A0A096NQE6_PAPAN Loading...

Gamma-aminobutyric acid receptor subunit theta

Theta subunit of the heteropentameric ligand-gated chloride channel gated by gamma-aminobutyric acid (GABA), a major inhibitory neurotransmitter in the brain. GABA-gated chloride channels, also named GABA(A) receptors (GABAAR), consist of five subunits arranged around a central pore and contain GABA active binding site(s) located at the alpha and beta subunit interfaces. When activated by GABA, GABAARs selectively allow the flow of chloride anions across the cell membrane down their electrochemical gradient.

AlphaFold DB , UniProt , Accession A0A096NQE6, Species PAPAN (Papio anubis, Olive baboon), Gene GABRQ, Length 632 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	52	Low	64.4	Low	250 Å²	250	121.9 Å²	121.9	100%	1.232	65%	0.651	S	S	*	*				0	144.7	0	-68.4	127.6	79.7	0	0	109
2	G	61.1	Low	65	Low	56 Å²	56	120 Å²	120	58%	0.577	64%	0.639	S	S	*	*			trans	-84.7	151.4	-170.2	0	0	0	0	0	115.1	R4 G5	G2-R4 PolarHBondContact O-N 3.33Å; G2-R4 VanDerWaalsContact O-N 3.14Å; G2-G5 PolarHBondContact O-N 2.67Å
3	I	63.8	Low	65.3	Low	140 Å²	140	119.6 Å²	119.6	72%	0.718	64%	0.636	S	S	*	*	H	α-helix	trans	-53.7	-35.4	-177.4	-63.6	167	0	0	0	112.8	G5 M6 L7	I3-G5 PolarHBondContact O-N 3.16Å; I3-G5 VanDerWaalsContact O-N 3.16Å; I3-M6 PolarHBondContact O-N 3.4Å; I3-L7 PolarHBondContact O-N 2.97Å
4	R	57.3	Low	65.4	Low	220 Å²	220	119.1 Å²	119.1	83%	0.83	63%	0.633	S	S	*	*	H	α-helix	trans	-56.6	-27	173.9	-83.5	-179.8	165.1	170.5	-4.9	114.1	G2 R8	G2-R4 PolarHBondContact O-N 3.33Å; G2-R4 VanDerWaalsContact O-N 3.14Å; R4-R8 WeakPolarHBondContact O-CG 3.35Å; R4-R8 PolarHBondContact O-N 2.83Å
5	G	62.5	Low	65.3	Low	47 Å²	47	118.3 Å²	118.3	49%	0.485	63%	0.628	S	S	.	*	H	α-helix	trans	-72.4	-49.3	175.8	0	0	0	0	0	112.2	G2 I3 L7 R8 A9	G2-G5 PolarHBondContact O-N 2.67Å; I3-G5 PolarHBondContact O-N 3.16Å; I3-G5 VanDerWaalsContact O-N 3.16Å; G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 2.85Å; G5-R8 PolarHBondContact O-N 2.91Å; G5-A9 PolarHBondContact O-N 3.04Å
6	M	65.8	Low	65.4	Low	144 Å²	144	116.1 Å²	116.1	71%	0.709	62%	0.615	S	S	*	*	H	α-helix	trans	-64.2	-36.3	177.3	-65.5	-159.3	-62.9	0	0	112	I3 R8 A9 A10	I3-M6 PolarHBondContact O-N 3.4Å; M6-R8 VanDerWaalsContact C-N 3.35Å; M6-R8 PolarHBondContact O-N 3.1Å; M6-A9 PolarHBondContact O-N 3.46Å; M6-A10 WeakPolarHBondContact O-CB 3.32Å; M6-A10 PolarHBondContact O-N 2.96Å
7	L	65.6	Low	65.1	Low	119 Å²	119	120.9 Å²	120.9	62%	0.623	62%	0.623	S	S	*	*	H	α-helix	trans	-63.6	-39.4	176.5	-155.3	77.2	0	0	0	112.2	I3 G5 V11	I3-L7 PolarHBondContact O-N 2.97Å; G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 2.85Å; L7-V11 WeakPolarHBondContact O-CG2 3.11Å; L7-V11 PolarHBondContact O-N 3.46Å
8	R	65.8	Low	64.7	Low	192 Å²	192	118.8 Å²	118.8	73%	0.725	62%	0.617	S	S	*	*	H	α-helix	trans	-67.9	-42.3	174.5	-75.9	-179.5	172.6	-171.4	-3.8	112.2	R4 G5 M6 V11 I12	R4-R8 WeakPolarHBondContact O-CG 3.35Å; R4-R8 PolarHBondContact O-N 2.83Å; G5-R8 PolarHBondContact O-N 2.91Å; M6-R8 VanDerWaalsContact C-N 3.35Å; M6-R8 PolarHBondContact O-N 3.1Å; R8-V11 PolarHBondContact O-N 2.84Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.16Å; R8-I12 PolarHBondContact O-N 3.46Å
9	A	68.6	Low	64.1	Low	50 Å²	50	122.8 Å²	122.8	41%	0.413	62%	0.623	S	S	.	*	H	α-helix	trans	-62.1	-41.6	175.1	0	0	0	0	0	112	G5 M6 I12 L13	G5-A9 PolarHBondContact O-N 3.04Å; M6-A9 PolarHBondContact O-N 3.46Å; A9-I12 PolarHBondContact O-N 2.75Å; A9-L13 WeakPolarHBondContact O-CB 3.26Å; A9-L13 WeakPolarHBondContact O-CG 3.49Å; A9-L13 PolarHBondContact O-N 2.98Å
10	A	72.3	Confident	63.3	Low	47 Å²	47	122.6 Å²	122.6	39%	0.388	62%	0.623	S	S	.	*	H	α-helix	trans	-64.8	-42.7	176.4	0	0	0	0	0	112.5	M6 L13 L14	M6-A10 WeakPolarHBondContact O-CB 3.32Å; M6-A10 PolarHBondContact O-N 2.96Å; A10-L13 PolarHBondContact O-N 2.76Å; A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 VanDerWaalsContact O-CG 3.3Å; A10-L14 WeakPolarHBondContact O-CG 3.26Å; A10-L14 PolarHBondContact O-N 3.11Å
11	V	73.8	Confident	62.6	Low	76 Å²	76	119.4 Å²	119.4	46%	0.461	62%	0.616	S	S	.	*	H	α-helix	trans	-64	-42.1	174.9	169.2	0	0	0	0	111.5	L7 R8 L14 L15	L7-V11 WeakPolarHBondContact O-CG2 3.11Å; L7-V11 PolarHBondContact O-N 3.46Å; R8-V11 PolarHBondContact O-N 2.84Å; V11-L14 PolarHBondContact O-N 2.8Å; V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 HydrophobicContact CG1-CG 4.47Å; V11-L15 WeakPolarHBondContact O-CB 3.32Å; V11-L15 VanDerWaalsContact O-CG 3.32Å; V11-L15 WeakPolarHBondContact O-CG 3.44Å; V11-L15 PolarHBondContact O-N 2.92Å
12	I	71.6	Confident	62.1	Low	99 Å²	99	115.1 Å²	115.1	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-65	-42.5	176.3	-69.3	165.4	0	0	0	111.1	R8 A9 L14 L15 I16	R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.16Å; R8-I12 PolarHBondContact O-N 3.46Å; A9-I12 PolarHBondContact O-N 2.75Å; I12-L14 VanDerWaalsContact C-N 3.34Å; I12-L14 PolarHBondContact O-N 3.21Å; I12-L15 PolarHBondContact O-N 3.02Å; I12-I16 HydrophobicContact CG2-CD1 3.77Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CB 3.09Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 3.07Å
13	L	68.8	Low	61.3	Low	115 Å²	115	115.5 Å²	115.5	60%	0.602	60%	0.596	S	S	*	*	H	α-helix	trans	-66.1	-33.4	175.6	-76.6	167.1	0	0	0	112.9	A9 A10 R17	A9-L13 WeakPolarHBondContact O-CB 3.26Å; A9-L13 WeakPolarHBondContact O-CG 3.49Å; A9-L13 PolarHBondContact O-N 2.98Å; A10-L13 PolarHBondContact O-N 2.76Å; L13-R17 WeakPolarHBondContact O-CB 3.43Å; L13-R17 PolarHBondContact O-N 2.68Å
14	L	67.1	Low	60.4	Low	112 Å²	112	115.8 Å²	115.8	59%	0.586	60%	0.599	S	S	*	*	H	α-helix	trans	-68.6	-43.4	172.5	-76.8	167.4	0	0	0	111.7	A10 V11 I12 R17 T18	A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 VanDerWaalsContact O-CG 3.3Å; A10-L14 WeakPolarHBondContact O-CG 3.26Å; A10-L14 PolarHBondContact O-N 3.11Å; V11-L14 PolarHBondContact O-N 2.8Å; I12-L14 VanDerWaalsContact C-N 3.34Å; I12-L14 PolarHBondContact O-N 3.21Å; L14-R17 CarbonylContact O-C 3.53Å; L14-R17 WeakPolarHBondContact O-CA 3.14Å; L14-R17 WeakPolarHBondContact O-CB 3.28Å; L14-R17 PolarHBondContact O-N 2.98Å; L14-R17 VanDerWaalsContact O-N 3.13Å; L14-T18 PolarHBondContact O-N 3.03Å; L14-T18 PolarHBondContact O-OG1 3.32Å
15	L	63.6	Low	59.5	Low	107 Å²	107	115 Å²	115	56%	0.56	60%	0.598	S	S	*	*	H	α-helix	trans	-64.9	-38.5	176	-72	168.5	0	0	0	112.3	V11 I12 R17 T18 W19	V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 HydrophobicContact CG1-CG 4.47Å; V11-L15 WeakPolarHBondContact O-CB 3.32Å; V11-L15 VanDerWaalsContact O-CG 3.32Å; V11-L15 WeakPolarHBondContact O-CG 3.44Å; V11-L15 PolarHBondContact O-N 2.92Å; I12-L15 PolarHBondContact O-N 3.02Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-T18 WeakPolarHBondContact CA-OG1 3.47Å; L15-T18 PolarHBondContact O-N 3.28Å; L15-T18 PolarHBondContact O-OG1 3.11Å; L15-W19 WeakPolarHBondContact O-CB 3.46Å; L15-W19 PolarHBondContact O-N 3.4Å
16	I	67.4	Low	58.4	Low	84 Å²	84	118.6 Å²	118.6	43%	0.431	61%	0.613	S	S	.	*	H	α-helix	trans	-65.8	-37.6	171.6	-69.4	167.6	0	0	0	110.4	I12 L20	I12-I16 HydrophobicContact CG2-CD1 3.77Å; I12-I16 HydrophobicContact CG2-CG1 4.46Å; I12-I16 WeakPolarHBondContact O-CB 3.09Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 3.07Å; I16-L20 HydrophobicContact CG2-CD1 3.75Å; I16-L20 HydrophobicContact CG2-CG 4.35Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 2.77Å
17	R	60.3	Low	57	Low	198 Å²	198	116.2 Å²	116.2	75%	0.747	61%	0.61	S	S	*	*	H	α-helix	trans	-67	-38.5	174.6	-108.6	-168.3	173.7	-143.5	-1.7	113.4	L13 L14 L15 A21	L13-R17 WeakPolarHBondContact O-CB 3.43Å; L13-R17 PolarHBondContact O-N 2.68Å; L14-R17 CarbonylContact O-C 3.53Å; L14-R17 WeakPolarHBondContact O-CA 3.14Å; L14-R17 WeakPolarHBondContact O-CB 3.28Å; L14-R17 PolarHBondContact O-N 2.98Å; L14-R17 VanDerWaalsContact O-N 3.13Å; L15-R17 VanDerWaalsContact C-N 3.33Å; R17-A21 VanDerWaalsContact O-CB 3.25Å; R17-A21 WeakPolarHBondContact O-CB 3.31Å; R17-A21 PolarHBondContact O-N 3.16Å
18	T	58.3	Low	55.5	Low	82 Å²	82	116.5 Å²	116.5	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-67.7	-46.4	174.8	49.7	0	0	0	0	110.5	L14 L15 L20 A21 E22	L14-T18 PolarHBondContact O-N 3.03Å; L14-T18 PolarHBondContact O-OG1 3.32Å; L15-T18 WeakPolarHBondContact CA-OG1 3.47Å; L15-T18 PolarHBondContact O-N 3.28Å; L15-T18 PolarHBondContact O-OG1 3.11Å; T18-L20 PolarHBondContact O-N 3.5Å; T18-A21 PolarHBondContact O-N 3.49Å; T18-E22 PolarHBondContact O-N 3.36Å
19	W	51.7	Low	53.9	Low	195 Å²	195	113.9 Å²	113.9	74%	0.739	62%	0.618	S	S	*	*	H	α-helix	trans	-63.5	-37.4	-179.7	-163	73.8	0	0	0	113	L15 E22	L15-W19 WeakPolarHBondContact O-CB 3.46Å; L15-W19 PolarHBondContact O-N 3.4Å; W19-E22 PolarHBondContact O-N 2.69Å
20	L	49.4	Very low	52.1	Low	118 Å²	118	116 Å²	116	62%	0.618	63%	0.627	S	S	*	*	H	α-helix	trans	-76.2	-22	173.3	-70.7	173.3	0	0	0	113.9	I16 T18	I16-L20 HydrophobicContact CG2-CD1 3.75Å; I16-L20 HydrophobicContact CG2-CG 4.35Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 2.77Å; T18-L20 PolarHBondContact O-N 3.5Å
21	A	47.1	Very low	50	Low	57 Å²	57	122 Å²	122	47%	0.471	65%	0.645	S	S	.	*	H	α-helix	trans	-77.8	-23.5	172.8	0	0	0	0	0	112.5	R17 T18 G23	R17-A21 VanDerWaalsContact O-CB 3.25Å; R17-A21 WeakPolarHBondContact O-CB 3.31Å; R17-A21 PolarHBondContact O-N 3.16Å; T18-A21 PolarHBondContact O-N 3.49Å; A21-G23 PolarHBondContact O-N 3Å
22	E	42.6	Very low	47.8	Very low	159 Å²	159	126.5 Å²	126.5	74%	0.743	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-12.4	-178.4	-142.7	138.3	-134.1	0	0	113.2	T18 W19	T18-E22 PolarHBondContact O-N 3.36Å; W19-E22 PolarHBondContact O-N 2.69Å
23	G	44.3	Very low	45.6	Very low	64 Å²	64	128.6 Å²	128.6	66%	0.66	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	2.2	-177.7	0	0	0	0	0	116.7	A21	A21-G23 PolarHBondContact O-N 3Å
24	N	45.8	Very low	43.8	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	67%	0.674	S	S	*	*	S	Bend	trans	-146	36.3	-171.7	-115.1	-30.2	0	0	0	115.8
25	Y	37.2	Very low	41.9	Very low	203 Å²	203	133.5 Å²	133.5	80%	0.796	68%	0.68	S	S	*	*			trans	-122.7	123.2	160.3	-79.8	-82.6	0	0	0	109.7	S27	Y25-S27 PolarHBondContact O-N 3.26Å; Y25-S27 VanDerWaalsContact O-N 3.13Å
26	P	40.6	Very low	40.5	Very low	123 Å²	123	137.7 Å²	137.7	80%	0.799	69%	0.694	S	S	*	*			trans	-65.3	117.3	168.5	28	-32	0	0	0	107.9
27	S	35.8	Very low	38.9	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	71%	0.705	S	S	*	*			trans	-49	140.4	165.3	55.5	0	0	0	0	109.2	Y25 I29	Y25-S27 PolarHBondContact O-N 3.26Å; Y25-S27 VanDerWaalsContact O-N 3.13Å; S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 2.99Å
28	P	34.1	Very low	38.1	Very low	125 Å²	125	135 Å²	135	81%	0.812	71%	0.713	S	S	*	*			trans	-64.1	98.4	175.9	27.6	-33.4	0	0	0	108.8	P30	P28-P30 VanDerWaalsContact O-N 3.16Å
29	I	31.9	Very low	38	Very low	137 Å²	137	134.5 Å²	134.5	70%	0.703	72%	0.718	S	S	*	*			trans	-46.6	124.4	158.6	-59.9	169.9	0	0	0	104.8	S27 K31	S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 2.99Å; I29-K31 VanDerWaalsContact C-N 3.32Å; I29-K31 PolarHBondContact O-N 3.48Å
30	P	30.6	Very low	38.1	Very low	93 Å²	93	128.9 Å²	128.9	60%	0.604	71%	0.705	S	S	*	*			trans	-60.3	104.5	173.7	24.8	-32	0	0	0	106.4	P28 F32	P28-P30 VanDerWaalsContact O-N 3.16Å; P30-F32 HydrophobicContact CB-CD2 4.21Å; P30-F32 HydrophobicContact CB-CE2 4.1Å; P30-F32 HydrophobicContact CG-CD2 4.35Å; P30-F32 HydrophobicContact CG-CE2 4.15Å; P30-F32 PolarHBondContact O-N 2.95Å
31	K	27.7	Very low	38.6	Very low	175 Å²	175	127.3 Å²	127.3	76%	0.761	70%	0.701	S	S	*	*			trans	-67.7	82.6	170.6	-75.6	-169	177	-174.9	0	106.7	I29 H33	I29-K31 VanDerWaalsContact C-N 3.32Å; I29-K31 PolarHBondContact O-N 3.48Å; K31-H33 PolarHBondContact O-N 2.85Å
32	F	29	Very low	39.1	Very low	170 Å²	170	132 Å²	132	75%	0.746	71%	0.714	S	S	*	*			trans	-57	89.2	149.9	-75.7	-82.3	0	0	0	106.1	P30 F34	P30-F32 HydrophobicContact CB-CD2 4.21Å; P30-F32 HydrophobicContact CB-CE2 4.1Å; P30-F32 HydrophobicContact CG-CD2 4.35Å; P30-F32 HydrophobicContact CG-CE2 4.15Å; P30-F32 PolarHBondContact O-N 2.95Å; F32-F34 PolarHBondContact O-N 3.3Å
33	H	23.6	Very low	39.7	Very low	143 Å²	143	129.8 Å²	129.8	66%	0.662	71%	0.711	S	S	*	*			trans	-62.2	82	154.9	-88.3	-103.3	0	0	0	106.3	K31 E35	K31-H33 PolarHBondContact O-N 2.85Å; H33-E35 HydrophobicContact CB-CG 4.48Å; H33-E35 PolarHBondContact O-N 3.3Å
34	F	31.4	Very low	40.2	Very low	174 Å²	174	129.3 Å²	129.3	76%	0.763	70%	0.695	S	S	*	*			trans	-62.5	79.6	141.9	-100.9	-86.4	0	0	0	106.2	F32 F36	F32-F34 PolarHBondContact O-N 3.3Å; F34-F36 PolarHBondContact O-N 2.59Å; F34-F36 VanDerWaalsContact O-N 3.17Å
35	E	27.5	Very low	40.5	Very low	155 Å²	155	127 Å²	127	72%	0.724	68%	0.682	S	S	*	*			trans	-53.8	118.3	147.6	-66.9	-170.4	137.6	0	0	105.6	H33 S37	H33-E35 HydrophobicContact CB-CG 4.48Å; H33-E35 PolarHBondContact O-N 3.3Å; E35-S37 PolarHBondContact O-N 3.37Å
36	F	33.7	Very low	41.2	Very low	195 Å²	195	121.7 Å²	121.7	86%	0.855	67%	0.668	S	S	*	*			trans	-70.9	70.6	167.4	-108.2	-90.6	0	0	0	108	F34 S38	F34-F36 PolarHBondContact O-N 2.59Å; F34-F36 VanDerWaalsContact O-N 3.17Å; F36-S38 PolarHBondContact O-N 3.44Å
37	S	34.1	Very low	41.6	Very low	95 Å²	95	122.5 Å²	122.5	66%	0.664	66%	0.664	S	S	*	*			trans	-54.4	120.4	164.2	-176.4	0	0	0	0	106.7	E35 A39	E35-S37 PolarHBondContact O-N 3.37Å; S37-A39 PolarHBondContact O-N 3.06Å
38	S	44.4	Very low	42.3	Very low	131 Å²	131	125.8 Å²	125.8	92%	0.916	67%	0.667	S	S	*	*	S	Bend	trans	-74.8	18.4	-162.3	48.6	0	0	0	0	114.7	F36	F36-S38 PolarHBondContact O-N 3.44Å
39	A	56.1	Low	42.8	Very low	72 Å²	72	124.2 Å²	124.2	60%	0.595	65%	0.652	S	S	*	*	S	Bend	trans	-121.3	104.9	170.1	0	0	0	0	0	109.3	S37	S37-A39 PolarHBondContact O-N 3.06Å
40	V	52.8	Low	43.8	Very low	77 Å²	77	120.8 Å²	120.8	47%	0.467	64%	0.639	S	S	.	*			trans	-56	128.9	164	176.5	0	0	0	0	107.5	E42 V44 L45	V40-E42 PolarHBondContact O-N 2.75Å; V40-V44 HydrophobicContact CG1-CB 3.77Å; V40-V44 HydrophobicContact CG1-CG1 3.62Å; V40-L45 HydrophobicContact CB-CD1 4.33Å; V40-L45 HydrophobicContact CB-CD2 4.48Å; V40-L45 HydrophobicContact CB-CG 4.07Å; V40-L45 HydrophobicContact CG1-CD2 4.45Å; V40-L45 HydrophobicContact CG1-CG 3.95Å
41	P	61.1	Low	44.7	Very low	84 Å²	84	125.3 Å²	125.3	55%	0.545	65%	0.65	S	S	.	*			trans	-54.1	138.6	-177.1	-28.2	35.1	0	0	0	111.6	V43 V44 L45	P41-V43 PolarHBondContact O-N 2.93Å; P41-V44 HydrophobicContact CB-CG2 4.28Å; P41-V44 HydrophobicContact CG-CG2 4.48Å; P41-V44 WeakPolarHBondContact O-CA 3.23Å; P41-V44 WeakPolarHBondContact O-CB 3.27Å; P41-V44 PolarHBondContact O-N 3.45Å; P41-L45 PolarHBondContact O-N 3.41Å
42	E	56.1	Low	45.9	Very low	156 Å²	156	123.1 Å²	123.1	73%	0.729	65%	0.646	S	S	*	*	H	α-helix	trans	-59.7	-25.6	-174.8	-164.1	172.7	-140.3	0	0	112.6	V40 N46	V40-E42 PolarHBondContact O-N 2.75Å; E42-N46 WeakPolarHBondContact O-CB 3.41Å; E42-N46 PolarHBondContact O-N 3.02Å; E42-N46 PolarHBondContact O-ND2 2.7Å
43	V	56.4	Low	47.4	Very low	112 Å²	112	118.9 Å²	118.9	68%	0.679	64%	0.636	S	S	*	*	H	α-helix	trans	-64.7	-39.9	170.5	-178.3	0	0	0	0	112.3	P41 L47	P41-V43 PolarHBondContact O-N 2.93Å; V43-L47 PolarHBondContact O-N 3.18Å; V43-L47 VanDerWaalsContact O-N 3.08Å
44	V	54.1	Low	49.1	Very low	55 Å²	55	113.4 Å²	113.4	33%	0.333	62%	0.616	S	S	.	*	H	α-helix	trans	-75.3	-40.3	177.9	176.3	0	0	0	0	110.4	V40 P41 N46 L47 F48	V40-V44 HydrophobicContact CG1-CB 3.77Å; V40-V44 HydrophobicContact CG1-CG1 3.62Å; P41-V44 HydrophobicContact CB-CG2 4.28Å; P41-V44 HydrophobicContact CG-CG2 4.48Å; P41-V44 WeakPolarHBondContact O-CA 3.23Å; P41-V44 WeakPolarHBondContact O-CB 3.27Å; P41-V44 PolarHBondContact O-N 3.45Å; V44-N46 VanDerWaalsContact C-N 3.31Å; V44-N46 PolarHBondContact O-N 2.84Å; V44-L47 WeakPolarHBondContact O-CA 3.44Å; V44-L47 VanDerWaalsContact O-CB 3.22Å; V44-L47 WeakPolarHBondContact O-CB 3.1Å; V44-L47 PolarHBondContact O-N 3.32Å; V44-F48 HydrophobicContact CG1-CD2 4.01Å; V44-F48 HydrophobicContact CG1-CE2 3.67Å; V44-F48 VanDerWaalsContact O-CD2 3.23Å; V44-F48 WeakPolarHBondContact O-CD2 3.43Å; V44-F48 PolarHBondContact O-N 2.94Å
45	L	52.5	Low	51.1	Low	97 Å²	97	111 Å²	111	51%	0.508	61%	0.611	S	S	.	*	H	α-helix	trans	-60.3	-39.8	170.7	-78.7	167.6	0	0	0	111.9	V40 P41 L47 F48 N49	V40-L45 HydrophobicContact CB-CD1 4.33Å; V40-L45 HydrophobicContact CB-CD2 4.48Å; V40-L45 HydrophobicContact CB-CG 4.07Å; V40-L45 HydrophobicContact CG1-CD2 4.45Å; V40-L45 HydrophobicContact CG1-CG 3.95Å; P41-L45 PolarHBondContact O-N 3.41Å; L45-L47 VanDerWaalsContact C-N 3.26Å; L45-L47 PolarHBondContact O-N 3.08Å; L45-F48 CarbonylContact O-C 3.56Å; L45-F48 PolarHBondContact O-N 3.33Å; L45-N49 WeakPolarHBondContact O-CB 3.1Å; L45-N49 PolarHBondContact O-N 2.75Å
46	N	51.2	Low	53.5	Low	93 Å²	93	111.5 Å²	111.5	50%	0.497	61%	0.613	S	S	.	*	H	α-helix	trans	-71.4	-18	173.8	-80.3	-64.2	0	0	0	114.2	E42 V44 N49	E42-N46 WeakPolarHBondContact O-CB 3.41Å; E42-N46 PolarHBondContact O-N 3.02Å; E42-N46 PolarHBondContact O-ND2 2.7Å; V44-N46 VanDerWaalsContact C-N 3.31Å; V44-N46 PolarHBondContact O-N 2.84Å; N46-N49 PolarHBondContact OD1-ND2 3.15Å
47	L	49.8	Very low	55.8	Low	140 Å²	140	105.7 Å²	105.7	73%	0.733	60%	0.602	S	S	*	*	H	α-helix	trans	-75.3	-34.1	168.9	-119.3	156.5	0	0	0	111.6	V43 V44 L45	V43-L47 PolarHBondContact O-N 3.18Å; V43-L47 VanDerWaalsContact O-N 3.08Å; V44-L47 WeakPolarHBondContact O-CA 3.44Å; V44-L47 VanDerWaalsContact O-CB 3.22Å; V44-L47 WeakPolarHBondContact O-CB 3.1Å; V44-L47 PolarHBondContact O-N 3.32Å; L45-L47 VanDerWaalsContact C-N 3.26Å; L45-L47 PolarHBondContact O-N 3.08Å
48	F	49.9	Very low	58.1	Low	162 Å²	162	103.4 Å²	103.4	71%	0.711	58%	0.584	S	S	*	*	H	α-helix	trans	-82.6	-11.5	169.9	-68.6	-65.3	0	0	0	113.9	V44 L45 C50	V44-F48 HydrophobicContact CG1-CD2 4.01Å; V44-F48 HydrophobicContact CG1-CE2 3.67Å; V44-F48 VanDerWaalsContact O-CD2 3.23Å; V44-F48 WeakPolarHBondContact O-CD2 3.43Å; V44-F48 PolarHBondContact O-N 2.94Å; L45-F48 CarbonylContact O-C 3.56Å; L45-F48 PolarHBondContact O-N 3.33Å; F48-C50 PolarHBondContact O-N 3.2Å
49	N	45.5	Very low	60	Low	93 Å²	93	98.7 Å²	98.7	50%	0.497	55%	0.549	S	S	.	.			trans	-75.4	71.7	178.7	-166.2	-0.7	0	0	0	110.7	L45 N46 K51	L45-N49 WeakPolarHBondContact O-CB 3.1Å; L45-N49 PolarHBondContact O-N 2.75Å; N46-N49 PolarHBondContact OD1-ND2 3.15Å; N49-K51 PolarHBondContact O-N 3.14Å
50	C	52.6	Low	61.4	Low	64 Å²	64	100.6 Å²	100.6	43%	0.432	55%	0.546	S	S	.	.			trans	-69.5	83.5	-170.3	-174.5	0	0	0	0	112.2	F48 N52 C53	F48-C50 PolarHBondContact O-N 3.2Å; C50-N52 PolarHBondContact O-N 2.89Å; C50-C53 HydrophobicContact CB-CB 3.66Å; C50-C53 WeakPolarHBondContact CB-SG 3.33Å; C50-C53 PolarHBondContact O-N 2.69Å; C50-C53 VanDerWaalsContact SG-CA 3.58Å; C50-C53 WeakPolarHBondContact SG-CB 3.37Å; C50-C53 PolarHBondContact SG-N 3.05Å; C50-C53 CovalentContact SG-SG 2.03Å; C50-C53 PolarHBondContact SG-SG 3.28Å
51	K	49.2	Very low	63.1	Low	189 Å²	189	103.7 Å²	103.7	82%	0.822	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-21.1	176.2	-70.8	-176.8	176.5	178	0	114.8	N49	N49-K51 PolarHBondContact O-N 3.14Å
52	N	53.6	Low	64.4	Low	129 Å²	129	99.7 Å²	99.7	69%	0.69	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	21.6	-178.9	-63.9	0.2	0	0	0	112.8	C50 L126	C50-N52 PolarHBondContact O-N 2.89Å; N52-L126 WeakPolarHBondContact O-CD1 3.46Å; N52-L126 WeakPolarHBondContact O-CD2 3.49Å
53	C	59.8	Low	65.9	Low	80 Å²	80	93.8 Å²	93.8	54%	0.541	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-88.9	138.3	170.8	-77.9	0	0	0	0	110.4	C50 N55	C50-C53 HydrophobicContact CB-CB 3.66Å; C50-C53 WeakPolarHBondContact CB-SG 3.33Å; C50-C53 PolarHBondContact O-N 2.69Å; C50-C53 VanDerWaalsContact SG-CA 3.58Å; C50-C53 WeakPolarHBondContact SG-CB 3.37Å; C50-C53 PolarHBondContact SG-N 3.05Å; C50-C53 CovalentContact SG-SG 2.03Å; C50-C53 PolarHBondContact SG-SG 3.28Å; C53-N55 PolarHBondContact O-N 3.1Å
54	A	60	Low	67.4	Low	29 Å²	29	93 Å²	93	24%	0.24	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-69.1	129.6	170.1	0	0	0	0	0	109.4	E56 V59 T124 L126	A54-E56 PolarHBondContact O-N 2.78Å; A54-V59 HydrophobicContact CB-CG2 3.6Å; A54-T124 HydrophobicContact CB-CG2 4.02Å; A54-L126 HydrophobicContact CB-CD1 4.13Å
55	N	73.9	Confident	69.1	Low	123 Å²	123	94.3 Å²	94.3	66%	0.658	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-56.7	135.8	172.9	-78	-24.8	0	0	0	110.2	C53 A57 V58 V59	C53-N55 PolarHBondContact O-N 3.1Å; N55-A57 VanDerWaalsContact C-N 3.3Å; N55-A57 PolarHBondContact O-N 2.88Å; N55-V58 HydrophobicContact CB-CB 4.45Å; N55-V58 HydrophobicContact CB-CG2 4Å; N55-V58 WeakPolarHBondContact O-CA 3.46Å; N55-V58 WeakPolarHBondContact O-CB 3.24Å; N55-V58 PolarHBondContact O-N 2.83Å; N55-V59 PolarHBondContact O-N 2.84Å; N55-V59 VanDerWaalsContact O-N 3.12Å
56	E	77.8	Confident	70.8	Confident	165 Å²	165	90.4 Å²	90.4	77%	0.771	47%	0.471	S	S	*	.	H	α-helix	trans	-50.6	-47.7	-177.6	-175.8	179.9	-178.5	0	0	112.5	A54 V58 V59 Q60	A54-E56 PolarHBondContact O-N 2.78Å; E56-V58 PolarHBondContact O-N 3.08Å; E56-V59 PolarHBondContact O-N 2.98Å; E56-Q60 PolarHBondContact O-N 3.49Å
57	A	80.7	Confident	72.6	Confident	74 Å²	74	88 Å²	88	61%	0.612	46%	0.458	S	S	*	.	H	α-helix	trans	-62.2	-23.3	176.9	0	0	0	0	0	114.3	N55 K61	N55-A57 VanDerWaalsContact C-N 3.3Å; N55-A57 PolarHBondContact O-N 2.88Å; A57-K61 VanDerWaalsContact O-CB 3.23Å; A57-K61 WeakPolarHBondContact O-CB 3.43Å; A57-K61 PolarHBondContact O-N 2.86Å
58	V	83.4	Confident	74.4	Confident	47 Å²	47	85.5 Å²	85.5	29%	0.285	45%	0.453	S	S	.	.	H	α-helix	trans	-78.4	-44.2	172.4	179	0	0	0	0	109.9	N55 E56 K61 I62 E123 T124	N55-V58 HydrophobicContact CB-CB 4.45Å; N55-V58 HydrophobicContact CB-CG2 4Å; N55-V58 WeakPolarHBondContact O-CA 3.46Å; N55-V58 WeakPolarHBondContact O-CB 3.24Å; N55-V58 PolarHBondContact O-N 2.83Å; E56-V58 PolarHBondContact O-N 3.08Å; V58-K61 PolarHBondContact O-N 3.35Å; V58-I62 HydrophobicContact CG1-CD1 4.07Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.48Å; V58-I62 PolarHBondContact O-N 2.88Å; V58-E123 HydrophobicContact CG1-CB 3.99Å; V58-E123 HydrophobicContact CG1-CG 4.46Å; V58-T124 HydrophobicContact CG1-CG2 3.96Å
59	V	83.8	Confident	76.2	Confident	32 Å²	32	89.1 Å²	89.1	19%	0.194	46%	0.462	C	S	.	.	H	α-helix	trans	-60.7	-47.4	175.7	-177.2	0	0	0	0	110.7	A54 N55 E56 K61 I62 L63 L128	A54-V59 HydrophobicContact CB-CG2 3.6Å; N55-V59 PolarHBondContact O-N 2.84Å; N55-V59 VanDerWaalsContact O-N 3.12Å; E56-V59 PolarHBondContact O-N 2.98Å; V59-K61 PolarHBondContact O-N 2.82Å; V59-I62 WeakPolarHBondContact O-CB 3.47Å; V59-I62 PolarHBondContact O-N 3.24Å; V59-L63 HydrophobicContact CG1-CD1 4.04Å; V59-L63 HydrophobicContact CG1-CG 4.42Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 3.37Å; V59-L128 HydrophobicContact CG1-CD1 4.46Å; V59-L128 HydrophobicContact CG1-CD2 4.11Å; V59-L128 HydrophobicContact CG2-CD2 3.89Å
60	Q	86	Confident	78.4	Confident	112 Å²	112	86 Å²	86	52%	0.523	44%	0.443	S	S	.	.	H	α-helix	trans	-57.7	-48.1	175.8	-174.1	175.9	6.9	0	0	111.3	E56 I62 L63 D64	E56-Q60 PolarHBondContact O-N 3.49Å; Q60-I62 VanDerWaalsContact C-N 3.33Å; Q60-I62 PolarHBondContact O-N 2.96Å; Q60-L63 PolarHBondContact O-N 3.32Å; Q60-D64 WeakPolarHBondContact O-CB 3.47Å; Q60-D64 PolarHBondContact O-N 3.15Å
61	K	88	Confident	80.4	Confident	141 Å²	141	85.1 Å²	85.1	61%	0.613	43%	0.434	S	S	*	.	H	α-helix	trans	-61.2	-36.8	177	-179	179.9	176.4	-174.4	0	113.5	A57 V58 V59 R65	A57-K61 VanDerWaalsContact O-CB 3.23Å; A57-K61 WeakPolarHBondContact O-CB 3.43Å; A57-K61 PolarHBondContact O-N 2.86Å; V58-K61 PolarHBondContact O-N 3.35Å; V59-K61 PolarHBondContact O-N 2.82Å; K61-R65 WeakPolarHBondContact O-CB 3.5Å; K61-R65 PolarHBondContact O-N 3.47Å; K61-R65 VanDerWaalsContact O-N 3.15Å
62	I	87.3	Confident	82.5	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-62.9	-51.9	173.4	-68	161.7	0	0	0	109.4	V58 V59 Q60 R65 V66 Y121 E123 T124 L128	V58-I62 HydrophobicContact CG1-CD1 4.07Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.48Å; V58-I62 PolarHBondContact O-N 2.88Å; V59-I62 WeakPolarHBondContact O-CB 3.47Å; V59-I62 PolarHBondContact O-N 3.24Å; Q60-I62 VanDerWaalsContact C-N 3.33Å; Q60-I62 PolarHBondContact O-N 2.96Å; I62-R65 PolarHBondContact O-N 3.18Å; I62-V66 HydrophobicContact CG2-CG2 4.22Å; I62-V66 VanDerWaalsContact O-CB 3.32Å; I62-V66 WeakPolarHBondContact O-CB 3.35Å; I62-V66 VanDerWaalsContact O-CG2 3.24Å; I62-V66 WeakPolarHBondContact O-CG2 3.23Å; I62-V66 PolarHBondContact O-N 2.91Å; I62-Y121 HydrophobicContact CD1-CD2 4.22Å; I62-Y121 HydrophobicContact CG2-CD1 4.06Å; I62-Y121 HydrophobicContact CG2-CG 3.92Å; I62-E123 HydrophobicContact CD1-CB 3.69Å; I62-E123 HydrophobicContact CD1-CG 4.37Å; I62-E123 HydrophobicContact CG1-CB 3.73Å; I62-E123 HydrophobicContact CG1-CG 3.85Å; I62-T124 HydrophobicContact CD1-CG2 4.44Å; I62-L128 HydrophobicContact CD1-CD1 4.13Å; I62-L128 HydrophobicContact CG2-CD1 4.06Å
63	L	87.6	Confident	84.3	Confident	32 Å²	32	82.1 Å²	82.1	17%	0.168	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-45.4	-176.9	-67.4	176.2	0	0	0	112.1	V59 Q60 R65 V66 L67 L130 M134	V59-L63 HydrophobicContact CG1-CD1 4.04Å; V59-L63 HydrophobicContact CG1-CG 4.42Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 3.37Å; Q60-L63 PolarHBondContact O-N 3.32Å; L63-R65 PolarHBondContact O-N 2.82Å; L63-V66 PolarHBondContact O-N 3.44Å; L63-L67 HydrophobicContact CB-CD1 4.48Å; L63-L67 VanDerWaalsContact O-CB 3.27Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 2.98Å; L63-L67 PolarHBondContact O-N 3.21Å; L63-L130 HydrophobicContact CD1-CD2 3.98Å; L63-L130 HydrophobicContact CD2-CD1 4.15Å; L63-L130 HydrophobicContact CD2-CD2 4.02Å; L63-M134 HydrophobicContact CD1-CE 3.78Å; L63-M134 HydrophobicContact CD2-CE 3.62Å; L63-M134 HydrophobicContact CG-CE 4.25Å
64	D	88.4	Confident	86	Confident	96 Å²	96	81.7 Å²	81.7	51%	0.513	41%	0.406	S	S	.	.	H	α-helix	trans	-60.5	-45.2	177.2	-71	-23	0	0	0	111	Q60 S68	Q60-D64 WeakPolarHBondContact O-CB 3.47Å; Q60-D64 PolarHBondContact O-N 3.15Å; D64-S68 WeakPolarHBondContact O-CB 3.05Å; D64-S68 PolarHBondContact O-N 2.86Å; D64-S68 PolarHBondContact O-OG 2.86Å
65	R	89.4	Confident	87.6	Confident	83 Å²	83	80.7 Å²	80.7	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-55.3	174.1	-179	-167.9	64.9	-150	-16	110.9	K61 I62 L63 S68 Y122 E123	K61-R65 WeakPolarHBondContact O-CB 3.5Å; K61-R65 PolarHBondContact O-N 3.47Å; K61-R65 VanDerWaalsContact O-N 3.15Å; I62-R65 PolarHBondContact O-N 3.18Å; L63-R65 PolarHBondContact O-N 2.82Å; R65-S68 PolarHBondContact O-OG 3.21Å; R65-Y122 PolarHBondContact NH1-OH 2.85Å; R65-Y122 VanDerWaalsContact NH1-OH 3.16Å; R65-E123 IonicContact CZ-OE1 3.59Å; R65-E123 IonicContact CZ-OE2 3.31Å; R65-E123 VanDerWaalsContact CZ-OE2 3.31Å; R65-E123 IonicContact NH1-OE1 2.68Å; R65-E123 PolarHBondContact NH1-OE1 2.85Å; R65-E123 IonicContact NH1-OE2 2.98Å; R65-E123 PolarHBondContact NH1-OE2 3.31Å; R65-E123 IonicContact NH2-OE1 3.82Å; R65-E123 IonicContact NH2-OE2 2.77Å; R65-E123 PolarHBondContact NH2-OE2 3.22Å
66	V	88.8	Confident	88.7	Confident	14 Å²	14	74.9 Å²	74.9	9%	0.085	37%	0.365	C	S	.	.	H	α-helix	trans	-63.7	-44.7	-171.1	166.3	0	0	0	0	111.3	I62 L63 L119	I62-V66 HydrophobicContact CG2-CG2 4.22Å; I62-V66 VanDerWaalsContact O-CB 3.32Å; I62-V66 WeakPolarHBondContact O-CB 3.35Å; I62-V66 VanDerWaalsContact O-CG2 3.24Å; I62-V66 WeakPolarHBondContact O-CG2 3.23Å; I62-V66 PolarHBondContact O-N 2.91Å; L63-V66 PolarHBondContact O-N 3.44Å; V66-L119 HydrophobicContact CG1-CB 4.28Å; V66-L119 HydrophobicContact CG1-CD2 3.32Å; V66-L119 HydrophobicContact CG1-CG 4.39Å
67	L	89.1	Confident	89.4	Confident	42 Å²	42	70.9 Å²	70.9	22%	0.22	35%	0.349	C	S	.	.	H	α-helix	trans	-79.9	-26.5	-176.9	-61.7	175	0	0	0	113.2	L63 R69 Y70 M134 K137 L138	L63-L67 HydrophobicContact CB-CD1 4.48Å; L63-L67 VanDerWaalsContact O-CB 3.27Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 2.98Å; L63-L67 PolarHBondContact O-N 3.21Å; L67-R69 PolarHBondContact O-N 3.45Å; L67-Y70 PolarHBondContact O-N 3.36Å; L67-M134 HydrophobicContact CD1-CE 4.05Å; L67-M134 HydrophobicContact CD1-SD 4.29Å; L67-K137 HydrophobicContact CD1-CD 4.27Å; L67-K137 HydrophobicContact CD2-CB 4.39Å; L67-L138 HydrophobicContact CD2-CD2 3.79Å
68	S	87.9	Confident	90	Very high	89 Å²	89	74.1 Å²	74.1	62%	0.622	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.3	-177.4	65.3	0	0	0	0	115.8	D64 R65	D64-S68 WeakPolarHBondContact O-CB 3.05Å; D64-S68 PolarHBondContact O-N 2.86Å; D64-S68 PolarHBondContact O-OG 2.86Å; R65-S68 PolarHBondContact O-OG 3.21Å
69	R	86.6	Confident	90.4	Very high	237 Å²	237	75.6 Å²	75.6	89%	0.894	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	14.3	178.2	-62.1	-171.3	177.4	-151.4	-1.1	113.1	L67	L67-R69 PolarHBondContact O-N 3.45Å
70	Y	93.3	Very high	90.8	Very high	28 Å²	28	76.1 Å²	76.1	11%	0.11	39%	0.386	C	S	.	.			trans	-90.5	117.1	-173.8	-165.2	-91.5	0	0	0	111.4	L67 D116 R118 L119 K137 L138 W139	L67-Y70 PolarHBondContact O-N 3.36Å; Y70-D116 VanDerWaalsContact CE2-OD2 3.27Å; Y70-D116 WeakPolarHBondContact CE2-OD2 3.3Å; Y70-D116 PolarHBondContact OH-OD2 3.05Å; Y70-R118 HydrophobicContact CD2-CB 4Å; Y70-R118 HydrophobicContact CE2-CB 3.95Å; Y70-R118 PolarHBondContact OH-NH2 2.83Å; Y70-R118 VanDerWaalsContact OH-NH2 3.15Å; Y70-L119 HydrophobicContact CD2-CD2 3.55Å; Y70-L119 HydrophobicContact CD2-CG 4.38Å; Y70-L119 HydrophobicContact CE2-CD1 4.25Å; Y70-L119 HydrophobicContact CE2-CD2 3.36Å; Y70-L119 HydrophobicContact CE2-CG 3.77Å; Y70-L119 HydrophobicContact CG-CD2 4.4Å; Y70-K137 WeakPolarHBondContact CD1-O 3.45Å; Y70-K137 WeakPolarHBondContact CE1-O 3.41Å; Y70-L138 HydrophobicContact CE1-CD2 4.43Å; Y70-W139 HydrophobicContact CE1-CB 4.36Å; Y70-W139 WeakPolarHBondContact OH-CB 3.42Å; Y70-W139 PolarHBondContact OH-N 3.46Å
71	D	93.1	Very high	91.3	Very high	45 Å²	45	74 Å²	74	24%	0.241	39%	0.388	C	S	.	.			trans	-95.1	107.3	169.7	-164.2	-24.8	0	0	0	110.1	R73 L74 R118	D71-R73 PolarHBondContact O-N 3.46Å; D71-R73 VanDerWaalsContact OD1-CB 3.27Å; D71-R73 WeakPolarHBondContact OD1-CB 3.22Å; D71-R73 WeakPolarHBondContact OD1-CG 3.33Å; D71-R73 IonicContact OD1-CZ 2.79Å; D71-R73 PolarHBondContact OD1-N 2.92Å; D71-R73 IonicContact OD1-NE 2.85Å; D71-R73 PolarHBondContact OD1-NE 3.31Å; D71-R73 IonicContact OD1-NH2 2.69Å; D71-R73 IonicContact OD2-CZ 2.8Å; D71-R73 IonicContact OD2-NE 3.25Å; D71-R73 PolarHBondContact OD2-NE 3.2Å; D71-R73 IonicContact OD2-NH2 2.68Å; D71-R73 PolarHBondContact OD2-NH2 2.84Å; D71-L74 HydrophobicContact CB-CD1 4.16Å; D71-L74 HydrophobicContact CB-CG 4.27Å; D71-L74 PolarHBondContact O-N 3.07Å; D71-R118 PolarHBondContact O-NH1 2.88Å
72	V	93.3	Very high	91.7	Very high	58 Å²	58	69.2 Å²	69.2	35%	0.352	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.6	177.9	65.3	0	0	0	0	113.4	L74	V72-L74 VanDerWaalsContact C-N 3.34Å
73	R	92.7	Very high	92.1	Very high	197 Å²	197	69.2 Å²	69.2	74%	0.743	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.2	-177.9	-55.1	170.4	-64.7	171.6	4.6	113.2	D71	D71-R73 PolarHBondContact O-N 3.46Å; D71-R73 VanDerWaalsContact OD1-CB 3.27Å; D71-R73 WeakPolarHBondContact OD1-CB 3.22Å; D71-R73 WeakPolarHBondContact OD1-CG 3.33Å; D71-R73 IonicContact OD1-CZ 2.79Å; D71-R73 PolarHBondContact OD1-N 2.92Å; D71-R73 IonicContact OD1-NE 2.85Å; D71-R73 PolarHBondContact OD1-NE 3.31Å; D71-R73 IonicContact OD1-NH2 2.69Å; D71-R73 IonicContact OD2-CZ 2.8Å; D71-R73 IonicContact OD2-NE 3.25Å; D71-R73 PolarHBondContact OD2-NE 3.2Å; D71-R73 IonicContact OD2-NH2 2.68Å; D71-R73 PolarHBondContact OD2-NH2 2.84Å
74	L	94.3	Very high	92.5	Very high	71 Å²	71	70.7 Å²	70.7	37%	0.372	38%	0.383	S	S	.	.	S	Bend	trans	-102.6	125.1	-177.1	-61.3	178.8	0	0	0	110.3	D71 V72 F78 R118	D71-L74 HydrophobicContact CB-CD1 4.16Å; D71-L74 HydrophobicContact CB-CG 4.27Å; D71-L74 PolarHBondContact O-N 3.07Å; V72-L74 VanDerWaalsContact C-N 3.34Å; L74-F78 HydrophobicContact CD2-CD1 4.47Å; L74-F78 HydrophobicContact CD2-CD2 4.39Å; L74-F78 HydrophobicContact CD2-CG 4.35Å; L74-R118 PolarHBondContact O-NH1 3.12Å; L74-R118 PolarHBondContact O-NH2 3.19Å
75	R	95.1	Very high	92.9	Very high	9 Å²	9	66.1 Å²	66.1	3%	0.034	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-61.2	153.3	171.4	69.3	161.7	-178.8	98.8	-16.9	111.5	N77 F78 G80 A81 W139 Y206 E209 D210	R75-N77 PolarHBondContact NH1-O 2.83Å; R75-N77 VanDerWaalsContact NH1-O 3.1Å; R75-F78 HydrophobicContact CG-CB 4.27Å; R75-F78 HydrophobicContact CG-CD2 4.11Å; R75-F78 PolarHBondContact O-N 3.23Å; R75-G80 PolarHBondContact NH2-O 3.06Å; R75-A81 PolarHBondContact NH1-O 3.19Å; R75-W139 HydrophobicContact CB-CD2 4.48Å; R75-W139 HydrophobicContact CB-CH2 4.32Å; R75-W139 HydrophobicContact CB-CZ2 3.52Å; R75-Y206 HydrophobicContact CB-CE1 4.24Å; R75-Y206 HydrophobicContact CG-CE1 4.5Å; R75-E209 PolarHBondContact NH2-O 3.36Å; R75-D210 IonicContact CZ-OD1 2.88Å; R75-D210 IonicContact NE-OD1 3.82Å; R75-D210 PolarHBondContact NE-OD1 2.91Å; R75-D210 IonicContact NH2-OD1 3.19Å; R75-D210 PolarHBondContact NH2-OD1 2.87Å
76	P	95.4	Very high	93.1	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.006	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	142.2	165.9	-23.1	30.4	0	0	0	111.2	F78 V83 D116 W139	P76-F78 PolarHBondContact O-N 2.03Å; P76-V83 HydrophobicContact CB-CG1 4.39Å; P76-V83 HydrophobicContact CB-CG2 3.85Å; P76-V83 HydrophobicContact CG-CG1 4.33Å; P76-V83 HydrophobicContact CG-CG2 4.2Å; P76-V83 WeakPolarHBondContact O-CG2 3.42Å; P76-D116 HydrophobicContact CB-CB 4.24Å; P76-D116 HydrophobicContact CG-CB 3.85Å; P76-W139 VanDerWaalsContact CD-CZ3 3.48Å; P76-W139 HydrophobicContact CG-CD2 4.49Å; P76-W139 HydrophobicContact CG-CE3 3.86Å; P76-W139 HydrophobicContact CG-CZ3 3.9Å
77	N	93.2	Very high	93.4	Very high	81 Å²	81	66 Å²	66	43%	0.433	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	31.7	-179.9	-50.3	-29.1	0	0	0	114.8	R75 G79 G80	R75-N77 PolarHBondContact NH1-O 2.83Å; R75-N77 VanDerWaalsContact NH1-O 3.1Å; N77-G79 PolarHBondContact O-N 3.43Å; N77-G80 CarbonylContact O-C 3.54Å; N77-G80 WeakPolarHBondContact O-CA 3.04Å; N77-G80 PolarHBondContact O-N 2.81Å
78	F	93.2	Very high	93.7	Very high	141 Å²	141	64.8 Å²	64.8	62%	0.618	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	132.7	176.2	-175	-94.1	0	0	0	112.2	L74 R75 P76 G80	L74-F78 HydrophobicContact CD2-CD1 4.47Å; L74-F78 HydrophobicContact CD2-CD2 4.39Å; L74-F78 HydrophobicContact CD2-CG 4.35Å; R75-F78 HydrophobicContact CG-CB 4.27Å; R75-F78 HydrophobicContact CG-CD2 4.11Å; R75-F78 PolarHBondContact O-N 3.23Å; P76-F78 PolarHBondContact O-N 2.03Å; F78-G80 PolarHBondContact O-N 2.88Å
79	G	91.3	Very high	94	Very high	79 Å²	79	60.5 Å²	60.5	81%	0.814	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	4.5	-172.6	0	0	0	0	0	114.8	N77	N77-G79 PolarHBondContact O-N 3.43Å
