A0A077ZH69_TRITR Loading...

Serine/threonine-protein phosphatase PGAM5, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZH69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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	42.9	Very low	41.2	Very low	231 Å²	231	167.3 Å²	167.3	100%	1.138	86%	0.862	S	S	*	*				0	90.1	0	-82.3	170.7	166.7	0	0	107.1
2	F	42.4	Very low	41	Very low	209 Å²	209	167.2 Å²	167.2	92%	0.917	86%	0.863	S	S	*	*				47.7	116	79.6	-69.2	-66.6	0	0	0	110.7
3	R	41.1	Very low	40.6	Very low	235 Å²	235	161.2 Å²	161.2	89%	0.887	85%	0.854	S	S	*	*			cis	-153	140.2	27.5	-86.4	163.2	170.1	-172.5	-4.3	109.8
4	R	41.3	Very low	40.2	Very low	255 Å²	255	156.7 Å²	156.7	96%	0.962	85%	0.85	S	S	*	*			trans	-78.1	129.4	153.5	-76.8	-178.8	170.8	-177.8	-3	107.6
5	A	47.9	Very low	39.8	Very low	87 Å²	87	152.2 Å²	152.2	72%	0.719	84%	0.843	S	S	*	*			trans	-106.5	134.5	167.3	0	0	0	0	0	108.7
6	P	40.2	Very low	39.6	Very low	123 Å²	123	149.1 Å²	149.1	80%	0.799	84%	0.835	S	S	*	*			trans	-83.2	137.3	175.9	33.6	-29.1	0	0	0	109.4
7	V	44.2	Very low	39.7	Very low	143 Å²	143	150.8 Å²	150.8	87%	0.867	83%	0.831	S	S	*	*			trans	-101.7	124.9	169.3	178.2	0	0	0	0	108.6
8	L	38.9	Very low	39.9	Very low	158 Å²	158	149 Å²	149	83%	0.827	83%	0.826	S	S	*	*			trans	-40.1	129.9	177.4	-106.1	72.6	0	0	0	113.7	S10	L8-S10 PolarHBondContact O-N 3.31Å
9	V	40	Very low	40.6	Very low	134 Å²	134	146.7 Å²	146.7	81%	0.812	81%	0.812	S	S	*	*			trans	-71.6	112.1	154.4	175.5	0	0	0	0	107	L11	V9-L11 PolarHBondContact O-N 3.48Å
10	S	36.3	Very low	41.6	Very low	96 Å²	96	144 Å²	144	67%	0.671	80%	0.796	S	S	*	*			trans	-77.5	114.6	171	51.3	0	0	0	0	109.6	L8 L12	L8-S10 PolarHBondContact O-N 3.31Å; S10-L12 PolarHBondContact O-N 3.33Å
11	L	38.3	Very low	42.8	Very low	169 Å²	169	139.6 Å²	139.6	89%	0.885	77%	0.771	S	S	*	*			trans	-62.8	100.5	161.5	-89.7	129.9	0	0	0	108.5	V9 A13	V9-L11 PolarHBondContact O-N 3.48Å; L11-A13 PolarHBondContact O-N 3.3Å; L11-A13 VanDerWaalsContact O-N 3.11Å
12	L	37.9	Very low	44.1	Very low	166 Å²	166	131 Å²	131	87%	0.869	73%	0.733	S	S	*	*			trans	-69.9	101.2	159.1	-90.4	156.1	0	0	0	107.2	S10 A14	S10-L12 PolarHBondContact O-N 3.33Å; L12-A14 PolarHBondContact O-N 2.93Å; L12-A14 VanDerWaalsContact O-N 3.13Å
13	A	36.9	Very low	45.4	Very low	90 Å²	90	124 Å²	124	74%	0.744	70%	0.703	S	S	*	*			trans	-53.7	116.6	169.2	0	0	0	0	0	109.1	L11 A15	L11-A13 PolarHBondContact O-N 3.3Å; L11-A13 VanDerWaalsContact O-N 3.11Å; A13-A15 VanDerWaalsContact C-N 3.34Å; A13-A15 PolarHBondContact O-N 3.19Å
14	A	35	Very low	46.8	Very low	98 Å²	98	114.1 Å²	114.1	81%	0.81	67%	0.666	S	S	*	*			trans	-62.3	97.4	165.5	0	0	0	0	0	108.1	L12 S16	L12-A14 PolarHBondContact O-N 2.93Å; L12-A14 VanDerWaalsContact O-N 3.13Å; A14-S16 VanDerWaalsContact C-N 3.28Å; A14-S16 PolarHBondContact O-N 3.03Å
15	A	33.3	Very low	48	Very low	89 Å²	89	111 Å²	111	74%	0.736	65%	0.654	S	S	*	*			trans	-68.1	92.2	167.4	0	0	0	0	0	107.9	A13 K17	A13-A15 VanDerWaalsContact C-N 3.34Å; A13-A15 PolarHBondContact O-N 3.19Å; A15-K17 PolarHBondContact O-N 3.23Å
16	S	36.2	Very low	48.8	Very low	102 Å²	102	115.5 Å²	115.5	71%	0.713	66%	0.657	S	S	*	*			trans	-62.3	89.1	165.1	61.1	0	0	0	0	108.3	A14 T18	A14-S16 VanDerWaalsContact C-N 3.28Å; A14-S16 PolarHBondContact O-N 3.03Å; S16-T18 PolarHBondContact O-N 2.88Å
17	K	42.1	Very low	49.9	Very low	178 Å²	178	110.7 Å²	110.7	77%	0.774	63%	0.626	S	S	*	*			trans	-66.8	90.7	160.1	-77.1	-178.8	179	174.9	0	106.1	A15 N19	A15-K17 PolarHBondContact O-N 3.23Å; K17-N19 PolarHBondContact O-N 2.73Å; K17-N19 VanDerWaalsContact O-N 3.09Å
18	T	42.6	Very low	51.1	Low	119 Å²	119	106.5 Å²	106.5	73%	0.73	60%	0.604	S	S	*	*			trans	-48.2	118.5	169.8	47	0	0	0	0	108.4	S16 D20	S16-T18 PolarHBondContact O-N 2.88Å; T18-D20 PolarHBondContact O-N 3.36Å
19	N	54.4	Low	52.9	Low	106 Å²	106	101.8 Å²	101.8	57%	0.567	58%	0.581	S	S	*	*			trans	-60	94.5	172.5	-95	-27.6	0	0	0	108.7	K17 D21 R162	K17-N19 PolarHBondContact O-N 2.73Å; K17-N19 VanDerWaalsContact O-N 3.09Å; N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact O-N 3.22Å; N19-R162 PolarHBondContact ND2-NH2 3.44Å; N19-R162 PolarHBondContact OD1-NH2 3.48Å
20	D	60.3	Low	54.5	Low	91 Å²	91	97.4 Å²	97.4	49%	0.487	55%	0.552	S	S	.	*			trans	-75.4	89.9	167.7	-173.3	0.8	0	0	0	108.7	T18 S22	T18-D20 PolarHBondContact O-N 3.36Å; D20-S22 PolarHBondContact O-N 3.06Å; D20-S22 WeakPolarHBondContact OD1-CB 3.46Å; D20-S22 PolarHBondContact OD1-N 3.28Å; D20-S22 VanDerWaalsContact OD1-N 3.12Å; D20-S22 PolarHBondContact OD1-OG 3.15Å; D20-S22 PolarHBondContact OD2-OG 3.37Å
21	D	66.3	Low	56	Low	53 Å²	53	96.3 Å²	96.3	28%	0.283	54%	0.543	S	S	.	.			trans	-74	-5.8	178.5	-72.9	-9.1	0	0	0	113	N19 F23 W24 R25 R162	N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact O-N 3.22Å; D21-F23 VanDerWaalsContact C-N 3.34Å; D21-F23 PolarHBondContact O-N 3.18Å; D21-W24 PolarHBondContact O-N 3.5Å; D21-R25 WeakPolarHBondContact O-CG 3.45Å; D21-R25 PolarHBondContact O-N 2.8Å; D21-R25 IonicContact OD2-NH2 3.84Å; D21-R162 IonicContact OD1-CZ 3.4Å; D21-R162 IonicContact OD1-NH1 3.02Å; D21-R162 PolarHBondContact OD1-NH1 3.3Å; D21-R162 IonicContact OD1-NH2 2.68Å
22	S	70.1	Confident	57.1	Low	49 Å²	49	93.5 Å²	93.5	34%	0.343	54%	0.537	S	S	.	.	H	α-helix	trans	-60.8	-39.2	-170.7	66.6	0	0	0	0	113.6	D20 K26	D20-S22 PolarHBondContact O-N 3.06Å; D20-S22 WeakPolarHBondContact OD1-CB 3.46Å; D20-S22 PolarHBondContact OD1-N 3.28Å; D20-S22 VanDerWaalsContact OD1-N 3.12Å; D20-S22 PolarHBondContact OD1-OG 3.15Å; D20-S22 PolarHBondContact OD2-OG 3.37Å; S22-K26 WeakPolarHBondContact O-CG 3.4Å; S22-K26 PolarHBondContact O-N 3.5Å; S22-K26 VanDerWaalsContact O-N 3.16Å
23	F	70	Confident	58.2	Low	64 Å²	64	89.8 Å²	89.8	28%	0.281	52%	0.517	S	S	.	.	H	α-helix	trans	-59.5	-49.1	177.6	175	-92.9	0	0	0	111.6	D21 K26 S27 S174 P178	D21-F23 VanDerWaalsContact C-N 3.34Å; D21-F23 PolarHBondContact O-N 3.18Å; F23-K26 PolarHBondContact O-N 3.44Å; F23-S27 PolarHBondContact O-N 3.46Å; F23-S27 PolarHBondContact O-OG 3.26Å; F23-S174 WeakPolarHBondContact CE1-OG 3.15Å; F23-P178 HydrophobicContact CE2-CB 4.25Å; F23-P178 HydrophobicContact CZ-CB 4.26Å
24	W	70.9	Confident	58.9	Low	27 Å²	27	88.6 Å²	88.6	10%	0.102	50%	0.503	C	S	.	.	H	α-helix	trans	-70.6	-36.7	-177.1	-66	111.3	0	0	0	113	D21 K26 S27 S28 C159 R162 S174	D21-W24 PolarHBondContact O-N 3.5Å; W24-K26 VanDerWaalsContact C-N 3.3Å; W24-K26 PolarHBondContact O-N 2.93Å; W24-S27 PolarHBondContact O-N 3.48Å; W24-S27 PolarHBondContact O-OG 2.72Å; W24-S28 PolarHBondContact O-N 3.46Å; W24-S28 VanDerWaalsContact O-N 3.08Å; W24-C159 VanDerWaalsContact CH2-SG 3.58Å; W24-R162 HydrophobicContact CB-CB 4.29Å; W24-R162 HydrophobicContact CD2-CB 3.52Å; W24-R162 HydrophobicContact CD2-CG 4.1Å; W24-R162 HydrophobicContact CE3-CB 3.89Å; W24-R162 HydrophobicContact CG-CB 3.73Å; W24-R162 HydrophobicContact CG-CG 4.17Å; W24-R162 HydrophobicContact CH2-CB 4.36Å; W24-R162 HydrophobicContact CZ2-CB 4.1Å; W24-R162 HydrophobicContact CZ2-CG 4.16Å; W24-R162 HydrophobicContact CZ3-CB 4.3Å; W24-R162 VanDerWaalsContact CZ3-N 3.35Å; W24-S174 WeakPolarHBondContact CH2-OG 3.47Å; W24-S174 WeakPolarHBondContact CZ2-OG 3.31Å; W24-S174 WeakPolarHBondContact CZ3-OG 3.42Å
25	R	66.8	Low	59.8	Low	190 Å²	190	93.2 Å²	93.2	72%	0.717	51%	0.508	S	S	*	.	H	α-helix	trans	-63.7	-37.2	175.2	-72.1	-177.7	-171.1	-172.9	4.3	111.8	D21	D21-R25 WeakPolarHBondContact O-CG 3.45Å; D21-R25 PolarHBondContact O-N 2.8Å; D21-R25 IonicContact OD2-NH2 3.84Å
26	K	64.1	Low	60.7	Low	181 Å²	181	95 Å²	95	79%	0.787	51%	0.505	S	S	*	.	H	α-helix	trans	-73.1	-28.2	178.2	-73.1	175.5	179.9	179.7	0	113.4	S22 F23 W24	S22-K26 WeakPolarHBondContact O-CG 3.4Å; S22-K26 PolarHBondContact O-N 3.5Å; S22-K26 VanDerWaalsContact O-N 3.16Å; F23-K26 PolarHBondContact O-N 3.44Å; W24-K26 VanDerWaalsContact C-N 3.3Å; W24-K26 PolarHBondContact O-N 2.93Å
27	S	63.5	Low	61.5	Low	21 Å²	21	98 Å²	98	15%	0.147	51%	0.506	C	S	.	.	H	α-helix	trans	-93.8	-10.9	-178.5	67.2	0	0	0	0	114.1	F23 W24 V29	F23-S27 PolarHBondContact O-N 3.46Å; F23-S27 PolarHBondContact O-OG 3.26Å; W24-S27 PolarHBondContact O-N 3.48Å; W24-S27 PolarHBondContact O-OG 2.72Å; S27-V29 PolarHBondContact O-N 3.27Å
28	S	70.1	Confident	62.5	Low	56 Å²	56	100.3 Å²	100.3	39%	0.392	52%	0.516	S	S	.	.			trans	-69.5	121.2	-179.9	-167.2	0	0	0	0	110.3	W24	W24-S28 PolarHBondContact O-N 3.46Å; W24-S28 VanDerWaalsContact O-N 3.08Å
29	V	75.9	Confident	64.3	Low	59 Å²	59	97.1 Å²	97.1	36%	0.358	50%	0.499	S	S	.	.			trans	-116.7	-3.2	178.7	-69.7	0	0	0	0	112.5	S27 P182 E185 R189	S27-V29 PolarHBondContact O-N 3.27Å; V29-P182 HydrophobicContact CG1-CB 4.31Å; V29-P182 HydrophobicContact CG1-CG 3.97Å; V29-E185 HydrophobicContact CB-CG 4.46Å; V29-E185 HydrophobicContact CG2-CB 3.46Å; V29-E185 VanDerWaalsContact CG2-CB 3.46Å; V29-E185 HydrophobicContact CG2-CG 3.72Å; V29-R189 PolarHBondContact O-NH2 3.06Å
30	E	73	Confident	65.9	Low	42 Å²	42	95.5 Å²	95.5	20%	0.196	49%	0.485	C	S	.	.	S	Bend	trans	-74.9	146.6	176.8	63.4	-178.7	177.4	0	0	110.6	S32 R220 S226	E30-S32 PolarHBondContact O-N 3.41Å; E30-R220 WeakPolarHBondContact OE2-CD 3.2Å; E30-S226 WeakPolarHBondContact OE2-CB 2.99Å; E30-S226 PolarHBondContact OE2-OG 2.88Å
31	P	67.9	Low	67.2	Low	73 Å²	73	94.2 Å²	94.2	47%	0.474	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-55.5	138.5	170.3	-18.9	30.4	0	0	0	110	I33	P31-I33 PolarHBondContact O-N 3.32Å; P31-I33 VanDerWaalsContact O-N 3.15Å
32	S	61.2	Low	68.3	Low	110 Å²	110	92.8 Å²	92.8	77%	0.769	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-60.3	120.5	170.2	55.6	0	0	0	0	108.7	E30 S34	E30-S32 PolarHBondContact O-N 3.41Å; S32-S34 PolarHBondContact O-N 3.02Å
33	I	61.6	Low	69.2	Low	88 Å²	88	92 Å²	92	45%	0.451	46%	0.463	S	S	.	.			trans	-66.1	109	163.2	-61.3	167.2	0	0	0	104.7	P31 Q35 I224 Q225	P31-I33 PolarHBondContact O-N 3.32Å; P31-I33 VanDerWaalsContact O-N 3.15Å; I33-Q35 PolarHBondContact O-N 3.45Å; I33-I224 VanDerWaalsContact CD1-C 3.5Å; I33-I224 WeakPolarHBondContact CD1-O 3.02Å; I33-Q225 VanDerWaalsContact CD1-CA 3.48Å; I33-Q225 HydrophobicContact CD1-CB 4.37Å
34	S	51.8	Low	70.3	Confident	65 Å²	65	90.4 Å²	90.4	46%	0.455	46%	0.456	S	S	.	.			trans	-56	126.1	179.9	52.8	0	0	0	0	108.1	S32 D36	S32-S34 PolarHBondContact O-N 3.02Å; S34-D36 WeakPolarHBondContact CB-O 3.43Å; S34-D36 PolarHBondContact O-N 2.86Å; S34-D36 PolarHBondContact OG-O 2.96Å
35	Q	52.7	Low	71.4	Confident	195 Å²	195	90.1 Å²	90.1	91%	0.911	46%	0.456	S	S	*	.	S	Bend	trans	-61.6	-22.9	170.9	-72.1	-178.2	-26.9	0	0	110.6	I33 F37	I33-Q35 PolarHBondContact O-N 3.45Å; Q35-F37 PolarHBondContact O-N 3.07Å
36	D	53.4	Low	72.5	Confident	126 Å²	126	87.9 Å²	87.9	67%	0.674	45%	0.452	S	S	*	.	S	Bend	trans	-84.4	102.5	171.5	-61.9	-36.6	0	0	0	110	S34	S34-D36 WeakPolarHBondContact CB-O 3.43Å; S34-D36 PolarHBondContact O-N 2.86Å; S34-D36 PolarHBondContact OG-O 2.96Å
37	F	52.9	Low	73.8	Confident	164 Å²	164	84.8 Å²	84.8	72%	0.719	44%	0.435	S	S	*	.			trans	74	117.6	171.1	-57.4	-83.1	0	0	0	117.7	Q35 S39	Q35-F37 PolarHBondContact O-N 3.07Å; F37-S39 PolarHBondContact O-N 3.37Å
38	F	62.6	Low	74.8	Confident	227 Å²	227	85.5 Å²	85.5	100%	0.996	44%	0.437	S	S	*	.			trans	-57.1	29.8	168	-70.6	-93.1	0	0	0	114.9
39	S	81	Confident	75.1	Confident	53 Å²	53	86.9 Å²	86.9	37%	0.371	45%	0.445	S	S	.	.			trans	-82	133.4	-178.7	60.3	0	0	0	0	111	F37 D41	F37-S39 PolarHBondContact O-N 3.37Å; S39-D41 PolarHBondContact O-N 2.74Å
40	W	87.1	Confident	74.9	Confident	72 Å²	72	89.5 Å²	89.5	27%	0.273	45%	0.453	S	S	.	.			trans	-59.9	127.1	168.3	176.4	-97.2	0	0	0	110.9	P42 W44 A221 Q223 G248 V250	W40-P42 WeakPolarHBondContact O-CD 3.37Å; W40-W44 AromaticContact CZ2-CD1 3.49Å; W40-W44 VanDerWaalsContact CZ2-CD1 3.49Å; W40-W44 HydrophobicContact CZ2-CG 4.49Å; W40-W44 AromaticContact CZ2-NE1 3.5Å; W40-A221 WeakPolarHBondContact CH2-O 3.49Å; W40-Q223 HydrophobicContact CE3-CB 4.18Å; W40-Q223 HydrophobicContact CE3-CG 3.82Å; W40-Q223 HydrophobicContact CH2-CG 4.09Å; W40-Q223 HydrophobicContact CZ3-CB 4.09Å; W40-Q223 VanDerWaalsContact CZ3-CD 3.47Å; W40-Q223 HydrophobicContact CZ3-CG 3.52Å; W40-G248 WeakPolarHBondContact CZ2-O 3.49Å; W40-V250 HydrophobicContact CH2-CB 3.77Å; W40-V250 HydrophobicContact CH2-CG2 3.66Å; W40-V250 HydrophobicContact CZ2-CB 4.45Å; W40-V250 HydrophobicContact CZ2-CG2 4.11Å
41	D	89.2	Confident	74.6	Confident	63 Å²	63	89.9 Å²	89.9	34%	0.337	46%	0.464	S	S	.	.			trans	-73.3	106.7	165.1	177.3	4.3	0	0	0	108.5	S39 N43 W44 K46 Q223	S39-D41 PolarHBondContact O-N 2.74Å; D41-N43 PolarHBondContact O-N 2.87Å; D41-N43 VanDerWaalsContact OD1-C 3.3Å; D41-N43 WeakPolarHBondContact OD1-CA 3.15Å; D41-N43 PolarHBondContact OD1-N 2.76Å; D41-W44 HydrophobicContact CB-CB 4.31Å; D41-W44 VanDerWaalsContact O-CD1 3.31Å; D41-W44 PolarHBondContact OD1-N 3.37Å; D41-W44 WeakPolarHBondContact OD2-CA 3.47Å; D41-K46 IonicContact OD2-NZ 3.46Å; D41-K46 PolarHBondContact OD2-NZ 3.12Å; D41-Q223 PolarHBondContact O-NE2 3.46Å
42	P	87.8	Confident	74	Confident	24 Å²	24	91.2 Å²	91.2	16%	0.156	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20	179.9	30.6	-35.4	0	0	0	112.8	W40 I66 R194	W40-P42 WeakPolarHBondContact O-CD 3.37Å; P42-I66 HydrophobicContact CB-CD1 4.36Å; P42-R194 PolarHBondContact O-NH2 2.81Å
43	N	90.5	Very high	73.6	Confident	31 Å²	31	93.3 Å²	93.3	17%	0.166	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	40.8	-179.2	-167.8	28.3	0	0	0	111.3	D41 D45 K46 R47 D48 A51	D41-N43 PolarHBondContact O-N 2.87Å; D41-N43 VanDerWaalsContact OD1-C 3.3Å; D41-N43 WeakPolarHBondContact OD1-CA 3.15Å; D41-N43 PolarHBondContact OD1-N 2.76Å; N43-D45 PolarHBondContact O-N 2.85Å; N43-K46 WeakPolarHBondContact O-CD 3.34Å; N43-K46 WeakPolarHBondContact O-CE 3.16Å; N43-K46 PolarHBondContact O-N 3.47Å; N43-K46 VanDerWaalsContact O-N 3.11Å; N43-K46 PolarHBondContact O-NZ 3.39Å; N43-K46 VanDerWaalsContact OD1-C 3.31Å; N43-K46 WeakPolarHBondContact OD1-CA 3.36Å; N43-K46 PolarHBondContact OD1-N 2.61Å; N43-R47 PolarHBondContact OD1-N 3.31Å; N43-R47 VanDerWaalsContact OD1-N 3.12Å; N43-D48 HydrophobicContact CB-CB 4.01Å; N43-D48 VanDerWaalsContact OD1-CB 3.27Å; N43-D48 WeakPolarHBondContact OD1-CB 3.46Å; N43-D48 PolarHBondContact OD1-N 3.23Å; N43-A51 HydrophobicContact CB-CB 4.09Å; N43-A51 WeakPolarHBondContact ND2-CB 3.37Å
44	W	92.3	Very high	73	Confident	32 Å²	32	95.7 Å²	95.7	12%	0.121	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29	-179	62.1	-92.7	0	0	0	113.4	W40 D41 F188 F192 I244 G248 V250	W40-W44 AromaticContact CZ2-CD1 3.49Å; W40-W44 VanDerWaalsContact CZ2-CD1 3.49Å; W40-W44 HydrophobicContact CZ2-CG 4.49Å; W40-W44 AromaticContact CZ2-NE1 3.5Å; D41-W44 HydrophobicContact CB-CB 4.31Å; D41-W44 VanDerWaalsContact O-CD1 3.31Å; D41-W44 PolarHBondContact OD1-N 3.37Å; D41-W44 WeakPolarHBondContact OD2-CA 3.47Å; W44-F188 HydrophobicContact CE3-CE1 4.17Å; W44-F188 HydrophobicContact CE3-CZ 4.16Å; W44-F188 HydrophobicContact CZ3-CE1 4.06Å; W44-F188 AromaticContact CZ3-CZ 3.92Å; W44-F188 HydrophobicContact CZ3-CZ 3.92Å; W44-F192 HydrophobicContact CH2-CB 3.85Å; W44-F192 HydrophobicContact CZ3-CB 3.73Å; W44-F192 WeakPolarHBondContact CZ3-O 3.39Å; W44-I244 HydrophobicContact CH2-CD1 4.14Å; W44-I244 HydrophobicContact CZ2-CD1 4.44Å; W44-I244 HydrophobicContact CZ2-CG2 4.02Å; W44-G248 PolarHBondContact NE1-O 3.46Å; W44-V250 HydrophobicContact CZ2-CG2 3.82Å
45	D	93.4	Very high	72.9	Confident	21 Å²	21	97.4 Å²	97.4	11%	0.112	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.5	177.5	63.1	-9.1	0	0	0	113.6	N43 R47 R194	N43-D45 PolarHBondContact O-N 2.85Å; D45-R47 WeakPolarHBondContact O-CG 3.18Å; D45-R47 PolarHBondContact O-N 3.01Å; D45-R47 PolarHBondContact OD1-N 3.16Å; D45-R194 IonicContact OD1-CZ 3.89Å; D45-R194 IonicContact OD1-NE 3.51Å; D45-R194 PolarHBondContact OD1-NE 3.4Å; D45-R194 VanDerWaalsContact OD1-NE 3.09Å; D45-R194 IonicContact OD1-NH2 3.51Å; D45-R194 PolarHBondContact OD1-NH2 3.45Å; D45-R194 WeakPolarHBondContact OD2-CB 3.47Å; D45-R194 VanDerWaalsContact OD2-CG 3.26Å; D45-R194 WeakPolarHBondContact OD2-CG 3.21Å; D45-R194 IonicContact OD2-CZ 3.69Å; D45-R194 PolarHBondContact OD2-N 2.77Å; D45-R194 IonicContact OD2-NE 3.92Å; D45-R194 PolarHBondContact OD2-NE 2.79Å; D45-R194 IonicContact OD2-NH2 2.61Å
46	K	91.1	Very high	72.7	Confident	143 Å²	143	95.3 Å²	95.3	62%	0.622	49%	0.486	S	S	*	.	S	Bend	trans	58.5	28.7	-177	-50.8	-61.6	166	-144.4	0	113.6	D41 N43	D41-K46 IonicContact OD2-NZ 3.46Å; D41-K46 PolarHBondContact OD2-NZ 3.12Å; N43-K46 WeakPolarHBondContact O-CD 3.34Å; N43-K46 WeakPolarHBondContact O-CE 3.16Å; N43-K46 PolarHBondContact O-N 3.47Å; N43-K46 VanDerWaalsContact O-N 3.11Å; N43-K46 PolarHBondContact O-NZ 3.39Å; N43-K46 VanDerWaalsContact OD1-C 3.31Å; N43-K46 WeakPolarHBondContact OD1-CA 3.36Å; N43-K46 PolarHBondContact OD1-N 2.61Å
47	R	89.8	Confident	72.7	Confident	115 Å²	115	97.3 Å²	97.3	43%	0.434	49%	0.489	S	S	.	.			trans	-121.9	10.4	-179.1	-64.4	179.2	-167.6	-152.1	5.8	113.7	N43 D45 P49 Y193 R194	N43-R47 PolarHBondContact OD1-N 3.31Å; N43-R47 VanDerWaalsContact OD1-N 3.12Å; D45-R47 WeakPolarHBondContact O-CG 3.18Å; D45-R47 PolarHBondContact O-N 3.01Å; D45-R47 PolarHBondContact OD1-N 3.16Å; R47-P49 VanDerWaalsContact O-CD 3.27Å; R47-P49 WeakPolarHBondContact O-CD 3.43Å; R47-Y193 VanDerWaalsContact CZ-CG 3.5Å; R47-Y193 VanDerWaalsContact NH1-CG 3.31Å; R47-R194 HydrophobicContact CB-CG 4.28Å
48	D	84.8	Confident	72.5	Confident	36 Å²	36	94.2 Å²	94.2	19%	0.193	48%	0.479	C	S	.	.			trans	-67.8	118.5	174.7	-161.5	-39.7	0	0	0	110.7	N43 E50 A51 R194	N43-D48 HydrophobicContact CB-CB 4.01Å; N43-D48 VanDerWaalsContact OD1-CB 3.27Å; N43-D48 WeakPolarHBondContact OD1-CB 3.46Å; N43-D48 PolarHBondContact OD1-N 3.23Å; D48-E50 PolarHBondContact O-N 3.04Å; D48-E50 PolarHBondContact OD1-N 3.2Å; D48-A51 HydrophobicContact CB-CB 3.82Å; D48-A51 PolarHBondContact O-N 3.47Å; D48-R194 IonicContact OD1-NH1 2.78Å; D48-R194 IonicContact OD2-CZ 2.97Å; D48-R194 IonicContact OD2-NH1 3.28Å; D48-R194 PolarHBondContact OD2-NH1 3.36Å; D48-R194 IonicContact OD2-NH2 3.81Å
49	P	76.4	Confident	71.9	Confident	85 Å²	85	89.9 Å²	89.9	55%	0.552	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-59.6	-31.8	178.5	-22.4	34.1	0	0	0	113.2	R47 S52	R47-P49 VanDerWaalsContact O-CD 3.27Å; R47-P49 WeakPolarHBondContact O-CD 3.43Å; P49-S52 PolarHBondContact O-OG 3.08Å
50	E	73.3	Confident	70.6	Confident	115 Å²	115	94.8 Å²	94.8	54%	0.537	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-84	-17.2	-177	-64.7	-170.7	173.6	0	0	112.7	D48 S52 F53 H65	D48-E50 PolarHBondContact O-N 3.04Å; D48-E50 PolarHBondContact OD1-N 3.2Å; E50-S52 PolarHBondContact O-N 3.23Å; E50-F53 PolarHBondContact O-N 3.32Å; E50-H65 IonicContact OE2-CE1 3.48Å; E50-H65 PolarHBondContact OE2-CE1 2.92Å; E50-H65 IonicContact OE2-ND1 3.06Å; E50-H65 PolarHBondContact OE2-ND1 3.25Å
51	A	66.4	Low	69	Low	50 Å²	50	95.8 Å²	95.8	41%	0.413	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-66.4	-10.6	-178.3	0	0	0	0	0	114.5	N43 D48 F53	N43-A51 HydrophobicContact CB-CB 4.09Å; N43-A51 WeakPolarHBondContact ND2-CB 3.37Å; D48-A51 HydrophobicContact CB-CB 3.82Å; D48-A51 PolarHBondContact O-N 3.47Å; A51-F53 PolarHBondContact O-N 3.35Å
52	S	55.2	Low	67.3	Low	100 Å²	100	94.5 Å²	94.5	70%	0.699	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-66.7	-14.7	169.4	-41.5	0	0	0	0	112.5	P49 E50	P49-S52 PolarHBondContact O-OG 3.08Å; E50-S52 PolarHBondContact O-N 3.23Å
53	F	52.5	Low	65.8	Low	155 Å²	155	101.3 Å²	101.3	68%	0.68	50%	0.498	S	S	*	.	S	Bend	trans	-122	112.4	-177.2	-55.6	-84.5	0	0	0	109.4	E50 A51	E50-F53 PolarHBondContact O-N 3.32Å; A51-F53 PolarHBondContact O-N 3.35Å
54	Q	48.5	Very low	64.3	Low	138 Å²	138	106.7 Å²	106.7	65%	0.645	52%	0.52	S	S	*	.			trans	117.1	109.2	156.7	-61.7	169.8	4.2	0	0	117
55	S	49.2	Very low	62.6	Low	101 Å²	101	109.1 Å²	109.1	71%	0.706	53%	0.532	S	S	*	.			trans	-67.6	138	155.9	49.3	0	0	0	0	113.1	K57	S55-K57 PolarHBondContact O-N 3.49Å
56	D	50	Low	61	Low	151 Å²	151	109.6 Å²	109.6	81%	0.807	53%	0.534	S	S	*	.	S	Bend	trans	54.8	36.6	144.4	-60.5	-16.7	0	0	0	121.9
57	K	52.1	Low	59.5	Low	168 Å²	168	106.2 Å²	106.2	73%	0.73	52%	0.523	S	S	*	.			trans	-140.3	46.7	157.7	-71.4	-167.4	178.5	177.9	0	113.5	S55 Y59 Q61	S55-K57 PolarHBondContact O-N 3.49Å; K57-Y59 PolarHBondContact O-N 2.84Å; K57-Q61 PolarHBondContact O-OE1 2.91Å
58	L	49.1	Very low	57.9	Low	99 Å²	99	105 Å²	105	52%	0.518	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	90.6	-168	-72.7	106.2	0	0	0	114.1	N62	L58-N62 WeakPolarHBondContact CB-ND2 3.44Å; L58-N62 WeakPolarHBondContact CD2-ND2 3.23Å
59	Y	50	Low	56.6	Low	136 Å²	136	105.1 Å²	105.1	53%	0.533	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	-55.7	149.5	-170.6	-103	0	0	0	111.9	K57 N62 R63	K57-Y59 PolarHBondContact O-N 2.84Å; Y59-N62 PolarHBondContact O-N 2.78Å; Y59-R63 PolarHBondContact O-N 2.9Å; Y59-R63 VanDerWaalsContact O-N 3.15Å
60	E	53.4	Low	55.5	Low	155 Å²	155	103.1 Å²	103.1	72%	0.724	52%	0.515	S	S	*	.	H	α-helix	trans	-73.1	-36	179.5	-74.5	-173.6	159	0	0	113.1	N62 K64	E60-N62 VanDerWaalsContact C-N 3.34Å; E60-K64 PolarHBondContact O-N 3.15Å
61	Q	53.6	Low	54.5	Low	93 Å²	93	102 Å²	102	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-41.2	174.2	-72.3	-179.2	-28.4	0	0	110.5	K57 R63 K64 H65	K57-Q61 PolarHBondContact O-OE1 2.91Å; Q61-R63 PolarHBondContact O-N 2.61Å; Q61-K64 PolarHBondContact O-N 3.11Å; Q61-H65 WeakPolarHBondContact O-CB 3.5Å; Q61-H65 PolarHBondContact O-CD2 3.12Å; Q61-H65 VanDerWaalsContact O-CD2 3.28Å; Q61-H65 PolarHBondContact O-N 3.09Å
