Å; F103-F105 AromaticContact CZ-CE2 3.96Å; F103-F105 HydrophobicContact CZ-CE2 3.96Å; F103-F105 AromaticContact CZ-CZ 3.59Å; F103-F105 HydrophobicContact CZ-CZ 3.59Å; F105-C138 CarbonylContact C-O 3.56Å; F105-C138 WeakPolarHBondContact CA-O 3.15Å; F105-C138 HydrophobicContact CD1-CB 3.96Å; F105-C138 HydrophobicContact CE1-CB 4.15Å; F105-I174 HydrophobicContact CE1-CG2 4.04Å; F105-I174 HydrophobicContact CZ-CG2 3.89Å; F105-Y178 AromaticContact CE2-CD1 3.97Å; F105-Y178 HydrophobicContact CE2-CD1 3.97Å; F105-Y178 HydrophobicContact CE2-CD2 4.46Å; F105-Y178 AromaticContact CE2-CG 3.8Å; F105-Y178 HydrophobicContact CE2-CG 3.8Å; F105-Y178 HydrophobicContact CZ-CD1 4.38Å; F105-Y178 HydrophobicContact CZ-CD2 4.07Å; F105-Y178 AromaticContact CZ-CG 3.81Å; F105-Y178 HydrophobicContact CZ-CG 3.81Å; F105-V180 HydrophobicContact CB-CG2 4.21Å; F105-V180 HydrophobicContact CD1-CG2 3.9Å; F105-V180 HydrophobicContact CD2-CG1 4.45Å; F105-V180 HydrophobicContact CD2-CG2 3.79Å; F105-V180 HydrophobicContact CE1-CG2 4.12Å; F105-V180 HydrophobicContact CE2-CG2 4.02Å; F105-V180 HydrophobicContact CG-CG2 3.7Å; F105-V180 HydrophobicContact CZ-CG2 4.15Å; F105-T188 HydrophobicContact CB-CG2 4.3Å; F105-T188 HydrophobicContact CD1-CG2 4.02Å; F105-T188 HydrophobicContact CG-CG2 4.5Å; F105-G191 PolarHBondContact N-O 3.16Å; F105-F193 HydrophobicContact CD2-CD2 4.12Å; F105-F193 AromaticContact CD2-CE2 3.71Å; F105-F193 HydrophobicContact CD2-CE2 3.71Å; F105-F193 AromaticContact CE2-CD2 3.94Å; F105-F193 HydrophobicContact CE2-CD2 3.94Å; F105-F193 AromaticContact CE2-CE2 3.6Å; F105-F193 HydrophobicContact CE2-CE2 3.6Å; F105-R213 VanDerWaalsContact O-CZ 3.3Å; F105-R213 PolarHBondContact O-NH1 3.4Å; F105-R213 PolarHBondContact O-NH2 2.86Å
106	Y	98.8	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.			trans	-131.7	152.8	167.8	65.4	-87.5	0	0	0	109.9	F104 D109 C114 I118 A137 C138 S139 H146 W149 T188	F104-Y106 HydrophobicContact CE2-CD1 4.46Å; Y106-D109 WeakPolarHBondContact CE2-OD1 3.37Å; Y106-D109 VanDerWaalsContact CZ-OD1 3.27Å; Y106-D109 PolarHBondContact OH-OD1 3Å; Y106-C114 HydrophobicContact CD2-CB 3.76Å; Y106-C114 HydrophobicContact CG-CB 4.32Å; Y106-I118 HydrophobicContact CD1-CD1 3.8Å; Y106-I118 HydrophobicContact CD1-CG1 4.22Å; Y106-I118 HydrophobicContact CD2-CD1 4.12Å; Y106-I118 HydrophobicContact CE1-CD1 3.63Å; Y106-I118 HydrophobicContact CE1-CG1 4.35Å; Y106-I118 HydrophobicContact CE2-CD1 3.97Å; Y106-I118 HydrophobicContact CG-CD1 4.03Å; Y106-A137 HydrophobicContact CD1-CB 4.24Å; Y106-A137 HydrophobicContact CE1-CB 4.05Å; Y106-C138 VanDerWaalsContact CD1-O 3.31Å; Y106-C138 WeakPolarHBondContact CD1-O 3.36Å; Y106-C138 PolarHBondContact N-O 2.75Å; Y106-S139 VanDerWaalsContact O-CB 3.25Å; Y106-S139 WeakPolarHBondContact O-CB 3.34Å; Y106-H146 PolarHBondContact OH-CE1 3.02Å; Y106-H146 PolarHBondContact OH-ND1 3.05Å; Y106-W149 HydrophobicContact CE2-CH2 4.43Å; Y106-W149 AromaticContact CE2-CZ3 3.76Å; Y106-W149 HydrophobicContact CE2-CZ3 3.76Å; Y106-T188 VanDerWaalsContact C-OG1 3.24Å; Y106-T188 PolarHBondContact O-OG1 2.76Å
107	P	98	Very high	96.8	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.058	19%	0.189	C	C	.	.	S	Bend	trans	-54.2	-66.8	-174.6	-30.7	33.1	0	0	0	114.8	C114 T188 R190 L209	P107-C114 VanDerWaalsContact CD-SG 3.56Å; P107-T188 WeakPolarHBondContact CA-O 3.3Å; P107-T188 WeakPolarHBondContact CG-O 3.3Å; P107-R190 HydrophobicContact CG-CG 4.32Å; P107-L209 HydrophobicContact CB-CD2 4.39Å; P107-L209 HydrophobicContact CG-CD2 3.74Å
108	L	98	Very high	96.8	Very high	55 Å²	55	27.6 Å²	27.6	29%	0.288	15%	0.151	S	C	.	.			trans	-153.6	147.4	-169.5	-71.4	172.3	0	0	0	111.9	T111 V140 D141 H187	L108-T111 HydrophobicContact CB-CG2 3.74Å; L108-T111 PolarHBondContact O-OG1 3.27Å; L108-V140 HydrophobicContact CD2-CG2 4.04Å; L108-D141 WeakPolarHBondContact CA-OD2 3.31Å; L108-H187 HydrophobicContact CD2-CB 3.99Å; L108-H187 HydrophobicContact CG-CB 4.07Å
109	D	98.4	Very high	96.8	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.053	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	155.3	166.7	-73.6	1	0	0	0	111.4	Y106 T111 D141 T145 H146 W149	Y106-D109 WeakPolarHBondContact CE2-OD1 3.37Å; Y106-D109 VanDerWaalsContact CZ-OD1 3.27Å; Y106-D109 PolarHBondContact OH-OD1 3Å; D109-T111 PolarHBondContact O-N 2.85Å; D109-T111 VanDerWaalsContact O-N 3.16Å; D109-D141 HydrophobicContact CB-CB 4.37Å; D109-D141 PolarHBondContact N-OD2 2.74Å; D109-T145 HydrophobicContact CB-CG2 3.82Å; D109-T145 WeakPolarHBondContact OD2-CG2 3.34Å; D109-H146 IonicContact OD1-CE1 3.71Å; D109-H146 IonicContact OD1-ND1 3.54Å; D109-H146 PolarHBondContact OD1-ND1 3.18Å; D109-H146 WeakPolarHBondContact OD2-CA 3.3Å; D109-H146 IonicContact OD2-CE1 3.73Å; D109-H146 IonicContact OD2-CG 2.79Å; D109-H146 PolarHBondContact OD2-N 3.27Å; D109-H146 IonicContact OD2-ND1 2.8Å; D109-H146 PolarHBondContact OD2-ND1 3.21Å; D109-W149 HydrophobicContact CB-CD2 4.05Å; D109-W149 HydrophobicContact CB-CE3 3.7Å; D109-W149 HydrophobicContact CB-CZ3 4.11Å; D109-W149 VanDerWaalsContact OD1-CZ3 3.29Å; D109-W149 WeakPolarHBondContact OD1-CZ3 3.34Å
110	F	97.3	Very high	96.8	Very high	84 Å²	84	24.9 Å²	24.9	37%	0.368	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	26	178	-59.9	-86.5	0	0	0	115.8	T145 A148 W149	F110-T145 HydrophobicContact CD2-CG2 4.15Å; F110-T145 HydrophobicContact CE2-CG2 3.82Å; F110-A148 HydrophobicContact CZ-CB 4.37Å; F110-W149 AromaticContact CD1-CD1 3.38Å; F110-W149 HydrophobicContact CD1-CG 4.19Å; F110-W149 AromaticContact CD1-NE1 3.77Å; F110-W149 HydrophobicContact CD2-CB 4.31Å; F110-W149 HydrophobicContact CD2-CG 4.13Å; F110-W149 HydrophobicContact CE1-CB 4.18Å; F110-W149 AromaticContact CE1-CD1 3.32Å; F110-W149 HydrophobicContact CE1-CG 4.01Å; F110-W149 HydrophobicContact CE2-CB 3.66Å; F110-W149 AromaticContact CE2-CG 3.93Å; F110-W149 HydrophobicContact CE2-CG 3.93Å; F110-W149 AromaticContact CG-CD1 3.79Å; F110-W149 HydrophobicContact CG-CG 4.26Å; F110-W149 HydrophobicContact CZ-CB 3.59Å; F110-W149 AromaticContact CZ-CD1 3.66Å; F110-W149 AromaticContact CZ-CG 3.87Å; F110-W149 HydrophobicContact CZ-CG 3.87Å; F110-W149 VanDerWaalsContact N-CZ2 3.31Å
111	T	92.3	Very high	96.8	Very high	38 Å²	38	24.2 Å²	24.2	23%	0.233	13%	0.132	C	C	.	.	S	Bend	trans	-107.5	-168.2	173.8	63.5	0	0	0	0	112.3	L108 D109 C114 P115	L108-T111 HydrophobicContact CB-CG2 3.74Å; L108-T111 PolarHBondContact O-OG1 3.27Å; D109-T111 PolarHBondContact O-N 2.85Å; D109-T111 VanDerWaalsContact O-N 3.16Å; T111-C114 PolarHBondContact OG1-SG 3.35Å; T111-P115 WeakPolarHBondContact O-CD 3.31Å; T111-P115 VanDerWaalsContact O-CG 3.31Å; T111-P115 WeakPolarHBondContact O-CG 3.14Å
112	F	88.2	Confident	96.8	Very high	105 Å²	105	24.1 Å²	24.1	46%	0.461	13%	0.131	S	C	.	.	S	Bend	trans	-89.8	-58.8	-162	-46.8	-70.4	0	0	0	115	Y44 V49 P115	Y44-F112 HydrophobicContact CD1-CZ 4.25Å; Y44-F112 HydrophobicContact CD2-CE1 4.03Å; Y44-F112 AromaticContact CD2-CZ 3.74Å; Y44-F112 HydrophobicContact CD2-CZ 3.74Å; Y44-F112 HydrophobicContact CE2-CE1 4.42Å; Y44-F112 HydrophobicContact CE2-CZ 4.46Å; Y44-F112 HydrophobicContact CG-CE1 4.34Å; Y44-F112 AromaticContact CG-CZ 3.61Å; Y44-F112 HydrophobicContact CG-CZ 3.61Å; V49-F112 HydrophobicContact CB-CE2 4.28Å; V49-F112 HydrophobicContact CG1-CD2 3.78Å; V49-F112 HydrophobicContact CG1-CE2 3.55Å; V49-F112 HydrophobicContact CG2-CE2 3.67Å; V49-F112 HydrophobicContact CG2-CZ 4.19Å; F112-P115 WeakPolarHBondContact O-CD 3.27Å; F112-P115 WeakPolarHBondContact O-CG 3.41Å
113	V	90	Very high	96.8	Very high	35 Å²	35	27.3 Å²	27.3	21%	0.212	15%	0.148	C	C	.	.	H	α-helix	trans	-83.2	-32.2	-175.1	175.5	0	0	0	0	111.1	T116 E117 R190	V113-T116 PolarHBondContact O-N 3.48Å; V113-T116 VanDerWaalsContact O-N 3.1Å; V113-T116 PolarHBondContact O-OG1 3.38Å; V113-E117 HydrophobicContact CG1-CG 4.22Å; V113-E117 PolarHBondContact O-N 3.48Å; V113-R190 VanDerWaalsContact CG1-CZ 3.46Å
114	C	91.3	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-51.9	-49.4	-179.4	-53.3	0	0	0	0	114.2	Y106 P107 T111 T116 E117 I118 W149 R190	Y106-C114 HydrophobicContact CD2-CB 3.76Å; Y106-C114 HydrophobicContact CG-CB 4.32Å; P107-C114 VanDerWaalsContact CD-SG 3.56Å; T111-C114 PolarHBondContact OG1-SG 3.35Å; C114-T116 VanDerWaalsContact C-N 3.26Å; C114-T116 PolarHBondContact O-N 2.82Å; C114-E117 PolarHBondContact O-N 3.35Å; C114-I118 WeakPolarHBondContact O-CG1 3.4Å; C114-I118 PolarHBondContact O-N 3.13Å; C114-I118 VanDerWaalsContact O-N 3.16Å; C114-W149 HydrophobicContact CB-CH2 3.9Å; C114-R190 PolarHBondContact SG-NH1 3.5Å
115	P	95.8	Very high	96.8	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-32.5	179.9	23.5	-32	0	0	0	112.4	T111 F112 I119 W149 L159	T111-P115 WeakPolarHBondContact O-CD 3.31Å; T111-P115 VanDerWaalsContact O-CG 3.31Å; T111-P115 WeakPolarHBondContact O-CG 3.14Å; F112-P115 WeakPolarHBondContact O-CD 3.27Å; F112-P115 WeakPolarHBondContact O-CG 3.41Å; P115-I119 HydrophobicContact CB-CD1 4.44Å; P115-I119 WeakPolarHBondContact O-CB 3.12Å; P115-I119 VanDerWaalsContact O-CD1 3.3Å; P115-I119 WeakPolarHBondContact O-CD1 3.49Å; P115-I119 WeakPolarHBondContact O-CG1 3.47Å; P115-I119 PolarHBondContact O-N 3.04Å; P115-W149 HydrophobicContact CB-CH2 4.03Å; P115-W149 HydrophobicContact CB-CZ2 3.58Å; P115-W149 HydrophobicContact CG-CH2 4.37Å; P115-W149 HydrophobicContact CG-CZ2 3.83Å; P115-L159 HydrophobicContact CB-CD2 3.81Å
116	T	97.6	Very high	96.8	Very high	85 Å²	85	35.5 Å²	35.5	52%	0.521	18%	0.184	S	C	.	.	H	α-helix	trans	-67.5	-39.3	-179.1	75.3	0	0	0	0	111.4	V113 C114 A120	V113-T116 PolarHBondContact O-N 3.48Å; V113-T116 VanDerWaalsContact O-N 3.1Å; V113-T116 PolarHBondContact O-OG1 3.38Å; C114-T116 VanDerWaalsContact C-N 3.26Å; C114-T116 PolarHBondContact O-N 2.82Å; T116-A120 VanDerWaalsContact O-CB 3.27Å; T116-A120 WeakPolarHBondContact O-CB 3.33Å; T116-A120 PolarHBondContact O-N 3Å
117	E	98.2	Very high	96.8	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.028	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-49.7	176.7	-62.2	-175.5	115.6	0	0	111.7	V113 C114 I119 A120 F121 R190 G212 R213	V113-E117 HydrophobicContact CG1-CG 4.22Å; V113-E117 PolarHBondContact O-N 3.48Å; C114-E117 PolarHBondContact O-N 3.35Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.37Å; E117-A120 PolarHBondContact O-N 3.35Å; E117-F121 WeakPolarHBondContact O-CD2 3.45Å; E117-F121 PolarHBondContact O-N 3.46Å; E117-R190 IonicContact OE2-CZ 2.85Å; E117-R190 IonicContact OE2-NH1 2.81Å; E117-R190 PolarHBondContact OE2-NH1 3.36Å; E117-G212 WeakPolarHBondContact OE1-CA 3.49Å; E117-R213 VanDerWaalsContact CD-NH2 3.3Å; E117-R213 WeakPolarHBondContact OE1-CB 3.41Å; E117-R213 IonicContact OE1-CZ 3.92Å; E117-R213 PolarHBondContact OE1-N 2.88Å; E117-R213 IonicContact OE1-NE 3.82Å; E117-R213 PolarHBondContact OE1-NE 3.33Å; E117-R213 IonicContact OE1-NH2 2.76Å; E117-R213 PolarHBondContact OE1-NH2 3.48Å; E117-R213 IonicContact OE2-CZ 3.85Å; E117-R213 IonicContact OE2-NE 3.69Å; E117-R213 IonicContact OE2-NH2 3.9Å; E117-R213 PolarHBondContact OE2-NH2 3.34Å
118	I	98.4	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-45	-178.5	-62.4	164.8	0	0	0	110.3	F104 Y106 C114 F121 S122 A137 W149 L159 M162 I164 L166	F104-I118 HydrophobicContact CE2-CG1 4.18Å; F104-I118 HydrophobicContact CZ-CG1 4.18Å; Y106-I118 HydrophobicContact CD1-CD1 3.8Å; Y106-I118 HydrophobicContact CD1-CG1 4.22Å; Y106-I118 HydrophobicContact CD2-CD1 4.12Å; Y106-I118 HydrophobicContact CE1-CD1 3.63Å; Y106-I118 HydrophobicContact CE1-CG1 4.35Å; Y106-I118 HydrophobicContact CE2-CD1 3.97Å; Y106-I118 HydrophobicContact CG-CD1 4.03Å; C114-I118 WeakPolarHBondContact O-CG1 3.4Å; C114-I118 PolarHBondContact O-N 3.13Å; C114-I118 VanDerWaalsContact O-N 3.16Å; I118-F121 PolarHBondContact O-N 3.15Å; I118-S122 WeakPolarHBondContact O-CB 3.49Å; I118-S122 PolarHBondContact O-N 3.23Å; I118-A137 HydrophobicContact CG1-CB 4.49Å; I118-W149 HydrophobicContact CD1-CH2 4Å; I118-W149 HydrophobicContact CD1-CZ3 3.62Å; I118-L159 HydrophobicContact CB-CD2 4.11Å; I118-L159 HydrophobicContact CD1-CD1 4.46Å; I118-L159 HydrophobicContact CD1-CD2 4.23Å; I118-L159 HydrophobicContact CG2-CD1 4.13Å; I118-L159 HydrophobicContact CG2-CD2 4.06Å; I118-M162 HydrophobicContact CG2-SD 3.79Å; I118-I164 HydrophobicContact CG2-CD1 4.21Å; I118-L166 HydrophobicContact CG2-CD2 3.93Å
119	I	98.6	Very high	96.8	Very high	30 Å²	30	39.4 Å²	39.4	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-45.5	176.5	-72.6	165.9	0	0	0	110.9	P115 E117 F121 S122 D123 R154 L159 M162	P115-I119 HydrophobicContact CB-CD1 4.44Å; P115-I119 WeakPolarHBondContact O-CB 3.12Å; P115-I119 VanDerWaalsContact O-CD1 3.3Å; P115-I119 WeakPolarHBondContact O-CD1 3.49Å; P115-I119 WeakPolarHBondContact O-CG1 3.47Å; P115-I119 PolarHBondContact O-N 3.04Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.37Å; I119-F121 VanDerWaalsContact C-N 3.35Å; I119-F121 PolarHBondContact O-N 3.44Å; I119-S122 PolarHBondContact O-N 2.72Å; I119-D123 WeakPolarHBondContact CG2-OD2 3.39Å; I119-D123 WeakPolarHBondContact O-CB 3.37Å; I119-D123 PolarHBondContact O-N 3.35Å; I119-R154 HydrophobicContact CD1-CG 3.94Å; I119-R154 VanDerWaalsContact CG2-CZ 3.49Å; I119-L159 HydrophobicContact CG1-CD2 4.32Å; I119-M162 HydrophobicContact CG1-CE 4.33Å
120	A	98.7	Very high	96.9	Very high	37 Å²	37	43 Å²	43	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-41.9	-178.3	0	0	0	0	0	112.3	T116 E117 R124 V215	T116-A120 VanDerWaalsContact O-CB 3.27Å; T116-A120 WeakPolarHBondContact O-CB 3.33Å; T116-A120 PolarHBondContact O-N 3Å; E117-A120 PolarHBondContact O-N 3.35Å; A120-R124 WeakPolarHBondContact O-CB 3.41Å; A120-R124 PolarHBondContact O-N 2.9Å; A120-V215 HydrophobicContact CB-CG2 3.77Å