80	G	93.8	Very high	94.3	Very high	42 Å²	42	53 Å²	53	43%	0.433	29%	0.294	S	S	.	.	S	Bend	trans	-131.8	-157.6	172.9	0	0	0	0	0	111.9	R75 N77 F78	R75-G80 PolarHBondContact NH2-O 3.06Å; N77-G80 CarbonylContact O-C 3.54Å; N77-G80 WeakPolarHBondContact O-CA 3.04Å; N77-G80 PolarHBondContact O-N 2.81Å; F78-G80 PolarHBondContact O-N 2.88Å
81	A	95.5	Very high	94.4	Very high	68 Å²	68	51.7 Å²	51.7	56%	0.562	29%	0.289	S	S	*	.	S	Bend	trans	-50.9	149.1	-173.1	0	0	0	0	0	114.1	R75	R75-A81 PolarHBondContact NH1-O 3.19Å
82	P	96	Very high	94.3	Very high	41 Å²	41	51.6 Å²	51.6	27%	0.266	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-58.1	151.5	175	21.1	-32.1	0	0	0	111.9	P84 E209 D210 I212	P82-P84 VanDerWaalsContact O-CD 3.32Å; P82-P84 WeakPolarHBondContact O-CD 3.47Å; P82-E209 WeakPolarHBondContact CB-O 3.21Å; P82-D210 CarbonylContact C-O 3.45Å; P82-D210 WeakPolarHBondContact CA-O 3.44Å; P82-I212 HydrophobicContact CB-CD1 4.1Å; P82-I212 HydrophobicContact CB-CG1 4.02Å; P82-I212 HydrophobicContact CG-CD1 3.65Å; P82-I212 HydrophobicContact CG-CG1 4.14Å
83	V	96.5	Very high	94.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.8	177.7	-174	0	0	0	0	109.4	P76 V85 W114 W139 D210 I211 I212	P76-V83 HydrophobicContact CB-CG1 4.39Å; P76-V83 HydrophobicContact CB-CG2 3.85Å; P76-V83 HydrophobicContact CG-CG1 4.33Å; P76-V83 HydrophobicContact CG-CG2 4.2Å; P76-V83 WeakPolarHBondContact O-CG2 3.42Å; V83-V85 HydrophobicContact CG1-CG2 4.14Å; V83-V85 PolarHBondContact O-N 3.08Å; V83-W114 HydrophobicContact CG1-CB 4.02Å; V83-W139 HydrophobicContact CG1-CH2 4.41Å; V83-W139 HydrophobicContact CG1-CZ3 4.45Å; V83-D210 PolarHBondContact N-O 3.23Å; V83-I211 HydrophobicContact CB-CG1 4.49Å; V83-I212 PolarHBondContact O-N 2.98Å
84	P	95.6	Very high	94.2	Very high	63 Å²	63	41.2 Å²	41.2	41%	0.409	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.9	172.4	29.3	-32.2	0	0	0	109.7	P82 F214	P82-P84 VanDerWaalsContact O-CD 3.32Å; P82-P84 WeakPolarHBondContact O-CD 3.47Å; P84-F214 HydrophobicContact CB-CE1 3.64Å; P84-F214 HydrophobicContact CB-CZ 4.09Å
85	V	96.3	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109.5	177.1	-175	0	0	0	0	109.3	V83 I87 Q112 T113 W114 P141 I211 I212 L213 F214	V83-V85 HydrophobicContact CG1-CG2 4.14Å; V83-V85 PolarHBondContact O-N 3.08Å; V85-I87 HydrophobicContact CG1-CD1 3.84Å; V85-Q112 HydrophobicContact CG1-CB 4.37Å; V85-T113 WeakPolarHBondContact CA-O 3.3Å; V85-W114 HydrophobicContact CG2-CB 4.08Å; V85-P141 HydrophobicContact CG1-CG 4.02Å; V85-P141 HydrophobicContact CG2-CB 4.41Å; V85-P141 HydrophobicContact CG2-CG 3.82Å; V85-I211 HydrophobicContact CB-CG2 4.41Å; V85-I211 HydrophobicContact CG2-CG2 3.82Å; V85-I212 PolarHBondContact N-O 2.94Å; V85-L213 HydrophobicContact CB-CD2 3.94Å; V85-L213 HydrophobicContact CG1-CD2 4.23Å; V85-L213 WeakPolarHBondContact O-CA 3.46Å; V85-F214 WeakPolarHBondContact O-CD1 3.49Å; V85-F214 PolarHBondContact O-N 2.95Å; V85-F214 VanDerWaalsContact O-N 3.08Å
86	R	95.1	Very high	93.7	Very high	94 Å²	94	47.1 Å²	47.1	36%	0.355	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.9	170.6	6.2	178.4	177.6	-86.2	-8.9	109.7	Q112 T113 F214 D216	R86-Q112 CarbonylContact O-C 3.48Å; R86-T113 HydrophobicContact CG-CG2 4.32Å; R86-T113 WeakPolarHBondContact CG-O 3.27Å; R86-T113 PolarHBondContact N-O 2.86Å; R86-T113 PolarHBondContact O-N 2.84Å; R86-F214 CarbonylContact C-O 3.58Å; R86-F214 WeakPolarHBondContact CA-O 3.32Å; R86-F214 HydrophobicContact CB-CD2 4.04Å; R86-F214 HydrophobicContact CB-CE2 3.6Å; R86-F214 HydrophobicContact CB-CZ 3.88Å; R86-F214 HydrophobicContact CG-CE2 3.68Å; R86-F214 HydrophobicContact CG-CZ 3.63Å; R86-D216 HydrophobicContact CB-CB 4.24Å; R86-D216 WeakPolarHBondContact CD-OD1 3.21Å
87	I	95.2	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.1	177.9	-57.5	-58.3	0	0	0	108.9	V85 I89 F110 H111 Q112 F214 W215 D216 L255	V85-I87 HydrophobicContact CG1-CD1 3.84Å; I87-I89 HydrophobicContact CG2-CG1 4.32Å; I87-F110 HydrophobicContact CD1-CE1 4.41Å; I87-F110 HydrophobicContact CD1-CZ 3.94Å; I87-F110 HydrophobicContact CG2-CD2 4.37Å; I87-F110 HydrophobicContact CG2-CE2 3.49Å; I87-F110 VanDerWaalsContact CG2-CE2 3.49Å; I87-F110 HydrophobicContact CG2-CZ 3.79Å; I87-H111 WeakPolarHBondContact CA-O 3.18Å; I87-Q112 HydrophobicContact CD1-CB 4.3Å; I87-Q112 HydrophobicContact CD1-CG 3.92Å; I87-F214 PolarHBondContact N-O 3.39Å; I87-W215 HydrophobicContact CG2-CZ3 4.29Å; I87-D216 PolarHBondContact O-N 3.45Å; I87-D216 VanDerWaalsContact O-N 3.1Å; I87-L255 HydrophobicContact CB-CD1 3.76Å; I87-L255 HydrophobicContact CG1-CD1 3.71Å; I87-L255 HydrophobicContact CG2-CD1 4.31Å
88	S	94.3	Very high	93.5	Very high	16 Å²	16	45 Å²	45	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.4	169	175.5	0	0	0	0	110.1	H111 A221	S88-H111 PolarHBondContact N-O 3.05Å; S88-H111 WeakPolarHBondContact O-CA 3.48Å; S88-H111 PolarHBondContact O-N 3.41Å; S88-A221 CarbonylContact C-O 3.49Å; S88-A221 WeakPolarHBondContact CA-O 3.32Å; S88-A221 VanDerWaalsContact CB-O 3.3Å; S88-A221 WeakPolarHBondContact CB-O 3.48Å; S88-A221 PolarHBondContact OG-O 3.13Å
89	I	94.7	Very high	93.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.8	-177.2	-56.9	-176.4	0	0	0	108.9	I87 V91 M108 F110 L199 W215 A221 I222 H223 L257	I87-I89 HydrophobicContact CG2-CG1 4.32Å; I89-V91 HydrophobicContact CG2-CG2 4Å; I89-M108 HydrophobicContact CG2-CB 4.11Å; I89-M108 HydrophobicContact CG2-CG 4.37Å; I89-M108 HydrophobicContact CG2-SD 3.61Å; I89-F110 HydrophobicContact CD1-CD2 4.15Å; I89-F110 HydrophobicContact CD1-CE2 4.2Å; I89-F110 HydrophobicContact CG1-CD2 3.93Å; I89-F110 HydrophobicContact CG1-CE2 4.24Å; I89-L199 HydrophobicContact CD1-CD2 4.11Å; I89-W215 HydrophobicContact CD1-CH2 4Å; I89-W215 HydrophobicContact CD1-CZ3 3.88Å; I89-W215 HydrophobicContact CG1-CZ3 4.14Å; I89-A221 PolarHBondContact N-O 3.1Å; I89-I222 CarbonylContact O-C 3.57Å; I89-I222 VanDerWaalsContact O-CA 3.28Å; I89-I222 WeakPolarHBondContact O-CA 3.36Å; I89-H223 PolarHBondContact O-N 3.26Å; I89-L257 HydrophobicContact CD1-CD2 4.19Å
90	Y	93.3	Very high	93.3	Very high	79 Å²	79	40.1 Å²	40.1	31%	0.31	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.4	164.6	-173.2	-75	0	0	0	108.7	M108 F109 H223 T225	Y90-M108 CarbonylContact O-C 3.57Å; Y90-M108 WeakPolarHBondContact O-CA 3.34Å; Y90-M108 WeakPolarHBondContact O-CB 3.46Å; Y90-F109 AromaticContact CD1-CD2 3.97Å; Y90-F109 HydrophobicContact CD1-CD2 3.97Å; Y90-F109 HydrophobicContact CD1-CE2 4.48Å; Y90-F109 HydrophobicContact CG-CD2 4.43Å; Y90-F109 PolarHBondContact N-O 3.33Å; Y90-F109 PolarHBondContact O-N 2.89Å; Y90-H223 CarbonylContact C-O 3.56Å; Y90-H223 WeakPolarHBondContact CA-O 3.29Å; Y90-H223 HydrophobicContact CD2-CB 3.43Å; Y90-H223 VanDerWaalsContact CD2-CB 3.43Å; Y90-H223 HydrophobicContact CE2-CB 4Å; Y90-H223 HydrophobicContact CG-CB 4.21Å; Y90-T225 WeakPolarHBondContact OH-CA 3.19Å; Y90-T225 PolarHBondContact OH-N 2.78Å
91	V	93.9	Very high	93.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.1	174.8	-179.4	0	0	0	0	109.5	I89 I106 H223 M224 T225 L228 F259	I89-V91 HydrophobicContact CG2-CG2 4Å; V91-I106 HydrophobicContact CG1-CD1 3.85Å; V91-I106 HydrophobicContact CG1-CG1 4.05Å; V91-I106 HydrophobicContact CG2-CD1 4.04Å; V91-H223 PolarHBondContact N-O 2.74Å; V91-M224 HydrophobicContact CB-CG 3.93Å; V91-M224 HydrophobicContact CG2-CG 4.44Å; V91-M224 WeakPolarHBondContact O-CA 3.18Å; V91-T225 PolarHBondContact O-N 3.43Å; V91-L228 HydrophobicContact CG1-CD1 4.07Å; V91-F259 HydrophobicContact CG2-CE1 4.05Å; V91-F259 HydrophobicContact CG2-CZ 3.98Å
92	T	92	Very high	92.9	Very high	44 Å²	44	41.9 Å²	41.9	27%	0.27	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-49.3	179.1	-50	0	0	0	0	110.7	T107 F109 T225	T92-T107 WeakPolarHBondContact CB-O 3.42Å; T92-T107 PolarHBondContact N-O 2.79Å; T92-F109 WeakPolarHBondContact OG1-CE2 3.43Å; T92-T225 PolarHBondContact O-OG1 3.22Å
93	S	91.4	Very high	92.9	Very high	33 Å²	33	40.4 Å²	40.4	23%	0.231	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155	-177.3	50.1	0	0	0	0	111.7	T107	S93-T107 PolarHBondContact N-O 2.83Å; S93-T107 PolarHBondContact O-N 3.04Å
94	I	92.6	Very high	92.8	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.5	159.5	-63.3	173.7	0	0	0	105.3	I97 Y104 T105 I106 L228 I230	I94-I97 HydrophobicContact CG2-CG1 4.18Å; I94-Y104 HydrophobicContact CG2-CD2 4.32Å; I94-T105 CarbonylContact C-O 3.49Å; I94-T105 WeakPolarHBondContact CA-O 3.2Å; I94-I106 HydrophobicContact CD1-CD1 4.42Å; I94-I106 HydrophobicContact CG1-CB 4.31Å; I94-I106 HydrophobicContact CG1-CD1 4.09Å; I94-I106 HydrophobicContact CG1-CG1 3.99Å; I94-L228 HydrophobicContact CD1-CD2 4.23Å; I94-I230 HydrophobicContact CB-CD1 4.44Å; I94-I230 HydrophobicContact CB-CG1 4.23Å; I94-I230 HydrophobicContact CB-CG2 4.26Å; I94-I230 HydrophobicContact CD1-CD1 3.99Å; I94-I230 HydrophobicContact CG2-CG2 4.05Å
95	E	89.6	Confident	92.8	Very high	92 Å²	92	37.9 Å²	37.9	43%	0.43	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-40	-164	-64.3	176.9	179.1	0	0	111.6	T105 T107	E95-T105 HydrophobicContact CB-CG2 4.41Å; E95-T105 PolarHBondContact N-O 3.23Å; E95-T107 VanDerWaalsContact CD-OG1 3.31Å; E95-T107 WeakPolarHBondContact OE1-CB 3.47Å; E95-T107 PolarHBondContact OE1-OG1 2.69Å
96	Q	89.2	Confident	92.8	Very high	111 Å²	111	37.9 Å²	37.9	52%	0.519	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	153.7	175	58.9	-178.8	-1.1	0	0	110.4	Y104 T105	Q96-Y104 CarbonylContact O-C 3.6Å; Q96-Y104 VanDerWaalsContact O-CA 3.32Å; Q96-Y104 WeakPolarHBondContact O-CA 3.48Å; Q96-T105 PolarHBondContact NE2-OG1 2.9Å; Q96-T105 PolarHBondContact O-N 3.4Å
97	I	92.9	Very high	92.7	Very high	19 Å²	19	33.4 Å²	33.4	10%	0.097	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.3	163	-59	178.9	0	0	0	105	I94 L185 I230 F233 V261	I94-I97 HydrophobicContact CG2-CG1 4.18Å; I97-L185 HydrophobicContact CG2-CD1 4.18Å; I97-L185 HydrophobicContact CG2-CD2 4.23Å; I97-I230 HydrophobicContact CD1-CG2 4.19Å; I97-I230 HydrophobicContact CG1-CG2 4.47Å; I97-F233 HydrophobicContact CB-CD2 4.4Å; I97-F233 HydrophobicContact CB-CE2 3.84Å; I97-F233 HydrophobicContact CB-CZ 4.34Å; I97-F233 HydrophobicContact CD1-CD1 4.42Å; I97-F233 HydrophobicContact CD1-CD2 3.83Å; I97-F233 HydrophobicContact CD1-CE2 3.93Å; I97-F233 HydrophobicContact CD1-CG 4.08Å; I97-F233 HydrophobicContact CD1-CZ 4.25Å; I97-F233 HydrophobicContact CG1-CD2 4.43Å; I97-F233 HydrophobicContact CG1-CE2 4.32Å; I97-F233 HydrophobicContact CG2-CE2 4.23Å; I97-F233 HydrophobicContact CG2-CZ 4.22Å; I97-V261 HydrophobicContact CD1-CG2 3.99Å
98	S	91.8	Very high	92.7	Very high	20 Å²	20	33.4 Å²	33.4	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110	-177.9	-171.5	0	0	0	0	110.5	M100 N101 M102 D103	S98-M100 VanDerWaalsContact C-N 3.29Å; S98-N101 PolarHBondContact OG-N 2.93Å; S98-M102 WeakPolarHBondContact O-CA 3.45Å; S98-M102 PolarHBondContact O-N 2.9Å; S98-D103 VanDerWaalsContact CB-OD1 3.31Å; S98-D103 WeakPolarHBondContact CB-OD1 3.39Å; S98-D103 PolarHBondContact N-O 2.92Å; S98-D103 PolarHBondContact O-N 2.82Å
99	E	90.1	Very high	92.8	Very high	22 Å²	22	36.1 Å²	36.1	10%	0.103	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-43.2	167.3	-67.3	71.4	-159.3	0	0	110.7	N101 M102 L185 L187 R263 L319 P320	E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.92Å; E99-M102 PolarHBondContact O-N 2.93Å; E99-L185 HydrophobicContact CG-CD1 4.36Å; E99-L187 HydrophobicContact CB-CD1 4.39Å; E99-L187 HydrophobicContact CG-CD1 4.47Å; E99-L187 HydrophobicContact CG-CD2 4.24Å; E99-R263 IonicContact OE1-CZ 3.36Å; E99-R263 IonicContact OE1-NH1 2.86Å; E99-R263 PolarHBondContact OE1-NH1 3Å; E99-R263 IonicContact OE1-NH2 2.66Å; E99-R263 PolarHBondContact OE1-NH2 3.16Å; E99-L319 HydrophobicContact CB-CD2 4.09Å; E99-L319 HydrophobicContact CG-CD2 4.1Å; E99-P320 WeakPolarHBondContact O-CD 3.34Å; E99-P320 WeakPolarHBondContact O-CG 3.5Å
100	M	88.7	Confident	92.8	Very high	95 Å²	95	36.3 Å²	36.3	47%	0.468	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-44.1	-176.5	-64.5	-59.9	-75.2	0	0	112.6	S98 L319	S98-M100 VanDerWaalsContact C-N 3.29Å; M100-L319 VanDerWaalsContact SD-CA 3.56Å; M100-L319 PolarHBondContact SD-N 2.89Å
101	N	90.6	Very high	92.9	Very high	99 Å²	99	36 Å²	36	53%	0.529	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-10.4	-174.2	-61	-24.7	0	0	0	113.5	S98 E99 D103 K149	S98-N101 PolarHBondContact OG-N 2.93Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.92Å; N101-D103 WeakPolarHBondContact CB-OD2 3.27Å; N101-K149 PolarHBondContact O-NZ 2.87Å
102	M	92.1	Very high	93	Very high	48 Å²	48	36.4 Å²	36.4	24%	0.236	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	53.1	-172.5	-57	-69.8	-109.8	0	0	111.6	S98 E99 C183 L185 I322	S98-M102 WeakPolarHBondContact O-CA 3.45Å; S98-M102 PolarHBondContact O-N 2.9Å; E99-M102 PolarHBondContact O-N 2.93Å; M102-C183 CarbonylContact C-O 3.55Å; M102-C183 VanDerWaalsContact C-O 3.26Å; M102-C183 WeakPolarHBondContact CB-O 3.4Å; M102-C183 PolarHBondContact O-N 3.02Å; M102-C183 VanDerWaalsContact O-O 3.09Å; M102-L185 HydrophobicContact CE-CB 4.22Å; M102-L185 WeakPolarHBondContact CE-O 3.42Å; M102-L185 HydrophobicContact SD-CB 3.86Å; M102-L185 HydrophobicContact SD-CD1 4.04Å; M102-L185 HydrophobicContact SD-CG 4.07Å; M102-I322 HydrophobicContact CE-CD1 3.57Å; M102-I322 HydrophobicContact SD-CD1 4.34Å
103	D	95.3	Very high	93.2	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	172.4	176.6	54.9	40.7	0	0	0	112.6	S98 N101 K149 T180 A181	S98-D103 VanDerWaalsContact CB-OD1 3.31Å; S98-D103 WeakPolarHBondContact CB-OD1 3.39Å; S98-D103 PolarHBondContact N-O 2.92Å; S98-D103 PolarHBondContact O-N 2.82Å; N101-D103 WeakPolarHBondContact CB-OD2 3.27Å; D103-K149 HydrophobicContact CB-CD 4.21Å; D103-K149 WeakPolarHBondContact OD2-CD 3.38Å; D103-K149 WeakPolarHBondContact OD2-CE 3.38Å; D103-K149 IonicContact OD2-NZ 3.14Å; D103-K149 PolarHBondContact OD2-NZ 2.94Å; D103-T180 HydrophobicContact CB-CG2 3.92Å; D103-A181 CarbonylContact C-O 3.59Å; D103-A181 VanDerWaalsContact CA-O 3.25Å; D103-A181 WeakPolarHBondContact CA-O 3.21Å; D103-A181 VanDerWaalsContact CB-O 3.31Å; D103-A181 WeakPolarHBondContact CB-O 3.39Å
104	Y	95.2	Very high	93.4	Very high	2 Å²	2	34 Å²	34	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.1	173.1	68.3	-74.4	0	0	0	110.6	I94 Q96 I106 T180 A181 C183 C197 N198 L199 F259	I94-Y104 HydrophobicContact CG2-CD2 4.32Å; Q96-Y104 CarbonylContact O-C 3.6Å; Q96-Y104 VanDerWaalsContact O-CA 3.32Å; Q96-Y104 WeakPolarHBondContact O-CA 3.48Å; Y104-I106 HydrophobicContact CD2-CB 4.14Å; Y104-I106 HydrophobicContact CD2-CG2 4.33Å; Y104-I106 HydrophobicContact CE2-CB 3.96Å; Y104-I106 HydrophobicContact CE2-CD1 4.35Å; Y104-I106 HydrophobicContact CE2-CG2 3.83Å; Y104-T180 CarbonylContact O-C 3.06Å; Y104-T180 WeakPolarHBondContact O-CA 3.26Å; Y104-A181 HydrophobicContact CD1-CB 4.29Å; Y104-A181 WeakPolarHBondContact CD1-O 3.4Å; Y104-A181 HydrophobicContact CE1-CB 3.69Å; Y104-A181 PolarHBondContact N-O 3.12Å; Y104-A181 PolarHBondContact O-N 2.82Å; Y104-C183 HydrophobicContact CD1-CB 3.68Å; Y104-C183 HydrophobicContact CE1-CB 3.98Å; Y104-C197 HydrophobicContact CD1-CB 3.87Å; Y104-C197 HydrophobicContact CE1-CB 3.63Å; Y104-N198 VanDerWaalsContact OH-C 3.32Å; Y104-N198 PolarHBondContact OH-O 3.1Å; Y104-L199 PolarHBondContact OH-N 2.99Å; Y104-F259 HydrophobicContact CE2-CD2 4.32Å; Y104-F259 HydrophobicContact CE2-CE2 4.33Å
105	T	95.4	Very high	93.6	Very high	8 Å²	8	38 Å²	38	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.2	178.7	-53.8	0	0	0	0	109.4	I94 E95 Q96 T178 T179 T180	I94-T105 CarbonylContact C-O 3.49Å; I94-T105 WeakPolarHBondContact CA-O 3.2Å; E95-T105 HydrophobicContact CB-CG2 4.41Å; E95-T105 PolarHBondContact N-O 3.23Å; Q96-T105 PolarHBondContact NE2-OG1 2.9Å; Q96-T105 PolarHBondContact O-N 3.4Å; T105-T178 HydrophobicContact CG2-CG2 3.46Å; T105-T178 VanDerWaalsContact CG2-CG2 3.46Å; T105-T179 WeakPolarHBondContact CA-O 3.44Å; T105-T180 PolarHBondContact OG1-OG1 2.9Å
106	I	94.6	Very high	93.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132	-178.8	-176	169	0	0	0	111	V91 I94 Y104 T178 T179 F259	V91-I106 HydrophobicContact CG1-CD1 3.85Å; V91-I106 HydrophobicContact CG1-CG1 4.05Å; V91-I106 HydrophobicContact CG2-CD1 4.04Å; I94-I106 HydrophobicContact CD1-CD1 4.42Å; I94-I106 HydrophobicContact CG1-CB 4.31Å; I94-I106 HydrophobicContact CG1-CD1 4.09Å; I94-I106 HydrophobicContact CG1-CG1 3.99Å; Y104-I106 HydrophobicContact CD2-CB 4.14Å; Y104-I106 HydrophobicContact CD2-CG2 4.33Å; Y104-I106 HydrophobicContact CE2-CB 3.96Å; Y104-I106 HydrophobicContact CE2-CD1 4.35Å; Y104-I106 HydrophobicContact CE2-CG2 3.83Å; I106-T178 WeakPolarHBondContact O-CA 3.04Å; I106-T179 HydrophobicContact CG2-CG2 3.66Å; I106-T179 PolarHBondContact N-O 3.24Å; I106-T179 PolarHBondContact O-N 2.92Å; I106-F259 HydrophobicContact CD1-CE1 4.27Å; I106-F259 HydrophobicContact CD1-CE2 3.6Å; I106-F259 HydrophobicContact CD1-CZ 3.37Å
107	T	94.8	Very high	94.1	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.1	-179.6	-68.8	0	0	0	0	109.5	T92 S93 E95 T178	T92-T107 WeakPolarHBondContact CB-O 3.42Å; T92-T107 PolarHBondContact N-O 2.79Å; S93-T107 PolarHBondContact N-O 2.83Å; S93-T107 PolarHBondContact O-N 3.04Å; E95-T107 VanDerWaalsContact CD-OG1 3.31Å; E95-T107 WeakPolarHBondContact OE1-CB 3.47Å; E95-T107 PolarHBondContact OE1-OG1 2.69Å; T107-T178 WeakPolarHBondContact OG1-CB 3.31Å; T107-T178 VanDerWaalsContact OG1-CG2 3.32Å; T107-T178 WeakPolarHBondContact OG1-CG2 3.4Å; T107-T178 PolarHBondContact OG1-OG1 2.95Å
108	M	95.1	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.6	-167.8	59.7	-177.9	178.6	0	0	112.8	I89 Y90 F145 L177 T179 L199	I89-M108 HydrophobicContact CG2-CB 4.11Å; I89-M108 HydrophobicContact CG2-CG 4.37Å; I89-M108 HydrophobicContact CG2-SD 3.61Å; Y90-M108 CarbonylContact O-C 3.57Å; Y90-M108 WeakPolarHBondContact O-CA 3.34Å; Y90-M108 WeakPolarHBondContact O-CB 3.46Å; M108-F145 HydrophobicContact CE-CD1 4.35Å; M108-F145 HydrophobicContact CE-CE1 3.52Å; M108-F145 HydrophobicContact CE-CE2 4.21Å; M108-F145 HydrophobicContact CE-CZ 3.45Å; M108-F145 VanDerWaalsContact CE-CZ 3.45Å; M108-L177 HydrophobicContact CE-CD1 3.56Å; M108-L177 HydrophobicContact CE-CG 4.32Å; M108-L177 HydrophobicContact CG-CD1 4.47Å; M108-L177 PolarHBondContact N-O 2.66Å; M108-L177 PolarHBondContact O-N 3.44Å; M108-L177 VanDerWaalsContact O-O 3.07Å; M108-T179 HydrophobicContact CE-CG2 3.82Å; M108-L199 HydrophobicContact CE-CD2 3.87Å; M108-L199 HydrophobicContact SD-CD2 3.78Å
109	F	95.3	Very high	94.2	Very high	72 Å²	72	34.2 Å²	34.2	32%	0.316	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.4	160.9	-56.1	-96.6	0	0	0	108.4	Y90 T92 I175 R176	Y90-F109 AromaticContact CD1-CD2 3.97Å; Y90-F109 HydrophobicContact CD1-CD2 3.97Å; Y90-F109 HydrophobicContact CD1-CE2 4.48Å; Y90-F109 HydrophobicContact CG-CD2 4.43Å; Y90-F109 PolarHBondContact N-O 3.33Å; Y90-F109 PolarHBondContact O-N 2.89Å; T92-F109 WeakPolarHBondContact OG1-CE2 3.43Å; F109-I175 CarbonylContact C-O 3.58Å; F109-I175 WeakPolarHBondContact CA-O 3.25Å; F109-R176 HydrophobicContact CD1-CB 3.68Å; F109-R176 HydrophobicContact CD1-CG 3.99Å; F109-R176 HydrophobicContact CE1-CB 3.68Å; F109-R176 HydrophobicContact CE1-CG 3.74Å; F109-R176 HydrophobicContact CZ-CG 4.11Å
110	F	96.1	Very high	94.3	Very high	4 Å²	4	35 Å²	35	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.7	175.4	-172.7	-107.8	0	0	0	108.3	I87 I89 Q112 C143 F145 I175 L177 V201	I87-F110 HydrophobicContact CD1-CE1 4.41Å; I87-F110 HydrophobicContact CD1-CZ 3.94Å; I87-F110 HydrophobicContact CG2-CD2 4.37Å; I87-F110 HydrophobicContact CG2-CE2 3.49Å; I87-F110 VanDerWaalsContact CG2-CE2 3.49Å; I87-F110 HydrophobicContact CG2-CZ 3.79Å; I89-F110 HydrophobicContact CD1-CD2 4.15Å; I89-F110 HydrophobicContact CD1-CE2 4.2Å; I89-F110 HydrophobicContact CG1-CD2 3.93Å; I89-F110 HydrophobicContact CG1-CE2 4.24Å; F110-Q112 HydrophobicContact CD1-CG 4Å; F110-Q112 HydrophobicContact CE1-CG 3.6Å; F110-Q112 HydrophobicContact CZ-CG 4.45Å; F110-C143 HydrophobicContact CE1-CB 3.98Å; F110-C143 HydrophobicContact CZ-CB 4.12Å; F110-F145 HydrophobicContact CD2-CE1 4.18Å; F110-F145 AromaticContact CD2-CZ 3.82Å; F110-F145 HydrophobicContact CD2-CZ 3.82Å; F110-F145 HydrophobicContact CE2-CE1 4.1Å; F110-F145 HydrophobicContact CE2-CZ 4.02Å; F110-F145 HydrophobicContact CG-CZ 4.09Å; F110-F145 HydrophobicContact CZ-CZ 4.44Å; F110-I175 HydrophobicContact CB-CG2 3.98Å; F110-I175 HydrophobicContact CD1-CG2 4.3Å; F110-I175 PolarHBondContact N-O 2.9Å; F110-I175 PolarHBondContact O-N 2.97Å; F110-L177 HydrophobicContact CB-CD2 4.12Å; F110-V201 HydrophobicContact CE2-CG1 4.03Å; F110-V201 HydrophobicContact CE2-CG2 4.17Å; F110-V201 HydrophobicContact CZ-CG1 3.73Å
111	H	95.1	Very high	94.4	Very high	73 Å²	73	31 Å²	31	34%	0.338	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127	-178.6	-65.4	167.8	0	0	0	110	I87 S88 Y173	I87-H111 WeakPolarHBondContact CA-O 3.18Å; S88-H111 PolarHBondContact N-O 3.05Å; S88-H111 WeakPolarHBondContact O-CA 3.48Å; S88-H111 PolarHBondContact O-N 3.41Å; H111-Y173 CarbonylContact C-O 3.55Å; H111-Y173 WeakPolarHBondContact CA-O 3.1Å
112	Q	95.7	Very high	94.3	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.6	172.3	-51.9	-177.5	22.7	0	0	109	V85 R86 I87 F110 W114 P141 R172 Y173	V85-Q112 HydrophobicContact CG1-CB 4.37Å; R86-Q112 CarbonylContact O-C 3.48Å; I87-Q112 HydrophobicContact CD1-CB 4.3Å; I87-Q112 HydrophobicContact CD1-CG 3.92Å; F110-Q112 HydrophobicContact CD1-CG 4Å; F110-Q112 HydrophobicContact CE1-CG 3.6Å; F110-Q112 HydrophobicContact CZ-CG 4.45Å; Q112-W114 HydrophobicContact CB-CE3 4.16Å; Q112-W114 HydrophobicContact CB-CZ3 3.95Å; Q112-P141 VanDerWaalsContact OE1-CD 3.23Å; Q112-P141 VanDerWaalsContact OE1-CG 3.26Å; Q112-R172 WeakPolarHBondContact O-CA 3.38Å; Q112-Y173 HydrophobicContact CG-CD1 4.31Å; Q112-Y173 PolarHBondContact N-O 3.11Å; Q112-Y173 PolarHBondContact O-N 2.89Å
113	T	95.5	Very high	94	Very high	23 Å²	23	35.5 Å²	35.5	14%	0.141	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.2	174.1	-62.3	0	0	0	0	110.3	V85 R86 T170 V171 R172	V85-T113 WeakPolarHBondContact CA-O 3.3Å; R86-T113 HydrophobicContact CG-CG2 4.32Å; R86-T113 WeakPolarHBondContact CG-O 3.27Å; R86-T113 PolarHBondContact N-O 2.86Å; R86-T113 PolarHBondContact O-N 2.84Å; T113-T170 HydrophobicContact CG2-CG2 3.69Å; T113-V171 WeakPolarHBondContact CA-O 3.45Å; T113-R172 HydrophobicContact CG2-CG 4.12Å
114	W	96.2	Very high	93.4	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	174.4	176.5	69.5	92.5	0	0	0	110.5	V83 V85 Q112 W139 V140 P141 T170 V171 Y173	V83-W114 HydrophobicContact CG1-CB 4.02Å; V85-W114 HydrophobicContact CG2-CB 4.08Å; Q112-W114 HydrophobicContact CB-CE3 4.16Å; Q112-W114 HydrophobicContact CB-CZ3 3.95Å; W114-W139 HydrophobicContact CD2-CZ3 4.38Å; W114-W139 HydrophobicContact CG-CZ3 4.28Å; W114-W139 WeakPolarHBondContact CZ2-O 3.4Å; W114-W139 AromaticContact NE1-CE3 3.89Å; W114-W139 AromaticContact NE1-CZ3 3.98Å; W114-V140 HydrophobicContact CH2-CB 4.41Å; W114-V140 HydrophobicContact CH2-CG1 4.22Å; W114-V140 HydrophobicContact CH2-CG2 4.22Å; W114-P141 HydrophobicContact CD2-CG 4.28Å; W114-P141 HydrophobicContact CE3-CG 3.9Å; W114-P141 HydrophobicContact CZ3-CG 4.19Å; W114-T170 CarbonylContact O-C 3.56Å; W114-T170 WeakPolarHBondContact O-CA 3.28Å; W114-V171 HydrophobicContact CD2-CB 4.09Å; W114-V171 HydrophobicContact CH2-CB 4.31Å; W114-V171 HydrophobicContact CH2-CG1 3.84Å; W114-V171 HydrophobicContact CZ2-CB 3.73Å; W114-V171 HydrophobicContact CZ2-CG1 3.55Å; W114-V171 HydrophobicContact CZ2-CG2 4.09Å; W114-V171 HydrophobicContact CZ3-CG1 4.5Å; W114-V171 PolarHBondContact N-O 2.96Å; W114-V171 VanDerWaalsContact N-O 3.08Å; W114-V171 PolarHBondContact O-N 3.07Å; W114-Y173 HydrophobicContact CH2-CG 4.45Å
115	K	95.8	Very high	92.9	Very high	88 Å²	88	42.4 Å²	42.4	38%	0.383	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.5	176.3	-172.4	170.9	179.7	122.3	0	110.9	D168	K115-D168 WeakPolarHBondContact CE-O 3.44Å; K115-D168 PolarHBondContact NZ-O 2.87Å; K115-D168 IonicContact NZ-OD2 2.67Å; K115-D168 PolarHBondContact NZ-OD2 2.84Å
116	D	95.8	Very high	92.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.011	23%	0.226	C	C	.	.			trans	-123.8	102.1	174.6	-170.2	-14	0	0	0	109.8	Y70 P76 R118 L119 G169 V171	Y70-D116 VanDerWaalsContact CE2-OD2 3.27Å; Y70-D116 WeakPolarHBondContact CE2-OD2 3.3Å; Y70-D116 PolarHBondContact OH-OD2 3.05Å; P76-D116 HydrophobicContact CB-CB 4.24Å; P76-D116 HydrophobicContact CG-CB 3.85Å; D116-R118 PolarHBondContact O-N 3.05Å; D116-R118 VanDerWaalsContact OD1-CB 3.23Å; D116-R118 WeakPolarHBondContact OD1-CB 3.12Å; D116-R118 VanDerWaalsContact OD1-CG 3.31Å; D116-R118 WeakPolarHBondContact OD1-CG 3.49Å; D116-R118 IonicContact OD1-CZ 3.13Å; D116-R118 PolarHBondContact OD1-N 3.2Å; D116-R118 IonicContact OD1-NE 2.75Å; D116-R118 PolarHBondContact OD1-NE 2.79Å; D116-R118 IonicContact OD1-NH2 3.33Å; D116-R118 IonicContact OD2-CZ 2.75Å; D116-R118 IonicContact OD2-NE 3.77Å; D116-R118 PolarHBondContact OD2-NE 2.82Å; D116-R118 VanDerWaalsContact OD2-NE 3.14Å; D116-R118 IonicContact OD2-NH2 2.7Å; D116-R118 PolarHBondContact OD2-NH2 2.87Å; D116-L119 HydrophobicContact CB-CD1 3.96Å; D116-L119 HydrophobicContact CB-CG 4.11Å; D116-L119 PolarHBondContact O-N 2.84Å; D116-G169 PolarHBondContact N-O 3.17Å; D116-V171 HydrophobicContact CB-CG2 4.47Å
117	S	93.3	Very high	92.3	Very high	76 Å²	76	48.5 Å²	48.5	53%	0.531	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-58.3	-19.1	-179.7	-51.9	0	0	0	0	113.7	L119	S117-L119 VanDerWaalsContact C-N 3.26Å; S117-L119 PolarHBondContact O-N 2.99Å
118	R	93.5	Very high	92.1	Very high	83 Å²	83	49 Å²	49	31%	0.313	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-70	-23	175.3	-57.7	174.3	-70.2	-175.8	-2.2	112.7	Y70 D71 L74 D116	Y70-R118 HydrophobicContact CD2-CB 4Å; Y70-R118 HydrophobicContact CE2-CB 3.95Å; Y70-R118 PolarHBondContact OH-NH2 2.83Å; Y70-R118 VanDerWaalsContact OH-NH2 3.15Å; D71-R118 PolarHBondContact O-NH1 2.88Å; L74-R118 PolarHBondContact O-NH1 3.12Å; L74-R118 PolarHBondContact O-NH2 3.19Å; D116-R118 PolarHBondContact O-N 3.05Å; D116-R118 VanDerWaalsContact OD1-CB 3.23Å; D116-R118 WeakPolarHBondContact OD1-CB 3.12Å; D116-R118 VanDerWaalsContact OD1-CG 3.31Å; D116-R118 WeakPolarHBondContact OD1-CG 3.49Å; D116-R118 IonicContact OD1-CZ 3.13Å; D116-R118 PolarHBondContact OD1-N 3.2Å; D116-R118 IonicContact OD1-NE 2.75Å; D116-R118 PolarHBondContact OD1-NE 2.79Å; D116-R118 IonicContact OD1-NH2 3.33Å; D116-R118 IonicContact OD2-CZ 2.75Å; D116-R118 IonicContact OD2-NE 3.77Å; D116-R118 PolarHBondContact OD2-NE 2.82Å; D116-R118 VanDerWaalsContact OD2-NE 3.14Å; D116-R118 IonicContact OD2-NH2 2.7Å; D116-R118 PolarHBondContact OD2-NH2 2.87Å
119	L	93.3	Very high	91.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-99.2	1.1	-174.6	-55.6	177.9	0	0	0	113.7	V66 Y70 D116 S117 L138 L165 V171	V66-L119 HydrophobicContact CG1-CB 4.28Å; V66-L119 HydrophobicContact CG1-CD2 3.32Å; V66-L119 HydrophobicContact CG1-CG 4.39Å; Y70-L119 HydrophobicContact CD2-CD2 3.55Å; Y70-L119 HydrophobicContact CD2-CG 4.38Å; Y70-L119 HydrophobicContact CE2-CD1 4.25Å; Y70-L119 HydrophobicContact CE2-CD2 3.36Å; Y70-L119 HydrophobicContact CE2-CG 3.77Å; Y70-L119 HydrophobicContact CG-CD2 4.4Å; D116-L119 HydrophobicContact CB-CD1 3.96Å; D116-L119 HydrophobicContact CB-CG 4.11Å; D116-L119 PolarHBondContact O-N 2.84Å; S117-L119 VanDerWaalsContact C-N 3.26Å; S117-L119 PolarHBondContact O-N 2.99Å; L119-L138 HydrophobicContact CD1-CD2 3.94Å; L119-L138 HydrophobicContact CD2-CD2 3.74Å; L119-L165 HydrophobicContact CB-CD1 3.65Å; L119-L165 HydrophobicContact CB-CD2 4.23Å; L119-L165 HydrophobicContact CD1-CD1 4.03Å; L119-L165 HydrophobicContact CG-CD1 4.48Å; L119-V171 HydrophobicContact CD1-CG2 3.56Å
120	A	92.8	Very high	91.7	Very high	40 Å²	40	51 Å²	51	33%	0.331	27%	0.265	S	S	.	.			trans	-65.2	148.4	178.8	0	0	0	0	0	112.5	P167	A120-P167 WeakPolarHBondContact CA-O 3.18Å
121	Y	90.8	Very high	91.3	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.035	29%	0.288	C	S	.	.			trans	-144.6	151.3	179.4	58	-94.8	0	0	0	112	I62 T124 L126 L128 L165 P167	I62-Y121 HydrophobicContact CD1-CD2 4.22Å; I62-Y121 HydrophobicContact CG2-CD1 4.06Å; I62-Y121 HydrophobicContact CG2-CG 3.92Å; Y121-T124 VanDerWaalsContact CE2-O 3.32Å; Y121-T124 WeakPolarHBondContact CE2-O 3.46Å; Y121-T124 VanDerWaalsContact CE2-OG1 3.28Å; Y121-T124 WeakPolarHBondContact CE2-OG1 3.39Å; Y121-L126 PolarHBondContact OH-O 2.84Å; Y121-L128 HydrophobicContact CD1-CD1 4.39Å; Y121-L128 HydrophobicContact CE1-CD1 3.88Å; Y121-L128 HydrophobicContact CE1-CG 4.26Å; Y121-L128 HydrophobicContact CE2-CD1 4.3Å; Y121-L128 HydrophobicContact CE2-CG 4.38Å; Y121-L128 PolarHBondContact OH-N 2.81Å; Y121-L165 HydrophobicContact CD1-CD2 4.08Å; Y121-L165 HydrophobicContact CD1-CG 4.48Å; Y121-L165 HydrophobicContact CE1-CD2 3.83Å; Y121-L165 HydrophobicContact CE1-CG 3.87Å; Y121-L165 PolarHBondContact OH-O 3.29Å; Y121-P167 HydrophobicContact CD2-CB 3.99Å; Y121-P167 HydrophobicContact CE2-CB 3.64Å; Y121-P167 PolarHBondContact N-O 3.48Å
122	Y	88.9	Confident	91.1	Very high	189 Å²	189	54.8 Å²	54.8	74%	0.741	28%	0.284	S	S	*	.	S	Bend	trans	-120.6	-7.2	-176.1	56.3	-102.1	0	0	0	113	R65 T124	R65-Y122 PolarHBondContact NH1-OH 2.85Å; R65-Y122 VanDerWaalsContact NH1-OH 3.16Å; Y122-T124 VanDerWaalsContact C-N 3.29Å; Y122-T124 PolarHBondContact O-N 2.87Å
123	E	85.6	Confident	90.8	Very high	54 Å²	54	61.9 Å²	61.9	25%	0.252	31%	0.31	S	S	.	.	S	Bend	trans	-62.8	-30.8	178.7	-78.2	70.8	-163.8	0	0	113.8	V58 I62 R65	V58-E123 HydrophobicContact CG1-CB 3.99Å; V58-E123 HydrophobicContact CG1-CG 4.46Å; I62-E123 HydrophobicContact CD1-CB 3.69Å; I62-E123 HydrophobicContact CD1-CG 4.37Å; I62-E123 HydrophobicContact CG1-CB 3.73Å; I62-E123 HydrophobicContact CG1-CG 3.85Å; R65-E123 IonicContact CZ-OE1 3.59Å; R65-E123 IonicContact CZ-OE2 3.31Å; R65-E123 VanDerWaalsContact CZ-OE2 3.31Å; R65-E123 IonicContact NH1-OE1 2.68Å; R65-E123 PolarHBondContact NH1-OE1 2.85Å; R65-E123 IonicContact NH1-OE2 2.98Å; R65-E123 PolarHBondContact NH1-OE2 3.31Å; R65-E123 IonicContact NH2-OE1 3.82Å; R65-E123 IonicContact NH2-OE2 2.77Å; R65-E123 PolarHBondContact NH2-OE2 3.22Å
124	T	83.1	Confident	90.6	Very high	22 Å²	22	61.7 Å²	61.7	14%	0.135	31%	0.308	C	S	.	.			trans	-145.7	145.6	-174.5	50.6	0	0	0	0	110.6	A54 V58 I62 Y121 Y122 L126	A54-T124 HydrophobicContact CB-CG2 4.02Å; V58-T124 HydrophobicContact CG1-CG2 3.96Å; I62-T124 HydrophobicContact CD1-CG2 4.44Å; Y121-T124 VanDerWaalsContact CE2-O 3.32Å; Y121-T124 WeakPolarHBondContact CE2-O 3.46Å; Y121-T124 VanDerWaalsContact CE2-OG1 3.28Å; Y121-T124 WeakPolarHBondContact CE2-OG1 3.39Å; Y122-T124 VanDerWaalsContact C-N 3.29Å; Y122-T124 PolarHBondContact O-N 2.87Å; T124-L126 VanDerWaalsContact C-N 3.3Å
125	T	84.3	Confident	90.3	Very high	134 Å²	134	64.7 Å²	64.7	82%	0.822	32%	0.322	S	S	*	.	S	Bend	trans	-91.4	6.9	172.4	50	0	0	0	0	113
126	L	87	Confident	90.1	Very high	60 Å²	60	68 Å²	68	31%	0.314	34%	0.339	S	S	.	.	S	Bend	trans	-95.2	141.4	-175.6	-60.6	164.4	0	0	0	109.9	N52 A54 Y121 T124	N52-L126 WeakPolarHBondContact O-CD1 3.46Å; N52-L126 WeakPolarHBondContact O-CD2 3.49Å; A54-L126 HydrophobicContact CB-CD1 4.13Å; Y121-L126 PolarHBondContact OH-O 2.84Å; T124-L126 VanDerWaalsContact C-N 3.3Å
127	N	90.7	Very high	89.9	Confident	75 Å²	75	73.1 Å²	73.1	40%	0.401	36%	0.361	S	S	.	.			trans	-74.6	126.4	175.6	-56.4	-21.8	0	0	0	109.5	T129 Q164 L165 H166	N127-T129 PolarHBondContact O-N 2.78Å; N127-Q164 HydrophobicContact CB-CG 4.13Å; N127-L165 CarbonylContact C-O 3.59Å; N127-L165 WeakPolarHBondContact CA-O 3.33Å; N127-H166 VanDerWaalsContact CG-ND1 3.33Å; N127-H166 PolarHBondContact ND2-CE1 2.89Å; N127-H166 VanDerWaalsContact ND2-CE1 3.32Å; N127-H166 PolarHBondContact ND2-ND1 3.02Å; N127-H166 PolarHBondContact OD1-ND1 3.1Å; N127-H166 VanDerWaalsContact OD1-ND1 3.16Å
128	L	89.8	Confident	90	Very high	12 Å²	12	69.8 Å²	69.8	6%	0.063	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	107.4	179.2	-62.8	177.4	0	0	0	109.5	V59 I62 Y121 L130 Q164 L165	V59-L128 HydrophobicContact CG1-CD1 4.46Å; V59-L128 HydrophobicContact CG1-CD2 4.11Å; V59-L128 HydrophobicContact CG2-CD2 3.89Å; I62-L128 HydrophobicContact CD1-CD1 4.13Å; I62-L128 HydrophobicContact CG2-CD1 4.06Å; Y121-L128 HydrophobicContact CD1-CD1 4.39Å; Y121-L128 HydrophobicContact CE1-CD1 3.88Å; Y121-L128 HydrophobicContact CE1-CG 4.26Å; Y121-L128 HydrophobicContact CE2-CD1 4.3Å; Y121-L128 HydrophobicContact CE2-CG 4.38Å; Y121-L128 PolarHBondContact OH-N 2.81Å; L128-L130 HydrophobicContact CB-CD2 4.3Å; L128-L130 HydrophobicContact CB-CG 4.42Å; L128-Q164 WeakPolarHBondContact O-CA 3.32Å; L128-L165 PolarHBondContact N-O 3.02Å; L128-L165 PolarHBondContact O-N 3.44Å
129	T	91.7	Very high	90.1	Very high	93 Å²	93	66.1 Å²	66.1	57%	0.571	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.1	166.5	-54.3	0	0	0	0	108.7	N127 V162 F163	N127-T129 PolarHBondContact O-N 2.78Å; T129-V162 HydrophobicContact CG2-CG2 3.77Å; T129-F163 CarbonylContact C-O 3.58Å; T129-F163 WeakPolarHBondContact CA-O 3.5Å
130	L	90.3	Very high	90.2	Very high	22 Å²	22	67.4 Å²	67.4	12%	0.115	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.9	-168.8	-57.3	167.7	0	0	0	111	L63 L128 M134 F163 L165	L63-L130 HydrophobicContact CD1-CD2 3.98Å; L63-L130 HydrophobicContact CD2-CD1 4.15Å; L63-L130 HydrophobicContact CD2-CD2 4.02Å; L128-L130 HydrophobicContact CB-CD2 4.3Å; L128-L130 HydrophobicContact CB-CG 4.42Å; L130-M134 HydrophobicContact CB-CG 3.93Å; L130-M134 HydrophobicContact CD1-CE 4.15Å; L130-M134 HydrophobicContact CD1-CG 4.4Å; L130-M134 HydrophobicContact CD2-CE 4.22Å; L130-F163 HydrophobicContact CB-CB 4.2Å; L130-F163 PolarHBondContact N-O 2.9Å; L130-F163 PolarHBondContact O-N 2.83Å; L130-L165 HydrophobicContact CD1-CB 4.22Å
131	D	89.1	Confident	90.4	Very high	91 Å²	91	65.8 Å²	65.8	49%	0.487	32%	0.317	S	S	.	.			trans	-63.9	155.1	-178.1	-175.3	41.1	0	0	0	113.6	R133 M134	D131-R133 PolarHBondContact O-N 3Å; D131-R133 WeakPolarHBondContact OD2-CD 3.43Å; D131-R133 WeakPolarHBondContact OD2-CG 3.42Å; D131-M134 PolarHBondContact O-N 2.86Å; D131-M134 VanDerWaalsContact O-N 3.1Å