62	N	54.8	Low	53.8	Low	36 Å²	36	108.2 Å²	108.2	19%	0.193	53%	0.531	C	S	.	.	H	α-helix	trans	-66.2	-40.3	179	-70.5	0.5	0	0	0	113	L58 Y59 E60 K64 H65 I66	L58-N62 WeakPolarHBondContact CB-ND2 3.44Å; L58-N62 WeakPolarHBondContact CD2-ND2 3.23Å; Y59-N62 PolarHBondContact O-N 2.78Å; E60-N62 VanDerWaalsContact C-N 3.34Å; N62-K64 VanDerWaalsContact C-N 3.35Å; N62-H65 PolarHBondContact O-N 3.31Å; N62-I66 WeakPolarHBondContact O-CG1 3.27Å; N62-I66 PolarHBondContact O-N 3.13Å
63	R	56.4	Low	53.6	Low	168 Å²	168	105.5 Å²	105.5	63%	0.634	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-45.7	177.7	-140.5	-176.7	-166.1	-165.5	4.3	110.8	Y59 Q61 H65 D67	Y59-R63 PolarHBondContact O-N 2.9Å; Y59-R63 VanDerWaalsContact O-N 3.15Å; Q61-R63 PolarHBondContact O-N 2.61Å; R63-H65 VanDerWaalsContact C-N 3.34Å; R63-H65 PolarHBondContact O-N 3Å; R63-D67 WeakPolarHBondContact O-CB 3.12Å; R63-D67 PolarHBondContact O-N 3.05Å; R63-D67 VanDerWaalsContact O-N 3.07Å
64	K	57	Low	53.4	Low	143 Å²	143	106.1 Å²	106.1	62%	0.622	51%	0.512	S	S	*	.	H	α-helix	trans	-62	-42	172.7	-69.9	-176.4	-176.6	175.9	0	110.9	E60 Q61 N62 D67 L68	E60-K64 PolarHBondContact O-N 3.15Å; Q61-K64 PolarHBondContact O-N 3.11Å; N62-K64 VanDerWaalsContact C-N 3.35Å; K64-D67 PolarHBondContact O-N 3.36Å; K64-L68 HydrophobicContact CB-CD1 4.05Å; K64-L68 WeakPolarHBondContact O-CA 3.33Å; K64-L68 WeakPolarHBondContact O-CB 3.14Å; K64-L68 WeakPolarHBondContact O-CD1 3.39Å; K64-L68 WeakPolarHBondContact O-CG 3.25Å; K64-L68 PolarHBondContact O-N 3.3Å
65	H	57.9	Low	53.5	Low	83 Å²	83	108.6 Å²	108.6	38%	0.384	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-45.3	179.4	-97.1	-97.8	0	0	0	113	E50 Q61 N62 R63 L68 A69	E50-H65 IonicContact OE2-CE1 3.48Å; E50-H65 PolarHBondContact OE2-CE1 2.92Å; E50-H65 IonicContact OE2-ND1 3.06Å; E50-H65 PolarHBondContact OE2-ND1 3.25Å; Q61-H65 WeakPolarHBondContact O-CB 3.5Å; Q61-H65 PolarHBondContact O-CD2 3.12Å; Q61-H65 VanDerWaalsContact O-CD2 3.28Å; Q61-H65 PolarHBondContact O-N 3.09Å; N62-H65 PolarHBondContact O-N 3.31Å; R63-H65 VanDerWaalsContact C-N 3.34Å; R63-H65 PolarHBondContact O-N 3Å; H65-L68 PolarHBondContact O-N 2.8Å; H65-A69 WeakPolarHBondContact O-CB 3.37Å; H65-A69 PolarHBondContact O-N 3.09Å
66	I	59.3	Low	54.1	Low	31 Å²	31	110.9 Å²	110.9	16%	0.159	53%	0.526	C	S	.	.	H	α-helix	trans	-64.5	-46.6	177.7	-62.3	166.8	0	0	0	109.7	P42 N62 L68 A69 D70	P42-I66 HydrophobicContact CB-CD1 4.36Å; N62-I66 WeakPolarHBondContact O-CG1 3.27Å; N62-I66 PolarHBondContact O-N 3.13Å; I66-L68 VanDerWaalsContact C-N 3.33Å; I66-L68 PolarHBondContact O-N 2.87Å; I66-A69 PolarHBondContact O-N 2.96Å; I66-D70 WeakPolarHBondContact O-CB 3.13Å; I66-D70 PolarHBondContact O-N 3.35Å
67	D	59.7	Low	55.4	Low	72 Å²	72	105.8 Å²	105.8	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-69.3	-31.2	179.4	-67	-19.9	0	0	0	112	R63 K64 N71 R249	R63-D67 WeakPolarHBondContact O-CB 3.12Å; R63-D67 PolarHBondContact O-N 3.05Å; R63-D67 VanDerWaalsContact O-N 3.07Å; K64-D67 PolarHBondContact O-N 3.36Å; D67-N71 WeakPolarHBondContact O-CB 3.27Å; D67-N71 VanDerWaalsContact O-CG 3.23Å; D67-N71 PolarHBondContact O-N 3.03Å; D67-N71 PolarHBondContact O-ND2 3.07Å; D67-R249 IonicContact OD1-NH1 3.89Å
68	L	56.3	Low	57.3	Low	90 Å²	90	99 Å²	99	47%	0.471	47%	0.473	S	S	.	.	H	α-helix	trans	-74.1	-38.4	174.4	-77.4	161.1	0	0	0	111.5	K64 H65 I66 N71 K72	K64-L68 HydrophobicContact CB-CD1 4.05Å; K64-L68 WeakPolarHBondContact O-CA 3.33Å; K64-L68 WeakPolarHBondContact O-CB 3.14Å; K64-L68 WeakPolarHBondContact O-CD1 3.39Å; K64-L68 WeakPolarHBondContact O-CG 3.25Å; K64-L68 PolarHBondContact O-N 3.3Å; H65-L68 PolarHBondContact O-N 2.8Å; I66-L68 VanDerWaalsContact C-N 3.33Å; I66-L68 PolarHBondContact O-N 2.87Å; L68-N71 PolarHBondContact O-N 2.75Å; L68-K72 VanDerWaalsContact O-CB 3.23Å; L68-K72 WeakPolarHBondContact O-CB 3.41Å; L68-K72 WeakPolarHBondContact O-CG 3.27Å; L68-K72 PolarHBondContact O-N 2.74Å
69	A	57	Low	59.5	Low	38 Å²	38	94.3 Å²	94.3	31%	0.314	45%	0.449	S	S	.	.	H	α-helix	trans	-65.4	-49.2	174.5	0	0	0	0	0	109.3	H65 I66 N71 K72 T73	H65-A69 WeakPolarHBondContact O-CB 3.37Å; H65-A69 PolarHBondContact O-N 3.09Å; I66-A69 PolarHBondContact O-N 2.96Å; A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 3.2Å; A69-K72 PolarHBondContact O-N 3.15Å; A69-T73 VanDerWaalsContact O-CB 3.27Å; A69-T73 WeakPolarHBondContact O-CB 3.44Å; A69-T73 VanDerWaalsContact O-CG2 3.27Å; A69-T73 WeakPolarHBondContact O-CG2 3.27Å; A69-T73 PolarHBondContact O-N 2.92Å; A69-T73 PolarHBondContact O-OG1 2.72Å
70	D	54.5	Low	61.8	Low	43 Å²	43	87.9 Å²	87.9	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-63.5	-35.8	176.4	-73.3	-11.3	0	0	0	111.2	I66 T73 K74 S247 R249	I66-D70 WeakPolarHBondContact O-CB 3.13Å; I66-D70 PolarHBondContact O-N 3.35Å; D70-T73 WeakPolarHBondContact CA-OG1 3.4Å; D70-T73 PolarHBondContact O-OG1 3.2Å; D70-K74 PolarHBondContact O-N 3Å; D70-S247 WeakPolarHBondContact OD1-CB 3.47Å; D70-S247 PolarHBondContact OD1-OG 2.89Å; D70-R249 IonicContact OD2-NH1 3.34Å; D70-R249 PolarHBondContact OD2-NH1 2.76Å
71	N	52.5	Low	63.9	Low	92 Å²	92	80.7 Å²	80.7	49%	0.492	39%	0.39	S	S	.	.	H	α-helix	trans	-78.3	-34.3	177.1	-80.2	-49.8	0	0	0	114.3	D67 L68 A69 T73 K74	D67-N71 WeakPolarHBondContact O-CB 3.27Å; D67-N71 VanDerWaalsContact O-CG 3.23Å; D67-N71 PolarHBondContact O-N 3.03Å; D67-N71 PolarHBondContact O-ND2 3.07Å; L68-N71 PolarHBondContact O-N 2.75Å; A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 3.2Å; N71-T73 VanDerWaalsContact C-N 3.34Å; N71-K74 WeakPolarHBondContact OD1-CE 3.49Å; N71-K74 PolarHBondContact OD1-NZ 3.5Å
72	K	50.6	Low	66.1	Low	181 Å²	181	76.3 Å²	76.3	79%	0.787	37%	0.369	S	S	*	.	H	α-helix	trans	-72.8	-27.9	172.6	-81.3	-177.4	174.8	178.3	0	111.9	L68 A69	L68-K72 VanDerWaalsContact O-CB 3.23Å; L68-K72 WeakPolarHBondContact O-CB 3.41Å; L68-K72 WeakPolarHBondContact O-CG 3.27Å; L68-K72 PolarHBondContact O-N 2.74Å; A69-K72 PolarHBondContact O-N 3.15Å
73	T	50.7	Low	68.2	Low	43 Å²	43	74.6 Å²	74.6	26%	0.264	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	15.8	176.7	60.1	0	0	0	0	114.1	A69 D70 N71 K75 S77	A69-T73 VanDerWaalsContact O-CB 3.27Å; A69-T73 WeakPolarHBondContact O-CB 3.44Å; A69-T73 VanDerWaalsContact O-CG2 3.27Å; A69-T73 WeakPolarHBondContact O-CG2 3.27Å; A69-T73 PolarHBondContact O-N 2.92Å; A69-T73 PolarHBondContact O-OG1 2.72Å; D70-T73 WeakPolarHBondContact CA-OG1 3.4Å; D70-T73 PolarHBondContact O-OG1 3.2Å; N71-T73 VanDerWaalsContact C-N 3.34Å; T73-K75 CarbonylContact O-C 3.57Å; T73-K75 PolarHBondContact O-N 2.77Å; T73-K75 VanDerWaalsContact O-O 3.08Å; T73-S77 PolarHBondContact O-N 3.27Å
74	K	48.5	Very low	70.2	Confident	167 Å²	167	66.6 Å²	66.6	73%	0.726	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-9.2	166	-86	-176.3	178.8	170.2	0	113.7	D70 N71	D70-K74 PolarHBondContact O-N 3Å; N71-K74 WeakPolarHBondContact OD1-CE 3.49Å; N71-K74 PolarHBondContact OD1-NZ 3.5Å
75	K	51.9	Low	72.2	Confident	191 Å²	191	59.8 Å²	59.8	83%	0.83	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	100.1	154.1	-91.1	-177.9	170.5	179.9	0	109.7	T73 S77	T73-K75 CarbonylContact O-C 3.57Å; T73-K75 PolarHBondContact O-N 2.77Å; T73-K75 VanDerWaalsContact O-O 3.08Å; K75-S77 PolarHBondContact O-N 3.01Å
76	N	60.2	Low	74.1	Confident	149 Å²	149	57 Å²	57	80%	0.797	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	59.8	166.4	-63.6	-4.3	0	0	0	116	I78	N76-I78 PolarHBondContact O-N 2.89Å
77	S	77.1	Confident	76	Confident	44 Å²	44	55.7 Å²	55.7	31%	0.308	28%	0.28	S	S	.	.			trans	-57.5	106.2	168.4	169	0	0	0	0	110.4	T73 K75	T73-S77 PolarHBondContact O-N 3.27Å; K75-S77 PolarHBondContact O-N 3.01Å
78	I	92.9	Very high	77.8	Confident	26 Å²	26	52.3 Å²	52.3	13%	0.133	26%	0.261	C	S	.	.			trans	-66.9	146.1	173.8	-67.3	141.8	0	0	0	109.8	N76 P195 Q199 A201 Q246	N76-I78 PolarHBondContact O-N 2.89Å; I78-P195 HydrophobicContact CG2-CB 3.94Å; I78-P195 HydrophobicContact CG2-CG 4.15Å; I78-Q199 WeakPolarHBondContact CD1-O 3.17Å; I78-Q199 HydrophobicContact CG2-CB 4.31Å; I78-Q199 HydrophobicContact CG2-CG 3.79Å; I78-A201 WeakPolarHBondContact CG2-O 3.4Å; I78-Q246 PolarHBondContact O-N 3.36Å; I78-Q246 VanDerWaalsContact O-N 3.17Å
79	S	96	Very high	79.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.6	-177.8	63.9	0	0	0	0	113.2	N81 Q199 D202 S203 K243 I244	S79-N81 PolarHBondContact OG-ND2 3.36Å; S79-Q199 PolarHBondContact O-NE2 2.65Å; S79-D202 PolarHBondContact N-OD1 3.45Å; S79-D202 VanDerWaalsContact O-CA 3.28Å; S79-D202 WeakPolarHBondContact O-CA 3.21Å; S79-D202 PolarHBondContact OG-OD1 3.23Å; S79-D202 PolarHBondContact OG-OD2 3.39Å; S79-S203 PolarHBondContact O-N 3.39Å; S79-K243 WeakPolarHBondContact OG-CE 3.45Å; S79-I244 CarbonylContact C-O 3.45Å; S79-I244 VanDerWaalsContact CA-O 3.23Å; S79-I244 WeakPolarHBondContact CA-O 3.23Å; S79-I244 WeakPolarHBondContact CB-O 3.37Å
80	R	97.7	Very high	81.8	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.5	167.1	-63	-176.6	58.4	-133.6	-0.8	108.9	L82 Y191 Y193 P195 S203 E205 K243 I244	R80-L82 HydrophobicContact CB-CD2 4.21Å; R80-Y191 PolarHBondContact NH1-O 2.81Å; R80-Y191 PolarHBondContact NH2-O 2.8Å; R80-Y191 VanDerWaalsContact NH2-O 3.09Å; R80-Y193 VanDerWaalsContact NH1-CG 3.29Å; R80-Y193 VanDerWaalsContact NH1-CZ 3.29Å; R80-Y193 PolarHBondContact NH1-O 2.83Å; R80-P195 HydrophobicContact CG-CB 4.47Å; R80-P195 HydrophobicContact CG-CG 4.02Å; R80-S203 WeakPolarHBondContact CA-OG 3.31Å; R80-S203 WeakPolarHBondContact CG-OG 3.4Å; R80-E205 IonicContact CZ-OE1 2.96Å; R80-E205 VanDerWaalsContact CZ-OE1 3.28Å; R80-E205 IonicContact CZ-OE2 3.8Å; R80-E205 IonicContact NE-OE1 3.73Å; R80-E205 PolarHBondContact NE-OE1 2.6Å; R80-E205 IonicContact NH2-OE1 2.75Å; R80-E205 PolarHBondContact NH2-OE1 3.29Å; R80-E205 IonicContact NH2-OE2 3.45Å; R80-E205 PolarHBondContact NH2-OE2 3.1Å; R80-K243 WeakPolarHBondContact O-CA 3.39Å; R80-I244 PolarHBondContact N-O 3.43Å; R80-I244 PolarHBondContact O-N 2.9Å
81	N	98.2	Very high	83.8	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.1	178.4	-63.8	-83.4	0	0	0	108.6	S79 F83 S203 Y204 E205 W241	S79-N81 PolarHBondContact OG-ND2 3.36Å; N81-F83 HydrophobicContact CB-CE2 3.82Å; N81-S203 VanDerWaalsContact CB-O 3.28Å; N81-S203 WeakPolarHBondContact CB-O 3.29Å; N81-S203 PolarHBondContact N-O 2.92Å; N81-S203 PolarHBondContact ND2-O 2.87Å; N81-Y204 HydrophobicContact CB-CD1 3.74Å; N81-Y204 HydrophobicContact CB-CE1 4.09Å; N81-Y204 HydrophobicContact CB-CG 4.35Å; N81-Y204 CarbonylContact O-C 3.51Å; N81-Y204 WeakPolarHBondContact O-CA 2.94Å; N81-E205 PolarHBondContact O-N 3.46Å; N81-W241 PolarHBondContact OD1-NE1 2.92Å; N81-W241 VanDerWaalsContact OD1-NE1 3.17Å
82	L	98.5	Very high	85.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118	-177.1	-45.2	-176.8	0	0	0	109.3	R80 F84 F192 E205 F207 W241 I242 I244	R80-L82 HydrophobicContact CB-CD2 4.21Å; L82-F84 HydrophobicContact CB-CD2 4.31Å; L82-F84 HydrophobicContact CB-CE2 3.63Å; L82-F84 HydrophobicContact CB-CZ 4.32Å; L82-F84 HydrophobicContact CD1-CE2 4.21Å; L82-F84 HydrophobicContact CD1-CZ 4.43Å; L82-F192 HydrophobicContact CD1-CD1 4.01Å; L82-F192 HydrophobicContact CD1-CE1 3.93Å; L82-F192 HydrophobicContact CD1-CG 4.33Å; L82-F192 HydrophobicContact CD1-CZ 4.18Å; L82-E205 HydrophobicContact CD2-CB 4.1Å; L82-E205 HydrophobicContact CD2-CG 4.4Å; L82-F207 HydrophobicContact CB-CE2 4.27Å; L82-F207 HydrophobicContact CD2-CE2 4.02Å; L82-W241 WeakPolarHBondContact O-CA 3.34Å; L82-I242 PolarHBondContact N-O 3.38Å; L82-I242 PolarHBondContact O-N 3.12Å; L82-I244 HydrophobicContact CD1-CD1 3.76Å; L82-I244 HydrophobicContact CD1-CG1 4.49Å; L82-I244 HydrophobicContact CG-CD1 4.48Å
83	F	98.5	Very high	87.4	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.5	176.1	-66.5	-98.5	0	0	0	109.1	N81 L114 L117 F119 F121 Y204 E205 I206 F207 I239 T240 W241	N81-F83 HydrophobicContact CB-CE2 3.82Å; F83-L114 HydrophobicContact CD1-CD2 3.8Å; F83-L114 HydrophobicContact CE1-CD2 4.35Å; F83-L114 HydrophobicContact CG-CD2 4.34Å; F83-L117 HydrophobicContact CE1-CD1 3.92Å; F83-L117 HydrophobicContact CZ-CD1 4.47Å; F83-F119 AromaticContact CZ-CD2 3.98Å; F83-F119 HydrophobicContact CZ-CD2 3.98Å; F83-F119 AromaticContact CZ-CE2 3.95Å; F83-F119 HydrophobicContact CZ-CE2 3.95Å; F83-F121 AromaticContact CD2-CE1 3.94Å; F83-F121 HydrophobicContact CD2-CE1 3.94Å; F83-F121 HydrophobicContact CE2-CE1 4.12Å; F83-F121 HydrophobicContact CG-CE1 4.31Å; F83-Y204 AromaticContact CE2-CD1 3.88Å; F83-Y204 HydrophobicContact CE2-CD1 3.88Å; F83-Y204 HydrophobicContact CZ-CD1 4.35Å; F83-E205 PolarHBondContact N-O 3.13Å; F83-I206 HydrophobicContact CB-CG1 4.35Å; F83-I206 CarbonylContact O-C 3.5Å; F83-I206 WeakPolarHBondContact O-CA 3.48Å; F83-F207 PolarHBondContact O-N 3.18Å; F83-I239 HydrophobicContact CD1-CG2 3.9Å; F83-T240 CarbonylContact C-O 3.14Å; F83-T240 WeakPolarHBondContact CA-O 3.41Å; F83-W241 HydrophobicContact CD1-CB 4.17Å; F83-W241 HydrophobicContact CD1-CD2 4.41Å; F83-W241 HydrophobicContact CD1-CG 4.13Å; F83-W241 HydrophobicContact CE1-CB 4.12Å; F83-W241 AromaticContact CE1-CD2 3.52Å; F83-W241 HydrophobicContact CE1-CD2 3.52Å; F83-W241 AromaticContact CE1-CE2 3.96Å; F83-W241 AromaticContact CE1-CE3 3.72Å; F83-W241 HydrophobicContact CE1-CE3 3.72Å; F83-W241 AromaticContact CE1-CG 3.7Å; F83-W241 HydrophobicContact CE1-CG 3.7Å; F83-W241 HydrophobicContact CE1-CZ3 4.29Å; F83-W241 HydrophobicContact CE2-CD2 4.44Å; F83-W241 HydrophobicContact CE2-CG 4.48Å; F83-W241 AromaticContact CE2-NE1 3.96Å; F83-W241 AromaticContact CZ-CD1 3.91Å; F83-W241 AromaticContact CZ-CD2 3.54Å; F83-W241 HydrophobicContact CZ-CD2 3.54Å; F83-W241 AromaticContact CZ-CE2 3.44Å; F83-W241 VanDerWaalsContact CZ-CE2 3.44Å; F83-W241 AromaticContact CZ-CE3 3.97Å; F83-W241 HydrophobicContact CZ-CE3 3.97Å; F83-W241 AromaticContact CZ-CG 3.9Å; F83-W241 HydrophobicContact CZ-CG 3.9Å; F83-W241 HydrophobicContact CZ-CH2 4.19Å; F83-W241 AromaticContact CZ-CZ2 3.8Å; F83-W241 HydrophobicContact CZ-CZ2 3.8Å; F83-W241 HydrophobicContact CZ-CZ3 4.27Å; F83-W241 AromaticContact CZ-NE1 3.73Å
84	F	98.8	Very high	88.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.3	173.7	-68.9	-85.3	0	0	0	110.1	L82 F192 F207 I214 F217 T240 I242	L82-F84 HydrophobicContact CB-CD2 4.31Å; L82-F84 HydrophobicContact CB-CE2 3.63Å; L82-F84 HydrophobicContact CB-CZ 4.32Å; L82-F84 HydrophobicContact CD1-CE2 4.21Å; L82-F84 HydrophobicContact CD1-CZ 4.43Å; F84-F192 HydrophobicContact CD2-CZ 4.45Å; F84-F192 HydrophobicContact CE1-CE2 4.28Å; F84-F192 HydrophobicContact CE1-CZ 4.46Å; F84-F192 HydrophobicContact CE2-CE1 4.24Å; F84-F192 AromaticContact CE2-CE2 3.91Å; F84-F192 HydrophobicContact CE2-CE2 3.91Å; F84-F192 AromaticContact CE2-CZ 3.36Å; F84-F192 HydrophobicContact CE2-CZ 3.36Å; F84-F192 AromaticContact CZ-CE2 3.39Å; F84-F192 HydrophobicContact CZ-CE2 3.39Å; F84-F192 AromaticContact CZ-CZ 3.38Å; F84-F192 HydrophobicContact CZ-CZ 3.38Å; F84-F207 CarbonylContact C-O 3.59Å; F84-F207 WeakPolarHBondContact CA-O 3.49Å; F84-F207 HydrophobicContact CD1-CB 3.44Å; F84-F207 VanDerWaalsContact CD1-CB 3.44Å; F84-F207 HydrophobicContact CD1-CD2 4.32Å; F84-F207 HydrophobicContact CD1-CG 4.06Å; F84-F207 HydrophobicContact CE1-CB 3.51Å; F84-F207 HydrophobicContact CE1-CD1 4.32Å; F84-F207 AromaticContact CE1-CD2 3.85Å; F84-F207 HydrophobicContact CE1-CD2 3.85Å; F84-F207 AromaticContact CE1-CG 3.63Å; F84-F207 HydrophobicContact CE1-CG 3.63Å; F84-F207 HydrophobicContact CE2-CD2 4.4Å; F84-F207 HydrophobicContact CG-CB 4.27Å; F84-F207 HydrophobicContact CZ-CB 4.39Å; F84-F207 AromaticContact CZ-CD2 3.88Å; F84-F207 HydrophobicContact CZ-CD2 3.88Å; F84-F207 HydrophobicContact CZ-CE2 4.42Å; F84-F207 HydrophobicContact CZ-CG 4.12Å; F84-I214 HydrophobicContact CB-CD1 4.02Å; F84-I214 HydrophobicContact CB-CG1 3.94Å; F84-I214 HydrophobicContact CB-CG2 4.14Å; F84-I214 HydrophobicContact CD1-CG1 4.39Å; F84-I214 HydrophobicContact CG-CG1 4.46Å; F84-F217 HydrophobicContact CD1-CD2 4.06Å; F84-F217 HydrophobicContact CD1-CE2 4.37Å; F84-F217 AromaticContact CE1-CD2 3.52Å; F84-F217 HydrophobicContact CE1-CD2 3.52Å; F84-F217 AromaticContact CE1-CE2 3.67Å; F84-F217 HydrophobicContact CE1-CE2 3.67Å; F84-F217 AromaticContact CZ-CD2 3.87Å; F84-F217 HydrophobicContact CZ-CD2 3.87Å; F84-F217 HydrophobicContact CZ-CE2 4.26Å; F84-T240 PolarHBondContact N-O 3.42Å; F84-T240 PolarHBondContact O-N 3.07Å; F84-I242 HydrophobicContact CD2-CD1 4.44Å; F84-I242 HydrophobicContact CE2-CD1 4.38Å
85	V	98.8	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.6	177.6	176.6	0	0	0	0	108.6	L114 M139 F207 V208 C209 S238 I239	V85-L114 HydrophobicContact CG2-CD1 4.12Å; V85-M139 HydrophobicContact CB-CE 4.32Å; V85-M139 HydrophobicContact CG1-CE 4.18Å; V85-M139 HydrophobicContact CG1-SD 3.97Å; V85-M139 HydrophobicContact CG2-CE 3.85Å; V85-F207 PolarHBondContact N-O 3.44Å; V85-V208 HydrophobicContact CB-CG2 4.17Å; V85-V208 CarbonylContact O-C 3.55Å; V85-V208 WeakPolarHBondContact O-CA 3.41Å; V85-C209 PolarHBondContact O-N 2.79Å; V85-S238 WeakPolarHBondContact CA-O 3.39Å; V85-I239 HydrophobicContact CG2-CG1 4.32Å
86	R	98.8	Very high	91.2	Very high	24 Å²	24	49.4 Å²	49.4	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	139.7	169.1	-173.8	-177.8	174	-162.7	-6.6	108.8	I214 I234 A235 C237 S238 Y268	R86-I214 HydrophobicContact CB-CD1 4.16Å; R86-I234 HydrophobicContact CB-CD1 4.44Å; R86-I234 PolarHBondContact NH1-O 3.37Å; R86-A235 WeakPolarHBondContact CD-O 3.35Å; R86-C237 WeakPolarHBondContact O-CA 3.42Å; R86-C237 PolarHBondContact O-N 2.96Å; R86-S238 PolarHBondContact N-O 3.46Å; R86-Y268 PolarHBondContact NH1-OXT 2.9Å; R86-Y268 PolarHBondContact NH2-OXT 3.4Å
87	H	98.7	Very high	92.6	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.019	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-51.7	155.4	173.1	67.8	74.9	0	0	0	113	Y90 R131 A132 C209 H210 N236 C237	H87-Y90 AromaticContact CE1-CD1 3.29Å; H87-Y90 WeakPolarHBondContact CE1-CD1 3.26Å; H87-Y90 AromaticContact CE1-CE1 3.32Å; H87-Y90 WeakPolarHBondContact CE1-CE1 3.44Å; H87-Y90 AromaticContact ND1-CD1 3.69Å; H87-R131 HydrophobicContact CB-CB 4.31Å; H87-R131 HydrophobicContact CB-CG 4.11Å; H87-R131 PolarHBondContact CD2-NE 3.09Å; H87-R131 VanDerWaalsContact CE1-CD 3.49Å; H87-R131 WeakPolarHBondContact CE1-CD 3.3Å; H87-R131 PolarHBondContact NE2-NE 2.86Å; H87-R131 VanDerWaalsContact NE2-NE 3.18Å; H87-A132 HydrophobicContact CB-CB 4.37Å; H87-C209 PolarHBondContact CD2-O 3.16Å; H87-C209 PolarHBondContact N-O 3.27Å; H87-H210 AromaticContact CD2-CE1 3.93Å; H87-H210 AromaticContact CD2-ND1 3.22Å; H87-H210 PolarHBondContact CD2-ND1 2.92Å; H87-H210 AromaticContact NE2-ND1 3.71Å; H87-N236 WeakPolarHBondContact O-CA 3.43Å; H87-N236 PolarHBondContact O-ND2 3.29Å; H87-C237 PolarHBondContact O-N 3.38Å
88	G	98.6	Very high	93.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-66	169.2	174.5	0	0	0	0	0	112.9	L99 T135 N236 C237	G88-L99 WeakPolarHBondContact O-CD2 3.29Å; G88-T135 PolarHBondContact N-OG1 2.96Å; G88-N236 VanDerWaalsContact C-ND2 3.33Å; G88-N236 PolarHBondContact O-ND2 2.95Å; G88-C237 WeakPolarHBondContact CA-SG 3.47Å; G88-C237 PolarHBondContact N-SG 3.44Å; G88-C237 VanDerWaalsContact N-SG 3.4Å
89	E	98.5	Very high	93.8	Very high	51 Å²	51	46.7 Å²	46.7	24%	0.238	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-55.7	140.5	174.4	-173	-175.1	-95	0	0	111.3	L99 T100 G103 N236 T267	E89-L99 VanDerWaalsContact O-CA 3.28Å; E89-L99 WeakPolarHBondContact O-CA 3.43Å; E89-L99 VanDerWaalsContact O-CD2 3.26Å; E89-L99 WeakPolarHBondContact O-CD2 3.34Å; E89-T100 HydrophobicContact CG-CG2 4.03Å; E89-T100 PolarHBondContact O-N 3.18Å; E89-T100 WeakPolarHBondContact OE2-CB 3.33Å; E89-T100 PolarHBondContact OE2-OG1 2.52Å; E89-G103 WeakPolarHBondContact O-CA 3.3Å; E89-N236 PolarHBondContact N-ND2 3.45Å; E89-T267 WeakPolarHBondContact OE1-CB 3.29Å; E89-T267 VanDerWaalsContact OE1-CG2 3.28Å; E89-T267 WeakPolarHBondContact OE1-CG2 3.39Å; E89-T267 PolarHBondContact OE1-OG1 3.32Å
90	Y	98.2	Very high	93.9	Very high	48 Å²	48	47.3 Å²	47.3	19%	0.188	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-145.3	154.4	-172.4	77.6	-73.3	0	0	0	110.7	H87 T92 K97 K98 R131	H87-Y90 AromaticContact CE1-CD1 3.29Å; H87-Y90 WeakPolarHBondContact CE1-CD1 3.26Å; H87-Y90 AromaticContact CE1-CE1 3.32Å; H87-Y90 WeakPolarHBondContact CE1-CE1 3.44Å; H87-Y90 AromaticContact ND1-CD1 3.69Å; Y90-T92 HydrophobicContact CE1-CG2 4.33Å; Y90-T92 HydrophobicContact CE2-CG2 4.26Å; Y90-T92 PolarHBondContact O-N 2.94Å; Y90-K97 HydrophobicContact CD2-CB 3.82Å; Y90-K97 HydrophobicContact CD2-CG 4.45Å; Y90-K97 HydrophobicContact CE2-CB 3.96Å; Y90-K97 HydrophobicContact CE2-CD 4.09Å; Y90-K97 HydrophobicContact CE2-CG 4.21Å; Y90-K98 CarbonylContact C-O 3.54Å; Y90-K98 WeakPolarHBondContact CA-O 3.41Å; Y90-K98 VanDerWaalsContact CB-O 3.22Å; Y90-K98 WeakPolarHBondContact CB-O 3.41Å; Y90-R131 HydrophobicContact CD2-CB 4.34Å; Y90-R131 HydrophobicContact CG-CB 4.02Å; Y90-R131 HydrophobicContact CG-CG 4.43Å
91	Y	96.5	Very high	93.9	Very high	112 Å²	112	52.4 Å²	52.4	44%	0.439	27%	0.267	S	S	.	.			trans	-65.8	121.9	173.8	-63.3	-74.4	0	0	0	109.7	K98 T100	Y91-K98 PolarHBondContact N-O 3.11Å; Y91-T100 HydrophobicContact CD1-CG2 4.07Å; Y91-T100 HydrophobicContact CD2-CG2 4.17Å; Y91-T100 HydrophobicContact CE1-CG2 3.92Å; Y91-T100 HydrophobicContact CE2-CG2 4.04Å; Y91-T100 HydrophobicContact CG-CG2 4.19Å
92	T	91.1	Very high	93.9	Very high	102 Å²	102	54.3 Å²	54.3	63%	0.626	28%	0.278	S	S	*	.			trans	-86.3	-23.7	-176.6	56.8	0	0	0	0	112.4	Y90	Y90-T92 HydrophobicContact CE1-CG2 4.33Å; Y90-T92 HydrophobicContact CE2-CG2 4.26Å; Y90-T92 PolarHBondContact O-N 2.94Å
93	D	86.2	Confident	93.9	Very high	114 Å²	114	54.3 Å²	54.3	61%	0.61	28%	0.278	S	S	*	.	S	Bend	trans	-86.8	160.4	174.3	61.5	-29.2	0	0	0	112.2