121	F	98.8	Very high	96.9	Very high	2 Å²	2	41 Å²	41	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-44	173.3	-82.2	-72.5	0	0	0	112.3	V102 F104 E117 I118 I119 D123 R124 V125 F128 V135 I164 L192 V215 T218	V102-F121 HydrophobicContact CG1-CE1 4.34Å; F104-F121 HydrophobicContact CD1-CD2 4.47Å; F104-F121 HydrophobicContact CE1-CB 4.44Å; F104-F121 AromaticContact CE1-CD2 3.93Å; F104-F121 HydrophobicContact CE1-CD2 3.93Å; F104-F121 HydrophobicContact CE1-CE2 4.46Å; F104-F121 HydrophobicContact CE1-CG 4.22Å; F104-F121 AromaticContact CZ-CD2 4Å; F104-F121 HydrophobicContact CZ-CD2 4Å; E117-F121 WeakPolarHBondContact O-CD2 3.45Å; E117-F121 PolarHBondContact O-N 3.46Å; I118-F121 PolarHBondContact O-N 3.15Å; I119-F121 VanDerWaalsContact C-N 3.35Å; I119-F121 PolarHBondContact O-N 3.44Å; F121-D123 PolarHBondContact O-N 3Å; F121-R124 CarbonylContact O-C 3.48Å; F121-R124 PolarHBondContact O-N 2.65Å; F121-V125 WeakPolarHBondContact O-CA 3.46Å; F121-V125 WeakPolarHBondContact O-CB 3.27Å; F121-V125 PolarHBondContact O-N 3.04Å; F121-F128 AromaticContact CD1-CE2 3.99Å; F121-F128 HydrophobicContact CD1-CE2 3.99Å; F121-F128 HydrophobicContact CD1-CZ 4.08Å; F121-F128 HydrophobicContact CE1-CE2 4.19Å; F121-F128 AromaticContact CE1-CZ 3.8Å; F121-F128 HydrophobicContact CE1-CZ 3.8Å; F121-V135 HydrophobicContact CB-CG1 4.17Å; F121-V135 HydrophobicContact CD1-CG1 4.03Å; F121-V135 HydrophobicContact CD1-CG2 4.46Å; F121-V135 HydrophobicContact CG-CG1 4.2Å; F121-I164 HydrophobicContact CB-CD1 4.1Å; F121-L192 HydrophobicContact CE2-CD1 4.38Å; F121-L192 HydrophobicContact CZ-CD1 3.87Å; F121-V215 HydrophobicContact CD1-CG1 4.21Å; F121-V215 HydrophobicContact CD1-CG2 4.08Å; F121-V215 HydrophobicContact CD2-CG2 4.02Å; F121-V215 HydrophobicContact CE1-CB 4.4Å; F121-V215 HydrophobicContact CE1-CG1 4.16Å; F121-V215 HydrophobicContact CE1-CG2 4.03Å; F121-V215 HydrophobicContact CE2-CG2 3.97Å; F121-V215 HydrophobicContact CG-CG2 4.06Å; F121-V215 HydrophobicContact CZ-CG2 3.97Å; F121-T218 HydrophobicContact CE1-CG2 4.06Å; F121-T218 HydrophobicContact CZ-CG2 4.24Å
122	S	98.6	Very high	97.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-43.3	-179.9	-173.4	0	0	0	0	112.4	I118 I119 R124 V125 K163	I118-S122 WeakPolarHBondContact O-CB 3.49Å; I118-S122 PolarHBondContact O-N 3.23Å; I119-S122 PolarHBondContact O-N 2.72Å; S122-R124 VanDerWaalsContact C-N 3.32Å; S122-R124 PolarHBondContact O-N 2.8Å; S122-V125 WeakPolarHBondContact O-CG1 3.35Å; S122-K163 PolarHBondContact OG-N 3.12Å
123	D	98.7	Very high	97.7	Very high	67 Å²	67	38.3 Å²	38.3	36%	0.358	21%	0.213	S	C	.	.	H	α-helix	trans	-68.4	-33.4	179.8	-70.9	-10.2	0	0	0	111.5	I119 F121 H126 R154	I119-D123 WeakPolarHBondContact CG2-OD2 3.39Å; I119-D123 WeakPolarHBondContact O-CB 3.37Å; I119-D123 PolarHBondContact O-N 3.35Å; F121-D123 PolarHBondContact O-N 3Å; D123-H126 PolarHBondContact O-CE1 2.95Å; D123-H126 PolarHBondContact O-ND1 3.26Å; D123-H126 VanDerWaalsContact O-ND1 3.14Å; D123-R154 IonicContact OD1-CZ 2.77Å; D123-R154 IonicContact OD1-NH1 2.81Å; D123-R154 PolarHBondContact OD1-NH1 3.03Å; D123-R154 IonicContact OD1-NH2 3.69Å; D123-R154 PolarHBondContact OD1-NH2 3.16Å; D123-R154 IonicContact OD2-CZ 3.77Å; D123-R154 IonicContact OD2-NH1 2.71Å; D123-R154 PolarHBondContact OD2-NH1 3.3Å; D123-R154 IonicContact OD2-NH2 3.77Å
124	R	98.8	Very high	98.2	Very high	59 Å²	59	38.5 Å²	38.5	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-101.3	7.4	-178.8	-64.7	-179.6	63.4	-171.5	-2.1	115	A120 F121 S122 H126 E127 V215 D216	A120-R124 WeakPolarHBondContact O-CB 3.41Å; A120-R124 PolarHBondContact O-N 2.9Å; F121-R124 CarbonylContact O-C 3.48Å; F121-R124 PolarHBondContact O-N 2.65Å; S122-R124 VanDerWaalsContact C-N 3.32Å; S122-R124 PolarHBondContact O-N 2.8Å; R124-H126 PolarHBondContact O-N 2.93Å; R124-E127 WeakPolarHBondContact CB-OE1 3.14Å; R124-E127 WeakPolarHBondContact CG-OE1 3.32Å; R124-E127 IonicContact CZ-OE1 3.68Å; R124-E127 IonicContact CZ-OE2 2.76Å; R124-E127 IonicContact NE-OE1 2.78Å; R124-E127 PolarHBondContact NE-OE1 2.79Å; R124-E127 IonicContact NE-OE2 3.33Å; R124-E127 PolarHBondContact NE-OE2 3.43Å; R124-E127 IonicContact NH2-OE1 3.45Å; R124-E127 IonicContact NH2-OE2 3.46Å; R124-E127 PolarHBondContact NH2-OE2 2.75Å; R124-E127 WeakPolarHBondContact O-CB 3.39Å; R124-E127 PolarHBondContact O-N 3.19Å; R124-V215 HydrophobicContact CB-CG1 4.38Å; R124-D216 IonicContact CZ-OD1 3.34Å; R124-D216 VanDerWaalsContact CZ-OD1 3.27Å; R124-D216 IonicContact NH1-OD1 2.88Å; R124-D216 PolarHBondContact NH1-OD1 2.76Å; R124-D216 IonicContact NH1-OD2 2.83Å; R124-D216 IonicContact NH2-OD1 3.94Å; R124-D216 PolarHBondContact NH2-OD1 2.9Å
125	V	98.8	Very high	98.5	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-30.1	-175.8	70.5	0	0	0	0	112.6	F121 S122 E127 F128 Q129 V135 K163 I164	F121-V125 WeakPolarHBondContact O-CA 3.46Å; F121-V125 WeakPolarHBondContact O-CB 3.27Å; F121-V125 PolarHBondContact O-N 3.04Å; S122-V125 WeakPolarHBondContact O-CG1 3.35Å; V125-E127 PolarHBondContact O-N 3.01Å; V125-F128 WeakPolarHBondContact O-CB 3.45Å; V125-F128 PolarHBondContact O-N 3.1Å; V125-Q129 HydrophobicContact CG2-CG 4.27Å; V125-Q129 WeakPolarHBondContact O-CG 3.31Å; V125-Q129 PolarHBondContact O-N 3.31Å; V125-V135 HydrophobicContact CG2-CB 4.48Å; V125-V135 HydrophobicContact CG2-CG2 4.31Å; V125-K163 HydrophobicContact CG1-CB 3.79Å; V125-K163 HydrophobicContact CG1-CD 4.2Å; V125-I164 HydrophobicContact CB-CG2 3.92Å; V125-I164 HydrophobicContact CG2-CG2 3.56Å
126	H	98.8	Very high	98.7	Very high	110 Å²	110	38.1 Å²	38.1	51%	0.509	21%	0.209	S	C	.	.	H	α-helix	trans	-59.8	-30.4	176.9	65.6	-81.8	0	0	0	113.3	D123 R124 A130	D123-H126 PolarHBondContact O-CE1 2.95Å; D123-H126 PolarHBondContact O-ND1 3.26Å; D123-H126 VanDerWaalsContact O-ND1 3.14Å; R124-H126 PolarHBondContact O-N 2.93Å; H126-A130 WeakPolarHBondContact O-CB 3.41Å; H126-A130 PolarHBondContact O-N 3.35Å
127	E	98.8	Very high	98.8	Very high	58 Å²	58	34 Å²	34	27%	0.271	18%	0.184	S	C	.	.	H	α-helix	trans	-68.2	-36.1	174.9	-64	173.9	-129.1	0	0	111.7	R124 V125 L219	R124-E127 WeakPolarHBondContact CB-OE1 3.14Å; R124-E127 WeakPolarHBondContact CG-OE1 3.32Å; R124-E127 IonicContact CZ-OE1 3.68Å; R124-E127 IonicContact CZ-OE2 2.76Å; R124-E127 IonicContact NE-OE1 2.78Å; R124-E127 PolarHBondContact NE-OE1 2.79Å; R124-E127 IonicContact NE-OE2 3.33Å; R124-E127 PolarHBondContact NE-OE2 3.43Å; R124-E127 IonicContact NH2-OE1 3.45Å; R124-E127 IonicContact NH2-OE2 3.46Å; R124-E127 PolarHBondContact NH2-OE2 2.75Å; R124-E127 WeakPolarHBondContact O-CB 3.39Å; R124-E127 PolarHBondContact O-N 3.19Å; V125-E127 PolarHBondContact O-N 3.01Å; E127-L219 HydrophobicContact CB-CD1 4.49Å; E127-L219 HydrophobicContact CB-CD2 4.26Å; E127-L219 VanDerWaalsContact OE2-CD2 3.27Å; E127-L219 WeakPolarHBondContact OE2-CD2 3.29Å
128	F	98.9	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73.3	-44.5	175.4	-66.3	-89.6	0	0	0	111	V102 F121 V125 A130 I131 N132 T133 V135 V215 T218 L219 V222	V102-F128 HydrophobicContact CG2-CD1 4.16Å; V102-F128 HydrophobicContact CG2-CE1 4.06Å; F121-F128 AromaticContact CD1-CE2 3.99Å; F121-F128 HydrophobicContact CD1-CE2 3.99Å; F121-F128 HydrophobicContact CD1-CZ 4.08Å; F121-F128 HydrophobicContact CE1-CE2 4.19Å; F121-F128 AromaticContact CE1-CZ 3.8Å; F121-F128 HydrophobicContact CE1-CZ 3.8Å; V125-F128 WeakPolarHBondContact O-CB 3.45Å; V125-F128 PolarHBondContact O-N 3.1Å; F128-A130 VanDerWaalsContact C-N 3.28Å; F128-A130 PolarHBondContact O-N 3.19Å; F128-I131 CarbonylContact O-C 3.51Å; F128-I131 WeakPolarHBondContact O-CG1 3.43Å; F128-I131 PolarHBondContact O-N 2.92Å; F128-N132 PolarHBondContact O-N 2.85Å; F128-T133 CarbonylContact C-O 3.42Å; F128-T133 HydrophobicContact CB-CG2 4.19Å; F128-T133 WeakPolarHBondContact CB-O 3.29Å; F128-T133 HydrophobicContact CD1-CG2 3.97Å; F128-T133 WeakPolarHBondContact O-CA 3.35Å; F128-T133 VanDerWaalsContact O-CB 3.31Å; F128-T133 WeakPolarHBondContact O-CB 3.32Å; F128-T133 PolarHBondContact O-N 3.33Å; F128-V135 HydrophobicContact CB-CG2 4.11Å; F128-V135 HydrophobicContact CD1-CG2 4.28Å; F128-V135 HydrophobicContact CD2-CG2 4.06Å; F128-V135 HydrophobicContact CG-CG2 3.88Å; F128-V215 HydrophobicContact CE2-CG1 3.8Å; F128-V215 HydrophobicContact CZ-CG1 3.95Å; F128-T218 HydrophobicContact CE1-CG2 4.05Å; F128-T218 HydrophobicContact CZ-CG2 4.33Å; F128-L219 HydrophobicContact CD1-CD1 4.13Å; F128-L219 HydrophobicContact CE1-CB 4.19Å; F128-L219 HydrophobicContact CE1-CD1 4.02Å; F128-L219 HydrophobicContact CG-CD1 4.47Å; F128-L219 HydrophobicContact CZ-CB 4.02Å; F128-L219 HydrophobicContact CZ-CD1 4.28Å; F128-V222 HydrophobicContact CE1-CG2 4.45Å
129	Q	98.8	Very high	98.8	Very high	88 Å²	88	33.8 Å²	33.8	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-36.2	179.2	-72.1	174.2	-23.2	0	0	112	V125 I131 N132 T133 E134	V125-Q129 HydrophobicContact CG2-CG 4.27Å; V125-Q129 WeakPolarHBondContact O-CG 3.31Å; V125-Q129 PolarHBondContact O-N 3.31Å; Q129-I131 PolarHBondContact O-N 3.42Å; Q129-I131 VanDerWaalsContact O-N 3.16Å; Q129-N132 PolarHBondContact O-N 2.83Å; Q129-T133 WeakPolarHBondContact CA-O 3.25Å; Q129-T133 PolarHBondContact N-O 3.31Å; Q129-E134 PolarHBondContact NE2-OE2 2.59Å
130	A	98.8	Very high	98.8	Very high	86 Å²	86	32.9 Å²	32.9	71%	0.711	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.2	175	0	0	0	0	0	113.6	H126 F128	H126-A130 WeakPolarHBondContact O-CB 3.41Å; H126-A130 PolarHBondContact O-N 3.35Å; F128-A130 VanDerWaalsContact C-N 3.28Å; F128-A130 PolarHBondContact O-N 3.19Å
131	I	98.7	Very high	98.8	Very high	41 Å²	41	32.4 Å²	32.4	21%	0.21	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	30.7	175.7	64.3	173.8	0	0	0	112	F128 Q129 T133 L219 V222 Q223 Q226	F128-I131 CarbonylContact O-C 3.51Å; F128-I131 WeakPolarHBondContact O-CG1 3.43Å; F128-I131 PolarHBondContact O-N 2.92Å; Q129-I131 PolarHBondContact O-N 3.42Å; Q129-I131 VanDerWaalsContact O-N 3.16Å; I131-T133 VanDerWaalsContact C-N 3.3Å; I131-T133 PolarHBondContact O-N 2.72Å; I131-T133 PolarHBondContact O-OG1 3.06Å; I131-L219 HydrophobicContact CD1-CD1 3.8Å; I131-V222 HydrophobicContact CD1-CB 4.36Å; I131-V222 HydrophobicContact CD1-CG1 3.65Å; I131-V222 HydrophobicContact CG1-CG1 4.42Å; I131-Q223 HydrophobicContact CD1-CG 3.85Å; I131-Q226 PolarHBondContact O-NE2 3.16Å; I131-Q226 PolarHBondContact O-OE1 2.66Å
132	N	98.8	Very high	98.8	Very high	87 Å²	87	33.3 Å²	33.3	47%	0.465	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	43	177.5	-169	48.8	0	0	0	113.5	G98 Y100 F128 Q129	G98-N132 PolarHBondContact O-ND2 3.47Å; Y100-N132 PolarHBondContact N-O 3.17Å; F128-N132 PolarHBondContact O-N 2.85Å; Q129-N132 PolarHBondContact O-N 2.83Å
133	T	98.9	Very high	98.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.4	178.8	-55	0	0	0	0	110.5	Y100 V102 F128 Q129 I131 V222 Q226	Y100-T133 WeakPolarHBondContact CB-OG1 3.19Å; Y100-T133 CarbonylContact O-C 3.54Å; Y100-T133 VanDerWaalsContact O-CA 3.29Å; Y100-T133 WeakPolarHBondContact O-CA 3.45Å; V102-T133 HydrophobicContact CG2-CG2 4.08Å; F128-T133 CarbonylContact C-O 3.42Å; F128-T133 HydrophobicContact CB-CG2 4.19Å; F128-T133 WeakPolarHBondContact CB-O 3.29Å; F128-T133 HydrophobicContact CD1-CG2 3.97Å; F128-T133 WeakPolarHBondContact O-CA 3.35Å; F128-T133 VanDerWaalsContact O-CB 3.31Å; F128-T133 WeakPolarHBondContact O-CB 3.32Å; F128-T133 PolarHBondContact O-N 3.33Å; Q129-T133 WeakPolarHBondContact CA-O 3.25Å; Q129-T133 PolarHBondContact N-O 3.31Å; I131-T133 VanDerWaalsContact C-N 3.3Å; I131-T133 PolarHBondContact O-N 2.72Å; I131-T133 PolarHBondContact O-OG1 3.06Å; T133-V222 HydrophobicContact CG2-CG1 4.1Å; T133-V222 HydrophobicContact CG2-CG2 4.33Å; T133-V222 VanDerWaalsContact OG1-CG1 3.3Å; T133-V222 WeakPolarHBondContact OG1-CG1 2.98Å; T133-Q226 PolarHBondContact OG1-NE2 3.28Å
134	E	98.9	Very high	98.8	Very high	39 Å²	39	37.8 Å²	37.8	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	164.4	173.5	-59.8	-66.5	171.6	0	0	111.1	Y96 K99 Y100 L101 V102 Q129	Y96-E134 HydrophobicContact CD1-CB 3.66Å; Y96-E134 HydrophobicContact CD1-CG 3.82Å; Y96-E134 HydrophobicContact CE1-CB 3.53Å; Y96-E134 HydrophobicContact CE1-CG 3.82Å; K99-E134 HydrophobicContact CD-CG 3.62Å; K99-E134 IonicContact NZ-OE1 3.33Å; K99-E134 PolarHBondContact NZ-OE1 2.84Å; Y100-E134 PolarHBondContact O-N 2.77Å; L101-E134 WeakPolarHBondContact CA-O 3.35Å; L101-E134 HydrophobicContact CD1-CB 4.31Å; V102-E134 PolarHBondContact N-O 3.47Å; Q129-E134 PolarHBondContact NE2-OE2 2.59Å
135	V	98.9	Very high	98.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	-179.9	-174.8	0	0	0	0	109.6	V102 F104 F121 V125 F128 I164 P165	V102-V135 HydrophobicContact CB-CG1 4.36Å; V102-V135 HydrophobicContact CB-CG2 4.21Å; V102-V135 HydrophobicContact CG1-CG1 4.42Å; V102-V135 WeakPolarHBondContact O-CA 3.36Å; F104-V135 HydrophobicContact CD1-CG1 4.08Å; F104-V135 HydrophobicContact CE1-CG1 3.76Å; F121-V135 HydrophobicContact CB-CG1 4.17Å; F121-V135 HydrophobicContact CD1-CG1 4.03Å; F121-V135 HydrophobicContact CD1-CG2 4.46Å; F121-V135 HydrophobicContact CG-CG1 4.2Å; V125-V135 HydrophobicContact CG2-CB 4.48Å; V125-V135 HydrophobicContact CG2-CG2 4.31Å; F128-V135 HydrophobicContact CB-CG2 4.11Å; F128-V135 HydrophobicContact CD1-CG2 4.28Å; F128-V135 HydrophobicContact CD2-CG2 4.06Å; F128-V135 HydrophobicContact CG-CG2 3.88Å; V135-I164 HydrophobicContact CB-CG2 3.96Å; V135-I164 HydrophobicContact CG1-CD1 4.37Å; V135-I164 HydrophobicContact CG1-CG2 4.35Å; V135-P165 WeakPolarHBondContact O-CD 3.41Å
136	V	98.9	Very high	98.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.1	175.6	174.9	0	0	0	0	109.4	L91 Y96 L101 V102 F103 F104 P165 L167	L91-V136 HydrophobicContact CD2-CG1 4.32Å; L91-V136 HydrophobicContact CD2-CG2 4.23Å; Y96-V136 HydrophobicContact CE1-CG2 4.18Å; Y96-V136 HydrophobicContact CE2-CG2 4.03Å; Y96-V136 WeakPolarHBondContact OH-CG2 3.47Å; L101-V136 HydrophobicContact CD1-CB 4.27Å; L101-V136 HydrophobicContact CD1-CG2 3.84Å; V102-V136 PolarHBondContact O-N 2.81Å; F103-V136 HydrophobicContact CD2-CB 4.02Å; F103-V136 HydrophobicContact CD2-CG1 3.91Å; F103-V136 HydrophobicContact CE2-CG1 4.02Å; F104-V136 WeakPolarHBondContact CD1-O 3.29Å; F104-V136 PolarHBondContact N-O 3.1Å; V136-P165 HydrophobicContact CG1-CB 4.46Å; V136-P165 HydrophobicContact CG2-CB 4.38Å; V136-P165 HydrophobicContact CG2-CG 4.21Å; V136-L167 HydrophobicContact CG1-CB 4.17Å