132	Y	89.5	Confident	90.5	Very high	65 Å²	65	67.7 Å²	67.7	26%	0.255	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-55.5	-31.4	-176.5	70.9	-87.7	0	0	0	112.8	M134 H135 V158 E159	Y132-M134 PolarHBondContact O-N 3.15Å; Y132-H135 WeakPolarHBondContact O-CB 3.23Å; Y132-H135 PolarHBondContact O-N 3.23Å; Y132-V158 HydrophobicContact CD1-CB 4.43Å; Y132-V158 HydrophobicContact CE1-CB 4.16Å; Y132-V158 HydrophobicContact CE1-CG1 4.39Å; Y132-E159 HydrophobicContact CD2-CB 3.81Å; Y132-E159 HydrophobicContact CD2-CG 4.15Å; Y132-E159 VanDerWaalsContact CD2-OE2 3.27Å; Y132-E159 WeakPolarHBondContact CD2-OE2 3.42Å; Y132-E159 HydrophobicContact CE2-CB 4.33Å; Y132-E159 HydrophobicContact CE2-CG 4.28Å; Y132-E159 HydrophobicContact CG-CB 4.13Å
133	R	90.6	Very high	90.9	Very high	156 Å²	156	59.8 Å²	59.8	59%	0.589	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63.5	-7	-179.2	-56.9	177.3	78.7	-178.9	7.6	114.3	D131 H135	D131-R133 PolarHBondContact O-N 3Å; D131-R133 WeakPolarHBondContact OD2-CD 3.43Å; D131-R133 WeakPolarHBondContact OD2-CG 3.42Å; R133-H135 PolarHBondContact O-N 2.91Å
134	M	90.6	Very high	91.3	Very high	20 Å²	20	60.4 Å²	60.4	10%	0.099	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-70.8	-14.6	168.4	-67.3	-54.3	-147.2	0	0	113.6	L63 L67 L130 D131 Y132 E136 K137 L138 F163	L63-M134 HydrophobicContact CD1-CE 3.78Å; L63-M134 HydrophobicContact CD2-CE 3.62Å; L63-M134 HydrophobicContact CG-CE 4.25Å; L67-M134 HydrophobicContact CD1-CE 4.05Å; L67-M134 HydrophobicContact CD1-SD 4.29Å; L130-M134 HydrophobicContact CB-CG 3.93Å; L130-M134 HydrophobicContact CD1-CE 4.15Å; L130-M134 HydrophobicContact CD1-CG 4.4Å; L130-M134 HydrophobicContact CD2-CE 4.22Å; D131-M134 PolarHBondContact O-N 2.86Å; D131-M134 VanDerWaalsContact O-N 3.1Å; Y132-M134 PolarHBondContact O-N 3.15Å; M134-E136 PolarHBondContact O-N 2.77Å; M134-K137 PolarHBondContact O-N 2.7Å; M134-K137 HydrophobicContact SD-CD 4.21Å; M134-L138 HydrophobicContact CB-CD1 3.94Å; M134-L138 HydrophobicContact CB-CG 4.27Å; M134-L138 PolarHBondContact O-N 3.37Å; M134-F163 HydrophobicContact CB-CD2 3.9Å; M134-F163 HydrophobicContact CB-CE2 4.21Å; M134-F163 HydrophobicContact CB-CG 4.29Å
135	H	89.8	Confident	92	Very high	67 Å²	67	60.6 Å²	60.6	31%	0.31	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-56.4	-35.3	175.8	178.4	37.3	0	0	0	113.5	Y132 R133 K137 R161 F163	Y132-H135 WeakPolarHBondContact O-CB 3.23Å; Y132-H135 PolarHBondContact O-N 3.23Å; R133-H135 PolarHBondContact O-N 2.91Å; H135-K137 PolarHBondContact O-N 3.36Å; H135-R161 VanDerWaalsContact CD2-CZ 3.47Å; H135-R161 PolarHBondContact CD2-NH1 2.87Å; H135-R161 VanDerWaalsContact CD2-NH1 3.31Å; H135-F163 HydrophobicContact CB-CE2 3.95Å; H135-F163 HydrophobicContact CB-CZ 3.93Å
136	E	91.6	Very high	92.4	Very high	156 Å²	156	57.8 Å²	57.8	73%	0.729	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-74.2	-13	177.8	-60.4	177.3	165.1	0	0	113.4	M134	M134-E136 PolarHBondContact O-N 2.77Å
137	K	92	Very high	92.9	Very high	110 Å²	110	56.3 Å²	56.3	48%	0.478	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-20.4	-168	-58.9	-176.1	-176.9	178.8	0	114.1	L67 Y70 M134 H135	L67-K137 HydrophobicContact CD1-CD 4.27Å; L67-K137 HydrophobicContact CD2-CB 4.39Å; Y70-K137 WeakPolarHBondContact CD1-O 3.45Å; Y70-K137 WeakPolarHBondContact CE1-O 3.41Å; M134-K137 PolarHBondContact O-N 2.7Å; M134-K137 HydrophobicContact SD-CD 4.21Å; H135-K137 PolarHBondContact O-N 3.36Å
138	L	94.3	Very high	93.1	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	27%	0.265	C	S	.	.	S	Bend	trans	-110.1	140.5	-179.8	-61.8	-178.8	0	0	0	109.9	L67 Y70 L119 M134 F163	L67-L138 HydrophobicContact CD2-CD2 3.79Å; Y70-L138 HydrophobicContact CE1-CD2 4.43Å; L119-L138 HydrophobicContact CD1-CD2 3.94Å; L119-L138 HydrophobicContact CD2-CD2 3.74Å; M134-L138 HydrophobicContact CB-CD1 3.94Å; M134-L138 HydrophobicContact CB-CG 4.27Å; M134-L138 PolarHBondContact O-N 3.37Å; L138-F163 HydrophobicContact CD1-CD1 3.95Å; L138-F163 HydrophobicContact CD1-CE1 4.33Å; L138-F163 HydrophobicContact CD1-CG 4.38Å
139	W	95.9	Very high	93.3	Very high	6 Å²	6	59.4 Å²	59.4	2%	0.023	29%	0.286	C	S	.	.			trans	-67.2	136.5	172.2	175.5	94.3	0	0	0	108.9	Y70 R75 P76 V83 W114 P141 Y206 I211	Y70-W139 HydrophobicContact CE1-CB 4.36Å; Y70-W139 WeakPolarHBondContact OH-CB 3.42Å; Y70-W139 PolarHBondContact OH-N 3.46Å; R75-W139 HydrophobicContact CB-CD2 4.48Å; R75-W139 HydrophobicContact CB-CH2 4.32Å; R75-W139 HydrophobicContact CB-CZ2 3.52Å; P76-W139 VanDerWaalsContact CD-CZ3 3.48Å; P76-W139 HydrophobicContact CG-CD2 4.49Å; P76-W139 HydrophobicContact CG-CE3 3.86Å; P76-W139 HydrophobicContact CG-CZ3 3.9Å; V83-W139 HydrophobicContact CG1-CH2 4.41Å; V83-W139 HydrophobicContact CG1-CZ3 4.45Å; W114-W139 HydrophobicContact CD2-CZ3 4.38Å; W114-W139 HydrophobicContact CG-CZ3 4.28Å; W114-W139 WeakPolarHBondContact CZ2-O 3.4Å; W114-W139 AromaticContact NE1-CE3 3.89Å; W114-W139 AromaticContact NE1-CZ3 3.98Å; W139-P141 HydrophobicContact CH2-CB 4.35Å; W139-P141 HydrophobicContact CH2-CG 3.8Å; W139-P141 HydrophobicContact CZ3-CG 3.67Å; W139-Y206 HydrophobicContact CZ2-CE2 4.13Å; W139-Y206 AromaticContact NE1-CZ 3.75Å; W139-Y206 PolarHBondContact NE1-OH 3.05Å; W139-I211 HydrophobicContact CH2-CD1 3.77Å; W139-I211 HydrophobicContact CH2-CG1 4.36Å; W139-I211 HydrophobicContact CZ2-CD1 3.81Å
140	V	95.8	Very high	93.5	Very high	28 Å²	28	59.7 Å²	59.7	17%	0.17	28%	0.283	C	S	.	.			trans	-131.3	135.9	178.8	-177.7	0	0	0	0	108.5	W114 F163 Y173	W114-V140 HydrophobicContact CH2-CB 4.41Å; W114-V140 HydrophobicContact CH2-CG1 4.22Å; W114-V140 HydrophobicContact CH2-CG2 4.22Å; V140-F163 HydrophobicContact CG2-CE1 3.95Å; V140-F163 HydrophobicContact CG2-CZ 4.13Å; V140-Y173 HydrophobicContact CG1-CD1 3.71Å; V140-Y173 HydrophobicContact CG1-CE1 3.66Å; V140-Y173 HydrophobicContact CG1-CG 4.46Å
141	P	96.2	Very high	93.7	Very high	6 Å²	6	61 Å²	61	4%	0.039	30%	0.298	C	S	.	.			trans	-56	136.2	172.6	-23.6	31	0	0	0	113	V85 Q112 W114 W139 C143 I211	V85-P141 HydrophobicContact CG1-CG 4.02Å; V85-P141 HydrophobicContact CG2-CB 4.41Å; V85-P141 HydrophobicContact CG2-CG 3.82Å; Q112-P141 VanDerWaalsContact OE1-CD 3.23Å; Q112-P141 VanDerWaalsContact OE1-CG 3.26Å; W114-P141 HydrophobicContact CD2-CG 4.28Å; W114-P141 HydrophobicContact CE3-CG 3.9Å; W114-P141 HydrophobicContact CZ3-CG 4.19Å; W139-P141 HydrophobicContact CH2-CB 4.35Å; W139-P141 HydrophobicContact CH2-CG 3.8Å; W139-P141 HydrophobicContact CZ3-CG 3.67Å; P141-C143 PolarHBondContact O-N 3.29Å; P141-I211 HydrophobicContact CB-CD1 4.25Å
142	D	94.8	Very high	94	Very high	49 Å²	49	61.7 Å²	61.7	26%	0.262	30%	0.296	S	S	.	.			trans	-80.7	43.1	-177.8	66.8	-8.8	0	0	0	113.2	Y144 S203 Y204 G205 Y206	D142-Y144 PolarHBondContact O-N 3.35Å; D142-S203 WeakPolarHBondContact OD1-CB 3.31Å; D142-S203 PolarHBondContact OD1-OG 2.85Å; D142-Y204 PolarHBondContact O-N 2.93Å; D142-Y204 PolarHBondContact OD1-N 3.4Å; D142-Y204 PolarHBondContact OD2-N 3.08Å; D142-G205 PolarHBondContact OD2-N 2.96Å; D142-Y206 WeakPolarHBondContact OD1-CD2 3.37Å
143	C	95.3	Very high	94.3	Very high	22 Å²	22	60.8 Å²	60.8	15%	0.149	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	120.5	180	-66.7	0	0	0	0	110.9	F110 P141 V201 E202	F110-C143 HydrophobicContact CE1-CB 3.98Å; F110-C143 HydrophobicContact CZ-CB 4.12Å; P141-C143 PolarHBondContact O-N 3.29Å; C143-V201 HydrophobicContact CB-CG1 4.35Å; C143-E202 CarbonylContact C-O 3.57Å; C143-E202 WeakPolarHBondContact CA-O 3.17Å
144	Y	95.3	Very high	94.5	Very high	67 Å²	67	54.9 Å²	54.9	26%	0.263	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.3	176.5	80	-74.6	0	0	0	111.7	D142 L146 V201 E202 S203 Y204	D142-Y144 PolarHBondContact O-N 3.35Å; Y144-L146 HydrophobicContact CE2-CB 4.11Å; Y144-L146 HydrophobicContact CE2-CD1 3.87Å; Y144-V201 WeakPolarHBondContact O-CA 3.07Å; Y144-E202 HydrophobicContact CD1-CB 4.35Å; Y144-E202 WeakPolarHBondContact CD1-O 3.37Å; Y144-E202 HydrophobicContact CE1-CB 3.77Å; Y144-E202 HydrophobicContact CE1-CG 4.09Å; Y144-E202 PolarHBondContact N-O 2.95Å; Y144-E202 PolarHBondContact O-N 2.04Å; Y144-E202 VanDerWaalsContact O-N 3.14Å; Y144-S203 WeakPolarHBondContact CE1-O 3.25Å; Y144-Y204 HydrophobicContact CD1-CD2 4.12Å; Y144-Y204 HydrophobicContact CD1-CG 4.46Å; Y144-Y204 HydrophobicContact CE1-CD2 4.08Å; Y144-Y204 HydrophobicContact CG-CD2 4.4Å
145	F	96.8	Very high	94.6	Very high	27 Å²	27	59.2 Å²	59.2	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	100.9	179	-62.4	-76.8	0	0	0	110	M108 F110 N147 S148 L177 L199 V200 V201	M108-F145 HydrophobicContact CE-CD1 4.35Å; M108-F145 HydrophobicContact CE-CE1 3.52Å; M108-F145 HydrophobicContact CE-CE2 4.21Å; M108-F145 HydrophobicContact CE-CZ 3.45Å; M108-F145 VanDerWaalsContact CE-CZ 3.45Å; F110-F145 HydrophobicContact CD2-CE1 4.18Å; F110-F145 AromaticContact CD2-CZ 3.82Å; F110-F145 HydrophobicContact CD2-CZ 3.82Å; F110-F145 HydrophobicContact CE2-CE1 4.1Å; F110-F145 HydrophobicContact CE2-CZ 4.02Å; F110-F145 HydrophobicContact CG-CZ 4.09Å; F110-F145 HydrophobicContact CZ-CZ 4.44Å; F145-N147 PolarHBondContact O-N 2.54Å; F145-N147 VanDerWaalsContact O-N 3.1Å; F145-S148 VanDerWaalsContact O-CB 3.31Å; F145-S148 WeakPolarHBondContact O-CB 3.16Å; F145-S148 PolarHBondContact O-N 3.19Å; F145-L177 HydrophobicContact CE2-CD1 3.92Å; F145-L177 HydrophobicContact CE2-CD2 3.72Å; F145-L177 HydrophobicContact CE2-CG 4.49Å; F145-L177 HydrophobicContact CZ-CD1 4.28Å; F145-L177 HydrophobicContact CZ-CD2 4.09Å; F145-L199 HydrophobicContact CD1-CD1 3.77Å; F145-L199 HydrophobicContact CD1-CD2 4.49Å; F145-L199 HydrophobicContact CD1-CG 4.18Å; F145-L199 HydrophobicContact CE1-CD1 4.32Å; F145-L199 HydrophobicContact CE1-CD2 4.27Å; F145-L199 HydrophobicContact CE1-CG 4.44Å; F145-V200 CarbonylContact C-O 3.59Å; F145-V200 VanDerWaalsContact CA-O 3.25Å; F145-V200 WeakPolarHBondContact CA-O 3.29Å; F145-V201 HydrophobicContact CD1-CG2 3.82Å; F145-V201 HydrophobicContact CE1-CG2 3.66Å
146	L	94.4	Very high	94.6	Very high	75 Å²	75	61.3 Å²	61.3	39%	0.393	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.5	-170	177	65	0	0	0	113.8	Y144 V200	Y144-L146 HydrophobicContact CE2-CB 4.11Å; Y144-L146 HydrophobicContact CE2-CD1 3.87Å; L146-V200 HydrophobicContact CB-CB 4.12Å; L146-V200 HydrophobicContact CB-CG1 3.8Å; L146-V200 HydrophobicContact CD2-CG1 4.03Å; L146-V200 PolarHBondContact N-O 2.78Å; L146-V200 VanDerWaalsContact N-O 3.12Å
147	N	95.6	Very high	94.6	Very high	29 Å²	29	60.4 Å²	60.4	16%	0.155	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	11.7	179.4	69.7	-54.2	0	0	0	114.3	F145 K149 A181 A182 N198 V200	F145-N147 PolarHBondContact O-N 2.54Å; F145-N147 VanDerWaalsContact O-N 3.1Å; N147-K149 PolarHBondContact O-N 2.76Å; N147-A181 CarbonylContact O-C 3.58Å; N147-A181 WeakPolarHBondContact O-CA 3.47Å; N147-A182 PolarHBondContact ND2-O 3.18Å; N147-A182 PolarHBondContact O-N 3.05Å; N147-N198 PolarHBondContact ND2-O 3.01Å; N147-V200 PolarHBondContact OD1-N 2.81Å; N147-V200 VanDerWaalsContact OD1-N 3.1Å
148	S	95.9	Very high	94.7	Very high	37 Å²	37	58.7 Å²	58.7	26%	0.259	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.3	172.9	178.2	0	0	0	0	110.9	F145 D150 T179	F145-S148 VanDerWaalsContact O-CB 3.31Å; F145-S148 WeakPolarHBondContact O-CB 3.16Å; F145-S148 PolarHBondContact O-N 3.19Å; S148-D150 PolarHBondContact OG-O 2.89Å; S148-D150 VanDerWaalsContact OG-O 3.08Å; S148-T179 VanDerWaalsContact CB-OG1 3.32Å; S148-T179 WeakPolarHBondContact CB-OG1 3.49Å; S148-T179 PolarHBondContact OG-OG1 3.07Å
149	K	94.9	Very high	94.5	Very high	115 Å²	115	61.6 Å²	61.6	50%	0.5	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-38.6	167.8	-62.6	-176.3	-178.4	179.3	0	111.5	N101 D103 N147 T180 A182	N101-K149 PolarHBondContact O-NZ 2.87Å; D103-K149 HydrophobicContact CB-CD 4.21Å; D103-K149 WeakPolarHBondContact OD2-CD 3.38Å; D103-K149 WeakPolarHBondContact OD2-CE 3.38Å; D103-K149 IonicContact OD2-NZ 3.14Å; D103-K149 PolarHBondContact OD2-NZ 2.94Å; N147-K149 PolarHBondContact O-N 2.76Å; K149-T180 PolarHBondContact N-O 3.14Å; K149-A182 HydrophobicContact CG-CB 4.29Å
150	D	94.9	Very high	94.4	Very high	98 Å²	98	63.9 Å²	63.9	52%	0.524	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	145.7	-180	-180	32.7	0	0	0	109.1	S148 T179 T180	S148-D150 PolarHBondContact OG-O 2.89Å; S148-D150 VanDerWaalsContact OG-O 3.08Å; D150-T179 CarbonylContact O-C 3.55Å; D150-T179 WeakPolarHBondContact O-CA 3.21Å; D150-T179 PolarHBondContact O-OG1 2.92Å; D150-T180 PolarHBondContact O-N 2.8Å
151	A	95.2	Very high	94.3	Very high	50 Å²	50	64.9 Å²	64.9	41%	0.413	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	136.2	177.4	0	0	0	0	0	111.8	T178	A151-T178 CarbonylContact C-O 3.34Å; A151-T178 VanDerWaalsContact CA-O 3.24Å; A151-T178 WeakPolarHBondContact CA-O 3.47Å
152	F	95.1	Very high	94.2	Very high	105 Å²	105	67.8 Å²	67.8	46%	0.461	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.5	176.9	64.6	-91.7	0	0	0	112.1	H154 L177 T178	F152-H154 AromaticContact CE2-CE1 3.99Å; F152-H154 AromaticContact CE2-NE2 3.64Å; F152-L177 VanDerWaalsContact O-CA 3.29Å; F152-L177 WeakPolarHBondContact O-CA 3.36Å; F152-L177 WeakPolarHBondContact O-CB 3.43Å; F152-T178 HydrophobicContact CE1-CG2 3.72Å; F152-T178 VanDerWaalsContact CZ-CB 3.44Å; F152-T178 HydrophobicContact CZ-CG2 3.79Å; F152-T178 PolarHBondContact N-O 3.07Å; F152-T178 PolarHBondContact O-N 2.86Å
153	V	95.4	Very high	94.2	Very high	46 Å²	46	65.5 Å²	65.5	28%	0.279	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	139.4	171.8	-178.1	0	0	0	0	107.8	D155 I175	V153-D155 PolarHBondContact O-N 3.25Å; V153-I175 HydrophobicContact CB-CD1 4.34Å; V153-I175 HydrophobicContact CG1-CD1 3.76Å; V153-I175 HydrophobicContact CG1-CG1 3.83Å; V153-I175 HydrophobicContact CG2-CD1 3.59Å; V153-I175 HydrophobicContact CG2-CG1 4.37Å
154	H	94.1	Very high	94.2	Very high	32 Å²	32	66.9 Å²	66.9	15%	0.148	36%	0.358	C	S	.	.			trans	-74	122.2	178.2	-71.7	-116.2	0	0	0	109.6	F152 N160 R176 T178	F152-H154 AromaticContact CE2-CE1 3.99Å; F152-H154 AromaticContact CE2-NE2 3.64Å; H154-N160 HydrophobicContact CB-CB 4.14Å; H154-N160 WeakPolarHBondContact O-CB 3.17Å; H154-N160 PolarHBondContact O-N 2.77Å; H154-N160 PolarHBondContact O-ND2 2.96Å; H154-R176 HydrophobicContact CB-CB 4.45Å; H154-R176 HydrophobicContact CB-CG 4.29Å; H154-R176 PolarHBondContact N-O 2.98Å; H154-R176 VanDerWaalsContact N-O 3.07Å; H154-R176 PolarHBondContact ND1-NE 2.81Å; H154-T178 PolarHBondContact NE2-OG1 3.2Å
155	D	92.4	Very high	94.1	Very high	111 Å²	111	63.9 Å²	63.9	59%	0.594	35%	0.346	S	S	*	.			trans	-111.6	-4	-172	67.6	-27.8	0	0	0	114.6	V153 T157 V158	V153-D155 PolarHBondContact O-N 3.25Å; D155-T157 CarbonylContact O-C 3.53Å; D155-V158 CarbonylContact C-O 3.57Å; D155-V158 CarbonylContact O-C 3.54Å; D155-V158 VanDerWaalsContact O-CA 3.23Å; D155-V158 WeakPolarHBondContact O-CA 3.43Å; D155-V158 PolarHBondContact O-N 2.92Å; D155-V158 VanDerWaalsContact O-N 3.1Å; D155-V158 VanDerWaalsContact O-O 3.13Å
156	V	91.1	Very high	94	Very high	111 Å²	111	63.8 Å²	63.8	67%	0.673	35%	0.346	S	S	*	.	S	Bend	trans	-95.5	130.7	178.4	-177.4	0	0	0	0	110.7	V158 N160	V156-V158 VanDerWaalsContact C-N 3.33Å; V156-N160 PolarHBondContact O-ND2 3.38Å; V156-N160 VanDerWaalsContact O-ND2 3.13Å
157	T	92.1	Very high	93.9	Very high	137 Å²	137	62 Å²	62	84%	0.84	34%	0.339	S	S	*	.	S	Bend	cis	-81.2	-8.7	-10.5	50.4	0	0	0	0	113.7	D155	D155-T157 CarbonylContact O-C 3.53Å
158	V	92.8	Very high	93.8	Very high	75 Å²	75	63.9 Å²	63.9	46%	0.455	35%	0.349	S	S	.	.	S	Bend	trans	-141.7	168.3	169.7	-65.9	0	0	0	0	108.3	Y132 D155 V156 N160	Y132-V158 HydrophobicContact CD1-CB 4.43Å; Y132-V158 HydrophobicContact CE1-CB 4.16Å; Y132-V158 HydrophobicContact CE1-CG1 4.39Å; D155-V158 CarbonylContact C-O 3.57Å; D155-V158 CarbonylContact O-C 3.54Å; D155-V158 VanDerWaalsContact O-CA 3.23Å; D155-V158 WeakPolarHBondContact O-CA 3.43Å; D155-V158 PolarHBondContact O-N 2.92Å; D155-V158 VanDerWaalsContact O-N 3.1Å; D155-V158 VanDerWaalsContact O-O 3.13Å; V156-V158 VanDerWaalsContact C-N 3.33Å; V158-N160 PolarHBondContact O-N 2.94Å; V158-N160 VanDerWaalsContact O-N 3.12Å; V158-N160 PolarHBondContact O-ND2 2.97Å; V158-N160 VanDerWaalsContact O-ND2 3.1Å
159	E	91.1	Very high	93.7	Very high	67 Å²	67	62.1 Å²	62.1	31%	0.313	34%	0.337	S	S	.	.			trans	-53.5	120.6	171.8	-65.9	-167.7	144.1	0	0	111.2	Y132 R161	Y132-E159 HydrophobicContact CD2-CB 3.81Å; Y132-E159 HydrophobicContact CD2-CG 4.15Å; Y132-E159 VanDerWaalsContact CD2-OE2 3.27Å; Y132-E159 WeakPolarHBondContact CD2-OE2 3.42Å; Y132-E159 HydrophobicContact CE2-CB 4.33Å; Y132-E159 HydrophobicContact CE2-CG 4.28Å; Y132-E159 HydrophobicContact CG-CB 4.13Å; E159-R161 PolarHBondContact O-N 2.83Å; E159-R161 IonicContact OE1-CZ 3.74Å; E159-R161 IonicContact OE1-NH1 2.87Å; E159-R161 PolarHBondContact OE1-NH1 2.9Å; E159-R161 IonicContact OE2-CZ 3.76Å; E159-R161 IonicContact OE2-NE 2.77Å; E159-R161 IonicContact OE2-NH1 2.9Å; E159-R161 PolarHBondContact OE2-NH1 2.97Å
160	N	92.9	Very high	93.7	Very high	54 Å²	54	57.6 Å²	57.6	29%	0.289	32%	0.319	S	S	.	.			trans	-79.4	63.2	-178.4	-73.7	-98.8	0	0	0	110.3	H154 V156 V158 I175 R176	H154-N160 HydrophobicContact CB-CB 4.14Å; H154-N160 WeakPolarHBondContact O-CB 3.17Å; H154-N160 PolarHBondContact O-N 2.77Å; H154-N160 PolarHBondContact O-ND2 2.96Å; V156-N160 PolarHBondContact O-ND2 3.38Å; V156-N160 VanDerWaalsContact O-ND2 3.13Å; V158-N160 PolarHBondContact O-N 2.94Å; V158-N160 VanDerWaalsContact O-N 3.12Å; V158-N160 PolarHBondContact O-ND2 2.97Å; V158-N160 VanDerWaalsContact O-ND2 3.1Å; N160-I175 WeakPolarHBondContact O-CA 3.13Å; N160-R176 HydrophobicContact CB-CB 3.72Å; N160-R176 PolarHBondContact O-N 2.99Å
161	R	94.7	Very high	93.7	Very high	49 Å²	49	53 Å²	53	19%	0.185	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.8	175.2	-70.8	167	166.4	158.2	-3.7	108.6	H135 E159 Y173 G174 I175	H135-R161 VanDerWaalsContact CD2-CZ 3.47Å; H135-R161 PolarHBondContact CD2-NH1 2.87Å; H135-R161 VanDerWaalsContact CD2-NH1 3.31Å; E159-R161 PolarHBondContact O-N 2.83Å; E159-R161 IonicContact OE1-CZ 3.74Å; E159-R161 IonicContact OE1-NH1 2.87Å; E159-R161 PolarHBondContact OE1-NH1 2.9Å; E159-R161 IonicContact OE2-CZ 3.76Å; E159-R161 IonicContact OE2-NE 2.77Å; E159-R161 IonicContact OE2-NH1 2.9Å; E159-R161 PolarHBondContact OE2-NH1 2.97Å; R161-Y173 HydrophobicContact CB-CE2 4.21Å; R161-Y173 HydrophobicContact CG-CE2 4.27Å; R161-Y173 PolarHBondContact NE-OH 2.84Å; R161-G174 CarbonylContact C-O 3.52Å; R161-G174 WeakPolarHBondContact CA-O 3.19Å; R161-I175 HydrophobicContact CG-CB 4.29Å; R161-I175 HydrophobicContact CG-CD1 3.87Å; R161-I175 HydrophobicContact CG-CG1 3.82Å
162	V	94.1	Very high	93.7	Very high	68 Å²	68	56.3 Å²	56.3	41%	0.412	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.1	177.1	62.3	0	0	0	0	110.6	T129 Y173 G174	T129-V162 HydrophobicContact CG2-CG2 3.77Å; V162-Y173 WeakPolarHBondContact O-CA 3.43Å; V162-G174 PolarHBondContact N-O 2.88Å; V162-G174 PolarHBondContact O-N 3.35Å
163	F	94.6	Very high	93.7	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.9	170.9	-68.4	-90.6	0	0	0	108.9	T129 L130 M134 H135 L138 V140 V171 R172 Y173	T129-F163 CarbonylContact C-O 3.58Å; T129-F163 WeakPolarHBondContact CA-O 3.5Å; L130-F163 HydrophobicContact CB-CB 4.2Å; L130-F163 PolarHBondContact N-O 2.9Å; L130-F163 PolarHBondContact O-N 2.83Å; M134-F163 HydrophobicContact CB-CD2 3.9Å; M134-F163 HydrophobicContact CB-CE2 4.21Å; M134-F163 HydrophobicContact CB-CG 4.29Å; H135-F163 HydrophobicContact CB-CE2 3.95Å; H135-F163 HydrophobicContact CB-CZ 3.93Å; L138-F163 HydrophobicContact CD1-CD1 3.95Å; L138-F163 HydrophobicContact CD1-CE1 4.33Å; L138-F163 HydrophobicContact CD1-CG 4.38Å; V140-F163 HydrophobicContact CG2-CE1 3.95Å; V140-F163 HydrophobicContact CG2-CZ 4.13Å; F163-V171 HydrophobicContact CD1-CG1 4.33Å; F163-R172 WeakPolarHBondContact CA-O 3.17Å; F163-Y173 AromaticContact CD1-CD2 3.81Å; F163-Y173 HydrophobicContact CD1-CD2 3.81Å; F163-Y173 HydrophobicContact CD1-CG 4.45Å; F163-Y173 HydrophobicContact CD2-CD2 4.28Å; F163-Y173 HydrophobicContact CD2-CE2 4.49Å; F163-Y173 AromaticContact CE1-CD2 3.34Å; F163-Y173 HydrophobicContact CE1-CD2 3.34Å; F163-Y173 AromaticContact CE1-CE2 3.84Å; F163-Y173 HydrophobicContact CE1-CE2 3.84Å; F163-Y173 AromaticContact CE1-CG 3.98Å; F163-Y173 HydrophobicContact CE1-CG 3.98Å; F163-Y173 AromaticContact CE2-CD2 3.86Å; F163-Y173 HydrophobicContact CE2-CD2 3.86Å; F163-Y173 AromaticContact CE2-CE2 3.72Å; F163-Y173 HydrophobicContact CE2-CE2 3.72Å; F163-Y173 HydrophobicContact CG-CD2 4.25Å; F163-Y173 AromaticContact CZ-CD2 3.36Å; F163-Y173 HydrophobicContact CZ-CD2 3.36Å; F163-Y173 AromaticContact CZ-CE2 3.33Å; F163-Y173 HydrophobicContact CZ-CE2 3.33Å; F163-Y173 HydrophobicContact CZ-CG 4.33Å
164	Q	94.2	Very high	93.7	Very high	50 Å²	50	49.9 Å²	49.9	23%	0.234	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.6	169.3	173.5	176.2	93.1	0	0	108.5	N127 L128 H166 R172	N127-Q164 HydrophobicContact CB-CG 4.13Å; L128-Q164 WeakPolarHBondContact O-CA 3.32Å; Q164-H166 PolarHBondContact OE1-CE1 3.26Å; Q164-H166 PolarHBondContact OE1-NE2 2.83Å; Q164-R172 HydrophobicContact CB-CB 4.26Å; Q164-R172 PolarHBondContact N-O 3.26Å; Q164-R172 PolarHBondContact O-N 3.31Å
165	L	93.8	Very high	93.8	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.9	178.9	-172.9	68.3	0	0	0	109.7	L119 Y121 N127 L128 L130 V171	L119-L165 HydrophobicContact CB-CD1 3.65Å; L119-L165 HydrophobicContact CB-CD2 4.23Å; L119-L165 HydrophobicContact CD1-CD1 4.03Å; L119-L165 HydrophobicContact CG-CD1 4.48Å; Y121-L165 HydrophobicContact CD1-CD2 4.08Å; Y121-L165 HydrophobicContact CD1-CG 4.48Å; Y121-L165 HydrophobicContact CE1-CD2 3.83Å; Y121-L165 HydrophobicContact CE1-CG 3.87Å; Y121-L165 PolarHBondContact OH-O 3.29Å; N127-L165 CarbonylContact C-O 3.59Å; N127-L165 WeakPolarHBondContact CA-O 3.33Å; L128-L165 PolarHBondContact N-O 3.02Å; L128-L165 PolarHBondContact O-N 3.44Å; L130-L165 HydrophobicContact CD1-CB 4.22Å; L165-V171 HydrophobicContact CD1-CG2 3.79Å
166	H	94.3	Very high	94	Very high	24 Å²	24	47.3 Å²	47.3	11%	0.111	25%	0.247	C	C	.	.			trans	-98	151.2	177.3	-65.1	-99.7	0	0	0	110	N127 Q164 D168 G169 T170 R172	N127-H166 VanDerWaalsContact CG-ND1 3.33Å; N127-H166 PolarHBondContact ND2-CE1 2.89Å; N127-H166 VanDerWaalsContact ND2-CE1 3.32Å; N127-H166 PolarHBondContact ND2-ND1 3.02Å; N127-H166 PolarHBondContact OD1-ND1 3.1Å; N127-H166 VanDerWaalsContact OD1-ND1 3.16Å; Q164-H166 PolarHBondContact OE1-CE1 3.26Å; Q164-H166 PolarHBondContact OE1-NE2 2.83Å; H166-D168 VanDerWaalsContact CB-OD1 3.26Å; H166-D168 WeakPolarHBondContact CB-OD1 3.36Å; H166-D168 PolarHBondContact O-N 3.29Å; H166-D168 VanDerWaalsContact O-N 3.11Å; H166-G169 PolarHBondContact O-N 3.42Å; H166-T170 WeakPolarHBondContact CB-O 3.21Å; H166-T170 PolarHBondContact CD2-O 2.99Å; H166-T170 PolarHBondContact N-O 3.03Å; H166-R172 PolarHBondContact CE1-NH1 2.84Å; H166-R172 WeakPolarHBondContact NE2-CD 3.33Å; H166-R172 PolarHBondContact NE2-NE 3.33Å
167	P	92.3	Very high	94.2	Very high	38 Å²	38	42.6 Å²	42.6	25%	0.247	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.4	-176.2	22.1	-33.4	0	0	0	113.9	A120 Y121 G169	A120-P167 WeakPolarHBondContact CA-O 3.18Å; Y121-P167 HydrophobicContact CD2-CB 3.99Å; Y121-P167 HydrophobicContact CE2-CB 3.64Å; Y121-P167 PolarHBondContact N-O 3.48Å; P167-G169 PolarHBondContact O-N 2.85Å
168	D	94	Very high	94.4	Very high	69 Å²	69	36.1 Å²	36.1	37%	0.369	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.2	178	83.4	-50	0	0	0	114.2	K115 H166 T170	K115-D168 WeakPolarHBondContact CE-O 3.44Å; K115-D168 PolarHBondContact NZ-O 2.87Å; K115-D168 IonicContact NZ-OD2 2.67Å; K115-D168 PolarHBondContact NZ-OD2 2.84Å; H166-D168 VanDerWaalsContact CB-OD1 3.26Å; H166-D168 WeakPolarHBondContact CB-OD1 3.36Å; H166-D168 PolarHBondContact O-N 3.29Å; H166-D168 VanDerWaalsContact O-N 3.11Å; D168-T170 VanDerWaalsContact CG-OG1 3.31Å; D168-T170 WeakPolarHBondContact OD1-CB 3.32Å; D168-T170 PolarHBondContact OD1-N 3.12Å; D168-T170 PolarHBondContact OD1-OG1 3.24Å; D168-T170 VanDerWaalsContact OD1-OG1 3.11Å; D168-T170 PolarHBondContact OD2-OG1 3.33Å
169	G	93	Very high	94.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	86.2	6.3	-173.1	0	0	0	0	0	114.4	D116 H166 P167 V171	D116-G169 PolarHBondContact N-O 3.17Å; H166-G169 PolarHBondContact O-N 3.42Å; P167-G169 PolarHBondContact O-N 2.85Å; G169-V171 PolarHBondContact O-N 3.1Å
170	T	95.2	Very high	94.8	Very high	19 Å²	19	30.7 Å²	30.7	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.2	171.3	-64.9	0	0	0	0	110	T113 W114 H166 D168	T113-T170 HydrophobicContact CG2-CG2 3.69Å; W114-T170 CarbonylContact O-C 3.56Å; W114-T170 WeakPolarHBondContact O-CA 3.28Å; H166-T170 WeakPolarHBondContact CB-O 3.21Å; H166-T170 PolarHBondContact CD2-O 2.99Å; H166-T170 PolarHBondContact N-O 3.03Å; D168-T170 VanDerWaalsContact CG-OG1 3.31Å; D168-T170 WeakPolarHBondContact OD1-CB 3.32Å; D168-T170 PolarHBondContact OD1-N 3.12Å; D168-T170 PolarHBondContact OD1-OG1 3.24Å; D168-T170 VanDerWaalsContact OD1-OG1 3.11Å; D168-T170 PolarHBondContact OD2-OG1 3.33Å
171	V	95.9	Very high	95	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.1	172.6	-169.3	0	0	0	0	108.4	T113 W114 D116 L119 F163 L165 G169	T113-V171 WeakPolarHBondContact CA-O 3.45Å; W114-V171 HydrophobicContact CD2-CB 4.09Å; W114-V171 HydrophobicContact CH2-CB 4.31Å; W114-V171 HydrophobicContact CH2-CG1 3.84Å; W114-V171 HydrophobicContact CZ2-CB 3.73Å; W114-V171 HydrophobicContact CZ2-CG1 3.55Å; W114-V171 HydrophobicContact CZ2-CG2 4.09Å; W114-V171 HydrophobicContact CZ3-CG1 4.5Å; W114-V171 PolarHBondContact N-O 2.96Å; W114-V171 VanDerWaalsContact N-O 3.08Å; W114-V171 PolarHBondContact O-N 3.07Å; D116-V171 HydrophobicContact CB-CG2 4.47Å; L119-V171 HydrophobicContact CD1-CG2 3.56Å; F163-V171 HydrophobicContact CD1-CG1 4.33Å; L165-V171 HydrophobicContact CD1-CG2 3.79Å; G169-V171 PolarHBondContact O-N 3.1Å
172	R	94.9	Very high	95.1	Very high	120 Å²	120	27.6 Å²	27.6	45%	0.453	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126	161.2	-60.8	-177.1	174.1	159.5	-11.1	108.6	Q112 T113 F163 Q164 H166	Q112-R172 WeakPolarHBondContact O-CA 3.38Å; T113-R172 HydrophobicContact CG2-CG 4.12Å; F163-R172 WeakPolarHBondContact CA-O 3.17Å; Q164-R172 HydrophobicContact CB-CB 4.26Å; Q164-R172 PolarHBondContact N-O 3.26Å; Q164-R172 PolarHBondContact O-N 3.31Å; H166-R172 PolarHBondContact CE1-NH1 2.84Å; H166-R172 WeakPolarHBondContact NE2-CD 3.33Å; H166-R172 PolarHBondContact NE2-NE 3.33Å
173	Y	95.9	Very high	95.1	Very high	10 Å²	10	24.7 Å²	24.7	4%	0.039	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.5	173.6	174.3	-125.9	0	0	0	108.6	H111 Q112 W114 V140 R161 V162 F163 I175	H111-Y173 CarbonylContact C-O 3.55Å; H111-Y173 WeakPolarHBondContact CA-O 3.1Å; Q112-Y173 HydrophobicContact CG-CD1 4.31Å; Q112-Y173 PolarHBondContact N-O 3.11Å; Q112-Y173 PolarHBondContact O-N 2.89Å; W114-Y173 HydrophobicContact CH2-CG 4.45Å; V140-Y173 HydrophobicContact CG1-CD1 3.71Å; V140-Y173 HydrophobicContact CG1-CE1 3.66Å; V140-Y173 HydrophobicContact CG1-CG 4.46Å; R161-Y173 HydrophobicContact CB-CE2 4.21Å; R161-Y173 HydrophobicContact CG-CE2 4.27Å; R161-Y173 PolarHBondContact NE-OH 2.84Å; V162-Y173 WeakPolarHBondContact O-CA 3.43Å; F163-Y173 AromaticContact CD1-CD2 3.81Å; F163-Y173 HydrophobicContact CD1-CD2 3.81Å; F163-Y173 HydrophobicContact CD1-CG 4.45Å; F163-Y173 HydrophobicContact CD2-CD2 4.28Å; F163-Y173 HydrophobicContact CD2-CE2 4.49Å; F163-Y173 AromaticContact CE1-CD2 3.34Å; F163-Y173 HydrophobicContact CE1-CD2 3.34Å; F163-Y173 AromaticContact CE1-CE2 3.84Å; F163-Y173 HydrophobicContact CE1-CE2 3.84Å; F163-Y173 AromaticContact CE1-CG 3.98Å; F163-Y173 HydrophobicContact CE1-CG 3.98Å; F163-Y173 AromaticContact CE2-CD2 3.86Å; F163-Y173 HydrophobicContact CE2-CD2 3.86Å; F163-Y173 AromaticContact CE2-CE2 3.72Å; F163-Y173 HydrophobicContact CE2-CE2 3.72Å; F163-Y173 HydrophobicContact CG-CD2 4.25Å; F163-Y173 AromaticContact CZ-CD2 3.36Å; F163-Y173 HydrophobicContact CZ-CD2 3.36Å; F163-Y173 AromaticContact CZ-CE2 3.33Å; F163-Y173 HydrophobicContact CZ-CE2 3.33Å; F163-Y173 HydrophobicContact CZ-CG 4.33Å; Y173-I175 HydrophobicContact CE1-CB 4.39Å; Y173-I175 HydrophobicContact CE1-CG2 4.2Å
174	G	95.4	Very high	95	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.7	173.4	0	0	0	0	0	110.8	R161 V162	R161-G174 CarbonylContact C-O 3.52Å; R161-G174 WeakPolarHBondContact CA-O 3.19Å; V162-G174 PolarHBondContact N-O 2.88Å; V162-G174 PolarHBondContact O-N 3.35Å
175	I	95.6	Very high	94.8	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.067	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.5	176.3	-175.6	171.7	0	0	0	110.6	F109 F110 V153 N160 R161 Y173 L177	F109-I175 CarbonylContact C-O 3.58Å; F109-I175 WeakPolarHBondContact CA-O 3.25Å; F110-I175 HydrophobicContact CB-CG2 3.98Å; F110-I175 HydrophobicContact CD1-CG2 4.3Å; F110-I175 PolarHBondContact N-O 2.9Å; F110-I175 PolarHBondContact O-N 2.97Å; V153-I175 HydrophobicContact CB-CD1 4.34Å; V153-I175 HydrophobicContact CG1-CD1 3.76Å; V153-I175 HydrophobicContact CG1-CG1 3.83Å; V153-I175 HydrophobicContact CG2-CD1 3.59Å; V153-I175 HydrophobicContact CG2-CG1 4.37Å; N160-I175 WeakPolarHBondContact O-CA 3.13Å; R161-I175 HydrophobicContact CG-CB 4.29Å; R161-I175 HydrophobicContact CG-CD1 3.87Å; R161-I175 HydrophobicContact CG-CG1 3.82Å; Y173-I175 HydrophobicContact CE1-CB 4.39Å; Y173-I175 HydrophobicContact CE1-CG2 4.2Å; I175-L177 HydrophobicContact CG2-CD2 4.18Å
176	R	95.7	Very high	94.7	Very high	76 Å²	76	32.5 Å²	32.5	29%	0.287	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.1	171.6	-171.4	-173.9	170.2	-168.9	-3.4	109.8	F109 H154 N160	F109-R176 HydrophobicContact CD1-CB 3.68Å; F109-R176 HydrophobicContact CD1-CG 3.99Å; F109-R176 HydrophobicContact CE1-CB 3.68Å; F109-R176 HydrophobicContact CE1-CG 3.74Å; F109-R176 HydrophobicContact CZ-CG 4.11Å; H154-R176 HydrophobicContact CB-CB 4.45Å; H154-R176 HydrophobicContact CB-CG 4.29Å; H154-R176 PolarHBondContact N-O 2.98Å; H154-R176 VanDerWaalsContact N-O 3.07Å; H154-R176 PolarHBondContact ND1-NE 2.81Å; N160-R176 HydrophobicContact CB-CB 3.72Å; N160-R176 PolarHBondContact O-N 2.99Å
177	L	95.4	Very high	94.5	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.068	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.4	179.6	71.1	89.6	0	0	0	112	M108 F110 F145 F152 I175 T179	M108-L177 HydrophobicContact CE-CD1 3.56Å; M108-L177 HydrophobicContact CE-CG 4.32Å; M108-L177 HydrophobicContact CG-CD1 4.47Å; M108-L177 PolarHBondContact N-O 2.66Å; M108-L177 PolarHBondContact O-N 3.44Å; M108-L177 VanDerWaalsContact O-O 3.07Å; F110-L177 HydrophobicContact CB-CD2 4.12Å; F145-L177 HydrophobicContact CE2-CD1 3.92Å; F145-L177 HydrophobicContact CE2-CD2 3.72Å; F145-L177 HydrophobicContact CE2-CG 4.49Å; F145-L177 HydrophobicContact CZ-CD1 4.28Å; F145-L177 HydrophobicContact CZ-CD2 4.09Å; F152-L177 VanDerWaalsContact O-CA 3.29Å; F152-L177 WeakPolarHBondContact O-CA 3.36Å; F152-L177 WeakPolarHBondContact O-CB 3.43Å; I175-L177 HydrophobicContact CG2-CD2 4.18Å; L177-T179 HydrophobicContact CD1-CG2 4.05Å
178	T	96.4	Very high	94.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.7	168.4	-61.8	0	0	0	0	107.9	T105 I106 T107 A151 F152 H154	T105-T178 HydrophobicContact CG2-CG2 3.46Å; T105-T178 VanDerWaalsContact CG2-CG2 3.46Å; I106-T178 WeakPolarHBondContact O-CA 3.04Å; T107-T178 WeakPolarHBondContact OG1-CB 3.31Å; T107-T178 VanDerWaalsContact OG1-CG2 3.32Å; T107-T178 WeakPolarHBondContact OG1-CG2 3.4Å; T107-T178 PolarHBondContact OG1-OG1 2.95Å; A151-T178 CarbonylContact C-O 3.34Å; A151-T178 VanDerWaalsContact CA-O 3.24Å; A151-T178 WeakPolarHBondContact CA-O 3.47Å; F152-T178 HydrophobicContact CE1-CG2 3.72Å; F152-T178 VanDerWaalsContact CZ-CB 3.44Å; F152-T178 HydrophobicContact CZ-CG2 3.79Å; F152-T178 PolarHBondContact N-O 3.07Å; F152-T178 PolarHBondContact O-N 2.86Å; H154-T178 PolarHBondContact NE2-OG1 3.2Å
179	T	96.2	Very high	94.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136	175.4	174	0	0	0	0	110.1	T105 I106 M108 S148 D150 L177 L199	T105-T179 WeakPolarHBondContact CA-O 3.44Å; I106-T179 HydrophobicContact CG2-CG2 3.66Å; I106-T179 PolarHBondContact N-O 3.24Å; I106-T179 PolarHBondContact O-N 2.92Å; M108-T179 HydrophobicContact CE-CG2 3.82Å; S148-T179 VanDerWaalsContact CB-OG1 3.32Å; S148-T179 WeakPolarHBondContact CB-OG1 3.49Å; S148-T179 PolarHBondContact OG-OG1 3.07Å; D150-T179 CarbonylContact O-C 3.55Å; D150-T179 WeakPolarHBondContact O-CA 3.21Å; D150-T179 PolarHBondContact O-OG1 2.92Å; L177-T179 HydrophobicContact CD1-CG2 4.05Å; T179-L199 HydrophobicContact CG2-CD1 4.23Å
180	T	96.9	Very high	94.2	Very high	27 Å²	27	36.8 Å²	36.8	17%	0.166	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	101.5	169.6	-64.3	0	0	0	0	107.7	D103 Y104 T105 K149 D150	D103-T180 HydrophobicContact CB-CG2 3.92Å; Y104-T180 CarbonylContact O-C 3.06Å; Y104-T180 WeakPolarHBondContact O-CA 3.26Å; T105-T180 PolarHBondContact OG1-OG1 2.9Å; K149-T180 PolarHBondContact N-O 3.14Å; D150-T180 PolarHBondContact O-N 2.8Å
181	A	96.8	Very high	94	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.8	-171.7	0	0	0	0	0	110.9	D103 Y104 N147 C183 L199	D103-A181 CarbonylContact C-O 3.59Å; D103-A181 VanDerWaalsContact CA-O 3.25Å; D103-A181 WeakPolarHBondContact CA-O 3.21Å; D103-A181 VanDerWaalsContact CB-O 3.31Å; D103-A181 WeakPolarHBondContact CB-O 3.39Å; Y104-A181 HydrophobicContact CD1-CB 4.29Å; Y104-A181 WeakPolarHBondContact CD1-O 3.4Å; Y104-A181 HydrophobicContact CE1-CB 3.69Å; Y104-A181 PolarHBondContact N-O 3.12Å; Y104-A181 PolarHBondContact O-N 2.82Å; N147-A181 CarbonylContact O-C 3.58Å; N147-A181 WeakPolarHBondContact O-CA 3.47Å; A181-C183 PolarHBondContact O-N 2.79Å; A181-L199 HydrophobicContact CB-CD1 4.35Å
182	A	96.3	Very high	93.8	Very high	37 Å²	37	37 Å²	37	31%	0.306	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	133.1	178.4	0	0	0	0	0	111.1	N147 K149	N147-A182 PolarHBondContact ND2-O 3.18Å; N147-A182 PolarHBondContact O-N 3.05Å; K149-A182 HydrophobicContact CG-CB 4.29Å
183	C	94.9	Very high	93.7	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.054	17%	0.169	C	C	.	.			trans	-139.8	116.7	178.6	176.8	0	0	0	0	110	M102 Y104 A181 L185 C197	M102-C183 CarbonylContact C-O 3.55Å; M102-C183 VanDerWaalsContact C-O 3.26Å; M102-C183 WeakPolarHBondContact CB-O 3.4Å; M102-C183 PolarHBondContact O-N 3.02Å; M102-C183 VanDerWaalsContact O-O 3.09Å; Y104-C183 HydrophobicContact CD1-CB 3.68Å; Y104-C183 HydrophobicContact CE1-CB 3.98Å; A181-C183 PolarHBondContact O-N 2.79Å; C183-L185 PolarHBondContact O-N 2.88Å; C183-L185 VanDerWaalsContact O-N 3.16Å; C183-C197 HydrophobicContact CB-CB 3.78Å; C183-C197 WeakPolarHBondContact CB-SG 3.31Å; C183-C197 WeakPolarHBondContact SG-CA 3.36Å; C183-C197 WeakPolarHBondContact SG-CB 3.38Å; C183-C197 CovalentContact SG-SG 2.04Å; C183-C197 PolarHBondContact SG-SG 3.44Å