94	G	77	Confident	93.9	Very high	63 Å²	63	58.1 Å²	58.1	65%	0.649	29%	0.292	S	S	*	.	S	Bend	trans	78.9	177.8	179.1	0	0	0	0	0	115.3
95	K	76.9	Confident	93.9	Very high	204 Å²	204	63.3 Å²	63.3	89%	0.887	31%	0.314	S	S	*	.	S	Bend	trans	-78.2	-32.8	178.2	-66.6	-176.2	179.8	179.6	0	111.7	K97	K95-K97 PolarHBondContact O-N 2.97Å
96	D	77.2	Confident	93.9	Very high	90 Å²	90	63.3 Å²	63.3	48%	0.481	31%	0.314	S	S	.	.			trans	-94.4	90.9	-175.2	-77.3	9.1	0	0	0	110.5	K98	D96-K98 HydrophobicContact CB-CD 4.11Å; D96-K98 HydrophobicContact CB-CG 4.13Å; D96-K98 PolarHBondContact O-N 3.22Å; D96-K98 WeakPolarHBondContact OD2-CE 3.42Å; D96-K98 IonicContact OD2-NZ 4Å; D96-K98 PolarHBondContact OD2-NZ 2.63Å
97	K	91.2	Very high	93.9	Very high	84 Å²	84	62.1 Å²	62.1	37%	0.365	31%	0.31	S	S	.	.			trans	-79.7	57.3	179	-67	-173.2	173	-161.8	0	111.5	Y90 K95 R131	Y90-K97 HydrophobicContact CD2-CB 3.82Å; Y90-K97 HydrophobicContact CD2-CG 4.45Å; Y90-K97 HydrophobicContact CE2-CB 3.96Å; Y90-K97 HydrophobicContact CE2-CD 4.09Å; Y90-K97 HydrophobicContact CE2-CG 4.21Å; K95-K97 PolarHBondContact O-N 2.97Å; K97-R131 WeakPolarHBondContact O-CB 3.39Å; K97-R131 PolarHBondContact O-N 2.81Å
98	K	96.1	Very high	93.9	Very high	78 Å²	78	66.2 Å²	66.2	34%	0.339	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-81.2	158.9	-178.4	-67.1	177.5	174.2	154.6	0	112	Y90 Y91 D96 Q130 E134	Y90-K98 CarbonylContact C-O 3.54Å; Y90-K98 WeakPolarHBondContact CA-O 3.41Å; Y90-K98 VanDerWaalsContact CB-O 3.22Å; Y90-K98 WeakPolarHBondContact CB-O 3.41Å; Y91-K98 PolarHBondContact N-O 3.11Å; D96-K98 HydrophobicContact CB-CD 4.11Å; D96-K98 HydrophobicContact CB-CG 4.13Å; D96-K98 PolarHBondContact O-N 3.22Å; D96-K98 WeakPolarHBondContact OD2-CE 3.42Å; D96-K98 IonicContact OD2-NZ 4Å; D96-K98 PolarHBondContact OD2-NZ 2.63Å; K98-Q130 HydrophobicContact CG-CG 4.18Å; K98-E134 WeakPolarHBondContact CG-OE1 3.17Å
99	L	98.2	Very high	93.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-63.5	144.9	173.9	-63	-177.9	0	0	0	111.8	G88 E89 R104 R131 E134 I138	G88-L99 WeakPolarHBondContact O-CD2 3.29Å; E89-L99 VanDerWaalsContact O-CA 3.28Å; E89-L99 WeakPolarHBondContact O-CA 3.43Å; E89-L99 VanDerWaalsContact O-CD2 3.26Å; E89-L99 WeakPolarHBondContact O-CD2 3.34Å; L99-R104 HydrophobicContact CB-CG 4.13Å; L99-R104 HydrophobicContact CD1-CG 4.31Å; L99-R104 PolarHBondContact O-NH1 2.99Å; L99-R104 VanDerWaalsContact O-NH1 3.17Å; L99-R104 PolarHBondContact O-NH2 3.42Å; L99-R131 HydrophobicContact CD2-CB 4.15Å; L99-E134 WeakPolarHBondContact CB-OE2 3.28Å; L99-E134 HydrophobicContact CD1-CB 3.67Å; L99-E134 HydrophobicContact CG-CB 3.77Å; L99-E134 PolarHBondContact N-OE2 2.92Å; L99-I138 HydrophobicContact CD1-CD1 4.02Å
100	T	97.8	Very high	93.8	Very high	14 Å²	14	65.7 Å²	65.7	9%	0.086	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-74.8	168.3	163.8	68.5	0	0	0	0	109.6	E89 Y91 L102 G103 R104	E89-T100 HydrophobicContact CG-CG2 4.03Å; E89-T100 PolarHBondContact O-N 3.18Å; E89-T100 WeakPolarHBondContact OE2-CB 3.33Å; E89-T100 PolarHBondContact OE2-OG1 2.52Å; Y91-T100 HydrophobicContact CD1-CG2 4.07Å; Y91-T100 HydrophobicContact CD2-CG2 4.17Å; Y91-T100 HydrophobicContact CE1-CG2 3.92Å; Y91-T100 HydrophobicContact CE2-CG2 4.04Å; Y91-T100 HydrophobicContact CG-CG2 4.19Å; T100-L102 PolarHBondContact O-N 2.92Å; T100-L102 PolarHBondContact OG1-N 3.37Å; T100-G103 PolarHBondContact O-N 3.18Å; T100-G103 VanDerWaalsContact O-N 3.11Å; T100-G103 PolarHBondContact OG1-N 3.46Å; T100-R104 WeakPolarHBondContact O-CG 3.46Å; T100-R104 PolarHBondContact O-N 2.97Å; T100-R104 PolarHBondContact O-NH1 3.06Å
101	D	97.9	Very high	93.8	Very high	107 Å²	107	63.4 Å²	63.4	57%	0.572	32%	0.319	S	S	*	.	H	α-helix	trans	-64.2	-31.9	174	-66.5	-22.8	0	0	0	112.1	R104 K105	D101-R104 PolarHBondContact O-N 3.06Å; D101-R104 IonicContact OD1-CZ 3.78Å; D101-R104 IonicContact OD1-NH1 3.6Å; D101-R104 PolarHBondContact OD1-NH1 3.13Å; D101-K105 WeakPolarHBondContact O-CG 3.35Å; D101-K105 PolarHBondContact O-N 2.89Å
102	L	98.5	Very high	93.8	Very high	45 Å²	45	62.8 Å²	62.8	24%	0.236	32%	0.32	C	S	.	.	H	α-helix	trans	-65.2	-44	170.4	177.8	58.6	0	0	0	110.9	T100 R104 K105 Q106 M265 T267	T100-L102 PolarHBondContact O-N 2.92Å; T100-L102 PolarHBondContact OG1-N 3.37Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 2.81Å; L102-K105 PolarHBondContact O-N 3.47Å; L102-K105 VanDerWaalsContact O-N 3.16Å; L102-Q106 HydrophobicContact CD1-CG 4.33Å; L102-Q106 HydrophobicContact CG-CG 4.38Å; L102-Q106 VanDerWaalsContact O-CG 3.32Å; L102-Q106 WeakPolarHBondContact O-CG 3.41Å; L102-Q106 PolarHBondContact O-N 3.21Å; L102-M265 HydrophobicContact CD1-CB 3.91Å; L102-M265 HydrophobicContact CD1-CG 3.88Å; L102-T267 HydrophobicContact CD2-CG2 3.87Å
103	G	98.6	Very high	94.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-34.2	176.4	0	0	0	0	0	114.3	E89 T100 A107	E89-G103 WeakPolarHBondContact O-CA 3.3Å; T100-G103 PolarHBondContact O-N 3.18Å; T100-G103 VanDerWaalsContact O-N 3.11Å; T100-G103 PolarHBondContact OG1-N 3.46Å; G103-A107 PolarHBondContact O-N 2.75Å; G103-A107 VanDerWaalsContact O-N 3.13Å
104	R	98.5	Very high	94.6	Very high	81 Å²	81	57.2 Å²	57.2	31%	0.306	28%	0.279	S	S	.	.	H	α-helix	trans	-66	-48.8	172.7	-64.9	-177.9	-177.7	79	23.5	111.5	L99 T100 D101 L102 Q106 A107 E108 E134 I138	L99-R104 HydrophobicContact CB-CG 4.13Å; L99-R104 HydrophobicContact CD1-CG 4.31Å; L99-R104 PolarHBondContact O-NH1 2.99Å; L99-R104 VanDerWaalsContact O-NH1 3.17Å; L99-R104 PolarHBondContact O-NH2 3.42Å; T100-R104 WeakPolarHBondContact O-CG 3.46Å; T100-R104 PolarHBondContact O-N 2.97Å; T100-R104 PolarHBondContact O-NH1 3.06Å; D101-R104 PolarHBondContact O-N 3.06Å; D101-R104 IonicContact OD1-CZ 3.78Å; D101-R104 IonicContact OD1-NH1 3.6Å; D101-R104 PolarHBondContact OD1-NH1 3.13Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 2.81Å; R104-Q106 VanDerWaalsContact C-N 3.34Å; R104-Q106 PolarHBondContact O-N 3.38Å; R104-A107 WeakPolarHBondContact O-CB 3.45Å; R104-A107 PolarHBondContact O-N 3.28Å; R104-A107 VanDerWaalsContact O-N 3.07Å; R104-E108 PolarHBondContact O-N 2.86Å; R104-E134 IonicContact NH2-OE2 2.84Å; R104-I138 HydrophobicContact CB-CD1 3.89Å; R104-I138 HydrophobicContact CG-CD1 3.84Å
105	K	98.5	Very high	95.5	Very high	108 Å²	108	60.3 Å²	60.3	47%	0.47	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-40.5	176.3	-69.1	174.4	-179.3	176.3	0	112.6	D101 L102 A107 E108 L109	D101-K105 WeakPolarHBondContact O-CG 3.35Å; D101-K105 PolarHBondContact O-N 2.89Å; L102-K105 PolarHBondContact O-N 3.47Å; L102-K105 VanDerWaalsContact O-N 3.16Å; K105-A107 VanDerWaalsContact C-N 3.29Å; K105-A107 PolarHBondContact O-N 2.96Å; K105-E108 PolarHBondContact O-N 3.05Å; K105-L109 WeakPolarHBondContact O-CG 3.39Å; K105-L109 PolarHBondContact O-N 2.96Å
106	Q	98.8	Very high	96.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-41.4	173.5	-74.6	172.2	-14.5	0	0	111.6	L102 R104 C110 C237 M261 M265 T267	L102-Q106 HydrophobicContact CD1-CG 4.33Å; L102-Q106 HydrophobicContact CG-CG 4.38Å; L102-Q106 VanDerWaalsContact O-CG 3.32Å; L102-Q106 WeakPolarHBondContact O-CG 3.41Å; L102-Q106 PolarHBondContact O-N 3.21Å; R104-Q106 VanDerWaalsContact C-N 3.34Å; R104-Q106 PolarHBondContact O-N 3.38Å; Q106-C110 WeakPolarHBondContact O-CB 3.48Å; Q106-C110 PolarHBondContact O-N 3.05Å; Q106-C237 HydrophobicContact CB-CB 3.9Å; Q106-C237 WeakPolarHBondContact O-CB 3.37Å; Q106-M261 HydrophobicContact CB-CE 4.38Å; Q106-M261 HydrophobicContact CB-SD 4.42Å; Q106-M261 HydrophobicContact CG-SD 4.15Å; Q106-M265 PolarHBondContact NE2-O 2.82Å; Q106-T267 PolarHBondContact NE2-OG1 3.31Å
107	A	98.6	Very high	97.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-40.1	177.6	0	0	0	0	0	112.3	G103 R104 K105 C110 A111 T135 I138 C237	G103-A107 PolarHBondContact O-N 2.75Å; G103-A107 VanDerWaalsContact O-N 3.13Å; R104-A107 WeakPolarHBondContact O-CB 3.45Å; R104-A107 PolarHBondContact O-N 3.28Å; R104-A107 VanDerWaalsContact O-N 3.07Å; K105-A107 VanDerWaalsContact C-N 3.29Å; K105-A107 PolarHBondContact O-N 2.96Å; A107-C110 PolarHBondContact O-N 3.39Å; A107-A111 WeakPolarHBondContact O-CB 3.31Å; A107-A111 PolarHBondContact O-N 2.93Å; A107-T135 HydrophobicContact CB-CG2 3.94Å; A107-I138 HydrophobicContact CB-CB 4.09Å; A107-I138 HydrophobicContact CB-CD1 4.09Å; A107-I138 HydrophobicContact CB-CG2 3.87Å; A107-C237 VanDerWaalsContact CA-SG 3.53Å; A107-C237 PolarHBondContact N-SG 2.91Å
108	E	98.1	Very high	97.4	Very high	90 Å²	90	52.8 Å²	52.8	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-49.8	173.7	-68.7	166.6	178.9	0	0	111.5	R104 K105 C110 A111 E112 I138	R104-E108 PolarHBondContact O-N 2.86Å; K105-E108 PolarHBondContact O-N 3.05Å; E108-C110 VanDerWaalsContact C-N 3.31Å; E108-C110 PolarHBondContact O-N 3.48Å; E108-A111 WeakPolarHBondContact O-CB 3.13Å; E108-A111 PolarHBondContact O-N 3.42Å; E108-A111 VanDerWaalsContact O-N 3.12Å; E108-E112 PolarHBondContact O-N 3.33Å; E108-I138 HydrophobicContact CG-CG2 3.69Å
109	L	98.3	Very high	97.3	Very high	40 Å²	40	52 Å²	52	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-39.1	177.5	-70.8	170.7	0	0	0	112.3	K105 R113 F260 M261 M265	K105-L109 WeakPolarHBondContact O-CG 3.39Å; K105-L109 PolarHBondContact O-N 2.96Å; L109-R113 WeakPolarHBondContact O-CB 3.39Å; L109-R113 PolarHBondContact O-N 3.17Å; L109-F260 HydrophobicContact CB-CD2 4.16Å; L109-F260 HydrophobicContact CB-CE2 4.2Å; L109-F260 WeakPolarHBondContact O-CD2 3.46Å; L109-M261 HydrophobicContact CB-CG 4.43Å; L109-M261 HydrophobicContact CD1-CB 4.48Å; L109-M261 HydrophobicContact CD1-CG 4.24Å; L109-M265 HydrophobicContact CD1-SD 3.8Å
110	C	98.5	Very high	97.1	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-40	175.4	-178.2	0	0	0	0	111.8	Q106 A107 E108 R113 L114 C237 F260	Q106-C110 WeakPolarHBondContact O-CB 3.48Å; Q106-C110 PolarHBondContact O-N 3.05Å; A107-C110 PolarHBondContact O-N 3.39Å; E108-C110 VanDerWaalsContact C-N 3.31Å; E108-C110 PolarHBondContact O-N 3.48Å; C110-R113 PolarHBondContact O-N 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.29Å; C110-L114 PolarHBondContact O-N 3.41Å; C110-C237 HydrophobicContact CB-CB 4.02Å; C110-F260 VanDerWaalsContact CA-CE2 3.41Å; C110-F260 HydrophobicContact CB-CE2 3.95Å; C110-F260 HydrophobicContact CB-CZ 3.96Å
111	A	97.5	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-46.8	177.6	0	0	0	0	0	111.2	A107 E108 R113 L114 F115 M139 F142 M143	A107-A111 WeakPolarHBondContact O-CB 3.31Å; A107-A111 PolarHBondContact O-N 2.93Å; E108-A111 WeakPolarHBondContact O-CB 3.13Å; E108-A111 PolarHBondContact O-N 3.42Å; E108-A111 VanDerWaalsContact O-N 3.12Å; A111-R113 VanDerWaalsContact C-N 3.35Å; A111-R113 PolarHBondContact O-N 3.12Å; A111-L114 PolarHBondContact O-N 3.08Å; A111-F115 WeakPolarHBondContact O-CB 3.29Å; A111-F115 PolarHBondContact O-N 3.41Å; A111-M139 HydrophobicContact CB-CB 4.17Å; A111-M139 HydrophobicContact CB-CG 4Å; A111-F142 HydrophobicContact CB-CB 3.87Å; A111-F142 HydrophobicContact CB-CD1 4.41Å; A111-F142 HydrophobicContact CB-CD2 3.45Å; A111-F142 VanDerWaalsContact CB-CD2 3.45Å; A111-F142 HydrophobicContact CB-CE2 4.08Å; A111-F142 HydrophobicContact CB-CG 3.65Å; A111-M143 VanDerWaalsContact O-CE 3.23Å; A111-M143 WeakPolarHBondContact O-CE 3.22Å
112	E	97	Very high	96.6	Very high	98 Å²	98	53.4 Å²	53.4	46%	0.458	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-44.7	174.6	-178.8	178.5	-167.9	0	0	111.3	E108 L114 F115 N116	E108-E112 PolarHBondContact O-N 3.33Å; E112-L114 PolarHBondContact O-N 2.92Å; E112-F115 PolarHBondContact O-N 3.12Å; E112-N116 WeakPolarHBondContact CG-ND2 2.96Å; E112-N116 WeakPolarHBondContact O-CB 3.38Å; E112-N116 PolarHBondContact O-N 3.39Å; E112-N116 PolarHBondContact O-ND2 3.31Å
113	R	97.8	Very high	96.5	Very high	99 Å²	99	52.8 Å²	52.8	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-57.3	-50.6	176.4	174.2	57.9	171.6	168.2	-2	111.7	L109 C110 A111 N116 L117 I239 F260	L109-R113 WeakPolarHBondContact O-CB 3.39Å; L109-R113 PolarHBondContact O-N 3.17Å; C110-R113 PolarHBondContact O-N 3.3Å; A111-R113 VanDerWaalsContact C-N 3.35Å; A111-R113 PolarHBondContact O-N 3.12Å; R113-N116 PolarHBondContact O-N 3.2Å; R113-L117 PolarHBondContact O-N 2.98Å; R113-I239 HydrophobicContact CB-CD1 4.39Å; R113-I239 HydrophobicContact CG-CD1 3.82Å; R113-F260 HydrophobicContact CB-CB 4.07Å; R113-F260 HydrophobicContact CB-CD1 4.01Å; R113-F260 HydrophobicContact CB-CD2 3.81Å; R113-F260 HydrophobicContact CB-CE1 4.36Å; R113-F260 HydrophobicContact CB-CE2 4.21Å; R113-F260 HydrophobicContact CB-CG 3.69Å; R113-F260 HydrophobicContact CB-CZ 4.45Å; R113-F260 HydrophobicContact CG-CB 3.99Å; R113-F260 HydrophobicContact CG-CD1 3.57Å; R113-F260 HydrophobicContact CG-CD2 4.3Å; R113-F260 HydrophobicContact CG-CE1 4.03Å; R113-F260 HydrophobicContact CG-CG 3.69Å
114	L	96.8	Very high	96.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.4	-75.3	172.6	0	0	0	111.6	F83 V85 C110 A111 E112 N116 L117 F121 M139 M143 I206 I239	F83-L114 HydrophobicContact CD1-CD2 3.8Å; F83-L114 HydrophobicContact CE1-CD2 4.35Å; F83-L114 HydrophobicContact CG-CD2 4.34Å; V85-L114 HydrophobicContact CG2-CD1 4.12Å; C110-L114 WeakPolarHBondContact O-CG 3.29Å; C110-L114 PolarHBondContact O-N 3.41Å; A111-L114 PolarHBondContact O-N 3.08Å; E112-L114 PolarHBondContact O-N 2.92Å; L114-N116 VanDerWaalsContact C-N 3.34Å; L114-L117 HydrophobicContact CD2-CD1 3.98Å; L114-L117 WeakPolarHBondContact O-CB 3.22Å; L114-L117 PolarHBondContact O-N 3.17Å; L114-F121 HydrophobicContact CB-CE2 4.18Å; L114-F121 HydrophobicContact CB-CZ 3.99Å; L114-F121 HydrophobicContact CD2-CE1 4.44Å; L114-F121 HydrophobicContact CD2-CZ 3.97Å; L114-F121 HydrophobicContact CG-CZ 4.49Å; L114-F121 WeakPolarHBondContact O-CE2 3.08Å; L114-M139 HydrophobicContact CD1-CE 3.48Å; L114-M139 VanDerWaalsContact CD1-CE 3.48Å; L114-M143 HydrophobicContact CB-CE 3.28Å; L114-M143 HydrophobicContact CD1-CE 4.19Å; L114-M143 HydrophobicContact CG-CE 4.39Å; L114-I206 HydrophobicContact CD1-CD1 4.07Å; L114-I239 HydrophobicContact CD2-CD1 3.84Å; L114-I239 HydrophobicContact CD2-CG1 4.5Å; L114-I239 HydrophobicContact CD2-CG2 4.33Å; L114-I239 HydrophobicContact CG-CD1 3.85Å
115	F	94.8	Very high	96.3	Very high	129 Å²	129	49 Å²	49	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-60.6	-45.1	174.8	177.5	-95.7	0	0	0	111.1	A111 E112 L117 G118 F142 M143	A111-F115 WeakPolarHBondContact O-CB 3.29Å; A111-F115 PolarHBondContact O-N 3.41Å; E112-F115 PolarHBondContact O-N 3.12Å; F115-L117 PolarHBondContact O-N 2.98Å; F115-G118 PolarHBondContact O-N 3.25Å; F115-F142 WeakPolarHBondContact CD2-O 3.39Å; F115-M143 HydrophobicContact CB-CE 4.43Å
116	N	95.5	Very high	96.3	Very high	102 Å²	102	43.9 Å²	43.9	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-68.7	-11.2	179.3	-71.9	-22.7	0	0	0	114.1	E112 R113 L114 G118	E112-N116 WeakPolarHBondContact CG-ND2 2.96Å; E112-N116 WeakPolarHBondContact O-CB 3.38Å; E112-N116 PolarHBondContact O-N 3.39Å; E112-N116 PolarHBondContact O-ND2 3.31Å; R113-N116 PolarHBondContact O-N 3.2Å; L114-N116 VanDerWaalsContact C-N 3.34Å; N116-G118 PolarHBondContact O-N 2.93Å
117	L	95.3	Very high	96.3	Very high	50 Å²	50	43.9 Å²	43.9	26%	0.262	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.1	169.3	-64.4	176.3	0	0	0	112.3	F83 R113 L114 F115 F119	F83-L117 HydrophobicContact CE1-CD1 3.92Å; F83-L117 HydrophobicContact CZ-CD1 4.47Å; R113-L117 PolarHBondContact O-N 2.98Å; L114-L117 HydrophobicContact CD2-CD1 3.98Å; L114-L117 WeakPolarHBondContact O-CB 3.22Å; L114-L117 PolarHBondContact O-N 3.17Å; F115-L117 PolarHBondContact O-N 2.98Å; L117-F119 HydrophobicContact CB-CD2 3.62Å; L117-F119 HydrophobicContact CB-CE2 3.8Å; L117-F119 HydrophobicContact CB-CG 4.41Å; L117-F119 HydrophobicContact CD1-CD2 4.08Å; L117-F119 HydrophobicContact CD1-CE2 4.02Å; L117-F119 HydrophobicContact CG-CD2 4.46Å; L117-F119 HydrophobicContact CG-CE2 4.38Å; L117-F119 PolarHBondContact O-N 3.36Å
118	G	94.2	Very high	96.2	Very high	68 Å²	68	48.5 Å²	48.5	70%	0.701	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	13.4	177.2	0	0	0	0	0	114.6	F115 N116	F115-G118 PolarHBondContact O-N 3.25Å; N116-G118 PolarHBondContact O-N 2.93Å
119	F	94.1	Very high	96.1	Very high	61 Å²	61	48.3 Å²	48.3	27%	0.268	24%	0.242	S	C	.	.			trans	-79.8	143.3	174.9	-60.6	-49.2	0	0	0	111.4	F83 L117 F121 Y204 W241	F83-F119 AromaticContact CZ-CD2 3.98Å; F83-F119 HydrophobicContact CZ-CD2 3.98Å; F83-F119 AromaticContact CZ-CE2 3.95Å; F83-F119 HydrophobicContact CZ-CE2 3.95Å; L117-F119 HydrophobicContact CB-CD2 3.62Å; L117-F119 HydrophobicContact CB-CE2 3.8Å; L117-F119 HydrophobicContact CB-CG 4.41Å; L117-F119 HydrophobicContact CD1-CD2 4.08Å; L117-F119 HydrophobicContact CD1-CE2 4.02Å; L117-F119 HydrophobicContact CG-CD2 4.46Å; L117-F119 HydrophobicContact CG-CE2 4.38Å; L117-F119 PolarHBondContact O-N 3.36Å; F119-F121 HydrophobicContact CB-CE2 4.48Å; F119-F121 HydrophobicContact CB-CZ 4.31Å; F119-F121 PolarHBondContact O-N 2.95Å; F119-Y204 HydrophobicContact CB-CD1 3.7Å; F119-Y204 HydrophobicContact CB-CD2 4.24Å; F119-Y204 HydrophobicContact CB-CE1 4.12Å; F119-Y204 HydrophobicContact CB-CG 3.79Å; F119-Y204 AromaticContact CD1-CD1 3.71Å; F119-Y204 HydrophobicContact CD1-CD1 3.71Å; F119-Y204 AromaticContact CD1-CE1 3.2Å; F119-Y204 HydrophobicContact CD1-CE1 3.2Å; F119-Y204 HydrophobicContact CD1-CE2 4.16Å; F119-Y204 HydrophobicContact CD1-CG 4.39Å; F119-Y204 AromaticContact CD1-CZ 3.47Å; F119-Y204 VanDerWaalsContact CD1-CZ 3.47Å; F119-Y204 AromaticContact CD2-CD1 3.67Å; F119-Y204 HydrophobicContact CD2-CD1 3.67Å; F119-Y204 AromaticContact CD2-CE1 3.83Å; F119-Y204 HydrophobicContact CD2-CE1 3.83Å; F119-Y204 HydrophobicContact CE1-CD1 4.24Å; F119-Y204 AromaticContact CE1-CE1 3.42Å; F119-Y204 HydrophobicContact CE1-CE1 3.42Å; F119-Y204 VanDerWaalsContact CE1-CE1 3.42Å; F119-Y204 AromaticContact CE1-CZ 3.78Å; F119-Y204 HydrophobicContact CE2-CD1 4.21Å; F119-Y204 HydrophobicContact CE2-CE1 4Å; F119-Y204 AromaticContact CG-CD1 3.41Å; F119-Y204 HydrophobicContact CG-CD1 3.41Å; F119-Y204 VanDerWaalsContact CG-CD1 3.41Å; F119-Y204 AromaticContact CG-CE1 3.44Å; F119-Y204 HydrophobicContact CG-CE1 3.44Å; F119-Y204 VanDerWaalsContact CG-CE1 3.44Å; F119-Y204 HydrophobicContact CG-CG 4.03Å; F119-Y204 HydrophobicContact CZ-CD1 4.48Å; F119-Y204 AromaticContact CZ-CE1 3.82Å; F119-Y204 HydrophobicContact CZ-CE1 3.82Å; F119-W241 AromaticContact CE2-CH2 3.74Å; F119-W241 HydrophobicContact CE2-CH2 3.74Å; F119-W241 HydrophobicContact CE2-CZ2 4.24Å; F119-W241 HydrophobicContact CE2-CZ3 4.3Å; F119-W241 AromaticContact CZ-CH2 3.76Å; F119-W241 HydrophobicContact CZ-CH2 3.76Å; F119-W241 HydrophobicContact CZ-CZ2 4.31Å
120	H	93.5	Very high	96	Very high	106 Å²	106	49.8 Å²	49.8	49%	0.491	25%	0.248	S	C	.	.			trans	-83.1	103.8	166.5	-176.5	63.2	0	0	0	109.1	T122 D146	H120-T122 PolarHBondContact O-N 3.5Å; H120-D146 IonicContact CD2-OD2 3.75Å; H120-D146 PolarHBondContact CD2-OD2 3.28Å; H120-D146 IonicContact CE1-OD1 2.94Å; H120-D146 PolarHBondContact CE1-OD1 3.21Å; H120-D146 IonicContact CE1-OD2 2.76Å; H120-D146 IonicContact NE2-OD1 3.82Å; H120-D146 PolarHBondContact NE2-OD1 3.41Å; H120-D146 IonicContact NE2-OD2 3.22Å; H120-D146 PolarHBondContact NE2-OD2 3.38Å
121	F	94	Very high	96	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.044	25%	0.251	C	S	.	.			trans	-74.6	118.8	180	-66.4	-76.8	0	0	0	110.1	F83 L114 F119 M143 P145 Y204 I206	F83-F121 AromaticContact CD2-CE1 3.94Å; F83-F121 HydrophobicContact CD2-CE1 3.94Å; F83-F121 HydrophobicContact CE2-CE1 4.12Å; F83-F121 HydrophobicContact CG-CE1 4.31Å; L114-F121 HydrophobicContact CB-CE2 4.18Å; L114-F121 HydrophobicContact CB-CZ 3.99Å; L114-F121 HydrophobicContact CD2-CE1 4.44Å; L114-F121 HydrophobicContact CD2-CZ 3.97Å; L114-F121 HydrophobicContact CG-CZ 4.49Å; L114-F121 WeakPolarHBondContact O-CE2 3.08Å; F119-F121 HydrophobicContact CB-CE2 4.48Å; F119-F121 HydrophobicContact CB-CZ 4.31Å; F119-F121 PolarHBondContact O-N 2.95Å; F121-M143 HydrophobicContact CD2-SD 3.6Å; F121-M143 HydrophobicContact CE2-CE 4.26Å; F121-M143 HydrophobicContact CE2-SD 3.76Å; F121-P145 WeakPolarHBondContact O-CA 3.48Å; F121-Y204 CarbonylContact C-O 3.56Å; F121-Y204 WeakPolarHBondContact CA-O 3.26Å; F121-I206 HydrophobicContact CB-CD1 4.19Å; F121-I206 HydrophobicContact CD1-CD1 3.51Å; F121-I206 HydrophobicContact CD1-CG1 3.47Å; F121-I206 VanDerWaalsContact CD1-CG1 3.47Å; F121-I206 HydrophobicContact CD2-CD1 3.9Å; F121-I206 HydrophobicContact CE1-CD1 3.76Å; F121-I206 HydrophobicContact CE1-CG1 3.71Å; F121-I206 HydrophobicContact CE2-CD1 4.13Å; F121-I206 HydrophobicContact CG-CD1 3.59Å; F121-I206 HydrophobicContact CG-CG1 4.04Å; F121-I206 HydrophobicContact CZ-CD1 4.06Å; F121-I206 HydrophobicContact CZ-CG1 4.45Å
122	T	92.7	Very high	96	Very high	34 Å²	34	50.7 Å²	50.7	21%	0.209	25%	0.251	C	S	.	.			trans	-85.2	-24.6	-175.9	56.9	0	0	0	0	112.4	H120 D147 Y204	H120-T122 PolarHBondContact O-N 3.5Å; T122-D147 PolarHBondContact O-N 3.25Å; T122-D147 VanDerWaalsContact O-N 3.16Å; T122-Y204 PolarHBondContact N-O 3.25Å; T122-Y204 PolarHBondContact OG1-O 2.84Å
123	R	94.9	Very high	96	Very high	33 Å²	33	47.6 Å²	47.6	13%	0.125	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144	-175.8	-166.2	179.3	-174.3	172.1	9.9	112.3	V125 D147 E205 I206	R123-V125 HydrophobicContact CG-CG2 4.08Å; R123-D147 HydrophobicContact CG-CB 4.48Å; R123-E205 HydrophobicContact CB-CB 4.08Å; R123-E205 HydrophobicContact CB-CG 3.84Å; R123-E205 WeakPolarHBondContact O-CA 3.47Å; R123-I206 PolarHBondContact O-N 3.29Å