137	A	98.9	Very high	98.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.6	172.5	0	0	0	0	0	110.3	F104 Y106 I118 I164 P165 L166 L167	F104-A137 HydrophobicContact CD1-CB 4.38Å; F104-A137 HydrophobicContact CD2-CB 4.48Å; F104-A137 HydrophobicContact CE1-CB 3.66Å; F104-A137 HydrophobicContact CE2-CB 3.79Å; F104-A137 HydrophobicContact CZ-CB 3.34Å; F104-A137 CarbonylContact O-C 3.56Å; F104-A137 WeakPolarHBondContact O-CA 3.46Å; Y106-A137 HydrophobicContact CD1-CB 4.24Å; Y106-A137 HydrophobicContact CE1-CB 4.05Å; I118-A137 HydrophobicContact CG1-CB 4.49Å; A137-I164 HydrophobicContact CB-CD1 4.44Å; A137-P165 PolarHBondContact N-O 3.2Å; A137-P165 VanDerWaalsContact N-O 3.1Å; A137-L166 HydrophobicContact CB-CD2 3.69Å; A137-L167 PolarHBondContact O-N 2.81Å
138	C	98.9	Very high	98.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	142	179.2	-177.4	0	0	0	0	112	F103 F104 F105 Y106 L167	F103-C138 HydrophobicContact CE2-CB 3.75Å; F103-C138 HydrophobicContact CZ-CB 3.99Å; F104-C138 PolarHBondContact O-N 3.1Å; F105-C138 CarbonylContact C-O 3.56Å; F105-C138 WeakPolarHBondContact CA-O 3.15Å; F105-C138 HydrophobicContact CD1-CB 3.96Å; F105-C138 HydrophobicContact CE1-CB 4.15Å; Y106-C138 VanDerWaalsContact CD1-O 3.31Å; Y106-C138 WeakPolarHBondContact CD1-O 3.36Å; Y106-C138 PolarHBondContact N-O 2.75Å; C138-L167 VanDerWaalsContact CA-O 3.29Å; C138-L167 WeakPolarHBondContact CA-O 3.47Å; C138-L167 HydrophobicContact CB-CB 4.1Å; C138-L167 HydrophobicContact CB-CD2 4.41Å; C138-L167 PolarHBondContact SG-O 2.85Å
139	S	98.9	Very high	98.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	178.9	163.9	79.1	0	0	0	0	110.4	Y106 D141 H146 L167 D169	Y106-S139 VanDerWaalsContact O-CB 3.25Å; Y106-S139 WeakPolarHBondContact O-CB 3.34Å; S139-D141 PolarHBondContact O-N 2.82Å; S139-D141 WeakPolarHBondContact OG-CB 3.2Å; S139-D141 PolarHBondContact OG-N 2.79Å; S139-D141 PolarHBondContact OG-OD2 3.38Å; S139-H146 PolarHBondContact OG-CE1 2.89Å; S139-L167 PolarHBondContact N-O 2.88Å; S139-D169 WeakPolarHBondContact O-CB 3.44Å; S139-D169 PolarHBondContact O-N 2.96Å
140	V	98.8	Very high	98.8	Very high	12 Å²	12	29.7 Å²	29.7	7%	0.073	17%	0.172	C	C	.	.	S	Bend	trans	-78.5	-3.1	176	-62.4	0	0	0	0	113.2	L108 Y181 H187 T188	L108-V140 HydrophobicContact CD2-CG2 4.04Å; V140-Y181 HydrophobicContact CG1-CD2 4.48Å; V140-Y181 HydrophobicContact CG1-CE2 4.4Å; V140-H187 HydrophobicContact CG2-CB 3.97Å; V140-T188 HydrophobicContact CG1-CG2 4.3Å
141	D	98.8	Very high	98.7	Very high	27 Å²	27	31.2 Å²	31.2	14%	0.144	17%	0.168	C	C	.	.	S	Bend	trans	-71.5	157	-179.5	-60.6	-79.2	0	0	0	111.7	L108 D109 S139 T145 S168	L108-D141 WeakPolarHBondContact CA-OD2 3.31Å; D109-D141 HydrophobicContact CB-CB 4.37Å; D109-D141 PolarHBondContact N-OD2 2.74Å; S139-D141 PolarHBondContact O-N 2.82Å; S139-D141 WeakPolarHBondContact OG-CB 3.2Å; S139-D141 PolarHBondContact OG-N 2.79Å; S139-D141 PolarHBondContact OG-OD2 3.38Å; D141-T145 HydrophobicContact CB-CG2 4.33Å; D141-S168 VanDerWaalsContact O-CB 3.29Å; D141-S168 WeakPolarHBondContact O-CB 3.33Å; D141-S168 PolarHBondContact O-OG 2.94Å
142	S	98.8	Very high	98.7	Very high	21 Å²	21	30.7 Å²	30.7	15%	0.147	17%	0.167	C	C	.	.			trans	-71.4	153.4	175.7	78.9	0	0	0	0	112.2	F144 T145 H146 S168	S142-F144 PolarHBondContact O-N 2.71Å; S142-F144 VanDerWaalsContact O-N 3.13Å; S142-F144 PolarHBondContact OG-N 3.42Å; S142-T145 WeakPolarHBondContact O-CB 3.46Å; S142-T145 PolarHBondContact O-N 3.48Å; S142-T145 PolarHBondContact OG-N 2.77Å; S142-T145 VanDerWaalsContact OG-N 3.1Å; S142-T145 PolarHBondContact OG-OG1 2.84Å; S142-H146 PolarHBondContact O-N 3.29Å; S142-S168 WeakPolarHBondContact CA-OG 3.49Å
143	Q	98.6	Very high	98.7	Very high	32 Å²	32	29.7 Å²	29.7	15%	0.15	17%	0.165	C	C	.	.	H	α-helix	trans	-56.1	-27.9	169.9	70.5	-80.9	28.2	0	0	113.2	T81 V83 F88 L147	T81-Q143 HydrophobicContact CG2-CB 4.17Å; T81-Q143 HydrophobicContact CG2-CG 3.98Å; V83-Q143 HydrophobicContact CG2-CB 4.21Å; V83-Q143 WeakPolarHBondContact CG2-O 3.17Å; F88-Q143 HydrophobicContact CD1-CB 3.98Å; F88-Q143 HydrophobicContact CD1-CG 3.85Å; F88-Q143 HydrophobicContact CD2-CG 4.47Å; F88-Q143 HydrophobicContact CE1-CB 3.99Å; F88-Q143 HydrophobicContact CE1-CG 3.85Å; F88-Q143 WeakPolarHBondContact CE1-O 3.43Å; F88-Q143 HydrophobicContact CE2-CG 4.47Å; F88-Q143 HydrophobicContact CG-CG 4.18Å; F88-Q143 HydrophobicContact CZ-CG 4.17Å; Q143-L147 PolarHBondContact O-N 3.34Å; Q143-L147 VanDerWaalsContact O-N 3.07Å
144	F	98.8	Very high	98.6	Very high	128 Å²	128	34.4 Å²	34.4	56%	0.561	18%	0.183	S	C	*	.	H	α-helix	trans	-69.9	-42	175.1	-56.2	-75.4	0	0	0	111.5	F88 S142 L147 A148	F88-F144 AromaticContact CE2-CD1 3.86Å; F88-F144 HydrophobicContact CE2-CD1 3.86Å; F88-F144 AromaticContact CE2-CE1 3.65Å; F88-F144 HydrophobicContact CE2-CE1 3.65Å; F88-F144 AromaticContact CZ-CD1 3.71Å; F88-F144 HydrophobicContact CZ-CD1 3.71Å; F88-F144 HydrophobicContact CZ-CE1 4.01Å; F88-F144 HydrophobicContact CZ-CG 4.49Å; S142-F144 PolarHBondContact O-N 2.71Å; S142-F144 VanDerWaalsContact O-N 3.13Å; S142-F144 PolarHBondContact OG-N 3.42Å; F144-L147 PolarHBondContact O-N 2.93Å; F144-A148 PolarHBondContact O-N 3.32Å
145	T	98.7	Very high	98.5	Very high	45 Å²	45	42.6 Å²	42.6	28%	0.276	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-45.1	174.7	-50.6	0	0	0	0	110.5	D109 F110 D141 S142 L147 A148 W149	D109-T145 HydrophobicContact CB-CG2 3.82Å; D109-T145 WeakPolarHBondContact OD2-CG2 3.34Å; F110-T145 HydrophobicContact CD2-CG2 4.15Å; F110-T145 HydrophobicContact CE2-CG2 3.82Å; D141-T145 HydrophobicContact CB-CG2 4.33Å; S142-T145 WeakPolarHBondContact O-CB 3.46Å; S142-T145 PolarHBondContact O-N 3.48Å; S142-T145 PolarHBondContact OG-N 2.77Å; S142-T145 VanDerWaalsContact OG-N 3.1Å; S142-T145 PolarHBondContact OG-OG1 2.84Å; T145-L147 PolarHBondContact O-N 2.87Å; T145-A148 WeakPolarHBondContact O-CB 3.29Å; T145-A148 PolarHBondContact O-N 3.41Å; T145-A148 VanDerWaalsContact O-N 3.17Å; T145-W149 PolarHBondContact O-N 2.9Å
146	H	98.8	Very high	98.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.2	-48.9	175	-67.6	-18.7	0	0	0	112	V83 Y106 D109 S139 S142 A148 W149 I150 L166 L167	V83-H146 HydrophobicContact CB-CB 4.49Å; V83-H146 HydrophobicContact CG2-CB 3.62Å; Y106-H146 PolarHBondContact OH-CE1 3.02Å; Y106-H146 PolarHBondContact OH-ND1 3.05Å; D109-H146 IonicContact OD1-CE1 3.71Å; D109-H146 IonicContact OD1-ND1 3.54Å; D109-H146 PolarHBondContact OD1-ND1 3.18Å; D109-H146 WeakPolarHBondContact OD2-CA 3.3Å; D109-H146 IonicContact OD2-CE1 3.73Å; D109-H146 IonicContact OD2-CG 2.79Å; D109-H146 PolarHBondContact OD2-N 3.27Å; D109-H146 IonicContact OD2-ND1 2.8Å; D109-H146 PolarHBondContact OD2-ND1 3.21Å; S139-H146 PolarHBondContact OG-CE1 2.89Å; S142-H146 PolarHBondContact O-N 3.29Å; H146-A148 VanDerWaalsContact C-N 3.34Å; H146-A148 PolarHBondContact O-N 3.04Å; H146-W149 PolarHBondContact O-N 2.94Å; H146-I150 WeakPolarHBondContact O-CG1 3.31Å; H146-I150 PolarHBondContact O-N 2.99Å; H146-L166 HydrophobicContact CB-CB 4.26Å; H146-L166 HydrophobicContact CB-CD1 4.17Å; H146-L167 PolarHBondContact NE2-O 2.75Å
147	L	98.6	Very high	98.2	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-39.9	179.3	-177.9	60.6	0	0	0	111.8	V83 F88 Q143 F144 T145 W149 I150 N151	V83-L147 HydrophobicContact CG1-CB 4.49Å; V83-L147 HydrophobicContact CG1-CD1 4.11Å; V83-L147 HydrophobicContact CG2-CB 4.38Å; F88-L147 HydrophobicContact CE1-CB 4.04Å; F88-L147 HydrophobicContact CE1-CD2 3.95Å; F88-L147 HydrophobicContact CZ-CB 4.38Å; F88-L147 HydrophobicContact CZ-CD2 3.79Å; Q143-L147 PolarHBondContact O-N 3.34Å; Q143-L147 VanDerWaalsContact O-N 3.07Å; F144-L147 PolarHBondContact O-N 2.93Å; T145-L147 PolarHBondContact O-N 2.87Å; L147-W149 VanDerWaalsContact C-N 3.3Å; L147-W149 PolarHBondContact O-N 3Å; L147-I150 PolarHBondContact O-N 2.87Å; L147-N151 WeakPolarHBondContact O-CB 3.43Å; L147-N151 VanDerWaalsContact O-CG 3.23Å; L147-N151 PolarHBondContact O-N 3.34Å; L147-N151 PolarHBondContact O-ND2 3.47Å; L147-N151 VanDerWaalsContact O-ND2 3.14Å
148	A	98.6	Very high	98.1	Very high	46 Å²	46	51.6 Å²	51.6	38%	0.38	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-39.3	174	0	0	0	0	0	111.9	F110 F144 T145 H146 N151 T152	F110-A148 HydrophobicContact CZ-CB 4.37Å; F144-A148 PolarHBondContact O-N 3.32Å; T145-A148 WeakPolarHBondContact O-CB 3.29Å; T145-A148 PolarHBondContact O-N 3.41Å; T145-A148 VanDerWaalsContact O-N 3.17Å; H146-A148 VanDerWaalsContact C-N 3.34Å; H146-A148 PolarHBondContact O-N 3.04Å; A148-N151 PolarHBondContact O-N 2.94Å; A148-T152 PolarHBondContact O-N 3.03Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 2.95Å
149	W	98.6	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-73.3	-36.2	-179.9	-160.5	29.9	0	0	0	113	Y106 D109 F110 C114 P115 I118 T145 H146 L147 N151 T152 G157 L159	Y106-W149 HydrophobicContact CE2-CH2 4.43Å; Y106-W149 AromaticContact CE2-CZ3 3.76Å; Y106-W149 HydrophobicContact CE2-CZ3 3.76Å; D109-W149 HydrophobicContact CB-CD2 4.05Å; D109-W149 HydrophobicContact CB-CE3 3.7Å; D109-W149 HydrophobicContact CB-CZ3 4.11Å; D109-W149 VanDerWaalsContact OD1-CZ3 3.29Å; D109-W149 WeakPolarHBondContact OD1-CZ3 3.34Å; F110-W149 AromaticContact CD1-CD1 3.38Å; F110-W149 HydrophobicContact CD1-CG 4.19Å; F110-W149 AromaticContact CD1-NE1 3.77Å; F110-W149 HydrophobicContact CD2-CB 4.31Å; F110-W149 HydrophobicContact CD2-CG 4.13Å; F110-W149 HydrophobicContact CE1-CB 4.18Å; F110-W149 AromaticContact CE1-CD1 3.32Å; F110-W149 HydrophobicContact CE1-CG 4.01Å; F110-W149 HydrophobicContact CE2-CB 3.66Å; F110-W149 AromaticContact CE2-CG 3.93Å; F110-W149 HydrophobicContact CE2-CG 3.93Å; F110-W149 AromaticContact CG-CD1 3.79Å; F110-W149 HydrophobicContact CG-CG 4.26Å; F110-W149 HydrophobicContact CZ-CB 3.59Å; F110-W149 AromaticContact CZ-CD1 3.66Å; F110-W149 AromaticContact CZ-CG 3.87Å; F110-W149 HydrophobicContact CZ-CG 3.87Å; F110-W149 VanDerWaalsContact N-CZ2 3.31Å; C114-W149 HydrophobicContact CB-CH2 3.9Å; P115-W149 HydrophobicContact CB-CH2 4.03Å; P115-W149 HydrophobicContact CB-CZ2 3.58Å; P115-W149 HydrophobicContact CG-CH2 4.37Å; P115-W149 HydrophobicContact CG-CZ2 3.83Å; I118-W149 HydrophobicContact CD1-CH2 4Å; I118-W149 HydrophobicContact CD1-CZ3 3.62Å; T145-W149 PolarHBondContact O-N 2.9Å; H146-W149 PolarHBondContact O-N 2.94Å; L147-W149 VanDerWaalsContact C-N 3.3Å; L147-W149 PolarHBondContact O-N 3Å; W149-N151 VanDerWaalsContact C-N 3.32Å; W149-T152 WeakPolarHBondContact O-CB 3.36Å; W149-T152 PolarHBondContact O-N 2.85Å; W149-G157 PolarHBondContact NE1-O 3.4Å; W149-L159 HydrophobicContact CD2-CD1 3.92Å; W149-L159 HydrophobicContact CD2-CD2 4.21Å; W149-L159 HydrophobicContact CD2-CG 3.73Å; W149-L159 HydrophobicContact CE3-CD1 3.54Å; W149-L159 HydrophobicContact CE3-CD2 4.16Å; W149-L159 HydrophobicContact CE3-CG 3.82Å; W149-L159 HydrophobicContact CG-CD1 4.42Å; W149-L159 HydrophobicContact CG-CG 4.15Å; W149-L159 HydrophobicContact CH2-CD2 4.03Å; W149-L159 HydrophobicContact CZ2-CD2 4.09Å; W149-L159 HydrophobicContact CZ2-CG 4.49Å; W149-L159 HydrophobicContact CZ3-CD1 4Å; W149-L159 HydrophobicContact CZ3-CD2 4.05Å; W149-L159 HydrophobicContact CZ3-CG 4.22Å; W149-L159 PolarHBondContact O-N 3.48Å
150	I	98.6	Very high	98	Very high	18 Å²	18	52 Å²	52	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-44.7	167.9	-73.3	167.1	0	0	0	110.7	V83 H146 L147 T152 L159 G160 M162 L166	V83-I150 HydrophobicContact CB-CD1 4.04Å; V83-I150 HydrophobicContact CG1-CD1 3.64Å; H146-I150 WeakPolarHBondContact O-CG1 3.31Å; H146-I150 PolarHBondContact O-N 2.99Å; L147-I150 PolarHBondContact O-N 2.87Å; I150-T152 PolarHBondContact O-N 3.06Å; I150-L159 HydrophobicContact CG1-CD1 4.21Å; I150-G160 CarbonylContact O-C 3.37Å; I150-G160 WeakPolarHBondContact O-CA 3.5Å; I150-G160 PolarHBondContact O-N 3.16Å; I150-M162 HydrophobicContact CD1-CG 4.37Å; I150-M162 HydrophobicContact CG1-CG 3.9Å; I150-L166 HydrophobicContact CD1-CD1 3.77Å; I150-L166 HydrophobicContact CD1-CG 4.37Å; I150-L166 HydrophobicContact CG1-CD1 3.94Å
151	N	98.2	Very high	97.9	Very high	118 Å²	118	57 Å²	57	63%	0.631	31%	0.307	S	S	*	.	H	α-helix	trans	-73	-12.1	179.2	-70	-27.9	0	0	0	113.6	L147 A148 W149	L147-N151 WeakPolarHBondContact O-CB 3.43Å; L147-N151 VanDerWaalsContact O-CG 3.23Å; L147-N151 PolarHBondContact O-N 3.34Å; L147-N151 PolarHBondContact O-ND2 3.47Å; L147-N151 VanDerWaalsContact O-ND2 3.14Å; A148-N151 PolarHBondContact O-N 2.94Å; W149-N151 VanDerWaalsContact C-N 3.32Å
152	T	98.2	Very high	97.8	Very high	30 Å²	30	56.7 Å²	56.7	18%	0.184	31%	0.305	C	S	.	.	S	Bend	trans	-79.9	129.5	175.3	-58.1	0	0	0	0	109.9	A148 W149 I150 Q156 G158 L159 G160	A148-T152 PolarHBondContact O-N 3.03Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 2.95Å; W149-T152 WeakPolarHBondContact O-CB 3.36Å; W149-T152 PolarHBondContact O-N 2.85Å; I150-T152 PolarHBondContact O-N 3.06Å; T152-Q156 HydrophobicContact CG2-CB 4.11Å; T152-G158 CarbonylContact O-C 3.53Å; T152-G158 VanDerWaalsContact O-CA 3.31Å; T152-G158 WeakPolarHBondContact O-CA 3.48Å; T152-L159 PolarHBondContact O-N 3.43Å; T152-G160 PolarHBondContact O-N 3.48Å
153	P	98	Very high	97.8	Very high	66 Å²	66	62 Å²	62	43%	0.429	33%	0.325	S	S	.	.			trans	-61.9	142.9	178.1	-24.6	34.4	0	0	0	113	K155 Q156 G158	P153-K155 PolarHBondContact O-N 2.91Å; P153-K155 VanDerWaalsContact O-N 3.1Å; P153-Q156 WeakPolarHBondContact O-CA 3.39Å; P153-Q156 PolarHBondContact O-N 3.48Å; P153-G158 PolarHBondContact O-N 3.34Å; P153-G158 VanDerWaalsContact O-N 3.14Å
154	R	97.6	Very high	97.8	Very high	99 Å²	99	60.8 Å²	60.8	37%	0.374	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-52.8	-34.8	176.2	-67.1	-174	-178	-174.1	3.5	113.8	I119 D123 Q156 G157 G158 L159	I119-R154 HydrophobicContact CD1-CG 3.94Å; I119-R154 VanDerWaalsContact CG2-CZ 3.49Å; D123-R154 IonicContact OD1-CZ 2.77Å; D123-R154 IonicContact OD1-NH1 2.81Å; D123-R154 PolarHBondContact OD1-NH1 3.03Å; D123-R154 IonicContact OD1-NH2 3.69Å; D123-R154 PolarHBondContact OD1-NH2 3.16Å; D123-R154 IonicContact OD2-CZ 3.77Å; D123-R154 IonicContact OD2-NH1 2.71Å; D123-R154 PolarHBondContact OD2-NH1 3.3Å; D123-R154 IonicContact OD2-NH2 3.77Å; R154-Q156 PolarHBondContact O-N 3.34Å; R154-G157 PolarHBondContact O-N 3.46Å; R154-G158 WeakPolarHBondContact CA-O 3.19Å; R154-L159 WeakPolarHBondContact CG-O 3.48Å; R154-L159 PolarHBondContact NE-O 3.45Å