184	S	91.6	Very high	93.5	Very high	117 Å²	117	37.7 Å²	37.7	82%	0.818	20%	0.197	S	C	*	.			trans	-74.5	102.2	173.6	-53.3	0	0	0	0	109.9
185	L	91.1	Very high	93.5	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.058	20%	0.196	C	C	.	.			trans	-82.1	138.1	179.7	-54.9	169.7	0	0	0	110.9	I97 E99 M102 C183 L187 Q195	I97-L185 HydrophobicContact CG2-CD1 4.18Å; I97-L185 HydrophobicContact CG2-CD2 4.23Å; E99-L185 HydrophobicContact CG-CD1 4.36Å; M102-L185 HydrophobicContact CE-CB 4.22Å; M102-L185 WeakPolarHBondContact CE-O 3.42Å; M102-L185 HydrophobicContact SD-CB 3.86Å; M102-L185 HydrophobicContact SD-CD1 4.04Å; M102-L185 HydrophobicContact SD-CG 4.07Å; C183-L185 PolarHBondContact O-N 2.88Å; C183-L185 VanDerWaalsContact O-N 3.16Å; L185-L187 HydrophobicContact CB-CD2 4Å; L185-L187 HydrophobicContact CB-CG 4.34Å; L185-Q195 HydrophobicContact CD2-CB 3.96Å; L185-Q195 HydrophobicContact CD2-CG 3.82Å
186	D	91.1	Very high	93.4	Very high	92 Å²	92	39.7 Å²	39.7	49%	0.492	21%	0.213	S	C	.	.			trans	-91.7	102.1	169.3	178.2	6.4	0	0	0	109.8	H188 Q195	D186-H188 WeakPolarHBondContact OD1-CB 3.27Å; D186-H188 IonicContact OD1-CD2 3.1Å; D186-H188 PolarHBondContact OD1-CD2 2.76Å; D186-H188 VanDerWaalsContact OD1-CD2 3.28Å; D186-H188 IonicContact OD1-CG 2.71Å; D186-H188 PolarHBondContact OD1-N 3.17Å; D186-Q195 PolarHBondContact O-NE2 2.79Å
187	L	91	Very high	93.4	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.201	C	C	.	.			trans	-91.8	4.9	-177.9	-56.8	-176.1	0	0	0	113.8	E99 L185 K189 F190 P320 I322 K326	E99-L187 HydrophobicContact CB-CD1 4.39Å; E99-L187 HydrophobicContact CG-CD1 4.47Å; E99-L187 HydrophobicContact CG-CD2 4.24Å; L185-L187 HydrophobicContact CB-CD2 4Å; L185-L187 HydrophobicContact CB-CG 4.34Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 2.99Å; L187-F190 HydrophobicContact CB-CB 4.32Å; L187-F190 HydrophobicContact CD2-CD2 4.35Å; L187-F190 WeakPolarHBondContact O-CB 3.39Å; L187-F190 PolarHBondContact O-N 3.16Å; L187-P320 HydrophobicContact CD1-CG 3.68Å; L187-I322 HydrophobicContact CD1-CD1 4.1Å; L187-K326 HydrophobicContact CB-CD 4.43Å
188	H	89.8	Confident	93.4	Very high	109 Å²	109	38.3 Å²	38.3	51%	0.505	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.1	-178.9	-81.6	-66.3	0	0	0	113	D186 I325 A327	D186-H188 WeakPolarHBondContact OD1-CB 3.27Å; D186-H188 IonicContact OD1-CD2 3.1Å; D186-H188 PolarHBondContact OD1-CD2 2.76Å; D186-H188 VanDerWaalsContact OD1-CD2 3.28Å; D186-H188 IonicContact OD1-CG 2.71Å; D186-H188 PolarHBondContact OD1-N 3.17Å; H188-I325 PolarHBondContact ND1-O 3.28Å; H188-A327 PolarHBondContact O-N 2.94Å
189	K	91	Very high	93.3	Very high	106 Å²	106	38.2 Å²	38.2	46%	0.461	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7.2	177.4	-70.6	-163.5	172.9	-161.3	0	114.5	L187 M192	L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 2.99Å; K189-M192 CarbonylContact O-C 3.26Å; K189-M192 WeakPolarHBondContact O-CA 3.15Å; K189-M192 PolarHBondContact O-N 2.9Å
190	F	91.1	Very high	93.4	Very high	1 Å²	1	39 Å²	39	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	132.5	-177.4	177.9	-84	0	0	0	112.4	L187 Y268 L319 I328	L187-F190 HydrophobicContact CB-CB 4.32Å; L187-F190 HydrophobicContact CD2-CD2 4.35Å; L187-F190 WeakPolarHBondContact O-CB 3.39Å; L187-F190 PolarHBondContact O-N 3.16Å; F190-Y268 HydrophobicContact CE1-CE1 4.12Å; F190-Y268 HydrophobicContact CE2-CE1 4.42Å; F190-Y268 HydrophobicContact CZ-CD1 4.31Å; F190-Y268 AromaticContact CZ-CE1 3.51Å; F190-Y268 HydrophobicContact CZ-CE1 3.51Å; F190-Y268 AromaticContact CZ-CZ 3.69Å; F190-L319 HydrophobicContact CD1-CD1 4.08Å; F190-L319 HydrophobicContact CD2-CD2 4.34Å; F190-L319 HydrophobicContact CE1-CD1 3.61Å; F190-L319 HydrophobicContact CE1-CD2 4.24Å; F190-L319 HydrophobicContact CE2-CD2 3.76Å; F190-L319 HydrophobicContact CZ-CD1 3.9Å; F190-L319 HydrophobicContact CZ-CD2 3.71Å; F190-L319 HydrophobicContact CZ-CG 4.34Å; F190-I328 HydrophobicContact CD1-CB 4.32Å; F190-I328 HydrophobicContact CD1-CG2 3.81Å; F190-I328 HydrophobicContact CE1-CD1 4.1Å; F190-I328 HydrophobicContact CE1-CG2 4.15Å; F190-I328 PolarHBondContact O-N 2.92Å
191	P	91.9	Very high	93.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.6	22.2	8.4	39.6	-35.1	0	0	0	114.3	D193 R263 V265 Y268 Y273 I328	P191-D193 VanDerWaalsContact C-N 3.34Å; P191-D193 VanDerWaalsContact C-OD1 3.25Å; P191-D193 WeakPolarHBondContact CA-OD1 3.34Å; P191-R263 WeakPolarHBondContact O-CD 3.33Å; P191-V265 HydrophobicContact CG-CG1 4.34Å; P191-Y268 HydrophobicContact CB-CD1 4.23Å; P191-Y268 HydrophobicContact CB-CD2 3.74Å; P191-Y268 HydrophobicContact CB-CE2 4.06Å; P191-Y268 HydrophobicContact CB-CG 3.83Å; P191-Y268 HydrophobicContact CG-CD2 4.3Å; P191-Y268 HydrophobicContact CG-CG 4.01Å; P191-Y273 WeakPolarHBondContact CD-OH 3.16Å; P191-Y273 HydrophobicContact CG-CE2 4.08Å; P191-I328 HydrophobicContact CG-CD1 4.4Å
192	M	90.6	Very high	93.3	Very high	24 Å²	24	37.7 Å²	37.7	12%	0.118	21%	0.208	C	C	.	.	S	Bend	trans	-103.9	35.2	176.9	-51.8	-166	-136.2	0	0	110.9	K189 V265 Y626 W627 H630 M631	K189-M192 CarbonylContact O-C 3.26Å; K189-M192 WeakPolarHBondContact O-CA 3.15Å; K189-M192 PolarHBondContact O-N 2.9Å; M192-V265 HydrophobicContact CG-CG1 4.15Å; M192-V265 HydrophobicContact CG-CG2 3.94Å; M192-Y626 HydrophobicContact CE-CE1 4.07Å; M192-W627 HydrophobicContact CE-CE3 3.76Å; M192-W627 HydrophobicContact CE-CH2 3.8Å; M192-W627 HydrophobicContact CE-CZ3 3.25Å; M192-W627 HydrophobicContact SD-CE3 4.47Å; M192-W627 HydrophobicContact SD-CZ3 4.06Å; M192-H630 HydrophobicContact CE-CB 3.68Å; M192-H630 HydrophobicContact SD-CB 3.61Å; M192-M631 HydrophobicContact SD-CG 4.28Å; M192-M631 HydrophobicContact SD-SD 3.78Å
193	D	91.9	Very high	93.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	20%	0.196	C	C	.	.			trans	-85.5	149	-174.7	52.1	-59.2	0	0	0	113.6	P191 Q195 R263	P191-D193 VanDerWaalsContact C-N 3.34Å; P191-D193 VanDerWaalsContact C-OD1 3.25Å; P191-D193 WeakPolarHBondContact CA-OD1 3.34Å; D193-Q195 PolarHBondContact OD2-NE2 2.74Å; D193-R263 PolarHBondContact O-N 3.49Å; D193-R263 WeakPolarHBondContact OD1-CD 3.19Å; D193-R263 IonicContact OD1-CZ 2.7Å; D193-R263 IonicContact OD1-NE 3.28Å; D193-R263 PolarHBondContact OD1-NE 3.29Å; D193-R263 IonicContact OD1-NH2 3.8Å; D193-R263 IonicContact OD2-CZ 3.49Å; D193-R263 IonicContact OD2-NE 3.94Å; D193-R263 PolarHBondContact OD2-NE 3.49Å; D193-R263 IonicContact OD2-NH2 3.63Å; D193-R263 PolarHBondContact OD2-NH2 3.25Å
194	K	92.8	Very high	93.3	Very high	143 Å²	143	44.1 Å²	44.1	62%	0.622	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118	118.8	171.6	-67.5	-177.9	176.1	-179.9	0	108	L236 V261 Q262	K194-L236 HydrophobicContact CD-CD1 4.13Å; K194-L236 HydrophobicContact CG-CD1 4.38Å; K194-V261 CarbonylContact C-O 3.6Å; K194-V261 WeakPolarHBondContact CA-O 3.42Å; K194-Q262 HydrophobicContact CG-CB 4.17Å; K194-Q262 HydrophobicContact CG-CG 4.21Å
195	Q	94.3	Very high	93.4	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.033	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147	-173.9	-56.3	-62.2	-11.3	0	0	111.2	L185 D186 D193 F233 Q260 V261	L185-Q195 HydrophobicContact CD2-CB 3.96Å; L185-Q195 HydrophobicContact CD2-CG 3.82Å; D186-Q195 PolarHBondContact O-NE2 2.79Å; D193-Q195 PolarHBondContact OD2-NE2 2.74Å; Q195-F233 HydrophobicContact CG-CE1 4.34Å; Q195-Q260 WeakPolarHBondContact O-CA 3.41Å; Q195-V261 HydrophobicContact CB-CG2 3.87Å; Q195-V261 PolarHBondContact N-O 3.24Å; Q195-V261 PolarHBondContact O-N 2.89Å
196	A	94.4	Very high	93.6	Very high	53 Å²	53	42.7 Å²	42.7	44%	0.438	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	77.1	-176.1	0	0	0	0	0	110.8	F259	A196-F259 CarbonylContact C-O 3.51Å; A196-F259 WeakPolarHBondContact CA-O 3.35Å
197	C	95.3	Very high	93.8	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.8	-177.5	-67.1	0	0	0	0	112	Y104 C183 K258 F259	Y104-C197 HydrophobicContact CD1-CB 3.87Å; Y104-C197 HydrophobicContact CE1-CB 3.63Å; C183-C197 HydrophobicContact CB-CB 3.78Å; C183-C197 WeakPolarHBondContact CB-SG 3.31Å; C183-C197 WeakPolarHBondContact SG-CA 3.36Å; C183-C197 WeakPolarHBondContact SG-CB 3.38Å; C183-C197 CovalentContact SG-SG 2.04Å; C183-C197 PolarHBondContact SG-SG 3.44Å; C197-K258 CarbonylContact O-C 3.45Å; C197-K258 WeakPolarHBondContact O-CA 3.46Å; C197-F259 PolarHBondContact N-O 2.85Å; C197-F259 PolarHBondContact O-N 3.49Å
198	N	95.5	Very high	94	Very high	56 Å²	56	40.8 Å²	40.8	30%	0.299	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.7	-176.3	-49.6	-76.1	0	0	0	109.9	Y104 N147 V200 I256 L257 K258	Y104-N198 VanDerWaalsContact OH-C 3.32Å; Y104-N198 PolarHBondContact OH-O 3.1Å; N147-N198 PolarHBondContact ND2-O 3.01Å; N198-V200 HydrophobicContact CB-CG2 4.43Å; N198-I256 HydrophobicContact CB-CG2 4.14Å; N198-L257 CarbonylContact C-O 3.55Å; N198-L257 WeakPolarHBondContact CA-O 3.35Å; N198-K258 WeakPolarHBondContact OD1-CD 3.43Å; N198-K258 WeakPolarHBondContact OD1-CE 3.41Å; N198-K258 WeakPolarHBondContact OD1-CG 3.32Å
199	L	95.7	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.9	161.6	-177	68.8	0	0	0	108.1	I89 Y104 M108 F145 T179 A181 L257 F259	I89-L199 HydrophobicContact CD1-CD2 4.11Å; Y104-L199 PolarHBondContact OH-N 2.99Å; M108-L199 HydrophobicContact CE-CD2 3.87Å; M108-L199 HydrophobicContact SD-CD2 3.78Å; F145-L199 HydrophobicContact CD1-CD1 3.77Å; F145-L199 HydrophobicContact CD1-CD2 4.49Å; F145-L199 HydrophobicContact CD1-CG 4.18Å; F145-L199 HydrophobicContact CE1-CD1 4.32Å; F145-L199 HydrophobicContact CE1-CD2 4.27Å; F145-L199 HydrophobicContact CE1-CG 4.44Å; T179-L199 HydrophobicContact CG2-CD1 4.23Å; A181-L199 HydrophobicContact CB-CD1 4.35Å; L199-L257 HydrophobicContact CB-CB 4.36Å; L199-L257 HydrophobicContact CD2-CD2 4.28Å; L199-L257 PolarHBondContact N-O 2.77Å; L199-L257 PolarHBondContact O-N 3.04Å; L199-F259 HydrophobicContact CB-CE2 4.19Å
200	V	96.3	Very high	94.4	Very high	16 Å²	16	39.9 Å²	39.9	10%	0.097	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.2	-174	-176.6	0	0	0	0	110.3	F145 L146 N147 N198 R254 I256	F145-V200 CarbonylContact C-O 3.59Å; F145-V200 VanDerWaalsContact CA-O 3.25Å; F145-V200 WeakPolarHBondContact CA-O 3.29Å; L146-V200 HydrophobicContact CB-CB 4.12Å; L146-V200 HydrophobicContact CB-CG1 3.8Å; L146-V200 HydrophobicContact CD2-CG1 4.03Å; L146-V200 PolarHBondContact N-O 2.78Å; L146-V200 VanDerWaalsContact N-O 3.12Å; N147-V200 PolarHBondContact OD1-N 2.81Å; N147-V200 VanDerWaalsContact OD1-N 3.1Å; N198-V200 HydrophobicContact CB-CG2 4.43Å; V200-R254 VanDerWaalsContact CG1-CD 3.42Å; V200-R254 HydrophobicContact CG1-CG 3.45Å; V200-R254 VanDerWaalsContact CG1-CG 3.45Å; V200-I256 HydrophobicContact CG1-CG1 4.36Å; V200-I256 HydrophobicContact CG2-CG1 4.34Å; V200-I256 HydrophobicContact CG2-CG2 4.48Å
201	V	96.5	Very high	94.6	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.3	-177.5	-174.3	0	0	0	0	110	F110 C143 Y144 F145 R254 L255	F110-V201 HydrophobicContact CE2-CG1 4.03Å; F110-V201 HydrophobicContact CE2-CG2 4.17Å; F110-V201 HydrophobicContact CZ-CG1 3.73Å; C143-V201 HydrophobicContact CB-CG1 4.35Å; Y144-V201 WeakPolarHBondContact O-CA 3.07Å; F145-V201 HydrophobicContact CD1-CG2 3.82Å; F145-V201 HydrophobicContact CE1-CG2 3.66Å; V201-R254 WeakPolarHBondContact O-CA 3.47Å; V201-L255 HydrophobicContact CB-CB 4.32Å; V201-L255 PolarHBondContact N-O 3.19Å; V201-L255 PolarHBondContact O-N 3.28Å
202	E	96.2	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.5	-173.1	-166	162	-164.4	0	0	110.3	C143 Y144 V245 F247 R254	C143-E202 CarbonylContact C-O 3.57Å; C143-E202 WeakPolarHBondContact CA-O 3.17Å; Y144-E202 HydrophobicContact CD1-CB 4.35Å; Y144-E202 WeakPolarHBondContact CD1-O 3.37Å; Y144-E202 HydrophobicContact CE1-CB 3.77Å; Y144-E202 HydrophobicContact CE1-CG 4.09Å; Y144-E202 PolarHBondContact N-O 2.95Å; Y144-E202 PolarHBondContact O-N 2.04Å; Y144-E202 VanDerWaalsContact O-N 3.14Å; E202-V245 WeakPolarHBondContact OE1-CG2 3.13Å; E202-F247 WeakPolarHBondContact OE1-CE2 3.42Å; E202-R254 VanDerWaalsContact CD-NE 3.32Å; E202-R254 VanDerWaalsContact CD-NH2 3.26Å; E202-R254 HydrophobicContact CG-CB 4.44Å; E202-R254 IonicContact OE1-CZ 3.42Å; E202-R254 IonicContact OE1-NE 3.33Å; E202-R254 PolarHBondContact OE1-NE 2.93Å; E202-R254 IonicContact OE1-NH2 3.14Å; E202-R254 PolarHBondContact OE1-NH2 2.96Å; E202-R254 IonicContact OE2-CZ 2.89Å; E202-R254 IonicContact OE2-NE 2.69Å; E202-R254 PolarHBondContact OE2-NE 3.4Å; E202-R254 IonicContact OE2-NH2 3.77Å; E202-R254 PolarHBondContact OE2-NH2 3.03Å
203	S	95.9	Very high	95	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	141.5	170	172	0	0	0	0	109.6	D142 Y144 Y206 Y252	D142-S203 WeakPolarHBondContact OD1-CB 3.31Å; D142-S203 PolarHBondContact OD1-OG 2.85Å; Y144-S203 WeakPolarHBondContact CE1-O 3.25Å; S203-Y206 WeakPolarHBondContact OG-CB 3.24Å; S203-Y206 PolarHBondContact OG-N 2.84Å; S203-Y206 PolarHBondContact OG-O 3.48Å; S203-Y252 WeakPolarHBondContact O-CD1 3.5Å
204	Y	94.3	Very high	95.1	Very high	173 Å²	173	44.4 Å²	44.4	68%	0.678	23%	0.229	S	C	*	.	S	Bend	trans	-82.6	-51.8	-174.5	-174	-97.6	0	0	0	112.8	D142 Y144	D142-Y204 PolarHBondContact O-N 2.93Å; D142-Y204 PolarHBondContact OD1-N 3.4Å; D142-Y204 PolarHBondContact OD2-N 3.08Å; Y144-Y204 HydrophobicContact CD1-CD2 4.12Å; Y144-Y204 HydrophobicContact CD1-CG 4.46Å; Y144-Y204 HydrophobicContact CE1-CD2 4.08Å; Y144-Y204 HydrophobicContact CG-CD2 4.4Å
205	G	93.8	Very high	95.2	Very high	46 Å²	46	38.6 Å²	38.6	47%	0.474	20%	0.203	S	C	.	.	S	Bend	trans	-100.5	-35.9	-177.3	0	0	0	0	0	114.4	D142	D142-G205 PolarHBondContact OD2-N 2.96Å
206	Y	95.3	Very high	94.9	Very high	53 Å²	53	39.8 Å²	39.8	21%	0.208	21%	0.21	C	C	.	.			trans	-86.4	126.1	-172.2	-57.2	-79.2	0	0	0	112.2	R75 W139 D142 S203 D210 I211 Y252	R75-Y206 HydrophobicContact CB-CE1 4.24Å; R75-Y206 HydrophobicContact CG-CE1 4.5Å; W139-Y206 HydrophobicContact CZ2-CE2 4.13Å; W139-Y206 AromaticContact NE1-CZ 3.75Å; W139-Y206 PolarHBondContact NE1-OH 3.05Å; D142-Y206 WeakPolarHBondContact OD1-CD2 3.37Å; S203-Y206 WeakPolarHBondContact OG-CB 3.24Å; S203-Y206 PolarHBondContact OG-N 2.84Å; S203-Y206 PolarHBondContact OG-O 3.48Å; Y206-D210 HydrophobicContact CD1-CB 3.75Å; Y206-D210 HydrophobicContact CG-CB 4.19Å; Y206-I211 HydrophobicContact CD2-CD1 3.4Å; Y206-I211 HydrophobicContact CD2-CG1 4.23Å; Y206-I211 HydrophobicContact CE2-CD1 4.11Å; Y206-I211 HydrophobicContact CG-CD1 3.63Å; Y206-I211 HydrophobicContact CG-CG1 3.94Å; Y206-Y252 WeakPolarHBondContact O-CD1 3.43Å; Y206-Y252 WeakPolarHBondContact O-CE1 3.45Å
207	T	95.9	Very high	93.8	Very high	24 Å²	24	43.5 Å²	43.5	15%	0.147	22%	0.222	C	C	.	.			trans	-78.7	176.6	175.6	64	0	0	0	0	111.6	E209 D210 I211 S251 Y252	T207-E209 PolarHBondContact O-N 3.43Å; T207-E209 PolarHBondContact OG1-N 3.1Å; T207-D210 PolarHBondContact O-N 3.5Å; T207-I211 PolarHBondContact O-N 3.08Å; T207-S251 CarbonylContact C-O 3.58Å; T207-S251 WeakPolarHBondContact CA-O 3.42Å; T207-S251 WeakPolarHBondContact CB-O 3.4Å; T207-Y252 HydrophobicContact CG2-CE1 4.42Å; T207-Y252 HydrophobicContact CG2-CE2 4.41Å
208	V	95.5	Very high	92.5	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.188	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.6	172.7	-58.2	0	0	0	0	114.5	D210 E244 S251 I253	V208-D210 VanDerWaalsContact C-N 3.34Å; V208-E244 HydrophobicContact CG1-CG 4.47Å; V208-S251 PolarHBondContact N-O 3.25Å; V208-I253 HydrophobicContact CG1-CD1 3.7Å; V208-I253 HydrophobicContact CG1-CG1 3.86Å
209	E	94.1	Very high	90.8	Very high	150 Å²	150	50.2 Å²	50.2	70%	0.701	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.8	176.5	-58	-177.1	176.7	0	0	112.3	R75 P82 T207	R75-E209 PolarHBondContact NH2-O 3.36Å; P82-E209 WeakPolarHBondContact CB-O 3.21Å; T207-E209 PolarHBondContact O-N 3.43Å; T207-E209 PolarHBondContact OG1-N 3.1Å
210	D	95.3	Very high	89.3	Confident	47 Å²	47	54 Å²	54	25%	0.251	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-39.9	-177.2	-82.7	-27.3	0	0	0	113.7	R75 P82 V83 Y206 T207 V208	R75-D210 IonicContact CZ-OD1 2.88Å; R75-D210 IonicContact NE-OD1 3.82Å; R75-D210 PolarHBondContact NE-OD1 2.91Å; R75-D210 IonicContact NH2-OD1 3.19Å; R75-D210 PolarHBondContact NH2-OD1 2.87Å; P82-D210 CarbonylContact C-O 3.45Å; P82-D210 WeakPolarHBondContact CA-O 3.44Å; V83-D210 PolarHBondContact N-O 3.23Å; Y206-D210 HydrophobicContact CD1-CB 3.75Å; Y206-D210 HydrophobicContact CG-CB 4.19Å; T207-D210 PolarHBondContact O-N 3.5Å; V208-D210 VanDerWaalsContact C-N 3.34Å
211	I	95.8	Very high	88.4	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.5	179.6	-65.2	-175.2	0	0	0	110.5	V83 V85 W139 P141 Y206 T207 L213	V83-I211 HydrophobicContact CB-CG1 4.49Å; V85-I211 HydrophobicContact CB-CG2 4.41Å; V85-I211 HydrophobicContact CG2-CG2 3.82Å; W139-I211 HydrophobicContact CH2-CD1 3.77Å; W139-I211 HydrophobicContact CH2-CG1 4.36Å; W139-I211 HydrophobicContact CZ2-CD1 3.81Å; P141-I211 HydrophobicContact CB-CD1 4.25Å; Y206-I211 HydrophobicContact CD2-CD1 3.4Å; Y206-I211 HydrophobicContact CD2-CG1 4.23Å; Y206-I211 HydrophobicContact CE2-CD1 4.11Å; Y206-I211 HydrophobicContact CG-CD1 3.63Å; Y206-I211 HydrophobicContact CG-CG1 3.94Å; T207-I211 PolarHBondContact O-N 3.08Å; I211-L213 HydrophobicContact CG2-CD2 3.66Å; I211-L213 HydrophobicContact CG2-CG 4.29Å
212	I	95.8	Very high	87.8	Confident	70 Å²	70	53.6 Å²	53.6	36%	0.359	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.9	168.5	-64.9	172.6	0	0	0	108.6	P82 V83 V85 I253	P82-I212 HydrophobicContact CB-CD1 4.1Å; P82-I212 HydrophobicContact CB-CG1 4.02Å; P82-I212 HydrophobicContact CG-CD1 3.65Å; P82-I212 HydrophobicContact CG-CG1 4.14Å; V83-I212 PolarHBondContact O-N 2.98Å; V85-I212 PolarHBondContact N-O 2.94Å; I212-I253 HydrophobicContact CG2-CG1 4.47Å
213	L	95.5	Very high	87.2	Confident	6 Å²	6	58.3 Å²	58.3	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	137	173.4	-57.1	-172.9	0	0	0	110.6	V85 I211 I253 L255	V85-L213 HydrophobicContact CB-CD2 3.94Å; V85-L213 HydrophobicContact CG1-CD2 4.23Å; V85-L213 WeakPolarHBondContact O-CA 3.46Å; I211-L213 HydrophobicContact CG2-CD2 3.66Å; I211-L213 HydrophobicContact CG2-CG 4.29Å; L213-I253 HydrophobicContact CB-CB 4.38Å; L213-I253 HydrophobicContact CB-CG2 4.32Å; L213-I253 WeakPolarHBondContact O-CG2 3.4Å; L213-L255 HydrophobicContact CB-CD1 4.04Å; L213-L255 HydrophobicContact CB-CD2 4.37Å; L213-L255 HydrophobicContact CB-CG 4.01Å
214	F	93.7	Very high	86.6	Confident	44 Å²	44	60 Å²	60	19%	0.193	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159.5	171.8	55.2	-76.9	0	0	0	111.7	P84 V85 R86 I87	P84-F214 HydrophobicContact CB-CE1 3.64Å; P84-F214 HydrophobicContact CB-CZ 4.09Å; V85-F214 WeakPolarHBondContact O-CD1 3.49Å; V85-F214 PolarHBondContact O-N 2.95Å; V85-F214 VanDerWaalsContact O-N 3.08Å; R86-F214 CarbonylContact C-O 3.58Å; R86-F214 WeakPolarHBondContact CA-O 3.32Å; R86-F214 HydrophobicContact CB-CD2 4.04Å; R86-F214 HydrophobicContact CB-CE2 3.6Å; R86-F214 HydrophobicContact CB-CZ 3.88Å; R86-F214 HydrophobicContact CG-CE2 3.68Å; R86-F214 HydrophobicContact CG-CZ 3.63Å; I87-F214 PolarHBondContact N-O 3.39Å
215	W	93.4	Very high	85.9	Confident	21 Å²	21	54 Å²	54	8%	0.08	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141.6	172	-66.6	112.4	0	0	0	109.8	I87 I89 D217 A221 I222 I240 T241 L255 L257	I87-W215 HydrophobicContact CG2-CZ3 4.29Å; I89-W215 HydrophobicContact CD1-CH2 4Å; I89-W215 HydrophobicContact CD1-CZ3 3.88Å; I89-W215 HydrophobicContact CG1-CZ3 4.14Å; W215-D217 PolarHBondContact O-N 2.86Å; W215-A221 HydrophobicContact CB-CB 3.72Å; W215-A221 HydrophobicContact CE3-CB 4.1Å; W215-A221 HydrophobicContact CG-CB 4.45Å; W215-I222 HydrophobicContact CE3-CG1 4.44Å; W215-I222 HydrophobicContact CH2-CD1 4.32Å; W215-I222 HydrophobicContact CZ3-CD1 4.21Å; W215-I222 HydrophobicContact CZ3-CG1 4.12Å; W215-I240 HydrophobicContact CB-CD1 4.37Å; W215-I240 HydrophobicContact CD2-CB 4.4Å; W215-I240 HydrophobicContact CD2-CG2 4.26Å; W215-I240 HydrophobicContact CG-CB 4.43Å; W215-I240 HydrophobicContact CG-CD1 4.28Å; W215-I240 HydrophobicContact CZ2-CG2 4.28Å; W215-T241 PolarHBondContact NE1-O 3.26Å; W215-L255 HydrophobicContact CD2-CD1 4.21Å; W215-L255 HydrophobicContact CE3-CD1 4.47Å; W215-L255 HydrophobicContact CH2-CB 4.34Å; W215-L255 HydrophobicContact CZ2-CB 3.69Å; W215-L257 HydrophobicContact CH2-CB 3.86Å; W215-L257 HydrophobicContact CZ2-CB 4.1Å
216	D	89.5	Confident	84.9	Confident	32 Å²	32	61.6 Å²	61.6	17%	0.171	33%	0.326	C	S	.	.			trans	-67.5	118.9	-178.9	-171.3	50.1	0	0	0	112.9	R86 I87 N218 A221	R86-D216 HydrophobicContact CB-CB 4.24Å; R86-D216 WeakPolarHBondContact CD-OD1 3.21Å; I87-D216 PolarHBondContact O-N 3.45Å; I87-D216 VanDerWaalsContact O-N 3.1Å; D216-N218 VanDerWaalsContact CG-ND2 3.3Å; D216-N218 PolarHBondContact O-N 2.8Å; D216-N218 PolarHBondContact OD1-ND2 3.23Å; D216-N218 PolarHBondContact OD2-ND2 2.94Å; D216-A221 HydrophobicContact CB-CB 4.4Å; D216-A221 WeakPolarHBondContact O-CB 3.5Å; D216-A221 PolarHBondContact O-N 2.87Å
217	D	71.5	Confident	83.8	Confident	131 Å²	131	67.4 Å²	67.4	70%	0.701	36%	0.355	S	S	*	.			trans	-69.1	-0.9	-167.8	-57.9	-71.3	0	0	0	115.2	W215 G219	W215-D217 PolarHBondContact O-N 2.86Å; D217-G219 PolarHBondContact O-N 2.66Å
218	N	67.2	Low	83.1	Confident	134 Å²	134	67.2 Å²	67.2	72%	0.717	35%	0.353	S	S	*	.	S	Bend	trans	-72.7	33.6	-175	-67.1	-57.6	0	0	0	114.3	D216 N220	D216-N218 VanDerWaalsContact CG-ND2 3.3Å; D216-N218 PolarHBondContact O-N 2.8Å; D216-N218 PolarHBondContact OD1-ND2 3.23Å; D216-N218 PolarHBondContact OD2-ND2 2.94Å; N218-N220 PolarHBondContact O-N 3.23Å
219	G	59.5	Low	82.2	Confident	67 Å²	67	72.8 Å²	72.8	69%	0.691	38%	0.377	S	S	*	.	S	Bend	trans	76	-20.1	175.2	0	0	0	0	0	115.9	D217	D217-G219 PolarHBondContact O-N 2.66Å
220	N	64.8	Low	81.8	Confident	79 Å²	79	66 Å²	66	42%	0.422	35%	0.346	S	S	.	.			trans	-145	71.7	173.5	-85.7	-62.2	0	0	0	111.5	N218 I222 H223 R238	N218-N220 PolarHBondContact O-N 3.23Å; N220-I222 PolarHBondContact O-N 3.1Å; N220-H223 PolarHBondContact O-CD2 2.8Å; N220-H223 VanDerWaalsContact O-CD2 3.31Å; N220-H223 PolarHBondContact O-NE2 2.56Å; N220-R238 PolarHBondContact OD1-NH2 3.47Å
221	A	77.3	Confident	81.3	Confident	6 Å²	6	66.4 Å²	66.4	5%	0.05	35%	0.351	C	S	.	.	S	Bend	trans	-49.7	-28.8	168.7	0	0	0	0	0	113	S88 I89 W215 D216	S88-A221 CarbonylContact C-O 3.49Å; S88-A221 WeakPolarHBondContact CA-O 3.32Å; S88-A221 VanDerWaalsContact CB-O 3.3Å; S88-A221 WeakPolarHBondContact CB-O 3.48Å; S88-A221 PolarHBondContact OG-O 3.13Å; I89-A221 PolarHBondContact N-O 3.1Å; W215-A221 HydrophobicContact CB-CB 3.72Å; W215-A221 HydrophobicContact CE3-CB 4.1Å; W215-A221 HydrophobicContact CG-CB 4.45Å; D216-A221 HydrophobicContact CB-CB 4.4Å; D216-A221 WeakPolarHBondContact O-CB 3.5Å; D216-A221 PolarHBondContact O-N 2.87Å
222	I	83.2	Confident	80.8	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.015	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127	174.2	-55.9	177.4	0	0	0	110	I89 W215 N220 R238 I240 L257	I89-I222 CarbonylContact O-C 3.57Å; I89-I222 VanDerWaalsContact O-CA 3.28Å; I89-I222 WeakPolarHBondContact O-CA 3.36Å; W215-I222 HydrophobicContact CE3-CG1 4.44Å; W215-I222 HydrophobicContact CH2-CD1 4.32Å; W215-I222 HydrophobicContact CZ3-CD1 4.21Å; W215-I222 HydrophobicContact CZ3-CG1 4.12Å; N220-I222 PolarHBondContact O-N 3.1Å; I222-R238 PolarHBondContact O-NH1 3.41Å; I222-R238 PolarHBondContact O-NH2 3.49Å; I222-I240 HydrophobicContact CD1-CG2 3.26Å; I222-I240 HydrophobicContact CG1-CG2 4.04Å; I222-L257 HydrophobicContact CD1-CB 4.13Å; I222-L257 HydrophobicContact CD1-CD1 3.29Å; I222-L257 HydrophobicContact CD1-CD2 3.49Å; I222-L257 VanDerWaalsContact CD1-CD2 3.49Å; I222-L257 HydrophobicContact CD1-CG 3.79Å; I222-L257 HydrophobicContact CG1-CD2 4.47Å
223	H	84.4	Confident	80.6	Confident	98 Å²	98	68.3 Å²	68.3	45%	0.454	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	156.9	166.5	-69.9	-86	0	0	0	110	I89 Y90 V91 N220	I89-H223 PolarHBondContact O-N 3.26Å; Y90-H223 CarbonylContact C-O 3.56Å; Y90-H223 WeakPolarHBondContact CA-O 3.29Å; Y90-H223 HydrophobicContact CD2-CB 3.43Å; Y90-H223 VanDerWaalsContact CD2-CB 3.43Å; Y90-H223 HydrophobicContact CE2-CB 4Å; Y90-H223 HydrophobicContact CG-CB 4.21Å; V91-H223 PolarHBondContact N-O 2.74Å; N220-H223 PolarHBondContact O-CD2 2.8Å; N220-H223 VanDerWaalsContact O-CD2 3.31Å; N220-H223 PolarHBondContact O-NE2 2.56Å
224	M	82.8	Confident	80.3	Confident	41 Å²	41	70.6 Å²	70.6	20%	0.202	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.6	177.2	-80	152.4	55.9	0	0	107.9	V91 L228 F235 R238	V91-M224 HydrophobicContact CB-CG 3.93Å; V91-M224 HydrophobicContact CG2-CG 4.44Å; V91-M224 WeakPolarHBondContact O-CA 3.18Å; M224-L228 HydrophobicContact CE-CB 4.34Å; M224-L228 HydrophobicContact CE-CD2 3.97Å; M224-F235 HydrophobicContact CE-CD1 3.95Å; M224-F235 HydrophobicContact CE-CD2 4.3Å; M224-F235 HydrophobicContact CE-CE1 3.52Å; M224-F235 HydrophobicContact CE-CE2 3.9Å; M224-F235 HydrophobicContact CE-CG 4.31Å; M224-F235 HydrophobicContact CE-CZ 3.48Å; M224-F235 VanDerWaalsContact CE-CZ 3.48Å; M224-F235 HydrophobicContact SD-CE2 4.42Å; M224-F235 HydrophobicContact SD-CZ 3.98Å; M224-R238 PolarHBondContact SD-NH1 2.99Å
225	T	80.6	Confident	80.2	Confident	48 Å²	48	71.6 Å²	71.6	29%	0.294	38%	0.376	S	S	.	.			trans	-55.1	141.1	160.1	-46.2	0	0	0	0	109.8	Y90 V91 T92 E227	Y90-T225 WeakPolarHBondContact OH-CA 3.19Å; Y90-T225 PolarHBondContact OH-N 2.78Å; V91-T225 PolarHBondContact O-N 3.43Å; T92-T225 PolarHBondContact O-OG1 3.22Å; T225-E227 VanDerWaalsContact C-N 3.26Å; T225-E227 PolarHBondContact O-N 2.79Å
226	E	71.6	Confident	80	Confident	205 Å²	205	74.5 Å²	74.5	96%	0.958	39%	0.393	S	S	*	.	S	Bend	trans	-59.7	-36.1	-175.9	-62.1	-176.6	161.4	0	0	112.5
227	E	73.5	Confident	80.1	Confident	175 Å²	175	73.8 Å²	73.8	82%	0.818	39%	0.393	S	S	*	.	S	Bend	trans	-110.1	92.9	169.2	-65.9	-174.7	168.1	0	0	110.2	T225 H229	T225-E227 VanDerWaalsContact C-N 3.26Å; T225-E227 PolarHBondContact O-N 2.79Å; E227-H229 VanDerWaalsContact C-N 3.35Å; E227-H229 PolarHBondContact O-N 2.7Å
228	L	79.9	Confident	81	Confident	21 Å²	21	71.4 Å²	71.4	11%	0.11	37%	0.374	C	S	.	.			trans	-78.6	83.6	171.3	-175.1	66.2	0	0	0	110	V91 I94 M224 I230 F235	V91-L228 HydrophobicContact CG1-CD1 4.07Å; I94-L228 HydrophobicContact CD1-CD2 4.23Å; M224-L228 HydrophobicContact CE-CB 4.34Å; M224-L228 HydrophobicContact CE-CD2 3.97Å; L228-I230 HydrophobicContact CD2-CD1 4.21Å; L228-I230 HydrophobicContact CD2-CG1 4.4Å; L228-I230 HydrophobicContact CG-CD1 4.44Å; L228-I230 HydrophobicContact CG-CG1 4.09Å; L228-I230 PolarHBondContact O-N 2.68Å; L228-F235 HydrophobicContact CD2-CD2 4.01Å; L228-F235 HydrophobicContact CD2-CG 4.39Å
229	H	78	Confident	82.1	Confident	148 Å²	148	67.9 Å²	67.9	69%	0.685	36%	0.357	S	S	*	.			trans	-69	107.7	175.6	177.5	-72.2	0	0	0	111.2	E227	E227-H229 VanDerWaalsContact C-N 3.35Å; E227-H229 PolarHBondContact O-N 2.7Å
230	I	85.7	Confident	83.7	Confident	8 Å²	8	68.7 Å²	68.7	4%	0.041	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-107	121.5	172	-42.7	178.4	0	0	0	108.1	I94 I97 L228 Q232 F233 F235 V261	I94-I230 HydrophobicContact CB-CD1 4.44Å; I94-I230 HydrophobicContact CB-CG1 4.23Å; I94-I230 HydrophobicContact CB-CG2 4.26Å; I94-I230 HydrophobicContact CD1-CD1 3.99Å; I94-I230 HydrophobicContact CG2-CG2 4.05Å; I97-I230 HydrophobicContact CD1-CG2 4.19Å; I97-I230 HydrophobicContact CG1-CG2 4.47Å; L228-I230 HydrophobicContact CD2-CD1 4.21Å; L228-I230 HydrophobicContact CD2-CG1 4.4Å; L228-I230 HydrophobicContact CG-CD1 4.44Å; L228-I230 HydrophobicContact CG-CG1 4.09Å; L228-I230 PolarHBondContact O-N 2.68Å; I230-Q232 PolarHBondContact O-N 2.84Å; I230-F233 HydrophobicContact CB-CB 4.15Å; I230-F233 HydrophobicContact CG2-CB 3.97Å; I230-F233 HydrophobicContact CG2-CD2 4.46Å; I230-F233 PolarHBondContact O-N 2.96Å; I230-F235 HydrophobicContact CD1-CB 4.34Å; I230-V261 HydrophobicContact CD1-CG1 3.7Å
231	P	83.4	Confident	84.9	Confident	55 Å²	55	67.8 Å²	67.8	36%	0.357	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	128.4	178.3	-24.4	34.6	0	0	0	111.7	F233	P231-F233 WeakPolarHBondContact O-CD2 3.47Å; P231-F233 PolarHBondContact O-N 3.05Å
232	Q	85.7	Confident	85.7	Confident	102 Å²	102	71.2 Å²	71.2	48%	0.477	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	3.6	-179.7	-43.4	179.6	31.6	0	0	116.6	I230 E264 Y268	I230-Q232 PolarHBondContact O-N 2.84Å; Q232-E264 PolarHBondContact O-N 2.85Å; Q232-Y268 PolarHBondContact OE1-OH 2.98Å
233	F	90.9	Very high	86.3	Confident	10 Å²	10	75.8 Å²	75.8	4%	0.044	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.1	-178.3	-69.9	-92.7	0	0	0	112.7	I97 Q195 I230 P231 V261 Q262 R263	I97-F233 HydrophobicContact CB-CD2 4.4Å; I97-F233 HydrophobicContact CB-CE2 3.84Å; I97-F233 HydrophobicContact CB-CZ 4.34Å; I97-F233 HydrophobicContact CD1-CD1 4.42Å; I97-F233 HydrophobicContact CD1-CD2 3.83Å; I97-F233 HydrophobicContact CD1-CE2 3.93Å; I97-F233 HydrophobicContact CD1-CG 4.08Å; I97-F233 HydrophobicContact CD1-CZ 4.25Å; I97-F233 HydrophobicContact CG1-CD2 4.43Å; I97-F233 HydrophobicContact CG1-CE2 4.32Å; I97-F233 HydrophobicContact CG2-CE2 4.23Å; I97-F233 HydrophobicContact CG2-CZ 4.22Å; Q195-F233 HydrophobicContact CG-CE1 4.34Å; I230-F233 HydrophobicContact CB-CB 4.15Å; I230-F233 HydrophobicContact CG2-CB 3.97Å; I230-F233 HydrophobicContact CG2-CD2 4.46Å; I230-F233 PolarHBondContact O-N 2.96Å; P231-F233 WeakPolarHBondContact O-CD2 3.47Å; P231-F233 PolarHBondContact O-N 3.05Å; F233-V261 HydrophobicContact CB-CB 4.28Å; F233-V261 HydrophobicContact CD1-CB 4.17Å; F233-V261 HydrophobicContact CD1-CG2 3.78Å; F233-V261 HydrophobicContact CE1-CG2 4.23Å; F233-V261 HydrophobicContact CG-CG2 4.39Å; F233-Q262 WeakPolarHBondContact CA-O 3.41Å; F233-R263 HydrophobicContact CD1-CB 4.15Å; F233-R263 HydrophobicContact CE1-CB 4.01Å; F233-R263 HydrophobicContact CE1-CG 4.41Å
234	T	90.6	Very high	86.8	Confident	54 Å²	54	75.2 Å²	75.2	33%	0.331	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.5	166.5	55.7	0	0	0	0	110.1	V261 Q262 E264	T234-V261 CarbonylContact O-C 3.19Å; T234-V261 VanDerWaalsContact O-CA 3.26Å; T234-V261 WeakPolarHBondContact O-CA 3.11Å; T234-Q262 PolarHBondContact N-O 2.98Å; T234-Q262 PolarHBondContact O-N 3.38Å; T234-Q262 PolarHBondContact OG1-O 3.28Å; T234-E264 HydrophobicContact CG2-CG 3.97Å
235	F	90.9	Very high	87.4	Confident	65 Å²	65	74 Å²	74	29%	0.285	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.3	171.2	175.7	-95	0	0	0	110	M224 L228 I230 G237 R238 F259	M224-F235 HydrophobicContact CE-CD1 3.95Å; M224-F235 HydrophobicContact CE-CD2 4.3Å; M224-F235 HydrophobicContact CE-CE1 3.52Å; M224-F235 HydrophobicContact CE-CE2 3.9Å; M224-F235 HydrophobicContact CE-CG 4.31Å; M224-F235 HydrophobicContact CE-CZ 3.48Å; M224-F235 VanDerWaalsContact CE-CZ 3.48Å; M224-F235 HydrophobicContact SD-CE2 4.42Å; M224-F235 HydrophobicContact SD-CZ 3.98Å; L228-F235 HydrophobicContact CD2-CD2 4.01Å; L228-F235 HydrophobicContact CD2-CG 4.39Å; I230-F235 HydrophobicContact CD1-CB 4.34Å; F235-G237 WeakPolarHBondContact CE2-O 3.4Å; F235-G237 VanDerWaalsContact CZ-CA 3.45Å; F235-G237 WeakPolarHBondContact CZ-O 3.39Å; F235-R238 HydrophobicContact CE2-CB 4.47Å; F235-R238 HydrophobicContact CZ-CB 4.06Å; F235-R238 HydrophobicContact CZ-CG 4.44Å; F235-F259 HydrophobicContact CE2-CD1 4.27Å
236	L	90.1	Very high	88	Confident	83 Å²	83	79.9 Å²	79.9	44%	0.435	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-37.3	177.5	-66.8	-175.9	0	0	0	112.9	K194 Q260 Q262	K194-L236 HydrophobicContact CD-CD1 4.13Å; K194-L236 HydrophobicContact CG-CD1 4.38Å; L236-Q260 HydrophobicContact CB-CB 4.16Å; L236-Q260 PolarHBondContact N-O 2.77Å; L236-Q262 HydrophobicContact CD1-CB 3.84Å; L236-Q262 HydrophobicContact CD2-CB 4.09Å; L236-Q262 HydrophobicContact CG-CB 3.91Å
237	G	89.9	Confident	89.1	Confident	16 Å²	16	74.6 Å²	74.6	17%	0.165	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	177.1	-172.1	0	0	0	0	0	114	F235 Q260	F235-G237 WeakPolarHBondContact CE2-O 3.4Å; F235-G237 VanDerWaalsContact CZ-CA 3.45Å; F235-G237 WeakPolarHBondContact CZ-O 3.39Å; G237-Q260 PolarHBondContact N-O 3.42Å; G237-Q260 PolarHBondContact O-N 2.82Å
238	R	90.4	Very high	89.9	Confident	81 Å²	81	76.8 Å²	76.8	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.1	179.4	65.9	-167.2	-176.2	178.8	10.9	110.9	N220 I222 M224 F235 L257 K258	N220-R238 PolarHBondContact OD1-NH2 3.47Å; I222-R238 PolarHBondContact O-NH1 3.41Å; I222-R238 PolarHBondContact O-NH2 3.49Å; M224-R238 PolarHBondContact SD-NH1 2.99Å; F235-R238 HydrophobicContact CE2-CB 4.47Å; F235-R238 HydrophobicContact CZ-CB 4.06Å; F235-R238 HydrophobicContact CZ-CG 4.44Å; R238-L257 HydrophobicContact CB-CD1 4.26Å; R238-K258 CarbonylContact C-O 3.59Å; R238-K258 WeakPolarHBondContact CA-O 3.34Å
239	T	91.3	Very high	90.5	Very high	60 Å²	60	79.4 Å²	79.4	37%	0.368	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.6	169.2	61.9	0	0	0	0	110.4	K258	T239-K258 PolarHBondContact N-O 2.99Å; T239-K258 PolarHBondContact O-N 3.43Å; T239-K258 WeakPolarHBondContact OG1-CB 3.23Å; T239-K258 WeakPolarHBondContact OG1-CG 3.33Å
240	I	91.8	Very high	91.3	Very high	85 Å²	85	73.5 Å²	73.5	44%	0.436	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.4	170.1	55.4	175.3	0	0	0	109.7	W215 I222	W215-I240 HydrophobicContact CB-CD1 4.37Å; W215-I240 HydrophobicContact CD2-CB 4.4Å; W215-I240 HydrophobicContact CD2-CG2 4.26Å; W215-I240 HydrophobicContact CG-CB 4.43Å; W215-I240 HydrophobicContact CG-CD1 4.28Å; W215-I240 HydrophobicContact CZ2-CG2 4.28Å; I222-I240 HydrophobicContact CD1-CG2 3.26Å; I222-I240 HydrophobicContact CG1-CG2 4.04Å
241	T	92	Very high	91.8	Very high	59 Å²	59	73.9 Å²	73.9	36%	0.362	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.5	172.9	43	0	0	0	0	109.2	W215 I256	W215-T241 PolarHBondContact NE1-O 3.26Å; T241-I256 PolarHBondContact N-O 2.97Å; T241-I256 PolarHBondContact O-N 3Å; T241-I256 WeakPolarHBondContact OG1-CB 3.47Å; T241-I256 PolarHBondContact OG1-O 2.87Å; T241-I256 VanDerWaalsContact OG1-O 3.11Å
242	S	93.4	Very high	92.5	Very high	79 Å²	79	72 Å²	72	55%	0.552	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.9	165.5	49.6	0	0	0	0	107.7
243	K	94.5	Very high	92.9	Very high	99 Å²	99	68.7 Å²	68.7	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.5	171.3	66.4	171.2	-166.1	162.8	0	110.8	V245 R254 I256	K243-V245 HydrophobicContact CD-CG1 4.1Å; K243-V245 VanDerWaalsContact CE-CG1 3.44Å; K243-V245 HydrophobicContact CG-CG1 4.25Å; K243-R254 HydrophobicContact CG-CB 4.3Å; K243-R254 PolarHBondContact N-O 3.33Å; K243-R254 PolarHBondContact O-N 3.35Å; K243-I256 HydrophobicContact CD-CD1 4.14Å; K243-I256 HydrophobicContact CG-CD1 4.33Å