124	F	96.5	Very high	96	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.5	172.9	-161	-32.8	0	0	0	109.9	A136 M139 M143 P145 F149 Q150 I206 V208	F124-A136 HydrophobicContact CE1-CB 3.83Å; F124-A136 HydrophobicContact CZ-CB 4.11Å; F124-M139 HydrophobicContact CE2-CB 4.05Å; F124-M139 HydrophobicContact CZ-CB 3.81Å; F124-M139 HydrophobicContact CZ-CE 4.31Å; F124-M139 HydrophobicContact CZ-SD 4.41Å; F124-M143 HydrophobicContact CD2-CB 4.19Å; F124-M143 HydrophobicContact CD2-CG 4.35Å; F124-M143 HydrophobicContact CE2-CB 4.25Å; F124-M143 HydrophobicContact CE2-CG 4.04Å; F124-P145 HydrophobicContact CB-CB 4.16Å; F124-P145 HydrophobicContact CB-CG 3.98Å; F124-F149 HydrophobicContact CB-CD2 3.91Å; F124-F149 AromaticContact CD1-CD2 3.57Å; F124-F149 HydrophobicContact CD1-CD2 3.57Å; F124-F149 AromaticContact CD1-CE2 3.28Å; F124-F149 HydrophobicContact CD1-CE2 3.28Å; F124-F149 HydrophobicContact CD1-CZ 4.45Å; F124-F149 HydrophobicContact CD2-CD2 4.48Å; F124-F149 HydrophobicContact CE1-CD2 4.18Å; F124-F149 AromaticContact CE1-CE2 3.52Å; F124-F149 HydrophobicContact CE1-CE2 3.52Å; F124-F149 HydrophobicContact CE1-CZ 4.33Å; F124-F149 AromaticContact CG-CD2 3.74Å; F124-F149 HydrophobicContact CG-CD2 3.74Å; F124-F149 AromaticContact CG-CE2 3.94Å; F124-F149 HydrophobicContact CG-CE2 3.94Å; F124-F149 HydrophobicContact CZ-CE2 4.35Å; F124-F149 WeakPolarHBondContact O-CD2 3.46Å; F124-Q150 PolarHBondContact O-N 2.91Å; F124-Q150 VanDerWaalsContact O-N 3.1Å; F124-I206 WeakPolarHBondContact CA-O 3.26Å; F124-I206 HydrophobicContact CD1-CB 4.25Å; F124-I206 HydrophobicContact CD1-CG2 3.98Å; F124-I206 HydrophobicContact CD2-CB 4.41Å; F124-I206 HydrophobicContact CD2-CD1 4.31Å; F124-I206 HydrophobicContact CD2-CG2 4.42Å; F124-I206 HydrophobicContact CE1-CG2 3.82Å; F124-I206 HydrophobicContact CE2-CD1 4.41Å; F124-I206 HydrophobicContact CE2-CG2 4.26Å; F124-I206 HydrophobicContact CG-CB 4.18Å; F124-I206 HydrophobicContact CG-CG2 4.29Å; F124-I206 HydrophobicContact CZ-CG2 3.96Å; F124-V208 HydrophobicContact CE1-CB 4.43Å; F124-V208 HydrophobicContact CE1-CG2 3.54Å; F124-V208 HydrophobicContact CZ-CG2 3.9Å
125	V	97.6	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.9	174.9	-168.1	0	0	0	0	110.7	R123 Q150 D152 L155 Y191 I206 F207 V208	R123-V125 HydrophobicContact CG-CG2 4.08Å; V125-Q150 CarbonylContact C-O 3.54Å; V125-Q150 VanDerWaalsContact CA-O 3.29Å; V125-Q150 WeakPolarHBondContact CA-O 3.38Å; V125-Q150 HydrophobicContact CG1-CB 4.3Å; V125-Q150 HydrophobicContact CG2-CB 4.35Å; V125-D152 HydrophobicContact CG1-CB 4.02Å; V125-L155 HydrophobicContact CB-CD1 4.32Å; V125-L155 HydrophobicContact CG1-CD1 3.69Å; V125-Y191 WeakPolarHBondContact CG1-OH 3.37Å; V125-Y191 HydrophobicContact CG2-CE1 4.22Å; V125-I206 PolarHBondContact N-O 3.29Å; V125-F207 HydrophobicContact CB-CD1 3.81Å; V125-F207 HydrophobicContact CB-CE1 4.01Å; V125-F207 HydrophobicContact CG2-CD1 4.11Å; V125-F207 HydrophobicContact CG2-CE1 3.77Å; V125-F207 CarbonylContact O-C 3.57Å; V125-F207 VanDerWaalsContact O-CA 3.25Å; V125-F207 WeakPolarHBondContact O-CA 3.48Å; V125-V208 PolarHBondContact O-N 3.49Å
126	S	98.2	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.8	171.4	-170.9	0	0	0	0	112.2	A132 A136 Q150 Y151 D152 V208	S126-A132 PolarHBondContact OG-O 3.36Å; S126-A136 WeakPolarHBondContact OG-CB 3.1Å; S126-Q150 PolarHBondContact N-O 2.77Å; S126-Y151 CarbonylContact O-C 3.58Å; S126-Y151 VanDerWaalsContact O-CA 3.3Å; S126-Y151 WeakPolarHBondContact O-CA 3.1Å; S126-D152 PolarHBondContact O-N 3.3Å; S126-V208 CarbonylContact C-O 3.48Å; S126-V208 WeakPolarHBondContact CA-O 3.4Å; S126-V208 PolarHBondContact OG-O 2.99Å
127	S	98.2	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.			trans	-63.8	149	162.6	162.4	0	0	0	0	110.9	K129 V133 L155 N156 V208 H210	S127-K129 PolarHBondContact O-N 3.33Å; S127-K129 PolarHBondContact OG-N 3.43Å; S127-K129 VanDerWaalsContact OG-N 3.13Å; S127-V133 WeakPolarHBondContact O-CG2 3.33Å; S127-L155 WeakPolarHBondContact CB-O 3.41Å; S127-N156 WeakPolarHBondContact OG-CA 3.35Å; S127-N156 PolarHBondContact OG-OD1 3.08Å; S127-V208 PolarHBondContact N-O 3.11Å; S127-H210 VanDerWaalsContact CB-NE2 3.27Å; S127-H210 WeakPolarHBondContact CB-NE2 3.49Å; S127-H210 PolarHBondContact OG-NE2 3.26Å
128	E	97.1	Very high	96.3	Very high	97 Å²	97	35.5 Å²	35.5	45%	0.453	19%	0.186	S	C	.	.	S	Bend	trans	-75.3	-3.5	175.4	-66.9	170.5	-178.3	0	0	114.3	Q130 S153 N156	E128-Q130 PolarHBondContact O-N 2.93Å; E128-S153 VanDerWaalsContact CD-N 3.29Å; E128-S153 PolarHBondContact OE1-N 3.33Å; E128-S153 VanDerWaalsContact OE1-N 3.1Å; E128-S153 WeakPolarHBondContact OE2-CA 3.36Å; E128-S153 WeakPolarHBondContact OE2-CB 3.28Å; E128-N156 PolarHBondContact N-OD1 3.47Å; E128-N156 VanDerWaalsContact N-OD1 3.1Å
129	K	95.8	Very high	96.4	Very high	86 Å²	86	32.2 Å²	32.2	37%	0.374	15%	0.153	S	C	.	.	S	Bend	trans	-69.3	132.9	175.5	-68.3	-60.7	-178.6	-173.6	0	109.5	S127 R131 A132 V133 N156 H210	S127-K129 PolarHBondContact O-N 3.33Å; S127-K129 PolarHBondContact OG-N 3.43Å; S127-K129 VanDerWaalsContact OG-N 3.13Å; K129-R131 PolarHBondContact O-N 2.85Å; K129-R131 VanDerWaalsContact O-N 3.16Å; K129-A132 WeakPolarHBondContact O-CA 3.47Å; K129-A132 WeakPolarHBondContact O-CB 3.3Å; K129-A132 PolarHBondContact O-N 2.61Å; K129-V133 PolarHBondContact O-N 2.92Å; K129-N156 HydrophobicContact CG-CB 4.21Å; K129-N156 PolarHBondContact N-OD1 2.87Å; K129-H210 VanDerWaalsContact CB-CE1 3.49Å; K129-H210 WeakPolarHBondContact CB-CE1 3.4Å
130	Q	96.5	Very high	96.3	Very high	71 Å²	71	31.4 Å²	31.4	33%	0.332	16%	0.155	S	C	.	.	H	α-helix	trans	-43.1	-53.5	-175.8	-176.4	164.1	23.5	0	0	115.1	K98 E128 A132 V133 E134	K98-Q130 HydrophobicContact CG-CG 4.18Å; E128-Q130 PolarHBondContact O-N 2.93Å; Q130-A132 VanDerWaalsContact C-N 3.29Å; Q130-A132 PolarHBondContact O-N 3.39Å; Q130-V133 WeakPolarHBondContact O-CB 3.25Å; Q130-V133 PolarHBondContact O-N 3.17Å; Q130-V133 VanDerWaalsContact O-N 3.11Å; Q130-E134 HydrophobicContact CG-CG 4.49Å; Q130-E134 PolarHBondContact O-N 3.34Å
131	R	97.8	Very high	96.1	Very high	19 Å²	19	33.7 Å²	33.7	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-53.5	-38.8	174.5	61.3	-167.7	-177	-88.7	-1.9	114.6	H87 Y90 K97 L99 K129 T135 H210	H87-R131 HydrophobicContact CB-CB 4.31Å; H87-R131 HydrophobicContact CB-CG 4.11Å; H87-R131 PolarHBondContact CD2-NE 3.09Å; H87-R131 VanDerWaalsContact CE1-CD 3.49Å; H87-R131 WeakPolarHBondContact CE1-CD 3.3Å; H87-R131 PolarHBondContact NE2-NE 2.86Å; H87-R131 VanDerWaalsContact NE2-NE 3.18Å; Y90-R131 HydrophobicContact CD2-CB 4.34Å; Y90-R131 HydrophobicContact CG-CB 4.02Å; Y90-R131 HydrophobicContact CG-CG 4.43Å; K97-R131 WeakPolarHBondContact O-CB 3.39Å; K97-R131 PolarHBondContact O-N 2.81Å; L99-R131 HydrophobicContact CD2-CB 4.15Å; K129-R131 PolarHBondContact O-N 2.85Å; K129-R131 VanDerWaalsContact O-N 3.16Å; R131-T135 WeakPolarHBondContact O-CB 3.43Å; R131-T135 PolarHBondContact O-N 3.2Å; R131-T135 VanDerWaalsContact O-N 3.1Å; R131-T135 PolarHBondContact O-OG1 3.1Å; R131-H210 PolarHBondContact NE-ND1 3.33Å; R131-H210 PolarHBondContact NH2-CE1 3.4Å; R131-H210 PolarHBondContact NH2-ND1 2.91Å
132	A	98.1	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-75.3	-36.8	177.1	0	0	0	0	0	111.8	H87 S126 K129 Q130 A136 V208	H87-A132 HydrophobicContact CB-CB 4.37Å; S126-A132 PolarHBondContact OG-O 3.36Å; K129-A132 WeakPolarHBondContact O-CA 3.47Å; K129-A132 WeakPolarHBondContact O-CB 3.3Å; K129-A132 PolarHBondContact O-N 2.61Å; Q130-A132 VanDerWaalsContact C-N 3.29Å; Q130-A132 PolarHBondContact O-N 3.39Å; A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.22Å; A132-V208 HydrophobicContact CB-CG1 4.22Å; A132-V208 WeakPolarHBondContact O-CG1 3.23Å
133	V	97	Very high	95.3	Very high	33 Å²	33	36.1 Å²	36.1	20%	0.2	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-48.5	173.2	173.9	0	0	0	0	110.8	S127 K129 Q130 A136 N137 Y151	S127-V133 WeakPolarHBondContact O-CG2 3.33Å; K129-V133 PolarHBondContact O-N 2.92Å; Q130-V133 WeakPolarHBondContact O-CB 3.25Å; Q130-V133 PolarHBondContact O-N 3.17Å; Q130-V133 VanDerWaalsContact O-N 3.11Å; V133-A136 PolarHBondContact O-N 3.4Å; V133-N137 WeakPolarHBondContact O-CB 3.02Å; V133-N137 PolarHBondContact O-N 2.78Å; V133-N137 PolarHBondContact O-ND2 3.46Å; V133-Y151 HydrophobicContact CB-CE1 4.22Å; V133-Y151 HydrophobicContact CG1-CE1 3.87Å; V133-Y151 HydrophobicContact CG2-CD1 3.97Å; V133-Y151 HydrophobicContact CG2-CE1 3.81Å
134	E	97.5	Very high	94.6	Very high	38 Å²	38	43.7 Å²	43.7	18%	0.178	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-43.9	178.4	-72.9	-177.2	-170.6	0	0	112	K98 L99 R104 Q130 A136 N137 I138	K98-E134 WeakPolarHBondContact CG-OE1 3.17Å; L99-E134 WeakPolarHBondContact CB-OE2 3.28Å; L99-E134 HydrophobicContact CD1-CB 3.67Å; L99-E134 HydrophobicContact CG-CB 3.77Å; L99-E134 PolarHBondContact N-OE2 2.92Å; R104-E134 IonicContact NH2-OE2 2.84Å; Q130-E134 HydrophobicContact CG-CG 4.49Å; Q130-E134 PolarHBondContact O-N 3.34Å; E134-A136 PolarHBondContact O-N 2.85Å; E134-N137 PolarHBondContact O-N 3.33Å; E134-I138 WeakPolarHBondContact O-CG1 3.34Å; E134-I138 PolarHBondContact O-N 2.98Å; E134-I138 VanDerWaalsContact O-N 3.13Å
135	T	98.4	Very high	93.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-47.5	174.9	-64.1	0	0	0	0	111.1	G88 A107 R131 N137 I138 M139 V208	G88-T135 PolarHBondContact N-OG1 2.96Å; A107-T135 HydrophobicContact CB-CG2 3.94Å; R131-T135 WeakPolarHBondContact O-CB 3.43Å; R131-T135 PolarHBondContact O-N 3.2Å; R131-T135 VanDerWaalsContact O-N 3.1Å; R131-T135 PolarHBondContact O-OG1 3.1Å; T135-N137 PolarHBondContact O-N 2.82Å; T135-I138 PolarHBondContact O-N 3.48Å; T135-M139 HydrophobicContact CG2-CG 4.44Å; T135-M139 HydrophobicContact CG2-SD 3.77Å; T135-M139 VanDerWaalsContact O-CG 3.31Å; T135-M139 WeakPolarHBondContact O-CG 3.21Å; T135-M139 PolarHBondContact O-N 3.44Å; T135-V208 HydrophobicContact CG2-CG1 3.87Å
136	A	97.2	Very high	92.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-35.3	-178.4	0	0	0	0	0	112.6	F124 S126 A132 V133 E134 M139 S140 F149 V208	F124-A136 HydrophobicContact CE1-CB 3.83Å; F124-A136 HydrophobicContact CZ-CB 4.11Å; S126-A136 WeakPolarHBondContact OG-CB 3.1Å; A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.22Å; V133-A136 PolarHBondContact O-N 3.4Å; E134-A136 PolarHBondContact O-N 2.85Å; A136-M139 PolarHBondContact O-N 2.82Å; A136-S140 VanDerWaalsContact O-CB 3.27Å; A136-S140 WeakPolarHBondContact O-CB 3.3Å; A136-S140 PolarHBondContact O-N 3.42Å; A136-F149 HydrophobicContact CB-CE1 4.33Å; A136-F149 HydrophobicContact CB-CE2 3.94Å; A136-F149 HydrophobicContact CB-CZ 3.37Å; A136-V208 HydrophobicContact CB-CB 4.01Å; A136-V208 HydrophobicContact CB-CG1 4.18Å; A136-V208 HydrophobicContact CB-CG2 3.98Å
137	N	95.8	Very high	91.8	Very high	65 Å²	65	53.8 Å²	53.8	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-44.8	173.8	-76.3	-18.4	0	0	0	111.7	V133 E134 T135 S140 Y151	V133-N137 WeakPolarHBondContact O-CB 3.02Å; V133-N137 PolarHBondContact O-N 2.78Å; V133-N137 PolarHBondContact O-ND2 3.46Å; E134-N137 PolarHBondContact O-N 3.33Å; T135-N137 PolarHBondContact O-N 2.82Å; N137-S140 PolarHBondContact O-N 2.83Å; N137-S140 PolarHBondContact O-OG 2.86Å; N137-Y151 PolarHBondContact OD1-OH 2.61Å
138	I	96.8	Very high	91.2	Very high	23 Å²	23	62.7 Å²	62.7	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-50.7	175.1	-67.6	166.8	0	0	0	110.1	L99 R104 A107 E108 E134 T135 S140 Q141 F142	L99-I138 HydrophobicContact CD1-CD1 4.02Å; R104-I138 HydrophobicContact CB-CD1 3.89Å; R104-I138 HydrophobicContact CG-CD1 3.84Å; A107-I138 HydrophobicContact CB-CB 4.09Å; A107-I138 HydrophobicContact CB-CD1 4.09Å; A107-I138 HydrophobicContact CB-CG2 3.87Å; E108-I138 HydrophobicContact CG-CG2 3.69Å; E134-I138 WeakPolarHBondContact O-CG1 3.34Å; E134-I138 PolarHBondContact O-N 2.98Å; E134-I138 VanDerWaalsContact O-N 3.13Å; T135-I138 PolarHBondContact O-N 3.48Å; I138-S140 VanDerWaalsContact C-N 3.27Å; I138-S140 PolarHBondContact O-N 2.83Å; I138-Q141 WeakPolarHBondContact O-CB 3.21Å; I138-Q141 PolarHBondContact O-N 2.73Å; I138-F142 WeakPolarHBondContact O-CD2 3.38Å
139	M	96.3	Very high	90.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-35.3	179.8	-67.7	172.5	70.3	0	0	112.8	V85 A111 L114 F124 T135 A136 Q141 F142 M143 I206 V208	V85-M139 HydrophobicContact CB-CE 4.32Å; V85-M139 HydrophobicContact CG1-CE 4.18Å; V85-M139 HydrophobicContact CG1-SD 3.97Å; V85-M139 HydrophobicContact CG2-CE 3.85Å; A111-M139 HydrophobicContact CB-CB 4.17Å; A111-M139 HydrophobicContact CB-CG 4Å; L114-M139 HydrophobicContact CD1-CE 3.48Å; L114-M139 VanDerWaalsContact CD1-CE 3.48Å; F124-M139 HydrophobicContact CE2-CB 4.05Å; F124-M139 HydrophobicContact CZ-CB 3.81Å; F124-M139 HydrophobicContact CZ-CE 4.31Å; F124-M139 HydrophobicContact CZ-SD 4.41Å; T135-M139 HydrophobicContact CG2-CG 4.44Å; T135-M139 HydrophobicContact CG2-SD 3.77Å; T135-M139 VanDerWaalsContact O-CG 3.31Å; T135-M139 WeakPolarHBondContact O-CG 3.21Å; T135-M139 PolarHBondContact O-N 3.44Å; A136-M139 PolarHBondContact O-N 2.82Å; M139-Q141 PolarHBondContact O-N 3.42Å; M139-Q141 VanDerWaalsContact O-N 3.15Å; M139-F142 PolarHBondContact O-N 3.07Å; M139-M143 WeakPolarHBondContact O-CG 3.32Å; M139-M143 PolarHBondContact O-N 3.08Å; M139-I206 HydrophobicContact CE-CG2 4.23Å; M139-V208 HydrophobicContact CE-CG2 4.22Å; M139-V208 HydrophobicContact SD-CG2 3.69Å
140	S	92.4	Very high	90.7	Very high	43 Å²	43	59.4 Å²	59.4	30%	0.301	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-20.8	-179.7	76.2	0	0	0	0	113.3	A136 N137 I138 F142 M143	A136-S140 VanDerWaalsContact O-CB 3.27Å; A136-S140 WeakPolarHBondContact O-CB 3.3Å; A136-S140 PolarHBondContact O-N 3.42Å; N137-S140 PolarHBondContact O-N 2.83Å; N137-S140 PolarHBondContact O-OG 2.86Å; I138-S140 VanDerWaalsContact C-N 3.27Å; I138-S140 PolarHBondContact O-N 2.83Å; S140-F142 PolarHBondContact O-N 2.88Å; S140-M143 PolarHBondContact O-N 2.73Å
141	Q	89.7	Confident	90.7	Very high	155 Å²	155	60.8 Å²	60.8	72%	0.724	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.7	175.5	-62.1	177.5	-14.7	0	0	112.7	I138 M139	I138-Q141 WeakPolarHBondContact O-CB 3.21Å; I138-Q141 PolarHBondContact O-N 2.73Å; M139-Q141 PolarHBondContact O-N 3.42Å; M139-Q141 VanDerWaalsContact O-N 3.15Å
142	F	87.8	Confident	90.7	Very high	82 Å²	82	60.3 Å²	60.3	36%	0.36	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-13.2	179.5	-62.2	-99.2	0	0	0	112.6	A111 F115 I138 M139 S140	A111-F142 HydrophobicContact CB-CB 3.87Å; A111-F142 HydrophobicContact CB-CD1 4.41Å; A111-F142 HydrophobicContact CB-CD2 3.45Å; A111-F142 VanDerWaalsContact CB-CD2 3.45Å; A111-F142 HydrophobicContact CB-CE2 4.08Å; A111-F142 HydrophobicContact CB-CG 3.65Å; F115-F142 WeakPolarHBondContact CD2-O 3.39Å; I138-F142 WeakPolarHBondContact O-CD2 3.38Å; M139-F142 PolarHBondContact O-N 3.07Å; S140-F142 PolarHBondContact O-N 2.88Å
143	M	83	Confident	90.7	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.059	31%	0.305	C	S	.	.			trans	-110.8	141.3	-173.5	-59.1	-60.9	164.5	0	0	110.7	A111 L114 F115 F121 F124 M139 S140 P145 I206	A111-M143 VanDerWaalsContact O-CE 3.23Å; A111-M143 WeakPolarHBondContact O-CE 3.22Å; L114-M143 HydrophobicContact CB-CE 3.28Å; L114-M143 HydrophobicContact CD1-CE 4.19Å; L114-M143 HydrophobicContact CG-CE 4.39Å; F115-M143 HydrophobicContact CB-CE 4.43Å; F121-M143 HydrophobicContact CD2-SD 3.6Å; F121-M143 HydrophobicContact CE2-CE 4.26Å; F121-M143 HydrophobicContact CE2-SD 3.76Å; F124-M143 HydrophobicContact CD2-CB 4.19Å; F124-M143 HydrophobicContact CD2-CG 4.35Å; F124-M143 HydrophobicContact CE2-CB 4.25Å; F124-M143 HydrophobicContact CE2-CG 4.04Å; M139-M143 WeakPolarHBondContact O-CG 3.32Å; M139-M143 PolarHBondContact O-N 3.08Å; S140-M143 PolarHBondContact O-N 2.73Å; M143-P145 WeakPolarHBondContact O-CD 3.46Å; M143-I206 HydrophobicContact CE-CD1 4.41Å; M143-I206 HydrophobicContact CG-CD1 4.21Å; M143-I206 HydrophobicContact SD-CD1 4.11Å
144	K	79.9	Confident	90.7	Very high	193 Å²	193	62.9 Å²	62.9	84%	0.839	31%	0.305	S	S	*	.			trans	-122.2	74.1	171	-66.2	-177.2	-178.5	178.7	0	109.6
145	P	76.6	Confident	90.7	Very high	33 Å²	33	61 Å²	61	21%	0.214	30%	0.297	C	S	.	.			trans	-68.1	149.3	-179.9	29.6	-34.3	0	0	0	111.9	F121 F124 M143	F121-P145 WeakPolarHBondContact O-CA 3.48Å; F124-P145 HydrophobicContact CB-CB 4.16Å; F124-P145 HydrophobicContact CB-CG 3.98Å; M143-P145 WeakPolarHBondContact O-CD 3.46Å
146	D	77.9	Confident	90.7	Very high	103 Å²	103	62.1 Å²	62.1	55%	0.551	30%	0.302	S	S	*	.	S	Bend	trans	-62.8	-48.4	174.2	-67.6	-33.3	0	0	0	111.2	H120	H120-D146 IonicContact CD2-OD2 3.75Å; H120-D146 PolarHBondContact CD2-OD2 3.28Å; H120-D146 IonicContact CE1-OD1 2.94Å; H120-D146 PolarHBondContact CE1-OD1 3.21Å; H120-D146 IonicContact CE1-OD2 2.76Å; H120-D146 IonicContact NE2-OD1 3.82Å; H120-D146 PolarHBondContact NE2-OD1 3.41Å; H120-D146 IonicContact NE2-OD2 3.22Å; H120-D146 PolarHBondContact NE2-OD2 3.38Å
147	D	79.2	Confident	90.6	Very high	76 Å²	76	63.4 Å²	63.4	41%	0.406	31%	0.308	S	S	.	.	S	Bend	trans	-74.9	148.3	177.3	-76.3	-19.8	0	0	0	111.7	T122 R123 F149	T122-D147 PolarHBondContact O-N 3.25Å; T122-D147 VanDerWaalsContact O-N 3.16Å; R123-D147 HydrophobicContact CG-CB 4.48Å; D147-F149 PolarHBondContact O-N 2.97Å
148	K	83.8	Confident	90.4	Very high	187 Å²	187	60.3 Å²	60.3	81%	0.813	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-55.6	134.4	167.1	-69.9	-175.9	179.6	178.7	0	109.9	Q150	K148-Q150 WeakPolarHBondContact O-CG 3.23Å; K148-Q150 PolarHBondContact O-N 3.36Å; K148-Q150 PolarHBondContact O-NE2 3.21Å
149	F	89.2	Confident	90.2	Very high	55 Å²	55	59.3 Å²	59.3	24%	0.241	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-55.8	125.5	172.8	-178.2	-131.8	0	0	0	110.3	F124 A136 D147 Y151	F124-F149 HydrophobicContact CB-CD2 3.91Å; F124-F149 AromaticContact CD1-CD2 3.57Å; F124-F149 HydrophobicContact CD1-CD2 3.57Å; F124-F149 AromaticContact CD1-CE2 3.28Å; F124-F149 HydrophobicContact CD1-CE2 3.28Å; F124-F149 HydrophobicContact CD1-CZ 4.45Å; F124-F149 HydrophobicContact CD2-CD2 4.48Å; F124-F149 HydrophobicContact CE1-CD2 4.18Å; F124-F149 AromaticContact CE1-CE2 3.52Å; F124-F149 HydrophobicContact CE1-CE2 3.52Å; F124-F149 HydrophobicContact CE1-CZ 4.33Å; F124-F149 AromaticContact CG-CD2 3.74Å; F124-F149 HydrophobicContact CG-CD2 3.74Å; F124-F149 AromaticContact CG-CE2 3.94Å; F124-F149 HydrophobicContact CG-CE2 3.94Å; F124-F149 HydrophobicContact CZ-CE2 4.35Å; F124-F149 WeakPolarHBondContact O-CD2 3.46Å; A136-F149 HydrophobicContact CB-CE1 4.33Å; A136-F149 HydrophobicContact CB-CE2 3.94Å; A136-F149 HydrophobicContact CB-CZ 3.37Å; D147-F149 PolarHBondContact O-N 2.97Å; F149-Y151 HydrophobicContact CD1-CE1 4.5Å; F149-Y151 HydrophobicContact CD1-CE2 4.33Å; F149-Y151 AromaticContact CD1-CZ 3.99Å; F149-Y151 HydrophobicContact CE1-CD1 4.47Å; F149-Y151 AromaticContact CE1-CE1 3.55Å; F149-Y151 HydrophobicContact CE1-CE1 3.55Å; F149-Y151 HydrophobicContact CE1-CE2 4.11Å; F149-Y151 AromaticContact CE1-CZ 3.36Å; F149-Y151 VanDerWaalsContact CE1-OH 3.23Å; F149-Y151 WeakPolarHBondContact CE1-OH 3.15Å; F149-Y151 HydrophobicContact CZ-CD1 4.34Å; F149-Y151 AromaticContact CZ-CE1 3.69Å; F149-Y151 HydrophobicContact CZ-CE1 3.69Å; F149-Y151 AromaticContact CZ-CZ 4Å
150	Q	94.2	Very high	90	Very high	59 Å²	59	59.4 Å²	59.4	28%	0.276	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.1	-171.8	-80.5	160.5	61	0	0	111.4	F124 V125 S126 K148	F124-Q150 PolarHBondContact O-N 2.91Å; F124-Q150 VanDerWaalsContact O-N 3.1Å; V125-Q150 CarbonylContact C-O 3.54Å; V125-Q150 VanDerWaalsContact CA-O 3.29Å; V125-Q150 WeakPolarHBondContact CA-O 3.38Å; V125-Q150 HydrophobicContact CG1-CB 4.3Å; V125-Q150 HydrophobicContact CG2-CB 4.35Å; S126-Q150 PolarHBondContact N-O 2.77Å; K148-Q150 WeakPolarHBondContact O-CG 3.23Å; K148-Q150 PolarHBondContact O-N 3.36Å; K148-Q150 PolarHBondContact O-NE2 3.21Å
151	Y	96.6	Very high	89.8	Confident	100 Å²	100	58 Å²	58	39%	0.392	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.5	167	-57.3	-79.5	0	0	0	109.4	S126 V133 N137 F149	S126-Y151 CarbonylContact O-C 3.58Å; S126-Y151 VanDerWaalsContact O-CA 3.3Å; S126-Y151 WeakPolarHBondContact O-CA 3.1Å; V133-Y151 HydrophobicContact CB-CE1 4.22Å; V133-Y151 HydrophobicContact CG1-CE1 3.87Å; V133-Y151 HydrophobicContact CG2-CD1 3.97Å; V133-Y151 HydrophobicContact CG2-CE1 3.81Å; N137-Y151 PolarHBondContact OD1-OH 2.61Å; F149-Y151 HydrophobicContact CD1-CE1 4.5Å; F149-Y151 HydrophobicContact CD1-CE2 4.33Å; F149-Y151 AromaticContact CD1-CZ 3.99Å; F149-Y151 HydrophobicContact CE1-CD1 4.47Å; F149-Y151 AromaticContact CE1-CE1 3.55Å; F149-Y151 HydrophobicContact CE1-CE1 3.55Å; F149-Y151 HydrophobicContact CE1-CE2 4.11Å; F149-Y151 AromaticContact CE1-CZ 3.36Å; F149-Y151 VanDerWaalsContact CE1-OH 3.23Å; F149-Y151 WeakPolarHBondContact CE1-OH 3.15Å; F149-Y151 HydrophobicContact CZ-CD1 4.34Å; F149-Y151 AromaticContact CZ-CE1 3.69Å; F149-Y151 HydrophobicContact CZ-CE1 3.69Å; F149-Y151 AromaticContact CZ-CZ 4Å
152	D	97.8	Very high	89.8	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.048	25%	0.251	C	S	.	.			trans	-134.4	116.5	177.1	-169.2	-3.4	0	0	0	112.1	V125 S126 L154 L155 R190 Y191	V125-D152 HydrophobicContact CG1-CB 4.02Å; S126-D152 PolarHBondContact O-N 3.3Å; D152-L154 PolarHBondContact O-N 2.85Å; D152-L154 WeakPolarHBondContact OD1-CB 3.43Å; D152-L154 WeakPolarHBondContact OD1-CG 3.31Å; D152-L154 PolarHBondContact OD1-N 3.3Å; D152-L155 HydrophobicContact CB-CD1 4.45Å; D152-L155 HydrophobicContact CB-CG 4.48Å; D152-L155 PolarHBondContact O-N 2.86Å; D152-L155 VanDerWaalsContact O-N 3.08Å; D152-R190 VanDerWaalsContact CG-NH1 3.29Å; D152-R190 IonicContact OD1-NH1 2.78Å; D152-R190 IonicContact OD2-CZ 3.47Å; D152-R190 IonicContact OD2-NE 3.63Å; D152-R190 IonicContact OD2-NH1 2.67Å; D152-R190 PolarHBondContact OD2-NH1 3.35Å; D152-Y191 WeakPolarHBondContact CB-OH 3.39Å; D152-Y191 PolarHBondContact OD2-OH 3.47Å
