A0A087XBZ5_POEFO Loading...

PITH domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087XBZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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	43.9	Very low	42.5	Very low	240 Å²	240	135.2 Å²	135.2	100%	1.182	84%	0.843	S	S	*	*				0	140	0	-78.7	-172.8	158.7	0	0	108.3
2	S	43	Very low	42.7	Very low	130 Å²	130	137.8 Å²	137.8	91%	0.909	84%	0.837	S	S	*	*			trans	75	128	173.7	-51.5	0	0	0	0	115.3
3	G	38.2	Very low	42.6	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	83%	0.834	S	S	*	*			cis	162.5	138.3	4.7	0	0	0	0	0	108.3
4	H	45.3	Very low	42.3	Very low	200 Å²	200	133.9 Å²	133.9	93%	0.926	83%	0.826	S	S	*	*			trans	-59.1	159.6	-179.9	-100.7	53.3	0	0	0	114.8
5	G	36.1	Very low	42.2	Very low	77 Å²	77	129.5 Å²	129.5	79%	0.794	82%	0.819	S	S	*	*			trans	175.7	71.8	157	0	0	0	0	0	115.8
6	H	47.6	Very low	42.1	Very low	183 Å²	183	127.4 Å²	127.4	85%	0.847	81%	0.809	S	S	*	*			trans	-72.9	127.9	161	-91	-75.5	0	0	0	109.7
7	G	38.2	Very low	42.3	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	81%	0.813	S	S	*	*			trans	-135.8	84	172.7	0	0	0	0	0	111.1	G9	G7-G9 PolarHBondContact O-N 3.38Å
8	H	46.3	Very low	42.6	Very low	165 Å²	165	125.7 Å²	125.7	76%	0.764	79%	0.789	S	S	*	*			trans	-83.7	95.2	163.4	-94.9	-75.9	0	0	0	108.6	H10	H8-H10 PolarHBondContact O-N 2.98Å
9	G	38.4	Very low	42.8	Very low	79 Å²	79	128.5 Å²	128.5	81%	0.814	79%	0.792	S	S	*	*			trans	-85.8	85.5	169	0	0	0	0	0	110.6	G7	G7-G9 PolarHBondContact O-N 3.38Å
10	H	47.7	Very low	43.2	Very low	150 Å²	150	126.5 Å²	126.5	69%	0.694	77%	0.773	S	S	*	*			trans	-87.9	98	157.5	-87.1	-80.8	0	0	0	108.2	H8 H12	H8-H10 PolarHBondContact O-N 2.98Å; H10-H12 AromaticContact ND1-CD2 3.95Å; H10-H12 AromaticContact ND1-NE2 3.37Å; H10-H12 PolarHBondContact ND1-NE2 3.15Å
11	S	42.4	Very low	43.9	Very low	110 Å²	110	126.7 Å²	126.7	77%	0.769	77%	0.765	S	S	*	*			trans	-118.5	86.2	168.2	167.4	0	0	0	0	107.9	S13	S11-S13 PolarHBondContact O-N 3.06Å
12	H	45.9	Very low	44.7	Very low	166 Å²	166	119.3 Å²	119.3	77%	0.769	74%	0.735	S	S	*	*			trans	-78.1	97.1	163.3	-67.4	-84.3	0	0	0	107.9	H10	H10-H12 AromaticContact ND1-CD2 3.95Å; H10-H12 AromaticContact ND1-NE2 3.37Å; H10-H12 PolarHBondContact ND1-NE2 3.15Å
13	S	40.5	Very low	45.6	Very low	114 Å²	114	116.7 Å²	116.7	80%	0.797	72%	0.721	S	S	*	*			trans	-103.4	82.7	160.4	-170.5	0	0	0	0	107.1	S11 G15	S11-S13 PolarHBondContact O-N 3.06Å; S13-G15 PolarHBondContact O-N 3.29Å
14	C	39.3	Very low	46.9	Very low	107 Å²	107	118.1 Å²	118.1	72%	0.723	71%	0.707	S	S	*	*			trans	-81.6	98.7	168.3	174	0	0	0	0	107	S16	C14-S16 PolarHBondContact O-N 3.26Å
15	G	39.7	Very low	47.8	Very low	69 Å²	69	112.4 Å²	112.4	71%	0.711	68%	0.677	S	S	*	*			trans	-69.1	89.2	156.4	0	0	0	0	0	107.6	S13 E17	S13-G15 PolarHBondContact O-N 3.29Å; G15-E17 VanDerWaalsContact C-N 3.28Å; G15-E17 PolarHBondContact O-N 3.09Å