155	K	96.8	Very high	97.8	Very high	211 Å²	211	55.4 Å²	55.4	92%	0.917	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18.1	176.7	-69.5	-173.9	178.5	-179.4	0	114	P153	P153-K155 PolarHBondContact O-N 2.91Å; P153-K155 VanDerWaalsContact O-N 3.1Å
156	Q	95.6	Very high	97.8	Very high	151 Å²	151	53.3 Å²	53.3	71%	0.706	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-107.1	14.4	178.1	-62.4	177	2.1	0	0	111.7	T152 P153 R154 G158	T152-Q156 HydrophobicContact CG2-CB 4.11Å; P153-Q156 WeakPolarHBondContact O-CA 3.39Å; P153-Q156 PolarHBondContact O-N 3.48Å; R154-Q156 PolarHBondContact O-N 3.34Å; Q156-G158 VanDerWaalsContact C-N 3.35Å
157	G	94.8	Very high	97.8	Very high	38 Å²	38	53.3 Å²	53.3	39%	0.392	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	13.1	-176.6	0	0	0	0	0	114.4	W149 R154	W149-G157 PolarHBondContact NE1-O 3.4Å; R154-G157 PolarHBondContact O-N 3.46Å
158	G	97.4	Very high	97.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	28%	0.278	C	S	.	.			trans	-83.1	-179.1	171	0	0	0	0	0	113.8	T152 P153 R154 Q156	T152-G158 CarbonylContact O-C 3.53Å; T152-G158 VanDerWaalsContact O-CA 3.31Å; T152-G158 WeakPolarHBondContact O-CA 3.48Å; P153-G158 PolarHBondContact O-N 3.34Å; P153-G158 VanDerWaalsContact O-N 3.14Å; R154-G158 WeakPolarHBondContact CA-O 3.19Å; Q156-G158 VanDerWaalsContact C-N 3.35Å
159	L	98.3	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.			trans	-93.3	-34.3	179.7	-58.8	178.7	0	0	0	112.7	P115 I118 I119 W149 I150 T152 R154 M162 L166	P115-L159 HydrophobicContact CB-CD2 3.81Å; I118-L159 HydrophobicContact CB-CD2 4.11Å; I118-L159 HydrophobicContact CD1-CD1 4.46Å; I118-L159 HydrophobicContact CD1-CD2 4.23Å; I118-L159 HydrophobicContact CG2-CD1 4.13Å; I118-L159 HydrophobicContact CG2-CD2 4.06Å; I119-L159 HydrophobicContact CG1-CD2 4.32Å; W149-L159 HydrophobicContact CD2-CD1 3.92Å; W149-L159 HydrophobicContact CD2-CD2 4.21Å; W149-L159 HydrophobicContact CD2-CG 3.73Å; W149-L159 HydrophobicContact CE3-CD1 3.54Å; W149-L159 HydrophobicContact CE3-CD2 4.16Å; W149-L159 HydrophobicContact CE3-CG 3.82Å; W149-L159 HydrophobicContact CG-CD1 4.42Å; W149-L159 HydrophobicContact CG-CG 4.15Å; W149-L159 HydrophobicContact CH2-CD2 4.03Å; W149-L159 HydrophobicContact CZ2-CD2 4.09Å; W149-L159 HydrophobicContact CZ2-CG 4.49Å; W149-L159 HydrophobicContact CZ3-CD1 4Å; W149-L159 HydrophobicContact CZ3-CD2 4.05Å; W149-L159 HydrophobicContact CZ3-CG 4.22Å; W149-L159 PolarHBondContact O-N 3.48Å; I150-L159 HydrophobicContact CG1-CD1 4.21Å; T152-L159 PolarHBondContact O-N 3.43Å; R154-L159 WeakPolarHBondContact CG-O 3.48Å; R154-L159 PolarHBondContact NE-O 3.45Å; L159-M162 HydrophobicContact CB-CE 3.89Å; L159-M162 HydrophobicContact CB-CG 4.1Å; L159-M162 HydrophobicContact CB-SD 3.96Å; L159-M162 HydrophobicContact CD1-CG 4.29Å; L159-M162 HydrophobicContact CD1-SD 4.36Å; L159-M162 WeakPolarHBondContact O-CE 3.31Å; L159-L166 HydrophobicContact CD1-CD1 3.55Å
160	G	97.4	Very high	97.8	Very high	8 Å²	8	54.5 Å²	54.5	8%	0.082	29%	0.285	C	S	.	.			trans	67.2	-164.8	-165.2	0	0	0	0	0	112.5	I150 T152 M162	I150-G160 CarbonylContact O-C 3.37Å; I150-G160 WeakPolarHBondContact O-CA 3.5Å; I150-G160 PolarHBondContact O-N 3.16Å; T152-G160 PolarHBondContact O-N 3.48Å; G160-M162 PolarHBondContact O-N 3.36Å
161	P	96	Very high	97.8	Very high	116 Å²	116	59 Å²	59	75%	0.753	31%	0.314	S	S	*	.	S	Bend	trans	-57.8	126.1	179.9	-24.1	33.9	0	0	0	112.2
162	M	97.6	Very high	97.8	Very high	21 Å²	21	55.7 Å²	55.7	10%	0.103	30%	0.295	C	S	.	.			trans	-107.4	144.8	-178.1	-71.2	-63.7	96.2	0	0	112	I118 I119 I150 L159 G160	I118-M162 HydrophobicContact CG2-SD 3.79Å; I119-M162 HydrophobicContact CG1-CE 4.33Å; I150-M162 HydrophobicContact CD1-CG 4.37Å; I150-M162 HydrophobicContact CG1-CG 3.9Å; L159-M162 HydrophobicContact CB-CE 3.89Å; L159-M162 HydrophobicContact CB-CG 4.1Å; L159-M162 HydrophobicContact CB-SD 3.96Å; L159-M162 HydrophobicContact CD1-CG 4.29Å; L159-M162 HydrophobicContact CD1-SD 4.36Å; L159-M162 WeakPolarHBondContact O-CE 3.31Å; G160-M162 PolarHBondContact O-N 3.36Å
163	K	98.5	Very high	97.9	Very high	133 Å²	133	58.9 Å²	58.9	58%	0.578	31%	0.307	S	S	*	.	S	Bend	trans	-111.1	4.4	177.3	-58.6	177	-174.4	169.8	0	113	S122 V125	S122-K163 PolarHBondContact OG-N 3.12Å; V125-K163 HydrophobicContact CG1-CB 3.79Å; V125-K163 HydrophobicContact CG1-CD 4.2Å
164	I	98.8	Very high	97.9	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	29%	0.29	C	S	.	.	S	Bend	trans	-124.6	146	176.8	59.7	174.9	0	0	0	109	F104 I118 F121 V125 V135 A137	F104-I164 HydrophobicContact CE1-CD1 4.3Å; F104-I164 HydrophobicContact CZ-CD1 4.39Å; I118-I164 HydrophobicContact CG2-CD1 4.21Å; F121-I164 HydrophobicContact CB-CD1 4.1Å; V125-I164 HydrophobicContact CB-CG2 3.92Å; V125-I164 HydrophobicContact CG2-CG2 3.56Å; V135-I164 HydrophobicContact CB-CG2 3.96Å; V135-I164 HydrophobicContact CG1-CD1 4.37Å; V135-I164 HydrophobicContact CG1-CG2 4.35Å; A137-I164 HydrophobicContact CB-CD1 4.44Å
165	P	98.8	Very high	98	Very high	16 Å²	16	51.7 Å²	51.7	10%	0.104	27%	0.273	C	S	.	.			trans	-63.9	141.5	174	-23.8	36.2	0	0	0	112.5	A82 I84 L91 V135 V136 A137	A82-P165 HydrophobicContact CB-CB 4.32Å; I84-P165 HydrophobicContact CD1-CB 4.17Å; I84-P165 HydrophobicContact CD1-CG 4.09Å; I84-P165 HydrophobicContact CG1-CB 3.87Å; I84-P165 HydrophobicContact CG1-CG 4.06Å; L91-P165 HydrophobicContact CD2-CB 3.89Å; L91-P165 HydrophobicContact CD2-CG 4.24Å; V135-P165 WeakPolarHBondContact O-CD 3.41Å; V136-P165 HydrophobicContact CG1-CB 4.46Å; V136-P165 HydrophobicContact CG2-CB 4.38Å; V136-P165 HydrophobicContact CG2-CG 4.21Å; A137-P165 PolarHBondContact N-O 3.2Å; A137-P165 VanDerWaalsContact N-O 3.1Å
166	L	98.9	Very high	98.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.4	165.2	-56.4	-173.1	0	0	0	109.2	A82 V83 I118 A137 H146 I150 L159	A82-L166 CarbonylContact C-O 3.58Å; A82-L166 WeakPolarHBondContact CA-O 3.12Å; A82-L166 WeakPolarHBondContact CB-O 3.4Å; V83-L166 PolarHBondContact N-O 2.8Å; V83-L166 PolarHBondContact O-N 3.45Å; I118-L166 HydrophobicContact CG2-CD2 3.93Å; A137-L166 HydrophobicContact CB-CD2 3.69Å; H146-L166 HydrophobicContact CB-CB 4.26Å; H146-L166 HydrophobicContact CB-CD1 4.17Å; I150-L166 HydrophobicContact CD1-CD1 3.77Å; I150-L166 HydrophobicContact CD1-CG 4.37Å; I150-L166 HydrophobicContact CG1-CD1 3.94Å; L159-L166 HydrophobicContact CD1-CD1 3.55Å
167	L	98.9	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.4	-177.7	-177.3	71.4	0	0	0	111.2	W78 A82 L91 F103 V136 A137 C138 S139 H146 I174	W78-L167 HydrophobicContact CD2-CD2 4.16Å; W78-L167 HydrophobicContact CE3-CD2 3.66Å; W78-L167 HydrophobicContact CH2-CD2 4.43Å; W78-L167 HydrophobicContact CZ3-CD1 4.32Å; W78-L167 HydrophobicContact CZ3-CD2 3.81Å; A82-L167 HydrophobicContact CB-CB 4.43Å; A82-L167 HydrophobicContact CB-CD1 4.08Å; L91-L167 HydrophobicContact CB-CD1 4.47Å; F103-L167 HydrophobicContact CE2-CD2 3.99Å; F103-L167 HydrophobicContact CZ-CD2 4.2Å; V136-L167 HydrophobicContact CG1-CB 4.17Å; A137-L167 PolarHBondContact O-N 2.81Å; C138-L167 VanDerWaalsContact CA-O 3.29Å; C138-L167 WeakPolarHBondContact CA-O 3.47Å; C138-L167 HydrophobicContact CB-CB 4.1Å; C138-L167 HydrophobicContact CB-CD2 4.41Å; C138-L167 PolarHBondContact SG-O 2.85Å; S139-L167 PolarHBondContact N-O 2.88Å; H146-L167 PolarHBondContact NE2-O 2.75Å; L167-I174 HydrophobicContact CD2-CD1 4.03Å
168	S	98.9	Very high	98.4	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128	176.1	-179.8	0	0	0	0	111.7	T81 D141 S142	T81-S168 WeakPolarHBondContact O-CB 3.48Å; T81-S168 PolarHBondContact O-N 3.14Å; D141-S168 VanDerWaalsContact O-CB 3.29Å; D141-S168 WeakPolarHBondContact O-CB 3.33Å; D141-S168 PolarHBondContact O-OG 2.94Å; S142-S168 WeakPolarHBondContact CA-OG 3.49Å
169	D	98.9	Very high	98.4	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.201	C	C	.	.			trans	-117.3	55.1	173.4	-177.5	34	0	0	0	111.6	S139 T171 H172 Q173 I174 S175	S139-D169 WeakPolarHBondContact O-CB 3.44Å; S139-D169 PolarHBondContact O-N 2.96Å; D169-T171 PolarHBondContact O-N 3.33Å; D169-H172 PolarHBondContact O-CD2 2.78Å; D169-H172 PolarHBondContact O-N 2.76Å; D169-H172 PolarHBondContact OD1-N 3.33Å; D169-H172 VanDerWaalsContact OD2-C 3.3Å; D169-H172 VanDerWaalsContact OD2-CA 3.29Å; D169-H172 WeakPolarHBondContact OD2-CA 3.24Å; D169-Q173 PolarHBondContact OD1-N 3.26Å; D169-Q173 VanDerWaalsContact OD1-N 3.16Å; D169-I174 HydrophobicContact CB-CB 4.21Å; D169-I174 HydrophobicContact CB-CD1 4.17Å; D169-I174 HydrophobicContact CB-CG1 4.45Å; D169-I174 WeakPolarHBondContact OD1-CG1 3.44Å; D169-I174 PolarHBondContact OD1-N 2.98Å; D169-I174 PolarHBondContact OD2-N 3.36Å; D169-S175 WeakPolarHBondContact OD2-CB 3.36Å; D169-S175 PolarHBondContact OD2-N 3.22Å; D169-S175 PolarHBondContact OD2-OG 3.42Å
170	L	98.3	Very high	98.4	Very high	99 Å²	99	37.8 Å²	37.8	52%	0.518	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.2	-179.4	-82.4	169.1	0	0	0	114.8	H172	L170-H172 PolarHBondContact O-CD2 2.97Å
171	T	98.3	Very high	98.5	Very high	113 Å²	113	39.1 Å²	39.1	69%	0.693	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-7.8	-179.9	67.5	0	0	0	0	112.9	D169 Q173	D169-T171 PolarHBondContact O-N 3.33Å; T171-Q173 PolarHBondContact O-N 3.42Å; T171-Q173 VanDerWaalsContact O-N 3.08Å; T171-Q173 WeakPolarHBondContact OG1-CB 3.37Å; T171-Q173 PolarHBondContact OG1-N 2.82Å
172	H	98.6	Very high	98.5	Very high	49 Å²	49	35.8 Å²	35.8	23%	0.227	18%	0.18	C	C	.	.	S	Bend	trans	62.9	5.3	-174.9	-42.6	164.6	0	0	0	113.5	D169 L170 I174 S175 K176 Y181	D169-H172 PolarHBondContact O-CD2 2.78Å; D169-H172 PolarHBondContact O-N 2.76Å; D169-H172 PolarHBondContact OD1-N 3.33Å; D169-H172 VanDerWaalsContact OD2-C 3.3Å; D169-H172 VanDerWaalsContact OD2-CA 3.29Å; D169-H172 WeakPolarHBondContact OD2-CA 3.24Å; L170-H172 PolarHBondContact O-CD2 2.97Å; H172-I174 PolarHBondContact O-N 2.99Å; H172-S175 PolarHBondContact O-N 3.17Å; H172-K176 WeakPolarHBondContact O-CB 3.44Å; H172-K176 VanDerWaalsContact O-CG 3.23Å; H172-K176 WeakPolarHBondContact O-CG 3.44Å; H172-K176 PolarHBondContact O-N 3.44Å; H172-Y181 HydrophobicContact CB-CD2 3.95Å; H172-Y181 HydrophobicContact CB-CE2 3.72Å; H172-Y181 AromaticContact CE1-CE2 3.92Å; H172-Y181 AromaticContact CE1-CZ 3.98Å; H172-Y181 PolarHBondContact CE1-OH 3.42Å; H172-Y181 AromaticContact CG-CE2 3.51Å; H172-Y181 AromaticContact CG-CZ 3.9Å; H172-Y181 AromaticContact ND1-CE2 3.31Å; H172-Y181 VanDerWaalsContact ND1-CE2 3.31Å; H172-Y181 WeakPolarHBondContact ND1-CE2 3.39Å; H172-Y181 AromaticContact ND1-CZ 3.27Å; H172-Y181 VanDerWaalsContact ND1-CZ 3.27Å; H172-Y181 PolarHBondContact ND1-OH 3.03Å
173	Q	98.7	Very high	98.3	Very high	97 Å²	97	40.6 Å²	40.6	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-68.3	-38.6	-174	-173.8	61.8	64.9	0	0	110.9	D169 T171 K176 D177	D169-Q173 PolarHBondContact OD1-N 3.26Å; D169-Q173 VanDerWaalsContact OD1-N 3.16Å; T171-Q173 PolarHBondContact O-N 3.42Å; T171-Q173 VanDerWaalsContact O-N 3.08Å; T171-Q173 WeakPolarHBondContact OG1-CB 3.37Å; T171-Q173 PolarHBondContact OG1-N 2.82Å; Q173-K176 PolarHBondContact O-N 3.19Å; Q173-D177 PolarHBondContact NE2-OD1 3.33Å; Q173-D177 VanDerWaalsContact O-CB 3.3Å; Q173-D177 WeakPolarHBondContact O-CB 3.28Å; Q173-D177 VanDerWaalsContact O-CG 3.25Å; Q173-D177 PolarHBondContact O-N 3.13Å
174	I	98.8	Very high	98.1	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.072	21%	0.206	C	C	.	.	H	α-helix	trans	-67.9	-46	179.2	-53.3	172.4	0	0	0	108.9	W78 F103 F105 L167 D169 H172 K176 D177 Y178	W78-I174 HydrophobicContact CB-CD1 4.08Å; W78-I174 HydrophobicContact CB-CG1 4.02Å; W78-I174 HydrophobicContact CB-CG2 3.83Å; W78-I174 HydrophobicContact CG-CG2 4.28Å; F103-I174 HydrophobicContact CE1-CG2 4.2Å; F103-I174 HydrophobicContact CZ-CG2 3.96Å; F105-I174 HydrophobicContact CE1-CG2 4.04Å; F105-I174 HydrophobicContact CZ-CG2 3.89Å; L167-I174 HydrophobicContact CD2-CD1 4.03Å; D169-I174 HydrophobicContact CB-CB 4.21Å; D169-I174 HydrophobicContact CB-CD1 4.17Å; D169-I174 HydrophobicContact CB-CG1 4.45Å; D169-I174 WeakPolarHBondContact OD1-CG1 3.44Å; D169-I174 PolarHBondContact OD1-N 2.98Å; D169-I174 PolarHBondContact OD2-N 3.36Å; H172-I174 PolarHBondContact O-N 2.99Å; I174-K176 VanDerWaalsContact C-N 3.34Å; I174-K176 PolarHBondContact O-N 2.99Å; I174-D177 PolarHBondContact O-N 2.89Å; I174-Y178 HydrophobicContact CG2-CD2 4.12Å; I174-Y178 HydrophobicContact CG2-CE2 4.28Å; I174-Y178 VanDerWaalsContact O-CD2 3.3Å; I174-Y178 WeakPolarHBondContact O-CD2 3.44Å; I174-Y178 PolarHBondContact O-N 3.35Å
175	S	98.8	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-40.8	177.8	-60.1	0	0	0	0	112.5	D169 H172 G179 V180 Y181 T188	D169-S175 WeakPolarHBondContact OD2-CB 3.36Å; D169-S175 PolarHBondContact OD2-N 3.22Å; D169-S175 PolarHBondContact OD2-OG 3.42Å; H172-S175 PolarHBondContact O-N 3.17Å; S175-G179 PolarHBondContact O-N 3.1Å; S175-V180 WeakPolarHBondContact O-CG2 3.23Å; S175-V180 PolarHBondContact O-N 3.25Å; S175-Y181 PolarHBondContact O-N 2.92Å; S175-T188 WeakPolarHBondContact OG-CG2 3.23Å
176	K	98.6	Very high	97.6	Very high	77 Å²	77	44.5 Å²	44.5	34%	0.335	23%	0.233	S	C	.	.	H	α-helix	trans	-68.7	-43.1	175.4	-74.4	178.9	-179.8	-148.9	0	112	H172 Q173 I174 Y178 G179 Y181 E183	H172-K176 WeakPolarHBondContact O-CB 3.44Å; H172-K176 VanDerWaalsContact O-CG 3.23Å; H172-K176 WeakPolarHBondContact O-CG 3.44Å; H172-K176 PolarHBondContact O-N 3.44Å; Q173-K176 PolarHBondContact O-N 3.19Å; I174-K176 VanDerWaalsContact C-N 3.34Å; I174-K176 PolarHBondContact O-N 2.99Å; K176-Y178 VanDerWaalsContact C-N 3.26Å; K176-Y178 PolarHBondContact O-N 2.85Å; K176-G179 PolarHBondContact O-N 3.22Å; K176-Y181 HydrophobicContact CD-CD1 4.42Å; K176-Y181 VanDerWaalsContact CE-CD1 3.41Å; K176-Y181 VanDerWaalsContact CE-CE1 3.5Å; K176-Y181 HydrophobicContact CG-CD1 4.02Å; K176-Y181 HydrophobicContact CG-CG 4.08Å; K176-E183 WeakPolarHBondContact CE-OE1 3.38Å; K176-E183 IonicContact NZ-OE1 2.72Å; K176-E183 PolarHBondContact NZ-OE1 2.98Å; K176-E183 IonicContact NZ-OE2 2.92Å; K176-E183 PolarHBondContact NZ-OE2 3.02Å; K176-E183 VanDerWaalsContact NZ-OE2 3.09Å