153	S	97.2	Very high	89.9	Confident	48 Å²	48	49 Å²	49	34%	0.336	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-54.4	-27.1	171.5	72.9	0	0	0	0	114	E128 L155 N156	E128-S153 VanDerWaalsContact CD-N 3.29Å; E128-S153 PolarHBondContact OE1-N 3.33Å; E128-S153 VanDerWaalsContact OE1-N 3.1Å; E128-S153 WeakPolarHBondContact OE2-CA 3.36Å; E128-S153 WeakPolarHBondContact OE2-CB 3.28Å; S153-L155 PolarHBondContact O-N 2.8Å; S153-N156 VanDerWaalsContact O-CB 3.23Å; S153-N156 WeakPolarHBondContact O-CB 3.37Å; S153-N156 VanDerWaalsContact O-CG 3.22Å; S153-N156 PolarHBondContact O-N 2.69Å; S153-N156 VanDerWaalsContact O-N 3.11Å; S153-N156 PolarHBondContact O-ND2 3.27Å
154	L	97.5	Very high	90.1	Very high	39 Å²	39	52.1 Å²	52.1	20%	0.204	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-62.3	-29.1	177.6	-64.7	-176.1	0	0	0	112	D152 N156 R183 A186 A187	D152-L154 PolarHBondContact O-N 2.85Å; D152-L154 WeakPolarHBondContact OD1-CB 3.43Å; D152-L154 WeakPolarHBondContact OD1-CG 3.31Å; D152-L154 PolarHBondContact OD1-N 3.3Å; L154-N156 VanDerWaalsContact C-N 3.31Å; L154-N156 PolarHBondContact O-N 3Å; L154-R183 HydrophobicContact CD2-CG 3.76Å; L154-R183 PolarHBondContact O-NH1 3.32Å; L154-A186 HydrophobicContact CD2-CB 4.4Å; L154-A187 HydrophobicContact CB-CB 3.78Å
155	L	98.1	Very high	90.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-83.7	0.5	178.4	-64.7	175.5	0	0	0	113.8	V125 S127 D152 S153 A187 Y191 F207 C209 H210 V213 F217	V125-L155 HydrophobicContact CB-CD1 4.32Å; V125-L155 HydrophobicContact CG1-CD1 3.69Å; S127-L155 WeakPolarHBondContact CB-O 3.41Å; D152-L155 HydrophobicContact CB-CD1 4.45Å; D152-L155 HydrophobicContact CB-CG 4.48Å; D152-L155 PolarHBondContact O-N 2.86Å; D152-L155 VanDerWaalsContact O-N 3.08Å; S153-L155 PolarHBondContact O-N 2.8Å; L155-A187 HydrophobicContact CD2-CB 4.26Å; L155-Y191 HydrophobicContact CD1-CE2 4.06Å; L155-Y191 HydrophobicContact CD2-CD2 4.06Å; L155-Y191 HydrophobicContact CD2-CE2 3.93Å; L155-Y191 HydrophobicContact CG-CE2 3.94Å; L155-F207 HydrophobicContact CD1-CD1 4.22Å; L155-C209 HydrophobicContact CB-CB 4.13Å; L155-H210 PolarHBondContact O-CD2 3Å; L155-V213 HydrophobicContact CD2-CG1 4.42Å; L155-F217 HydrophobicContact CD2-CE2 3.83Å; L155-F217 HydrophobicContact CD2-CZ 3.93Å
156	N	96.6	Very high	90.6	Very high	22 Å²	22	49.1 Å²	49.1	12%	0.118	25%	0.248	C	C	.	.	S	Bend	trans	-60.7	146.4	178.2	-72.6	-17.6	0	0	0	112.2	S127 E128 K129 S153 L154 R183	S127-N156 WeakPolarHBondContact OG-CA 3.35Å; S127-N156 PolarHBondContact OG-OD1 3.08Å; E128-N156 PolarHBondContact N-OD1 3.47Å; E128-N156 VanDerWaalsContact N-OD1 3.1Å; K129-N156 HydrophobicContact CG-CB 4.21Å; K129-N156 PolarHBondContact N-OD1 2.87Å; S153-N156 VanDerWaalsContact O-CB 3.23Å; S153-N156 WeakPolarHBondContact O-CB 3.37Å; S153-N156 VanDerWaalsContact O-CG 3.22Å; S153-N156 PolarHBondContact O-N 2.69Å; S153-N156 VanDerWaalsContact O-N 3.11Å; S153-N156 PolarHBondContact O-ND2 3.27Å; L154-N156 VanDerWaalsContact C-N 3.31Å; L154-N156 PolarHBondContact O-N 3Å; N156-R183 PolarHBondContact O-NH1 3.11Å; N156-R183 PolarHBondContact O-NH2 2.87Å
157	E	95.6	Very high	90.4	Very high	27 Å²	27	46 Å²	46	13%	0.126	23%	0.232	C	C	.	.			trans	-59	148.7	179.1	-168.4	58.8	-59.6	0	0	112	R183 H210 A211 N212 V213	E157-R183 PolarHBondContact O-NH2 3.28Å; E157-H210 HydrophobicContact CB-CB 3.76Å; E157-H210 HydrophobicContact CG-CB 3.89Å; E157-H210 PolarHBondContact N-CD2 3.17Å; E157-H210 VanDerWaalsContact N-CD2 3.26Å; E157-H210 WeakPolarHBondContact OE1-CB 3.43Å; E157-H210 WeakPolarHBondContact OE2-CB 3.29Å; E157-A211 PolarHBondContact OE2-N 2.95Å; E157-N212 WeakPolarHBondContact OE1-CB 3.36Å; E157-N212 PolarHBondContact OE1-N 2.75Å; E157-N212 PolarHBondContact OE2-N 3.42Å; E157-V213 PolarHBondContact OE1-N 2.68Å
158	G	93.1	Very high	89.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.			trans	-171.2	178.9	177.7	0	0	0	0	0	111.7	P160 N212	G158-P160 WeakPolarHBondContact O-CD 3.48Å; G158-N212 VanDerWaalsContact O-CB 3.24Å; G158-N212 WeakPolarHBondContact O-CB 3.24Å; G158-N212 PolarHBondContact O-ND2 3.32Å
159	C	91.3	Very high	89.3	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.02	24%	0.24	C	C	.	.			trans	-94.4	110.2	169.6	-168.3	0	0	0	0	109.6	W24 I170 F173 Y180	W24-C159 VanDerWaalsContact CH2-SG 3.58Å; C159-I170 WeakPolarHBondContact SG-CG2 3.15Å; C159-F173 HydrophobicContact CB-CD1 4.06Å; C159-F173 HydrophobicContact CB-CE1 4.38Å; C159-Y180 HydrophobicContact CB-CD2 4.14Å; C159-Y180 VanDerWaalsContact N-CD2 3.31Å; C159-Y180 WeakPolarHBondContact O-CB 3.28Å
160	P	91.9	Very high	88.4	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.013	23%	0.232	C	C	.	.			trans	-71.2	-54.5	-173.4	25.3	-31.8	0	0	0	112.3	G158 G181 I184 Y216 W229	G158-P160 WeakPolarHBondContact O-CD 3.48Å; P160-G181 WeakPolarHBondContact O-CA 3.44Å; P160-I184 HydrophobicContact CB-CB 4.48Å; P160-I184 HydrophobicContact CB-CD1 3.95Å; P160-I184 HydrophobicContact CB-CG2 4.22Å; P160-Y216 HydrophobicContact CB-CD1 4.24Å; P160-Y216 HydrophobicContact CB-CD2 3.43Å; P160-Y216 VanDerWaalsContact CB-CD2 3.43Å; P160-Y216 HydrophobicContact CB-CE2 4.03Å; P160-Y216 HydrophobicContact CB-CG 3.52Å; P160-Y216 HydrophobicContact CG-CD2 4.01Å; P160-Y216 HydrophobicContact CG-CG 4.08Å; P160-W229 HydrophobicContact CG-CD2 4.01Å; P160-W229 HydrophobicContact CG-CG 4.22Å; P160-W229 HydrophobicContact CG-CZ2 4.4Å
161	V	89.8	Confident	87	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.085	24%	0.238	C	C	.	.	S	Bend	trans	-146.4	168.1	179.4	-65.1	0	0	0	0	109.3	Y216 W229	V161-Y216 HydrophobicContact CG1-CE2 3.9Å; V161-Y216 HydrophobicContact CG2-CD2 4.31Å; V161-Y216 HydrophobicContact CG2-CE2 4.38Å; V161-W229 PolarHBondContact O-NE1 2.94Å
162	R	88	Confident	85.6	Confident	45 Å²	45	45.5 Å²	45.5	17%	0.17	25%	0.246	C	C	.	.			trans	-61.5	127.5	174.4	-169	-177	171.8	152.4	-15.3	110.1	N19 D21 W24 N166 S227	N19-R162 PolarHBondContact ND2-NH2 3.44Å; N19-R162 PolarHBondContact OD1-NH2 3.48Å; D21-R162 IonicContact OD1-CZ 3.4Å; D21-R162 IonicContact OD1-NH1 3.02Å; D21-R162 PolarHBondContact OD1-NH1 3.3Å; D21-R162 IonicContact OD1-NH2 2.68Å; W24-R162 HydrophobicContact CB-CB 4.29Å; W24-R162 HydrophobicContact CD2-CB 3.52Å; W24-R162 HydrophobicContact CD2-CG 4.1Å; W24-R162 HydrophobicContact CE3-CB 3.89Å; W24-R162 HydrophobicContact CG-CB 3.73Å; W24-R162 HydrophobicContact CG-CG 4.17Å; W24-R162 HydrophobicContact CH2-CB 4.36Å; W24-R162 HydrophobicContact CZ2-CB 4.1Å; W24-R162 HydrophobicContact CZ2-CG 4.16Å; W24-R162 HydrophobicContact CZ3-CB 4.3Å; W24-R162 VanDerWaalsContact CZ3-N 3.35Å; R162-N166 PolarHBondContact NE-OD1 3.47Å; R162-N166 VanDerWaalsContact NH2-CG 3.31Å; R162-N166 PolarHBondContact NH2-ND2 3.39Å; R162-S227 WeakPolarHBondContact O-CA 3.35Å; R162-S227 VanDerWaalsContact O-CB 3.29Å; R162-S227 WeakPolarHBondContact O-CB 3.39Å
163	P	90.2	Very high	84.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.013	26%	0.261	C	S	.	.			trans	-73.5	151.5	172.7	32.3	-35.5	0	0	0	111.6	P165 N166 D167 I170 S227 W229 R230	P163-P165 CarbonylContact C-O 3.58Å; P163-P165 CarbonylContact O-C 3.58Å; P163-N166 WeakPolarHBondContact O-CA 3.21Å; P163-D167 HydrophobicContact CG-CB 4.24Å; P163-I170 HydrophobicContact CG-CB 4.38Å; P163-I170 HydrophobicContact CG-CD1 3.85Å; P163-I170 HydrophobicContact CG-CG2 4.14Å; P163-S227 CarbonylContact C-O 3.52Å; P163-S227 WeakPolarHBondContact CA-O 3.2Å; P163-W229 HydrophobicContact CB-CZ2 4.29Å; P163-W229 HydrophobicContact CG-CZ2 4.36Å; P163-R230 HydrophobicContact CB-CB 3.76Å; P163-R230 HydrophobicContact CB-CG 3.51Å; P163-R230 HydrophobicContact CG-CG 4.13Å
164	D	88	Confident	82.9	Confident	77 Å²	77	46.9 Å²	46.9	41%	0.412	25%	0.246	S	C	.	.	S	Bend	trans	-128.5	120.5	168.3	178	36.9	0	0	0	108.7	S227 R231	D164-S227 PolarHBondContact N-O 2.93Å; D164-R231 PolarHBondContact O-NE 2.79Å; D164-R231 PolarHBondContact O-NH2 3.3Å; D164-R231 IonicContact OD2-NH2 3.72Å; D164-R231 PolarHBondContact OD2-NH2 3.43Å
165	P	89.2	Confident	81.4	Confident	95 Å²	95	50.3 Å²	50.3	62%	0.617	26%	0.261	S	S	*	.	S	Bend	cis	-61.9	151	1.7	28	-35.9	0	0	0	112.7	P163	P163-P165 CarbonylContact C-O 3.58Å; P163-P165 CarbonylContact O-C 3.58Å
166	N	77.9	Confident	80.1	Confident	68 Å²	68	54.1 Å²	54.1	36%	0.364	29%	0.288	S	S	.	.			trans	-68.5	135.3	-177.9	-169.1	31.4	0	0	0	111.1	R162 P163	R162-N166 PolarHBondContact NE-OD1 3.47Å; R162-N166 VanDerWaalsContact NH2-CG 3.31Å; R162-N166 PolarHBondContact NH2-ND2 3.39Å; P163-N166 WeakPolarHBondContact O-CA 3.21Å
167	D	72.8	Confident	79.3	Confident	39 Å²	39	54.7 Å²	54.7	21%	0.209	29%	0.293	C	S	.	.			trans	-113.3	120.8	178.7	-171	-24.7	0	0	0	109.3	P163 E169 I170 R230	P163-D167 HydrophobicContact CG-CB 4.24Å; D167-E169 VanDerWaalsContact C-N 3.26Å; D167-E169 PolarHBondContact O-N 3.05Å; D167-E169 PolarHBondContact OD1-N 3.06Å; D167-I170 HydrophobicContact CB-CB 4.24Å; D167-I170 HydrophobicContact CB-CD1 3.92Å; D167-I170 HydrophobicContact CB-CG1 4.13Å; D167-I170 PolarHBondContact O-N 3.42Å; D167-R230 IonicContact OD2-CZ 3Å; D167-R230 IonicContact OD2-NE 3.93Å; D167-R230 IonicContact OD2-NH2 2.81Å; D167-R230 PolarHBondContact OD2-NH2 2.67Å
168	V	69.4	Low	78.4	Confident	114 Å²	114	56.8 Å²	56.8	69%	0.691	31%	0.31	S	S	*	.	H	α-helix	trans	-63.1	-34.5	-176.1	-178.7	0	0	0	0	111.2	I170 R171	V168-I170 VanDerWaalsContact C-N 3.34Å; V168-I170 PolarHBondContact O-N 2.74Å; V168-R171 WeakPolarHBondContact O-CB 3.33Å; V168-R171 PolarHBondContact O-N 3.43Å
169	E	71.7	Confident	78.2	Confident	151 Å²	151	62 Å²	62	71%	0.706	34%	0.338	S	S	*	.	H	α-helix	trans	-68.9	-34.3	-178.8	-65.2	-173.9	170.2	0	0	112	D167 R171 S172	D167-E169 VanDerWaalsContact C-N 3.26Å; D167-E169 PolarHBondContact O-N 3.05Å; D167-E169 PolarHBondContact OD1-N 3.06Å; E169-R171 PolarHBondContact O-N 3.09Å; E169-S172 PolarHBondContact O-N 3.45Å; E169-S172 PolarHBondContact O-OG 2.89Å
170	I	70	Confident	78.2	Confident	15 Å²	15	63.9 Å²	63.9	8%	0.077	35%	0.345	C	S	.	.	H	α-helix	trans	-69.1	-26.7	-179.9	-72	176.7	0	0	0	111.5	C159 P163 D167 V168 S172 F173 S174 W229 R230	C159-I170 WeakPolarHBondContact SG-CG2 3.15Å; P163-I170 HydrophobicContact CG-CB 4.38Å; P163-I170 HydrophobicContact CG-CD1 3.85Å; P163-I170 HydrophobicContact CG-CG2 4.14Å; D167-I170 HydrophobicContact CB-CB 4.24Å; D167-I170 HydrophobicContact CB-CD1 3.92Å; D167-I170 HydrophobicContact CB-CG1 4.13Å; D167-I170 PolarHBondContact O-N 3.42Å; V168-I170 VanDerWaalsContact C-N 3.34Å; V168-I170 PolarHBondContact O-N 2.74Å; I170-S172 PolarHBondContact O-N 2.93Å; I170-F173 PolarHBondContact O-N 3.03Å; I170-S174 VanDerWaalsContact O-CB 3.29Å; I170-S174 WeakPolarHBondContact O-CB 3.26Å; I170-S174 PolarHBondContact O-N 2.78Å; I170-W229 HydrophobicContact CD1-CH2 3.69Å; I170-W229 HydrophobicContact CD1-CZ2 3.93Å; I170-W229 HydrophobicContact CG2-CZ2 4.29Å; I170-R230 HydrophobicContact CD1-CG 3.56Å
171	R	64.4	Low	78.2	Confident	105 Å²	105	64 Å²	64	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-44.1	179.8	-167.1	-179.6	-178	-172.3	2.2	111.8	V168 E169 Q175	V168-R171 WeakPolarHBondContact O-CB 3.33Å; V168-R171 PolarHBondContact O-N 3.43Å; E169-R171 PolarHBondContact O-N 3.09Å; R171-Q175 VanDerWaalsContact O-CG 3.29Å; R171-Q175 WeakPolarHBondContact O-CG 2.94Å; R171-Q175 PolarHBondContact O-N 2.82Å; R171-Q175 VanDerWaalsContact O-N 3.12Å
172	S	66.9	Low	78.3	Confident	81 Å²	81	65.8 Å²	65.8	57%	0.566	36%	0.358	S	S	*	.	H	α-helix	trans	-68.1	-41.1	178.5	61.7	0	0	0	0	111.3	E169 I170 S174 Q175 S176	E169-S172 PolarHBondContact O-N 3.45Å; E169-S172 PolarHBondContact O-OG 2.89Å; I170-S172 PolarHBondContact O-N 2.93Å; S172-S174 PolarHBondContact O-N 3Å; S172-Q175 PolarHBondContact O-N 3.15Å; S172-S176 PolarHBondContact O-N 2.78Å
173	F	71.3	Confident	78.7	Confident	80 Å²	80	65.8 Å²	65.8	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-42.4	177.3	-175.2	-116.3	0	0	0	112.1	C159 I170 S176 Y180	C159-F173 HydrophobicContact CB-CD1 4.06Å; C159-F173 HydrophobicContact CB-CE1 4.38Å; I170-F173 PolarHBondContact O-N 3.03Å; F173-S176 WeakPolarHBondContact O-CB 3.48Å; F173-S176 PolarHBondContact O-N 2.88Å; F173-S176 PolarHBondContact O-OG 3.18Å; F173-Y180 HydrophobicContact CE1-CE2 4.19Å; F173-Y180 HydrophobicContact CZ-CE2 4.16Å
174	S	67.1	Low	79	Confident	5 Å²	5	65.7 Å²	65.7	4%	0.035	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-42.2	177.1	163.1	0	0	0	0	113.4	F23 W24 I170 S172 S176 S177	F23-S174 WeakPolarHBondContact CE1-OG 3.15Å; W24-S174 WeakPolarHBondContact CH2-OG 3.47Å; W24-S174 WeakPolarHBondContact CZ2-OG 3.31Å; W24-S174 WeakPolarHBondContact CZ3-OG 3.42Å; I170-S174 VanDerWaalsContact O-CB 3.29Å; I170-S174 WeakPolarHBondContact O-CB 3.26Å; I170-S174 PolarHBondContact O-N 2.78Å; S172-S174 PolarHBondContact O-N 3Å; S174-S176 PolarHBondContact O-N 2.9Å; S174-S177 CarbonylContact O-C 3.55Å; S174-S177 PolarHBondContact O-N 2.82Å
175	Q	66.5	Low	79.4	Confident	112 Å²	112	62.2 Å²	62.2	52%	0.523	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-19.7	179.3	-74.3	175.9	-21.4	0	0	112.8	R171 S172 S177	R171-Q175 VanDerWaalsContact O-CG 3.29Å; R171-Q175 WeakPolarHBondContact O-CG 2.94Å; R171-Q175 PolarHBondContact O-N 2.82Å; R171-Q175 VanDerWaalsContact O-N 3.12Å; S172-Q175 PolarHBondContact O-N 3.15Å; Q175-S177 VanDerWaalsContact C-N 3.29Å; Q175-S177 PolarHBondContact O-N 2.78Å
176	S	71.6	Confident	79.8	Confident	79 Å²	79	59.6 Å²	59.6	55%	0.552	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.1	176.8	77.6	0	0	0	0	113.9	S172 F173 S174	S172-S176 PolarHBondContact O-N 2.78Å; F173-S176 WeakPolarHBondContact O-CB 3.48Å; F173-S176 PolarHBondContact O-N 2.88Å; F173-S176 PolarHBondContact O-OG 3.18Å; S174-S176 PolarHBondContact O-N 2.9Å
177	S	78.8	Confident	80.7	Confident	34 Å²	34	56.4 Å²	56.4	24%	0.238	31%	0.308	C	S	.	.			trans	-155.4	104.5	174	-159.9	0	0	0	0	112.1	S174 Q175 N179 Y180	S174-S177 CarbonylContact O-C 3.55Å; S174-S177 PolarHBondContact O-N 2.82Å; Q175-S177 VanDerWaalsContact C-N 3.29Å; Q175-S177 PolarHBondContact O-N 2.78Å; S177-N179 PolarHBondContact O-N 3.47Å; S177-N179 VanDerWaalsContact O-N 3.08Å; S177-Y180 VanDerWaalsContact CB-CZ 3.43Å; S177-Y180 VanDerWaalsContact O-CD2 3.22Å; S177-Y180 WeakPolarHBondContact O-CD2 3.38Å; S177-Y180 PolarHBondContact O-N 3.48Å
178	P	77.6	Confident	81.9	Confident	72 Å²	72	54.7 Å²	54.7	47%	0.468	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.3	178.9	27.4	-34.9	0	0	0	113	F23 Y180	F23-P178 HydrophobicContact CE2-CB 4.25Å; F23-P178 HydrophobicContact CZ-CB 4.26Å; P178-Y180 VanDerWaalsContact C-N 3.3Å; P178-Y180 PolarHBondContact O-N 3.34Å
179	N	88	Confident	83.2	Confident	110 Å²	110	56.1 Å²	56.1	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.3	-177.3	-66.6	-14.8	0	0	0	113.9	S177 R183	S177-N179 PolarHBondContact O-N 3.47Å; S177-N179 VanDerWaalsContact O-N 3.08Å; N179-R183 WeakPolarHBondContact O-CB 3.41Å; N179-R183 PolarHBondContact O-N 2.89Å; N179-R183 VanDerWaalsContact O-N 3.12Å
180	Y	90.8	Very high	84.5	Confident	42 Å²	42	54.4 Å²	54.4	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-50.4	-179.6	-70.3	-35.3	0	0	0	113.3	C159 F173 S177 P178 R183 I184	C159-Y180 HydrophobicContact CB-CD2 4.14Å; C159-Y180 VanDerWaalsContact N-CD2 3.31Å; C159-Y180 WeakPolarHBondContact O-CB 3.28Å; F173-Y180 HydrophobicContact CE1-CE2 4.19Å; F173-Y180 HydrophobicContact CZ-CE2 4.16Å; S177-Y180 VanDerWaalsContact CB-CZ 3.43Å; S177-Y180 VanDerWaalsContact O-CD2 3.22Å; S177-Y180 WeakPolarHBondContact O-CD2 3.38Å; S177-Y180 PolarHBondContact O-N 3.48Å; P178-Y180 VanDerWaalsContact C-N 3.3Å; P178-Y180 PolarHBondContact O-N 3.34Å; Y180-R183 PolarHBondContact O-N 3.42Å; Y180-I184 WeakPolarHBondContact O-CB 3.43Å; Y180-I184 VanDerWaalsContact O-CG1 3.26Å; Y180-I184 WeakPolarHBondContact O-CG1 3.13Å; Y180-I184 PolarHBondContact O-N 3.17Å
181	G	91.6	Very high	85.8	Confident	5 Å²	5	53.7 Å²	53.7	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-57.9	179.9	0	0	0	0	0	113	P160 R183 I184 E185	P160-G181 WeakPolarHBondContact O-CA 3.44Å; G181-R183 VanDerWaalsContact C-N 3.28Å; G181-R183 PolarHBondContact O-N 3.39Å; G181-I184 PolarHBondContact O-N 2.95Å; G181-E185 PolarHBondContact O-N 3.22Å
182	P	93.3	Very high	87.4	Confident	50 Å²	50	48.8 Å²	48.8	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-53.1	-41.9	176.6	-29.2	35.8	0	0	0	114.1	V29 A186	V29-P182 HydrophobicContact CG1-CB 4.31Å; V29-P182 HydrophobicContact CG1-CG 3.97Å; P182-A186 WeakPolarHBondContact O-CB 3.23Å; P182-A186 PolarHBondContact O-N 3.1Å
183	R	95.5	Very high	88.8	Confident	45 Å²	45	46.7 Å²	46.7	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-44.4	179.1	-176.9	179.6	54.4	69.3	-6.4	112.3	L154 N156 E157 N179 Y180 G181 A186 A187	L154-R183 HydrophobicContact CD2-CG 3.76Å; L154-R183 PolarHBondContact O-NH1 3.32Å; N156-R183 PolarHBondContact O-NH1 3.11Å; N156-R183 PolarHBondContact O-NH2 2.87Å; E157-R183 PolarHBondContact O-NH2 3.28Å; N179-R183 WeakPolarHBondContact O-CB 3.41Å; N179-R183 PolarHBondContact O-N 2.89Å; N179-R183 VanDerWaalsContact O-N 3.12Å; Y180-R183 PolarHBondContact O-N 3.42Å; G181-R183 VanDerWaalsContact C-N 3.28Å; G181-R183 PolarHBondContact O-N 3.39Å; R183-A186 PolarHBondContact O-N 3.1Å; R183-A187 PolarHBondContact O-N 2.67Å
184	I	96.6	Very high	89.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70	-38.8	-179.7	-65.2	169.3	0	0	0	110.4	P160 Y180 G181 A186 A187 F188 V213 Y216 F217	P160-I184 HydrophobicContact CB-CB 4.48Å; P160-I184 HydrophobicContact CB-CD1 3.95Å; P160-I184 HydrophobicContact CB-CG2 4.22Å; Y180-I184 WeakPolarHBondContact O-CB 3.43Å; Y180-I184 VanDerWaalsContact O-CG1 3.26Å; Y180-I184 WeakPolarHBondContact O-CG1 3.13Å; Y180-I184 PolarHBondContact O-N 3.17Å; G181-I184 PolarHBondContact O-N 2.95Å; I184-A186 VanDerWaalsContact C-N 3.35Å; I184-A186 PolarHBondContact O-N 3.21Å; I184-A187 VanDerWaalsContact O-CB 3.3Å; I184-A187 WeakPolarHBondContact O-CB 3.45Å; I184-A187 PolarHBondContact O-N 2.87Å; I184-F188 PolarHBondContact O-N 3.26Å; I184-V213 HydrophobicContact CD1-CG2 4.1Å; I184-V213 HydrophobicContact CG1-CG2 4.2Å; I184-V213 HydrophobicContact CG2-CG1 4.44Å; I184-Y216 HydrophobicContact CG2-CD1 3.36Å; I184-Y216 HydrophobicContact CG2-CE1 3.82Å; I184-Y216 HydrophobicContact CG2-CG 4.07Å; I184-F217 HydrophobicContact CG2-CE1 3.97Å; I184-F217 WeakPolarHBondContact O-CE1 3.3Å
185	E	96.3	Very high	91.3	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-38.5	172.5	177.6	62.4	-168.4	0	0	111.9	V29 G181 A187 F188 R189 Y216 R220	V29-E185 HydrophobicContact CB-CG 4.46Å; V29-E185 HydrophobicContact CG2-CB 3.46Å; V29-E185 VanDerWaalsContact CG2-CB 3.46Å; V29-E185 HydrophobicContact CG2-CG 3.72Å; G181-E185 PolarHBondContact O-N 3.22Å; E185-A187 VanDerWaalsContact C-N 3.29Å; E185-A187 PolarHBondContact O-N 3.26Å; E185-F188 WeakPolarHBondContact O-CB 3.43Å; E185-F188 PolarHBondContact O-N 2.8Å; E185-R189 WeakPolarHBondContact O-CG 3.34Å; E185-R189 PolarHBondContact O-N 3.23Å; E185-R189 IonicContact OE1-CZ 3.89Å; E185-R189 IonicContact OE1-NE 2.75Å; E185-R189 PolarHBondContact OE1-NE 2.96Å; E185-R189 IonicContact OE1-NH2 3.95Å; E185-Y216 PolarHBondContact OE2-OH 3.03Å; E185-R220 IonicContact OE1-CZ 3.09Å; E185-R220 IonicContact OE1-NE 3Å; E185-R220 IonicContact OE1-NH2 3.01Å; E185-R220 PolarHBondContact OE1-NH2 2.83Å; E185-R220 IonicContact OE2-CZ 3.88Å; E185-R220 IonicContact OE2-NE 2.96Å; E185-R220 PolarHBondContact OE2-NE 2.86Å; E185-R220 IonicContact OE2-NH2 3.56Å
186	A	97	Very high	92.5	Very high	41 Å²	41	40.6 Å²	40.6	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-61.2	-40.1	172.9	0	0	0	0	0	111.6	L154 P182 R183 I184 R189 R190	L154-A186 HydrophobicContact CD2-CB 4.4Å; P182-A186 WeakPolarHBondContact O-CB 3.23Å; P182-A186 PolarHBondContact O-N 3.1Å; R183-A186 PolarHBondContact O-N 3.1Å; I184-A186 VanDerWaalsContact C-N 3.35Å; I184-A186 PolarHBondContact O-N 3.21Å; A186-R189 PolarHBondContact O-N 2.86Å; A186-R190 WeakPolarHBondContact O-CB 3.06Å; A186-R190 PolarHBondContact O-N 3.38Å
187	A	98	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-44	172.8	0	0	0	0	0	111.7	L154 L155 R183 I184 E185 R190 Y191 F217	L154-A187 HydrophobicContact CB-CB 3.78Å; L155-A187 HydrophobicContact CD2-CB 4.26Å; R183-A187 PolarHBondContact O-N 2.67Å; I184-A187 VanDerWaalsContact O-CB 3.3Å; I184-A187 WeakPolarHBondContact O-CB 3.45Å; I184-A187 PolarHBondContact O-N 2.87Å; E185-A187 VanDerWaalsContact C-N 3.29Å; E185-A187 PolarHBondContact O-N 3.26Å; A187-R190 PolarHBondContact O-N 3.39Å; A187-Y191 VanDerWaalsContact O-CD2 3.23Å; A187-Y191 WeakPolarHBondContact O-CD2 3.27Å; A187-Y191 PolarHBondContact O-N 2.87Å; A187-Y191 VanDerWaalsContact O-N 3.1Å; A187-F217 HydrophobicContact CB-CE1 4.08Å; A187-F217 HydrophobicContact CB-CZ 3.66Å