244	E	95.7	Very high	93.2	Very high	85 Å²	85	69.7 Å²	69.7	40%	0.397	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	147.3	165.8	-170.5	170	-172.7	0	0	110	V208 Y246 S251 Y252 I253	V208-E244 HydrophobicContact CG1-CG 4.47Å; E244-Y246 VanDerWaalsContact CD-OH 3.27Å; E244-Y246 HydrophobicContact CG-CE2 4.27Å; E244-Y246 PolarHBondContact OE1-OH 3.33Å; E244-Y246 PolarHBondContact OE2-OH 2.91Å; E244-S251 VanDerWaalsContact CD-OG 3.24Å; E244-S251 WeakPolarHBondContact CG-OG 3.41Å; E244-S251 WeakPolarHBondContact OE1-CB 3.34Å; E244-S251 PolarHBondContact OE1-OG 3.43Å; E244-Y252 WeakPolarHBondContact CA-O 3.41Å; E244-I253 HydrophobicContact CB-CD1 4.02Å; E244-I253 HydrophobicContact CG-CD1 4.13Å
245	V	94.8	Very high	93.5	Very high	17 Å²	17	67.1 Å²	67.1	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	133.9	-179.8	-78.6	0	0	0	0	110.8	E202 K243 F247 S251 Y252 R254	E202-V245 WeakPolarHBondContact OE1-CG2 3.13Å; K243-V245 HydrophobicContact CD-CG1 4.1Å; K243-V245 VanDerWaalsContact CE-CG1 3.44Å; K243-V245 HydrophobicContact CG-CG1 4.25Å; V245-F247 HydrophobicContact CB-CE2 4.47Å; V245-F247 HydrophobicContact CG2-CE2 4.18Å; V245-S251 WeakPolarHBondContact O-CA 3.4Å; V245-Y252 VanDerWaalsContact CG2-O 3.3Å; V245-Y252 WeakPolarHBondContact CG2-O 3.29Å; V245-Y252 PolarHBondContact N-O 3.5Å; V245-Y252 PolarHBondContact O-N 2.79Å; V245-R254 HydrophobicContact CG2-CB 3.87Å
246	Y	95	Very high	93.7	Very high	170 Å²	170	65.1 Å²	65.1	67%	0.667	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.6	-175	-58.5	-85.2	0	0	0	110.7	E244 S251	E244-Y246 VanDerWaalsContact CD-OH 3.27Å; E244-Y246 HydrophobicContact CG-CE2 4.27Å; E244-Y246 PolarHBondContact OE1-OH 3.33Å; E244-Y246 PolarHBondContact OE2-OH 2.91Å; Y246-S251 WeakPolarHBondContact CE1-OG 3.31Å
247	F	92.8	Very high	93.9	Very high	95 Å²	95	61.2 Å²	61.2	42%	0.417	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	170.7	172.9	-71	-88.9	0	0	0	110.1	E202 V245 T249 G250 Y252 R254	E202-F247 WeakPolarHBondContact OE1-CE2 3.42Å; V245-F247 HydrophobicContact CB-CE2 4.47Å; V245-F247 HydrophobicContact CG2-CE2 4.18Å; F247-T249 PolarHBondContact O-N 2.84Å; F247-G250 PolarHBondContact N-O 2.68Å; F247-G250 PolarHBondContact O-N 2.88Å; F247-G250 VanDerWaalsContact O-N 3.15Å; F247-G250 VanDerWaalsContact O-O 3.14Å; F247-Y252 HydrophobicContact CB-CE2 4.35Å; F247-Y252 AromaticContact CD2-CD2 3.81Å; F247-Y252 HydrophobicContact CD2-CD2 3.81Å; F247-Y252 HydrophobicContact CD2-CE2 4.17Å; F247-Y252 HydrophobicContact CE2-CD2 4.48Å; F247-R254 VanDerWaalsContact CE2-NH2 3.34Å; F247-R254 VanDerWaalsContact CZ-NH2 3.27Å
248	Y	91.9	Very high	94.1	Very high	220 Å²	220	64.2 Å²	64.2	86%	0.863	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.5	175.2	70.5	-87.1	0	0	0	113.6
249	T	92.8	Very high	94.1	Very high	76 Å²	76	60.5 Å²	60.5	47%	0.466	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-16.5	174.7	51	0	0	0	0	113.7	F247 Y252	F247-T249 PolarHBondContact O-N 2.84Å; T249-Y252 WeakPolarHBondContact CB-OH 3.37Å; T249-Y252 WeakPolarHBondContact OG1-CE2 3.19Å; T249-Y252 PolarHBondContact OG1-OH 2.8Å
250	G	94.6	Very high	94.3	Very high	25 Å²	25	62 Å²	62	26%	0.258	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.4	-171.5	-174.3	0	0	0	0	0	113.3	F247	F247-G250 PolarHBondContact N-O 2.68Å; F247-G250 PolarHBondContact O-N 2.88Å; F247-G250 VanDerWaalsContact O-N 3.15Å; F247-G250 VanDerWaalsContact O-O 3.14Å
251	S	96.3	Very high	94.3	Very high	15 Å²	15	58.2 Å²	58.2	11%	0.105	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.7	173.9	-169.7	0	0	0	0	111.3	T207 V208 E244 V245 Y246	T207-S251 CarbonylContact C-O 3.58Å; T207-S251 WeakPolarHBondContact CA-O 3.42Å; T207-S251 WeakPolarHBondContact CB-O 3.4Å; V208-S251 PolarHBondContact N-O 3.25Å; E244-S251 VanDerWaalsContact CD-OG 3.24Å; E244-S251 WeakPolarHBondContact CG-OG 3.41Å; E244-S251 WeakPolarHBondContact OE1-CB 3.34Å; E244-S251 PolarHBondContact OE1-OG 3.43Å; V245-S251 WeakPolarHBondContact O-CA 3.4Å; Y246-S251 WeakPolarHBondContact CE1-OG 3.31Å
252	Y	96.6	Very high	94.3	Very high	16 Å²	16	58.5 Å²	58.5	6%	0.063	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.2	-178.9	-59.6	-103.3	0	0	0	110.7	S203 Y206 T207 E244 V245 F247 T249	S203-Y252 WeakPolarHBondContact O-CD1 3.5Å; Y206-Y252 WeakPolarHBondContact O-CD1 3.43Å; Y206-Y252 WeakPolarHBondContact O-CE1 3.45Å; T207-Y252 HydrophobicContact CG2-CE1 4.42Å; T207-Y252 HydrophobicContact CG2-CE2 4.41Å; E244-Y252 WeakPolarHBondContact CA-O 3.41Å; V245-Y252 VanDerWaalsContact CG2-O 3.3Å; V245-Y252 WeakPolarHBondContact CG2-O 3.29Å; V245-Y252 PolarHBondContact N-O 3.5Å; V245-Y252 PolarHBondContact O-N 2.79Å; F247-Y252 HydrophobicContact CB-CE2 4.35Å; F247-Y252 AromaticContact CD2-CD2 3.81Å; F247-Y252 HydrophobicContact CD2-CD2 3.81Å; F247-Y252 HydrophobicContact CD2-CE2 4.17Å; F247-Y252 HydrophobicContact CE2-CD2 4.48Å; T249-Y252 WeakPolarHBondContact CB-OH 3.37Å; T249-Y252 WeakPolarHBondContact OG1-CE2 3.19Å; T249-Y252 PolarHBondContact OG1-OH 2.8Å
253	I	95.8	Very high	94.3	Very high	32 Å²	32	55 Å²	55	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.9	167.5	-55	-52.4	0	0	0	109.7	V208 I212 L213 E244 L255	V208-I253 HydrophobicContact CG1-CD1 3.7Å; V208-I253 HydrophobicContact CG1-CG1 3.86Å; I212-I253 HydrophobicContact CG2-CG1 4.47Å; L213-I253 HydrophobicContact CB-CB 4.38Å; L213-I253 HydrophobicContact CB-CG2 4.32Å; L213-I253 WeakPolarHBondContact O-CG2 3.4Å; E244-I253 HydrophobicContact CB-CD1 4.02Å; E244-I253 HydrophobicContact CG-CD1 4.13Å; I253-L255 HydrophobicContact CG2-CD2 4.18Å
254	R	96.3	Very high	94.1	Very high	32 Å²	32	54.5 Å²	54.5	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.3	174.9	-178.9	179.3	-68.9	161.4	22.2	110.2	V200 V201 E202 K243 V245 F247 I256	V200-R254 VanDerWaalsContact CG1-CD 3.42Å; V200-R254 HydrophobicContact CG1-CG 3.45Å; V200-R254 VanDerWaalsContact CG1-CG 3.45Å; V201-R254 WeakPolarHBondContact O-CA 3.47Å; E202-R254 VanDerWaalsContact CD-NE 3.32Å; E202-R254 VanDerWaalsContact CD-NH2 3.26Å; E202-R254 HydrophobicContact CG-CB 4.44Å; E202-R254 IonicContact OE1-CZ 3.42Å; E202-R254 IonicContact OE1-NE 3.33Å; E202-R254 PolarHBondContact OE1-NE 2.93Å; E202-R254 IonicContact OE1-NH2 3.14Å; E202-R254 PolarHBondContact OE1-NH2 2.96Å; E202-R254 IonicContact OE2-CZ 2.89Å; E202-R254 IonicContact OE2-NE 2.69Å; E202-R254 PolarHBondContact OE2-NE 3.4Å; E202-R254 IonicContact OE2-NH2 3.77Å; E202-R254 PolarHBondContact OE2-NH2 3.03Å; K243-R254 HydrophobicContact CG-CB 4.3Å; K243-R254 PolarHBondContact N-O 3.33Å; K243-R254 PolarHBondContact O-N 3.35Å; V245-R254 HydrophobicContact CG2-CB 3.87Å; F247-R254 VanDerWaalsContact CE2-NH2 3.34Å; F247-R254 VanDerWaalsContact CZ-NH2 3.27Å; R254-I256 HydrophobicContact CG-CD1 4.47Å; R254-I256 HydrophobicContact CG-CG1 4.07Å
255	L	95.8	Very high	93.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.2	170.4	-54.7	-174.5	0	0	0	109.5	I87 V201 L213 W215 I253	I87-L255 HydrophobicContact CB-CD1 3.76Å; I87-L255 HydrophobicContact CG1-CD1 3.71Å; I87-L255 HydrophobicContact CG2-CD1 4.31Å; V201-L255 HydrophobicContact CB-CB 4.32Å; V201-L255 PolarHBondContact N-O 3.19Å; V201-L255 PolarHBondContact O-N 3.28Å; L213-L255 HydrophobicContact CB-CD1 4.04Å; L213-L255 HydrophobicContact CB-CD2 4.37Å; L213-L255 HydrophobicContact CB-CG 4.01Å; W215-L255 HydrophobicContact CD2-CD1 4.21Å; W215-L255 HydrophobicContact CE3-CD1 4.47Å; W215-L255 HydrophobicContact CH2-CB 4.34Å; W215-L255 HydrophobicContact CZ2-CB 3.69Å; I253-L255 HydrophobicContact CG2-CD2 4.18Å
256	I	95.3	Very high	93.6	Very high	22 Å²	22	55.9 Å²	55.9	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	118.6	179.8	-55.6	174.5	0	0	0	109.4	N198 V200 T241 K243 R254 K258	N198-I256 HydrophobicContact CB-CG2 4.14Å; V200-I256 HydrophobicContact CG1-CG1 4.36Å; V200-I256 HydrophobicContact CG2-CG1 4.34Å; V200-I256 HydrophobicContact CG2-CG2 4.48Å; T241-I256 PolarHBondContact N-O 2.97Å; T241-I256 PolarHBondContact O-N 3Å; T241-I256 WeakPolarHBondContact OG1-CB 3.47Å; T241-I256 PolarHBondContact OG1-O 2.87Å; T241-I256 VanDerWaalsContact OG1-O 3.11Å; K243-I256 HydrophobicContact CD-CD1 4.14Å; K243-I256 HydrophobicContact CG-CD1 4.33Å; R254-I256 HydrophobicContact CG-CD1 4.47Å; R254-I256 HydrophobicContact CG-CG1 4.07Å; I256-K258 HydrophobicContact CG2-CG 4.08Å
257	L	94.3	Very high	93.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.3	170.1	159.5	52	0	0	0	108.3	I89 N198 L199 W215 I222 R238 F259	I89-L257 HydrophobicContact CD1-CD2 4.19Å; N198-L257 CarbonylContact C-O 3.55Å; N198-L257 WeakPolarHBondContact CA-O 3.35Å; L199-L257 HydrophobicContact CB-CB 4.36Å; L199-L257 HydrophobicContact CD2-CD2 4.28Å; L199-L257 PolarHBondContact N-O 2.77Å; L199-L257 PolarHBondContact O-N 3.04Å; W215-L257 HydrophobicContact CH2-CB 3.86Å; W215-L257 HydrophobicContact CZ2-CB 4.1Å; I222-L257 HydrophobicContact CD1-CB 4.13Å; I222-L257 HydrophobicContact CD1-CD1 3.29Å; I222-L257 HydrophobicContact CD1-CD2 3.49Å; I222-L257 VanDerWaalsContact CD1-CD2 3.49Å; I222-L257 HydrophobicContact CD1-CG 3.79Å; I222-L257 HydrophobicContact CG1-CD2 4.47Å; R238-L257 HydrophobicContact CB-CD1 4.26Å; L257-F259 HydrophobicContact CD1-CD1 4.31Å; L257-F259 HydrophobicContact CD1-CE1 3.98Å; L257-F259 HydrophobicContact CD1-CE2 4.41Å; L257-F259 HydrophobicContact CD1-CZ 4.05Å; L257-F259 HydrophobicContact CD2-CE1 3.93Å; L257-F259 HydrophobicContact CD2-CE2 3.84Å; L257-F259 HydrophobicContact CD2-CZ 3.3Å; L257-F259 HydrophobicContact CG-CD2 4.37Å; L257-F259 HydrophobicContact CG-CE1 4.07Å; L257-F259 HydrophobicContact CG-CE2 3.76Å; L257-F259 HydrophobicContact CG-CZ 3.6Å
258	K	93.8	Very high	93.3	Very high	79 Å²	79	47.1 Å²	47.1	34%	0.343	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.3	174.3	-37.6	-166.4	170.5	-176.7	0	110.3	C197 N198 R238 T239 I256	C197-K258 CarbonylContact O-C 3.45Å; C197-K258 WeakPolarHBondContact O-CA 3.46Å; N198-K258 WeakPolarHBondContact OD1-CD 3.43Å; N198-K258 WeakPolarHBondContact OD1-CE 3.41Å; N198-K258 WeakPolarHBondContact OD1-CG 3.32Å; R238-K258 CarbonylContact C-O 3.59Å; R238-K258 WeakPolarHBondContact CA-O 3.34Å; T239-K258 PolarHBondContact N-O 2.99Å; T239-K258 PolarHBondContact O-N 3.43Å; T239-K258 WeakPolarHBondContact OG1-CB 3.23Å; T239-K258 WeakPolarHBondContact OG1-CG 3.33Å; I256-K258 HydrophobicContact CG2-CG 4.08Å
259	F	92.5	Very high	93.2	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.8	170.1	-56.3	-79.5	0	0	0	109.1	V91 Y104 I106 A196 C197 L199 F235 L257	V91-F259 HydrophobicContact CG2-CE1 4.05Å; V91-F259 HydrophobicContact CG2-CZ 3.98Å; Y104-F259 HydrophobicContact CE2-CD2 4.32Å; Y104-F259 HydrophobicContact CE2-CE2 4.33Å; I106-F259 HydrophobicContact CD1-CE1 4.27Å; I106-F259 HydrophobicContact CD1-CE2 3.6Å; I106-F259 HydrophobicContact CD1-CZ 3.37Å; A196-F259 CarbonylContact C-O 3.51Å; A196-F259 WeakPolarHBondContact CA-O 3.35Å; C197-F259 PolarHBondContact N-O 2.85Å; C197-F259 PolarHBondContact O-N 3.49Å; L199-F259 HydrophobicContact CB-CE2 4.19Å; F235-F259 HydrophobicContact CE2-CD1 4.27Å; L257-F259 HydrophobicContact CD1-CD1 4.31Å; L257-F259 HydrophobicContact CD1-CE1 3.98Å; L257-F259 HydrophobicContact CD1-CE2 4.41Å; L257-F259 HydrophobicContact CD1-CZ 4.05Å; L257-F259 HydrophobicContact CD2-CE1 3.93Å; L257-F259 HydrophobicContact CD2-CE2 3.84Å; L257-F259 HydrophobicContact CD2-CZ 3.3Å; L257-F259 HydrophobicContact CG-CD2 4.37Å; L257-F259 HydrophobicContact CG-CE1 4.07Å; L257-F259 HydrophobicContact CG-CE2 3.76Å; L257-F259 HydrophobicContact CG-CZ 3.6Å
260	Q	93.6	Very high	93.2	Very high	93 Å²	93	41.2 Å²	41.2	44%	0.435	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.4	171.5	-69.2	-177.3	-31.2	0	0	109.1	Q195 L236 G237	Q195-Q260 WeakPolarHBondContact O-CA 3.41Å; L236-Q260 HydrophobicContact CB-CB 4.16Å; L236-Q260 PolarHBondContact N-O 2.77Å; G237-Q260 PolarHBondContact N-O 3.42Å; G237-Q260 PolarHBondContact O-N 2.82Å
261	V	93.1	Very high	92.9	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.9	-179.3	-59.7	0	0	0	0	110.7	I97 K194 Q195 I230 F233 T234	I97-V261 HydrophobicContact CD1-CG2 3.99Å; K194-V261 CarbonylContact C-O 3.6Å; K194-V261 WeakPolarHBondContact CA-O 3.42Å; Q195-V261 HydrophobicContact CB-CG2 3.87Å; Q195-V261 PolarHBondContact N-O 3.24Å; Q195-V261 PolarHBondContact O-N 2.89Å; I230-V261 HydrophobicContact CD1-CG1 3.7Å; F233-V261 HydrophobicContact CB-CB 4.28Å; F233-V261 HydrophobicContact CD1-CB 4.17Å; F233-V261 HydrophobicContact CD1-CG2 3.78Å; F233-V261 HydrophobicContact CE1-CG2 4.23Å; F233-V261 HydrophobicContact CG-CG2 4.39Å; T234-V261 CarbonylContact O-C 3.19Å; T234-V261 VanDerWaalsContact O-CA 3.26Å; T234-V261 WeakPolarHBondContact O-CA 3.11Å
262	Q	92.6	Very high	92.8	Very high	66 Å²	66	44.8 Å²	44.8	31%	0.308	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131	178.1	171.4	175.4	-21.9	0	0	110.1	K194 F233 T234 L236	K194-Q262 HydrophobicContact CG-CB 4.17Å; K194-Q262 HydrophobicContact CG-CG 4.21Å; F233-Q262 WeakPolarHBondContact CA-O 3.41Å; T234-Q262 PolarHBondContact N-O 2.98Å; T234-Q262 PolarHBondContact O-N 3.38Å; T234-Q262 PolarHBondContact OG1-O 3.28Å; L236-Q262 HydrophobicContact CD1-CB 3.84Å; L236-Q262 HydrophobicContact CD2-CB 4.09Å; L236-Q262 HydrophobicContact CG-CB 3.91Å
263	R	92.3	Very high	92.6	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.2	-177.5	-168.5	179.9	-57.2	-82.7	-4.6	112.4	E99 P191 D193 F233 V265 Y268	E99-R263 IonicContact OE1-CZ 3.36Å; E99-R263 IonicContact OE1-NH1 2.86Å; E99-R263 PolarHBondContact OE1-NH1 3Å; E99-R263 IonicContact OE1-NH2 2.66Å; E99-R263 PolarHBondContact OE1-NH2 3.16Å; P191-R263 WeakPolarHBondContact O-CD 3.33Å; D193-R263 PolarHBondContact O-N 3.49Å; D193-R263 WeakPolarHBondContact OD1-CD 3.19Å; D193-R263 IonicContact OD1-CZ 2.7Å; D193-R263 IonicContact OD1-NE 3.28Å; D193-R263 PolarHBondContact OD1-NE 3.29Å; D193-R263 IonicContact OD1-NH2 3.8Å; D193-R263 IonicContact OD2-CZ 3.49Å; D193-R263 IonicContact OD2-NE 3.94Å; D193-R263 PolarHBondContact OD2-NE 3.49Å; D193-R263 IonicContact OD2-NH2 3.63Å; D193-R263 PolarHBondContact OD2-NH2 3.25Å; F233-R263 HydrophobicContact CD1-CB 4.15Å; F233-R263 HydrophobicContact CE1-CB 4.01Å; F233-R263 HydrophobicContact CE1-CG 4.41Å; R263-V265 PolarHBondContact O-N 3.47Å; R263-Y268 HydrophobicContact CG-CE2 4.23Å
264	E	90.8	Very high	92.5	Very high	90 Å²	90	50.8 Å²	50.8	42%	0.421	25%	0.247	S	C	.	.			trans	-82.4	108.4	170.3	-67.9	-155.9	160.3	0	0	112	Q232 T234 N266	Q232-E264 PolarHBondContact O-N 2.85Å; T234-E264 HydrophobicContact CG2-CG 3.97Å; E264-N266 PolarHBondContact O-N 2.69Å
265	V	90.4	Very high	92.4	Very high	23 Å²	23	51.2 Å²	51.2	14%	0.139	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.3	-177.7	-160.5	0	0	0	0	112.7	P191 M192 R263 S267 Y268 L269	P191-V265 HydrophobicContact CG-CG1 4.34Å; M192-V265 HydrophobicContact CG-CG1 4.15Å; M192-V265 HydrophobicContact CG-CG2 3.94Å; R263-V265 PolarHBondContact O-N 3.47Å; V265-S267 VanDerWaalsContact C-N 3.31Å; V265-S267 PolarHBondContact O-N 3.21Å; V265-Y268 PolarHBondContact O-N 2.85Å; V265-L269 HydrophobicContact CG1-CG 4.32Å; V265-L269 PolarHBondContact O-N 3.38Å
266	N	89.5	Confident	92.4	Very high	108 Å²	108	51.2 Å²	51.2	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-54.3	-39.7	-171.8	-67.4	-27	0	0	0	114.3	E264	E264-N266 PolarHBondContact O-N 2.69Å
267	S	89.2	Confident	92.3	Very high	53 Å²	53	51.5 Å²	51.5	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-66.3	-45	177.8	-169.4	0	0	0	0	111.5	V265 L269 V270 Q271	V265-S267 VanDerWaalsContact C-N 3.31Å; V265-S267 PolarHBondContact O-N 3.21Å; S267-L269 PolarHBondContact O-N 3.48Å; S267-V270 PolarHBondContact O-N 3.34Å; S267-Q271 WeakPolarHBondContact O-CB 3.43Å; S267-Q271 WeakPolarHBondContact O-CG 3.49Å; S267-Q271 PolarHBondContact O-N 2.93Å; S267-Q271 PolarHBondContact OG-NE2 3.43Å; S267-Q271 VanDerWaalsContact OG-NE2 3.12Å
268	Y	91.2	Very high	92.3	Very high	28 Å²	28	55.2 Å²	55.2	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-31.1	179.6	-60.3	-85	0	0	0	112.8	F190 P191 Q232 R263 V265 V270 V272 Y273	F190-Y268 HydrophobicContact CE1-CE1 4.12Å; F190-Y268 HydrophobicContact CE2-CE1 4.42Å; F190-Y268 HydrophobicContact CZ-CD1 4.31Å; F190-Y268 AromaticContact CZ-CE1 3.51Å; F190-Y268 HydrophobicContact CZ-CE1 3.51Å; F190-Y268 AromaticContact CZ-CZ 3.69Å; P191-Y268 HydrophobicContact CB-CD1 4.23Å; P191-Y268 HydrophobicContact CB-CD2 3.74Å; P191-Y268 HydrophobicContact CB-CE2 4.06Å; P191-Y268 HydrophobicContact CB-CG 3.83Å; P191-Y268 HydrophobicContact CG-CD2 4.3Å; P191-Y268 HydrophobicContact CG-CG 4.01Å; Q232-Y268 PolarHBondContact OE1-OH 2.98Å; R263-Y268 HydrophobicContact CG-CE2 4.23Å; V265-Y268 PolarHBondContact O-N 2.85Å; Y268-V270 VanDerWaalsContact C-N 3.35Å; Y268-V270 PolarHBondContact O-N 2.94Å; Y268-V272 HydrophobicContact CD1-CG2 4.49Å; Y268-V272 WeakPolarHBondContact O-CA 3.49Å; Y268-V272 WeakPolarHBondContact O-CB 3.44Å; Y268-V272 PolarHBondContact O-N 3.44Å; Y268-Y273 PolarHBondContact O-N 3.06Å; Y268-Y273 VanDerWaalsContact O-N 3.16Å
269	L	91.6	Very high	92.4	Very high	65 Å²	65	52 Å²	52	34%	0.34	26%	0.263	S	S	.	.	I	π-helix	trans	-55.6	-49.1	172.2	-79.5	173.1	0	0	0	111.7	V265 S267 Y273 W274 W627	V265-L269 HydrophobicContact CG1-CG 4.32Å; V265-L269 PolarHBondContact O-N 3.38Å; S267-L269 PolarHBondContact O-N 3.48Å; L269-Y273 HydrophobicContact CD2-CD2 4.25Å; L269-Y273 HydrophobicContact CD2-CG 4.5Å; L269-W274 WeakPolarHBondContact O-CB 3.28Å; L269-W274 PolarHBondContact O-N 2.98Å; L269-W627 HydrophobicContact CD2-CH2 3.36Å; L269-W627 HydrophobicContact CD2-CZ2 3.86Å; L269-W627 HydrophobicContact CD2-CZ3 4.11Å; L269-W627 HydrophobicContact CG-CH2 4.49Å
270	V	91.3	Very high	92.4	Very high	106 Å²	106	51.9 Å²	51.9	64%	0.642	26%	0.262	S	S	*	.	I	π-helix	trans	-79.8	-37.9	-177.4	-177.1	0	0	0	0	112	S267 Y268 P275	S267-V270 PolarHBondContact O-N 3.34Å; Y268-V270 VanDerWaalsContact C-N 3.35Å; Y268-V270 PolarHBondContact O-N 2.94Å; V270-P275 VanDerWaalsContact O-CD 3.29Å; V270-P275 WeakPolarHBondContact O-CD 3.49Å
271	Q	89.7	Confident	92.4	Very high	111 Å²	111	51 Å²	51	52%	0.519	26%	0.26	S	S	.	.	I	π-helix	trans	-82.8	-25.2	-175.8	-66	-175.5	26.6	0	0	114.5	S267	S267-Q271 WeakPolarHBondContact O-CB 3.43Å; S267-Q271 WeakPolarHBondContact O-CG 3.49Å; S267-Q271 PolarHBondContact O-N 2.93Å; S267-Q271 PolarHBondContact OG-NE2 3.43Å; S267-Q271 VanDerWaalsContact OG-NE2 3.12Å
272	V	92.3	Very high	92.3	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	28%	0.276	C	S	.	.	I	π-helix	trans	-126.6	-60.5	-173.1	-173.9	0	0	0	0	112.6	Y268 W274 P275 T276 I311 L315 I328 I332	Y268-V272 HydrophobicContact CD1-CG2 4.49Å; Y268-V272 WeakPolarHBondContact O-CA 3.49Å; Y268-V272 WeakPolarHBondContact O-CB 3.44Å; Y268-V272 PolarHBondContact O-N 3.44Å; V272-W274 PolarHBondContact O-N 2.84Å; V272-P275 WeakPolarHBondContact O-CD 3.26Å; V272-T276 HydrophobicContact CG1-CG2 4.43Å; V272-T276 WeakPolarHBondContact O-CB 3.39Å; V272-T276 WeakPolarHBondContact O-CG2 3.36Å; V272-T276 PolarHBondContact O-N 2.9Å; V272-T276 PolarHBondContact O-OG1 2.9Å; V272-I311 HydrophobicContact CG1-CG2 4.05Å; V272-L315 HydrophobicContact CG1-CD1 3.74Å; V272-L315 HydrophobicContact CG2-CD1 4.01Å; V272-L315 HydrophobicContact CG2-CD2 3.87Å; V272-L315 HydrophobicContact CG2-CG 4.35Å; V272-I328 HydrophobicContact CG1-CD1 4.08Å; V272-I328 HydrophobicContact CG1-CG1 4.4Å; V272-I328 HydrophobicContact CG2-CD1 4.41Å; V272-I332 HydrophobicContact CG1-CD1 4.21Å
273	Y	93.3	Very high	92.4	Very high	6 Å²	6	50.5 Å²	50.5	2%	0.024	26%	0.261	C	S	.	.	I	π-helix	trans	-65.2	-43.5	-170.9	-71.1	-80.2	0	0	0	111.5	P191 Y268 L269 T276 V277 Y331 Y626 W627	P191-Y273 WeakPolarHBondContact CD-OH 3.16Å; P191-Y273 HydrophobicContact CG-CE2 4.08Å; Y268-Y273 PolarHBondContact O-N 3.06Å; Y268-Y273 VanDerWaalsContact O-N 3.16Å; L269-Y273 HydrophobicContact CD2-CD2 4.25Å; L269-Y273 HydrophobicContact CD2-CG 4.5Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.18Å; Y273-T276 PolarHBondContact O-N 2.94Å; Y273-T276 PolarHBondContact O-OG1 3.43Å; Y273-T276 VanDerWaalsContact O-OG1 3.08Å; Y273-V277 WeakPolarHBondContact O-CB 3.42Å; Y273-V277 VanDerWaalsContact O-CG2 3.24Å; Y273-V277 WeakPolarHBondContact O-CG2 3.35Å; Y273-V277 PolarHBondContact O-N 3.47Å; Y273-Y331 AromaticContact CD1-CD1 3.73Å; Y273-Y331 HydrophobicContact CD1-CD1 3.73Å; Y273-Y331 HydrophobicContact CD1-CD2 4.36Å; Y273-Y331 AromaticContact CD1-CE1 3.6Å; Y273-Y331 HydrophobicContact CD1-CE1 3.6Å; Y273-Y331 HydrophobicContact CD1-CE2 4.24Å; Y273-Y331 HydrophobicContact CD1-CG 4.13Å; Y273-Y331 AromaticContact CD1-CZ 3.87Å; Y273-Y331 AromaticContact CE1-CD1 3.8Å; Y273-Y331 HydrophobicContact CE1-CD1 3.8Å; Y273-Y331 HydrophobicContact CE1-CD2 4.04Å; Y273-Y331 HydrophobicContact CE1-CE1 4.12Å; Y273-Y331 HydrophobicContact CE1-CE2 4.33Å; Y273-Y331 AromaticContact CE1-CG 3.77Å; Y273-Y331 HydrophobicContact CE1-CG 3.77Å; Y273-Y626 AromaticContact CE1-CE1 3.69Å; Y273-Y626 HydrophobicContact CE1-CE1 3.69Å; Y273-Y626 PolarHBondContact OH-OH 2.88Å; Y273-W627 HydrophobicContact CD1-CH2 4.15Å; Y273-W627 AromaticContact CD1-CZ2 3.65Å; Y273-W627 HydrophobicContact CD1-CZ2 3.65Å; Y273-W627 HydrophobicContact CD2-CH2 4.06Å; Y273-W627 HydrophobicContact CD2-CZ2 4.29Å; Y273-W627 HydrophobicContact CE1-CH2 4.15Å; Y273-W627 AromaticContact CE1-CZ2 3.91Å; Y273-W627 HydrophobicContact CE1-CZ2 3.91Å; Y273-W627 HydrophobicContact CE2-CH2 4.05Å; Y273-W627 HydrophobicContact CG-CH2 4.11Å; Y273-W627 AromaticContact CG-CZ2 3.85Å; Y273-W627 HydrophobicContact CG-CZ2 3.85Å
274	W	93.8	Very high	92.3	Very high	168 Å²	168	51.8 Å²	51.8	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-48.5	178.9	-174.7	-100.2	0	0	0	113.2	L269 V272 T276 V277 L278	L269-W274 WeakPolarHBondContact O-CB 3.28Å; L269-W274 PolarHBondContact O-N 2.98Å; V272-W274 PolarHBondContact O-N 2.84Å; W274-T276 PolarHBondContact O-N 2.66Å; W274-V277 PolarHBondContact O-N 3.42Å; W274-L278 HydrophobicContact CG-CD1 4.47Å; W274-L278 WeakPolarHBondContact O-CB 3.11Å; W274-L278 WeakPolarHBondContact O-CG 3.4Å; W274-L278 PolarHBondContact O-N 3.35Å
275	P	94.6	Very high	92.1	Very high	40 Å²	40	51.8 Å²	51.8	26%	0.26	27%	0.268	S	S	.	.	H	α-helix	trans	-58.6	-41	171.6	-29	36.6	0	0	0	114.9	V270 V272 L278 T279 I311	V270-P275 VanDerWaalsContact O-CD 3.29Å; V270-P275 WeakPolarHBondContact O-CD 3.49Å; V272-P275 WeakPolarHBondContact O-CD 3.26Å; P275-L278 PolarHBondContact O-N 3.47Å; P275-T279 WeakPolarHBondContact O-CB 3.25Å; P275-T279 PolarHBondContact O-N 3.12Å; P275-T279 PolarHBondContact O-OG1 3.4Å; P275-I311 HydrophobicContact CB-CD1 4.08Å
276	T	94.8	Very high	92	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-38.5	-179.6	51.9	0	0	0	0	112.8	V272 Y273 W274 T280 L308 I311 I332	V272-T276 HydrophobicContact CG1-CG2 4.43Å; V272-T276 WeakPolarHBondContact O-CB 3.39Å; V272-T276 WeakPolarHBondContact O-CG2 3.36Å; V272-T276 PolarHBondContact O-N 2.9Å; V272-T276 PolarHBondContact O-OG1 2.9Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.18Å; Y273-T276 PolarHBondContact O-N 2.94Å; Y273-T276 PolarHBondContact O-OG1 3.43Å; Y273-T276 VanDerWaalsContact O-OG1 3.08Å; W274-T276 PolarHBondContact O-N 2.66Å; T276-T280 WeakPolarHBondContact O-CB 3.47Å; T276-T280 PolarHBondContact O-N 2.84Å; T276-T280 PolarHBondContact O-OG1 3.16Å; T276-L308 HydrophobicContact CG2-CD2 3.59Å; T276-I311 HydrophobicContact CG2-CD1 3.88Å; T276-I311 HydrophobicContact CG2-CG2 4.01Å; T276-I332 HydrophobicContact CG2-CG1 4.38Å
277	V	94.5	Very high	91.9	Very high	29 Å²	29	45.8 Å²	45.8	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-50.8	169.6	166.9	0	0	0	0	110.9	Y273 W274 T279 T280 I281 Y331 F619	Y273-V277 WeakPolarHBondContact O-CB 3.42Å; Y273-V277 VanDerWaalsContact O-CG2 3.24Å; Y273-V277 WeakPolarHBondContact O-CG2 3.35Å; Y273-V277 PolarHBondContact O-N 3.47Å; W274-V277 PolarHBondContact O-N 3.42Å; V277-T279 PolarHBondContact O-N 2.92Å; V277-T280 PolarHBondContact O-N 2.89Å; V277-I281 HydrophobicContact CG1-CD1 3.7Å; V277-I281 WeakPolarHBondContact O-CG1 3.44Å; V277-I281 PolarHBondContact O-N 3.31Å; V277-Y331 WeakPolarHBondContact CG2-OH 3.49Å; V277-F619 HydrophobicContact CG1-CE1 4.35Å; V277-F619 HydrophobicContact CG2-CE1 4.27Å; V277-F619 HydrophobicContact CG2-CZ 4.16Å
278	L	94.3	Very high	91.8	Very high	78 Å²	78	51.6 Å²	51.6	41%	0.408	25%	0.25	S	C	.	.	H	α-helix	trans	-60.5	-44.1	179.4	-74.6	179.8	0	0	0	112.1	W274 P275 T280 I281 T282	W274-L278 HydrophobicContact CG-CD1 4.47Å; W274-L278 WeakPolarHBondContact O-CB 3.11Å; W274-L278 WeakPolarHBondContact O-CG 3.4Å; W274-L278 PolarHBondContact O-N 3.35Å; P275-L278 PolarHBondContact O-N 3.47Å; L278-T280 VanDerWaalsContact C-N 3.32Å; L278-T280 PolarHBondContact O-N 2.86Å; L278-I281 PolarHBondContact O-N 3.34Å; L278-T282 WeakPolarHBondContact O-CG2 3.39Å; L278-T282 PolarHBondContact O-N 3.12Å; L278-T282 PolarHBondContact O-OG1 2.96Å
279	T	94.5	Very high	91.5	Very high	12 Å²	12	52.6 Å²	52.6	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-42.7	177.8	-56.3	0	0	0	0	111.3	P275 V277 T282 S283 I307 L308	P275-T279 WeakPolarHBondContact O-CB 3.25Å; P275-T279 PolarHBondContact O-N 3.12Å; P275-T279 PolarHBondContact O-OG1 3.4Å; V277-T279 PolarHBondContact O-N 2.92Å; T279-T282 WeakPolarHBondContact CA-OG1 3.26Å; T279-T282 PolarHBondContact O-N 3.13Å; T279-T282 PolarHBondContact O-OG1 3.49Å; T279-S283 PolarHBondContact O-N 3.38Å; T279-S283 VanDerWaalsContact O-N 3.14Å; T279-I307 HydrophobicContact CG2-CB 4.09Å; T279-I307 HydrophobicContact CG2-CG2 3.92Å; T279-I307 WeakPolarHBondContact OG1-CG2 3.39Å; T279-L308 HydrophobicContact CG2-CD2 4.21Å; T279-L308 HydrophobicContact CG2-CG 3.99Å
280	T	94.2	Very high	90.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-44.3	176.1	-52.9	0	0	0	0	111	T276 V277 L278 T282 S283 W284 F338 F619	T276-T280 WeakPolarHBondContact O-CB 3.47Å; T276-T280 PolarHBondContact O-N 2.84Å; T276-T280 PolarHBondContact O-OG1 3.16Å; V277-T280 PolarHBondContact O-N 2.89Å; L278-T280 VanDerWaalsContact C-N 3.32Å; L278-T280 PolarHBondContact O-N 2.86Å; T280-T282 PolarHBondContact O-N 3.31Å; T280-S283 WeakPolarHBondContact O-CB 3.29Å; T280-S283 PolarHBondContact O-N 3.25Å; T280-S283 PolarHBondContact O-OG 2.97Å; T280-W284 HydrophobicContact CG2-CZ2 3.98Å; T280-W284 PolarHBondContact O-NE1 3.32Å; T280-F338 HydrophobicContact CG2-CB 3.97Å; T280-F619 HydrophobicContact CG2-CD2 4.03Å; T280-F619 HydrophobicContact CG2-CE2 3.83Å; T280-F619 HydrophobicContact CG2-CG 4.47Å; T280-F619 HydrophobicContact CG2-CZ 4.09Å
281	I	92.6	Very high	90.2	Very high	74 Å²	74	54.3 Å²	54.3	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-39.7	175.7	-67	166.8	0	0	0	111.5	V277 L278 S283 W284	V277-I281 HydrophobicContact CG1-CD1 3.7Å; V277-I281 WeakPolarHBondContact O-CG1 3.44Å; V277-I281 PolarHBondContact O-N 3.31Å; L278-I281 PolarHBondContact O-N 3.34Å; I281-S283 VanDerWaalsContact C-N 3.26Å; I281-S283 PolarHBondContact O-N 3.05Å; I281-W284 HydrophobicContact CB-CE3 4.43Å; I281-W284 HydrophobicContact CB-CZ3 4.48Å; I281-W284 HydrophobicContact CG1-CE3 4.25Å; I281-W284 HydrophobicContact CG1-CH2 4.09Å; I281-W284 HydrophobicContact CG1-CZ3 3.81Å; I281-W284 HydrophobicContact CG2-CE3 4.43Å; I281-W284 WeakPolarHBondContact O-CB 3.47Å; I281-W284 PolarHBondContact O-N 3.46Å; I281-W284 VanDerWaalsContact O-N 3.14Å
282	T	91.9	Very high	89.5	Confident	60 Å²	60	54.1 Å²	54.1	37%	0.368	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-29	177.6	50.7	0	0	0	0	112.9	L278 T279 T280 W284 I285 I300	L278-T282 WeakPolarHBondContact O-CG2 3.39Å; L278-T282 PolarHBondContact O-N 3.12Å; L278-T282 PolarHBondContact O-OG1 2.96Å; T279-T282 WeakPolarHBondContact CA-OG1 3.26Å; T279-T282 PolarHBondContact O-N 3.13Å; T279-T282 PolarHBondContact O-OG1 3.49Å; T280-T282 PolarHBondContact O-N 3.31Å; T282-W284 PolarHBondContact O-N 3.31Å; T282-I285 HydrophobicContact CG2-CD1 4.11Å; T282-I285 VanDerWaalsContact O-CB 3.31Å; T282-I285 WeakPolarHBondContact O-CB 3.39Å; T282-I285 WeakPolarHBondContact O-CG1 3.24Å; T282-I285 PolarHBondContact O-N 3Å; T282-I300 WeakPolarHBondContact O-CG2 3.34Å
283	S	92.9	Very high	89.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-34.7	174.1	79.5	0	0	0	0	112.3	T279 T280 I281 I285 S286	T279-S283 PolarHBondContact O-N 3.38Å; T279-S283 VanDerWaalsContact O-N 3.14Å; T280-S283 WeakPolarHBondContact O-CB 3.29Å; T280-S283 PolarHBondContact O-N 3.25Å; T280-S283 PolarHBondContact O-OG 2.97Å; I281-S283 VanDerWaalsContact C-N 3.26Å; I281-S283 PolarHBondContact O-N 3.05Å; S283-I285 PolarHBondContact O-N 3.12Å; S283-S286 VanDerWaalsContact O-CB 3.31Å; S283-S286 WeakPolarHBondContact O-CB 3.44Å; S283-S286 PolarHBondContact O-N 3.5Å; S283-S286 PolarHBondContact O-OG 3.12Å
284	W	90	Very high	88.6	Confident	31 Å²	31	58.6 Å²	58.6	12%	0.117	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-73.3	-10.7	-180	-49.1	-20	0	0	0	113.9	T280 I281 T282 S286 F287 P616 F619	T280-W284 HydrophobicContact CG2-CZ2 3.98Å; T280-W284 PolarHBondContact O-NE1 3.32Å; I281-W284 HydrophobicContact CB-CE3 4.43Å; I281-W284 HydrophobicContact CB-CZ3 4.48Å; I281-W284 HydrophobicContact CG1-CE3 4.25Å; I281-W284 HydrophobicContact CG1-CH2 4.09Å; I281-W284 HydrophobicContact CG1-CZ3 3.81Å; I281-W284 HydrophobicContact CG2-CE3 4.43Å; I281-W284 WeakPolarHBondContact O-CB 3.47Å; I281-W284 PolarHBondContact O-N 3.46Å; I281-W284 VanDerWaalsContact O-N 3.14Å; T282-W284 PolarHBondContact O-N 3.31Å; W284-S286 PolarHBondContact O-N 3.2Å; W284-F287 HydrophobicContact CB-CD2 3.8Å; W284-F287 HydrophobicContact CB-CE2 3.77Å; W284-F287 AromaticContact CD1-CE2 3.78Å; W284-F287 HydrophobicContact CG-CD2 4.44Å; W284-F287 AromaticContact CG-CE2 3.93Å; W284-F287 HydrophobicContact CG-CE2 3.93Å; W284-F287 WeakPolarHBondContact O-CD2 3.37Å; W284-F287 PolarHBondContact O-N 3.41Å; W284-P616 HydrophobicContact CD2-CG 4.45Å; W284-P616 HydrophobicContact CE3-CB 4.32Å; W284-P616 HydrophobicContact CE3-CG 3.8Å; W284-P616 HydrophobicContact CH2-CB 4.27Å; W284-P616 HydrophobicContact CZ3-CB 3.82Å; W284-P616 HydrophobicContact CZ3-CG 3.83Å; W284-F619 HydrophobicContact CH2-CB 3.77Å; W284-F619 AromaticContact CH2-CD1 3.65Å; W284-F619 HydrophobicContact CH2-CD1 3.65Å; W284-F619 AromaticContact CH2-CG 3.94Å; W284-F619 HydrophobicContact CH2-CG 3.94Å; W284-F619 HydrophobicContact CZ2-CB 3.59Å; W284-F619 AromaticContact CZ2-CD1 3.88Å; W284-F619 HydrophobicContact CZ2-CD1 3.88Å; W284-F619 AromaticContact CZ2-CG 3.76Å; W284-F619 HydrophobicContact CZ2-CG 3.76Å
285	I	88.2	Confident	88.3	Confident	90 Å²	90	53.9 Å²	53.9	46%	0.462	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-63.1	-26.7	172	-59.8	174.1	0	0	0	110.1	T282 S283 F287 W288 M289	T282-I285 HydrophobicContact CG2-CD1 4.11Å; T282-I285 VanDerWaalsContact O-CB 3.31Å; T282-I285 WeakPolarHBondContact O-CB 3.39Å; T282-I285 WeakPolarHBondContact O-CG1 3.24Å; T282-I285 PolarHBondContact O-N 3Å; S283-I285 PolarHBondContact O-N 3.12Å; I285-F287 VanDerWaalsContact C-N 3.29Å; I285-F287 PolarHBondContact O-N 2.91Å; I285-W288 PolarHBondContact O-N 3.08Å; I285-M289 PolarHBondContact O-N 2.84Å
286	S	88.1	Confident	88	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.028	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.5	-42.6	173	62.6	0	0	0	0	112.9	S283 W284 W288 M289 R297	S283-S286 VanDerWaalsContact O-CB 3.31Å; S283-S286 WeakPolarHBondContact O-CB 3.44Å; S283-S286 PolarHBondContact O-N 3.5Å; S283-S286 PolarHBondContact O-OG 3.12Å; W284-S286 PolarHBondContact O-N 3.2Å; S286-W288 PolarHBondContact O-N 3.23Å; S286-M289 PolarHBondContact O-N 3.4Å; S286-R297 PolarHBondContact O-NE 3.45Å; S286-R297 VanDerWaalsContact O-NE 3.08Å
287	F	87.3	Confident	87.7	Confident	1 Å²	1	54 Å²	54	0%	0.004	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-64.6	-20.1	179.2	-48	-43.6	0	0	0	113.5	W284 I285 E345 R612 F615	W284-F287 HydrophobicContact CB-CD2 3.8Å; W284-F287 HydrophobicContact CB-CE2 3.77Å; W284-F287 AromaticContact CD1-CE2 3.78Å; W284-F287 HydrophobicContact CG-CD2 4.44Å; W284-F287 AromaticContact CG-CE2 3.93Å; W284-F287 HydrophobicContact CG-CE2 3.93Å; W284-F287 WeakPolarHBondContact O-CD2 3.37Å; W284-F287 PolarHBondContact O-N 3.41Å; I285-F287 VanDerWaalsContact C-N 3.29Å; I285-F287 PolarHBondContact O-N 2.91Å; F287-E345 HydrophobicContact CE1-CB 4.17Å; F287-E345 HydrophobicContact CE1-CG 4.19Å; F287-R612 HydrophobicContact CB-CG 3.83Å; F287-R612 PolarHBondContact O-NE 3.4Å; F287-R612 PolarHBondContact O-NH2 3.16Å; F287-F615 HydrophobicContact CE1-CZ 4.48Å; F287-F615 HydrophobicContact CE2-CB 4.01Å; F287-F615 HydrophobicContact CE2-CD1 4.06Å; F287-F615 HydrophobicContact CE2-CD2 4Å; F287-F615 HydrophobicContact CE2-CE2 4.45Å; F287-F615 AromaticContact CE2-CG 3.79Å; F287-F615 HydrophobicContact CE2-CG 3.79Å; F287-F615 AromaticContact CZ-CD1 3.81Å; F287-F615 HydrophobicContact CZ-CD1 3.81Å; F287-F615 AromaticContact CZ-CD2 3.86Å; F287-F615 HydrophobicContact CZ-CD2 3.86Å; F287-F615 AromaticContact CZ-CE1 3.8Å; F287-F615 HydrophobicContact CZ-CE1 3.8Å; F287-F615 AromaticContact CZ-CE2 3.84Å; F287-F615 HydrophobicContact CZ-CE2 3.84Å; F287-F615 AromaticContact CZ-CG 3.84Å; F287-F615 HydrophobicContact CZ-CG 3.84Å; F287-F615 AromaticContact CZ-CZ 3.81Å; F287-F615 HydrophobicContact CZ-CZ 3.81Å
288	W	85.9	Confident	87.6	Confident	175 Å²	175	54.8 Å²	54.8	66%	0.663	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-93	-19	178.9	-72.3	90.3	0	0	0	113.4	I285 S286 R612	I285-W288 PolarHBondContact O-N 3.08Å; S286-W288 PolarHBondContact O-N 3.23Å; W288-R612 HydrophobicContact CZ2-CG 4.34Å
289	M	84.9	Confident	87.5	Confident	49 Å²	49	55 Å²	55	24%	0.241	30%	0.3	C	S	.	.	S	Bend	trans	-84.1	150.1	-179.7	-173.2	156.4	51.7	0	0	111.4	I285 S286 A296 R297 I300	I285-M289 PolarHBondContact O-N 2.84Å; S286-M289 PolarHBondContact O-N 3.4Å; M289-A296 VanDerWaalsContact CE-C 3.43Å; M289-A296 HydrophobicContact CE-CB 3.49Å; M289-A296 VanDerWaalsContact CE-CB 3.49Å; M289-A296 HydrophobicContact SD-CB 3.57Å; M289-A296 VanDerWaalsContact SD-CB 3.57Å; M289-R297 HydrophobicContact CE-CB 4.41Å; M289-R297 HydrophobicContact CE-CG 3.86Å; M289-R297 PolarHBondContact O-NE 3.45Å; M289-R297 PolarHBondContact O-NH2 2.85Å; M289-I300 HydrophobicContact CE-CD1 3.67Å
290	N	80.4	Confident	87.4	Confident	114 Å²	114	56.3 Å²	56.3	61%	0.61	31%	0.307	S	S	*	.			trans	-63.7	145.4	-179.5	-66.8	-23.6	0	0	0	111.9	D292 S293	N290-D292 PolarHBondContact O-N 2.95Å; N290-S293 PolarHBondContact O-N 3.49Å; N290-S293 VanDerWaalsContact O-N 3.16Å