177	D	98.8	Very high	97.5	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.118	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-36	177.9	-81.3	4.9	0	0	0	112.3	S67 K68 A69 P76 Q173 I174	S67-D177 PolarHBondContact OG-O 2.96Å; K68-D177 WeakPolarHBondContact CB-O 3.48Å; K68-D177 HydrophobicContact CD-CB 4.15Å; K68-D177 WeakPolarHBondContact CE-OD1 3.34Å; K68-D177 PolarHBondContact N-O 3.5Å; K68-D177 IonicContact NZ-OD1 3.6Å; K68-D177 PolarHBondContact NZ-OD1 3.18Å; K68-D177 IonicContact NZ-OD2 2.85Å; K68-D177 PolarHBondContact NZ-OD2 3.38Å; A69-D177 PolarHBondContact N-O 3.01Å; P76-D177 HydrophobicContact CB-CB 4.19Å; Q173-D177 PolarHBondContact NE2-OD1 3.33Å; Q173-D177 VanDerWaalsContact O-CB 3.3Å; Q173-D177 WeakPolarHBondContact O-CB 3.28Å; Q173-D177 VanDerWaalsContact O-CG 3.25Å; Q173-D177 PolarHBondContact O-N 3.13Å; I174-D177 PolarHBondContact O-N 2.89Å
178	Y	98.8	Very high	97.5	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-84	-8.9	175.2	-80.6	-103.6	0	0	0	113.5	S67 A69 P76 W78 F103 F105 I174 K176 F193	S67-Y178 VanDerWaalsContact OG-C 3.3Å; S67-Y178 PolarHBondContact OG-O 2.87Å; A69-Y178 HydrophobicContact CB-CD1 4.5Å; P76-Y178 HydrophobicContact CB-CD2 4.18Å; P76-Y178 HydrophobicContact CB-CE2 3.74Å; P76-Y178 HydrophobicContact CG-CD2 4.34Å; P76-Y178 HydrophobicContact CG-CE2 4.13Å; P76-Y178 WeakPolarHBondContact O-CE2 3.47Å; P76-Y178 PolarHBondContact O-OH 2.73Å; W78-Y178 AromaticContact CD1-CE2 3.77Å; W78-Y178 AromaticContact CD1-CZ 3.83Å; F103-Y178 HydrophobicContact CD1-CD1 4.21Å; F103-Y178 AromaticContact CD1-CE1 3.67Å; F103-Y178 HydrophobicContact CD1-CE1 3.67Å; F103-Y178 HydrophobicContact CD1-CE2 4.46Å; F103-Y178 AromaticContact CD1-CZ 3.83Å; F103-Y178 HydrophobicContact CE1-CD1 4.21Å; F103-Y178 HydrophobicContact CE1-CD2 4.22Å; F103-Y178 AromaticContact CE1-CE1 3.9Å; F103-Y178 HydrophobicContact CE1-CE1 3.9Å; F103-Y178 AromaticContact CE1-CE2 3.93Å; F103-Y178 HydrophobicContact CE1-CE2 3.93Å; F103-Y178 HydrophobicContact CE1-CG 4.37Å; F103-Y178 AromaticContact CE1-CZ 3.76Å; F105-Y178 AromaticContact CE2-CD1 3.97Å; F105-Y178 HydrophobicContact CE2-CD1 3.97Å; F105-Y178 HydrophobicContact CE2-CD2 4.46Å; F105-Y178 AromaticContact CE2-CG 3.8Å; F105-Y178 HydrophobicContact CE2-CG 3.8Å; F105-Y178 HydrophobicContact CZ-CD1 4.38Å; F105-Y178 HydrophobicContact CZ-CD2 4.07Å; F105-Y178 AromaticContact CZ-CG 3.81Å; F105-Y178 HydrophobicContact CZ-CG 3.81Å; I174-Y178 HydrophobicContact CG2-CD2 4.12Å; I174-Y178 HydrophobicContact CG2-CE2 4.28Å; I174-Y178 VanDerWaalsContact O-CD2 3.3Å; I174-Y178 WeakPolarHBondContact O-CD2 3.44Å; I174-Y178 PolarHBondContact O-N 3.35Å; K176-Y178 VanDerWaalsContact C-N 3.26Å; K176-Y178 PolarHBondContact O-N 2.85Å; Y178-F193 AromaticContact CD1-CD1 3.78Å; Y178-F193 HydrophobicContact CD1-CD1 3.78Å; Y178-F193 AromaticContact CD1-CD2 3.69Å; Y178-F193 HydrophobicContact CD1-CD2 3.69Å; Y178-F193 AromaticContact CD1-CE1 3.74Å; Y178-F193 HydrophobicContact CD1-CE1 3.74Å; Y178-F193 AromaticContact CD1-CE2 3.66Å; Y178-F193 HydrophobicContact CD1-CE2 3.66Å; Y178-F193 AromaticContact CD1-CG 3.78Å; Y178-F193 HydrophobicContact CD1-CG 3.78Å; Y178-F193 AromaticContact CD1-CZ 3.69Å; Y178-F193 HydrophobicContact CD1-CZ 3.69Å; Y178-F193 HydrophobicContact CE1-CB 4.45Å; Y178-F193 HydrophobicContact CE1-CD1 4.17Å; Y178-F193 HydrophobicContact CE1-CD2 4.21Å; Y178-F193 HydrophobicContact CE1-CG 4.01Å; Y178-F193 HydrophobicContact CG-CE2 4.33Å; Y178-F193 HydrophobicContact CG-CZ 4.3Å
179	G	98.3	Very high	97.4	Very high	5 Å²	5	46.5 Å²	46.5	5%	0.052	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	27.4	176.4	0	0	0	0	0	114.5	H65 S67 S175 K176	H65-G179 PolarHBondContact CE1-O 3.1Å; H65-G179 VanDerWaalsContact CE1-O 3.28Å; H65-G179 PolarHBondContact NE2-O 3.26Å; S67-G179 PolarHBondContact OG-N 2.93Å; S175-G179 PolarHBondContact O-N 3.1Å; K176-G179 PolarHBondContact O-N 3.22Å
180	V	98.4	Very high	97.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.242	C	C	.	.			trans	-109.3	-2.9	-177.5	-62.7	0	0	0	0	113.3	F105 S175 T188 L189 F193 M206	F105-V180 HydrophobicContact CB-CG2 4.21Å; F105-V180 HydrophobicContact CD1-CG2 3.9Å; F105-V180 HydrophobicContact CD2-CG1 4.45Å; F105-V180 HydrophobicContact CD2-CG2 3.79Å; F105-V180 HydrophobicContact CE1-CG2 4.12Å; F105-V180 HydrophobicContact CE2-CG2 4.02Å; F105-V180 HydrophobicContact CG-CG2 3.7Å; F105-V180 HydrophobicContact CZ-CG2 4.15Å; S175-V180 WeakPolarHBondContact O-CG2 3.23Å; S175-V180 PolarHBondContact O-N 3.25Å; V180-T188 HydrophobicContact CG2-CG2 4.03Å; V180-T188 CarbonylContact O-C 3.5Å; V180-T188 VanDerWaalsContact O-CA 3.24Å; V180-T188 WeakPolarHBondContact O-CA 3.5Å; V180-L189 HydrophobicContact CB-CD1 4.11Å; V180-L189 HydrophobicContact CB-CG 4.29Å; V180-L189 HydrophobicContact CG1-CD1 4.11Å; V180-L189 PolarHBondContact O-N 3.26Å; V180-F193 HydrophobicContact CG1-CE2 3.84Å; V180-F193 HydrophobicContact CG1-CZ 3.7Å; V180-M206 HydrophobicContact CG1-CE 4.33Å
181	Y	98.3	Very high	97.4	Very high	36 Å²	36	42.1 Å²	42.1	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.5	179.9	-172.8	-105.6	0	0	0	111.7	V140 H172 S175 K176 E183 G186	V140-Y181 HydrophobicContact CG1-CD2 4.48Å; V140-Y181 HydrophobicContact CG1-CE2 4.4Å; H172-Y181 HydrophobicContact CB-CD2 3.95Å; H172-Y181 HydrophobicContact CB-CE2 3.72Å; H172-Y181 AromaticContact CE1-CE2 3.92Å; H172-Y181 AromaticContact CE1-CZ 3.98Å; H172-Y181 PolarHBondContact CE1-OH 3.42Å; H172-Y181 AromaticContact CG-CE2 3.51Å; H172-Y181 AromaticContact CG-CZ 3.9Å; H172-Y181 AromaticContact ND1-CE2 3.31Å; H172-Y181 VanDerWaalsContact ND1-CE2 3.31Å; H172-Y181 WeakPolarHBondContact ND1-CE2 3.39Å; H172-Y181 AromaticContact ND1-CZ 3.27Å; H172-Y181 VanDerWaalsContact ND1-CZ 3.27Å; H172-Y181 PolarHBondContact ND1-OH 3.03Å; S175-Y181 PolarHBondContact O-N 2.92Å; K176-Y181 HydrophobicContact CD-CD1 4.42Å; K176-Y181 VanDerWaalsContact CE-CD1 3.41Å; K176-Y181 VanDerWaalsContact CE-CE1 3.5Å; K176-Y181 HydrophobicContact CG-CD1 4.02Å; K176-Y181 HydrophobicContact CG-CG 4.08Å; Y181-E183 HydrophobicContact CD1-CG 4.1Å; Y181-E183 HydrophobicContact CE1-CB 4.45Å; Y181-E183 HydrophobicContact CE1-CG 4.23Å; Y181-E183 VanDerWaalsContact CE1-OE2 3.29Å; Y181-E183 WeakPolarHBondContact CE1-OE2 3.13Å; Y181-G186 WeakPolarHBondContact OH-CA 3.4Å
182	L	95.8	Very high	97.4	Very high	46 Å²	46	36.8 Å²	36.8	24%	0.241	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	101.1	174.2	-62.6	174.2	0	0	0	108.7	D184 Q185 G186 H187 L189 L209	L182-D184 PolarHBondContact O-N 3.49Å; L182-Q185 HydrophobicContact CB-CB 4.08Å; L182-Q185 HydrophobicContact CB-CG 4.42Å; L182-Q185 PolarHBondContact O-N 3.44Å; L182-G186 PolarHBondContact O-N 2.99Å; L182-H187 WeakPolarHBondContact CB-O 3.4Å; L182-H187 PolarHBondContact N-O 3.5Å; L182-L189 HydrophobicContact CD1-CB 4.28Å; L182-L189 HydrophobicContact CD2-CD2 4.26Å; L182-L189 HydrophobicContact CG-CB 4.42Å; L182-L209 HydrophobicContact CD1-CD2 4.27Å
183	E	94.5	Very high	97.4	Very high	121 Å²	121	34.5 Å²	34.5	57%	0.565	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.4	-175.4	-65.2	-73.6	170.4	0	0	112.6	K176 Y181 Q185	K176-E183 WeakPolarHBondContact CE-OE1 3.38Å; K176-E183 IonicContact NZ-OE1 2.72Å; K176-E183 PolarHBondContact NZ-OE1 2.98Å; K176-E183 IonicContact NZ-OE2 2.92Å; K176-E183 PolarHBondContact NZ-OE2 3.02Å; K176-E183 VanDerWaalsContact NZ-OE2 3.09Å; Y181-E183 HydrophobicContact CD1-CG 4.1Å; Y181-E183 HydrophobicContact CE1-CB 4.45Å; Y181-E183 HydrophobicContact CE1-CG 4.23Å; Y181-E183 VanDerWaalsContact CE1-OE2 3.29Å; Y181-E183 WeakPolarHBondContact CE1-OE2 3.13Å; E183-Q185 VanDerWaalsContact C-N 3.3Å; E183-Q185 PolarHBondContact O-N 3.04Å
184	D	93.1	Very high	97.4	Very high	126 Å²	126	29.9 Å²	29.9	67%	0.674	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.5	-179.1	-59.8	-27.8	0	0	0	113.9	L182	L182-D184 PolarHBondContact O-N 3.49Å
185	Q	91.3	Very high	97.4	Very high	83 Å²	83	29.3 Å²	29.3	39%	0.388	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-15	-173.4	-60.3	-174.3	27.7	0	0	113.6	L182 E183 H187	L182-Q185 HydrophobicContact CB-CB 4.08Å; L182-Q185 HydrophobicContact CB-CG 4.42Å; L182-Q185 PolarHBondContact O-N 3.44Å; E183-Q185 VanDerWaalsContact C-N 3.3Å; E183-Q185 PolarHBondContact O-N 3.04Å; Q185-H187 VanDerWaalsContact C-N 3.3Å; Q185-H187 PolarHBondContact O-CD2 3.08Å; Q185-H187 PolarHBondContact O-N 3.31Å; Q185-H187 PolarHBondContact OE1-CE1 2.79Å; Q185-H187 PolarHBondContact OE1-NE2 3.44Å
186	G	95.6	Very high	97.4	Very high	29 Å²	29	29.8 Å²	29.8	30%	0.299	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.9	177.1	0	0	0	0	0	115	Y181 L182	Y181-G186 WeakPolarHBondContact OH-CA 3.4Å; L182-G186 PolarHBondContact O-N 2.99Å
187	H	97.9	Very high	97.4	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.111	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-177.8	-179	64.8	69.4	0	0	0	111.9	L108 V140 L182 Q185	L108-H187 HydrophobicContact CD2-CB 3.99Å; L108-H187 HydrophobicContact CG-CB 4.07Å; V140-H187 HydrophobicContact CG2-CB 3.97Å; L182-H187 WeakPolarHBondContact CB-O 3.4Å; L182-H187 PolarHBondContact N-O 3.5Å; Q185-H187 VanDerWaalsContact C-N 3.3Å; Q185-H187 PolarHBondContact O-CD2 3.08Å; Q185-H187 PolarHBondContact O-N 3.31Å; Q185-H187 PolarHBondContact OE1-CE1 2.79Å; Q185-H187 PolarHBondContact OE1-NE2 3.44Å
188	T	98.1	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	157.8	-177.8	72	0	0	0	0	113.2	F105 Y106 P107 V140 S175 V180	F105-T188 HydrophobicContact CB-CG2 4.3Å; F105-T188 HydrophobicContact CD1-CG2 4.02Å; F105-T188 HydrophobicContact CG-CG2 4.5Å; Y106-T188 VanDerWaalsContact C-OG1 3.24Å; Y106-T188 PolarHBondContact O-OG1 2.76Å; P107-T188 WeakPolarHBondContact CA-O 3.3Å; P107-T188 WeakPolarHBondContact CG-O 3.3Å; V140-T188 HydrophobicContact CG1-CG2 4.3Å; S175-T188 WeakPolarHBondContact OG-CG2 3.23Å; V180-T188 HydrophobicContact CG2-CG2 4.03Å; V180-T188 CarbonylContact O-C 3.5Å; V180-T188 VanDerWaalsContact O-CA 3.24Å; V180-T188 WeakPolarHBondContact O-CA 3.5Å
189	L	96.8	Very high	97.4	Very high	27 Å²	27	35.2 Å²	35.2	14%	0.141	19%	0.188	C	C	.	.			trans	-81	178.9	155.8	61.5	74.7	0	0	0	111	V180 L182 G191 M206	V180-L189 HydrophobicContact CB-CD1 4.11Å; V180-L189 HydrophobicContact CB-CG 4.29Å; V180-L189 HydrophobicContact CG1-CD1 4.11Å; V180-L189 PolarHBondContact O-N 3.26Å; L182-L189 HydrophobicContact CD1-CB 4.28Å; L182-L189 HydrophobicContact CD2-CD2 4.26Å; L182-L189 HydrophobicContact CG-CB 4.42Å; L189-G191 PolarHBondContact O-N 3.4Å; L189-M206 HydrophobicContact CD1-CB 4.02Å; L189-M206 HydrophobicContact CD1-CE 3.67Å; L189-M206 HydrophobicContact CD1-CG 4.02Å; L189-M206 HydrophobicContact CD2-CE 3.55Å; L189-M206 HydrophobicContact CG-CE 4.13Å
190	R	98.6	Very high	97.4	Very high	11 Å²	11	37 Å²	37	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	76.7	-179.4	-64.4	-176.4	-168.2	-59.7	-23.9	112	P107 V113 C114 E117 N207 L209 V211	P107-R190 HydrophobicContact CG-CG 4.32Å; V113-R190 VanDerWaalsContact CG1-CZ 3.46Å; C114-R190 PolarHBondContact SG-NH1 3.5Å; E117-R190 IonicContact OE2-CZ 2.85Å; E117-R190 IonicContact OE2-NH1 2.81Å; E117-R190 PolarHBondContact OE2-NH1 3.36Å; R190-N207 HydrophobicContact CB-CB 3.93Å; R190-N207 PolarHBondContact N-O 3Å; R190-N207 PolarHBondContact O-N 3.03Å; R190-L209 VanDerWaalsContact CZ-O 3.26Å; R190-L209 PolarHBondContact NE-O 3.21Å; R190-L209 PolarHBondContact NH2-O 2.92Å; R190-V211 WeakPolarHBondContact CD-O 3.35Å
191	G	98.7	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.4	178	0	0	0	0	0	112.9	F104 F105 L189 T205 R213	F104-G191 CarbonylContact C-O 3.59Å; F104-G191 VanDerWaalsContact CA-O 3.31Å; F104-G191 WeakPolarHBondContact CA-O 3.2Å; F105-G191 PolarHBondContact N-O 3.16Å; L189-G191 PolarHBondContact O-N 3.4Å; G191-T205 CarbonylContact C-O 3.6Å; G191-T205 WeakPolarHBondContact CA-O 3.2Å; G191-R213 VanDerWaalsContact C-NH1 3.32Å; G191-R213 PolarHBondContact O-NH1 3.19Å
192	L	98.9	Very high	97.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.5	174.1	178.9	153.6	0	0	0	109.8	V102 F104 F121 I194 I204 T205 T218	V102-L192 HydrophobicContact CG1-CD1 3.93Å; V102-L192 HydrophobicContact CG1-CD2 4.32Å; V102-L192 HydrophobicContact CG1-CG 4.04Å; F104-L192 HydrophobicContact CB-CB 3.92Å; F104-L192 HydrophobicContact CB-CD1 4.11Å; F104-L192 HydrophobicContact CB-CG 3.96Å; F121-L192 HydrophobicContact CE2-CD1 4.38Å; F121-L192 HydrophobicContact CZ-CD1 3.87Å; L192-I194 HydrophobicContact CD2-CG1 3.99Å; L192-I204 CarbonylContact O-C 3.07Å; L192-I204 WeakPolarHBondContact O-CA 3.29Å; L192-T205 PolarHBondContact N-O 3.5Å; L192-T205 PolarHBondContact O-N 2.92Å; L192-T218 HydrophobicContact CD1-CG2 4.1Å; L192-T218 HydrophobicContact CD2-CG2 4.21Å
193	F	98.9	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.3	-175.3	-59.1	-93	0	0	0	109.7	A69 V102 F103 F105 Y178 V180 L201 Q203 I204	A69-F193 HydrophobicContact CB-CE1 4.06Å; V102-F193 WeakPolarHBondContact CA-O 3.27Å; F103-F193 PolarHBondContact N-O 3.31Å; F103-F193 WeakPolarHBondContact O-CB 3.23Å; F103-F193 PolarHBondContact O-N 2.6Å; F105-F193 HydrophobicContact CD2-CD2 4.12Å; F105-F193 AromaticContact CD2-CE2 3.71Å; F105-F193 HydrophobicContact CD2-CE2 3.71Å; F105-F193 AromaticContact CE2-CD2 3.94Å; F105-F193 HydrophobicContact CE2-CD2 3.94Å; F105-F193 AromaticContact CE2-CE2 3.6Å; F105-F193 HydrophobicContact CE2-CE2 3.6Å; Y178-F193 AromaticContact CD1-CD1 3.78Å; Y178-F193 HydrophobicContact CD1-CD1 3.78Å; Y178-F193 AromaticContact CD1-CD2 3.69Å; Y178-F193 HydrophobicContact CD1-CD2 3.69Å; Y178-F193 AromaticContact CD1-CE1 3.74Å; Y178-F193 HydrophobicContact CD1-CE1 3.74Å; Y178-F193 AromaticContact CD1-CE2 3.66Å; Y178-F193 HydrophobicContact CD1-CE2 3.66Å; Y178-F193 AromaticContact CD1-CG 3.78Å; Y178-F193 HydrophobicContact CD1-CG 3.78Å; Y178-F193 AromaticContact CD1-CZ 3.69Å; Y178-F193 HydrophobicContact CD1-CZ 3.69Å; Y178-F193 HydrophobicContact CE1-CB 4.45Å; Y178-F193 HydrophobicContact CE1-CD1 4.17Å; Y178-F193 HydrophobicContact CE1-CD2 4.21Å; Y178-F193 HydrophobicContact CE1-CG 4.01Å; Y178-F193 HydrophobicContact CG-CE2 4.33Å; Y178-F193 HydrophobicContact CG-CZ 4.3Å; V180-F193 HydrophobicContact CG1-CE2 3.84Å; V180-F193 HydrophobicContact CG1-CZ 3.7Å; F193-L201 HydrophobicContact CB-CD1 3.83Å; F193-L201 HydrophobicContact CD1-CD1 3.82Å; F193-L201 HydrophobicContact CD1-CD2 4.16Å; F193-L201 HydrophobicContact CG-CD1 4.32Å; F193-Q203 WeakPolarHBondContact CA-O 3.41Å; F193-I204 HydrophobicContact CD1-CB 4.44Å; F193-I204 HydrophobicContact CD1-CD1 4.4Å; F193-I204 HydrophobicContact CD1-CG1 3.81Å; F193-I204 HydrophobicContact CD1-CG2 4.25Å; F193-I204 HydrophobicContact CE1-CB 4.36Å; F193-I204 HydrophobicContact CE1-CD1 4.06Å; F193-I204 HydrophobicContact CE1-CG1 3.86Å; F193-I204 HydrophobicContact CE1-CG2 3.76Å; F193-I204 HydrophobicContact CZ-CG2 4.26Å