188	F	98.1	Very high	93.6	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-57.2	-54	175.6	178.9	-96.4	0	0	0	110.5	W44 I184 E185 R190 Y191 F192 F217 R220 A221	W44-F188 HydrophobicContact CE3-CE1 4.17Å; W44-F188 HydrophobicContact CE3-CZ 4.16Å; W44-F188 HydrophobicContact CZ3-CE1 4.06Å; W44-F188 AromaticContact CZ3-CZ 3.92Å; W44-F188 HydrophobicContact CZ3-CZ 3.92Å; I184-F188 PolarHBondContact O-N 3.26Å; E185-F188 WeakPolarHBondContact O-CB 3.43Å; E185-F188 PolarHBondContact O-N 2.8Å; F188-R190 PolarHBondContact O-N 2.89Å; F188-Y191 PolarHBondContact O-N 3.16Å; F188-F192 HydrophobicContact CD1-CB 4.49Å; F188-F192 HydrophobicContact CD2-CB 4.01Å; F188-F192 HydrophobicContact CD2-CD1 4.2Å; F188-F192 AromaticContact CD2-CD2 3.47Å; F188-F192 HydrophobicContact CD2-CD2 3.47Å; F188-F192 VanDerWaalsContact CD2-CD2 3.47Å; F188-F192 AromaticContact CD2-CE2 3.94Å; F188-F192 HydrophobicContact CD2-CE2 3.94Å; F188-F192 AromaticContact CD2-CG 3.62Å; F188-F192 HydrophobicContact CD2-CG 3.62Å; F188-F192 HydrophobicContact CD2-CZ 4.49Å; F188-F192 HydrophobicContact CE1-CB 4.22Å; F188-F192 HydrophobicContact CE2-CB 3.72Å; F188-F192 AromaticContact CE2-CD1 3.63Å; F188-F192 HydrophobicContact CE2-CD1 3.63Å; F188-F192 AromaticContact CE2-CD2 3.78Å; F188-F192 HydrophobicContact CE2-CD2 3.78Å; F188-F192 HydrophobicContact CE2-CE1 4.17Å; F188-F192 HydrophobicContact CE2-CE2 4.3Å; F188-F192 AromaticContact CE2-CG 3.42Å; F188-F192 HydrophobicContact CE2-CG 3.42Å; F188-F192 VanDerWaalsContact CE2-CG 3.42Å; F188-F192 HydrophobicContact CE2-CZ 4.48Å; F188-F192 HydrophobicContact CG-CB 4.38Å; F188-F192 HydrophobicContact CG-CD2 4.19Å; F188-F192 HydrophobicContact CG-CG 4.39Å; F188-F192 HydrophobicContact CZ-CB 3.84Å; F188-F192 HydrophobicContact CZ-CD1 4.29Å; F188-F192 HydrophobicContact CZ-CG 4.05Å; F188-F192 VanDerWaalsContact O-CB 3.3Å; F188-F192 WeakPolarHBondContact O-CB 3.49Å; F188-F192 PolarHBondContact O-N 3.18Å; F188-F217 HydrophobicContact CB-CD1 3.88Å; F188-F217 HydrophobicContact CB-CE1 3.75Å; F188-F217 HydrophobicContact CD2-CB 4.5Å; F188-F217 AromaticContact CD2-CD1 3.87Å; F188-F217 HydrophobicContact CD2-CD1 3.87Å; F188-F217 HydrophobicContact CD2-CG 4.42Å; F188-F217 HydrophobicContact CG-CD1 4.38Å; F188-R220 HydrophobicContact CD1-CB 4.35Å; F188-R220 HydrophobicContact CD2-CB 3.7Å; F188-R220 HydrophobicContact CD2-CG 4.48Å; F188-R220 HydrophobicContact CE1-CB 4.13Å; F188-R220 HydrophobicContact CE2-CB 3.42Å; F188-R220 VanDerWaalsContact CE2-CB 3.42Å; F188-R220 HydrophobicContact CG-CB 4.16Å; F188-R220 HydrophobicContact CZ-CB 3.66Å; F188-A221 HydrophobicContact CE2-CB 4.01Å; F188-A221 HydrophobicContact CZ-CB 4.49Å
189	R	96.9	Very high	94.3	Very high	145 Å²	145	45.4 Å²	45.4	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-28.8	-179.7	-65.7	-178.9	-174.4	-160.6	4.9	113.6	V29 E185 A186	V29-R189 PolarHBondContact O-NH2 3.06Å; E185-R189 WeakPolarHBondContact O-CG 3.34Å; E185-R189 PolarHBondContact O-N 3.23Å; E185-R189 IonicContact OE1-CZ 3.89Å; E185-R189 IonicContact OE1-NE 2.75Å; E185-R189 PolarHBondContact OE1-NE 2.96Å; E185-R189 IonicContact OE1-NH2 3.95Å; A186-R189 PolarHBondContact O-N 2.86Å
190	R	97.2	Very high	94.5	Very high	114 Å²	114	46.4 Å²	46.4	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-70.1	-42	176.1	-177.9	176.5	-174.8	169.1	5.1	112.1	D152 A186 A187 F188 Y193	D152-R190 VanDerWaalsContact CG-NH1 3.29Å; D152-R190 IonicContact OD1-NH1 2.78Å; D152-R190 IonicContact OD2-CZ 3.47Å; D152-R190 IonicContact OD2-NE 3.63Å; D152-R190 IonicContact OD2-NH1 2.67Å; D152-R190 PolarHBondContact OD2-NH1 3.35Å; A186-R190 WeakPolarHBondContact O-CB 3.06Å; A186-R190 PolarHBondContact O-N 3.38Å; A187-R190 PolarHBondContact O-N 3.39Å; F188-R190 PolarHBondContact O-N 2.89Å; R190-Y193 VanDerWaalsContact O-CE1 3.25Å; R190-Y193 WeakPolarHBondContact O-CE1 3.25Å
191	Y	97.6	Very high	94.6	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-104.7	-28	-168.5	-65.5	-58.6	0	0	0	114.4	R80 V125 D152 L155 A187 F188 F207	R80-Y191 PolarHBondContact NH1-O 2.81Å; R80-Y191 PolarHBondContact NH2-O 2.8Å; R80-Y191 VanDerWaalsContact NH2-O 3.09Å; V125-Y191 WeakPolarHBondContact CG1-OH 3.37Å; V125-Y191 HydrophobicContact CG2-CE1 4.22Å; D152-Y191 WeakPolarHBondContact CB-OH 3.39Å; D152-Y191 PolarHBondContact OD2-OH 3.47Å; L155-Y191 HydrophobicContact CD1-CE2 4.06Å; L155-Y191 HydrophobicContact CD2-CD2 4.06Å; L155-Y191 HydrophobicContact CD2-CE2 3.93Å; L155-Y191 HydrophobicContact CG-CE2 3.94Å; A187-Y191 VanDerWaalsContact O-CD2 3.23Å; A187-Y191 WeakPolarHBondContact O-CD2 3.27Å; A187-Y191 PolarHBondContact O-N 2.87Å; A187-Y191 VanDerWaalsContact O-N 3.1Å; F188-Y191 PolarHBondContact O-N 3.16Å; Y191-F207 HydrophobicContact CD1-CD1 4.38Å; Y191-F207 AromaticContact CD1-CE1 3.36Å; Y191-F207 HydrophobicContact CD1-CE1 3.36Å; Y191-F207 AromaticContact CD1-CZ 3.87Å; Y191-F207 HydrophobicContact CD1-CZ 3.87Å; Y191-F207 HydrophobicContact CD2-CE1 4.25Å; Y191-F207 AromaticContact CE1-CE1 3.67Å; Y191-F207 HydrophobicContact CE1-CE1 3.67Å; Y191-F207 HydrophobicContact CE1-CZ 4.49Å; Y191-F207 HydrophobicContact CG-CD1 4.39Å; Y191-F207 AromaticContact CG-CE1 3.67Å; Y191-F207 HydrophobicContact CG-CE1 3.67Å; Y191-F207 HydrophobicContact CG-CZ 4.22Å
192	F	97.8	Very high	94.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	27%	0.268	C	S	.	.			trans	-94.4	108.6	178.5	-71.7	-103.7	0	0	0	110.1	W44 L82 F84 F188 F217 A221 I242 I244	W44-F192 HydrophobicContact CH2-CB 3.85Å; W44-F192 HydrophobicContact CZ3-CB 3.73Å; W44-F192 WeakPolarHBondContact CZ3-O 3.39Å; L82-F192 HydrophobicContact CD1-CD1 4.01Å; L82-F192 HydrophobicContact CD1-CE1 3.93Å; L82-F192 HydrophobicContact CD1-CG 4.33Å; L82-F192 HydrophobicContact CD1-CZ 4.18Å; F84-F192 HydrophobicContact CD2-CZ 4.45Å; F84-F192 HydrophobicContact CE1-CE2 4.28Å; F84-F192 HydrophobicContact CE1-CZ 4.46Å; F84-F192 HydrophobicContact CE2-CE1 4.24Å; F84-F192 AromaticContact CE2-CE2 3.91Å; F84-F192 HydrophobicContact CE2-CE2 3.91Å; F84-F192 AromaticContact CE2-CZ 3.36Å; F84-F192 HydrophobicContact CE2-CZ 3.36Å; F84-F192 AromaticContact CZ-CE2 3.39Å; F84-F192 HydrophobicContact CZ-CE2 3.39Å; F84-F192 AromaticContact CZ-CZ 3.38Å; F84-F192 HydrophobicContact CZ-CZ 3.38Å; F188-F192 HydrophobicContact CD1-CB 4.49Å; F188-F192 HydrophobicContact CD2-CB 4.01Å; F188-F192 HydrophobicContact CD2-CD1 4.2Å; F188-F192 AromaticContact CD2-CD2 3.47Å; F188-F192 HydrophobicContact CD2-CD2 3.47Å; F188-F192 VanDerWaalsContact CD2-CD2 3.47Å; F188-F192 AromaticContact CD2-CE2 3.94Å; F188-F192 HydrophobicContact CD2-CE2 3.94Å; F188-F192 AromaticContact CD2-CG 3.62Å; F188-F192 HydrophobicContact CD2-CG 3.62Å; F188-F192 HydrophobicContact CD2-CZ 4.49Å; F188-F192 HydrophobicContact CE1-CB 4.22Å; F188-F192 HydrophobicContact CE2-CB 3.72Å; F188-F192 AromaticContact CE2-CD1 3.63Å; F188-F192 HydrophobicContact CE2-CD1 3.63Å; F188-F192 AromaticContact CE2-CD2 3.78Å; F188-F192 HydrophobicContact CE2-CD2 3.78Å; F188-F192 HydrophobicContact CE2-CE1 4.17Å; F188-F192 HydrophobicContact CE2-CE2 4.3Å; F188-F192 AromaticContact CE2-CG 3.42Å; F188-F192 HydrophobicContact CE2-CG 3.42Å; F188-F192 VanDerWaalsContact CE2-CG 3.42Å; F188-F192 HydrophobicContact CE2-CZ 4.48Å; F188-F192 HydrophobicContact CG-CB 4.38Å; F188-F192 HydrophobicContact CG-CD2 4.19Å; F188-F192 HydrophobicContact CG-CG 4.39Å; F188-F192 HydrophobicContact CZ-CB 3.84Å; F188-F192 HydrophobicContact CZ-CD1 4.29Å; F188-F192 HydrophobicContact CZ-CG 4.05Å; F188-F192 VanDerWaalsContact O-CB 3.3Å; F188-F192 WeakPolarHBondContact O-CB 3.49Å; F188-F192 PolarHBondContact O-N 3.18Å; F192-F217 HydrophobicContact CE2-CB 3.79Å; F192-F217 HydrophobicContact CE2-CD1 4.18Å; F192-F217 AromaticContact CE2-CD2 3.6Å; F192-F217 HydrophobicContact CE2-CD2 3.6Å; F192-F217 HydrophobicContact CE2-CE2 4.15Å; F192-F217 AromaticContact CE2-CG 3.61Å; F192-F217 HydrophobicContact CE2-CG 3.61Å; F192-F217 HydrophobicContact CZ-CB 3.65Å; F192-F217 HydrophobicContact CZ-CD2 4.09Å; F192-F217 HydrophobicContact CZ-CG 4Å; F192-A221 HydrophobicContact CD1-CB 3.83Å; F192-A221 HydrophobicContact CE1-CB 3.64Å; F192-I242 HydrophobicContact CE1-CD1 3.74Å; F192-I242 HydrophobicContact CE1-CG2 4.25Å; F192-I242 HydrophobicContact CZ-CD1 3.98Å; F192-I244 HydrophobicContact CD1-CD1 3.98Å
193	Y	96.9	Very high	94.9	Very high	37 Å²	37	48 Å²	48	15%	0.145	26%	0.256	C	S	.	.			trans	-161.5	152.9	173.9	54.3	-89.2	0	0	0	109	R47 R80 R190 T196	R47-Y193 VanDerWaalsContact CZ-CG 3.5Å; R47-Y193 VanDerWaalsContact NH1-CG 3.31Å; R80-Y193 VanDerWaalsContact NH1-CG 3.29Å; R80-Y193 VanDerWaalsContact NH1-CZ 3.29Å; R80-Y193 PolarHBondContact NH1-O 2.83Å; R190-Y193 VanDerWaalsContact O-CE1 3.25Å; R190-Y193 WeakPolarHBondContact O-CE1 3.25Å; Y193-T196 HydrophobicContact CE2-CG2 4.29Å
194	R	95.7	Very high	95	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.038	26%	0.256	C	S	.	.			trans	-61.2	153.7	173.1	71.4	-169.8	67.4	-156.4	0.7	111.7	P42 D45 R47 D48 T196 I244	P42-R194 PolarHBondContact O-NH2 2.81Å; D45-R194 IonicContact OD1-CZ 3.89Å; D45-R194 IonicContact OD1-NE 3.51Å; D45-R194 PolarHBondContact OD1-NE 3.4Å; D45-R194 VanDerWaalsContact OD1-NE 3.09Å; D45-R194 IonicContact OD1-NH2 3.51Å; D45-R194 PolarHBondContact OD1-NH2 3.45Å; D45-R194 WeakPolarHBondContact OD2-CB 3.47Å; D45-R194 VanDerWaalsContact OD2-CG 3.26Å; D45-R194 WeakPolarHBondContact OD2-CG 3.21Å; D45-R194 IonicContact OD2-CZ 3.69Å; D45-R194 PolarHBondContact OD2-N 2.77Å; D45-R194 IonicContact OD2-NE 3.92Å; D45-R194 PolarHBondContact OD2-NE 2.79Å; D45-R194 IonicContact OD2-NH2 2.61Å; R47-R194 HydrophobicContact CB-CG 4.28Å; D48-R194 IonicContact OD1-NH1 2.78Å; D48-R194 IonicContact OD2-CZ 2.97Å; D48-R194 IonicContact OD2-NH1 3.28Å; D48-R194 PolarHBondContact OD2-NH1 3.36Å; D48-R194 IonicContact OD2-NH2 3.81Å; R194-T196 PolarHBondContact O-N 2.82Å; R194-I244 HydrophobicContact CB-CG2 4.43Å
195	P	95.2	Very high	95	Very high	7 Å²	7	48.3 Å²	48.3	5%	0.045	26%	0.258	C	S	.	.			trans	-41.5	138.5	169.3	-27.8	29.4	0	0	0	113.1	I78 R80 Q199 S245 Q246	I78-P195 HydrophobicContact CG2-CB 3.94Å; I78-P195 HydrophobicContact CG2-CG 4.15Å; R80-P195 HydrophobicContact CG-CB 4.47Å; R80-P195 HydrophobicContact CG-CG 4.02Å; P195-Q199 HydrophobicContact CB-CB 4.44Å; P195-S245 WeakPolarHBondContact CD-O 3.33Å; P195-Q246 HydrophobicContact CG-CB 4.42Å
196	T	91.4	Very high	95.1	Very high	52 Å²	52	48.1 Å²	48.1	32%	0.319	26%	0.257	S	S	.	.			trans	-71.6	159.8	174.6	57	0	0	0	0	110.3	Y193 R194 D198 Q199	Y193-T196 HydrophobicContact CE2-CG2 4.29Å; R194-T196 PolarHBondContact O-N 2.82Å; T196-D198 WeakPolarHBondContact CB-OD1 3.1Å; T196-D198 PolarHBondContact O-N 2.64Å; T196-D198 PolarHBondContact OG1-OD1 3.16Å; T196-Q199 WeakPolarHBondContact O-CB 3.38Å; T196-Q199 PolarHBondContact O-N 3.38Å; T196-Q199 VanDerWaalsContact O-N 3.13Å
197	T	86	Confident	95.1	Very high	128 Å²	128	46.1 Å²	46.1	79%	0.785	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.8	-176.8	48.5	0	0	0	0	113.7
198	D	89.2	Confident	95.2	Very high	122 Å²	122	46.1 Å²	46.1	65%	0.652	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.4	177.8	62.9	-46.2	0	0	0	113.6	T196 T200	T196-D198 WeakPolarHBondContact CB-OD1 3.1Å; T196-D198 PolarHBondContact O-N 2.64Å; T196-D198 PolarHBondContact OG1-OD1 3.16Å; D198-T200 PolarHBondContact O-N 2.7Å
199	Q	91.7	Very high	95.2	Very high	36 Å²	36	46 Å²	46	17%	0.168	24%	0.24	C	C	.	.			trans	-69.6	124.6	175.7	-171.9	178.8	-26.5	0	0	109.7	I78 S79 P195 T196 A201	I78-Q199 WeakPolarHBondContact CD1-O 3.17Å; I78-Q199 HydrophobicContact CG2-CB 4.31Å; I78-Q199 HydrophobicContact CG2-CG 3.79Å; S79-Q199 PolarHBondContact O-NE2 2.65Å; P195-Q199 HydrophobicContact CB-CB 4.44Å; T196-Q199 WeakPolarHBondContact O-CB 3.38Å; T196-Q199 PolarHBondContact O-N 3.38Å; T196-Q199 VanDerWaalsContact O-N 3.13Å; Q199-A201 VanDerWaalsContact CG-O 3.32Å; Q199-A201 WeakPolarHBondContact CG-O 3.25Å; Q199-A201 PolarHBondContact NE2-O 2.65Å
200	T	91.4	Very high	95.2	Very high	130 Å²	130	39.1 Å²	39.1	80%	0.798	21%	0.214	S	C	*	.			trans	-106.5	-11.1	-174.1	55.3	0	0	0	0	114.6	D198	D198-T200 PolarHBondContact O-N 2.7Å
201	A	93.7	Very high	95.3	Very high	62 Å²	62	34 Å²	34	51%	0.512	20%	0.196	S	C	.	.	S	Bend	trans	-144.2	163.3	-178.6	0	0	0	0	0	111.2	I78 Q199 S203	I78-A201 WeakPolarHBondContact CG2-O 3.4Å; Q199-A201 VanDerWaalsContact CG-O 3.32Å; Q199-A201 WeakPolarHBondContact CG-O 3.25Å; Q199-A201 PolarHBondContact NE2-O 2.65Å; A201-S203 PolarHBondContact O-N 2.81Å
202	D	95.4	Very high	95.2	Very high	58 Å²	58	34.9 Å²	34.9	31%	0.31	20%	0.201	S	C	.	.			trans	-59.1	135.5	174	-79.4	-10.3	0	0	0	111.2	S79 Y204	S79-D202 PolarHBondContact N-OD1 3.45Å; S79-D202 VanDerWaalsContact O-CA 3.28Å; S79-D202 WeakPolarHBondContact O-CA 3.21Å; S79-D202 PolarHBondContact OG-OD1 3.23Å; S79-D202 PolarHBondContact OG-OD2 3.39Å; D202-Y204 HydrophobicContact CB-CE2 3.84Å
203	S	95.9	Very high	95.2	Very high	10 Å²	10	34.8 Å²	34.8	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	149.4	170.8	74.6	0	0	0	0	110.8	S79 R80 N81 A201 E205	S79-S203 PolarHBondContact O-N 3.39Å; R80-S203 WeakPolarHBondContact CA-OG 3.31Å; R80-S203 WeakPolarHBondContact CG-OG 3.4Å; N81-S203 VanDerWaalsContact CB-O 3.28Å; N81-S203 WeakPolarHBondContact CB-O 3.29Å; N81-S203 PolarHBondContact N-O 2.92Å; N81-S203 PolarHBondContact ND2-O 2.87Å; A201-S203 PolarHBondContact O-N 2.81Å; S203-E205 PolarHBondContact OG-OE1 2.84Å
204	Y	96.6	Very high	95.3	Very high	43 Å²	43	33 Å²	33	17%	0.169	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	110.5	176.3	-59.2	-96.6	0	0	0	107.9	N81 F83 F119 F121 T122 D202	N81-Y204 HydrophobicContact CB-CD1 3.74Å; N81-Y204 HydrophobicContact CB-CE1 4.09Å; N81-Y204 HydrophobicContact CB-CG 4.35Å; N81-Y204 CarbonylContact O-C 3.51Å; N81-Y204 WeakPolarHBondContact O-CA 2.94Å; F83-Y204 AromaticContact CE2-CD1 3.88Å; F83-Y204 HydrophobicContact CE2-CD1 3.88Å; F83-Y204 HydrophobicContact CZ-CD1 4.35Å; F119-Y204 HydrophobicContact CB-CD1 3.7Å; F119-Y204 HydrophobicContact CB-CD2 4.24Å; F119-Y204 HydrophobicContact CB-CE1 4.12Å; F119-Y204 HydrophobicContact CB-CG 3.79Å; F119-Y204 AromaticContact CD1-CD1 3.71Å; F119-Y204 HydrophobicContact CD1-CD1 3.71Å; F119-Y204 AromaticContact CD1-CE1 3.2Å; F119-Y204 HydrophobicContact CD1-CE1 3.2Å; F119-Y204 HydrophobicContact CD1-CE2 4.16Å; F119-Y204 HydrophobicContact CD1-CG 4.39Å; F119-Y204 AromaticContact CD1-CZ 3.47Å; F119-Y204 VanDerWaalsContact CD1-CZ 3.47Å; F119-Y204 AromaticContact CD2-CD1 3.67Å; F119-Y204 HydrophobicContact CD2-CD1 3.67Å; F119-Y204 AromaticContact CD2-CE1 3.83Å; F119-Y204 HydrophobicContact CD2-CE1 3.83Å; F119-Y204 HydrophobicContact CE1-CD1 4.24Å; F119-Y204 AromaticContact CE1-CE1 3.42Å; F119-Y204 HydrophobicContact CE1-CE1 3.42Å; F119-Y204 VanDerWaalsContact CE1-CE1 3.42Å; F119-Y204 AromaticContact CE1-CZ 3.78Å; F119-Y204 HydrophobicContact CE2-CD1 4.21Å; F119-Y204 HydrophobicContact CE2-CE1 4Å; F119-Y204 AromaticContact CG-CD1 3.41Å; F119-Y204 HydrophobicContact CG-CD1 3.41Å; F119-Y204 VanDerWaalsContact CG-CD1 3.41Å; F119-Y204 AromaticContact CG-CE1 3.44Å; F119-Y204 HydrophobicContact CG-CE1 3.44Å; F119-Y204 VanDerWaalsContact CG-CE1 3.44Å; F119-Y204 HydrophobicContact CG-CG 4.03Å; F119-Y204 HydrophobicContact CZ-CD1 4.48Å; F119-Y204 AromaticContact CZ-CE1 3.82Å; F119-Y204 HydrophobicContact CZ-CE1 3.82Å; F121-Y204 CarbonylContact C-O 3.56Å; F121-Y204 WeakPolarHBondContact CA-O 3.26Å; T122-Y204 PolarHBondContact N-O 3.25Å; T122-Y204 PolarHBondContact OG1-O 2.84Å; D202-Y204 HydrophobicContact CB-CE2 3.84Å
205	E	97.2	Very high	95.5	Very high	9 Å²	9	33.4 Å²	33.4	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.7	-166.4	-58.2	178.2	-135	0	0	110.2	R80 N81 L82 F83 R123 S203 F207	R80-E205 IonicContact CZ-OE1 2.96Å; R80-E205 VanDerWaalsContact CZ-OE1 3.28Å; R80-E205 IonicContact CZ-OE2 3.8Å; R80-E205 IonicContact NE-OE1 3.73Å; R80-E205 PolarHBondContact NE-OE1 2.6Å; R80-E205 IonicContact NH2-OE1 2.75Å; R80-E205 PolarHBondContact NH2-OE1 3.29Å; R80-E205 IonicContact NH2-OE2 3.45Å; R80-E205 PolarHBondContact NH2-OE2 3.1Å; N81-E205 PolarHBondContact O-N 3.46Å; L82-E205 HydrophobicContact CD2-CB 4.1Å; L82-E205 HydrophobicContact CD2-CG 4.4Å; F83-E205 PolarHBondContact N-O 3.13Å; R123-E205 HydrophobicContact CB-CB 4.08Å; R123-E205 HydrophobicContact CB-CG 3.84Å; R123-E205 WeakPolarHBondContact O-CA 3.47Å; S203-E205 PolarHBondContact OG-OE1 2.84Å; E205-F207 HydrophobicContact CB-CE2 3.62Å; E205-F207 HydrophobicContact CB-CZ 4.07Å
206	I	97.5	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.8	-179.7	-63	169.5	0	0	0	110.6	F83 L114 F121 R123 F124 V125 M139 M143 V208	F83-I206 HydrophobicContact CB-CG1 4.35Å; F83-I206 CarbonylContact O-C 3.5Å; F83-I206 WeakPolarHBondContact O-CA 3.48Å; L114-I206 HydrophobicContact CD1-CD1 4.07Å; F121-I206 HydrophobicContact CB-CD1 4.19Å; F121-I206 HydrophobicContact CD1-CD1 3.51Å; F121-I206 HydrophobicContact CD1-CG1 3.47Å; F121-I206 VanDerWaalsContact CD1-CG1 3.47Å; F121-I206 HydrophobicContact CD2-CD1 3.9Å; F121-I206 HydrophobicContact CE1-CD1 3.76Å; F121-I206 HydrophobicContact CE1-CG1 3.71Å; F121-I206 HydrophobicContact CE2-CD1 4.13Å; F121-I206 HydrophobicContact CG-CD1 3.59Å; F121-I206 HydrophobicContact CG-CG1 4.04Å; F121-I206 HydrophobicContact CZ-CD1 4.06Å; F121-I206 HydrophobicContact CZ-CG1 4.45Å; R123-I206 PolarHBondContact O-N 3.29Å; F124-I206 WeakPolarHBondContact CA-O 3.26Å; F124-I206 HydrophobicContact CD1-CB 4.25Å; F124-I206 HydrophobicContact CD1-CG2 3.98Å; F124-I206 HydrophobicContact CD2-CB 4.41Å; F124-I206 HydrophobicContact CD2-CD1 4.31Å; F124-I206 HydrophobicContact CD2-CG2 4.42Å; F124-I206 HydrophobicContact CE1-CG2 3.82Å; F124-I206 HydrophobicContact CE2-CD1 4.41Å; F124-I206 HydrophobicContact CE2-CG2 4.26Å; F124-I206 HydrophobicContact CG-CB 4.18Å; F124-I206 HydrophobicContact CG-CG2 4.29Å; F124-I206 HydrophobicContact CZ-CG2 3.96Å; V125-I206 PolarHBondContact N-O 3.29Å; M139-I206 HydrophobicContact CE-CG2 4.23Å; M143-I206 HydrophobicContact CE-CD1 4.41Å; M143-I206 HydrophobicContact CG-CD1 4.21Å; M143-I206 HydrophobicContact SD-CD1 4.11Å; I206-V208 HydrophobicContact CG2-CG2 4.25Å
207	F	98.4	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	110.4	176.2	-61.2	-87.6	0	0	0	110.6	L82 F83 F84 V85 V125 L155 Y191 E205	L82-F207 HydrophobicContact CB-CE2 4.27Å; L82-F207 HydrophobicContact CD2-CE2 4.02Å; F83-F207 PolarHBondContact O-N 3.18Å; F84-F207 CarbonylContact C-O 3.59Å; F84-F207 WeakPolarHBondContact CA-O 3.49Å; F84-F207 HydrophobicContact CD1-CB 3.44Å; F84-F207 VanDerWaalsContact CD1-CB 3.44Å; F84-F207 HydrophobicContact CD1-CD2 4.32Å; F84-F207 HydrophobicContact CD1-CG 4.06Å; F84-F207 HydrophobicContact CE1-CB 3.51Å; F84-F207 HydrophobicContact CE1-CD1 4.32Å; F84-F207 AromaticContact CE1-CD2 3.85Å; F84-F207 HydrophobicContact CE1-CD2 3.85Å; F84-F207 AromaticContact CE1-CG 3.63Å; F84-F207 HydrophobicContact CE1-CG 3.63Å; F84-F207 HydrophobicContact CE2-CD2 4.4Å; F84-F207 HydrophobicContact CG-CB 4.27Å; F84-F207 HydrophobicContact CZ-CB 4.39Å; F84-F207 AromaticContact CZ-CD2 3.88Å; F84-F207 HydrophobicContact CZ-CD2 3.88Å; F84-F207 HydrophobicContact CZ-CE2 4.42Å; F84-F207 HydrophobicContact CZ-CG 4.12Å; V85-F207 PolarHBondContact N-O 3.44Å; V125-F207 HydrophobicContact CB-CD1 3.81Å; V125-F207 HydrophobicContact CB-CE1 4.01Å; V125-F207 HydrophobicContact CG2-CD1 4.11Å; V125-F207 HydrophobicContact CG2-CE1 3.77Å; V125-F207 CarbonylContact O-C 3.57Å; V125-F207 VanDerWaalsContact O-CA 3.25Å; V125-F207 WeakPolarHBondContact O-CA 3.48Å; L155-F207 HydrophobicContact CD1-CD1 4.22Å; Y191-F207 HydrophobicContact CD1-CD1 4.38Å; Y191-F207 AromaticContact CD1-CE1 3.36Å; Y191-F207 HydrophobicContact CD1-CE1 3.36Å; Y191-F207 AromaticContact CD1-CZ 3.87Å; Y191-F207 HydrophobicContact CD1-CZ 3.87Å; Y191-F207 HydrophobicContact CD2-CE1 4.25Å; Y191-F207 AromaticContact CE1-CE1 3.67Å; Y191-F207 HydrophobicContact CE1-CE1 3.67Å; Y191-F207 HydrophobicContact CE1-CZ 4.49Å; Y191-F207 HydrophobicContact CG-CD1 4.39Å; Y191-F207 AromaticContact CG-CE1 3.67Å; Y191-F207 HydrophobicContact CG-CE1 3.67Å; Y191-F207 HydrophobicContact CG-CZ 4.22Å; E205-F207 HydrophobicContact CB-CE2 3.62Å; E205-F207 HydrophobicContact CB-CZ 4.07Å
208	V	98.6	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.7	176.2	179.6	0	0	0	0	109.8	V85 F124 V125 S126 S127 A132 T135 A136 M139 I206	V85-V208 HydrophobicContact CB-CG2 4.17Å; V85-V208 CarbonylContact O-C 3.55Å; V85-V208 WeakPolarHBondContact O-CA 3.41Å; F124-V208 HydrophobicContact CE1-CB 4.43Å; F124-V208 HydrophobicContact CE1-CG2 3.54Å; F124-V208 HydrophobicContact CZ-CG2 3.9Å; V125-V208 PolarHBondContact O-N 3.49Å; S126-V208 CarbonylContact C-O 3.48Å; S126-V208 WeakPolarHBondContact CA-O 3.4Å; S126-V208 PolarHBondContact OG-O 2.99Å; S127-V208 PolarHBondContact N-O 3.11Å; A132-V208 HydrophobicContact CB-CG1 4.22Å; A132-V208 WeakPolarHBondContact O-CG1 3.23Å; T135-V208 HydrophobicContact CG2-CG1 3.87Å; A136-V208 HydrophobicContact CB-CB 4.01Å; A136-V208 HydrophobicContact CB-CG1 4.18Å; A136-V208 HydrophobicContact CB-CG2 3.98Å; M139-V208 HydrophobicContact CE-CG2 4.22Å; M139-V208 HydrophobicContact SD-CG2 3.69Å; I206-V208 HydrophobicContact CG2-CG2 4.25Å
209	C	98.5	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-133.2	-178	60.4	0	0	0	0	112.3	V85 H87 L155 I214	V85-C209 PolarHBondContact O-N 2.79Å; H87-C209 PolarHBondContact CD2-O 3.16Å; H87-C209 PolarHBondContact N-O 3.27Å; L155-C209 HydrophobicContact CB-CB 4.13Å; C209-I214 WeakPolarHBondContact SG-CG1 3.44Å