291	Y	75.6	Confident	87.3	Confident	93 Å²	93	56.5 Å²	56.5	37%	0.365	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.7	179.6	66	-98	0	0	0	112.7	S293 F353 V604	Y291-S293 PolarHBondContact O-N 3.07Å; Y291-F353 HydrophobicContact CD2-CD2 4.41Å; Y291-F353 HydrophobicContact CD2-CE2 4.44Å; Y291-F353 HydrophobicContact CE2-CD2 4.1Å; Y291-F353 AromaticContact CE2-CE2 3.75Å; Y291-F353 HydrophobicContact CE2-CE2 3.75Å; Y291-F353 HydrophobicContact CE2-CZ 4.24Å; Y291-V604 HydrophobicContact CD1-CG1 4.44Å
292	D	75.6	Confident	87.3	Confident	108 Å²	108	57.3 Å²	57.3	58%	0.578	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.1	174.6	-58.3	-66.2	0	0	0	112.4	N290 S294	N290-D292 PolarHBondContact O-N 2.95Å; D292-S294 PolarHBondContact O-N 2.76Å
293	S	84.2	Confident	87.5	Confident	52 Å²	52	57.5 Å²	57.5	36%	0.364	31%	0.314	S	S	.	.			trans	-85.6	50.3	-179.9	-55.3	0	0	0	0	112.3	N290 Y291 A295 A296 R297	N290-S293 PolarHBondContact O-N 3.49Å; N290-S293 VanDerWaalsContact O-N 3.16Å; Y291-S293 PolarHBondContact O-N 3.07Å; S293-A295 PolarHBondContact O-N 3Å; S293-A296 PolarHBondContact O-N 3.08Å; S293-R297 PolarHBondContact O-N 2.8Å
294	S	82.3	Confident	87.6	Confident	52 Å²	52	57.6 Å²	57.6	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-45.2	-54.1	-176.7	53.7	0	0	0	0	113.9	D292 A296 R297 V298 Y346	D292-S294 PolarHBondContact O-N 2.76Å; S294-A296 VanDerWaalsContact C-N 3.28Å; S294-A296 PolarHBondContact O-N 3.44Å; S294-R297 PolarHBondContact O-N 3Å; S294-V298 WeakPolarHBondContact O-CG2 3.46Å; S294-V298 PolarHBondContact O-N 3.44Å; S294-Y346 WeakPolarHBondContact CB-OH 3.27Å
295	A	87.1	Confident	87.8	Confident	70 Å²	70	57.6 Å²	57.6	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-56.7	-39.9	-179.6	0	0	0	0	0	112.6	S293 T299	S293-A295 PolarHBondContact O-N 3Å; A295-T299 WeakPolarHBondContact O-CB 3.44Å; A295-T299 PolarHBondContact O-N 2.98Å; A295-T299 PolarHBondContact O-OG1 3.46Å
296	A	89	Confident	88.1	Confident	39 Å²	39	58.8 Å²	58.8	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-72.4	-39.7	-178.9	0	0	0	0	0	112.4	M289 S293 S294 I300	M289-A296 VanDerWaalsContact CE-C 3.43Å; M289-A296 HydrophobicContact CE-CB 3.49Å; M289-A296 VanDerWaalsContact CE-CB 3.49Å; M289-A296 HydrophobicContact SD-CB 3.57Å; M289-A296 VanDerWaalsContact SD-CB 3.57Å; S293-A296 PolarHBondContact O-N 3.08Å; S294-A296 VanDerWaalsContact C-N 3.28Å; S294-A296 PolarHBondContact O-N 3.44Å; A296-I300 WeakPolarHBondContact O-CG1 3.38Å; A296-I300 PolarHBondContact O-N 3.36Å; A296-I300 VanDerWaalsContact O-N 3.16Å
297	R	89.3	Confident	88.5	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.011	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-44.5	174.2	-77.4	-168.1	177.1	-146.3	9.2	110.9	S286 M289 S293 S294 G301 E345 Y346 D608	S286-R297 PolarHBondContact O-NE 3.45Å; S286-R297 VanDerWaalsContact O-NE 3.08Å; M289-R297 HydrophobicContact CE-CB 4.41Å; M289-R297 HydrophobicContact CE-CG 3.86Å; M289-R297 PolarHBondContact O-NE 3.45Å; M289-R297 PolarHBondContact O-NH2 2.85Å; S293-R297 PolarHBondContact O-N 2.8Å; S294-R297 PolarHBondContact O-N 3Å; R297-G301 PolarHBondContact O-N 3.07Å; R297-E345 IonicContact NH1-OE2 3.49Å; R297-E345 PolarHBondContact NH1-OE2 2.91Å; R297-Y346 HydrophobicContact CB-CD2 3.63Å; R297-Y346 HydrophobicContact CB-CE2 4Å; R297-Y346 HydrophobicContact CB-CG 3.95Å; R297-Y346 HydrophobicContact CG-CD2 4.13Å; R297-D608 IonicContact CZ-OD1 3.31Å; R297-D608 VanDerWaalsContact CZ-OD1 3.31Å; R297-D608 IonicContact NH1-OD1 2.91Å; R297-D608 PolarHBondContact NH1-OD1 3.41Å; R297-D608 VanDerWaalsContact NH2-CG 3.33Å; R297-D608 IonicContact NH2-OD1 2.78Å; R297-D608 PolarHBondContact NH2-OD1 3.13Å; R297-D608 IonicContact NH2-OD2 3.13Å; R297-D608 PolarHBondContact NH2-OD2 2.75Å; R297-D608 VanDerWaalsContact NH2-OD2 3.13Å
298	V	90.9	Very high	88.8	Confident	45 Å²	45	62.2 Å²	62.2	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-49.4	176.6	173.8	0	0	0	0	111.7	S294 I300 G301 L302 Y346	S294-V298 WeakPolarHBondContact O-CG2 3.46Å; S294-V298 PolarHBondContact O-N 3.44Å; V298-I300 PolarHBondContact O-N 3.06Å; V298-G301 PolarHBondContact O-N 3.38Å; V298-L302 HydrophobicContact CG1-CD1 3.61Å; V298-L302 HydrophobicContact CG1-CG 4.15Å; V298-L302 PolarHBondContact O-N 3.49Å; V298-Y346 HydrophobicContact CG2-CD1 3.85Å; V298-Y346 HydrophobicContact CG2-CE1 3.2Å
299	T	92.5	Very high	89.2	Confident	82 Å²	82	57 Å²	57	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-45.6	-178.4	-64.7	0	0	0	0	111.5	A295 G301 L302 T303	A295-T299 WeakPolarHBondContact O-CB 3.44Å; A295-T299 PolarHBondContact O-N 2.98Å; A295-T299 PolarHBondContact O-OG1 3.46Å; T299-G301 PolarHBondContact O-N 3.38Å; T299-L302 PolarHBondContact O-N 2.87Å; T299-T303 HydrophobicContact CG2-CG2 4.07Å; T299-T303 WeakPolarHBondContact O-CB 3.36Å; T299-T303 WeakPolarHBondContact O-CG2 3.4Å; T299-T303 PolarHBondContact O-N 3.44Å; T299-T303 PolarHBondContact O-OG1 2.84Å
300	I	92.9	Very high	89.6	Confident	41 Å²	41	58.4 Å²	58.4	21%	0.21	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-43.6	178.8	-69.3	172.5	0	0	0	111.6	T282 M289 A296 V298 T303 S304	T282-I300 WeakPolarHBondContact O-CG2 3.34Å; M289-I300 HydrophobicContact CE-CD1 3.67Å; A296-I300 WeakPolarHBondContact O-CG1 3.38Å; A296-I300 PolarHBondContact O-N 3.36Å; A296-I300 VanDerWaalsContact O-N 3.16Å; V298-I300 PolarHBondContact O-N 3.06Å; I300-T303 PolarHBondContact O-OG1 3.49Å; I300-S304 VanDerWaalsContact O-CB 3.25Å; I300-S304 WeakPolarHBondContact O-CB 3.35Å; I300-S304 PolarHBondContact O-N 3.34Å; I300-S304 VanDerWaalsContact O-N 3.08Å; I300-S304 PolarHBondContact O-OG 2.71Å
301	G	91.9	Very high	90.3	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-49.2	178.4	0	0	0	0	0	112.5	R297 V298 T299 S304 M305	R297-G301 PolarHBondContact O-N 3.07Å; V298-G301 PolarHBondContact O-N 3.38Å; T299-G301 PolarHBondContact O-N 3.38Å; G301-S304 PolarHBondContact O-N 3.11Å; G301-M305 WeakPolarHBondContact O-CG 3.34Å; G301-M305 PolarHBondContact O-N 3.25Å
302	L	93.6	Very high	91	Very high	92 Å²	92	51.2 Å²	51.2	48%	0.482	31%	0.307	S	S	.	.	H	α-helix	trans	-68.5	-38.8	-178.2	-66.7	179.7	0	0	0	113.1	V298 T299 M305 L306 L343	V298-L302 HydrophobicContact CG1-CD1 3.61Å; V298-L302 HydrophobicContact CG1-CG 4.15Å; V298-L302 PolarHBondContact O-N 3.49Å; T299-L302 PolarHBondContact O-N 2.87Å; L302-M305 HydrophobicContact CD2-SD 4.29Å; L302-M305 PolarHBondContact O-N 2.72Å; L302-L306 PolarHBondContact O-N 3.5Å; L302-L343 HydrophobicContact CD2-CD2 3.8Å; L302-L343 HydrophobicContact CG-CD2 4.49Å
303	T	94.6	Very high	91.7	Very high	63 Å²	63	48.2 Å²	48.2	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-69.3	-36.2	175.1	57.9	0	0	0	0	111.7	T299 I300 M305 L306 I307	T299-T303 HydrophobicContact CG2-CG2 4.07Å; T299-T303 WeakPolarHBondContact O-CB 3.36Å; T299-T303 WeakPolarHBondContact O-CG2 3.4Å; T299-T303 PolarHBondContact O-N 3.44Å; T299-T303 PolarHBondContact O-OG1 2.84Å; I300-T303 PolarHBondContact O-OG1 3.49Å; T303-M305 VanDerWaalsContact C-N 3.35Å; T303-M305 PolarHBondContact O-N 2.94Å; T303-L306 PolarHBondContact O-N 3.02Å; T303-I307 WeakPolarHBondContact O-CB 3.46Å; T303-I307 WeakPolarHBondContact O-CD1 3.43Å; T303-I307 VanDerWaalsContact O-CG1 3.22Å; T303-I307 WeakPolarHBondContact O-CG1 3.29Å; T303-I307 PolarHBondContact O-N 3.24Å
304	S	95.1	Very high	91.9	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-41.1	174.3	-59.9	0	0	0	0	111.8	I300 G301 L308	I300-S304 VanDerWaalsContact O-CB 3.25Å; I300-S304 WeakPolarHBondContact O-CB 3.35Å; I300-S304 PolarHBondContact O-N 3.34Å; I300-S304 VanDerWaalsContact O-N 3.08Å; I300-S304 PolarHBondContact O-OG 2.71Å; G301-S304 PolarHBondContact O-N 3.11Å; S304-L308 WeakPolarHBondContact O-CG 3.44Å; S304-L308 PolarHBondContact O-N 3.46Å; S304-L308 VanDerWaalsContact O-N 3.09Å
305	M	94.8	Very high	92.2	Very high	32 Å²	32	48.2 Å²	48.2	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-48	172.3	-69.9	174.6	178.1	0	0	111.8	G301 L302 T303 I307 L308 T309 L336 V339 F340 L343	G301-M305 WeakPolarHBondContact O-CG 3.34Å; G301-M305 PolarHBondContact O-N 3.25Å; L302-M305 HydrophobicContact CD2-SD 4.29Å; L302-M305 PolarHBondContact O-N 2.72Å; T303-M305 VanDerWaalsContact C-N 3.35Å; T303-M305 PolarHBondContact O-N 2.94Å; M305-I307 VanDerWaalsContact C-N 3.33Å; M305-I307 PolarHBondContact O-N 2.93Å; M305-L308 PolarHBondContact O-N 2.96Å; M305-T309 WeakPolarHBondContact O-CB 3.46Å; M305-T309 PolarHBondContact O-N 3.46Å; M305-T309 PolarHBondContact O-OG1 2.99Å; M305-L336 HydrophobicContact CB-CD1 4.29Å; M305-L336 HydrophobicContact CG-CD1 4.16Å; M305-V339 HydrophobicContact CE-CG1 4.47Å; M305-V339 HydrophobicContact CG-CG1 3.75Å; M305-F340 VanDerWaalsContact CE-CA 3.47Å; M305-F340 HydrophobicContact CE-CB 3.92Å; M305-F340 HydrophobicContact CE-CD2 3.75Å; M305-F340 HydrophobicContact CE-CG 4.31Å; M305-L343 HydrophobicContact CE-CB 3.9Å; M305-L343 HydrophobicContact CE-CD2 3.54Å; M305-L343 HydrophobicContact CE-CG 4.37Å; M305-L343 HydrophobicContact SD-CD2 4.03Å
306	L	95.4	Very high	92.1	Very high	114 Å²	114	50.1 Å²	50.1	60%	0.597	28%	0.275	S	S	*	.	H	α-helix	trans	-58.7	-45.5	179.7	-179.5	60	0	0	0	111.3	L302 T303 T309 T310	L302-L306 PolarHBondContact O-N 3.5Å; T303-L306 PolarHBondContact O-N 3.02Å; L306-T309 PolarHBondContact O-N 3.07Å; L306-T310 WeakPolarHBondContact O-CB 3.34Å; L306-T310 PolarHBondContact O-N 3.11Å; L306-T310 PolarHBondContact O-OG1 3.24Å
307	I	95.4	Very high	92	Very high	76 Å²	76	53.9 Å²	53.9	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-48.2	177.7	-69.4	162.1	0	0	0	111.2	T279 T303 M305 T309 T310 I311	T279-I307 HydrophobicContact CG2-CB 4.09Å; T279-I307 HydrophobicContact CG2-CG2 3.92Å; T279-I307 WeakPolarHBondContact OG1-CG2 3.39Å; T303-I307 WeakPolarHBondContact O-CB 3.46Å; T303-I307 WeakPolarHBondContact O-CD1 3.43Å; T303-I307 VanDerWaalsContact O-CG1 3.22Å; T303-I307 WeakPolarHBondContact O-CG1 3.29Å; T303-I307 PolarHBondContact O-N 3.24Å; M305-I307 VanDerWaalsContact C-N 3.33Å; M305-I307 PolarHBondContact O-N 2.93Å; I307-T309 PolarHBondContact O-N 3.34Å; I307-T310 PolarHBondContact O-N 2.98Å; I307-I311 HydrophobicContact CG2-CD1 3.99Å; I307-I311 WeakPolarHBondContact O-CG1 3.41Å; I307-I311 PolarHBondContact O-N 2.91Å
308	L	94.3	Very high	91.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-42	177.6	-69.4	178.9	0	0	0	112	T276 T279 S304 M305 T310 I311 D312 C335 L336 V339	T276-L308 HydrophobicContact CG2-CD2 3.59Å; T279-L308 HydrophobicContact CG2-CD2 4.21Å; T279-L308 HydrophobicContact CG2-CG 3.99Å; S304-L308 WeakPolarHBondContact O-CG 3.44Å; S304-L308 PolarHBondContact O-N 3.46Å; S304-L308 VanDerWaalsContact O-N 3.09Å; M305-L308 PolarHBondContact O-N 2.96Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 3.27Å; L308-I311 PolarHBondContact O-N 2.95Å; L308-D312 WeakPolarHBondContact O-CB 3.29Å; L308-D312 PolarHBondContact O-N 3.38Å; L308-C335 HydrophobicContact CD1-CB 4.12Å; L308-C335 HydrophobicContact CD2-CB 4.39Å; L308-L336 HydrophobicContact CB-CD1 4.34Å; L308-L336 HydrophobicContact CD1-CB 4.23Å; L308-L336 HydrophobicContact CD1-CD1 4.38Å; L308-V339 HydrophobicContact CD1-CB 4.3Å; L308-V339 HydrophobicContact CD1-CG2 3.66Å
309	T	93.7	Very high	91.5	Very high	66 Å²	66	56.4 Å²	56.4	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-34.6	175.7	-55.7	0	0	0	0	112.4	M305 L306 I307 D312 S313	M305-T309 WeakPolarHBondContact O-CB 3.46Å; M305-T309 PolarHBondContact O-N 3.46Å; M305-T309 PolarHBondContact O-OG1 2.99Å; L306-T309 PolarHBondContact O-N 3.07Å; I307-T309 PolarHBondContact O-N 3.34Å; T309-D312 PolarHBondContact O-N 2.98Å; T309-S313 PolarHBondContact O-N 2.94Å; T309-S313 PolarHBondContact O-OG 3.21Å
310	T	94.3	Very high	91	Very high	78 Å²	78	53.4 Å²	53.4	48%	0.479	28%	0.279	S	S	.	.	H	α-helix	trans	-70.1	-35.2	174.7	-58.9	0	0	0	0	112.3	L306 I307 L308 S313 H314	L306-T310 WeakPolarHBondContact O-CB 3.34Å; L306-T310 PolarHBondContact O-N 3.11Å; L306-T310 PolarHBondContact O-OG1 3.24Å; I307-T310 PolarHBondContact O-N 2.98Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 3.27Å; T310-S313 WeakPolarHBondContact CA-OG 3.21Å; T310-S313 PolarHBondContact O-OG 3.02Å; T310-H314 VanDerWaalsContact O-CB 3.29Å; T310-H314 WeakPolarHBondContact O-CB 3.41Å; T310-H314 PolarHBondContact O-N 3.14Å
311	I	93.1	Very high	90.1	Very high	26 Å²	26	58.9 Å²	58.9	13%	0.133	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-42.1	173.1	-67.5	165.7	0	0	0	110.3	V272 P275 T276 I307 L308 H314 L315 I332	V272-I311 HydrophobicContact CG1-CG2 4.05Å; P275-I311 HydrophobicContact CB-CD1 4.08Å; T276-I311 HydrophobicContact CG2-CD1 3.88Å; T276-I311 HydrophobicContact CG2-CG2 4.01Å; I307-I311 HydrophobicContact CG2-CD1 3.99Å; I307-I311 WeakPolarHBondContact O-CG1 3.41Å; I307-I311 PolarHBondContact O-N 2.91Å; L308-I311 PolarHBondContact O-N 2.95Å; I311-H314 PolarHBondContact O-N 3.33Å; I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.37Å; I311-L315 PolarHBondContact O-N 2.94Å; I311-I332 HydrophobicContact CG2-CD1 4.38Å
312	D	90.4	Very high	89.1	Confident	30 Å²	30	61.8 Å²	61.8	16%	0.16	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-45.1	175.9	-177.3	33.8	0	0	0	112.5	L308 T309 L315 R316 I332	L308-D312 WeakPolarHBondContact O-CB 3.29Å; L308-D312 PolarHBondContact O-N 3.38Å; T309-D312 PolarHBondContact O-N 2.98Å; D312-L315 PolarHBondContact O-N 3.06Å; D312-R316 VanDerWaalsContact CG-CZ 3.43Å; D312-R316 PolarHBondContact O-N 3.46Å; D312-R316 VanDerWaalsContact O-N 3.12Å; D312-R316 IonicContact OD1-CZ 2.68Å; D312-R316 IonicContact OD1-NH1 3.74Å; D312-R316 PolarHBondContact OD1-NH1 2.79Å; D312-R316 IonicContact OD1-NH2 3.49Å; D312-R316 IonicContact OD2-CZ 3.45Å; D312-R316 IonicContact OD2-NH1 2.94Å; D312-R316 PolarHBondContact OD2-NH1 3.34Å; D312-R316 IonicContact OD2-NH2 3.69Å; D312-R316 PolarHBondContact OD2-NH2 2.63Å; D312-I332 HydrophobicContact CB-CG2 4.11Å
313	S	90.2	Very high	87.7	Confident	45 Å²	45	63.7 Å²	63.7	32%	0.315	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-45.6	172.4	58.5	0	0	0	0	112.3	T309 T310 L315 R316 D317	T309-S313 PolarHBondContact O-N 2.94Å; T309-S313 PolarHBondContact O-OG 3.21Å; T310-S313 WeakPolarHBondContact CA-OG 3.21Å; T310-S313 PolarHBondContact O-OG 3.02Å; S313-L315 PolarHBondContact O-N 3.23Å; S313-L315 VanDerWaalsContact O-N 3.14Å; S313-R316 PolarHBondContact O-N 3.14Å; S313-D317 VanDerWaalsContact O-CG 3.24Å; S313-D317 PolarHBondContact O-N 3.43Å
314	H	90.1	Very high	87	Confident	95 Å²	95	61.8 Å²	61.8	44%	0.44	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-23.3	-179.8	-175.7	61.4	0	0	0	113.8	T310 I311 K318	T310-H314 VanDerWaalsContact O-CB 3.29Å; T310-H314 WeakPolarHBondContact O-CB 3.41Å; T310-H314 PolarHBondContact O-N 3.14Å; I311-H314 PolarHBondContact O-N 3.33Å; H314-K318 VanDerWaalsContact NE2-CE 3.34Å; H314-K318 WeakPolarHBondContact NE2-CE 3.47Å; H314-K318 PolarHBondContact NE2-NZ 2.85Å
315	L	87.7	Confident	86.5	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-82.9	-37.9	172.9	-75.7	163.6	0	0	0	112.6	V272 I311 D312 S313 D317 K318 L319 I328 I332	V272-L315 HydrophobicContact CG1-CD1 3.74Å; V272-L315 HydrophobicContact CG2-CD1 4.01Å; V272-L315 HydrophobicContact CG2-CD2 3.87Å; V272-L315 HydrophobicContact CG2-CG 4.35Å; I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.37Å; I311-L315 PolarHBondContact O-N 2.94Å; D312-L315 PolarHBondContact O-N 3.06Å; S313-L315 PolarHBondContact O-N 3.23Å; S313-L315 VanDerWaalsContact O-N 3.14Å; L315-D317 VanDerWaalsContact C-N 3.31Å; L315-D317 PolarHBondContact O-N 3.26Å; L315-K318 PolarHBondContact O-N 2.71Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 3.28Å; L315-I328 HydrophobicContact CD1-CD1 4.04Å; L315-I328 HydrophobicContact CD1-CG1 4.47Å; L315-I328 HydrophobicContact CD2-CD1 4.24Å; L315-I332 HydrophobicContact CD1-CD1 3.41Å; L315-I332 VanDerWaalsContact CD1-CD1 3.41Å
316	R	85.7	Confident	86.3	Confident	111 Å²	111	66.7 Å²	66.7	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-34.5	171.7	-74	-170.7	-72.4	-102.1	-7.2	112.5	D312 S313 K318 L319	D312-R316 VanDerWaalsContact CG-CZ 3.43Å; D312-R316 PolarHBondContact O-N 3.46Å; D312-R316 VanDerWaalsContact O-N 3.12Å; D312-R316 IonicContact OD1-CZ 2.68Å; D312-R316 IonicContact OD1-NH1 3.74Å; D312-R316 PolarHBondContact OD1-NH1 2.79Å; D312-R316 IonicContact OD1-NH2 3.49Å; D312-R316 IonicContact OD2-CZ 3.45Å; D312-R316 IonicContact OD2-NH1 2.94Å; D312-R316 PolarHBondContact OD2-NH1 3.34Å; D312-R316 IonicContact OD2-NH2 3.69Å; D312-R316 PolarHBondContact OD2-NH2 2.63Å; S313-R316 PolarHBondContact O-N 3.14Å; R316-K318 PolarHBondContact O-N 3.29Å; R316-K318 VanDerWaalsContact O-N 3.12Å; R316-L319 PolarHBondContact O-N 2.98Å
317	D	86	Confident	86.2	Confident	117 Å²	117	61.4 Å²	61.4	63%	0.626	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.1	174.9	-62.1	-28.8	0	0	0	113.6	S313 L315	S313-D317 VanDerWaalsContact O-CG 3.24Å; S313-D317 PolarHBondContact O-N 3.43Å; L315-D317 VanDerWaalsContact C-N 3.31Å; L315-D317 PolarHBondContact O-N 3.26Å
318	K	83.8	Confident	86	Confident	95 Å²	95	57.8 Å²	57.8	41%	0.413	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-3.2	-178.3	-67.9	177.6	177.4	170.2	0	114.1	H314 L315 R316	H314-K318 VanDerWaalsContact NE2-CE 3.34Å; H314-K318 WeakPolarHBondContact NE2-CE 3.47Å; H314-K318 PolarHBondContact NE2-NZ 2.85Å; L315-K318 PolarHBondContact O-N 2.71Å; R316-K318 PolarHBondContact O-N 3.29Å; R316-K318 VanDerWaalsContact O-N 3.12Å
319	L	85.3	Confident	85.8	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	32%	0.321	C	S	.	.	S	Bend	trans	-129.1	144	-172.9	-67.8	172.5	0	0	0	110.9	E99 M100 F190 L315 R316 K326	E99-L319 HydrophobicContact CB-CD2 4.09Å; E99-L319 HydrophobicContact CG-CD2 4.1Å; M100-L319 VanDerWaalsContact SD-CA 3.56Å; M100-L319 PolarHBondContact SD-N 2.89Å; F190-L319 HydrophobicContact CD1-CD1 4.08Å; F190-L319 HydrophobicContact CD2-CD2 4.34Å; F190-L319 HydrophobicContact CE1-CD1 3.61Å; F190-L319 HydrophobicContact CE1-CD2 4.24Å; F190-L319 HydrophobicContact CE2-CD2 3.76Å; F190-L319 HydrophobicContact CZ-CD1 3.9Å; F190-L319 HydrophobicContact CZ-CD2 3.71Å; F190-L319 HydrophobicContact CZ-CG 4.34Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 3.28Å; R316-L319 PolarHBondContact O-N 2.98Å; L319-K326 HydrophobicContact CD1-CD 4.19Å
320	P	83.9	Confident	85.8	Confident	19 Å²	19	60.2 Å²	60.2	12%	0.123	32%	0.322	C	S	.	.			trans	-61.7	144.2	-179.3	29.2	-38.5	0	0	0	110.2	E99 L187 I322	E99-P320 WeakPolarHBondContact O-CD 3.34Å; E99-P320 WeakPolarHBondContact O-CG 3.5Å; L187-P320 HydrophobicContact CD1-CG 3.68Å; P320-I322 HydrophobicContact CB-CD1 4.18Å; P320-I322 HydrophobicContact CB-CG1 3.86Å; P320-I322 HydrophobicContact CG-CD1 3.6Å; P320-I322 HydrophobicContact CG-CG1 3.77Å; P320-I322 PolarHBondContact O-N 2.95Å
321	N	72.3	Confident	85.8	Confident	155 Å²	155	56.5 Å²	56.5	83%	0.829	30%	0.299	S	S	*	.			trans	-73.6	57.5	176.1	-73.3	-39.9	0	0	0	111.8
322	I	71.2	Confident	85.8	Confident	65 Å²	65	55.5 Å²	55.5	33%	0.333	29%	0.294	S	S	.	.			trans	-80.1	141	172.8	-49.7	175.5	0	0	0	108.2	M102 L187 P320 C324	M102-I322 HydrophobicContact CE-CD1 3.57Å; M102-I322 HydrophobicContact SD-CD1 4.34Å; L187-I322 HydrophobicContact CD1-CD1 4.1Å; P320-I322 HydrophobicContact CB-CD1 4.18Å; P320-I322 HydrophobicContact CB-CG1 3.86Å; P320-I322 HydrophobicContact CG-CD1 3.6Å; P320-I322 HydrophobicContact CG-CG1 3.77Å; P320-I322 PolarHBondContact O-N 2.95Å; I322-C324 HydrophobicContact CG2-CB 4.04Å; I322-C324 VanDerWaalsContact CG2-SG 3.51Å; I322-C324 PolarHBondContact O-N 3.13Å
323	S	65.3	Low	85.9	Confident	132 Å²	132	59.7 Å²	59.7	92%	0.923	32%	0.315	S	S	*	.	S	Bend	trans	-69.8	14	175	50	0	0	0	0	114.8
324	C	78.7	Confident	86.1	Confident	23 Å²	23	59 Å²	59	16%	0.155	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-90.1	133.2	178.3	64.5	0	0	0	0	111.6	I322 K326	I322-C324 HydrophobicContact CG2-CB 4.04Å; I322-C324 VanDerWaalsContact CG2-SG 3.51Å; I322-C324 PolarHBondContact O-N 3.13Å; C324-K326 PolarHBondContact O-N 2.94Å
325	I	85.9	Confident	86.3	Confident	117 Å²	117	54.5 Å²	54.5	60%	0.6	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-72.9	126.6	167.3	-59	172.2	0	0	0	107.8	H188 I330	H188-I325 PolarHBondContact ND1-O 3.28Å; I325-I330 HydrophobicContact CG2-CD1 3.84Å; I325-I330 HydrophobicContact CG2-CG1 3.57Å
326	K	90.8	Very high	86.6	Confident	20 Å²	20	56.8 Å²	56.8	9%	0.087	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-100	151.6	179.3	-54.9	173.9	-62.8	-53.7	0	110.3	L187 L319 C324 I328 D329 I330	L187-K326 HydrophobicContact CB-CD 4.43Å; L319-K326 HydrophobicContact CD1-CD 4.19Å; C324-K326 PolarHBondContact O-N 2.94Å; K326-I328 HydrophobicContact CB-CG2 4.23Å; K326-I328 PolarHBondContact O-N 3.32Å; K326-I328 VanDerWaalsContact O-N 3.16Å; K326-D329 WeakPolarHBondContact CB-OD2 3.32Å; K326-D329 WeakPolarHBondContact CE-OD1 3.36Å; K326-D329 PolarHBondContact N-OD2 2.88Å; K326-D329 IonicContact NZ-OD1 3.63Å; K326-D329 PolarHBondContact NZ-OD1 3.44Å; K326-D329 IonicContact NZ-OD2 2.72Å; K326-D329 PolarHBondContact NZ-OD2 2.84Å; K326-D329 WeakPolarHBondContact O-CB 3.34Å; K326-D329 PolarHBondContact O-N 2.86Å; K326-I330 PolarHBondContact O-N 3.18Å
327	A	91.8	Very high	87.1	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-56.7	-30.5	177.8	0	0	0	0	0	113.9	H188 Y331 Y626 H630	H188-A327 PolarHBondContact O-N 2.94Å; A327-Y331 PolarHBondContact O-N 3.17Å; A327-Y626 WeakPolarHBondContact O-CE2 3.48Å; A327-Y626 PolarHBondContact O-OH 3.05Å; A327-H630 WeakPolarHBondContact CB-CE1 3.44Å
328	I	91.8	Very high	87.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-71.5	-36.1	174.4	-155.6	167.5	0	0	0	112.9	F190 P191 V272 L315 K326 I330 Y331 I332	F190-I328 HydrophobicContact CD1-CB 4.32Å; F190-I328 HydrophobicContact CD1-CG2 3.81Å; F190-I328 HydrophobicContact CE1-CD1 4.1Å; F190-I328 HydrophobicContact CE1-CG2 4.15Å; F190-I328 PolarHBondContact O-N 2.92Å; P191-I328 HydrophobicContact CG-CD1 4.4Å; V272-I328 HydrophobicContact CG1-CD1 4.08Å; V272-I328 HydrophobicContact CG1-CG1 4.4Å; V272-I328 HydrophobicContact CG2-CD1 4.41Å; L315-I328 HydrophobicContact CD1-CD1 4.04Å; L315-I328 HydrophobicContact CD1-CG1 4.47Å; L315-I328 HydrophobicContact CD2-CD1 4.24Å; K326-I328 HydrophobicContact CB-CG2 4.23Å; K326-I328 PolarHBondContact O-N 3.32Å; K326-I328 VanDerWaalsContact O-N 3.16Å; I328-I330 VanDerWaalsContact C-N 3.35Å; I328-I330 PolarHBondContact O-N 2.91Å; I328-Y331 WeakPolarHBondContact O-CB 3.25Å; I328-Y331 PolarHBondContact O-N 3.36Å; I328-I332 HydrophobicContact CG1-CD1 4.33Å; I328-I332 WeakPolarHBondContact O-CG1 3.33Å; I328-I332 PolarHBondContact O-N 3.33Å
329	D	90.9	Very high	88	Confident	37 Å²	37	47.9 Å²	47.9	20%	0.198	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-43.6	179.3	-48.7	-25.3	0	0	0	110	K326 Y331 I332 L333	K326-D329 WeakPolarHBondContact CB-OD2 3.32Å; K326-D329 WeakPolarHBondContact CE-OD1 3.36Å; K326-D329 PolarHBondContact N-OD2 2.88Å; K326-D329 IonicContact NZ-OD1 3.63Å; K326-D329 PolarHBondContact NZ-OD1 3.44Å; K326-D329 IonicContact NZ-OD2 2.72Å; K326-D329 PolarHBondContact NZ-OD2 2.84Å; K326-D329 WeakPolarHBondContact O-CB 3.34Å; K326-D329 PolarHBondContact O-N 2.86Å; D329-Y331 VanDerWaalsContact C-N 3.3Å; D329-Y331 PolarHBondContact O-N 2.95Å; D329-I332 PolarHBondContact O-N 2.66Å; D329-L333 VanDerWaalsContact O-CB 3.26Å; D329-L333 WeakPolarHBondContact O-CB 3.49Å; D329-L333 PolarHBondContact O-N 2.91Å
330	I	92.1	Very high	88.4	Confident	80 Å²	80	52.1 Å²	52.1	41%	0.41	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-42.7	176.6	-62.8	168.5	0	0	0	110.4	I325 K326 I328 L333 V334	I325-I330 HydrophobicContact CG2-CD1 3.84Å; I325-I330 HydrophobicContact CG2-CG1 3.57Å; K326-I330 PolarHBondContact O-N 3.18Å; I328-I330 VanDerWaalsContact C-N 3.35Å; I328-I330 PolarHBondContact O-N 2.91Å; I330-L333 PolarHBondContact O-N 3.46Å; I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3.49Å
331	Y	93.9	Very high	88.8	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-46.6	178.6	-169.6	-91.7	0	0	0	112	Y273 V277 A327 I328 D329 V334 C335 F622 N623 Y626	Y273-Y331 AromaticContact CD1-CD1 3.73Å; Y273-Y331 HydrophobicContact CD1-CD1 3.73Å; Y273-Y331 HydrophobicContact CD1-CD2 4.36Å; Y273-Y331 AromaticContact CD1-CE1 3.6Å; Y273-Y331 HydrophobicContact CD1-CE1 3.6Å; Y273-Y331 HydrophobicContact CD1-CE2 4.24Å; Y273-Y331 HydrophobicContact CD1-CG 4.13Å; Y273-Y331 AromaticContact CD1-CZ 3.87Å; Y273-Y331 AromaticContact CE1-CD1 3.8Å; Y273-Y331 HydrophobicContact CE1-CD1 3.8Å; Y273-Y331 HydrophobicContact CE1-CD2 4.04Å; Y273-Y331 HydrophobicContact CE1-CE1 4.12Å; Y273-Y331 HydrophobicContact CE1-CE2 4.33Å; Y273-Y331 AromaticContact CE1-CG 3.77Å; Y273-Y331 HydrophobicContact CE1-CG 3.77Å; V277-Y331 WeakPolarHBondContact CG2-OH 3.49Å; A327-Y331 PolarHBondContact O-N 3.17Å; I328-Y331 WeakPolarHBondContact O-CB 3.25Å; I328-Y331 PolarHBondContact O-N 3.36Å; D329-Y331 VanDerWaalsContact C-N 3.3Å; D329-Y331 PolarHBondContact O-N 2.95Å; Y331-V334 PolarHBondContact O-N 3.04Å; Y331-C335 PolarHBondContact O-N 3.12Å; Y331-C335 PolarHBondContact O-SG 3.33Å; Y331-F622 AromaticContact CD2-CE1 3.66Å; Y331-F622 HydrophobicContact CD2-CE1 3.66Å; Y331-F622 AromaticContact CD2-CZ 3.8Å; Y331-F622 HydrophobicContact CD2-CZ 3.8Å; Y331-F622 AromaticContact CE2-CE1 3.66Å; Y331-F622 HydrophobicContact CE2-CE1 3.66Å; Y331-F622 HydrophobicContact CE2-CZ 4.24Å; Y331-F622 HydrophobicContact CG-CE1 4.5Å; Y331-N623 WeakPolarHBondContact CE2-OD1 3.32Å; Y331-N623 PolarHBondContact OH-OD1 3.04Å; Y331-Y626 AromaticContact CD2-CD1 3.66Å; Y331-Y626 HydrophobicContact CD2-CD1 3.66Å; Y331-Y626 AromaticContact CD2-CD2 3.93Å; Y331-Y626 HydrophobicContact CD2-CD2 3.93Å; Y331-Y626 AromaticContact CD2-CE1 3.61Å; Y331-Y626 HydrophobicContact CD2-CE1 3.61Å; Y331-Y626 AromaticContact CD2-CE2 3.87Å; Y331-Y626 HydrophobicContact CD2-CE2 3.87Å; Y331-Y626 AromaticContact CD2-CG 3.82Å; Y331-Y626 HydrophobicContact CD2-CG 3.82Å; Y331-Y626 AromaticContact CD2-CZ 3.7Å; Y331-Y626 AromaticContact CE2-CD1 3.97Å; Y331-Y626 HydrophobicContact CE2-CD1 3.97Å; Y331-Y626 HydrophobicContact CE2-CE1 4.19Å; Y331-Y626 HydrophobicContact CE2-CG 4.29Å; Y331-Y626 HydrophobicContact CG-CE1 4.29Å; Y331-Y626 HydrophobicContact CG-CE2 4.34Å
332	I	93.1	Very high	89.7	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-39.7	179.5	-64.1	169.2	0	0	0	111	V272 T276 I311 D312 L315 I328 D329 V334 C335 L336	V272-I332 HydrophobicContact CG1-CD1 4.21Å; T276-I332 HydrophobicContact CG2-CG1 4.38Å; I311-I332 HydrophobicContact CG2-CD1 4.38Å; D312-I332 HydrophobicContact CB-CG2 4.11Å; L315-I332 HydrophobicContact CD1-CD1 3.41Å; L315-I332 VanDerWaalsContact CD1-CD1 3.41Å; I328-I332 HydrophobicContact CG1-CD1 4.33Å; I328-I332 WeakPolarHBondContact O-CG1 3.33Å; I328-I332 PolarHBondContact O-N 3.33Å; D329-I332 PolarHBondContact O-N 2.66Å; I332-V334 PolarHBondContact O-N 3.49Å; I332-C335 PolarHBondContact O-N 2.67Å; I332-L336 WeakPolarHBondContact O-CB 3.34Å; I332-L336 PolarHBondContact O-N 2.89Å
333	L	93.3	Very high	90.7	Very high	118 Å²	118	44.9 Å²	44.9	62%	0.618	24%	0.238	S	C	*	.	H	α-helix	trans	-62.2	-41.4	175.8	-174.7	152.8	0	0	0	111.8	D329 I330 L336 F337	D329-L333 VanDerWaalsContact O-CB 3.26Å; D329-L333 WeakPolarHBondContact O-CB 3.49Å; D329-L333 PolarHBondContact O-N 2.91Å; I330-L333 PolarHBondContact O-N 3.46Å; L333-L336 PolarHBondContact O-N 3.19Å; L333-F337 WeakPolarHBondContact O-CB 3.45Å; L333-F337 PolarHBondContact O-N 2.61Å
334	V	94.3	Very high	91.9	Very high	32 Å²	32	42.3 Å²	42.3	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-67.8	-42.4	175.3	172.1	0	0	0	0	111.4	I330 Y331 I332 L336 F337 F338 F622	I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3.49Å; Y331-V334 PolarHBondContact O-N 3.04Å; I332-V334 PolarHBondContact O-N 3.49Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 2.93Å; V334-F337 PolarHBondContact O-N 3.04Å; V334-F338 HydrophobicContact CG1-CD2 3.8Å; V334-F338 HydrophobicContact CG1-CE2 3.66Å; V334-F338 VanDerWaalsContact O-CD2 3.29Å; V334-F338 WeakPolarHBondContact O-CD2 3.4Å; V334-F338 PolarHBondContact O-N 3.49Å; V334-F622 HydrophobicContact CB-CE1 3.97Å; V334-F622 HydrophobicContact CB-CE2 4.07Å; V334-F622 HydrophobicContact CB-CZ 3.68Å; V334-F622 HydrophobicContact CG1-CD1 3.72Å; V334-F622 HydrophobicContact CG1-CD2 3.94Å; V334-F622 HydrophobicContact CG1-CE1 3.57Å; V334-F622 HydrophobicContact CG1-CE2 3.8Å; V334-F622 HydrophobicContact CG1-CG 3.91Å; V334-F622 HydrophobicContact CG1-CZ 3.61Å; V334-F622 HydrophobicContact CG2-CE2 3.97Å; V334-F622 HydrophobicContact CG2-CZ 4Å
335	C	94.8	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-45.9	172.2	-71.1	0	0	0	0	111.8	L308 Y331 I332 F337 F338 V339	L308-C335 HydrophobicContact CD1-CB 4.12Å; L308-C335 HydrophobicContact CD2-CB 4.39Å; Y331-C335 PolarHBondContact O-N 3.12Å; Y331-C335 PolarHBondContact O-SG 3.33Å; I332-C335 PolarHBondContact O-N 2.67Å; C335-F337 VanDerWaalsContact C-N 3.33Å; C335-F337 PolarHBondContact O-N 3.43Å; C335-F338 PolarHBondContact O-N 3.48Å; C335-V339 WeakPolarHBondContact O-CG2 3.45Å; C335-V339 PolarHBondContact O-N 3.09Å
336	L	94.3	Very high	92.5	Very high	56 Å²	56	37.2 Å²	37.2	29%	0.293	19%	0.185	S	C	.	.	H	α-helix	trans	-62.5	-39.1	177.2	-178.2	63.4	0	0	0	111.7	M305 L308 I332 L333 V334 V339 F340	M305-L336 HydrophobicContact CB-CD1 4.29Å; M305-L336 HydrophobicContact CG-CD1 4.16Å; L308-L336 HydrophobicContact CB-CD1 4.34Å; L308-L336 HydrophobicContact CD1-CB 4.23Å; L308-L336 HydrophobicContact CD1-CD1 4.38Å; I332-L336 WeakPolarHBondContact O-CB 3.34Å; I332-L336 PolarHBondContact O-N 2.89Å; L333-L336 PolarHBondContact O-N 3.19Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 2.93Å; L336-V339 PolarHBondContact O-N 3.15Å; L336-F340 WeakPolarHBondContact O-CB 3.3Å; L336-F340 PolarHBondContact O-N 3.37Å
337	F	95	Very high	92.4	Very high	111 Å²	111	40 Å²	40	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-41.8	174.4	-178.5	-109.5	0	0	0	112.4	L333 V334 C335 V339 F340 L341	L333-F337 WeakPolarHBondContact O-CB 3.45Å; L333-F337 PolarHBondContact O-N 2.61Å; V334-F337 PolarHBondContact O-N 3.04Å; C335-F337 VanDerWaalsContact C-N 3.33Å; C335-F337 PolarHBondContact O-N 3.43Å; F337-V339 PolarHBondContact O-N 3.49Å; F337-F340 PolarHBondContact O-N 3.32Å; F337-L341 HydrophobicContact CD1-CD1 4.01Å; F337-L341 HydrophobicContact CD1-CG 4.45Å; F337-L341 HydrophobicContact CE1-CD1 3.52Å; F337-L341 HydrophobicContact CE1-CG 4.12Å; F337-L341 HydrophobicContact CE2-CD2 4.39Å; F337-L341 HydrophobicContact CE2-CG 4.33Å; F337-L341 HydrophobicContact CZ-CD1 3.85Å; F337-L341 HydrophobicContact CZ-CD2 4.13Å; F337-L341 HydrophobicContact CZ-CG 4.05Å; F337-L341 WeakPolarHBondContact O-CG 3.37Å; F337-L341 PolarHBondContact O-N 2.93Å
338	F	94.4	Very high	92.2	Very high	25 Å²	25	43.9 Å²	43.9	11%	0.11	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-39.9	173.3	-84.5	-70.8	0	0	0	112.6	T280 V334 C335 L341 S342 F615 A618 F619	T280-F338 HydrophobicContact CG2-CB 3.97Å; V334-F338 HydrophobicContact CG1-CD2 3.8Å; V334-F338 HydrophobicContact CG1-CE2 3.66Å; V334-F338 VanDerWaalsContact O-CD2 3.29Å; V334-F338 WeakPolarHBondContact O-CD2 3.4Å; V334-F338 PolarHBondContact O-N 3.49Å; C335-F338 PolarHBondContact O-N 3.48Å; F338-L341 PolarHBondContact O-N 3Å; F338-S342 PolarHBondContact O-N 3.31Å; F338-S342 VanDerWaalsContact O-N 3.11Å; F338-F615 HydrophobicContact CD1-CD1 4.08Å; F338-A618 HydrophobicContact CE1-CB 3.86Å; F338-A618 HydrophobicContact CZ-CB 3.9Å; F338-F619 AromaticContact CD2-CD2 3.71Å; F338-F619 HydrophobicContact CD2-CD2 3.71Å; F338-F619 HydrophobicContact CD2-CE2 4.43Å; F338-F619 HydrophobicContact CE2-CB 4.39Å; F338-F619 AromaticContact CE2-CD2 3.89Å; F338-F619 HydrophobicContact CE2-CD2 3.89Å; F338-F619 HydrophobicContact CG-CD2 4.3Å; F338-F619 HydrophobicContact CZ-CB 4.32Å
339	V	94.8	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-41.2	173.2	174.6	0	0	0	0	111.1	M305 L308 C335 L336 F337 S342 L343	M305-V339 HydrophobicContact CE-CG1 4.47Å; M305-V339 HydrophobicContact CG-CG1 3.75Å; L308-V339 HydrophobicContact CD1-CB 4.3Å; L308-V339 HydrophobicContact CD1-CG2 3.66Å; C335-V339 WeakPolarHBondContact O-CG2 3.45Å; C335-V339 PolarHBondContact O-N 3.09Å; L336-V339 PolarHBondContact O-N 3.15Å; F337-V339 PolarHBondContact O-N 3.49Å; V339-S342 WeakPolarHBondContact O-CB 3.44Å; V339-S342 PolarHBondContact O-N 3.27Å; V339-S342 VanDerWaalsContact O-N 3.15Å; V339-S342 PolarHBondContact O-OG 3.32Å; V339-L343 PolarHBondContact O-N 3.25Å; V339-L343 VanDerWaalsContact O-N 3.12Å
340	F	94	Very high	91.7	Very high	97 Å²	97	45.4 Å²	45.4	43%	0.425	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-43.9	175.6	179.9	-105.3	0	0	0	112.7	M305 L336 F337 S342 L343 L344	M305-F340 VanDerWaalsContact CE-CA 3.47Å; M305-F340 HydrophobicContact CE-CB 3.92Å; M305-F340 HydrophobicContact CE-CD2 3.75Å; M305-F340 HydrophobicContact CE-CG 4.31Å; L336-F340 WeakPolarHBondContact O-CB 3.3Å; L336-F340 PolarHBondContact O-N 3.37Å; F337-F340 PolarHBondContact O-N 3.32Å; F340-S342 VanDerWaalsContact C-N 3.28Å; F340-S342 PolarHBondContact O-N 2.92Å; F340-L343 PolarHBondContact O-N 2.85Å; F340-L343 VanDerWaalsContact O-N 3.17Å; F340-L344 HydrophobicContact CD1-CD1 3.91Å; F340-L344 HydrophobicContact CD1-CG 4.32Å; F340-L344 HydrophobicContact CE1-CD1 3.39Å; F340-L344 HydrophobicContact CE1-CG 3.97Å; F340-L344 HydrophobicContact CE2-CG 4.44Å; F340-L344 HydrophobicContact CZ-CD1 3.82Å; F340-L344 HydrophobicContact CZ-CD2 4.18Å; F340-L344 HydrophobicContact CZ-CG 4.03Å; F340-L344 PolarHBondContact O-N 3.36Å
341	L	92.8	Very high	91.4	Very high	56 Å²	56	48.6 Å²	48.6	29%	0.293	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-35	172.6	-71.8	179.3	0	0	0	112.4	F337 F338 L344 E345 F615	F337-L341 HydrophobicContact CD1-CD1 4.01Å; F337-L341 HydrophobicContact CD1-CG 4.45Å; F337-L341 HydrophobicContact CE1-CD1 3.52Å; F337-L341 HydrophobicContact CE1-CG 4.12Å; F337-L341 HydrophobicContact CE2-CD2 4.39Å; F337-L341 HydrophobicContact CE2-CG 4.33Å; F337-L341 HydrophobicContact CZ-CD1 3.85Å; F337-L341 HydrophobicContact CZ-CD2 4.13Å; F337-L341 HydrophobicContact CZ-CG 4.05Å; F337-L341 WeakPolarHBondContact O-CG 3.37Å; F337-L341 PolarHBondContact O-N 2.93Å; F338-L341 PolarHBondContact O-N 3Å; L341-L344 HydrophobicContact CD2-CD1 4.5Å; L341-L344 PolarHBondContact O-N 3.15Å; L341-E345 WeakPolarHBondContact O-CB 3.31Å; L341-E345 PolarHBondContact O-N 3.44Å; L341-F615 HydrophobicContact CB-CE1 3.63Å; L341-F615 HydrophobicContact CB-CZ 3.75Å