194	I	98.9	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.8	170.7	-55.8	176	0	0	0	108.2	Y100 L192 R202 Q203 T218 L221 V222	Y100-I194 HydrophobicContact CD1-CG2 3.97Å; Y100-I194 HydrophobicContact CE1-CG2 4.32Å; L192-I194 HydrophobicContact CD2-CG1 3.99Å; I194-R202 PolarHBondContact O-N 3.04Å; I194-Q203 HydrophobicContact CB-CB 4Å; I194-Q203 HydrophobicContact CD1-CB 4.09Å; I194-Q203 HydrophobicContact CD1-CG 4.37Å; I194-Q203 HydrophobicContact CG1-CB 4.19Å; I194-Q203 PolarHBondContact N-O 3.45Å; I194-Q203 VanDerWaalsContact N-O 3.08Å; I194-Q203 PolarHBondContact O-N 3.01Å; I194-T218 HydrophobicContact CD1-CG2 4.43Å; I194-L221 HydrophobicContact CD1-CB 3.61Å; I194-L221 HydrophobicContact CD1-CD1 4.3Å; I194-V222 HydrophobicContact CD1-CG2 4.13Å; I194-V222 HydrophobicContact CG2-CG2 4.07Å
195	I	98.9	Very high	98.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.6	-177.6	-55.9	167.7	0	0	0	107.9	A75 L93 Y100 L101 F103 I200 L201	A75-I195 HydrophobicContact CB-CD1 3.65Å; A75-I195 HydrophobicContact CB-CG1 3.9Å; A75-I195 HydrophobicContact CB-CG2 4.09Å; L93-I195 HydrophobicContact CD1-CD1 3.92Å; Y100-I195 CarbonylContact C-O 3.44Å; Y100-I195 WeakPolarHBondContact CA-O 3.39Å; Y100-I195 WeakPolarHBondContact CD1-O 3.4Å; L101-I195 HydrophobicContact CB-CB 4.34Å; L101-I195 HydrophobicContact CD2-CD1 4.25Å; L101-I195 PolarHBondContact N-O 3.39Å; L101-I195 PolarHBondContact O-N 3.08Å; F103-I195 HydrophobicContact CB-CD1 4.34Å; I195-I200 WeakPolarHBondContact CA-O 3.31Å; I195-L201 HydrophobicContact CG1-CD1 4.09Å
196	D	98.8	Very high	98.4	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.053	16%	0.16	C	C	.	.			trans	-81.7	173.5	-179.3	72.9	18.8	0	0	0	113.6	Y100 K198 G199 I200 R202	Y100-D196 HydrophobicContact CD1-CB 4.29Å; Y100-D196 HydrophobicContact CE1-CB 3.73Å; Y100-D196 HydrophobicContact CE2-CB 3.96Å; D196-K198 PolarHBondContact O-N 2.89Å; D196-K198 WeakPolarHBondContact OD1-CA 3.39Å; D196-K198 WeakPolarHBondContact OD1-CB 3.4Å; D196-K198 PolarHBondContact OD1-N 2.95Å; D196-G199 PolarHBondContact O-N 2.78Å; D196-G199 PolarHBondContact OD1-N 3.34Å; D196-G199 VanDerWaalsContact OD1-N 3.15Å; D196-I200 PolarHBondContact N-O 2.87Å; D196-I200 PolarHBondContact OD1-N 2.76Å; D196-I200 WeakPolarHBondContact OD2-CB 3.28Å; D196-R202 HydrophobicContact CB-CG 3.87Å; D196-R202 WeakPolarHBondContact OD2-CD 3.29Å; D196-R202 IonicContact OD2-CZ 3.69Å; D196-R202 IonicContact OD2-NE 2.71Å; D196-R202 IonicContact OD2-NH1 3.09Å; D196-R202 PolarHBondContact OD2-NH1 3.45Å
197	G	98.1	Very high	98.5	Very high	22 Å²	22	30.1 Å²	30.1	23%	0.227	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-11	178.6	0	0	0	0	0	115.7	G98 K99	G98-G197 WeakPolarHBondContact CA-O 3.43Å; G98-G197 PolarHBondContact N-O 2.97Å; K99-G197 VanDerWaalsContact O-CA 3.28Å; K99-G197 WeakPolarHBondContact O-CA 3.48Å
198	K	98.3	Very high	98.3	Very high	171 Å²	171	33.8 Å²	33.8	74%	0.743	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	0.1	174.2	-60	172.4	-175.3	167.9	0	112	D196 I200	D196-K198 PolarHBondContact O-N 2.89Å; D196-K198 WeakPolarHBondContact OD1-CA 3.39Å; D196-K198 WeakPolarHBondContact OD1-CB 3.4Å; D196-K198 PolarHBondContact OD1-N 2.95Å; K198-I200 HydrophobicContact CB-CG1 4.18Å
199	G	98.4	Very high	98	Very high	24 Å²	24	34.5 Å²	34.5	25%	0.247	18%	0.181	C	C	.	.	S	Bend	trans	79.4	17.2	-176.2	0	0	0	0	0	113.7	P74 A75 D196	P74-G199 WeakPolarHBondContact CA-O 3.41Å; A75-G199 PolarHBondContact N-O 3.46Å; D196-G199 PolarHBondContact O-N 2.78Å; D196-G199 PolarHBondContact OD1-N 3.34Å; D196-G199 VanDerWaalsContact OD1-N 3.15Å
200	I	98.8	Very high	97.7	Very high	41 Å²	41	36 Å²	36	21%	0.21	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-90.5	132.2	179.2	-54.8	-58.1	0	0	0	109.7	P74 I195 D196 K198 R202	P74-I200 HydrophobicContact CB-CD1 4.47Å; P74-I200 HydrophobicContact CG-CD1 4Å; I195-I200 WeakPolarHBondContact CA-O 3.31Å; D196-I200 PolarHBondContact N-O 2.87Å; D196-I200 PolarHBondContact OD1-N 2.76Å; D196-I200 WeakPolarHBondContact OD2-CB 3.28Å; K198-I200 HydrophobicContact CB-CG1 4.18Å; I200-R202 WeakPolarHBondContact O-CG 3.43Å; I200-R202 PolarHBondContact O-N 2.78Å
201	L	98.9	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.7	176.4	-179.1	61	0	0	0	110.5	A69 I71 S72 K73 A75 F193 I195 Q203 I204	A69-L201 HydrophobicContact CB-CD2 3.87Å; I71-L201 CarbonylContact C-O 3.47Å; I71-L201 WeakPolarHBondContact CA-O 3.48Å; I71-L201 HydrophobicContact CG1-CG 4.47Å; S72-L201 PolarHBondContact N-O 2.97Å; K73-L201 PolarHBondContact O-N 3.46Å; A75-L201 HydrophobicContact CB-CB 4.27Å; F193-L201 HydrophobicContact CB-CD1 3.83Å; F193-L201 HydrophobicContact CD1-CD1 3.82Å; F193-L201 HydrophobicContact CD1-CD2 4.16Å; F193-L201 HydrophobicContact CG-CD1 4.32Å; I195-L201 HydrophobicContact CG1-CD1 4.09Å; L201-Q203 WeakPolarHBondContact CD1-O 3.29Å; L201-I204 HydrophobicContact CD1-CG1 4.44Å; L201-I204 HydrophobicContact CD2-CD1 3.85Å; L201-I204 HydrophobicContact CD2-CG1 3.95Å; L201-I204 HydrophobicContact CG-CG1 4.38Å
202	R	98.8	Very high	97.3	Very high	49 Å²	49	41.1 Å²	41.1	19%	0.185	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-31.2	-174.5	-51.5	-55.8	-71.8	-86.9	-7.9	113.3	I194 D196 I200 F225 D229	I194-R202 PolarHBondContact O-N 3.04Å; D196-R202 HydrophobicContact CB-CG 3.87Å; D196-R202 WeakPolarHBondContact OD2-CD 3.29Å; D196-R202 IonicContact OD2-CZ 3.69Å; D196-R202 IonicContact OD2-NE 2.71Å; D196-R202 IonicContact OD2-NH1 3.09Å; D196-R202 PolarHBondContact OD2-NH1 3.45Å; I200-R202 WeakPolarHBondContact O-CG 3.43Å; I200-R202 PolarHBondContact O-N 2.78Å; R202-F225 HydrophobicContact CB-CD1 4.17Å; R202-F225 HydrophobicContact CB-CD2 4.13Å; R202-F225 HydrophobicContact CB-CE1 3.99Å; R202-F225 HydrophobicContact CB-CE2 3.97Å; R202-F225 HydrophobicContact CB-CG 4.24Å; R202-F225 HydrophobicContact CB-CZ 3.89Å; R202-F225 WeakPolarHBondContact O-CZ 3.41Å; R202-D229 IonicContact CZ-OD1 3.43Å; R202-D229 IonicContact CZ-OD2 2.76Å; R202-D229 IonicContact NH1-OD1 3.58Å; R202-D229 PolarHBondContact NH1-OD1 2.9Å; R202-D229 VanDerWaalsContact NH1-OD1 3.15Å; R202-D229 IonicContact NH1-OD2 2.68Å; R202-D229 PolarHBondContact NH1-OD2 2.88Å; R202-D229 IonicContact NH2-OD1 2.76Å; R202-D229 PolarHBondContact NH2-OD1 3.09Å; R202-D229 IonicContact NH2-OD2 2.8Å
203	Q	98.9	Very high	97.3	Very high	28 Å²	28	42.5 Å²	42.5	13%	0.131	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	146.3	-172.7	-165.3	-82.3	-31.6	0	0	111.4	F193 I194 L201 T205 L221 F225	F193-Q203 WeakPolarHBondContact CA-O 3.41Å; I194-Q203 HydrophobicContact CB-CB 4Å; I194-Q203 HydrophobicContact CD1-CB 4.09Å; I194-Q203 HydrophobicContact CD1-CG 4.37Å; I194-Q203 HydrophobicContact CG1-CB 4.19Å; I194-Q203 PolarHBondContact N-O 3.45Å; I194-Q203 VanDerWaalsContact N-O 3.08Å; I194-Q203 PolarHBondContact O-N 3.01Å; L201-Q203 WeakPolarHBondContact CD1-O 3.29Å; Q203-T205 PolarHBondContact NE2-OG1 2.92Å; Q203-T205 PolarHBondContact OE1-OG1 2.85Å; Q203-L221 HydrophobicContact CG-CD1 4.16Å; Q203-F225 HydrophobicContact CB-CE2 3.8Å; Q203-F225 HydrophobicContact CB-CZ 4.17Å; Q203-F225 HydrophobicContact CG-CE2 4.34Å
204	I	98.9	Very high	97.3	Very high	54 Å²	54	45.2 Å²	45.2	28%	0.277	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.9	175	-54.7	177	0	0	0	108.4	I71 L192 F193 L201 M206	I71-I204 HydrophobicContact CD1-CD1 4.37Å; I71-I204 HydrophobicContact CD1-CG1 4.16Å; I71-I204 HydrophobicContact CG1-CD1 3.99Å; I71-I204 HydrophobicContact CG1-CG1 3.96Å; L192-I204 CarbonylContact O-C 3.07Å; L192-I204 WeakPolarHBondContact O-CA 3.29Å; F193-I204 HydrophobicContact CD1-CB 4.44Å; F193-I204 HydrophobicContact CD1-CD1 4.4Å; F193-I204 HydrophobicContact CD1-CG1 3.81Å; F193-I204 HydrophobicContact CD1-CG2 4.25Å; F193-I204 HydrophobicContact CE1-CB 4.36Å; F193-I204 HydrophobicContact CE1-CD1 4.06Å; F193-I204 HydrophobicContact CE1-CG1 3.86Å; F193-I204 HydrophobicContact CE1-CG2 3.76Å; F193-I204 HydrophobicContact CZ-CG2 4.26Å; L201-I204 HydrophobicContact CD1-CG1 4.44Å; L201-I204 HydrophobicContact CD2-CD1 3.85Å; L201-I204 HydrophobicContact CD2-CG1 3.95Å; L201-I204 HydrophobicContact CG-CG1 4.38Å; I204-M206 HydrophobicContact CG2-CG 3.94Å; I204-M206 HydrophobicContact CG2-SD 4.13Å
205	T	98.8	Very high	97.3	Very high	41 Å²	41	45.7 Å²	45.7	25%	0.252	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.8	166.6	-60.2	0	0	0	0	108.4	G191 L192 Q203 N207	G191-T205 CarbonylContact C-O 3.6Å; G191-T205 WeakPolarHBondContact CA-O 3.2Å; L192-T205 PolarHBondContact N-O 3.5Å; L192-T205 PolarHBondContact O-N 2.92Å; Q203-T205 PolarHBondContact NE2-OG1 2.92Å; Q203-T205 PolarHBondContact OE1-OG1 2.85Å; T205-N207 WeakPolarHBondContact CG2-OD1 3.41Å
206	M	98.4	Very high	97.3	Very high	86 Å²	86	50.3 Å²	50.3	42%	0.424	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.8	174.3	-68	171.3	77.1	0	0	108.7	V180 L189 I204	V180-M206 HydrophobicContact CG1-CE 4.33Å; L189-M206 HydrophobicContact CD1-CB 4.02Å; L189-M206 HydrophobicContact CD1-CE 3.67Å; L189-M206 HydrophobicContact CD1-CG 4.02Å; L189-M206 HydrophobicContact CD2-CE 3.55Å; L189-M206 HydrophobicContact CG-CE 4.13Å; I204-M206 HydrophobicContact CG2-CG 3.94Å; I204-M206 HydrophobicContact CG2-SD 4.13Å
207	N	97.7	Very high	97.3	Very high	41 Å²	41	53.7 Å²	53.7	22%	0.219	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.3	172.6	-70.8	25.5	0	0	0	109.8	R190 T205 V211 G212	R190-N207 HydrophobicContact CB-CB 3.93Å; R190-N207 PolarHBondContact N-O 3Å; R190-N207 PolarHBondContact O-N 3.03Å; T205-N207 WeakPolarHBondContact CG2-OD1 3.41Å; N207-V211 WeakPolarHBondContact CB-O 3.35Å; N207-V211 PolarHBondContact ND2-O 3.27Å; N207-G212 PolarHBondContact ND2-O 2.94Å
208	D	94.3	Very high	97.3	Very high	100 Å²	100	52.9 Å²	52.9	54%	0.535	29%	0.288	S	S	.	.			trans	-64.2	162.5	162.7	-169.2	17.1	0	0	0	110.5	V211	D208-V211 PolarHBondContact O-N 3.39Å
209	L	90.1	Very high	97.3	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.084	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.4	-173.9	-54.9	-179.9	0	0	0	115.6	P107 L182 R190 V211	P107-L209 HydrophobicContact CB-CD2 4.39Å; P107-L209 HydrophobicContact CG-CD2 3.74Å; L182-L209 HydrophobicContact CD1-CD2 4.27Å; R190-L209 VanDerWaalsContact CZ-O 3.26Å; R190-L209 PolarHBondContact NE-O 3.21Å; R190-L209 PolarHBondContact NH2-O 2.92Å; L209-V211 PolarHBondContact O-N 2.96Å
210	P	91.3	Very high	97.4	Very high	58 Å²	58	46.2 Å²	46.2	38%	0.377	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.3	-170.7	32	-36.4	0	0	0	114.8	Y50	Y50-P210 HydrophobicContact CD1-CB 4.05Å; Y50-P210 HydrophobicContact CE1-CB 3.68Å
211	V	94.5	Very high	97.4	Very high	86 Å²	86	45.5 Å²	45.5	52%	0.521	25%	0.249	S	C	.	.			trans	-117.1	113.5	-171.7	-176.6	0	0	0	0	111.5	R190 N207 D208 L209	R190-V211 WeakPolarHBondContact CD-O 3.35Å; N207-V211 WeakPolarHBondContact CB-O 3.35Å; N207-V211 PolarHBondContact ND2-O 3.27Å; D208-V211 PolarHBondContact O-N 3.39Å; L209-V211 PolarHBondContact O-N 2.96Å
212	G	95.1	Very high	97.4	Very high	32 Å²	32	45.5 Å²	45.5	33%	0.33	25%	0.249	S	C	.	.			trans	-67.9	158.4	174.8	0	0	0	0	0	113.9	E117 N207	E117-G212 WeakPolarHBondContact OE1-CA 3.49Å; N207-G212 PolarHBondContact ND2-O 2.94Å
213	R	98.6	Very high	97.4	Very high	31 Å²	31	45.8 Å²	45.8	12%	0.117	25%	0.252	C	S	.	.			trans	-86.8	167.8	178.2	-69	161.1	-71.7	-161.4	-5.9	112.1	F105 E117 G191	F105-R213 VanDerWaalsContact O-CZ 3.3Å; F105-R213 PolarHBondContact O-NH1 3.4Å; F105-R213 PolarHBondContact O-NH2 2.86Å; E117-R213 VanDerWaalsContact CD-NH2 3.3Å; E117-R213 WeakPolarHBondContact OE1-CB 3.41Å; E117-R213 IonicContact OE1-CZ 3.92Å; E117-R213 PolarHBondContact OE1-N 2.88Å; E117-R213 IonicContact OE1-NE 3.82Å; E117-R213 PolarHBondContact OE1-NE 3.33Å; E117-R213 IonicContact OE1-NH2 2.76Å; E117-R213 PolarHBondContact OE1-NH2 3.48Å; E117-R213 IonicContact OE2-CZ 3.85Å; E117-R213 IonicContact OE2-NE 3.69Å; E117-R213 IonicContact OE2-NH2 3.9Å; E117-R213 PolarHBondContact OE2-NH2 3.34Å; G191-R213 VanDerWaalsContact C-NH1 3.32Å; G191-R213 PolarHBondContact O-NH1 3.19Å
214	S	98.6	Very high	97.4	Very high	57 Å²	57	45 Å²	45	40%	0.399	25%	0.25	S	S	.	.			trans	-108.9	120.8	178.7	174.7	0	0	0	0	111.8	D216 E217 T218	S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 PolarHBondContact O-N 2.85Å; S214-D216 PolarHBondContact OG-N 2.89Å; S214-E217 PolarHBondContact O-N 3.15Å; S214-E217 PolarHBondContact OG-N 2.86Å; S214-T218 PolarHBondContact O-N 2.86Å; S214-T218 PolarHBondContact O-OG1 2.97Å; S214-T218 VanDerWaalsContact O-OG1 3.12Å
215	V	98.8	Very high	97.4	Very high	10 Å²	10	44.6 Å²	44.6	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-35.6	173.9	178.7	0	0	0	0	111.2	A120 F121 R124 F128 T218 L219	A120-V215 HydrophobicContact CB-CG2 3.77Å; F121-V215 HydrophobicContact CD1-CG1 4.21Å; F121-V215 HydrophobicContact CD1-CG2 4.08Å; F121-V215 HydrophobicContact CD2-CG2 4.02Å; F121-V215 HydrophobicContact CE1-CB 4.4Å; F121-V215 HydrophobicContact CE1-CG1 4.16Å; F121-V215 HydrophobicContact CE1-CG2 4.03Å; F121-V215 HydrophobicContact CE2-CG2 3.97Å; F121-V215 HydrophobicContact CG-CG2 4.06Å; F121-V215 HydrophobicContact CZ-CG2 3.97Å; R124-V215 HydrophobicContact CB-CG1 4.38Å; F128-V215 HydrophobicContact CE2-CG1 3.8Å; F128-V215 HydrophobicContact CZ-CG1 3.95Å; V215-T218 PolarHBondContact O-N 3.16Å; V215-L219 WeakPolarHBondContact O-CB 3.35Å; V215-L219 PolarHBondContact O-N 2.99Å
216	D	98.8	Very high	97.4	Very high	99 Å²	99	44.9 Å²	44.9	53%	0.529	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-41.8	179.7	-66	-49.2	0	0	0	112.2	R124 S214 L219 R220	R124-D216 IonicContact CZ-OD1 3.34Å; R124-D216 VanDerWaalsContact CZ-OD1 3.27Å; R124-D216 IonicContact NH1-OD1 2.88Å; R124-D216 PolarHBondContact NH1-OD1 2.76Å; R124-D216 IonicContact NH1-OD2 2.83Å; R124-D216 IonicContact NH2-OD1 3.94Å; R124-D216 PolarHBondContact NH2-OD1 2.9Å; S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 PolarHBondContact O-N 2.85Å; S214-D216 PolarHBondContact OG-N 2.89Å; D216-L219 PolarHBondContact O-N 3.31Å; D216-R220 WeakPolarHBondContact O-CB 3.5Å; D216-R220 PolarHBondContact O-N 3.46Å