210	H	98.4	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.			trans	-138.5	162.6	-162	-46.9	-92.9	0	0	0	112.9	H87 S127 K129 R131 L155 E157 N212 V213 I214	H87-H210 AromaticContact CD2-CE1 3.93Å; H87-H210 AromaticContact CD2-ND1 3.22Å; H87-H210 PolarHBondContact CD2-ND1 2.92Å; H87-H210 AromaticContact NE2-ND1 3.71Å; S127-H210 VanDerWaalsContact CB-NE2 3.27Å; S127-H210 WeakPolarHBondContact CB-NE2 3.49Å; S127-H210 PolarHBondContact OG-NE2 3.26Å; K129-H210 VanDerWaalsContact CB-CE1 3.49Å; K129-H210 WeakPolarHBondContact CB-CE1 3.4Å; R131-H210 PolarHBondContact NE-ND1 3.33Å; R131-H210 PolarHBondContact NH2-CE1 3.4Å; R131-H210 PolarHBondContact NH2-ND1 2.91Å; L155-H210 PolarHBondContact O-CD2 3Å; E157-H210 HydrophobicContact CB-CB 3.76Å; E157-H210 HydrophobicContact CG-CB 3.89Å; E157-H210 PolarHBondContact N-CD2 3.17Å; E157-H210 VanDerWaalsContact N-CD2 3.26Å; E157-H210 WeakPolarHBondContact OE1-CB 3.43Å; E157-H210 WeakPolarHBondContact OE2-CB 3.29Å; H210-N212 PolarHBondContact O-N 3.42Å; H210-V213 PolarHBondContact O-N 3.46Å; H210-I214 VanDerWaalsContact O-CG1 3.26Å; H210-I214 WeakPolarHBondContact O-CG1 3.48Å; H210-I214 PolarHBondContact O-N 2.81Å
211	A	98.1	Very high	97.4	Very high	7 Å²	7	12.2 Å²	12.2	6%	0.058	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-43.3	-170.1	0	0	0	0	0	113.3	E157 R215 I234	E157-A211 PolarHBondContact OE2-N 2.95Å; A211-R215 WeakPolarHBondContact O-CB 3.38Å; A211-R215 WeakPolarHBondContact O-CG 3.39Å; A211-R215 PolarHBondContact O-N 2.75Å; A211-R215 VanDerWaalsContact O-N 3.09Å; A211-R215 PolarHBondContact O-NE 3.22Å; A211-I234 HydrophobicContact CB-CD1 4.17Å; A211-I234 HydrophobicContact CB-CG1 4.11Å
212	N	96.3	Very high	97.5	Very high	19 Å²	19	11.7 Å²	11.7	10%	0.102	6%	0.058	C	C	.	.	H	α-helix	trans	-71.4	-39.2	-176.1	-48.6	-16.1	0	0	0	110.9	E157 G158 H210 R215 Y216 W229	E157-N212 WeakPolarHBondContact OE1-CB 3.36Å; E157-N212 PolarHBondContact OE1-N 2.75Å; E157-N212 PolarHBondContact OE2-N 3.42Å; G158-N212 VanDerWaalsContact O-CB 3.24Å; G158-N212 WeakPolarHBondContact O-CB 3.24Å; G158-N212 PolarHBondContact O-ND2 3.32Å; H210-N212 PolarHBondContact O-N 3.42Å; N212-R215 PolarHBondContact OD1-NH2 3.48Å; N212-Y216 WeakPolarHBondContact O-CB 3.41Å; N212-Y216 PolarHBondContact O-N 3.03Å; N212-W229 HydrophobicContact CB-CE3 4.03Å; N212-W229 HydrophobicContact CB-CH2 4.14Å; N212-W229 HydrophobicContact CB-CZ3 3.58Å; N212-W229 WeakPolarHBondContact OD1-CZ3 3.38Å
213	V	98	Very high	97.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.2	-52.7	175.6	-179.8	0	0	0	0	111	L155 E157 I184 H210 R215 Y216 F217	L155-V213 HydrophobicContact CD2-CG1 4.42Å; E157-V213 PolarHBondContact OE1-N 2.68Å; I184-V213 HydrophobicContact CD1-CG2 4.1Å; I184-V213 HydrophobicContact CG1-CG2 4.2Å; I184-V213 HydrophobicContact CG2-CG1 4.44Å; H210-V213 PolarHBondContact O-N 3.46Å; V213-R215 PolarHBondContact O-N 2.95Å; V213-Y216 PolarHBondContact O-N 3.45Å; V213-F217 HydrophobicContact CG1-CD2 3.97Å; V213-F217 HydrophobicContact CG1-CE1 3.99Å; V213-F217 HydrophobicContact CG1-CE2 3.4Å; V213-F217 HydrophobicContact CG1-CG 4.5Å; V213-F217 HydrophobicContact CG1-CZ 3.41Å; V213-F217 VanDerWaalsContact CG1-CZ 3.41Å; V213-F217 VanDerWaalsContact O-CG 3.28Å; V213-F217 WeakPolarHBondContact O-CG 3.46Å; V213-F217 PolarHBondContact O-N 3.44Å
214	I	98.7	Very high	97.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.8	-45.7	-178.4	-64.6	171.1	0	0	0	110.9	F84 R86 C209 H210 Y216 F217 V218 I234 T240	F84-I214 HydrophobicContact CB-CD1 4.02Å; F84-I214 HydrophobicContact CB-CG1 3.94Å; F84-I214 HydrophobicContact CB-CG2 4.14Å; F84-I214 HydrophobicContact CD1-CG1 4.39Å; F84-I214 HydrophobicContact CG-CG1 4.46Å; R86-I214 HydrophobicContact CB-CD1 4.16Å; C209-I214 WeakPolarHBondContact SG-CG1 3.44Å; H210-I214 VanDerWaalsContact O-CG1 3.26Å; H210-I214 WeakPolarHBondContact O-CG1 3.48Å; H210-I214 PolarHBondContact O-N 2.81Å; I214-Y216 PolarHBondContact O-N 3.34Å; I214-F217 WeakPolarHBondContact O-CB 3.32Å; I214-F217 PolarHBondContact O-N 3.33Å; I214-V218 HydrophobicContact CG2-CG2 4.42Å; I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.21Å; I214-V218 PolarHBondContact O-N 3Å; I214-I234 HydrophobicContact CB-CD1 3.82Å; I214-I234 HydrophobicContact CD1-CD1 4.01Å; I214-I234 HydrophobicContact CG1-CD1 4.49Å; I214-I234 HydrophobicContact CG2-CD1 3.83Å; I214-T240 HydrophobicContact CG2-CG2 4.13Å
215	R	98.4	Very high	97	Very high	18 Å²	18	17.3 Å²	17.3	7%	0.068	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-40.3	-179.4	-70.4	178.5	-61.2	175.7	-9.5	112.1	A211 N212 V213 V218 C219 W229 M232 I234	A211-R215 WeakPolarHBondContact O-CB 3.38Å; A211-R215 WeakPolarHBondContact O-CG 3.39Å; A211-R215 PolarHBondContact O-N 2.75Å; A211-R215 VanDerWaalsContact O-N 3.09Å; A211-R215 PolarHBondContact O-NE 3.22Å; N212-R215 PolarHBondContact OD1-NH2 3.48Å; V213-R215 PolarHBondContact O-N 2.95Å; R215-V218 PolarHBondContact O-N 3.18Å; R215-C219 PolarHBondContact O-N 3.06Å; R215-C219 VanDerWaalsContact O-N 3.08Å; R215-W229 HydrophobicContact CB-CB 4.11Å; R215-W229 WeakPolarHBondContact CB-O 3.19Å; R215-W229 WeakPolarHBondContact CD-O 3.47Å; R215-M232 HydrophobicContact CB-CE 3.95Å; R215-M232 WeakPolarHBondContact CD-O 3.28Å; R215-M232 HydrophobicContact CG-CB 3.92Å; R215-M232 HydrophobicContact CG-CE 4.41Å; R215-M232 PolarHBondContact NH1-O 3.38Å; R215-M232 VanDerWaalsContact O-CE 3.3Å; R215-M232 WeakPolarHBondContact O-CE 3.39Å; R215-I234 HydrophobicContact CG-CD1 4.32Å; R215-I234 HydrophobicContact CG-CG1 4.38Å
216	Y	97.7	Very high	96.8	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-45.4	172.6	176.4	-99	0	0	0	112	P160 V161 I184 E185 N212 V213 I214 V218 C219 R220	P160-Y216 HydrophobicContact CB-CD1 4.24Å; P160-Y216 HydrophobicContact CB-CD2 3.43Å; P160-Y216 VanDerWaalsContact CB-CD2 3.43Å; P160-Y216 HydrophobicContact CB-CE2 4.03Å; P160-Y216 HydrophobicContact CB-CG 3.52Å; P160-Y216 HydrophobicContact CG-CD2 4.01Å; P160-Y216 HydrophobicContact CG-CG 4.08Å; V161-Y216 HydrophobicContact CG1-CE2 3.9Å; V161-Y216 HydrophobicContact CG2-CD2 4.31Å; V161-Y216 HydrophobicContact CG2-CE2 4.38Å; I184-Y216 HydrophobicContact CG2-CD1 3.36Å; I184-Y216 HydrophobicContact CG2-CE1 3.82Å; I184-Y216 HydrophobicContact CG2-CG 4.07Å; E185-Y216 PolarHBondContact OE2-OH 3.03Å; N212-Y216 WeakPolarHBondContact O-CB 3.41Å; N212-Y216 PolarHBondContact O-N 3.03Å; V213-Y216 PolarHBondContact O-N 3.45Å; I214-Y216 PolarHBondContact O-N 3.34Å; Y216-V218 VanDerWaalsContact C-N 3.31Å; Y216-V218 PolarHBondContact O-N 3.28Å; Y216-C219 PolarHBondContact O-N 3.45Å; Y216-R220 HydrophobicContact CD1-CG 3.92Å; Y216-R220 HydrophobicContact CD2-CG 4.17Å; Y216-R220 HydrophobicContact CE1-CG 3.47Å; Y216-R220 VanDerWaalsContact CE1-CG 3.47Å; Y216-R220 HydrophobicContact CE2-CG 3.75Å; Y216-R220 HydrophobicContact CG-CG 4.27Å; Y216-R220 WeakPolarHBondContact O-CG 3.48Å; Y216-R220 PolarHBondContact O-N 3.15Å; Y216-R220 WeakPolarHBondContact OH-CD 3.41Å
217	F	98.4	Very high	96.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.2	-43.4	176	-71.1	-12.6	0	0	0	112.3	F84 L155 I184 A187 F188 F192 V213 I214 C219 R220 A221	F84-F217 HydrophobicContact CD1-CD2 4.06Å; F84-F217 HydrophobicContact CD1-CE2 4.37Å; F84-F217 AromaticContact CE1-CD2 3.52Å; F84-F217 HydrophobicContact CE1-CD2 3.52Å; F84-F217 AromaticContact CE1-CE2 3.67Å; F84-F217 HydrophobicContact CE1-CE2 3.67Å; F84-F217 AromaticContact CZ-CD2 3.87Å; F84-F217 HydrophobicContact CZ-CD2 3.87Å; F84-F217 HydrophobicContact CZ-CE2 4.26Å; L155-F217 HydrophobicContact CD2-CE2 3.83Å; L155-F217 HydrophobicContact CD2-CZ 3.93Å; I184-F217 HydrophobicContact CG2-CE1 3.97Å; I184-F217 WeakPolarHBondContact O-CE1 3.3Å; A187-F217 HydrophobicContact CB-CE1 4.08Å; A187-F217 HydrophobicContact CB-CZ 3.66Å; F188-F217 HydrophobicContact CB-CD1 3.88Å; F188-F217 HydrophobicContact CB-CE1 3.75Å; F188-F217 HydrophobicContact CD2-CB 4.5Å; F188-F217 AromaticContact CD2-CD1 3.87Å; F188-F217 HydrophobicContact CD2-CD1 3.87Å; F188-F217 HydrophobicContact CD2-CG 4.42Å; F188-F217 HydrophobicContact CG-CD1 4.38Å; F192-F217 HydrophobicContact CE2-CB 3.79Å; F192-F217 HydrophobicContact CE2-CD1 4.18Å; F192-F217 AromaticContact CE2-CD2 3.6Å; F192-F217 HydrophobicContact CE2-CD2 3.6Å; F192-F217 HydrophobicContact CE2-CE2 4.15Å; F192-F217 AromaticContact CE2-CG 3.61Å; F192-F217 HydrophobicContact CE2-CG 3.61Å; F192-F217 HydrophobicContact CZ-CB 3.65Å; F192-F217 HydrophobicContact CZ-CD2 4.09Å; F192-F217 HydrophobicContact CZ-CG 4Å; V213-F217 HydrophobicContact CG1-CD2 3.97Å; V213-F217 HydrophobicContact CG1-CE1 3.99Å; V213-F217 HydrophobicContact CG1-CE2 3.4Å; V213-F217 HydrophobicContact CG1-CG 4.5Å; V213-F217 HydrophobicContact CG1-CZ 3.41Å; V213-F217 VanDerWaalsContact CG1-CZ 3.41Å; V213-F217 VanDerWaalsContact O-CG 3.28Å; V213-F217 WeakPolarHBondContact O-CG 3.46Å; V213-F217 PolarHBondContact O-N 3.44Å; I214-F217 WeakPolarHBondContact O-CB 3.32Å; I214-F217 PolarHBondContact O-N 3.33Å; F217-C219 VanDerWaalsContact C-N 3.35Å; F217-C219 PolarHBondContact O-N 3.23Å; F217-R220 PolarHBondContact O-N 3.39Å; F217-A221 WeakPolarHBondContact O-CB 3.29Å; F217-A221 PolarHBondContact O-N 2.97Å
218	V	98.5	Very high	96.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-59.1	-47.3	175.8	170.9	0	0	0	0	110.6	I214 R215 Y216 L222 M232 T240 I242 L252 L255	I214-V218 HydrophobicContact CG2-CG2 4.42Å; I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.21Å; I214-V218 PolarHBondContact O-N 3Å; R215-V218 PolarHBondContact O-N 3.18Å; Y216-V218 VanDerWaalsContact C-N 3.31Å; Y216-V218 PolarHBondContact O-N 3.28Å; V218-L222 HydrophobicContact CG1-CD1 3.99Å; V218-L222 WeakPolarHBondContact O-CB 3.48Å; V218-L222 WeakPolarHBondContact O-CG 3.2Å; V218-L222 PolarHBondContact O-N 2.95Å; V218-M232 HydrophobicContact CB-CE 4.48Å; V218-M232 HydrophobicContact CB-SD 4.28Å; V218-M232 HydrophobicContact CG1-CE 4.41Å; V218-M232 HydrophobicContact CG1-SD 3.79Å; V218-T240 HydrophobicContact CG2-CG2 3.8Å; V218-I242 HydrophobicContact CG2-CD1 4.11Å; V218-L252 HydrophobicContact CG1-CD1 4.47Å; V218-L252 HydrophobicContact CG1-CD2 3.92Å; V218-L252 HydrophobicContact CG2-CD1 4.34Å; V218-L255 HydrophobicContact CG1-CD1 4.44Å; V218-L255 HydrophobicContact CG2-CD1 3.83Å
219	C	97.1	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.2	-51.2	176.9	-72.2	0	0	0	0	112.4	R215 Y216 F217 A221 L222 Q223 I224 M232	R215-C219 PolarHBondContact O-N 3.06Å; R215-C219 VanDerWaalsContact O-N 3.08Å; Y216-C219 PolarHBondContact O-N 3.45Å; F217-C219 VanDerWaalsContact C-N 3.35Å; F217-C219 PolarHBondContact O-N 3.23Å; C219-A221 PolarHBondContact O-N 3.1Å; C219-L222 PolarHBondContact O-N 3.44Å; C219-Q223 PolarHBondContact O-N 2.84Å; C219-Q223 VanDerWaalsContact O-N 3.07Å; C219-I224 HydrophobicContact CB-CD1 4.42Å; C219-I224 HydrophobicContact CB-CG1 3.93Å; C219-I224 WeakPolarHBondContact O-CG1 3.43Å; C219-I224 PolarHBondContact O-N 3.48Å; C219-M232 WeakPolarHBondContact SG-CE 3.33Å
220	R	96.3	Very high	95.8	Very high	28 Å²	28	23.2 Å²	23.2	11%	0.106	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-43	-178.9	-71	-70.6	-66.9	108.2	1.9	112.3	E30 E185 F188 Y216 F217 Q223 S226	E30-R220 WeakPolarHBondContact OE2-CD 3.2Å; E185-R220 IonicContact OE1-CZ 3.09Å; E185-R220 IonicContact OE1-NE 3Å; E185-R220 IonicContact OE1-NH2 3.01Å; E185-R220 PolarHBondContact OE1-NH2 2.83Å; E185-R220 IonicContact OE2-CZ 3.88Å; E185-R220 IonicContact OE2-NE 2.96Å; E185-R220 PolarHBondContact OE2-NE 2.86Å; E185-R220 IonicContact OE2-NH2 3.56Å; F188-R220 HydrophobicContact CD1-CB 4.35Å; F188-R220 HydrophobicContact CD2-CB 3.7Å; F188-R220 HydrophobicContact CD2-CG 4.48Å; F188-R220 HydrophobicContact CE1-CB 4.13Å; F188-R220 HydrophobicContact CE2-CB 3.42Å; F188-R220 VanDerWaalsContact CE2-CB 3.42Å; F188-R220 HydrophobicContact CG-CB 4.16Å; F188-R220 HydrophobicContact CZ-CB 3.66Å; Y216-R220 HydrophobicContact CD1-CG 3.92Å; Y216-R220 HydrophobicContact CD2-CG 4.17Å; Y216-R220 HydrophobicContact CE1-CG 3.47Å; Y216-R220 VanDerWaalsContact CE1-CG 3.47Å; Y216-R220 HydrophobicContact CE2-CG 3.75Å; Y216-R220 HydrophobicContact CG-CG 4.27Å; Y216-R220 WeakPolarHBondContact O-CG 3.48Å; Y216-R220 PolarHBondContact O-N 3.15Å; Y216-R220 WeakPolarHBondContact OH-CD 3.41Å; F217-R220 PolarHBondContact O-N 3.39Å; R220-Q223 PolarHBondContact O-N 2.92Å; R220-S226 VanDerWaalsContact CD-OG 3.29Å; R220-S226 WeakPolarHBondContact CD-OG 3.24Å
221	A	97.1	Very high	95.7	Very high	1 Å²	1	30 Å²	30	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-68	-35.8	-178.6	0	0	0	0	0	112.1	W40 F188 F192 F217 C219 Q223 I242 V250	W40-A221 WeakPolarHBondContact CH2-O 3.49Å; F188-A221 HydrophobicContact CE2-CB 4.01Å; F188-A221 HydrophobicContact CZ-CB 4.49Å; F192-A221 HydrophobicContact CD1-CB 3.83Å; F192-A221 HydrophobicContact CE1-CB 3.64Å; F217-A221 WeakPolarHBondContact O-CB 3.29Å; F217-A221 PolarHBondContact O-N 2.97Å; C219-A221 PolarHBondContact O-N 3.1Å; A221-Q223 VanDerWaalsContact C-N 3.29Å; A221-I242 HydrophobicContact CB-CD1 4.31Å; A221-V250 HydrophobicContact CB-CG1 3.99Å; A221-V250 WeakPolarHBondContact O-CB 3.07Å
222	L	96	Very high	95.6	Very high	51 Å²	51	31.1 Å²	31.1	27%	0.267	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.5	176	-64	-178.7	0	0	0	113.5	V218 C219 I224 V250 L252	V218-L222 HydrophobicContact CG1-CD1 3.99Å; V218-L222 WeakPolarHBondContact O-CB 3.48Å; V218-L222 WeakPolarHBondContact O-CG 3.2Å; V218-L222 PolarHBondContact O-N 2.95Å; C219-L222 PolarHBondContact O-N 3.44Å; L222-I224 HydrophobicContact CB-CG1 4.29Å; L222-I224 HydrophobicContact CB-CG2 4.26Å; L222-I224 PolarHBondContact O-N 3.4Å; L222-V250 HydrophobicContact CD2-CG1 4.28Å; L222-L252 HydrophobicContact CD1-CB 4.07Å; L222-L252 HydrophobicContact CD1-CD2 3.84Å; L222-L252 HydrophobicContact CD2-CB 4.05Å; L222-L252 HydrophobicContact CG-CB 4.48Å
223	Q	94	Very high	95.6	Very high	41 Å²	41	34.3 Å²	34.3	19%	0.192	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	35.4	-175.9	-56.6	-177.7	13.2	0	0	113.2	W40 D41 C219 R220 A221	W40-Q223 HydrophobicContact CE3-CB 4.18Å; W40-Q223 HydrophobicContact CE3-CG 3.82Å; W40-Q223 HydrophobicContact CH2-CG 4.09Å; W40-Q223 HydrophobicContact CZ3-CB 4.09Å; W40-Q223 VanDerWaalsContact CZ3-CD 3.47Å; W40-Q223 HydrophobicContact CZ3-CG 3.52Å; D41-Q223 PolarHBondContact O-NE2 3.46Å; C219-Q223 PolarHBondContact O-N 2.84Å; C219-Q223 VanDerWaalsContact O-N 3.07Å; R220-Q223 PolarHBondContact O-N 2.92Å; A221-Q223 VanDerWaalsContact C-N 3.29Å
224	I	91.8	Very high	95.7	Very high	76 Å²	76	34.4 Å²	34.4	39%	0.39	17%	0.166	S	C	.	.			trans	-97.4	163.8	171	62.5	172.5	0	0	0	109.7	I33 C219 L222 S226	I33-I224 VanDerWaalsContact CD1-C 3.5Å; I33-I224 WeakPolarHBondContact CD1-O 3.02Å; C219-I224 HydrophobicContact CB-CD1 4.42Å; C219-I224 HydrophobicContact CB-CG1 3.93Å; C219-I224 WeakPolarHBondContact O-CG1 3.43Å; C219-I224 PolarHBondContact O-N 3.48Å; L222-I224 HydrophobicContact CB-CG1 4.29Å; L222-I224 HydrophobicContact CB-CG2 4.26Å; L222-I224 PolarHBondContact O-N 3.4Å; I224-S226 PolarHBondContact O-N 3.41Å
225	Q	92.2	Very high	95.7	Very high	111 Å²	111	34.5 Å²	34.5	52%	0.519	17%	0.166	S	C	.	.			trans	-56.9	114.9	-178.5	-161.5	-175.4	-1.7	0	0	111.9	I33 S227 A228	I33-Q225 VanDerWaalsContact CD1-CA 3.48Å; I33-Q225 HydrophobicContact CD1-CB 4.37Å; Q225-S227 VanDerWaalsContact CG-OG 3.25Å; Q225-S227 WeakPolarHBondContact CG-OG 3.47Å; Q225-S227 PolarHBondContact NE2-OG 3.23Å; Q225-S227 PolarHBondContact O-N 3.31Å; Q225-A228 WeakPolarHBondContact O-CB 3.23Å; Q225-A228 PolarHBondContact O-N 3.01Å
226	S	93.1	Very high	95.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-63.2	-25.7	-176	-59.9	0	0	0	0	113.5	E30 R220 I224 A228 W229	E30-S226 WeakPolarHBondContact OE2-CB 2.99Å; E30-S226 PolarHBondContact OE2-OG 2.88Å; R220-S226 VanDerWaalsContact CD-OG 3.29Å; R220-S226 WeakPolarHBondContact CD-OG 3.24Å; I224-S226 PolarHBondContact O-N 3.41Å; S226-A228 PolarHBondContact O-N 3.32Å; S226-W229 VanDerWaalsContact O-CB 3.3Å; S226-W229 WeakPolarHBondContact O-CB 3.49Å; S226-W229 PolarHBondContact O-N 2.69Å
227	S	91.3	Very high	95.7	Very high	15 Å²	15	33.8 Å²	33.8	11%	0.105	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58.2	-18.5	172.1	64.8	0	0	0	0	113.4	R162 P163 D164 Q225 W229	R162-S227 WeakPolarHBondContact O-CA 3.35Å; R162-S227 VanDerWaalsContact O-CB 3.29Å; R162-S227 WeakPolarHBondContact O-CB 3.39Å; P163-S227 CarbonylContact C-O 3.52Å; P163-S227 WeakPolarHBondContact CA-O 3.2Å; D164-S227 PolarHBondContact N-O 2.93Å; Q225-S227 VanDerWaalsContact CG-OG 3.25Å; Q225-S227 WeakPolarHBondContact CG-OG 3.47Å; Q225-S227 PolarHBondContact NE2-OG 3.23Å; Q225-S227 PolarHBondContact O-N 3.31Å; S227-W229 PolarHBondContact O-N 2.99Å
228	A	93.7	Very high	95.7	Very high	14 Å²	14	33.9 Å²	33.9	12%	0.116	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-73.1	-3.2	173.6	0	0	0	0	0	113.7	Q225 S226 R230 R231	Q225-A228 WeakPolarHBondContact O-CB 3.23Å; Q225-A228 PolarHBondContact O-N 3.01Å; S226-A228 PolarHBondContact O-N 3.32Å; A228-R230 PolarHBondContact O-N 3.35Å; A228-R231 HydrophobicContact CB-CG 4.35Å; A228-R231 WeakPolarHBondContact O-CA 3.49Å; A228-R231 WeakPolarHBondContact O-CB 3.22Å; A228-R231 WeakPolarHBondContact O-CG 3.27Å; A228-R231 PolarHBondContact O-N 3.33Å
229	W	94.6	Very high	95.8	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-53.5	-34.5	-175.2	70.3	-89.3	0	0	0	113.5	P160 V161 P163 I170 N212 R215 S226 S227 R231	P160-W229 HydrophobicContact CG-CD2 4.01Å; P160-W229 HydrophobicContact CG-CG 4.22Å; P160-W229 HydrophobicContact CG-CZ2 4.4Å; V161-W229 PolarHBondContact O-NE1 2.94Å; P163-W229 HydrophobicContact CB-CZ2 4.29Å; P163-W229 HydrophobicContact CG-CZ2 4.36Å; I170-W229 HydrophobicContact CD1-CH2 3.69Å; I170-W229 HydrophobicContact CD1-CZ2 3.93Å; I170-W229 HydrophobicContact CG2-CZ2 4.29Å; N212-W229 HydrophobicContact CB-CE3 4.03Å; N212-W229 HydrophobicContact CB-CH2 4.14Å; N212-W229 HydrophobicContact CB-CZ3 3.58Å; N212-W229 WeakPolarHBondContact OD1-CZ3 3.38Å; R215-W229 HydrophobicContact CB-CB 4.11Å; R215-W229 WeakPolarHBondContact CB-O 3.19Å; R215-W229 WeakPolarHBondContact CD-O 3.47Å; S226-W229 VanDerWaalsContact O-CB 3.3Å; S226-W229 WeakPolarHBondContact O-CB 3.49Å; S226-W229 PolarHBondContact O-N 2.69Å; S227-W229 PolarHBondContact O-N 2.99Å; W229-R231 VanDerWaalsContact C-N 3.3Å; W229-R231 PolarHBondContact O-N 3.13Å
230	R	92.8	Very high	95.8	Very high	102 Å²	102	34.2 Å²	34.2	39%	0.385	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-74.6	-14.1	176.3	-83	-72.9	-76	-177.6	-1.4	114.9	P163 D167 I170 A228 M232	P163-R230 HydrophobicContact CB-CB 3.76Å; P163-R230 HydrophobicContact CB-CG 3.51Å; P163-R230 HydrophobicContact CG-CG 4.13Å; D167-R230 IonicContact OD2-CZ 3Å; D167-R230 IonicContact OD2-NE 3.93Å; D167-R230 IonicContact OD2-NH2 2.81Å; D167-R230 PolarHBondContact OD2-NH2 2.67Å; I170-R230 HydrophobicContact CD1-CG 3.56Å; A228-R230 PolarHBondContact O-N 3.35Å; R230-M232 PolarHBondContact O-N 3.49Å
231	R	95.1	Very high	96	Very high	143 Å²	143	35.1 Å²	35.1	54%	0.54	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-76.8	-9.8	177.9	-52.5	-179.6	-169.3	170	0.3	112.5	D164 A228 W229	D164-R231 PolarHBondContact O-NE 2.79Å; D164-R231 PolarHBondContact O-NH2 3.3Å; D164-R231 IonicContact OD2-NH2 3.72Å; D164-R231 PolarHBondContact OD2-NH2 3.43Å; A228-R231 HydrophobicContact CB-CG 4.35Å; A228-R231 WeakPolarHBondContact O-CA 3.49Å; A228-R231 WeakPolarHBondContact O-CB 3.22Å; A228-R231 WeakPolarHBondContact O-CG 3.27Å; A228-R231 PolarHBondContact O-N 3.33Å; W229-R231 VanDerWaalsContact C-N 3.3Å; W229-R231 PolarHBondContact O-N 3.13Å
232	M	96.8	Very high	96	Very high	31 Å²	31	35.1 Å²	35.1	15%	0.153	17%	0.169	C	C	.	.			trans	-100.5	136.4	174.6	-66.6	173.2	-78	0	0	110.1	R215 V218 C219 R230 L255	R215-M232 HydrophobicContact CB-CE 3.95Å; R215-M232 WeakPolarHBondContact CD-O 3.28Å; R215-M232 HydrophobicContact CG-CB 3.92Å; R215-M232 HydrophobicContact CG-CE 4.41Å; R215-M232 PolarHBondContact NH1-O 3.38Å; R215-M232 VanDerWaalsContact O-CE 3.3Å; R215-M232 WeakPolarHBondContact O-CE 3.39Å; V218-M232 HydrophobicContact CB-CE 4.48Å; V218-M232 HydrophobicContact CB-SD 4.28Å; V218-M232 HydrophobicContact CG1-CE 4.41Å; V218-M232 HydrophobicContact CG1-SD 3.79Å; C219-M232 WeakPolarHBondContact SG-CE 3.33Å; R230-M232 PolarHBondContact O-N 3.49Å; M232-L255 HydrophobicContact CB-CD2 4.39Å; M232-L255 HydrophobicContact CG-CD2 3.98Å; M232-L255 HydrophobicContact SD-CD2 3.74Å
233	S	97	Very high	96.2	Very high	85 Å²	85	35.9 Å²	35.9	59%	0.594	17%	0.17	S	C	*	.			trans	-113.9	136.4	169.2	-167.9	0	0	0	0	109.1	Y268	S233-Y268 WeakPolarHBondContact OG-CD1 3.27Å; S233-Y268 VanDerWaalsContact OG-CE1 3.25Å; S233-Y268 WeakPolarHBondContact OG-CE1 3.26Å
234	I	98.4	Very high	96.3	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	16%	0.161	C	C	.	.			trans	-137	127.7	179.3	53	164.8	0	0	0	108.7	R86 A211 I214 R215 L255	R86-I234 HydrophobicContact CB-CD1 4.44Å; R86-I234 PolarHBondContact NH1-O 3.37Å; A211-I234 HydrophobicContact CB-CD1 4.17Å; A211-I234 HydrophobicContact CB-CG1 4.11Å; I214-I234 HydrophobicContact CB-CD1 3.82Å; I214-I234 HydrophobicContact CD1-CD1 4.01Å; I214-I234 HydrophobicContact CG1-CD1 4.49Å; I214-I234 HydrophobicContact CG2-CD1 3.83Å; R215-I234 HydrophobicContact CG-CD1 4.32Å; R215-I234 HydrophobicContact CG-CG1 4.38Å; I234-L255 HydrophobicContact CG2-CD1 3.96Å; I234-L255 HydrophobicContact CG2-CG 4.17Å
235	A	98.6	Very high	96.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	15%	0.147	C	C	.	.			trans	-72.6	163.9	-176.2	0	0	0	0	0	112.7	R86 S238 T258 I266 T267 Y268	R86-A235 WeakPolarHBondContact CD-O 3.35Å; A235-S238 PolarHBondContact N-OG 3.13Å; A235-S238 WeakPolarHBondContact O-CB 3.31Å; A235-S238 PolarHBondContact O-N 3.02Å; A235-S238 VanDerWaalsContact O-N 3.16Å; A235-S238 PolarHBondContact O-OG 3.15Å; A235-T258 HydrophobicContact CB-CG2 3.62Å; A235-I266 HydrophobicContact CB-CG2 3.89Å; A235-T267 CarbonylContact C-O 3.53Å; A235-T267 VanDerWaalsContact CA-O 3.29Å; A235-T267 WeakPolarHBondContact CA-O 3.44Å; A235-T267 VanDerWaalsContact CB-O 3.24Å; A235-T267 WeakPolarHBondContact CB-O 3.49Å; A235-Y268 HydrophobicContact CB-CD1 4.03Å; A235-Y268 HydrophobicContact CB-CD2 4.44Å; A235-Y268 HydrophobicContact CB-CE1 3.78Å; A235-Y268 HydrophobicContact CB-CE2 4.21Å; A235-Y268 HydrophobicContact CB-CG 4.36Å