342	S	91	Very high	90.8	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-36.3	175.1	81.6	0	0	0	0	112.7	F338 V339 F340 Y346	F338-S342 PolarHBondContact O-N 3.31Å; F338-S342 VanDerWaalsContact O-N 3.11Å; V339-S342 WeakPolarHBondContact O-CB 3.44Å; V339-S342 PolarHBondContact O-N 3.27Å; V339-S342 VanDerWaalsContact O-N 3.15Å; V339-S342 PolarHBondContact O-OG 3.32Å; F340-S342 VanDerWaalsContact C-N 3.28Å; F340-S342 PolarHBondContact O-N 2.92Å; S342-Y346 PolarHBondContact O-N 3.42Å
343	L	91.7	Very high	90.2	Very high	28 Å²	28	54.5 Å²	54.5	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-72.8	-39.9	175.4	-174.5	65.5	0	0	0	111.5	L302 M305 V339 F340 E345 Y346 V347	L302-L343 HydrophobicContact CD2-CD2 3.8Å; L302-L343 HydrophobicContact CG-CD2 4.49Å; M305-L343 HydrophobicContact CE-CB 3.9Å; M305-L343 HydrophobicContact CE-CD2 3.54Å; M305-L343 HydrophobicContact CE-CG 4.37Å; M305-L343 HydrophobicContact SD-CD2 4.03Å; V339-L343 PolarHBondContact O-N 3.25Å; V339-L343 VanDerWaalsContact O-N 3.12Å; F340-L343 PolarHBondContact O-N 2.85Å; F340-L343 VanDerWaalsContact O-N 3.17Å; L343-E345 VanDerWaalsContact C-N 3.33Å; L343-E345 PolarHBondContact O-N 2.78Å; L343-Y346 PolarHBondContact O-N 3.32Å; L343-V347 WeakPolarHBondContact O-CG2 3.43Å; L343-V347 PolarHBondContact O-N 2.65Å
344	L	91.1	Very high	89.5	Confident	79 Å²	79	57.8 Å²	57.8	41%	0.414	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-38	173.8	-75.5	-175.3	0	0	0	112.3	F340 L341 V347 Y348	F340-L344 HydrophobicContact CD1-CD1 3.91Å; F340-L344 HydrophobicContact CD1-CG 4.32Å; F340-L344 HydrophobicContact CE1-CD1 3.39Å; F340-L344 HydrophobicContact CE1-CG 3.97Å; F340-L344 HydrophobicContact CE2-CG 4.44Å; F340-L344 HydrophobicContact CZ-CD1 3.82Å; F340-L344 HydrophobicContact CZ-CD2 4.18Å; F340-L344 HydrophobicContact CZ-CG 4.03Å; F340-L344 PolarHBondContact O-N 3.36Å; L341-L344 HydrophobicContact CD2-CD1 4.5Å; L341-L344 PolarHBondContact O-N 3.15Å; L344-V347 PolarHBondContact O-N 3.03Å; L344-Y348 WeakPolarHBondContact O-CB 3.48Å; L344-Y348 PolarHBondContact O-N 3.14Å
345	E	90.2	Very high	88.4	Confident	16 Å²	16	59.5 Å²	59.5	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-45.1	176.2	-169.8	-103.6	-149.5	0	0	111.5	F287 R297 L341 L343 Y348 I349 V607 S611	F287-E345 HydrophobicContact CE1-CB 4.17Å; F287-E345 HydrophobicContact CE1-CG 4.19Å; R297-E345 IonicContact NH1-OE2 3.49Å; R297-E345 PolarHBondContact NH1-OE2 2.91Å; L341-E345 WeakPolarHBondContact O-CB 3.31Å; L341-E345 PolarHBondContact O-N 3.44Å; L343-E345 VanDerWaalsContact C-N 3.33Å; L343-E345 PolarHBondContact O-N 2.78Å; E345-Y348 PolarHBondContact O-N 3.24Å; E345-I349 WeakPolarHBondContact O-CG1 3.4Å; E345-I349 PolarHBondContact O-N 3.08Å; E345-I349 WeakPolarHBondContact OE2-CD1 3.49Å; E345-V607 HydrophobicContact CG-CG1 4.01Å; E345-S611 VanDerWaalsContact OE1-CB 3.27Å; E345-S611 WeakPolarHBondContact OE1-CB 3.34Å; E345-S611 PolarHBondContact OE1-OG 3.3Å
346	Y	87.4	Confident	86.9	Confident	17 Å²	17	65.1 Å²	65.1	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-45.9	172.5	163.6	-100.9	0	0	0	112.4	S294 R297 V298 S342 L343 Y348 I349 N350	S294-Y346 WeakPolarHBondContact CB-OH 3.27Å; R297-Y346 HydrophobicContact CB-CD2 3.63Å; R297-Y346 HydrophobicContact CB-CE2 4Å; R297-Y346 HydrophobicContact CB-CG 3.95Å; R297-Y346 HydrophobicContact CG-CD2 4.13Å; V298-Y346 HydrophobicContact CG2-CD1 3.85Å; V298-Y346 HydrophobicContact CG2-CE1 3.2Å; S342-Y346 PolarHBondContact O-N 3.42Å; L343-Y346 PolarHBondContact O-N 3.32Å; Y346-Y348 VanDerWaalsContact C-N 3.28Å; Y346-Y348 PolarHBondContact O-N 3.27Å; Y346-I349 PolarHBondContact O-N 2.9Å; Y346-N350 HydrophobicContact CE2-CB 4.24Å; Y346-N350 WeakPolarHBondContact O-CB 3.45Å; Y346-N350 PolarHBondContact O-N 3.23Å; Y346-N350 PolarHBondContact OH-ND2 3.05Å
347	V	89	Confident	84.9	Confident	77 Å²	77	65.1 Å²	65.1	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-39.9	178.5	170.1	0	0	0	0	110.8	L343 L344 N350 Y351	L343-V347 WeakPolarHBondContact O-CG2 3.43Å; L343-V347 PolarHBondContact O-N 2.65Å; L344-V347 PolarHBondContact O-N 3.03Å; V347-N350 PolarHBondContact O-N 3.33Å; V347-Y351 VanDerWaalsContact O-CB 3.31Å; V347-Y351 WeakPolarHBondContact O-CB 3.46Å; V347-Y351 PolarHBondContact O-N 3.31Å
348	Y	87.2	Confident	82.7	Confident	86 Å²	86	65 Å²	65	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-43.3	176.2	-178.7	-112.7	0	0	0	112.6	L344 E345 Y346 Y351 L352	L344-Y348 WeakPolarHBondContact O-CB 3.48Å; L344-Y348 PolarHBondContact O-N 3.14Å; E345-Y348 PolarHBondContact O-N 3.24Å; Y346-Y348 VanDerWaalsContact C-N 3.28Å; Y346-Y348 PolarHBondContact O-N 3.27Å; Y348-Y351 PolarHBondContact O-N 3.34Å; Y348-L352 HydrophobicContact CD1-CD1 3.99Å; Y348-L352 HydrophobicContact CE1-CD1 3.5Å; Y348-L352 HydrophobicContact CE1-CG 4.34Å; Y348-L352 HydrophobicContact CE2-CD1 4.24Å; Y348-L352 HydrophobicContact CE2-CG 4.23Å; Y348-L352 WeakPolarHBondContact O-CB 3.46Å; Y348-L352 WeakPolarHBondContact O-CG 3.14Å; Y348-L352 PolarHBondContact O-N 2.67Å
349	I	85.6	Confident	80.6	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-44.4	173	-75.1	175.9	0	0	0	111.1	E345 Y346 L352 F353 V604 V607	E345-I349 WeakPolarHBondContact O-CG1 3.4Å; E345-I349 PolarHBondContact O-N 3.08Å; E345-I349 WeakPolarHBondContact OE2-CD1 3.49Å; Y346-I349 PolarHBondContact O-N 2.9Å; I349-L352 PolarHBondContact O-N 3.03Å; I349-F353 WeakPolarHBondContact O-CB 3.43Å; I349-F353 PolarHBondContact O-N 3.4Å; I349-V604 HydrophobicContact CG2-CG1 3.98Å; I349-V607 HydrophobicContact CD1-CB 4.38Å; I349-V607 HydrophobicContact CD1-CG1 4.12Å; I349-V607 HydrophobicContact CG1-CB 4.48Å; I349-V607 HydrophobicContact CG1-CG1 4.22Å
350	N	85.6	Confident	78.3	Confident	66 Å²	66	86.5 Å²	86.5	35%	0.353	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-44.7	178.9	-169.7	-87.8	0	0	0	111.7	Y346 V347 F353 Y354	Y346-N350 HydrophobicContact CE2-CB 4.24Å; Y346-N350 WeakPolarHBondContact O-CB 3.45Å; Y346-N350 PolarHBondContact O-N 3.23Å; Y346-N350 PolarHBondContact OH-ND2 3.05Å; V347-N350 PolarHBondContact O-N 3.33Å; N350-F353 PolarHBondContact O-N 2.72Å; N350-Y354 WeakPolarHBondContact O-CB 3.46Å; N350-Y354 PolarHBondContact O-N 2.85Å
351	Y	85.4	Confident	76.1	Confident	148 Å²	148	90.4 Å²	90.4	58%	0.58	42%	0.424	S	S	*	.	H	α-helix	trans	-60.1	-48.9	174.4	177.5	-96.2	0	0	0	111.8	V347 Y348 F353 Y354 S355	V347-Y351 VanDerWaalsContact O-CB 3.31Å; V347-Y351 WeakPolarHBondContact O-CB 3.46Å; V347-Y351 PolarHBondContact O-N 3.31Å; Y348-Y351 PolarHBondContact O-N 3.34Å; Y351-F353 VanDerWaalsContact C-N 3.27Å; Y351-F353 PolarHBondContact O-N 3.34Å; Y351-Y354 PolarHBondContact O-N 3.18Å; Y351-S355 WeakPolarHBondContact CE2-OG 3.15Å; Y351-S355 WeakPolarHBondContact O-CB 3.48Å; Y351-S355 PolarHBondContact O-N 3.32Å; Y351-S355 PolarHBondContact O-OG 2.97Å; Y351-S355 VanDerWaalsContact O-OG 3.1Å
352	L	83	Confident	73.9	Confident	21 Å²	21	93.4 Å²	93.4	11%	0.11	45%	0.447	C	S	.	.	H	α-helix	trans	-59.1	-37	176.9	-78.7	177.8	0	0	0	112.9	Y348 I349 R356 F599	Y348-L352 HydrophobicContact CD1-CD1 3.99Å; Y348-L352 HydrophobicContact CE1-CD1 3.5Å; Y348-L352 HydrophobicContact CE1-CG 4.34Å; Y348-L352 HydrophobicContact CE2-CD1 4.24Å; Y348-L352 HydrophobicContact CE2-CG 4.23Å; Y348-L352 WeakPolarHBondContact O-CB 3.46Å; Y348-L352 WeakPolarHBondContact O-CG 3.14Å; Y348-L352 PolarHBondContact O-N 2.67Å; I349-L352 PolarHBondContact O-N 3.03Å; L352-R356 WeakPolarHBondContact O-CB 3.46Å; L352-R356 VanDerWaalsContact O-CD 3.31Å; L352-R356 WeakPolarHBondContact O-CD 3.43Å; L352-R356 VanDerWaalsContact O-CG 3.28Å; L352-R356 WeakPolarHBondContact O-CG 3.31Å; L352-F599 HydrophobicContact CD2-CD1 4.44Å; L352-F599 HydrophobicContact CD2-CE1 4.33Å
353	F	78.9	Confident	71.8	Confident	108 Å²	108	104.9 Å²	104.9	47%	0.474	49%	0.49	S	S	.	.	H	α-helix	trans	-69.1	-52.4	176.2	-178.8	-96.9	0	0	0	111.5	Y291 I349 N350 Y351 R356 G357	Y291-F353 HydrophobicContact CD2-CD2 4.41Å; Y291-F353 HydrophobicContact CD2-CE2 4.44Å; Y291-F353 HydrophobicContact CE2-CD2 4.1Å; Y291-F353 AromaticContact CE2-CE2 3.75Å; Y291-F353 HydrophobicContact CE2-CE2 3.75Å; Y291-F353 HydrophobicContact CE2-CZ 4.24Å; I349-F353 WeakPolarHBondContact O-CB 3.43Å; I349-F353 PolarHBondContact O-N 3.4Å; N350-F353 PolarHBondContact O-N 2.72Å; Y351-F353 VanDerWaalsContact C-N 3.27Å; Y351-F353 PolarHBondContact O-N 3.34Å; F353-R356 PolarHBondContact O-N 2.88Å; F353-G357 PolarHBondContact O-N 3.4Å; F353-G357 VanDerWaalsContact O-N 3.16Å
354	Y	78.2	Confident	69.5	Low	186 Å²	186	115 Å²	115	73%	0.729	53%	0.526	S	S	*	.	H	α-helix	trans	-68.1	-45.1	-175.1	-162	-91.8	0	0	0	112.2	N350 Y351 R356 G357	N350-Y354 WeakPolarHBondContact O-CB 3.46Å; N350-Y354 PolarHBondContact O-N 2.85Å; Y351-Y354 PolarHBondContact O-N 3.18Å; Y354-R356 PolarHBondContact O-N 3.4Å; Y354-G357 PolarHBondContact O-N 2.88Å
355	S	71.4	Confident	67.4	Low	69 Å²	69	122.5 Å²	122.5	48%	0.483	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.7	178.4	-60.3	0	0	0	0	114.4	Y351	Y351-S355 WeakPolarHBondContact CE2-OG 3.15Å; Y351-S355 WeakPolarHBondContact O-CB 3.48Å; Y351-S355 PolarHBondContact O-N 3.32Å; Y351-S355 PolarHBondContact O-OG 2.97Å; Y351-S355 VanDerWaalsContact O-OG 3.1Å
356	R	63	Low	65.5	Low	118 Å²	118	133.5 Å²	133.5	45%	0.445	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.4	-4.7	178.3	-64.3	178.4	166.4	-149.2	-16.6	113.5	L352 F353 Y354 F599 N600	L352-R356 WeakPolarHBondContact O-CB 3.46Å; L352-R356 VanDerWaalsContact O-CD 3.31Å; L352-R356 WeakPolarHBondContact O-CD 3.43Å; L352-R356 VanDerWaalsContact O-CG 3.28Å; L352-R356 WeakPolarHBondContact O-CG 3.31Å; F353-R356 PolarHBondContact O-N 2.88Å; Y354-R356 PolarHBondContact O-N 3.4Å; R356-F599 VanDerWaalsContact CZ-O 3.24Å; R356-F599 PolarHBondContact NH1-O 3.31Å; R356-F599 PolarHBondContact NH2-O 3.24Å; R356-N600 PolarHBondContact NH1-O 3.47Å
357	G	53.4	Low	63.8	Low	55 Å²	55	142.8 Å²	142.8	57%	0.567	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	120.2	-174.9	0	0	0	0	0	114.3	F353 Y354	F353-G357 PolarHBondContact O-N 3.4Å; F353-G357 VanDerWaalsContact O-N 3.16Å; Y354-G357 PolarHBondContact O-N 2.88Å
358	P	49.5	Very low	61.8	Low	109 Å²	109	145.1 Å²	145.1	71%	0.708	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	cis	-114.9	152.9	-21.3	37.3	-25.9	0	0	0	112.2	R360	P358-R360 VanDerWaalsContact C-N 3.33Å; P358-R360 PolarHBondContact O-N 3.35Å
359	R	50.3	Low	59.7	Low	247 Å²	247	152.1 Å²	152.1	93%	0.932	67%	0.667	S	S	*	*			trans	-59.1	102.3	149.1	-90.8	-173.6	173.7	174.2	-0.7	107.4	Q361	R359-Q361 PolarHBondContact O-N 3.45Å
360	R	46.3	Very low	57.9	Low	230 Å²	230	162.8 Å²	162.8	87%	0.868	71%	0.708	S	S	*	*			trans	-46.4	116.1	173.4	-72.3	176.4	174.6	162	-1.3	108.1	P358 P362	P358-R360 VanDerWaalsContact C-N 3.33Å; P358-R360 PolarHBondContact O-N 3.35Å; R360-P362 VanDerWaalsContact O-N 3.11Å
361	Q	48.2	Very low	56	Low	178 Å²	178	166.2 Å²	166.2	83%	0.832	73%	0.731	S	S	*	*			trans	-52.1	124.6	168.5	-71.4	-174.3	2.3	0	0	107	R359 R363	R359-Q361 PolarHBondContact O-N 3.45Å; Q361-R363 PolarHBondContact O-N 3.02Å
362	P	45.3	Very low	54.1	Low	120 Å²	120	166.6 Å²	166.6	78%	0.779	74%	0.741	S	S	*	*			trans	-61.5	110.6	179	24	-32.1	0	0	0	106.9	R360 R364	R360-P362 VanDerWaalsContact O-N 3.11Å; P362-R364 WeakPolarHBondContact O-CA 3.25Å; P362-R364 PolarHBondContact O-N 3.25Å
363	R	48	Very low	52.1	Low	242 Å²	242	169.7 Å²	169.7	91%	0.913	77%	0.769	S	S	*	*			trans	-42.5	102.9	-177.9	-95.3	179.6	165.1	166.1	-5	107.9	Q361 R365	Q361-R363 PolarHBondContact O-N 3.02Å; R363-R365 WeakPolarHBondContact O-CA 3.43Å; R363-R365 PolarHBondContact O-N 3.42Å
364	R	43.4	Very low	50.5	Low	240 Å²	240	172.9 Å²	172.9	91%	0.906	79%	0.785	S	S	*	*			trans	-60.8	100.2	-167.8	-159.1	-179.4	-165.2	-169.3	6	106.8	P362 R366	P362-R364 WeakPolarHBondContact O-CA 3.25Å; P362-R364 PolarHBondContact O-N 3.25Å; R364-R366 PolarHBondContact O-N 2.85Å
365	R	46.7	Very low	48.6	Very low	238 Å²	238	174.1 Å²	174.1	90%	0.898	79%	0.79	S	S	*	*			trans	-50	108.2	-162.2	-81.2	-177.3	172.3	177.9	-2.8	108.5	R363 R367	R363-R365 WeakPolarHBondContact O-CA 3.43Å; R363-R365 PolarHBondContact O-N 3.42Å; R365-R367 PolarHBondContact O-N 3.05Å
366	R	49.3	Very low	46.9	Very low	246 Å²	246	182.8 Å²	182.8	93%	0.928	81%	0.813	S	S	*	*			trans	-64.8	90.4	175.2	-81	-172.6	173.5	-176.4	-1.4	107	R364 P368	R364-R366 PolarHBondContact O-N 2.85Å; R366-P368 WeakPolarHBondContact O-CD 3.22Å
367	R	51.4	Low	45.5	Very low	213 Å²	213	188.4 Å²	188.4	80%	0.804	84%	0.835	S	S	*	*			trans	-54.7	119.9	175.3	-73.2	-178.3	172.2	-177.3	-3.7	107.4	R365 R369	R365-R367 PolarHBondContact O-N 3.05Å; R367-R369 PolarHBondContact O-N 2.82Å
368	P	47.3	Very low	44.4	Very low	126 Å²	126	194.6 Å²	194.6	82%	0.818	85%	0.849	S	S	*	*			trans	-76.8	71.9	178.4	32	-34.9	0	0	0	110.1	R366 R370	R366-P368 WeakPolarHBondContact O-CD 3.22Å; P368-R370 PolarHBondContact O-N 2.77Å; P368-R370 VanDerWaalsContact O-N 3.11Å
369	R	42.6	Very low	43.4	Very low	232 Å²	232	198.4 Å²	198.4	88%	0.875	86%	0.858	S	S	*	*			trans	-76	91.9	165	-93.1	-169.6	167.9	-179.4	-5	108.8	R367	R367-R369 PolarHBondContact O-N 2.82Å
370	R	47.8	Very low	42.7	Very low	227 Å²	227	192.7 Å²	192.7	86%	0.857	85%	0.85	S	S	*	*			trans	-76	161.1	158.4	-75.5	-177.2	166.2	-178.8	-4.3	109.8	P368	P368-R370 PolarHBondContact O-N 2.77Å; P368-R370 VanDerWaalsContact O-N 3.11Å
371	V	46.8	Very low	42.3	Very low	138 Å²	138	188.4 Å²	188.4	84%	0.836	85%	0.849	S	S	*	*			trans	79.6	145.7	166.7	-160.2	0	0	0	0	116.4
372	I	45	Very low	41.8	Very low	155 Å²	155	186.9 Å²	186.9	80%	0.795	85%	0.852	S	S	*	*			trans	72.6	87.8	-172.9	-44.6	176.2	0	0	0	112.1
373	A	41.6	Very low	41.2	Very low	86 Å²	86	183.5 Å²	183.5	71%	0.711	84%	0.839	S	S	*	*			cis	83.7	130.8	31.5	0	0	0	0	0	115.6
374	H	45.4	Very low	40.3	Very low	175 Å²	175	179.8 Å²	179.8	81%	0.81	84%	0.837	S	S	*	*			trans	73.2	152.6	174.7	-95.8	58.5	0	0	0	120
375	Y	37.3	Very low	39.7	Very low	213 Å²	213	174.3 Å²	174.3	84%	0.835	83%	0.83	S	S	*	*			trans	75.7	71.8	174.2	-58.9	-69.6	0	0	0	120.7
376	R	36.3	Very low	38.9	Very low	251 Å²	251	170.5 Å²	170.5	95%	0.947	82%	0.822	S	S	*	*				-173.2	89.6	121.1	-105.5	177.1	176	179.8	-1.2	111.3
377	Y	34.4	Very low	37.9	Very low	236 Å²	236	166.4 Å²	166.4	93%	0.925	82%	0.819	S	S	*	*			trans	-136.3	39.7	168.4	-155.3	-94.3	0	0	0	111.7
378	Q	29.1	Very low	36.9	Very low	184 Å²	184	160.3 Å²	160.3	86%	0.86	82%	0.822	S	S	*	*			trans	-161.9	98.5	171.6	-134.4	169.5	-17.4	0	0	111
379	Q	29.2	Very low	35.9	Very low	189 Å²	189	161.7 Å²	161.7	88%	0.883	82%	0.822	S	S	*	*	S	Bend	trans	175.1	138.8	133	-100.6	178.7	-14.8	0	0	111.6
380	V	36.1	Very low	35.3	Very low	127 Å²	127	156.6 Å²	156.6	77%	0.77	81%	0.811	S	S	*	*	S	Bend	trans	54.5	70.9	166.2	-159.1	0	0	0	0	117.4
381	V	37.1	Very low	34.5	Very low	140 Å²	140	152.4 Å²	152.4	85%	0.848	81%	0.805	S	S	*	*				-135.6	66.1	115.4	-168.3	0	0	0	0	108.3
382	V	38.8	Very low	33.8	Very low	147 Å²	147	150.7 Å²	150.7	89%	0.891	80%	0.795	S	S	*	*			trans	-95.4	106.4	153.1	173	0	0	0	0	104.6
383	G	32.3	Very low	33.1	Very low	49 Å²	49	151.4 Å²	151.4	51%	0.505	80%	0.795	S	S	.	*			trans	169.2	111.7	-172.5	0	0	0	0	0	109.7
384	N	29.2	Very low	32.7	Very low	164 Å²	164	155.2 Å²	155.2	88%	0.877	80%	0.803	S	S	*	*			trans	90.3	77.9	-179.5	-52.9	2.6	0	0	0	115.4
385	V	31	Very low	31.9	Very low	125 Å²	125	149.5 Å²	149.5	76%	0.758	79%	0.791	S	S	*	*			trans	-113.2	157.5	145.3	-169.8	0	0	0	0	105.9
386	Q	29.4	Very low	31.6	Very low	157 Å²	157	146.1 Å²	146.1	73%	0.734	79%	0.793	S	S	*	*			trans	68.2	129.3	-163.4	-79.7	65	36.7	0	0	112.4
387	D	28.4	Very low	31.2	Very low	161 Å²	161	139.3 Å²	139.3	86%	0.861	78%	0.784	S	S	*	*			cis	-128	162.2	13.1	-75.3	-49.5	0	0	0	113.7
388	G	29.1	Very low	31	Very low	84 Å²	84	132.7 Å²	132.7	87%	0.866	77%	0.772	S	S	*	*			trans	159.6	76.5	178.5	0	0	0	0	0	112.7
389	L	27.8	Very low	31.1	Very low	155 Å²	155	132 Å²	132	81%	0.812	77%	0.773	S	S	*	*			trans	-118	150	-173	-173.9	67.1	0	0	0	111.4
390	I	30.3	Very low	31.7	Very low	126 Å²	126	127.7 Å²	127.7	65%	0.646	76%	0.761	S	S	*	*			trans	81.6	112.6	159	-92.7	160.6	0	0	0	118.2
391	N	29.6	Very low	31.3	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	77%	0.766	S	S	*	*			trans	73.7	153.2	131.4	-65.2	14.9	0	0	0	121.2
392	V	32.9	Very low	30.8	Very low	102 Å²	102	129 Å²	129	62%	0.618	76%	0.763	S	S	*	*			cis	-162.8	158	-14.3	124.5	0	0	0	0	108.7
393	E	30.8	Very low	31	Very low	171 Å²	171	127.8 Å²	127.8	80%	0.799	76%	0.758	S	S	*	*			trans	24.9	142.7	156.2	-61.3	164.9	141.2	0	0	120.6
394	D	31.9	Very low	30.8	Very low	166 Å²	166	129.6 Å²	129.6	89%	0.888	77%	0.768	S	S	*	*				-158	-178	62.7	-141.6	-31.4	0	0	0	115.6
395	G	29.9	Very low	30.7	Very low	54 Å²	54	131 Å²	131	56%	0.557	77%	0.769	S	S	*	*			trans	-55.8	146.3	-163	0	0	0	0	0	118.8
396	V	29.6	Very low	30.6	Very low	142 Å²	142	129.1 Å²	129.1	86%	0.861	77%	0.766	S	S	*	*				73.9	106.5	59.9	172.9	0	0	0	0	111.6
397	S	28.9	Very low	31.3	Very low	109 Å²	109	126.8 Å²	126.8	76%	0.762	77%	0.765	S	S	*	*				178.1	160.3	85.7	29.8	0	0	0	0	110.4
398	S	29.9	Very low	31.2	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	77%	0.765	S	S	*	*			cis	-164.6	132.9	-10.3	49.6	0	0	0	0	113.2
399	L	31.3	Very low	31	Very low	168 Å²	168	127.2 Å²	127.2	88%	0.88	76%	0.759	S	S	*	*			trans	66.5	161.7	140.1	-70	169.2	0	0	0	120.1
400	P	40.9	Very low	31	Very low	99 Å²	99	125 Å²	125	64%	0.643	76%	0.757	S	S	*	*			trans	-128.1	-172.1	-140.3	45.4	-32.6	0	0	0	114.8
401	I	29	Very low	32	Very low	167 Å²	167	123.8 Å²	123.8	86%	0.856	76%	0.757	S	S	*	*				-174.8	131.1	125.5	-94.8	154	0	0	0	110.6
402	T	25.5	Very low	32	Very low	128 Å²	128	126 Å²	126	79%	0.785	76%	0.763	S	S	*	*			trans	-98.1	165.2	165.1	20.8	0	0	0	0	109.4
403	P	42.6	Very low	31.7	Very low	121 Å²	121	125.7 Å²	125.7	79%	0.786	77%	0.765	S	S	*	*			cis	-139.4	-177.5	21.3	42.1	-22.9	0	0	0	117.3
404	A	28.8	Very low	31.6	Very low	87 Å²	87	126.1 Å²	126.1	72%	0.719	77%	0.772	S	S	*	*			trans	-21.8	151	160.6	0	0	0	0	0	119.9
405	Q	27.9	Very low	31.4	Very low	195 Å²	195	120.8 Å²	120.8	91%	0.911	76%	0.757	S	S	*	*				-163.5	151.5	103.8	-103.1	171.4	16.9	0	0	113.4
406	A	29	Very low	31.2	Very low	84 Å²	84	123.7 Å²	123.7	69%	0.694	77%	0.768	S	S	*	*			trans	-92.3	-174.5	160.3	0	0	0	0	0	107.8
407	P	42.7	Very low	31	Very low	108 Å²	108	123.9 Å²	123.9	70%	0.701	76%	0.764	S	S	*	*			cis	-152.8	-166.4	20.9	38.4	-13	0	0	0	117.7
408	L	26.9	Very low	30.8	Very low	164 Å²	164	124.2 Å²	124.2	86%	0.859	76%	0.761	S	S	*	*			trans	80.5	147.5	138.8	-99.7	158.9	0	0	0	122.9
409	A	24.6	Very low	30.5	Very low	90 Å²	90	124.9 Å²	124.9	74%	0.744	77%	0.766	S	S	*	*			trans	80.2	113	152	0	0	0	0	0	121.3
410	S	29.1	Very low	30.3	Very low	110 Å²	110	123.5 Å²	123.5	77%	0.769	77%	0.765	S	S	*	*			trans	-81.7	-177.3	147.1	57.8	0	0	0	0	109.6
411	P	49.7	Very low	29.5	Very low	99 Å²	99	124.2 Å²	124.2	64%	0.643	77%	0.772	S	S	*	*			cis	-143.6	-161.1	15.8	44.9	-23.8	0	0	0	116.1
412	E	29.5	Very low	29.5	Very low	184 Å²	184	125.8 Å²	125.8	86%	0.86	78%	0.776	S	S	*	*			trans	68	161.5	159.2	-72.1	170.9	-146.3	0	0	118.2
413	S	27.5	Very low	29.6	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	78%	0.783	S	S	*	*			cis	-179.1	121	-31.8	175.4	0	0	0	0	107.8
414	L	29.3	Very low	28.8	Very low	179 Å²	179	127.9 Å²	127.9	94%	0.937	78%	0.782	S	S	*	*			trans	171.4	161.6	151.8	-97.6	157.2	0	0	0	109.4
415	G	26.6	Very low	28.7	Very low	55 Å²	55	132.6 Å²	132.6	57%	0.567	79%	0.79	S	S	*	*			trans	-139	175.3	-175.2	0	0	0	0	0	114.1
416	S	25.7	Very low	28.6	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	79%	0.788	S	S	*	*			trans	68.4	142.7	-177.2	80.3	0	0	0	0	114
417	L	24.9	Very low	28.5	Very low	147 Å²	147	130.9 Å²	130.9	77%	0.77	79%	0.785	S	S	*	*			cis	-144.8	153.8	24.1	-78	164.5	0	0	0	113.8
418	T	25.1	Very low	27.7	Very low	115 Å²	115	132 Å²	132	71%	0.706	79%	0.79	S	S	*	*			trans	42.6	110.9	144.1	61.5	0	0	0	0	122.7
419	S	24.2	Very low	27.8	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	78%	0.783	S	S	*	*				61.1	96.2	129.4	66.8	0	0	0	0	121.9
420	T	26.1	Very low	28	Very low	140 Å²	140	133.4 Å²	133.4	86%	0.859	79%	0.788	S	S	*	*				-127.2	130.1	129.1	49.2	0	0	0	0	106.7
421	S	24.2	Very low	27.9	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	78%	0.782	S	S	*	*			cis	83.3	65.8	47.5	-173.3	0	0	0	0	114.4
422	E	28.6	Very low	26.8	Very low	200 Å²	200	135 Å²	135	94%	0.935	79%	0.789	S	S	*	*			trans	-145.1	125	142.1	-116.5	-178.7	174.2	0	0	108.5
423	Q	28.6	Very low	26.7	Very low	198 Å²	198	131.8 Å²	131.8	93%	0.925	79%	0.786	S	S	*	*			trans	-153.4	95.4	-165.9	-167	172.7	8.7	0	0	113.4
424	A	25.1	Very low	27.4	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	79%	0.791	S	S	*	*			trans	-155.7	149.6	162.3	0	0	0	0	0	107.3
425	Q	26.6	Very low	27.1	Very low	186 Å²	186	132.3 Å²	132.3	87%	0.869	79%	0.789	S	S	*	*			cis	-128.6	169.5	25.6	-66	-179.3	-22.1	0	0	115
426	L	25.8	Very low	27	Very low	167 Å²	167	135.4 Å²	135.4	87%	0.874	80%	0.797	S	S	*	*			trans	-43.7	158.9	170.7	-80.9	67.8	0	0	0	115.7
427	A	26.8	Very low	27	Very low	76 Å²	76	135.8 Å²	135.8	63%	0.628	80%	0.799	S	S	*	*			cis	-160.2	140.6	-0.6	0	0	0	0	0	114.1
428	T	27.2	Very low	27.3	Very low	131 Å²	131	137 Å²	137	80%	0.804	81%	0.805	S	S	*	*			trans	14.8	145.6	139.4	56.8	0	0	0	0	121.8
429	S	27.8	Very low	27.4	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	81%	0.814	S	S	*	*			cis	-172.1	156.1	-5.4	47.9	0	0	0	0	113.2
430	E	29.7	Very low	27.5	Very low	179 Å²	179	135 Å²	135	84%	0.836	81%	0.805	S	S	*	*			trans	-3.1	156.2	141.6	-69.7	171.4	-176.7	0	0	120.9
431	S	26.8	Very low	27.4	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	81%	0.81	S	S	*	*			cis	-171.5	-177.5	-11.1	59.9	0	0	0	0	112
432	L	26.8	Very low	27.5	Very low	151 Å²	151	136.7 Å²	136.7	79%	0.791	81%	0.805	S	S	*	*			trans	69.4	113.6	155.9	-73.1	166.9	0	0	0	121.9
433	S	26.5	Very low	28.2	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	80%	0.8	S	S	*	*			trans	67.9	154.6	149.1	48.3	0	0	0	0	120.3
434	P	42.7	Very low	28.1	Very low	120 Å²	120	131.6 Å²	131.6	78%	0.779	80%	0.797	S	S	*	*			trans	-111.5	142	-162.8	38.3	-27.9	0	0	0	114.8
435	L	23.1	Very low	28.3	Very low	168 Å²	168	130.6 Å²	130.6	88%	0.88	79%	0.788	S	S	*	*			trans	-154.2	154.1	159.3	-108.2	169.7	0	0	0	112.3
436	T	25.1	Very low	28.2	Very low	120 Å²	120	128.6 Å²	128.6	74%	0.736	79%	0.789	S	S	*	*			trans	-36.1	148.9	176.7	50.8	0	0	0	0	119.2
437	S	25.3	Very low	28.2	Very low	122 Å²	122	124.4 Å²	124.4	85%	0.853	79%	0.786	S	S	*	*				-178	176.2	117.2	46.6	0	0	0	0	114.4
438	L	32	Very low	28.2	Very low	171 Å²	171	130.7 Å²	130.7	90%	0.895	80%	0.803	S	S	*	*			trans	-84.8	159.8	-161.1	-74.3	65.9	0	0	0	115.7
439	S	25.7	Very low	28.1	Very low	127 Å²	127	129.7 Å²	129.7	89%	0.888	80%	0.801	S	S	*	*			trans	-157.2	141.1	137.9	-173.2	0	0	0	0	109.5
440	G	26.2	Very low	28	Very low	58 Å²	58	132.7 Å²	132.7	60%	0.598	81%	0.808	S	S	*	*			cis	145.2	131.3	-5.4	0	0	0	0	0	112.5
441	Q	25.6	Very low	27.9	Very low	206 Å²	206	128.3 Å²	128.3	96%	0.963	80%	0.797	S	S	*	*			trans	-167	150.8	161.2	-114.2	164.5	36.3	0	0	112.5
442	A	25.5	Very low	28	Very low	83 Å²	83	131.3 Å²	131.3	69%	0.686	81%	0.806	S	S	*	*			trans	-121.7	178	173.2	0	0	0	0	0	109.7
443	P	42.9	Very low	28	Very low	126 Å²	126	132.1 Å²	132.1	82%	0.818	81%	0.81	S	S	*	*				-144	172.3	105.7	38.3	-24.3	0	0	0	116.8
444	L	27.5	Very low	28.5	Very low	165 Å²	165	132 Å²	132	86%	0.864	81%	0.807	S	S	*	*			trans	-58.2	168.1	171.8	-81.6	75.5	0	0	0	114.3
445	A	28.5	Very low	27.6	Very low	74 Å²	74	132 Å²	132	61%	0.612	81%	0.81	S	S	*	*			cis	-173.3	-159.8	-17	0	0	0	0	0	109.2
446	T	25.6	Very low	28	Very low	145 Å²	145	129.7 Å²	129.7	89%	0.89	80%	0.802	S	S	*	*			trans	69.5	122.2	-177.1	70.4	0	0	0	0	114.7
447	G	25.2	Very low	28.2	Very low	79 Å²	79	128.7 Å²	128.7	81%	0.814	80%	0.8	S	S	*	*			cis	118.1	100.8	-16.1	0	0	0	0	0	114.4
448	E	25.8	Very low	28.5	Very low	208 Å²	208	130.4 Å²	130.4	97%	0.972	80%	0.795	S	S	*	*			trans	-151.6	162.1	157	-132.1	168.4	-152.7	0	0	108.7
449	S	25.1	Very low	28.5	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	79%	0.789	S	S	*	*			trans	-150.1	130	-166.7	157.2	0	0	0	0	111.5
450	L	26.6	Very low	28.7	Very low	168 Å²	168	127.6 Å²	127.6	88%	0.88	78%	0.776	S	S	*	*			trans	-151.7	162.4	146.7	-130.5	112.7	0	0	0	111.9
451	S	27.5	Very low	28.7	Very low	87 Å²	87	136.7 Å²	136.7	61%	0.608	79%	0.792	S	S	*	*			trans	-88.5	163.7	-171.1	55.9	0	0	0	0	113.9
452	D	28	Very low	28.9	Very low	156 Å²	156	134.8 Å²	134.8	83%	0.834	78%	0.783	S	S	*	*				-166	167.6	109.6	-90.8	-9.3	0	0	0	113
453	L	27.5	Very low	28.9	Very low	167 Å²	167	136.3 Å²	136.3	87%	0.874	79%	0.789	S	S	*	*			trans	-106.4	175	-171.3	-80.9	161.9	0	0	0	111.5
454	P	37.1	Very low	28.3	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	79%	0.79	S	S	*	*			cis	-126.4	-169.5	-16.4	32.8	-13.2	0	0	0	112.4
455	S	24.7	Very low	28.1	Very low	121 Å²	121	136.3 Å²	136.3	85%	0.846	79%	0.785	S	S	*	*			trans	-139.1	154.9	155.9	60.6	0	0	0	0	111.5
456	T	29.8	Very low	28.1	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.724	80%	0.797	S	S	*	*			trans	-134.3	145.4	-168.4	47.5	0	0	0	0	112.4
457	S	29.6	Very low	28	Very low	99 Å²	99	142.9 Å²	142.9	69%	0.692	79%	0.793	S	S	*	*			trans	45.2	104.6	154.8	58.3	0	0	0	0	118.1
458	E	31.3	Very low	28	Very low	159 Å²	159	148.6 Å²	148.6	74%	0.743	80%	0.796	S	S	*	*				86.1	127.7	74.7	-86.6	-156.3	117.8	0	0	116.1
459	Q	32.3	Very low	28.1	Very low	164 Å²	164	145.7 Å²	145.7	77%	0.766	79%	0.787	S	S	*	*			trans	67.7	156	142.2	-69	-170.4	30.7	0	0	119.4
460	A	29.6	Very low	28.1	Very low	75 Å²	75	143.9 Å²	143.9	62%	0.62	79%	0.786	S	S	*	*			cis	-150.3	166.2	-8.3	0	0	0	0	0	111.5
461	R	28.2	Very low	28	Very low	249 Å²	249	146.6 Å²	146.6	94%	0.94	79%	0.791	S	S	*	*			trans	-79.3	135.6	161	-76.7	178.5	168.7	163.7	-5	109.8
462	H	28.2	Very low	28.1	Very low	166 Å²	166	150.8 Å²	150.8	77%	0.769	80%	0.801	S	S	*	*			trans	-99.4	132.4	167	-91.2	-88.1	0	0	0	111.6
463	S	26.1	Very low	28.1	Very low	114 Å²	114	148 Å²	148	80%	0.797	80%	0.799	S	S	*	*			trans	-129.5	137.3	156.9	57.4	0	0	0	0	107.3
464	Y	30.3	Very low	28.1	Very low	219 Å²	219	146.7 Å²	146.7	86%	0.859	79%	0.793	S	S	*	*			trans	-89	137.3	-174.6	-91.3	-90.3	0	0	0	111.5
465	G	24.3	Very low	27.7	Very low	72 Å²	72	149 Å²	149	74%	0.742	80%	0.8	S	S	*	*			trans	-133.9	135.1	164.7	0	0	0	0	0	109.7
466	V	27.2	Very low	27.9	Very low	144 Å²	144	148 Å²	148	87%	0.873	79%	0.793	S	S	*	*			trans	-105	135.4	169.3	177.6	0	0	0	0	107.7
467	R	24.3	Very low	27.9	Very low	213 Å²	213	150.4 Å²	150.4	80%	0.804	80%	0.799	S	S	*	*			trans	-111.2	138.4	-168.5	-179.9	-162.5	-101.2	-178.9	-6.1	110.1
468	F	25.6	Very low	28.3	Very low	200 Å²	200	152.9 Å²	152.9	88%	0.877	80%	0.803	S	S	*	*			trans	-130.8	158.2	154.1	-100.7	-82.8	0	0	0	110.7
469	N	27.2	Very low	28.3	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	81%	0.806	S	S	*	*			trans	-78	150	-167.2	-68.1	-19.1	0	0	0	112.6
470	G	25.3	Very low	28.1	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	81%	0.805	S	S	*	*			trans	-85.4	170.8	172.8	0	0	0	0	0	113.6
471	F	24.8	Very low	28.1	Very low	224 Å²	224	154.7 Å²	154.7	98%	0.982	82%	0.818	S	S	*	*			trans	-126.6	152.2	159.7	-108.3	-92.9	0	0	0	108.4
472	Q	28.3	Very low	28	Very low	176 Å²	176	150.6 Å²	150.6	82%	0.822	81%	0.813	S	S	*	*			trans	-107.4	129.4	-177.8	179	-179.3	-2.9	0	0	110.2
473	A	28.8	Very low	28	Very low	97 Å²	97	153.8 Å²	153.8	80%	0.802	82%	0.818	S	S	*	*			trans	-155.4	131.5	161.6	0	0	0	0	0	108.6
474	D	27.7	Very low	28	Very low	140 Å²	140	155.9 Å²	155.9	75%	0.749	82%	0.82	S	S	*	*			trans	-74.3	142.8	162	-60.4	-75.4	0	0	0	108.8
475	D	27.3	Very low	27.9	Very low	162 Å²	162	157.2 Å²	157.2	87%	0.866	82%	0.824	S	S	*	*				-171.4	160.6	105.6	-123.6	-36.5	0	0	0	112.6
476	S	28.8	Very low	28.1	Very low	100 Å²	100	157.6 Å²	157.6	70%	0.699	82%	0.82	S	S	*	*			trans	-94	136	178.8	65.2	0	0	0	0	112.8
477	I	30.4	Very low	28.2	Very low	168 Å²	168	159.9 Å²	159.9	86%	0.862	82%	0.821	S	S	*	*			trans	-158.2	145.1	158.6	-102.4	143.2	0	0	0	110.7
478	I	38.5	Very low	28.4	Very low	151 Å²	151	154.6 Å²	154.6	77%	0.774	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-97.9	134.8	178.3	-60.8	161.6	0	0	0	109.6
479	P	31.4	Very low	28.6	Very low	123 Å²	123	154.7 Å²	154.7	80%	0.799	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-97.8	125.6	164.1	28.3	-17.1	0	0	0	111.8
480	T	28.4	Very low	28.5	Very low	122 Å²	122	151.6 Å²	151.6	75%	0.748	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-87.2	142.5	175.9	46.8	0	0	0	0	113.2
481	E	28	Very low	28.6	Very low	191 Å²	191	160.4 Å²	160.4	89%	0.893	84%	0.839	S	S	*	*			trans	13.3	110.7	145.7	-164.2	171.1	-143.1	0	0	117.9
482	I	27.8	Very low	28.7	Very low	163 Å²	163	153.4 Å²	153.4	84%	0.836	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-90.3	127.3	174.8	-64.1	179.9	0	0	0	110.6
483	R	26.5	Very low	28.7	Very low	233 Å²	233	151 Å²	151	88%	0.879	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-97.1	118.7	-177.4	179.7	177.7	-179.5	165.3	1.6	111.7
484	N	28	Very low	28.6	Very low	158 Å²	158	152.6 Å²	152.6	85%	0.845	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-60.9	145.3	172.7	-75.2	-21.1	0	0	0	112.4
485	R	26.3	Very low	28.6	Very low	247 Å²	247	153.4 Å²	153.4	93%	0.932	83%	0.826	S	S	*	*			trans	-142.1	132	169	-173.1	173.7	-172	144.5	4.6	110
486	A	30.2	Very low	28.6	Very low	79 Å²	79	151.6 Å²	151.6	65%	0.653	82%	0.817	S	S	*	*			trans	-96.4	154.9	177.9	0	0	0	0	0	112.4
487	E	29.7	Very low	28.7	Very low	193 Å²	193	153.5 Å²	153.5	90%	0.902	81%	0.814	S	S	*	*			trans	38.3	131.1	145.3	-63.3	177.8	-176.4	0	0	121.9
488	A	28.5	Very low	28.7	Very low	101 Å²	101	152.9 Å²	152.9	84%	0.835	81%	0.808	S	S	*	*				-161.2	151.2	120.5	0	0	0	0	0	112.1
489	H	28.9	Very low	28.3	Very low	203 Å²	203	153.2 Å²	153.2	94%	0.94	81%	0.811	S	S	*	*			trans	-61.1	155.9	-177.7	-81.8	25.9	0	0	0	116.8
490	G	25.8	Very low	28.2	Very low	82 Å²	82	152.1 Å²	152.1	85%	0.845	81%	0.806	S	S	*	*			trans	-161.6	129.6	156.5	0	0	0	0	0	111.7
491	R	27.5	Very low	28.3	Very low	256 Å²	256	154.6 Å²	154.6	97%	0.966	82%	0.815	S	S	*	*			trans	-131.8	127.7	-173.8	-171.9	-172.5	-166.9	-145.7	6	110.5
492	G	26.2	Very low	28.5	Very low	77 Å²	77	153.9 Å²	153.9	79%	0.794	81%	0.812	S	S	*	*			trans	-164.3	89.6	-174.8	0	0	0	0	0	116.5
493	V	27.3	Very low	28.5	Very low	125 Å²	125	151 Å²	151	76%	0.758	81%	0.806	S	S	*	*			trans	-17.1	135	160.6	-174.9	0	0	0	0	119.5
494	T	27	Very low	28.7	Very low	130 Å²	130	147.7 Å²	147.7	80%	0.798	81%	0.805	S	S	*	*			trans	165.3	128.3	131.5	40.6	0	0	0	0	108.5
495	H	27.7	Very low	28.8	Very low	158 Å²	158	144.6 Å²	144.6	73%	0.731	80%	0.796	S	S	*	*				51.4	117.3	61.7	-81.2	-50	0	0	0	113.2
496	D	28.3	Very low	28.9	Very low	124 Å²	124	137.5 Å²	137.5	66%	0.663	78%	0.783	S	S	*	*			cis	-151.1	-148.2	-2.9	-78.2	-53.6	0	0	0	107.8
497	H	31.4	Very low	29.1	Very low	140 Å²	140	141 Å²	141	65%	0.648	79%	0.791	S	S	*	*			cis	-163.8	145.6	6.4	-151.6	-99.8	0	0	0	109.6
498	E	30.2	Very low	29.4	Very low	155 Å²	155	138.8 Å²	138.8	72%	0.724	78%	0.781	S	S	*	*			trans	59.3	162.2	172.6	-82.6	133.2	-169.6	0	0	117.5
499	D	28.6	Very low	29.4	Very low	158 Å²	158	141 Å²	141	85%	0.845	77%	0.774	S	S	*	*			cis	-127.1	167.5	14.4	-108.3	-45.6	0	0	0	113.9
500	S	29.6	Very low	29.5	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	77%	0.765	S	S	*	*			trans	-118.2	149.7	179.4	58.3	0	0	0	0	113.1
501	D	31	Very low	29.6	Very low	174 Å²	174	139 Å²	139	93%	0.93	76%	0.764	S	S	*	*			trans	-125.3	130.5	161.9	-110.4	-34.9	0	0	0	110
502	E	31.3	Very low	29.8	Very low	176 Å²	176	136.7 Å²	136.7	82%	0.822	76%	0.764	S	S	*	*			trans	-95.5	152.8	177.1	-64.7	-168.9	120.8	0	0	111.7
503	S	29.7	Very low	29.8	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	76%	0.761	S	S	*	*				169.8	127.5	109	45.9	0	0	0	0	115.2
504	L	30.3	Very low	30.9	Very low	165 Å²	165	136.4 Å²	136.4	86%	0.864	76%	0.763	S	S	*	*				53.3	145	126.9	-55.5	173	0	0	0	121.2
505	S	30	Very low	31.1	Very low	93 Å²	93	136.2 Å²	136.2	65%	0.65	77%	0.767	S	S	*	*			cis	-173.9	-170.4	-11.9	56.7	0	0	0	0	110.3
506	S	28.7	Very low	31	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	77%	0.771	S	S	*	*			trans	91.4	110.1	173	-27.6	0	0	0	0	114.2
507	D	34	Very low	31.3	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	78%	0.782	S	S	*	*				89.1	133.8	52.2	-66.2	-26.3	0	0	0	111.9
508	E	35.3	Very low	31.8	Very low	148 Å²	148	135.4 Å²	135.4	69%	0.692	79%	0.788	S	S	*	*			cis	-162.1	-162	3.8	-143.2	-155.9	-177.4	0	0	113
509	H	27.9	Very low	31.7	Very low	146 Å²	146	135.5 Å²	135.5	68%	0.676	79%	0.791	S	S	*	*			trans	94.9	91.3	155.2	-86.3	38	0	0	0	122.8
510	H	32	Very low	31.6	Very low	164 Å²	164	135.2 Å²	135.2	76%	0.759	79%	0.788	S	S	*	*				55.6	132.1	126.2	-57.6	-40.8	0	0	0	125.5
511	G	28.2	Very low	31.4	Very low	81 Å²	81	137.7 Å²	137.7	84%	0.835	79%	0.788	S	S	*	*			trans	169.3	124.9	153.3	0	0	0	0	0	115.5
512	H	30.7	Very low	31.2	Very low	207 Å²	207	135.3 Å²	135.3	96%	0.958	78%	0.776	S	S	*	*			trans	-108.3	165.2	177.2	-96.6	-43.5	0	0	0	113.2
513	G	26.6	Very low	31	Very low	70 Å²	70	130.4 Å²	130.4	72%	0.722	77%	0.772	S	S	*	*			trans	-80.9	-145	-178.7	0	0	0	0	0	115.3
514	P	50.2	Low	31	Very low	126 Å²	126	134.7 Å²	134.7	82%	0.818	78%	0.778	S	S	*	*			cis	-142.3	179.6	12.2	44.2	-25.7	0	0	0	117.8
515	S	30.8	Very low	30.9	Very low	126 Å²	126	137 Å²	137	88%	0.881	78%	0.782	S	S	*	*			trans	51.6	119.7	145.4	-175	0	0	0	0	122.9
516	G	27.1	Very low	30.7	Very low	78 Å²	78	136.1 Å²	136.1	80%	0.804	79%	0.787	S	S	*	*			trans	-175.3	126.5	159.2	0	0	0	0	0	116.2
517	K	33	Very low	30.6	Very low	208 Å²	208	138.6 Å²	138.6	90%	0.904	80%	0.797	S	S	*	*			trans	-106.7	160	169.4	-97	-178.5	-179.1	179	0	108.6
518	P	42.4	Very low	30.2	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	80%	0.795	S	S	*	*				-156.6	-169.3	58.2	43.4	-20.3	0	0	0	119
519	M	28.3	Very low	29.9	Very low	157 Å²	157	139.7 Å²	139.7	77%	0.773	80%	0.798	S	S	*	*			trans	-23.9	152.8	168.9	-51.1	171.3	71.5	0	0	118.7
520	L	25.6	Very low	29.8	Very low	152 Å²	152	137.6 Å²	137.6	80%	0.796	81%	0.806	S	S	*	*				-163.9	173.8	75.6	-140.8	87.9	0	0	0	116.2
521	H	26.6	Very low	29.6	Very low	151 Å²	151	133.1 Å²	133.1	70%	0.699	80%	0.804	S	S	*	*			trans	-34.9	163.9	164.9	-85.6	-92.9	0	0	0	118.7
522	D	26.9	Very low	29.5	Very low	124 Å²	124	140 Å²	140	66%	0.663	81%	0.805	S	S	*	*			cis	-155	172.8	-8	-152.6	-57.2	0	0	0	108.6
523	G	27.2	Very low	29.3	Very low	73 Å²	73	135.7 Å²	135.7	75%	0.753	79%	0.788	S	S	*	*			trans	-175.9	32.9	179.2	0	0	0	0	0	118.3	K525	G523-K525 PolarHBondContact O-N 3.47Å
524	K	29	Very low	29.4	Very low	192 Å²	192	139.3 Å²	139.3	84%	0.835	79%	0.791	S	S	*	*			trans	-67.5	119.4	-177.6	-79.3	-175.3	176	177.7	0	115.6