217	E	98.9	Very high	97.4	Very high	81 Å²	81	43.9 Å²	43.9	38%	0.379	24%	0.237	S	C	.	.	H	α-helix	trans	-69.7	-39.6	177.6	179.6	56.6	-165.7	0	0	111.2	S214 L219 R220 L221	S214-E217 PolarHBondContact O-N 3.15Å; S214-E217 PolarHBondContact OG-N 2.86Å; E217-L219 PolarHBondContact O-N 3.37Å; E217-R220 PolarHBondContact O-N 2.92Å; E217-R220 IonicContact OE1-CZ 3.52Å; E217-R220 IonicContact OE1-NE 3.43Å; E217-R220 PolarHBondContact OE1-NE 3.15Å; E217-R220 IonicContact OE1-NH2 3.27Å; E217-R220 PolarHBondContact OE1-NH2 2.94Å; E217-R220 IonicContact OE2-CZ 2.72Å; E217-R220 IonicContact OE2-NE 2.79Å; E217-R220 PolarHBondContact OE2-NE 2.93Å; E217-R220 IonicContact OE2-NH2 3.68Å; E217-L221 HydrophobicContact CG-CD1 4.06Å; E217-L221 HydrophobicContact CG-CG 4.5Å; E217-L221 WeakPolarHBondContact O-CB 3.43Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.47Å; E217-L221 PolarHBondContact O-N 3.42Å
218	T	98.9	Very high	97.4	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-46.2	173.8	-55.7	0	0	0	0	111.3	V102 F121 F128 L192 I194 S214 V215 R220 L221 V222	V102-T218 HydrophobicContact CB-CG2 4.48Å; V102-T218 HydrophobicContact CG1-CG2 3.81Å; V102-T218 HydrophobicContact CG2-CG2 3.78Å; F121-T218 HydrophobicContact CE1-CG2 4.06Å; F121-T218 HydrophobicContact CZ-CG2 4.24Å; F128-T218 HydrophobicContact CE1-CG2 4.05Å; F128-T218 HydrophobicContact CZ-CG2 4.33Å; L192-T218 HydrophobicContact CD1-CG2 4.1Å; L192-T218 HydrophobicContact CD2-CG2 4.21Å; I194-T218 HydrophobicContact CD1-CG2 4.43Å; S214-T218 PolarHBondContact O-N 2.86Å; S214-T218 PolarHBondContact O-OG1 2.97Å; S214-T218 VanDerWaalsContact O-OG1 3.12Å; V215-T218 PolarHBondContact O-N 3.16Å; T218-R220 PolarHBondContact O-N 3.01Å; T218-L221 PolarHBondContact O-N 2.92Å; T218-V222 WeakPolarHBondContact O-CG2 3.46Å; T218-V222 PolarHBondContact O-N 3.35Å
219	L	98.9	Very high	97.5	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.084	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-44.5	177.6	-175.9	63.1	0	0	0	111.7	E127 F128 I131 V215 D216 E217 L221 V222 Q223	E127-L219 HydrophobicContact CB-CD1 4.49Å; E127-L219 HydrophobicContact CB-CD2 4.26Å; E127-L219 VanDerWaalsContact OE2-CD2 3.27Å; E127-L219 WeakPolarHBondContact OE2-CD2 3.29Å; F128-L219 HydrophobicContact CD1-CD1 4.13Å; F128-L219 HydrophobicContact CE1-CB 4.19Å; F128-L219 HydrophobicContact CE1-CD1 4.02Å; F128-L219 HydrophobicContact CG-CD1 4.47Å; F128-L219 HydrophobicContact CZ-CB 4.02Å; F128-L219 HydrophobicContact CZ-CD1 4.28Å; I131-L219 HydrophobicContact CD1-CD1 3.8Å; V215-L219 WeakPolarHBondContact O-CB 3.35Å; V215-L219 PolarHBondContact O-N 2.99Å; D216-L219 PolarHBondContact O-N 3.31Å; E217-L219 PolarHBondContact O-N 3.37Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.22Å; L219-V222 PolarHBondContact O-N 3.44Å; L219-Q223 VanDerWaalsContact O-CG 3.31Å; L219-Q223 WeakPolarHBondContact O-CG 3.34Å; L219-Q223 PolarHBondContact O-N 2.9Å
220	R	98.9	Very high	97.9	Very high	39 Å²	39	49.7 Å²	49.7	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-43.6	176.6	-169.4	-163.9	72.4	72	4.4	111.8	D216 E217 T218 Q223 A224 W239 K240	D216-R220 WeakPolarHBondContact O-CB 3.5Å; D216-R220 PolarHBondContact O-N 3.46Å; E217-R220 PolarHBondContact O-N 2.92Å; E217-R220 IonicContact OE1-CZ 3.52Å; E217-R220 IonicContact OE1-NE 3.43Å; E217-R220 PolarHBondContact OE1-NE 3.15Å; E217-R220 IonicContact OE1-NH2 3.27Å; E217-R220 PolarHBondContact OE1-NH2 2.94Å; E217-R220 IonicContact OE2-CZ 2.72Å; E217-R220 IonicContact OE2-NE 2.79Å; E217-R220 PolarHBondContact OE2-NE 2.93Å; E217-R220 IonicContact OE2-NH2 3.68Å; T218-R220 PolarHBondContact O-N 3.01Å; R220-Q223 PolarHBondContact O-N 2.68Å; R220-A224 WeakPolarHBondContact O-CB 3.33Å; R220-A224 PolarHBondContact O-N 3.34Å; R220-W239 VanDerWaalsContact CD-O 3.23Å; R220-W239 WeakPolarHBondContact CD-O 3.12Å; R220-W239 VanDerWaalsContact CG-O 3.28Å; R220-W239 WeakPolarHBondContact CG-O 3.24Å; R220-W239 PolarHBondContact NH1-O 2.9Å; R220-K240 HydrophobicContact CG-CG 4.22Å
221	L	98.9	Very high	98.2	Very high	26 Å²	26	51.5 Å²	51.5	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-43.5	179	-72.9	167.2	0	0	0	112	I194 Q203 E217 T218 L219 Q223 A224 F225	I194-L221 HydrophobicContact CD1-CB 3.61Å; I194-L221 HydrophobicContact CD1-CD1 4.3Å; Q203-L221 HydrophobicContact CG-CD1 4.16Å; E217-L221 HydrophobicContact CG-CD1 4.06Å; E217-L221 HydrophobicContact CG-CG 4.5Å; E217-L221 WeakPolarHBondContact O-CB 3.43Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.47Å; E217-L221 PolarHBondContact O-N 3.42Å; T218-L221 PolarHBondContact O-N 2.92Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.22Å; L221-Q223 PolarHBondContact O-N 3.19Å; L221-A224 PolarHBondContact O-N 3.43Å; L221-F225 WeakPolarHBondContact O-CD2 3.44Å; L221-F225 PolarHBondContact O-N 3.28Å
222	V	98.9	Very high	98.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-49.1	174.6	173.3	0	0	0	0	110.4	Y100 V102 F128 I131 T133 I194 T218 L219 A224 F225 Q226	Y100-V222 HydrophobicContact CD1-CG1 4.45Å; V102-V222 HydrophobicContact CG2-CG2 3.99Å; F128-V222 HydrophobicContact CE1-CG2 4.45Å; I131-V222 HydrophobicContact CD1-CB 4.36Å; I131-V222 HydrophobicContact CD1-CG1 3.65Å; I131-V222 HydrophobicContact CG1-CG1 4.42Å; T133-V222 HydrophobicContact CG2-CG1 4.1Å; T133-V222 HydrophobicContact CG2-CG2 4.33Å; T133-V222 VanDerWaalsContact OG1-CG1 3.3Å; T133-V222 WeakPolarHBondContact OG1-CG1 2.98Å; I194-V222 HydrophobicContact CD1-CG2 4.13Å; I194-V222 HydrophobicContact CG2-CG2 4.07Å; T218-V222 WeakPolarHBondContact O-CG2 3.46Å; T218-V222 PolarHBondContact O-N 3.35Å; L219-V222 PolarHBondContact O-N 3.44Å; V222-A224 VanDerWaalsContact C-N 3.31Å; V222-A224 PolarHBondContact O-N 2.78Å; V222-F225 PolarHBondContact O-N 2.76Å; V222-Q226 WeakPolarHBondContact O-CG 3.48Å; V222-Q226 PolarHBondContact O-N 2.8Å
223	Q	98.9	Very high	98.2	Very high	54 Å²	54	50.9 Å²	50.9	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-41	177.9	-70.5	170	-16.2	0	0	112.1	I131 L219 R220 L221 Q226 Y227 W239 P241	I131-Q223 HydrophobicContact CD1-CG 3.85Å; L219-Q223 VanDerWaalsContact O-CG 3.31Å; L219-Q223 WeakPolarHBondContact O-CG 3.34Å; L219-Q223 PolarHBondContact O-N 2.9Å; R220-Q223 PolarHBondContact O-N 2.68Å; L221-Q223 PolarHBondContact O-N 3.19Å; Q223-Q226 PolarHBondContact O-N 3.42Å; Q223-Y227 WeakPolarHBondContact O-CB 3.46Å; Q223-Y227 PolarHBondContact O-N 2.81Å; Q223-W239 HydrophobicContact CB-CZ3 4.28Å; Q223-P241 HydrophobicContact CB-CG 4.31Å; Q223-P241 HydrophobicContact CG-CG 4.46Å
224	A	98.8	Very high	98	Very high	12 Å²	12	52.5 Å²	52.5	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-48.1	178.3	0	0	0	0	0	111.7	R220 L221 V222 Q226 Y227 T228 C235 W239	R220-A224 WeakPolarHBondContact O-CB 3.33Å; R220-A224 PolarHBondContact O-N 3.34Å; L221-A224 PolarHBondContact O-N 3.43Å; V222-A224 VanDerWaalsContact C-N 3.31Å; V222-A224 PolarHBondContact O-N 2.78Å; A224-Q226 PolarHBondContact O-N 3.38Å; A224-Y227 WeakPolarHBondContact O-CB 3.46Å; A224-Y227 PolarHBondContact O-N 2.85Å; A224-T228 WeakPolarHBondContact O-CG2 3.46Å; A224-T228 PolarHBondContact O-N 2.71Å; A224-T228 PolarHBondContact O-OG1 3.02Å; A224-C235 HydrophobicContact CB-CB 4.44Å; A224-W239 VanDerWaalsContact CA-CZ3 3.42Å; A224-W239 HydrophobicContact CB-CE3 3.71Å; A224-W239 HydrophobicContact CB-CZ3 3.8Å
225	F	98.8	Very high	98	Very high	46 Å²	46	51.4 Å²	51.4	20%	0.202	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-41.7	178.1	-75.9	-62.3	0	0	0	112.4	Y100 R202 Q203 L221 V222 Y227 T228 D229	Y100-F225 HydrophobicContact CE1-CB 3.97Å; R202-F225 HydrophobicContact CB-CD1 4.17Å; R202-F225 HydrophobicContact CB-CD2 4.13Å; R202-F225 HydrophobicContact CB-CE1 3.99Å; R202-F225 HydrophobicContact CB-CE2 3.97Å; R202-F225 HydrophobicContact CB-CG 4.24Å; R202-F225 HydrophobicContact CB-CZ 3.89Å; R202-F225 WeakPolarHBondContact O-CZ 3.41Å; Q203-F225 HydrophobicContact CB-CE2 3.8Å; Q203-F225 HydrophobicContact CB-CZ 4.17Å; Q203-F225 HydrophobicContact CG-CE2 4.34Å; L221-F225 WeakPolarHBondContact O-CD2 3.44Å; L221-F225 PolarHBondContact O-N 3.28Å; V222-F225 PolarHBondContact O-N 2.76Å; F225-Y227 VanDerWaalsContact C-N 3.31Å; F225-Y227 PolarHBondContact O-N 3.18Å; F225-T228 PolarHBondContact O-N 3.48Å; F225-T228 PolarHBondContact O-OG1 2.94Å; F225-D229 WeakPolarHBondContact O-CB 3.17Å; F225-D229 VanDerWaalsContact O-CG 3.3Å; F225-D229 PolarHBondContact O-N 3.21Å
226	Q	98.8	Very high	98	Very high	47 Å²	47	52.2 Å²	52.2	22%	0.22	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-38.2	176	-72.1	-175.8	-5.6	0	0	112.3	Y100 I131 T133 V222 Q223 A224 K230	Y100-Q226 HydrophobicContact CD2-CG 3.98Å; Y100-Q226 HydrophobicContact CE2-CG 3.65Å; I131-Q226 PolarHBondContact O-NE2 3.16Å; I131-Q226 PolarHBondContact O-OE1 2.66Å; T133-Q226 PolarHBondContact OG1-NE2 3.28Å; V222-Q226 WeakPolarHBondContact O-CG 3.48Å; V222-Q226 PolarHBondContact O-N 2.8Å; Q223-Q226 PolarHBondContact O-N 3.42Å; A224-Q226 PolarHBondContact O-N 3.38Å; Q226-K230 WeakPolarHBondContact O-CB 3.19Å; Q226-K230 PolarHBondContact O-N 3.28Å; Q226-K230 VanDerWaalsContact O-N 3.16Å
227	Y	98.6	Very high	97.9	Very high	65 Å²	65	52.5 Å²	52.5	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-51.3	174.1	-173.3	-80.9	0	0	0	110.9	Q223 A224 F225 D229 K230 H231 E233 W239 T245	Q223-Y227 WeakPolarHBondContact O-CB 3.46Å; Q223-Y227 PolarHBondContact O-N 2.81Å; A224-Y227 WeakPolarHBondContact O-CB 3.46Å; A224-Y227 PolarHBondContact O-N 2.85Å; F225-Y227 VanDerWaalsContact C-N 3.31Å; F225-Y227 PolarHBondContact O-N 3.18Å; Y227-D229 VanDerWaalsContact C-N 3.31Å; Y227-D229 PolarHBondContact O-N 3.3Å; Y227-K230 PolarHBondContact O-N 2.78Å; Y227-H231 HydrophobicContact CD1-CB 4.25Å; Y227-H231 AromaticContact CD2-CD2 3.63Å; Y227-H231 HydrophobicContact CE1-CB 3.83Å; Y227-H231 AromaticContact CE1-CD2 3.99Å; Y227-H231 AromaticContact CE2-CD2 3.58Å; Y227-H231 AromaticContact CE2-NE2 3.93Å; Y227-H231 AromaticContact CG-CD2 3.88Å; Y227-H231 AromaticContact CZ-CD2 3.77Å; Y227-H231 AromaticContact CZ-CG 3.91Å; Y227-H231 WeakPolarHBondContact O-CB 3.4Å; Y227-H231 PolarHBondContact O-CD2 2.9Å; Y227-H231 PolarHBondContact O-N 3.2Å; Y227-E233 HydrophobicContact CE1-CB 4.29Å; Y227-E233 PolarHBondContact OH-OE2 3.4Å; Y227-W239 HydrophobicContact CD1-CZ2 4.38Å; Y227-W239 HydrophobicContact CD2-CH2 4.19Å; Y227-W239 AromaticContact CD2-CZ2 3.81Å; Y227-W239 HydrophobicContact CD2-CZ2 3.81Å; Y227-W239 HydrophobicContact CE2-CZ2 4.36Å; Y227-W239 HydrophobicContact CG-CH2 4.08Å; Y227-W239 AromaticContact CG-CZ2 3.82Å; Y227-W239 HydrophobicContact CG-CZ2 3.82Å; Y227-T245 HydrophobicContact CD1-CG2 4.28Å; Y227-T245 HydrophobicContact CE1-CG2 3.6Å
228	T	97.8	Very high	97.8	Very high	34 Å²	34	51.5 Å²	51.5	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-37.6	-179.4	59.2	0	0	0	0	112.4	A224 F225 K230 G232 E233	A224-T228 WeakPolarHBondContact O-CG2 3.46Å; A224-T228 PolarHBondContact O-N 2.71Å; A224-T228 PolarHBondContact O-OG1 3.02Å; F225-T228 PolarHBondContact O-N 3.48Å; F225-T228 PolarHBondContact O-OG1 2.94Å; T228-K230 VanDerWaalsContact C-N 3.28Å; T228-K230 PolarHBondContact O-N 3.33Å; T228-G232 PolarHBondContact O-N 2.55Å; T228-E233 WeakPolarHBondContact CG2-O 3.42Å
229	D	97.4	Very high	97.8	Very high	76 Å²	76	51.7 Å²	51.7	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-30.9	179.1	-79.4	16.8	0	0	0	112.2	Y100 R202 F225 Y227	Y100-D229 PolarHBondContact OH-OD2 2.85Å; R202-D229 IonicContact CZ-OD1 3.43Å; R202-D229 IonicContact CZ-OD2 2.76Å; R202-D229 IonicContact NH1-OD1 3.58Å; R202-D229 PolarHBondContact NH1-OD1 2.9Å; R202-D229 VanDerWaalsContact NH1-OD1 3.15Å; R202-D229 IonicContact NH1-OD2 2.68Å; R202-D229 PolarHBondContact NH1-OD2 2.88Å; R202-D229 IonicContact NH2-OD1 2.76Å; R202-D229 PolarHBondContact NH2-OD1 3.09Å; R202-D229 IonicContact NH2-OD2 2.8Å; F225-D229 WeakPolarHBondContact O-CB 3.17Å; F225-D229 VanDerWaalsContact O-CG 3.3Å; F225-D229 PolarHBondContact O-N 3.21Å; Y227-D229 VanDerWaalsContact C-N 3.31Å; Y227-D229 PolarHBondContact O-N 3.3Å
230	K	97.9	Very high	97.7	Very high	168 Å²	168	57.3 Å²	57.3	73%	0.73	32%	0.324	S	S	*	.	H	α-helix	trans	-87.3	-39.8	-179.9	-176.3	177.8	177.5	-175.2	0	113.3	Q226 Y227 T228	Q226-K230 WeakPolarHBondContact O-CB 3.19Å; Q226-K230 PolarHBondContact O-N 3.28Å; Q226-K230 VanDerWaalsContact O-N 3.16Å; Y227-K230 PolarHBondContact O-N 2.78Å; T228-K230 VanDerWaalsContact C-N 3.28Å; T228-K230 PolarHBondContact O-N 3.33Å
231	H	97.3	Very high	97.7	Very high	96 Å²	96	59.2 Å²	59.2	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-103.8	-20.7	-168	-67.4	-78.9	0	0	0	114.1	Y227 E233	Y227-H231 HydrophobicContact CD1-CB 4.25Å; Y227-H231 AromaticContact CD2-CD2 3.63Å; Y227-H231 HydrophobicContact CE1-CB 3.83Å; Y227-H231 AromaticContact CE1-CD2 3.99Å; Y227-H231 AromaticContact CE2-CD2 3.58Å; Y227-H231 AromaticContact CE2-NE2 3.93Å; Y227-H231 AromaticContact CG-CD2 3.88Å; Y227-H231 AromaticContact CZ-CD2 3.77Å; Y227-H231 AromaticContact CZ-CG 3.91Å; Y227-H231 WeakPolarHBondContact O-CB 3.4Å; Y227-H231 PolarHBondContact O-CD2 2.9Å; Y227-H231 PolarHBondContact O-N 3.2Å; H231-E233 PolarHBondContact O-N 3Å
232	G	93.8	Very high	97.6	Very high	53 Å²	53	62 Å²	62	55%	0.546	38%	0.376	S	S	.	.			trans	71.3	2.9	-178.2	0	0	0	0	0	115	T228 P248	T228-G232 PolarHBondContact O-N 2.55Å; G232-P248 WeakPolarHBondContact O-CD 3.38Å; G232-P248 WeakPolarHBondContact O-CG 3.43Å
233	E	95.4	Very high	97.5	Very high	53 Å²	53	64.7 Å²	64.7	25%	0.248	40%	0.395	C	S	.	.			trans	-83.5	170.1	166.7	-64.3	175.6	163.3	0	0	110.5	Y227 T228 H231 T245	Y227-E233 HydrophobicContact CE1-CB 4.29Å; Y227-E233 PolarHBondContact OH-OE2 3.4Å; T228-E233 WeakPolarHBondContact CG2-O 3.42Å; H231-E233 PolarHBondContact O-N 3Å; E233-T245 WeakPolarHBondContact OE2-CB 3.34Å; E233-T245 PolarHBondContact OE2-OG1 2.76Å