236	N	98.8	Very high	96.4	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.027	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	139.2	170	-73.5	103.3	0	0	0	111	H87 G88 E89 S238 T267 Y268	H87-N236 WeakPolarHBondContact O-CA 3.43Å; H87-N236 PolarHBondContact O-ND2 3.29Å; G88-N236 VanDerWaalsContact C-ND2 3.33Å; G88-N236 PolarHBondContact O-ND2 2.95Å; E89-N236 PolarHBondContact N-ND2 3.45Å; N236-S238 PolarHBondContact O-N 2.76Å; N236-T267 PolarHBondContact N-O 3.34Å; N236-T267 PolarHBondContact OD1-O 3.41Å; N236-T267 PolarHBondContact OD1-OG1 2.65Å; N236-Y268 PolarHBondContact OD1-N 2.84Å
237	C	98.8	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	20.2	-173.2	-73.1	0	0	0	0	115.2	R86 H87 G88 Q106 A107 C110 M261	R86-C237 WeakPolarHBondContact O-CA 3.42Å; R86-C237 PolarHBondContact O-N 2.96Å; H87-C237 PolarHBondContact O-N 3.38Å; G88-C237 WeakPolarHBondContact CA-SG 3.47Å; G88-C237 PolarHBondContact N-SG 3.44Å; G88-C237 VanDerWaalsContact N-SG 3.4Å; Q106-C237 HydrophobicContact CB-CB 3.9Å; Q106-C237 WeakPolarHBondContact O-CB 3.37Å; A107-C237 VanDerWaalsContact CA-SG 3.53Å; A107-C237 PolarHBondContact N-SG 2.91Å; C110-C237 HydrophobicContact CB-CB 4.02Å; C237-M261 HydrophobicContact CB-CE 3.4Å; C237-M261 WeakPolarHBondContact O-CE 3.28Å
238	S	98.8	Very high	96.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	14%	0.14	C	C	.	.			trans	-71	146.9	172.6	67	0	0	0	0	112.2	V85 R86 A235 N236 D257 T258	V85-S238 WeakPolarHBondContact CA-O 3.39Å; R86-S238 PolarHBondContact N-O 3.46Å; A235-S238 PolarHBondContact N-OG 3.13Å; A235-S238 WeakPolarHBondContact O-CB 3.31Å; A235-S238 PolarHBondContact O-N 3.02Å; A235-S238 VanDerWaalsContact O-N 3.16Å; A235-S238 PolarHBondContact O-OG 3.15Å; N236-S238 PolarHBondContact O-N 2.76Å; S238-D257 VanDerWaalsContact CA-O 3.31Å; S238-D257 WeakPolarHBondContact CA-O 3.48Å; S238-T258 VanDerWaalsContact CB-CG2 3.46Å
239	I	98.8	Very high	96.3	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.2	-179.3	-57.6	168.2	0	0	0	109.4	F83 V85 R113 L114 G256 D257 F260	F83-I239 HydrophobicContact CD1-CG2 3.9Å; V85-I239 HydrophobicContact CG2-CG1 4.32Å; R113-I239 HydrophobicContact CB-CD1 4.39Å; R113-I239 HydrophobicContact CG-CD1 3.82Å; L114-I239 HydrophobicContact CD2-CD1 3.84Å; L114-I239 HydrophobicContact CD2-CG1 4.5Å; L114-I239 HydrophobicContact CD2-CG2 4.33Å; L114-I239 HydrophobicContact CG-CD1 3.85Å; I239-G256 PolarHBondContact O-N 3.02Å; I239-D257 HydrophobicContact CB-CB 4.4Å; I239-D257 PolarHBondContact N-O 2.95Å; I239-D257 WeakPolarHBondContact O-CB 3.47Å; I239-D257 PolarHBondContact O-N 3.18Å; I239-F260 HydrophobicContact CD1-CD1 4.4Å; I239-F260 HydrophobicContact CD1-CE1 3.59Å; I239-F260 HydrophobicContact CD1-CZ 3.95Å; I239-F260 HydrophobicContact CG1-CE1 4.01Å; I239-F260 HydrophobicContact CG1-CZ 4.21Å
240	T	98.9	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123	170.3	-62.4	0	0	0	0	108.5	F83 F84 I214 V218 L252 S254 L255 G256	F83-T240 CarbonylContact C-O 3.14Å; F83-T240 WeakPolarHBondContact CA-O 3.41Å; F84-T240 PolarHBondContact N-O 3.42Å; F84-T240 PolarHBondContact O-N 3.07Å; I214-T240 HydrophobicContact CG2-CG2 4.13Å; V218-T240 HydrophobicContact CG2-CG2 3.8Å; T240-L252 HydrophobicContact CG2-CD1 3.9Å; T240-S254 CarbonylContact C-O 3.38Å; T240-S254 WeakPolarHBondContact CA-O 3.32Å; T240-L255 HydrophobicContact CG2-CD1 3.76Å; T240-G256 PolarHBondContact OG1-N 3.03Å; T240-G256 VanDerWaalsContact OG1-N 3.15Å
241	W	98.7	Very high	96.6	Very high	47 Å²	47	32.6 Å²	32.6	18%	0.178	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.9	-175.1	178.6	8.7	0	0	0	110.5	N81 L82 F83 F119 R253 S254	N81-W241 PolarHBondContact OD1-NE1 2.92Å; N81-W241 VanDerWaalsContact OD1-NE1 3.17Å; L82-W241 WeakPolarHBondContact O-CA 3.34Å; F83-W241 HydrophobicContact CD1-CB 4.17Å; F83-W241 HydrophobicContact CD1-CD2 4.41Å; F83-W241 HydrophobicContact CD1-CG 4.13Å; F83-W241 HydrophobicContact CE1-CB 4.12Å; F83-W241 AromaticContact CE1-CD2 3.52Å; F83-W241 HydrophobicContact CE1-CD2 3.52Å; F83-W241 AromaticContact CE1-CE2 3.96Å; F83-W241 AromaticContact CE1-CE3 3.72Å; F83-W241 HydrophobicContact CE1-CE3 3.72Å; F83-W241 AromaticContact CE1-CG 3.7Å; F83-W241 HydrophobicContact CE1-CG 3.7Å; F83-W241 HydrophobicContact CE1-CZ3 4.29Å; F83-W241 HydrophobicContact CE2-CD2 4.44Å; F83-W241 HydrophobicContact CE2-CG 4.48Å; F83-W241 AromaticContact CE2-NE1 3.96Å; F83-W241 AromaticContact CZ-CD1 3.91Å; F83-W241 AromaticContact CZ-CD2 3.54Å; F83-W241 HydrophobicContact CZ-CD2 3.54Å; F83-W241 AromaticContact CZ-CE2 3.44Å; F83-W241 VanDerWaalsContact CZ-CE2 3.44Å; F83-W241 AromaticContact CZ-CE3 3.97Å; F83-W241 HydrophobicContact CZ-CE3 3.97Å; F83-W241 AromaticContact CZ-CG 3.9Å; F83-W241 HydrophobicContact CZ-CG 3.9Å; F83-W241 HydrophobicContact CZ-CH2 4.19Å; F83-W241 AromaticContact CZ-CZ2 3.8Å; F83-W241 HydrophobicContact CZ-CZ2 3.8Å; F83-W241 HydrophobicContact CZ-CZ3 4.27Å; F83-W241 AromaticContact CZ-NE1 3.73Å; F119-W241 AromaticContact CE2-CH2 3.74Å; F119-W241 HydrophobicContact CE2-CH2 3.74Å; F119-W241 HydrophobicContact CE2-CZ2 4.24Å; F119-W241 HydrophobicContact CE2-CZ3 4.3Å; F119-W241 AromaticContact CZ-CH2 3.76Å; F119-W241 HydrophobicContact CZ-CH2 3.76Å; F119-W241 HydrophobicContact CZ-CZ2 4.31Å; W241-R253 HydrophobicContact CB-CB 4.08Å; W241-R253 HydrophobicContact CD2-CB 3.81Å; W241-R253 HydrophobicContact CD2-CG 4.12Å; W241-R253 HydrophobicContact CE3-CB 4.1Å; W241-R253 HydrophobicContact CG-CB 3.81Å; W241-R253 HydrophobicContact CG-CG 4.22Å; W241-R253 PolarHBondContact O-N 2.82Å; W241-S254 PolarHBondContact N-O 3.11Å; W241-S254 PolarHBondContact O-N 3.5Å
242	I	98.8	Very high	96.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.4	175	-61.2	173.3	0	0	0	109.3	L82 F84 F192 V218 A221 I244 V250 N251 L252	L82-I242 PolarHBondContact N-O 3.38Å; L82-I242 PolarHBondContact O-N 3.12Å; F84-I242 HydrophobicContact CD2-CD1 4.44Å; F84-I242 HydrophobicContact CE2-CD1 4.38Å; F192-I242 HydrophobicContact CE1-CD1 3.74Å; F192-I242 HydrophobicContact CE1-CG2 4.25Å; F192-I242 HydrophobicContact CZ-CD1 3.98Å; V218-I242 HydrophobicContact CG2-CD1 4.11Å; A221-I242 HydrophobicContact CB-CD1 4.31Å; I242-I244 HydrophobicContact CG2-CG1 4.3Å; I242-V250 HydrophobicContact CG2-CG1 3.49Å; I242-V250 VanDerWaalsContact CG2-CG1 3.49Å; I242-N251 WeakPolarHBondContact CA-O 3.38Å; I242-L252 HydrophobicContact CG1-CD1 3.84Å
243	K	98.3	Very high	96.8	Very high	66 Å²	66	35 Å²	35	29%	0.287	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.1	173.9	-179.7	-180	-176.2	174.4	0	109.9	S79 R80 V250 N251 R253	S79-K243 WeakPolarHBondContact OG-CE 3.45Å; R80-K243 WeakPolarHBondContact O-CA 3.39Å; K243-V250 CarbonylContact O-C 3.6Å; K243-V250 WeakPolarHBondContact O-CA 3.39Å; K243-N251 HydrophobicContact CB-CB 4.45Å; K243-N251 PolarHBondContact N-O 3.47Å; K243-N251 PolarHBondContact O-N 3.32Å; K243-R253 HydrophobicContact CB-CG 4.22Å
244	I	97.6	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.2	175.7	-48.5	179.9	0	0	0	108.6	W44 S79 R80 L82 F192 R194 I242 R249 V250	W44-I244 HydrophobicContact CH2-CD1 4.14Å; W44-I244 HydrophobicContact CZ2-CD1 4.44Å; W44-I244 HydrophobicContact CZ2-CG2 4.02Å; S79-I244 CarbonylContact C-O 3.45Å; S79-I244 VanDerWaalsContact CA-O 3.23Å; S79-I244 WeakPolarHBondContact CA-O 3.23Å; S79-I244 WeakPolarHBondContact CB-O 3.37Å; R80-I244 PolarHBondContact N-O 3.43Å; R80-I244 PolarHBondContact O-N 2.9Å; L82-I244 HydrophobicContact CD1-CD1 3.76Å; L82-I244 HydrophobicContact CD1-CG1 4.49Å; L82-I244 HydrophobicContact CG-CD1 4.48Å; F192-I244 HydrophobicContact CD1-CD1 3.98Å; R194-I244 HydrophobicContact CB-CG2 4.43Å; I242-I244 HydrophobicContact CG2-CG1 4.3Å; I244-R249 WeakPolarHBondContact CA-O 3.33Å; I244-V250 HydrophobicContact CG1-CG2 4.29Å; I244-V250 HydrophobicContact CG2-CG2 4.4Å
245	S	94.4	Very high	96.9	Very high	12 Å²	12	35.6 Å²	35.6	8%	0.084	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	165.2	176.1	63.2	0	0	0	0	112.1	P195 S247 G248 R249	P195-S245 WeakPolarHBondContact CD-O 3.33Å; S245-S247 PolarHBondContact O-N 3Å; S245-S247 PolarHBondContact OG-OG 3.28Å; S245-G248 WeakPolarHBondContact O-CA 3.48Å; S245-G248 PolarHBondContact O-N 2.9Å; S245-R249 PolarHBondContact N-O 2.89Å; S245-R249 VanDerWaalsContact OG-CB 3.31Å; S245-R249 WeakPolarHBondContact OG-CB 3.41Å; S245-R249 PolarHBondContact OG-N 3.32Å; S245-R249 VanDerWaalsContact OG-N 3.15Å; S245-R249 PolarHBondContact OG-O 3.13Å
246	Q	91.9	Very high	96.9	Very high	75 Å²	75	36.3 Å²	36.3	35%	0.35	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31	172.4	-166.7	175	11.8	0	0	113.4	I78 P195 G248	I78-Q246 PolarHBondContact O-N 3.36Å; I78-Q246 VanDerWaalsContact O-N 3.17Å; P195-Q246 HydrophobicContact CG-CB 4.42Å; Q246-G248 PolarHBondContact O-N 2.92Å
247	S	89.5	Confident	96.9	Very high	21 Å²	21	38.1 Å²	38.1	15%	0.147	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-3.6	172.9	52.1	0	0	0	0	114	D70 S245 R249	D70-S247 WeakPolarHBondContact OD1-CB 3.47Å; D70-S247 PolarHBondContact OD1-OG 2.89Å; S245-S247 PolarHBondContact O-N 3Å; S245-S247 PolarHBondContact OG-OG 3.28Å; S247-R249 VanDerWaalsContact C-N 3.28Å; S247-R249 PolarHBondContact O-N 3.28Å
248	G	92.2	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.			trans	82.6	0.2	-175.7	0	0	0	0	0	113.6	W40 W44 S245 Q246	W40-G248 WeakPolarHBondContact CZ2-O 3.49Å; W44-G248 PolarHBondContact NE1-O 3.46Å; S245-G248 WeakPolarHBondContact O-CA 3.48Å; S245-G248 PolarHBondContact O-N 2.9Å; Q246-G248 PolarHBondContact O-N 2.92Å
249	R	93.2	Very high	96.8	Very high	97 Å²	97	42.3 Å²	42.3	37%	0.366	22%	0.224	S	C	.	.			trans	-68.3	133.8	178.1	-164.3	177.6	-141.1	129.3	7.3	110.7	D67 D70 I244 S245 S247	D67-R249 IonicContact OD1-NH1 3.89Å; D70-R249 IonicContact OD2-NH1 3.34Å; D70-R249 PolarHBondContact OD2-NH1 2.76Å; I244-R249 WeakPolarHBondContact CA-O 3.33Å; S245-R249 PolarHBondContact N-O 2.89Å; S245-R249 VanDerWaalsContact OG-CB 3.31Å; S245-R249 WeakPolarHBondContact OG-CB 3.41Å; S245-R249 PolarHBondContact OG-N 3.32Å; S245-R249 VanDerWaalsContact OG-N 3.15Å; S245-R249 PolarHBondContact OG-O 3.13Å; S247-R249 VanDerWaalsContact C-N 3.28Å; S247-R249 PolarHBondContact O-N 3.28Å
250	V	96.9	Very high	96.8	Very high	12 Å²	12	44 Å²	44	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.5	179.7	-178.7	0	0	0	0	110.5	W40 W44 A221 L222 I242 K243 I244	W40-V250 HydrophobicContact CH2-CB 3.77Å; W40-V250 HydrophobicContact CH2-CG2 3.66Å; W40-V250 HydrophobicContact CZ2-CB 4.45Å; W40-V250 HydrophobicContact CZ2-CG2 4.11Å; W44-V250 HydrophobicContact CZ2-CG2 3.82Å; A221-V250 HydrophobicContact CB-CG1 3.99Å; A221-V250 WeakPolarHBondContact O-CB 3.07Å; L222-V250 HydrophobicContact CD2-CG1 4.28Å; I242-V250 HydrophobicContact CG2-CG1 3.49Å; I242-V250 VanDerWaalsContact CG2-CG1 3.49Å; K243-V250 CarbonylContact O-C 3.6Å; K243-V250 WeakPolarHBondContact O-CA 3.39Å; I244-V250 HydrophobicContact CG1-CG2 4.29Å; I244-V250 HydrophobicContact CG2-CG2 4.4Å
251	N	97.4	Very high	96.8	Very high	76 Å²	76	44.6 Å²	44.6	41%	0.406	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.9	173	-69.7	-92.3	0	0	0	110	I242 K243 R253	I242-N251 WeakPolarHBondContact CA-O 3.38Å; K243-N251 HydrophobicContact CB-CB 4.45Å; K243-N251 PolarHBondContact N-O 3.47Å; K243-N251 PolarHBondContact O-N 3.32Å; N251-R253 PolarHBondContact O-N 2.87Å
252	L	98.5	Very high	96.7	Very high	57 Å²	57	45.1 Å²	45.1	30%	0.298	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.3	166.5	178.7	66.9	0	0	0	108.4	V218 L222 T240 I242 S254 L255	V218-L252 HydrophobicContact CG1-CD1 4.47Å; V218-L252 HydrophobicContact CG1-CD2 3.92Å; V218-L252 HydrophobicContact CG2-CD1 4.34Å; L222-L252 HydrophobicContact CD1-CB 4.07Å; L222-L252 HydrophobicContact CD1-CD2 3.84Å; L222-L252 HydrophobicContact CD2-CB 4.05Å; L222-L252 HydrophobicContact CG-CB 4.48Å; T240-L252 HydrophobicContact CG2-CD1 3.9Å; I242-L252 HydrophobicContact CG1-CD1 3.84Å; L252-S254 VanDerWaalsContact CD1-O 3.31Å; L252-S254 WeakPolarHBondContact CD1-O 3.36Å; L252-L255 HydrophobicContact CD1-CB 4.36Å; L252-L255 HydrophobicContact CD2-CB 4.11Å; L252-L255 HydrophobicContact CG-CB 4.5Å
253	R	98.1	Very high	96.7	Very high	166 Å²	166	49.2 Å²	49.2	63%	0.626	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	-35.2	-177.8	-65	-68.4	-68.7	-177.9	-2.3	112.2	W241 K243 N251	W241-R253 HydrophobicContact CB-CB 4.08Å; W241-R253 HydrophobicContact CD2-CB 3.81Å; W241-R253 HydrophobicContact CD2-CG 4.12Å; W241-R253 HydrophobicContact CE3-CB 4.1Å; W241-R253 HydrophobicContact CG-CB 3.81Å; W241-R253 HydrophobicContact CG-CG 4.22Å; W241-R253 PolarHBondContact O-N 2.82Å; K243-R253 HydrophobicContact CB-CG 4.22Å; N251-R253 PolarHBondContact O-N 2.87Å
254	S	98.2	Very high	96.7	Very high	38 Å²	38	52.4 Å²	52.4	27%	0.266	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	149.8	174.4	-170.9	0	0	0	0	110.1	T240 W241 L252 D257	T240-S254 CarbonylContact C-O 3.38Å; T240-S254 WeakPolarHBondContact CA-O 3.32Å; W241-S254 PolarHBondContact N-O 3.11Å; W241-S254 PolarHBondContact O-N 3.5Å; L252-S254 VanDerWaalsContact CD1-O 3.31Å; L252-S254 WeakPolarHBondContact CD1-O 3.36Å; S254-D257 WeakPolarHBondContact OG-CB 3.49Å
255	L	98.6	Very high	96.7	Very high	63 Å²	63	54.6 Å²	54.6	33%	0.33	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.5	177.3	178.3	66.1	0	0	0	109.2	V218 M232 I234 T240 L252 D257	V218-L255 HydrophobicContact CG1-CD1 4.44Å; V218-L255 HydrophobicContact CG2-CD1 3.83Å; M232-L255 HydrophobicContact CB-CD2 4.39Å; M232-L255 HydrophobicContact CG-CD2 3.98Å; M232-L255 HydrophobicContact SD-CD2 3.74Å; I234-L255 HydrophobicContact CG2-CD1 3.96Å; I234-L255 HydrophobicContact CG2-CG 4.17Å; T240-L255 HydrophobicContact CG2-CD1 3.76Å; L252-L255 HydrophobicContact CD1-CB 4.36Å; L252-L255 HydrophobicContact CD2-CB 4.11Å; L252-L255 HydrophobicContact CG-CB 4.5Å; L255-D257 PolarHBondContact O-N 3.38Å
256	G	98.5	Very high	96.9	Very high	16 Å²	16	56.6 Å²	56.6	17%	0.165	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.3	35.2	175.8	0	0	0	0	0	114.6	I239 T240 T258	I239-G256 PolarHBondContact O-N 3.02Å; T240-G256 PolarHBondContact OG1-N 3.03Å; T240-G256 VanDerWaalsContact OG1-N 3.15Å; G256-T258 PolarHBondContact O-N 3.17Å
257	D	98.6	Very high	97.2	Very high	44 Å²	44	54.6 Å²	54.6	24%	0.235	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	120.3	177.8	-176	7.9	0	0	0	110.9	S238 I239 S254 L255 G259 F260	S238-D257 VanDerWaalsContact CA-O 3.31Å; S238-D257 WeakPolarHBondContact CA-O 3.48Å; I239-D257 HydrophobicContact CB-CB 4.4Å; I239-D257 PolarHBondContact N-O 2.95Å; I239-D257 WeakPolarHBondContact O-CB 3.47Å; I239-D257 PolarHBondContact O-N 3.18Å; S254-D257 WeakPolarHBondContact OG-CB 3.49Å; L255-D257 PolarHBondContact O-N 3.38Å; D257-G259 PolarHBondContact OD1-N 2.86Å; D257-F260 VanDerWaalsContact O-CE1 3.26Å; D257-F260 WeakPolarHBondContact O-CE1 3.4Å
258	T	98.4	Very high	97.6	Very high	15 Å²	15	61.3 Å²	61.3	9%	0.092	33%	0.334	C	S	.	.			trans	-130.8	20.3	167.7	57.4	0	0	0	0	111.6	A235 S238 G256 F260 M261	A235-T258 HydrophobicContact CB-CG2 3.62Å; S238-T258 VanDerWaalsContact CB-CG2 3.46Å; G256-T258 PolarHBondContact O-N 3.17Å; T258-F260 PolarHBondContact O-N 3.16Å; T258-M261 HydrophobicContact CG2-CE 4.13Å; T258-M261 HydrophobicContact CG2-SD 4.28Å; T258-M261 PolarHBondContact O-N 3.31Å
259	G	97.9	Very high	97.8	Very high	73 Å²	73	64.4 Å²	64.4	75%	0.753	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.7	-178.4	0	0	0	0	0	113.8	D257	D257-G259 PolarHBondContact OD1-N 2.86Å
260	F	98.1	Very high	98.1	Very high	43 Å²	43	62.7 Å²	62.7	19%	0.189	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.2	173.5	60.9	-91.7	0	0	0	113.7	L109 C110 R113 I239 D257 T258	L109-F260 HydrophobicContact CB-CD2 4.16Å; L109-F260 HydrophobicContact CB-CE2 4.2Å; L109-F260 WeakPolarHBondContact O-CD2 3.46Å; C110-F260 VanDerWaalsContact CA-CE2 3.41Å; C110-F260 HydrophobicContact CB-CE2 3.95Å; C110-F260 HydrophobicContact CB-CZ 3.96Å; R113-F260 HydrophobicContact CB-CB 4.07Å; R113-F260 HydrophobicContact CB-CD1 4.01Å; R113-F260 HydrophobicContact CB-CD2 3.81Å; R113-F260 HydrophobicContact CB-CE1 4.36Å; R113-F260 HydrophobicContact CB-CE2 4.21Å; R113-F260 HydrophobicContact CB-CG 3.69Å; R113-F260 HydrophobicContact CB-CZ 4.45Å; R113-F260 HydrophobicContact CG-CB 3.99Å; R113-F260 HydrophobicContact CG-CD1 3.57Å; R113-F260 HydrophobicContact CG-CD2 4.3Å; R113-F260 HydrophobicContact CG-CE1 4.03Å; R113-F260 HydrophobicContact CG-CG 3.69Å; I239-F260 HydrophobicContact CD1-CD1 4.4Å; I239-F260 HydrophobicContact CD1-CE1 3.59Å; I239-F260 HydrophobicContact CD1-CZ 3.95Å; I239-F260 HydrophobicContact CG1-CE1 4.01Å; I239-F260 HydrophobicContact CG1-CZ 4.21Å; D257-F260 VanDerWaalsContact O-CE1 3.26Å; D257-F260 WeakPolarHBondContact O-CE1 3.4Å; T258-F260 PolarHBondContact O-N 3.16Å
261	M	98.3	Very high	98.2	Very high	13 Å²	13	65.5 Å²	65.5	6%	0.064	37%	0.366	C	S	.	.	S	Bend	trans	-96.2	141.6	178.2	-60.8	-174.1	-164	0	0	111.1	Q106 L109 C237 T258 I266	Q106-M261 HydrophobicContact CB-CE 4.38Å; Q106-M261 HydrophobicContact CB-SD 4.42Å; Q106-M261 HydrophobicContact CG-SD 4.15Å; L109-M261 HydrophobicContact CB-CG 4.43Å; L109-M261 HydrophobicContact CD1-CB 4.48Å; L109-M261 HydrophobicContact CD1-CG 4.24Å; C237-M261 HydrophobicContact CB-CE 3.4Å; C237-M261 WeakPolarHBondContact O-CE 3.28Å; T258-M261 HydrophobicContact CG2-CE 4.13Å; T258-M261 HydrophobicContact CG2-SD 4.28Å; T258-M261 PolarHBondContact O-N 3.31Å; M261-I266 HydrophobicContact CB-CG1 4.07Å
262	P	98.2	Very high	98.2	Very high	59 Å²	59	64.9 Å²	64.9	38%	0.383	36%	0.363	S	S	.	.			trans	-55.2	141.7	165.7	-25.5	35.8	0	0	0	111.6	N264 M265	P262-N264 VanDerWaalsContact CB-OD1 3.27Å; P262-N264 WeakPolarHBondContact CB-OD1 3.49Å; P262-N264 PolarHBondContact O-N 3.44Å; P262-N264 VanDerWaalsContact O-N 3.13Å; P262-M265 HydrophobicContact CB-CG 4.35Å; P262-M265 HydrophobicContact CG-SD 4.17Å; P262-M265 WeakPolarHBondContact O-CB 3.4Å; P262-M265 PolarHBondContact O-N 3.24Å
263	A	97.9	Very high	98.2	Very high	88 Å²	88	65.4 Å²	65.4	73%	0.727	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-57.3	-33.8	-173.8	0	0	0	0	0	113.8	M265 I266	A263-M265 PolarHBondContact O-N 3.48Å; A263-I266 PolarHBondContact O-N 3.42Å
264	N	98.1	Very high	98.2	Very high	133 Å²	133	58.7 Å²	58.7	71%	0.711	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-74.3	-4	177.7	67.6	-36.3	0	0	0	114.2	P262	P262-N264 VanDerWaalsContact CB-OD1 3.27Å; P262-N264 WeakPolarHBondContact CB-OD1 3.49Å; P262-N264 PolarHBondContact O-N 3.44Å; P262-N264 VanDerWaalsContact O-N 3.13Å
265	M	98.4	Very high	98.2	Very high	46 Å²	46	60.1 Å²	60.1	23%	0.227	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-107.7	-2.7	177	-63.9	-171.2	176.9	0	0	113.1	L102 Q106 L109 P262 A263 T267	L102-M265 HydrophobicContact CD1-CB 3.91Å; L102-M265 HydrophobicContact CD1-CG 3.88Å; Q106-M265 PolarHBondContact NE2-O 2.82Å; L109-M265 HydrophobicContact CD1-SD 3.8Å; P262-M265 HydrophobicContact CB-CG 4.35Å; P262-M265 HydrophobicContact CG-SD 4.17Å; P262-M265 WeakPolarHBondContact O-CB 3.4Å; P262-M265 PolarHBondContact O-N 3.24Å; A263-M265 PolarHBondContact O-N 3.48Å; M265-T267 PolarHBondContact O-N 3.01Å
266	I	98.6	Very high	98.2	Very high	54 Å²	54	59.9 Å²	59.9	28%	0.277	36%	0.358	S	S	.	.			trans	-83	116.4	-179.1	-60.9	174.1	0	0	0	109.4	A235 M261 A263 Y268	A235-I266 HydrophobicContact CB-CG2 3.89Å; M261-I266 HydrophobicContact CB-CG1 4.07Å; A263-I266 PolarHBondContact O-N 3.42Å; I266-Y268 HydrophobicContact CG2-CE2 3.98Å
267	T	98.5	Very high	98.1	Very high	32 Å²	32	63.6 Å²	63.6	20%	0.196	37%	0.374	C	S	.	.			trans	-130.3	163.7	176.2	65.4	0	0	0	0	111.7	E89 L102 Q106 A235 N236 M265	E89-T267 WeakPolarHBondContact OE1-CB 3.29Å; E89-T267 VanDerWaalsContact OE1-CG2 3.28Å; E89-T267 WeakPolarHBondContact OE1-CG2 3.39Å; E89-T267 PolarHBondContact OE1-OG1 3.32Å; L102-T267 HydrophobicContact CD2-CG2 3.87Å; Q106-T267 PolarHBondContact NE2-OG1 3.31Å; A235-T267 CarbonylContact C-O 3.53Å; A235-T267 VanDerWaalsContact CA-O 3.29Å; A235-T267 WeakPolarHBondContact CA-O 3.44Å; A235-T267 VanDerWaalsContact CB-O 3.24Å; A235-T267 WeakPolarHBondContact CB-O 3.49Å; N236-T267 PolarHBondContact N-O 3.34Å; N236-T267 PolarHBondContact OD1-O 3.41Å; N236-T267 PolarHBondContact OD1-OG1 2.65Å; M265-T267 PolarHBondContact O-N 3.01Å
268	Y	96.7	Very high	98.1	Very high	163 Å²	163	65.4 Å²	65.4	64%	0.639	39%	0.387	S	S	*	.			trans	-132.3	0	-171.8	-70.8	-96.2	0	0	0	112.3	R86 S233 A235 N236 I266	R86-Y268 PolarHBondContact NH1-OXT 2.9Å; R86-Y268 PolarHBondContact NH2-OXT 3.4Å; S233-Y268 WeakPolarHBondContact OG-CD1 3.27Å; S233-Y268 VanDerWaalsContact OG-CE1 3.25Å; S233-Y268 WeakPolarHBondContact OG-CE1 3.26Å; A235-Y268 HydrophobicContact CB-CD1 4.03Å; A235-Y268 HydrophobicContact CB-CD2 4.44Å; A235-Y268 HydrophobicContact CB-CE1 3.78Å; A235-Y268 HydrophobicContact CB-CE2 4.21Å; A235-Y268 HydrophobicContact CB-CG 4.36Å; N236-Y268 PolarHBondContact OD1-N 2.84Å; I266-Y268 HydrophobicContact CG2-CE2 3.98Å

Retrieved 268 of 268 residues in 849.1 ms (Link to these results)

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