525	K	27.5	Very low	28.3	Very low	214 Å²	214	140.1 Å²	140.1	93%	0.93	79%	0.788	S	S	*	*			trans	178.4	136.6	133.1	-97.7	163	-175.9	-179.5	0	108.3	G523	G523-K525 PolarHBondContact O-N 3.47Å
526	G	26.1	Very low	28.2	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	78%	0.78	S	S	*	*			cis	145.3	91.8	-0.5	0	0	0	0	0	109.6
527	V	26.3	Very low	28.2	Very low	148 Å²	148	142.9 Å²	142.9	90%	0.897	78%	0.775	S	S	*	*			trans	-118.6	148.9	177.9	81.1	0	0	0	0	109.8
528	Q	27.3	Very low	27.8	Very low	163 Å²	163	137.4 Å²	137.4	76%	0.762	76%	0.763	S	S	*	*			trans	-146.8	114.5	160.4	-168.9	150.3	17.6	0	0	108.6
529	E	27.3	Very low	27.1	Very low	160 Å²	160	138 Å²	138	75%	0.748	76%	0.763	S	S	*	*			trans	48.5	139.1	133.7	-63.6	175.8	140.8	0	0	120.5
530	A	26.1	Very low	26.9	Very low	102 Å²	102	140.3 Å²	140.3	84%	0.843	77%	0.769	S	S	*	*			cis	-151.8	155.7	-3.6	0	0	0	0	0	111.4
531	G	27.7	Very low	27	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	77%	0.771	S	S	*	*			trans	-136.4	133.1	163.5	0	0	0	0	0	109.2
532	R	26.7	Very low	26.9	Very low	226 Å²	226	135.1 Å²	135.1	85%	0.853	77%	0.774	S	S	*	*			trans	-163	152.5	172.4	-78.9	-154.8	153.5	118.1	3.6	108.7
533	D	27	Very low	26.8	Very low	116 Å²	116	135.4 Å²	135.4	62%	0.62	79%	0.785	S	S	*	*			cis	-165.2	172.5	-20.8	-95.2	-21.8	0	0	0	105.8
534	L	28.3	Very low	26.8	Very low	146 Å²	146	140.2 Å²	140.2	76%	0.764	79%	0.792	S	S	*	*			trans	76.7	127.2	169.8	-43.5	179.3	0	0	0	115.4
535	D	28	Very low	26.6	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	79%	0.788	S	S	*	*			cis	73.2	133.1	40.5	-50.2	-32.6	0	0	0	111.9
536	D	27.6	Very low	26.5	Very low	133 Å²	133	132 Å²	132	71%	0.711	79%	0.785	S	S	*	*			cis	-160.7	173.2	7.3	-156.9	-3.3	0	0	0	113.5
537	N	27.4	Very low	26.5	Very low	130 Å²	130	136.7 Å²	136.7	70%	0.695	79%	0.787	S	S	*	*			trans	68.9	108.7	143	-97.6	-53.4	0	0	0	123.8
538	S	25	Very low	26.6	Very low	93 Å²	93	138.3 Å²	138.3	65%	0.65	79%	0.785	S	S	*	*				74	102.4	113.1	-161.5	0	0	0	0	124.1
539	V	27.9	Very low	26.4	Very low	130 Å²	130	139.7 Å²	139.7	79%	0.788	79%	0.791	S	S	*	*				44.3	111.3	123.9	-173.6	0	0	0	0	120.3
540	K	24.2	Very low	26.3	Very low	207 Å²	207	139.9 Å²	139.9	90%	0.9	80%	0.796	S	S	*	*				-163.4	160.4	109.6	-129.4	166.3	-174.2	172.2	0	116
541	S	27.1	Very low	26.2	Very low	120 Å²	120	143.8 Å²	143.8	84%	0.839	79%	0.794	S	S	*	*			trans	-49.3	148.9	179.2	-175	0	0	0	0	116.7
542	G	24.2	Very low	26	Very low	73 Å²	73	146.1 Å²	146.1	75%	0.753	80%	0.798	S	S	*	*			trans	-178	101.2	163.2	0	0	0	0	0	113.3
543	C	25.6	Very low	25.9	Very low	131 Å²	131	142.3 Å²	142.3	89%	0.885	80%	0.795	S	S	*	*			trans	-77.6	130	166.5	-68.3	0	0	0	0	110.3
544	L	26.1	Very low	25.9	Very low	173 Å²	173	143 Å²	143	91%	0.906	80%	0.803	S	S	*	*			trans	-152.3	160.2	156	-111.6	171.8	0	0	0	110
545	A	25.9	Very low	25.7	Very low	90 Å²	90	143.9 Å²	143.9	74%	0.744	81%	0.809	S	S	*	*			trans	-74.2	154.5	-171.8	0	0	0	0	0	113
546	V	25.7	Very low	25.7	Very low	145 Å²	145	141.5 Å²	141.5	88%	0.879	80%	0.803	S	S	*	*			trans	-115.3	108.1	163.7	177.7	0	0	0	0	107.5
547	E	26.2	Very low	25.6	Very low	172 Å²	172	140 Å²	140	80%	0.804	80%	0.799	S	S	*	*			trans	-109.2	150.2	169.2	-170	157.1	-149.4	0	0	108.7
548	E	27	Very low	25.5	Very low	181 Å²	181	145.1 Å²	145.1	85%	0.846	81%	0.809	S	S	*	*			trans	19	113.3	177.5	-61.3	-165.3	121.3	0	0	120.4
549	Q	23.5	Very low	25.4	Very low	192 Å²	192	143.8 Å²	143.8	90%	0.897	81%	0.809	S	S	*	*			trans	-102.2	107	143.6	-77.5	-169.9	-15.3	0	0	110.1
550	L	25.3	Very low	25.3	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	81%	0.814	S	S	*	*			trans	-139.2	117.7	145.3	-151.4	76.8	0	0	0	110
551	K	23.6	Very low	25.4	Very low	184 Å²	184	142.8 Å²	142.8	80%	0.8	81%	0.809	S	S	*	*			trans	-108.9	120.3	-172.4	-169.5	-176.8	-178.5	-171.4	0	108.9
552	C	24.2	Very low	25.6	Very low	119 Å²	119	145.3 Å²	145.3	80%	0.804	81%	0.807	S	S	*	*			trans	-114.3	136.4	167.2	-80.8	0	0	0	0	109.1
553	D	24.4	Very low	25.8	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	81%	0.806	S	S	*	*			trans	-79.8	156.9	-171.5	-68.8	-53.2	0	0	0	113.6
554	T	26.6	Very low	25.8	Very low	130 Å²	130	150.4 Å²	150.4	80%	0.798	80%	0.803	S	S	*	*			trans	-99.2	134.4	-176.4	40	0	0	0	0	113.1
555	N	24.7	Very low	25.9	Very low	165 Å²	165	150.1 Å²	150.1	88%	0.882	80%	0.801	S	S	*	*			trans	-169.7	144.4	151.4	-96.5	-43.5	0	0	0	107.3
556	S	27.5	Very low	26	Very low	92 Å²	92	154.2 Å²	154.2	64%	0.643	81%	0.807	S	S	*	*			cis	-156.8	151.5	4	52.2	0	0	0	0	111
557	T	25.3	Very low	26.1	Very low	101 Å²	101	152.3 Å²	152.3	62%	0.62	81%	0.806	S	S	*	*			trans	20.5	132.8	143.5	-5.7	0	0	0	0	118.6
558	W	26.2	Very low	26	Very low	239 Å²	239	153.3 Å²	153.3	91%	0.905	81%	0.811	S	S	*	*			cis	-152.4	166	41.3	-72.3	82.5	0	0	0	113.5
559	G	22.7	Very low	25.9	Very low	64 Å²	64	148.3 Å²	148.3	66%	0.66	81%	0.808	S	S	*	*			trans	-130.4	153.6	158.9	0	0	0	0	0	111.2
560	L	26	Very low	26	Very low	169 Å²	169	146.6 Å²	146.6	89%	0.885	80%	0.8	S	S	*	*			trans	-142	146.5	164.4	-79.9	176.9	0	0	0	108.3
561	N	26.6	Very low	26.1	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	79%	0.791	S	S	*	*			trans	-86	161.6	171.4	-61	-18.4	0	0	0	109.6
562	E	30	Very low	26.2	Very low	173 Å²	173	144.8 Å²	144.8	81%	0.808	79%	0.787	S	S	*	*				178	132.9	105.2	-94.2	165.4	-174.3	0	0	112.2
563	D	28	Very low	26.3	Very low	137 Å²	137	144.8 Å²	144.8	73%	0.733	78%	0.779	S	S	*	*			trans	62.1	118.5	137.2	-56.8	-7	0	0	0	124.5
564	E	27.1	Very low	26.3	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	78%	0.778	S	S	*	*				65.4	107.7	119.8	-163.9	173.5	-125.9	0	0	121.2
565	L	27.4	Very low	26.1	Very low	167 Å²	167	143.5 Å²	143.5	87%	0.874	78%	0.776	S	S	*	*				-156.1	144.1	115.6	-145.6	75.3	0	0	0	113.4
566	M	27.6	Very low	26.2	Very low	176 Å²	176	140.1 Å²	140.1	87%	0.867	77%	0.765	S	S	*	*			trans	-95.7	142.5	173	-74.7	-86.7	-144.3	0	0	112.1
567	A	28.2	Very low	26.1	Very low	104 Å²	104	144.2 Å²	144.2	86%	0.86	77%	0.774	S	S	*	*			trans	-156.6	126.2	155.9	0	0	0	0	0	112.4
568	H	23.9	Very low	26.2	Very low	194 Å²	194	144.5 Å²	144.5	90%	0.898	78%	0.78	S	S	*	*			trans	-85.6	147.9	169.8	-103.8	-88.6	0	0	0	111.2
569	G	26	Very low	26.2	Very low	76 Å²	76	141.6 Å²	141.6	78%	0.784	78%	0.777	S	S	*	*			trans	-160.2	139.6	167	0	0	0	0	0	110.5
570	H	25.3	Very low	26.4	Very low	156 Å²	156	146.4 Å²	146.4	72%	0.722	79%	0.787	S	S	*	*			trans	-123.8	149	-168.4	-139.1	-112.3	0	0	0	111.1
571	E	26.2	Very low	26.4	Very low	146 Å²	146	143 Å²	143	68%	0.682	78%	0.778	S	S	*	*			trans	50.9	120.8	149.9	-91.3	178.9	129.1	0	0	119
572	K	27.3	Very low	26.3	Very low	164 Å²	164	142 Å²	142	71%	0.713	78%	0.78	S	S	*	*				-178.2	155.2	66.8	-118.3	174.7	177.6	174.5	0	116.3
573	D	24.9	Very low	26.5	Very low	118 Å²	118	139.3 Å²	139.3	63%	0.631	78%	0.778	S	S	*	*			trans	44.7	127.6	141	-56.5	-17.1	0	0	0	124.3
574	N	23.9	Very low	27.4	Very low	145 Å²	145	137.9 Å²	137.9	78%	0.775	78%	0.776	S	S	*	*			trans	84.3	109.4	139.9	-69.5	-24.9	0	0	0	123.4
575	S	24.2	Very low	27.5	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	77%	0.774	S	S	*	*				93	144.1	120.6	70.2	0	0	0	0	122.7
576	S	25.2	Very low	28.2	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	77%	0.771	S	S	*	*			trans	67.1	111.2	158.4	44.1	0	0	0	0	121.8
577	E	26.6	Very low	28.1	Very low	177 Å²	177	127.7 Å²	127.7	83%	0.827	76%	0.764	S	S	*	*				70.4	110.7	123.6	-61.6	-177.7	128.8	0	0	122.5
578	S	26.1	Very low	28	Very low	108 Å²	108	129.2 Å²	129.2	76%	0.755	77%	0.767	S	S	*	*				90.3	143.3	122.9	73	0	0	0	0	122.1
579	E	27.8	Very low	28.1	Very low	178 Å²	178	125 Å²	125	83%	0.832	76%	0.759	S	S	*	*			trans	54.4	76.7	156.7	-63.9	-170	152.4	0	0	119.7
580	D	26.5	Very low	28	Very low	164 Å²	164	131.6 Å²	131.6	88%	0.877	77%	0.767	S	S	*	*			trans	-70.3	131.1	163.7	-146.9	-19.9	0	0	0	111.5
581	S	25.1	Very low	28.3	Very low	99 Å²	99	129 Å²	129	69%	0.692	76%	0.762	S	S	*	*			trans	-147.2	100.2	-171.9	-76.3	0	0	0	0	112.4
582	C	25	Very low	28.6	Very low	125 Å²	125	131.4 Å²	131.4	85%	0.845	77%	0.773	S	S	*	*			trans	-146.9	116.6	177.3	-94.1	0	0	0	0	114.3
583	P	34	Very low	28.8	Very low	118 Å²	118	126.8 Å²	126.8	77%	0.766	77%	0.772	S	S	*	*			trans	-120.8	170.9	160.8	39.6	-29.6	0	0	0	112.3
584	P	47.1	Very low	29.1	Very low	106 Å²	106	131 Å²	131	69%	0.688	79%	0.785	S	S	*	*			cis	-141.1	175.8	-40.9	40.4	-25.3	0	0	0	114
585	S	30	Very low	29.2	Very low	109 Å²	109	128.8 Å²	128.8	76%	0.762	78%	0.781	S	S	*	*			trans	72.5	167	150.8	83	0	0	0	0	117.3
586	P	41.8	Very low	29.9	Very low	124 Å²	124	130.9 Å²	130.9	81%	0.805	78%	0.777	S	S	*	*			cis	-134.1	170.1	9.5	43	-26.7	0	0	0	117.6
587	G	25.3	Very low	30.4	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	78%	0.781	S	S	*	*			trans	98.4	135.4	165.3	0	0	0	0	0	114.6
588	C	26.7	Very low	31	Very low	135 Å²	135	127.8 Å²	127.8	91%	0.912	76%	0.759	S	S	*	*			cis	-143	145.1	-7.9	-91.1	0	0	0	0	110.3
589	S	24.4	Very low	32.1	Very low	106 Å²	106	127.3 Å²	127.3	74%	0.741	74%	0.743	S	S	*	*			trans	-81.6	130.8	169	52.8	0	0	0	0	110.8
590	F	25.2	Very low	32.7	Very low	214 Å²	214	123.9 Å²	123.9	94%	0.939	73%	0.73	S	S	*	*			trans	-126	130.9	150.4	-141.9	-87.8	0	0	0	107.8
591	T	30.5	Very low	33.7	Very low	102 Å²	102	120.3 Å²	120.3	63%	0.626	72%	0.716	S	S	*	*			trans	-116.5	162.5	-169.7	47.2	0	0	0	0	111.8
592	E	32.8	Very low	34.9	Very low	197 Å²	197	120.7 Å²	120.7	92%	0.921	71%	0.711	S	S	*	*			trans	77.2	142.1	169.2	-49.3	-169.4	125.9	0	0	116.6
593	G	31	Very low	36.3	Very low	67 Å²	67	118 Å²	118	69%	0.691	68%	0.683	S	S	*	*	S	Bend	trans	112.8	49.2	172.6	0	0	0	0	0	117.7
594	F	31.3	Very low	37.5	Very low	205 Å²	205	113.8 Å²	113.8	90%	0.899	66%	0.655	S	S	*	*			trans	160.3	69.2	143.2	-89.2	-64.1	0	0	0	112
595	S	26.9	Very low	38.2	Very low	99 Å²	99	113 Å²	113	69%	0.692	65%	0.65	S	S	*	*			trans	-82.8	118.3	166.6	-171.5	0	0	0	0	110.1	D597	S595-D597 WeakPolarHBondContact CB-OD1 3.47Å; S595-D597 PolarHBondContact O-N 2.9Å; S595-D597 VanDerWaalsContact O-N 3.11Å; S595-D597 PolarHBondContact OG-OD1 3.45Å
596	F	37.9	Very low	40.1	Very low	151 Å²	151	112 Å²	112	66%	0.662	63%	0.632	S	S	*	*			trans	-78.2	86.4	168	-101.4	-87.1	0	0	0	109.7	L598 F599	F596-L598 HydrophobicContact CD1-CB 4.41Å; F596-L598 PolarHBondContact O-N 2.84Å; F596-F599 HydrophobicContact CB-CE2 4.41Å; F596-F599 WeakPolarHBondContact O-CD2 3.42Å
597	D	36.3	Very low	41.6	Very low	136 Å²	136	107.3 Å²	107.3	73%	0.727	60%	0.601	S	S	*	*			trans	-71.4	23.9	177.7	-80.2	16	0	0	0	114.1	S595 F599	S595-D597 WeakPolarHBondContact CB-OD1 3.47Å; S595-D597 PolarHBondContact O-N 2.9Å; S595-D597 VanDerWaalsContact O-N 3.11Å; S595-D597 PolarHBondContact OG-OD1 3.45Å; D597-F599 PolarHBondContact O-N 3.39Å
598	L	38.5	Very low	44.1	Very low	70 Å²	70	104.5 Å²	104.5	37%	0.366	57%	0.569	S	S	.	*			trans	-75.8	2.8	-179.6	-148.9	121	0	0	0	113.3	F596 Y603	F596-L598 HydrophobicContact CD1-CB 4.41Å; F596-L598 PolarHBondContact O-N 2.84Å; L598-Y603 HydrophobicContact CD2-CE1 4.5Å; L598-Y603 HydrophobicContact CG-CE1 4.19Å
599	F	48.8	Very low	46.7	Very low	98 Å²	98	105.6 Å²	105.6	43%	0.43	56%	0.559	S	S	.	*			trans	-119.3	30	-155.2	-77.4	-60.8	0	0	0	115.9	L352 R356 F596 D597	L352-F599 HydrophobicContact CD2-CD1 4.44Å; L352-F599 HydrophobicContact CD2-CE1 4.33Å; R356-F599 VanDerWaalsContact CZ-O 3.24Å; R356-F599 PolarHBondContact NH1-O 3.31Å; R356-F599 PolarHBondContact NH2-O 3.24Å; F596-F599 HydrophobicContact CB-CE2 4.41Å; F596-F599 WeakPolarHBondContact O-CD2 3.42Å; D597-F599 PolarHBondContact O-N 3.39Å
600	N	41.3	Very low	49.4	Very low	105 Å²	105	109 Å²	109	56%	0.561	56%	0.555	S	S	*	*			trans	-80.3	161.4	168.2	-108.2	-38.5	0	0	0	112.6	R356 D602 Y603	R356-N600 PolarHBondContact NH1-O 3.47Å; N600-D602 VanDerWaalsContact C-N 3.33Å; N600-D602 PolarHBondContact O-N 3.48Å; N600-Y603 WeakPolarHBondContact O-CB 3.31Å; N600-Y603 PolarHBondContact O-N 3.47Å
601	P	47.7	Very low	52.3	Low	89 Å²	89	99.3 Å²	99.3	58%	0.578	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-72.2	-24.7	-178.2	29.4	-33.3	0	0	0	113.2	Y603	P601-Y603 PolarHBondContact O-N 2.95Å
602	D	50.7	Low	54.9	Low	108 Å²	108	98.8 Å²	98.8	58%	0.578	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-68.5	6.5	176.3	-50.6	-46.1	0	0	0	113.9	N600 K606	N600-D602 VanDerWaalsContact C-N 3.33Å; N600-D602 PolarHBondContact O-N 3.48Å; D602-K606 WeakPolarHBondContact O-CD 3.36Å; D602-K606 WeakPolarHBondContact O-CE 3.39Å; D602-K606 WeakPolarHBondContact O-CG 3.31Å
603	Y	54.7	Low	57.5	Low	69 Å²	69	96 Å²	96	27%	0.271	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-88.4	-19.7	-176.2	-116.2	-85.5	0	0	0	114.9	L598 N600 P601 K606 V607	L598-Y603 HydrophobicContact CD2-CE1 4.5Å; L598-Y603 HydrophobicContact CG-CE1 4.19Å; N600-Y603 WeakPolarHBondContact O-CB 3.31Å; N600-Y603 PolarHBondContact O-N 3.47Å; P601-Y603 PolarHBondContact O-N 2.95Å; Y603-K606 HydrophobicContact CD1-CB 3.84Å; Y603-K606 HydrophobicContact CD1-CD 4.19Å; Y603-K606 HydrophobicContact CD2-CD 4.05Å; Y603-K606 HydrophobicContact CE1-CB 4.21Å; Y603-K606 HydrophobicContact CE1-CD 4.34Å; Y603-K606 HydrophobicContact CE2-CD 4.23Å; Y603-K606 HydrophobicContact CG-CB 4.33Å; Y603-K606 HydrophobicContact CG-CD 4.04Å; Y603-K606 CarbonylContact O-C 3.54Å; Y603-K606 WeakPolarHBondContact O-CA 3.29Å; Y603-K606 VanDerWaalsContact O-CB 3.31Å; Y603-K606 WeakPolarHBondContact O-CB 3.46Å; Y603-K606 PolarHBondContact O-N 3.28Å; Y603-V607 HydrophobicContact CD1-CG2 4.41Å; Y603-V607 PolarHBondContact O-N 2.92Å
604	V	58.9	Low	60.3	Low	29 Å²	29	97.4 Å²	97.4	18%	0.176	48%	0.476	C	S	.	.	H	α-helix	trans	-54.9	-55.1	179.8	179.1	0	0	0	0	112.2	Y291 I349 K606 V607 D608	Y291-V604 HydrophobicContact CD1-CG1 4.44Å; I349-V604 HydrophobicContact CG2-CG1 3.98Å; V604-K606 PolarHBondContact O-N 3Å; V604-K606 VanDerWaalsContact O-N 3.15Å; V604-V607 PolarHBondContact O-N 3.36Å; V604-D608 PolarHBondContact O-N 2.98Å
605	P	61.5	Low	63.1	Low	90 Å²	90	88.7 Å²	88.7	58%	0.584	44%	0.438	S	S	*	.	H	α-helix	trans	-71.8	-3.3	174.3	31.2	-37.6	0	0	0	114.1	K609	P605-K609 WeakPolarHBondContact O-CB 3.38Å
606	K	69.4	Low	66.1	Low	87 Å²	87	86.4 Å²	86.4	38%	0.378	42%	0.421	S	S	.	.	H	α-helix	trans	-86.5	-36.3	169.9	-60.1	176.4	-169.9	162.5	0	111	D602 Y603 V604 K609 W610	D602-K606 WeakPolarHBondContact O-CD 3.36Å; D602-K606 WeakPolarHBondContact O-CE 3.39Å; D602-K606 WeakPolarHBondContact O-CG 3.31Å; Y603-K606 HydrophobicContact CD1-CB 3.84Å; Y603-K606 HydrophobicContact CD1-CD 4.19Å; Y603-K606 HydrophobicContact CD2-CD 4.05Å; Y603-K606 HydrophobicContact CE1-CB 4.21Å; Y603-K606 HydrophobicContact CE1-CD 4.34Å; Y603-K606 HydrophobicContact CE2-CD 4.23Å; Y603-K606 HydrophobicContact CG-CB 4.33Å; Y603-K606 HydrophobicContact CG-CD 4.04Å; Y603-K606 CarbonylContact O-C 3.54Å; Y603-K606 WeakPolarHBondContact O-CA 3.29Å; Y603-K606 VanDerWaalsContact O-CB 3.31Å; Y603-K606 WeakPolarHBondContact O-CB 3.46Å; Y603-K606 PolarHBondContact O-N 3.28Å; V604-K606 PolarHBondContact O-N 3Å; V604-K606 VanDerWaalsContact O-N 3.15Å; K606-K609 PolarHBondContact O-N 2.87Å; K606-W610 VanDerWaalsContact O-CD1 3.32Å; K606-W610 PolarHBondContact O-N 3.23Å
607	V	74.4	Confident	68.6	Low	26 Å²	26	83.5 Å²	83.5	16%	0.158	41%	0.412	C	S	.	.	H	α-helix	trans	-61.7	-60.4	174.7	178.8	0	0	0	0	109.7	E345 I349 Y603 V604 K609 W610 S611	E345-V607 HydrophobicContact CG-CG1 4.01Å; I349-V607 HydrophobicContact CD1-CB 4.38Å; I349-V607 HydrophobicContact CD1-CG1 4.12Å; I349-V607 HydrophobicContact CG1-CB 4.48Å; I349-V607 HydrophobicContact CG1-CG1 4.22Å; Y603-V607 HydrophobicContact CD1-CG2 4.41Å; Y603-V607 PolarHBondContact O-N 2.92Å; V604-V607 PolarHBondContact O-N 3.36Å; V607-K609 PolarHBondContact O-N 3.08Å; V607-W610 PolarHBondContact O-N 3.18Å; V607-S611 PolarHBondContact O-N 3.23Å; V607-S611 PolarHBondContact O-OG 3.42Å
608	D	77.4	Confident	71.3	Confident	12 Å²	12	78.6 Å²	78.6	6%	0.064	39%	0.39	C	S	.	.	H	α-helix	trans	-49.4	-39.2	175.8	-80.4	-52.7	0	0	0	111.5	R297 V604 R612	R297-D608 IonicContact CZ-OD1 3.31Å; R297-D608 VanDerWaalsContact CZ-OD1 3.31Å; R297-D608 IonicContact NH1-OD1 2.91Å; R297-D608 PolarHBondContact NH1-OD1 3.41Å; R297-D608 VanDerWaalsContact NH2-CG 3.33Å; R297-D608 IonicContact NH2-OD1 2.78Å; R297-D608 PolarHBondContact NH2-OD1 3.13Å; R297-D608 IonicContact NH2-OD2 3.13Å; R297-D608 PolarHBondContact NH2-OD2 2.75Å; R297-D608 VanDerWaalsContact NH2-OD2 3.13Å; V604-D608 PolarHBondContact O-N 2.98Å; D608-R612 WeakPolarHBondContact O-CB 3.4Å; D608-R612 WeakPolarHBondContact O-CD 3.33Å; D608-R612 WeakPolarHBondContact O-CG 3.49Å; D608-R612 PolarHBondContact O-N 3.37Å
609	K	80.5	Confident	74	Confident	158 Å²	158	75.8 Å²	75.8	69%	0.687	38%	0.375	S	S	*	.	H	α-helix	trans	-70	-35.1	-179.6	-176.8	176.6	-180	-178.9	0	113.7	P605 K606 V607	P605-K609 WeakPolarHBondContact O-CB 3.38Å; K606-K609 PolarHBondContact O-N 2.87Å; V607-K609 PolarHBondContact O-N 3.08Å
610	W	81.9	Confident	76.1	Confident	178 Å²	178	72.6 Å²	72.6	67%	0.674	37%	0.37	S	S	*	.	H	α-helix	trans	-74.7	-42.9	172.2	-86.6	92.7	0	0	0	111	K606 V607 R612 F613 L614	K606-W610 VanDerWaalsContact O-CD1 3.32Å; K606-W610 PolarHBondContact O-N 3.23Å; V607-W610 PolarHBondContact O-N 3.18Å; W610-R612 VanDerWaalsContact C-N 3.32Å; W610-R612 PolarHBondContact O-N 3.19Å; W610-F613 PolarHBondContact O-N 2.93Å; W610-L614 WeakPolarHBondContact O-CB 3.42Å; W610-L614 PolarHBondContact O-N 2.88Å
611	S	85.1	Confident	78.6	Confident	9 Å²	9	72.7 Å²	72.7	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-53.8	-46.3	177	-54	0	0	0	0	112	E345 V607 F613 L614 F615	E345-S611 VanDerWaalsContact OE1-CB 3.27Å; E345-S611 WeakPolarHBondContact OE1-CB 3.34Å; E345-S611 PolarHBondContact OE1-OG 3.3Å; V607-S611 PolarHBondContact O-N 3.23Å; V607-S611 PolarHBondContact O-OG 3.42Å; S611-F613 PolarHBondContact O-N 2.89Å; S611-F613 VanDerWaalsContact O-N 3.08Å; S611-L614 PolarHBondContact O-N 3.16Å; S611-F615 WeakPolarHBondContact O-CD2 3.37Å; S611-F615 PolarHBondContact O-N 3.21Å; S611-F615 VanDerWaalsContact O-N 3.12Å
612	R	86.9	Confident	80.8	Confident	91 Å²	91	70.5 Å²	70.5	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-57.6	-19.9	177.6	-75.3	170.3	-160.8	-167.9	10.3	115.4	F287 W288 D608 W610 P616	F287-R612 HydrophobicContact CB-CG 3.83Å; F287-R612 PolarHBondContact O-NE 3.4Å; F287-R612 PolarHBondContact O-NH2 3.16Å; W288-R612 HydrophobicContact CZ2-CG 4.34Å; D608-R612 WeakPolarHBondContact O-CB 3.4Å; D608-R612 WeakPolarHBondContact O-CD 3.33Å; D608-R612 WeakPolarHBondContact O-CG 3.49Å; D608-R612 PolarHBondContact O-N 3.37Å; W610-R612 VanDerWaalsContact C-N 3.32Å; W610-R612 PolarHBondContact O-N 3.19Å; R612-P616 WeakPolarHBondContact O-CG 3.49Å
613	F	86.3	Confident	82.8	Confident	139 Å²	139	66.4 Å²	66.4	61%	0.61	33%	0.33	S	S	*	.	H	α-helix	trans	-107.1	-42	176.8	-175.6	-103.4	0	0	0	112.2	W610 S611 L617	W610-F613 PolarHBondContact O-N 2.93Å; S611-F613 PolarHBondContact O-N 2.89Å; S611-F613 VanDerWaalsContact O-N 3.08Å; F613-L617 HydrophobicContact CD1-CD1 4.46Å; F613-L617 HydrophobicContact CE1-CD1 3.61Å; F613-L617 HydrophobicContact CE2-CD1 4.49Å; F613-L617 HydrophobicContact CZ-CD1 3.63Å; F613-L617 VanDerWaalsContact O-CB 3.28Å; F613-L617 WeakPolarHBondContact O-CB 3.38Å; F613-L617 PolarHBondContact O-N 3.1Å
614	L	89.3	Confident	84.7	Confident	96 Å²	96	68.5 Å²	68.5	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-66.9	-44.2	-175.6	-172.6	60.6	0	0	0	112.6	W610 S611 L617 A618	W610-L614 WeakPolarHBondContact O-CB 3.42Å; W610-L614 PolarHBondContact O-N 2.88Å; S611-L614 PolarHBondContact O-N 3.16Å; L614-L617 PolarHBondContact O-N 3.14Å; L614-A618 VanDerWaalsContact O-CB 3.25Å; L614-A618 WeakPolarHBondContact O-CB 3.34Å; L614-A618 PolarHBondContact O-N 2.87Å
615	F	89.8	Confident	86.3	Confident	23 Å²	23	71.4 Å²	71.4	10%	0.101	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-50.7	-178.1	-80.4	-112.8	0	0	0	112.4	F287 F338 L341 S611 L617 A618 F619	F287-F615 HydrophobicContact CE1-CZ 4.48Å; F287-F615 HydrophobicContact CE2-CB 4.01Å; F287-F615 HydrophobicContact CE2-CD1 4.06Å; F287-F615 HydrophobicContact CE2-CD2 4Å; F287-F615 HydrophobicContact CE2-CE2 4.45Å; F287-F615 AromaticContact CE2-CG 3.79Å; F287-F615 HydrophobicContact CE2-CG 3.79Å; F287-F615 AromaticContact CZ-CD1 3.81Å; F287-F615 HydrophobicContact CZ-CD1 3.81Å; F287-F615 AromaticContact CZ-CD2 3.86Å; F287-F615 HydrophobicContact CZ-CD2 3.86Å; F287-F615 AromaticContact CZ-CE1 3.8Å; F287-F615 HydrophobicContact CZ-CE1 3.8Å; F287-F615 AromaticContact CZ-CE2 3.84Å; F287-F615 HydrophobicContact CZ-CE2 3.84Å; F287-F615 AromaticContact CZ-CG 3.84Å; F287-F615 HydrophobicContact CZ-CG 3.84Å; F287-F615 AromaticContact CZ-CZ 3.81Å; F287-F615 HydrophobicContact CZ-CZ 3.81Å; F338-F615 HydrophobicContact CD1-CD1 4.08Å; L341-F615 HydrophobicContact CB-CE1 3.63Å; L341-F615 HydrophobicContact CB-CZ 3.75Å; S611-F615 WeakPolarHBondContact O-CD2 3.37Å; S611-F615 PolarHBondContact O-N 3.21Å; S611-F615 VanDerWaalsContact O-N 3.12Å; F615-L617 VanDerWaalsContact C-N 3.33Å; F615-L617 PolarHBondContact O-N 3.42Å; F615-A618 PolarHBondContact O-N 3.33Å; F615-F619 WeakPolarHBondContact O-CB 3.36Å; F615-F619 PolarHBondContact O-N 2.92Å
616	P	90.8	Very high	87.8	Confident	51 Å²	51	67.7 Å²	67.7	33%	0.331	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-38.2	176.2	-24.5	34.6	0	0	0	113.7	W284 R612 G620	W284-P616 HydrophobicContact CD2-CG 4.45Å; W284-P616 HydrophobicContact CE3-CB 4.32Å; W284-P616 HydrophobicContact CE3-CG 3.8Å; W284-P616 HydrophobicContact CH2-CB 4.27Å; W284-P616 HydrophobicContact CZ3-CB 3.82Å; W284-P616 HydrophobicContact CZ3-CG 3.83Å; R612-P616 WeakPolarHBondContact O-CG 3.49Å; P616-G620 PolarHBondContact O-N 3.3Å
617	L	91.5	Very high	88.8	Confident	90 Å²	90	66.7 Å²	66.7	47%	0.471	33%	0.33	S	S	.	.	H	α-helix	trans	-68	-45.9	179.3	-174.9	151.9	0	0	0	111.5	F613 L614 F615 G620 L621	F613-L617 HydrophobicContact CD1-CD1 4.46Å; F613-L617 HydrophobicContact CE1-CD1 3.61Å; F613-L617 HydrophobicContact CE2-CD1 4.49Å; F613-L617 HydrophobicContact CZ-CD1 3.63Å; F613-L617 VanDerWaalsContact O-CB 3.28Å; F613-L617 WeakPolarHBondContact O-CB 3.38Å; F613-L617 PolarHBondContact O-N 3.1Å; L614-L617 PolarHBondContact O-N 3.14Å; F615-L617 VanDerWaalsContact C-N 3.33Å; F615-L617 PolarHBondContact O-N 3.42Å; L617-G620 PolarHBondContact O-N 2.87Å; L617-L621 WeakPolarHBondContact O-CB 3.47Å; L617-L621 PolarHBondContact O-N 3.01Å
618	A	92.8	Very high	89.6	Confident	33 Å²	33	69.5 Å²	69.5	27%	0.273	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-42.4	178.5	0	0	0	0	0	112.1	F338 L614 F615 L621 F622	F338-A618 HydrophobicContact CE1-CB 3.86Å; F338-A618 HydrophobicContact CZ-CB 3.9Å; L614-A618 VanDerWaalsContact O-CB 3.25Å; L614-A618 WeakPolarHBondContact O-CB 3.34Å; L614-A618 PolarHBondContact O-N 2.87Å; F615-A618 PolarHBondContact O-N 3.33Å; A618-L621 PolarHBondContact O-N 3.3Å; A618-F622 WeakPolarHBondContact O-CB 3.38Å; A618-F622 PolarHBondContact O-N 3.04Å
619	F	94.1	Very high	90.2	Very high	10 Å²	10	76.1 Å²	76.1	4%	0.044	37%	0.372	C	S	.	.	H	α-helix	trans	-69.1	-37.3	176.6	-172.5	-105.8	0	0	0	112.6	V277 T280 W284 F338 F615 F622 N623	V277-F619 HydrophobicContact CG1-CE1 4.35Å; V277-F619 HydrophobicContact CG2-CE1 4.27Å; V277-F619 HydrophobicContact CG2-CZ 4.16Å; T280-F619 HydrophobicContact CG2-CD2 4.03Å; T280-F619 HydrophobicContact CG2-CE2 3.83Å; T280-F619 HydrophobicContact CG2-CG 4.47Å; T280-F619 HydrophobicContact CG2-CZ 4.09Å; W284-F619 HydrophobicContact CH2-CB 3.77Å; W284-F619 AromaticContact CH2-CD1 3.65Å; W284-F619 HydrophobicContact CH2-CD1 3.65Å; W284-F619 AromaticContact CH2-CG 3.94Å; W284-F619 HydrophobicContact CH2-CG 3.94Å; W284-F619 HydrophobicContact CZ2-CB 3.59Å; W284-F619 AromaticContact CZ2-CD1 3.88Å; W284-F619 HydrophobicContact CZ2-CD1 3.88Å; W284-F619 AromaticContact CZ2-CG 3.76Å; W284-F619 HydrophobicContact CZ2-CG 3.76Å; F338-F619 AromaticContact CD2-CD2 3.71Å; F338-F619 HydrophobicContact CD2-CD2 3.71Å; F338-F619 HydrophobicContact CD2-CE2 4.43Å; F338-F619 HydrophobicContact CE2-CB 4.39Å; F338-F619 AromaticContact CE2-CD2 3.89Å; F338-F619 HydrophobicContact CE2-CD2 3.89Å; F338-F619 HydrophobicContact CG-CD2 4.3Å; F338-F619 HydrophobicContact CZ-CB 4.32Å; F615-F619 WeakPolarHBondContact O-CB 3.36Å; F615-F619 PolarHBondContact O-N 2.92Å; F619-F622 HydrophobicContact CD2-CD1 4.31Å; F619-F622 HydrophobicContact CE2-CD1 4.32Å; F619-F622 PolarHBondContact O-N 3.25Å; F619-N623 WeakPolarHBondContact CD1-ND2 3.31Å; F619-N623 WeakPolarHBondContact CE1-ND2 3.28Å; F619-N623 VanDerWaalsContact CZ-ND2 3.26Å; F619-N623 WeakPolarHBondContact CZ-ND2 3.38Å; F619-N623 PolarHBondContact O-N 3.27Å; F619-N623 PolarHBondContact O-ND2 3.29Å
620	G	92.6	Very high	90.5	Very high	31 Å²	31	70 Å²	70	32%	0.32	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-46.4	173.3	0	0	0	0	0	112.1	P616 L617 N623 I624	P616-G620 PolarHBondContact O-N 3.3Å; L617-G620 PolarHBondContact O-N 2.87Å; G620-N623 PolarHBondContact O-N 3.03Å; G620-I624 WeakPolarHBondContact O-CG1 3.31Å; G620-I624 PolarHBondContact O-N 3.4Å
621	L	94.1	Very high	90.4	Very high	107 Å²	107	67.1 Å²	67.1	56%	0.56	34%	0.341	S	S	*	.	H	α-helix	trans	-60.5	-46.5	174.7	-177.1	67.3	0	0	0	111.7	L617 A618 N623 I624 V625	L617-L621 WeakPolarHBondContact O-CB 3.47Å; L617-L621 PolarHBondContact O-N 3.01Å; A618-L621 PolarHBondContact O-N 3.3Å; L621-N623 VanDerWaalsContact C-N 3.35Å; L621-N623 PolarHBondContact O-N 3.19Å; L621-I624 PolarHBondContact O-N 3.34Å; L621-V625 WeakPolarHBondContact O-CG2 3.46Å; L621-V625 PolarHBondContact O-N 3.27Å
622	F	94.3	Very high	90	Very high	44 Å²	44	78.3 Å²	78.3	19%	0.193	38%	0.384	C	S	.	.	H	α-helix	trans	-55.8	-47.5	176	167	-109.8	0	0	0	111.9	Y331 V334 A618 F619 I624 V625 Y626	Y331-F622 AromaticContact CD2-CE1 3.66Å; Y331-F622 HydrophobicContact CD2-CE1 3.66Å; Y331-F622 AromaticContact CD2-CZ 3.8Å; Y331-F622 HydrophobicContact CD2-CZ 3.8Å; Y331-F622 AromaticContact CE2-CE1 3.66Å; Y331-F622 HydrophobicContact CE2-CE1 3.66Å; Y331-F622 HydrophobicContact CE2-CZ 4.24Å; Y331-F622 HydrophobicContact CG-CE1 4.5Å; V334-F622 HydrophobicContact CB-CE1 3.97Å; V334-F622 HydrophobicContact CB-CE2 4.07Å; V334-F622 HydrophobicContact CB-CZ 3.68Å; V334-F622 HydrophobicContact CG1-CD1 3.72Å; V334-F622 HydrophobicContact CG1-CD2 3.94Å; V334-F622 HydrophobicContact CG1-CE1 3.57Å; V334-F622 HydrophobicContact CG1-CE2 3.8Å; V334-F622 HydrophobicContact CG1-CG 3.91Å; V334-F622 HydrophobicContact CG1-CZ 3.61Å; V334-F622 HydrophobicContact CG2-CE2 3.97Å; V334-F622 HydrophobicContact CG2-CZ 4Å; A618-F622 WeakPolarHBondContact O-CB 3.38Å; A618-F622 PolarHBondContact O-N 3.04Å; F619-F622 HydrophobicContact CD2-CD1 4.31Å; F619-F622 HydrophobicContact CE2-CD1 4.32Å; F619-F622 PolarHBondContact O-N 3.25Å; F622-I624 PolarHBondContact O-N 3.2Å; F622-V625 PolarHBondContact O-N 2.95Å; F622-Y626 HydrophobicContact CE2-CD2 4.46Å; F622-Y626 HydrophobicContact CZ-CD2 4.2Å; F622-Y626 HydrophobicContact CZ-CG 4.48Å; F622-Y626 VanDerWaalsContact O-CB 3.29Å; F622-Y626 WeakPolarHBondContact O-CB 3.33Å; F622-Y626 PolarHBondContact O-N 3.32Å
623	N	93.6	Very high	90.1	Very high	22 Å²	22	77.7 Å²	77.7	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-62.6	-44.3	178.4	-84.1	-90.8	0	0	0	111.9	Y331 F619 G620 L621 V625 Y626 W627	Y331-N623 WeakPolarHBondContact CE2-OD1 3.32Å; Y331-N623 PolarHBondContact OH-OD1 3.04Å; F619-N623 WeakPolarHBondContact CD1-ND2 3.31Å; F619-N623 WeakPolarHBondContact CE1-ND2 3.28Å; F619-N623 VanDerWaalsContact CZ-ND2 3.26Å; F619-N623 WeakPolarHBondContact CZ-ND2 3.38Å; F619-N623 PolarHBondContact O-N 3.27Å; F619-N623 PolarHBondContact O-ND2 3.29Å; G620-N623 PolarHBondContact O-N 3.03Å; L621-N623 VanDerWaalsContact C-N 3.35Å; L621-N623 PolarHBondContact O-N 3.19Å; N623-V625 VanDerWaalsContact C-N 3.34Å; N623-V625 PolarHBondContact O-N 3.16Å; N623-Y626 PolarHBondContact O-N 3.01Å; N623-W627 WeakPolarHBondContact O-CB 3.22Å; N623-W627 PolarHBondContact O-N 3.02Å
624	I	93.2	Very high	90.3	Very high	113 Å²	113	74.5 Å²	74.5	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-58.4	-47.1	177.4	-68.4	164.8	0	0	0	110.7	G620 L621 F622 V628	G620-I624 WeakPolarHBondContact O-CG1 3.31Å; G620-I624 PolarHBondContact O-N 3.4Å; L621-I624 PolarHBondContact O-N 3.34Å; F622-I624 PolarHBondContact O-N 3.2Å; I624-V628 WeakPolarHBondContact O-CB 3.21Å; I624-V628 WeakPolarHBondContact O-CG2 3.49Å; I624-V628 PolarHBondContact O-N 2.95Å
625	V	93.7	Very high	90.4	Very high	90 Å²	90	73.3 Å²	73.3	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-45.2	178.6	174.2	0	0	0	0	111.5	L621 F622 N623 V628 Y629	L621-V625 WeakPolarHBondContact O-CG2 3.46Å; L621-V625 PolarHBondContact O-N 3.27Å; F622-V625 PolarHBondContact O-N 2.95Å; N623-V625 VanDerWaalsContact C-N 3.34Å; N623-V625 PolarHBondContact O-N 3.16Å; V625-V628 PolarHBondContact O-N 3.16Å; V625-Y629 VanDerWaalsContact O-CB 3.29Å; V625-Y629 WeakPolarHBondContact O-CB 3.41Å; V625-Y629 PolarHBondContact O-N 3.18Å
626	Y	92.9	Very high	90.4	Very high	12 Å²	12	76.2 Å²	76.2	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-50.6	179.4	-178.9	-92.1	0	0	0	112.3	M192 Y273 A327 Y331 F622 N623 V628 Y629 H630	M192-Y626 HydrophobicContact CE-CE1 4.07Å; Y273-Y626 AromaticContact CE1-CE1 3.69Å; Y273-Y626 HydrophobicContact CE1-CE1 3.69Å; Y273-Y626 PolarHBondContact OH-OH 2.88Å; A327-Y626 WeakPolarHBondContact O-CE2 3.48Å; A327-Y626 PolarHBondContact O-OH 3.05Å; Y331-Y626 AromaticContact CD2-CD1 3.66Å; Y331-Y626 HydrophobicContact CD2-CD1 3.66Å; Y331-Y626 AromaticContact CD2-CD2 3.93Å; Y331-Y626 HydrophobicContact CD2-CD2 3.93Å; Y331-Y626 AromaticContact CD2-CE1 3.61Å; Y331-Y626 HydrophobicContact CD2-CE1 3.61Å; Y331-Y626 AromaticContact CD2-CE2 3.87Å; Y331-Y626 HydrophobicContact CD2-CE2 3.87Å; Y331-Y626 AromaticContact CD2-CG 3.82Å; Y331-Y626 HydrophobicContact CD2-CG 3.82Å; Y331-Y626 AromaticContact CD2-CZ 3.7Å; Y331-Y626 AromaticContact CE2-CD1 3.97Å; Y331-Y626 HydrophobicContact CE2-CD1 3.97Å; Y331-Y626 HydrophobicContact CE2-CE1 4.19Å; Y331-Y626 HydrophobicContact CE2-CG 4.29Å; Y331-Y626 HydrophobicContact CG-CE1 4.29Å; Y331-Y626 HydrophobicContact CG-CE2 4.34Å; F622-Y626 HydrophobicContact CE2-CD2 4.46Å; F622-Y626 HydrophobicContact CZ-CD2 4.2Å; F622-Y626 HydrophobicContact CZ-CG 4.48Å; F622-Y626 VanDerWaalsContact O-CB 3.29Å; F622-Y626 WeakPolarHBondContact O-CB 3.33Å; F622-Y626 PolarHBondContact O-N 3.32Å; N623-Y626 PolarHBondContact O-N 3.01Å; Y626-V628 PolarHBondContact O-N 2.88Å; Y626-Y629 PolarHBondContact O-N 2.77Å; Y626-H630 AromaticContact CD2-CD2 3.66Å; Y626-H630 AromaticContact CD2-NE2 3.95Å; Y626-H630 AromaticContact CE2-CD2 3.5Å; Y626-H630 VanDerWaalsContact CE2-CD2 3.5Å; Y626-H630 WeakPolarHBondContact CE2-CD2 3.4Å; Y626-H630 AromaticContact CE2-NE2 3.6Å; Y626-H630 AromaticContact CZ-CD2 3.74Å; Y626-H630 PolarHBondContact O-CD2 2.77Å; Y626-H630 PolarHBondContact O-N 2.87Å; Y626-H630 VanDerWaalsContact O-N 3.1Å
627	W	90.3	Very high	90.4	Very high	66 Å²	66	77.8 Å²	77.8	25%	0.25	39%	0.386	C	S	.	.	H	α-helix	trans	-67.5	-36.4	-179.1	-74.5	108.2	0	0	0	112.2	M192 L269 Y273 N623 M631	M192-W627 HydrophobicContact CE-CE3 3.76Å; M192-W627 HydrophobicContact CE-CH2 3.8Å; M192-W627 HydrophobicContact CE-CZ3 3.25Å; M192-W627 HydrophobicContact SD-CE3 4.47Å; M192-W627 HydrophobicContact SD-CZ3 4.06Å; L269-W627 HydrophobicContact CD2-CH2 3.36Å; L269-W627 HydrophobicContact CD2-CZ2 3.86Å; L269-W627 HydrophobicContact CD2-CZ3 4.11Å; L269-W627 HydrophobicContact CG-CH2 4.49Å; Y273-W627 HydrophobicContact CD1-CH2 4.15Å; Y273-W627 AromaticContact CD1-CZ2 3.65Å; Y273-W627 HydrophobicContact CD1-CZ2 3.65Å; Y273-W627 HydrophobicContact CD2-CH2 4.06Å; Y273-W627 HydrophobicContact CD2-CZ2 4.29Å; Y273-W627 HydrophobicContact CE1-CH2 4.15Å; Y273-W627 AromaticContact CE1-CZ2 3.91Å; Y273-W627 HydrophobicContact CE1-CZ2 3.91Å; Y273-W627 HydrophobicContact CE2-CH2 4.05Å; Y273-W627 HydrophobicContact CG-CH2 4.11Å; Y273-W627 AromaticContact CG-CZ2 3.85Å; Y273-W627 HydrophobicContact CG-CZ2 3.85Å; N623-W627 WeakPolarHBondContact O-CB 3.22Å; N623-W627 PolarHBondContact O-N 3.02Å; W627-M631 HydrophobicContact CE3-CG 4.12Å; W627-M631 HydrophobicContact CE3-SD 4.48Å; W627-M631 WeakPolarHBondContact O-CB 3.48Å; W627-M631 WeakPolarHBondContact O-CG 3.35Å; W627-M631 PolarHBondContact O-N 2.83Å; W627-M631 VanDerWaalsContact O-N 3.08Å
628	V	90.9	Very high	90.3	Very high	84 Å²	84	77 Å²	77	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-44.2	174.2	170.5	0	0	0	0	111.5	I624 V625 Y626 H630 Y632	I624-V628 WeakPolarHBondContact O-CB 3.21Å; I624-V628 WeakPolarHBondContact O-CG2 3.49Å; I624-V628 PolarHBondContact O-N 2.95Å; V625-V628 PolarHBondContact O-N 3.16Å; Y626-V628 PolarHBondContact O-N 2.88Å; V628-H630 VanDerWaalsContact C-N 3.34Å; V628-H630 PolarHBondContact O-N 2.77Å; V628-Y632 PolarHBondContact O-N 3.11Å
629	Y	90.7	Very high	90.2	Very high	152 Å²	152	80.1 Å²	80.1	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-71.1	-22.7	-177.8	177.4	-104.3	0	0	0	114.8	V625 Y626	V625-Y629 VanDerWaalsContact O-CB 3.29Å; V625-Y629 WeakPolarHBondContact O-CB 3.41Å; V625-Y629 PolarHBondContact O-N 3.18Å; Y626-Y629 PolarHBondContact O-N 2.77Å
630	H	85.1	Confident	89.9	Confident	30 Å²	30	85.5 Å²	85.5	14%	0.139	42%	0.415	C	S	.	.	H	α-helix	trans	-102.4	-19	179.3	-72.8	-67.2	0	0	0	114.7	M192 A327 Y626 V628	M192-H630 HydrophobicContact CE-CB 3.68Å; M192-H630 HydrophobicContact SD-CB 3.61Å; A327-H630 WeakPolarHBondContact CB-CE1 3.44Å; Y626-H630 AromaticContact CD2-CD2 3.66Å; Y626-H630 AromaticContact CD2-NE2 3.95Å; Y626-H630 AromaticContact CE2-CD2 3.5Å; Y626-H630 VanDerWaalsContact CE2-CD2 3.5Å; Y626-H630 WeakPolarHBondContact CE2-CD2 3.4Å; Y626-H630 AromaticContact CE2-NE2 3.6Å; Y626-H630 AromaticContact CZ-CD2 3.74Å; Y626-H630 PolarHBondContact O-CD2 2.77Å; Y626-H630 PolarHBondContact O-N 2.87Å; Y626-H630 VanDerWaalsContact O-N 3.1Å; V628-H630 VanDerWaalsContact C-N 3.34Å; V628-H630 PolarHBondContact O-N 2.77Å
631	M	80.4	Confident	89.6	Confident	117 Å²	117	90.1 Å²	90.1	58%	0.576	42%	0.423	S	S	*	.	H	α-helix	trans	-93.6	-18.2	177.3	-67.1	-69.9	-62.7	0	0	114.5	M192 W627	M192-M631 HydrophobicContact SD-CG 4.28Å; M192-M631 HydrophobicContact SD-SD 3.78Å; W627-M631 HydrophobicContact CE3-CG 4.12Å; W627-M631 HydrophobicContact CE3-SD 4.48Å; W627-M631 WeakPolarHBondContact O-CB 3.48Å; W627-M631 WeakPolarHBondContact O-CG 3.35Å; W627-M631 PolarHBondContact O-N 2.83Å; W627-M631 VanDerWaalsContact O-N 3.08Å
632	Y	76.4	Confident	89.2	Confident	244 Å²	244	88.5 Å²	88.5	96%	0.957	41%	0.41	S	S	*	.			trans	-120.6	0	179.5	-70.1	-84.8	0	0	0	111.5	V628	V628-Y632 PolarHBondContact O-N 3.11Å

Retrieved 632 of 632 residues in 208.8 ms (Link to these results)

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