234	V	95.8	Very high	97.5	Very high	64 Å²	64	65.8 Å²	65.8	39%	0.388	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-114.3	145.6	174.9	-57.7	0	0	0	0	112	I246 P248	V234-I246 HydrophobicContact CG2-CB 3.73Å; V234-I246 HydrophobicContact CG2-CG1 4.44Å; V234-I246 PolarHBondContact N-O 3.45Å; V234-I246 PolarHBondContact O-N 2.76Å; V234-P248 HydrophobicContact CG1-CB 4.13Å; V234-P248 HydrophobicContact CG1-CG 4.37Å
235	C	97.9	Very high	97.4	Very high	35 Å²	35	66.4 Å²	66.4	24%	0.236	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-91.1	124.5	-178.5	-62.7	0	0	0	0	111.2	A224 W239	A224-C235 HydrophobicContact CB-CB 4.44Å; C235-W239 HydrophobicContact CB-CB 3.83Å; C235-W239 HydrophobicContact CB-CD2 3.94Å; C235-W239 HydrophobicContact CB-CE3 4.38Å; C235-W239 HydrophobicContact CB-CG 3.68Å
236	P	97.8	Very high	97.3	Very high	26 Å²	26	65.6 Å²	65.6	17%	0.169	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-64.6	173.6	174.6	-22.3	32.5	0	0	0	114.8	G238 W239 D244 I246 Y256	P236-G238 PolarHBondContact O-N 3.35Å; P236-W239 VanDerWaalsContact O-CB 3.24Å; P236-W239 WeakPolarHBondContact O-CB 3.48Å; P236-W239 PolarHBondContact O-N 3.07Å; P236-D244 WeakPolarHBondContact CD-O 3.32Å; P236-D244 WeakPolarHBondContact CG-O 3.34Å; P236-I246 HydrophobicContact CG-CD1 4.09Å; P236-I246 HydrophobicContact CG-CG1 3.98Å; P236-Y256 HydrophobicContact CG-CE2 3.68Å; P236-Y256 WeakPolarHBondContact CG-OH 3.41Å
237	A	97.8	Very high	97.2	Very high	106 Å²	106	66.4 Å²	66.4	88%	0.876	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	132.2	172.5	0	0	0	0	0	111.2	W239	A237-W239 PolarHBondContact O-N 2.99Å
238	G	96.4	Very high	97	Very high	60 Å²	60	67.6 Å²	67.6	62%	0.619	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	8.8	-179.6	0	0	0	0	0	115.3	P236 K240	P236-G238 PolarHBondContact O-N 3.35Å; G238-K240 PolarHBondContact O-N 2.85Å
239	W	98.6	Very high	96.8	Very high	10 Å²	10	69.7 Å²	69.7	4%	0.038	43%	0.434	C	S	.	.			trans	-53.3	136.3	-179.8	179.7	94.1	0	0	0	112.4	R220 Q223 A224 Y227 C235 P236 A237 P241 S243	R220-W239 VanDerWaalsContact CD-O 3.23Å; R220-W239 WeakPolarHBondContact CD-O 3.12Å; R220-W239 VanDerWaalsContact CG-O 3.28Å; R220-W239 WeakPolarHBondContact CG-O 3.24Å; R220-W239 PolarHBondContact NH1-O 2.9Å; Q223-W239 HydrophobicContact CB-CZ3 4.28Å; A224-W239 VanDerWaalsContact CA-CZ3 3.42Å; A224-W239 HydrophobicContact CB-CE3 3.71Å; A224-W239 HydrophobicContact CB-CZ3 3.8Å; Y227-W239 HydrophobicContact CD1-CZ2 4.38Å; Y227-W239 HydrophobicContact CD2-CH2 4.19Å; Y227-W239 AromaticContact CD2-CZ2 3.81Å; Y227-W239 HydrophobicContact CD2-CZ2 3.81Å; Y227-W239 HydrophobicContact CE2-CZ2 4.36Å; Y227-W239 HydrophobicContact CG-CH2 4.08Å; Y227-W239 AromaticContact CG-CZ2 3.82Å; Y227-W239 HydrophobicContact CG-CZ2 3.82Å; C235-W239 HydrophobicContact CB-CB 3.83Å; C235-W239 HydrophobicContact CB-CD2 3.94Å; C235-W239 HydrophobicContact CB-CE3 4.38Å; C235-W239 HydrophobicContact CB-CG 3.68Å; P236-W239 VanDerWaalsContact O-CB 3.24Å; P236-W239 WeakPolarHBondContact O-CB 3.48Å; P236-W239 PolarHBondContact O-N 3.07Å; A237-W239 PolarHBondContact O-N 2.99Å; W239-P241 HydrophobicContact CH2-CG 4.34Å; W239-P241 HydrophobicContact CZ3-CG 4.45Å; W239-S243 PolarHBondContact NE1-O 3.29Å
240	K	98.1	Very high	96.5	Very high	133 Å²	133	70.8 Å²	70.8	58%	0.578	45%	0.445	S	S	*	.			trans	-129.2	161.7	170.5	-69.3	-175	179.1	-176.4	0	109.2	R220 G238 G242 S243	R220-K240 HydrophobicContact CG-CG 4.22Å; G238-K240 PolarHBondContact O-N 2.85Å; K240-G242 PolarHBondContact O-N 3.06Å; K240-S243 PolarHBondContact N-OG 3.21Å; K240-S243 VanDerWaalsContact O-CB 3.23Å; K240-S243 WeakPolarHBondContact O-CB 3.47Å; K240-S243 PolarHBondContact O-N 3.42Å; K240-S243 PolarHBondContact O-OG 3.29Å; K240-S243 VanDerWaalsContact O-OG 3.1Å
241	P	97.8	Very high	96.4	Very high	79 Å²	79	67 Å²	67	51%	0.513	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	128.1	174.2	-28.5	35.7	0	0	0	112.2	Q223 W239	Q223-P241 HydrophobicContact CB-CG 4.31Å; Q223-P241 HydrophobicContact CG-CG 4.46Å; W239-P241 HydrophobicContact CH2-CG 4.34Å; W239-P241 HydrophobicContact CZ3-CG 4.45Å
242	G	96.9	Very high	96.3	Very high	85 Å²	85	63 Å²	63	88%	0.876	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-8.8	-176.1	0	0	0	0	0	115.4	K240	K240-G242 PolarHBondContact O-N 3.06Å
243	S	97.6	Very high	96.3	Very high	56 Å²	56	64.8 Å²	64.8	39%	0.392	42%	0.418	S	S	.	.	S	Bend	trans	-74.8	154.6	171.5	-59.3	0	0	0	0	112.1	W239 K240	W239-S243 PolarHBondContact NE1-O 3.29Å; K240-S243 PolarHBondContact N-OG 3.21Å; K240-S243 VanDerWaalsContact O-CB 3.23Å; K240-S243 WeakPolarHBondContact O-CB 3.47Å; K240-S243 PolarHBondContact O-N 3.42Å; K240-S243 PolarHBondContact O-OG 3.29Å; K240-S243 VanDerWaalsContact O-OG 3.1Å
244	D	97.5	Very high	96.4	Very high	77 Å²	77	67.2 Å²	67.2	41%	0.412	43%	0.432	S	S	.	.			trans	-63.4	151.5	175.5	-69.2	-39.8	0	0	0	112.6	P236 Y256 K259	P236-D244 WeakPolarHBondContact CD-O 3.32Å; P236-D244 WeakPolarHBondContact CG-O 3.34Å; D244-Y256 HydrophobicContact CB-CD2 3.96Å; D244-Y256 HydrophobicContact CB-CE2 3.78Å; D244-K259 IonicContact OD1-NZ 3.7Å; D244-K259 PolarHBondContact OD1-NZ 3.32Å; D244-K259 WeakPolarHBondContact OD2-CD 3.39Å; D244-K259 WeakPolarHBondContact OD2-CE 3.38Å; D244-K259 IonicContact OD2-NZ 2.75Å; D244-K259 PolarHBondContact OD2-NZ 3.17Å
245	T	98.1	Very high	96.4	Very high	26 Å²	26	71.7 Å²	71.7	16%	0.16	45%	0.446	C	S	.	.			trans	-128.9	168.5	-175.4	49.1	0	0	0	0	111	Y227 E233 Y256	Y227-T245 HydrophobicContact CD1-CG2 4.28Å; Y227-T245 HydrophobicContact CE1-CG2 3.6Å; E233-T245 WeakPolarHBondContact OE2-CB 3.34Å; E233-T245 PolarHBondContact OE2-OG1 2.76Å; T245-Y256 VanDerWaalsContact O-CD2 3.23Å; T245-Y256 WeakPolarHBondContact O-CD2 3.23Å
246	I	96.7	Very high	96.4	Very high	29 Å²	29	72 Å²	72	15%	0.149	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-117	129.1	-176.2	-44.8	175.4	0	0	0	109.5	V234 P236 P248 K253 Y256	V234-I246 HydrophobicContact CG2-CB 3.73Å; V234-I246 HydrophobicContact CG2-CG1 4.44Å; V234-I246 PolarHBondContact N-O 3.45Å; V234-I246 PolarHBondContact O-N 2.76Å; P236-I246 HydrophobicContact CG-CD1 4.09Å; P236-I246 HydrophobicContact CG-CG1 3.98Å; I246-P248 WeakPolarHBondContact O-CD 3.4Å; I246-K253 HydrophobicContact CG2-CB 3.71Å; I246-Y256 HydrophobicContact CD1-CD1 3.92Å; I246-Y256 HydrophobicContact CD1-CE1 3.93Å; I246-Y256 HydrophobicContact CD1-CG 4.37Å; I246-Y256 HydrophobicContact CG1-CD1 3.71Å; I246-Y256 HydrophobicContact CG1-CD2 3.89Å; I246-Y256 HydrophobicContact CG1-CE1 4.02Å; I246-Y256 HydrophobicContact CG1-CE2 4.17Å; I246-Y256 HydrophobicContact CG1-CG 3.64Å
247	I	96.3	Very high	96.3	Very high	63 Å²	63	75 Å²	75	32%	0.323	45%	0.453	S	S	.	.			trans	-72.2	120.3	167.1	-58.3	172	0	0	0	107.5	D249 K253 K255	I247-D249 HydrophobicContact CG2-CB 4.07Å; I247-D249 PolarHBondContact O-N 3.36Å; I247-K253 PolarHBondContact O-N 3.11Å; I247-K255 HydrophobicContact CD1-CD 4.4Å
248	P	93.3	Very high	96.2	Very high	91 Å²	91	76.2 Å²	76.2	59%	0.591	45%	0.445	S	S	*	.	S	Bend	trans	-79.1	56	-174.9	33.8	-37	0	0	0	112.2	G232 V234 I246	G232-P248 WeakPolarHBondContact O-CD 3.38Å; G232-P248 WeakPolarHBondContact O-CG 3.43Å; V234-P248 HydrophobicContact CG1-CB 4.13Å; V234-P248 HydrophobicContact CG1-CG 4.37Å; I246-P248 WeakPolarHBondContact O-CD 3.4Å
249	D	93.6	Very high	96.2	Very high	78 Å²	78	79.9 Å²	79.9	42%	0.417	44%	0.443	S	S	.	.	S	Bend	trans	-132.6	140.9	178.3	172.2	77.7	0	0	0	109.6	I247 S251 G252 K253	I247-D249 HydrophobicContact CG2-CB 4.07Å; I247-D249 PolarHBondContact O-N 3.36Å; D249-S251 PolarHBondContact O-N 3.3Å; D249-S251 WeakPolarHBondContact OD2-CA 3.41Å; D249-S251 PolarHBondContact OD2-N 3.21Å; D249-G252 PolarHBondContact O-N 2.8Å; D249-G252 PolarHBondContact OD2-N 3.16Å; D249-K253 WeakPolarHBondContact O-CB 3.48Å; D249-K253 WeakPolarHBondContact O-CG 3.48Å; D249-K253 PolarHBondContact O-N 3.34Å
250	P	92.9	Very high	95.7	Very high	98 Å²	98	84.5 Å²	84.5	64%	0.636	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.5	-177.6	-29.4	36.9	0	0	0	115.3	K253	P250-K253 WeakPolarHBondContact O-CE 3.27Å
251	S	95.8	Very high	95	Very high	89 Å²	89	86.6 Å²	86.6	62%	0.622	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-41.7	177.3	-62.1	0	0	0	0	111.4	D249 K253 L254	D249-S251 PolarHBondContact O-N 3.3Å; D249-S251 WeakPolarHBondContact OD2-CA 3.41Å; D249-S251 PolarHBondContact OD2-N 3.21Å; S251-K253 VanDerWaalsContact C-N 3.31Å; S251-K253 PolarHBondContact O-N 3.26Å; S251-L254 WeakPolarHBondContact O-CB 3.25Å; S251-L254 PolarHBondContact O-N 3.42Å
252	G	93.5	Very high	94.9	Very high	13 Å²	13	87 Å²	87	13%	0.134	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.6	-179.6	0	0	0	0	0	113.5	D249 L254 K255	D249-G252 PolarHBondContact O-N 2.8Å; D249-G252 PolarHBondContact OD2-N 3.16Å; G252-L254 PolarHBondContact O-N 3.42Å; G252-L254 VanDerWaalsContact O-N 3.16Å; G252-K255 PolarHBondContact O-N 2.87Å
253	K	95.1	Very high	94.8	Very high	90 Å²	90	87.1 Å²	87.1	39%	0.391	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.2	179.6	74	-176.6	-177.2	176.5	0	113.6	I246 I247 D249 P250 S251 K255 Y256 F257	I246-K253 HydrophobicContact CG2-CB 3.71Å; I247-K253 PolarHBondContact O-N 3.11Å; D249-K253 WeakPolarHBondContact O-CB 3.48Å; D249-K253 WeakPolarHBondContact O-CG 3.48Å; D249-K253 PolarHBondContact O-N 3.34Å; P250-K253 WeakPolarHBondContact O-CE 3.27Å; S251-K253 VanDerWaalsContact C-N 3.31Å; S251-K253 PolarHBondContact O-N 3.26Å; K253-K255 PolarHBondContact O-N 3.29Å; K253-Y256 PolarHBondContact O-N 3.37Å; K253-Y256 VanDerWaalsContact O-N 3.11Å; K253-F257 HydrophobicContact CB-CD2 4.34Å; K253-F257 HydrophobicContact CB-CE2 4.14Å; K253-F257 HydrophobicContact CD-CE2 4.19Å; K253-F257 HydrophobicContact CG-CD2 4.24Å; K253-F257 HydrophobicContact CG-CE2 4.15Å; K253-F257 VanDerWaalsContact O-CD2 3.25Å; K253-F257 WeakPolarHBondContact O-CD2 3.36Å; K253-F257 PolarHBondContact O-N 3.18Å
254	L	96.8	Very high	94.6	Very high	104 Å²	104	88.8 Å²	88.8	55%	0.545	47%	0.468	S	S	.	.	H	α-helix	trans	-61.7	-28.5	-176.6	-62.8	178.4	0	0	0	112.1	S251 G252 Y256 F257 D258	S251-L254 WeakPolarHBondContact O-CB 3.25Å; S251-L254 PolarHBondContact O-N 3.42Å; G252-L254 PolarHBondContact O-N 3.42Å; G252-L254 VanDerWaalsContact O-N 3.16Å; L254-Y256 VanDerWaalsContact C-N 3.29Å; L254-Y256 PolarHBondContact O-N 3.15Å; L254-F257 PolarHBondContact O-N 2.85Å; L254-D258 VanDerWaalsContact O-CB 3.27Å; L254-D258 WeakPolarHBondContact O-CB 3.41Å; L254-D258 PolarHBondContact O-N 2.8Å
255	K	96.6	Very high	94.5	Very high	157 Å²	157	89.5 Å²	89.5	68%	0.683	47%	0.471	S	S	*	.	H	α-helix	trans	-59.3	-39.6	175.4	-65.5	-178.9	179.5	178.8	0	112.9	I247 G252 K253 K259	I247-K255 HydrophobicContact CD1-CD 4.4Å; G252-K255 PolarHBondContact O-N 2.87Å; K253-K255 PolarHBondContact O-N 3.29Å; K255-K259 PolarHBondContact O-N 3.35Å
256	Y	96.7	Very high	94.2	Very high	41 Å²	41	93.4 Å²	93.4	16%	0.161	49%	0.491	C	S	.	.	H	α-helix	trans	-70.9	-46.6	177.4	173.2	-91.8	0	0	0	111.1	P236 D244 T245 I246 K253 L254 D258 K259 L260	P236-Y256 HydrophobicContact CG-CE2 3.68Å; P236-Y256 WeakPolarHBondContact CG-OH 3.41Å; D244-Y256 HydrophobicContact CB-CD2 3.96Å; D244-Y256 HydrophobicContact CB-CE2 3.78Å; T245-Y256 VanDerWaalsContact O-CD2 3.23Å; T245-Y256 WeakPolarHBondContact O-CD2 3.23Å; I246-Y256 HydrophobicContact CD1-CD1 3.92Å; I246-Y256 HydrophobicContact CD1-CE1 3.93Å; I246-Y256 HydrophobicContact CD1-CG 4.37Å; I246-Y256 HydrophobicContact CG1-CD1 3.71Å; I246-Y256 HydrophobicContact CG1-CD2 3.89Å; I246-Y256 HydrophobicContact CG1-CE1 4.02Å; I246-Y256 HydrophobicContact CG1-CE2 4.17Å; I246-Y256 HydrophobicContact CG1-CG 3.64Å; K253-Y256 PolarHBondContact O-N 3.37Å; K253-Y256 VanDerWaalsContact O-N 3.11Å; L254-Y256 VanDerWaalsContact C-N 3.29Å; L254-Y256 PolarHBondContact O-N 3.15Å; Y256-D258 VanDerWaalsContact C-N 3.32Å; Y256-D258 PolarHBondContact O-N 3.22Å; Y256-K259 PolarHBondContact O-N 2.94Å; Y256-L260 HydrophobicContact CE1-CD2 3.83Å; Y256-L260 PolarHBondContact O-N 2.79Å; Y256-L260 VanDerWaalsContact O-N 3.15Å
257	F	95.8	Very high	94.1	Very high	91 Å²	91	97.7 Å²	97.7	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-68.5	-29.4	-177.7	-69.9	-69.4	0	0	0	113.3	K253 L254 N261	K253-F257 HydrophobicContact CB-CD2 4.34Å; K253-F257 HydrophobicContact CB-CE2 4.14Å; K253-F257 HydrophobicContact CD-CE2 4.19Å; K253-F257 HydrophobicContact CG-CD2 4.24Å; K253-F257 HydrophobicContact CG-CE2 4.15Å; K253-F257 VanDerWaalsContact O-CD2 3.25Å; K253-F257 WeakPolarHBondContact O-CD2 3.36Å; K253-F257 PolarHBondContact O-N 3.18Å; L254-F257 PolarHBondContact O-N 2.85Å; F257-N261 PolarHBondContact O-ND2 2.92Å
258	D	97.1	Very high	93.9	Very high	131 Å²	131	100.2 Å²	100.2	70%	0.701	53%	0.527	S	S	*	.	H	α-helix	trans	-71.6	-36.5	173.3	-171.7	65.1	0	0	0	112.1	L254 Y256 L260	L254-D258 VanDerWaalsContact O-CB 3.27Å; L254-D258 WeakPolarHBondContact O-CB 3.41Å; L254-D258 PolarHBondContact O-N 2.8Å; Y256-D258 VanDerWaalsContact C-N 3.32Å; Y256-D258 PolarHBondContact O-N 3.22Å; D258-L260 VanDerWaalsContact C-N 3.35Å
259	K	94.9	Very high	93.9	Very high	136 Å²	136	100.9 Å²	100.9	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-70.7	-31.2	177	-173.7	-179.2	178.3	-168.2	0	113	D244 K255 Y256	D244-K259 IonicContact OD1-NZ 3.7Å; D244-K259 PolarHBondContact OD1-NZ 3.32Å; D244-K259 WeakPolarHBondContact OD2-CD 3.39Å; D244-K259 WeakPolarHBondContact OD2-CE 3.38Å; D244-K259 IonicContact OD2-NZ 2.75Å; D244-K259 PolarHBondContact OD2-NZ 3.17Å; K255-K259 PolarHBondContact O-N 3.35Å; Y256-K259 PolarHBondContact O-N 2.94Å
260	L	88.8	Confident	94	Very high	108 Å²	108	102.8 Å²	102.8	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-82.4	-22.3	-173.5	-172.6	62.1	0	0	0	113.6	Y256 D258	Y256-L260 HydrophobicContact CE1-CD2 3.83Å; Y256-L260 PolarHBondContact O-N 2.79Å; Y256-L260 VanDerWaalsContact O-N 3.15Å; D258-L260 VanDerWaalsContact C-N 3.35Å
261	N	83.9	Confident	94.1	Very high	176 Å²	176	103.3 Å²	103.3	94%	0.941	52%	0.521	S	S	*	.			trans	-119.8	0	-173.6	-59.9	-76.4	0	0	0	111.4	F257	F257-N261 PolarHBondContact O-ND2 2.92Å

Retrieved 261 of 261 residues in 61.5 ms (Link to these results)

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