16	S	41.3	Very low	49.1	Very low	96 Å²	96	109.7 Å²	109.7	67%	0.671	65%	0.65	S	S	*	*			trans	-72.3	89.6	170.2	-169.1	0	0	0	0	107.4	C14 G18	C14-S16 PolarHBondContact O-N 3.26Å; S16-G18 VanDerWaalsContact C-N 3.25Å; S16-G18 PolarHBondContact O-N 2.96Å
17	E	46.2	Very low	50.1	Low	186 Å²	186	106.7 Å²	106.7	87%	0.869	64%	0.644	S	S	*	*			trans	-64.8	98.3	156.7	-70.2	-163.3	116.4	0	0	106.3	G15 Q19	G15-E17 VanDerWaalsContact C-N 3.28Å; G15-E17 PolarHBondContact O-N 3.09Å; E17-Q19 PolarHBondContact O-N 3.1Å
18	G	47	Very low	51.8	Low	38 Å²	38	105.7 Å²	105.7	39%	0.392	62%	0.619	S	S	.	*			trans	-56.8	97.8	-164.5	0	0	0	0	0	114.1	S16 H20	S16-G18 VanDerWaalsContact C-N 3.25Å; S16-G18 PolarHBondContact O-N 2.96Å; G18-H20 PolarHBondContact O-N 2.9Å; G18-H20 VanDerWaalsContact O-N 3.14Å
19	Q	46.7	Very low	53.2	Low	179 Å²	179	98 Å²	98	84%	0.836	58%	0.583	S	S	*	*			trans	-76.7	82.2	147	-69.6	175	35	0	0	106.5	E17 E21	E17-Q19 PolarHBondContact O-N 3.1Å; Q19-E21 PolarHBondContact O-N 3.44Å
20	H	50.3	Low	55.1	Low	88 Å²	88	95.1 Å²	95.1	41%	0.407	55%	0.554	S	S	.	*			trans	-54.7	136.4	167.3	-74	-164.9	0	0	0	108.4	G18 E24 R25 E28	G18-H20 PolarHBondContact O-N 2.9Å; G18-H20 VanDerWaalsContact O-N 3.14Å; H20-E24 HydrophobicContact CB-CB 4.25Å; H20-R25 HydrophobicContact CB-CG 3.9Å; H20-E28 IonicContact CE1-OE2 2.72Å; H20-E28 IonicContact ND1-OE1 3.96Å; H20-E28 IonicContact ND1-OE2 3.02Å; H20-E28 PolarHBondContact ND1-OE2 3.48Å
21	E	58.4	Low	56.9	Low	131 Å²	131	88.2 Å²	88.2	61%	0.612	52%	0.522	S	S	*	.			trans	-55.3	146.2	177.8	-72.8	-77	114.4	0	0	109.3	Q19 A23 E24 R25	Q19-E21 PolarHBondContact O-N 3.44Å; E21-A23 PolarHBondContact O-N 2.93Å; E21-E24 HydrophobicContact CB-CG 4.22Å; E21-E24 PolarHBondContact N-OE2 2.84Å; E21-E24 WeakPolarHBondContact O-CB 3.3Å; E21-E24 PolarHBondContact O-N 2.81Å; E21-R25 PolarHBondContact O-N 2.83Å
22	P	60.7	Low	59.1	Low	85 Å²	85	85.9 Å²	85.9	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-52.2	-33.6	-177.7	-27.2	33.6	0	0	0	113.7	G26	P22-G26 PolarHBondContact O-N 2.75Å
23	A	61.7	Low	61.1	Low	75 Å²	75	83.9 Å²	83.9	62%	0.62	49%	0.488	S	S	*	.	H	α-helix	trans	-66.4	-38.6	176.3	0	0	0	0	0	113	E21 G26 V27	E21-A23 PolarHBondContact O-N 2.93Å; A23-G26 PolarHBondContact O-N 2.71Å; A23-V27 PolarHBondContact O-N 2.84Å
24	E	65	Low	63.5	Low	106 Å²	106	83.5 Å²	83.5	50%	0.495	47%	0.469	S	S	.	.	H	α-helix	trans	-68.5	-42.8	177.8	-65	178.7	146.3	0	0	110.5	H20 E21 G26 V27 E28	H20-E24 HydrophobicContact CB-CB 4.25Å; E21-E24 HydrophobicContact CB-CG 4.22Å; E21-E24 PolarHBondContact N-OE2 2.84Å; E21-E24 WeakPolarHBondContact O-CB 3.3Å; E21-E24 PolarHBondContact O-N 2.81Å; E24-G26 VanDerWaalsContact C-N 3.33Å; E24-G26 PolarHBondContact O-N 3.02Å; E24-V27 PolarHBondContact O-N 2.83Å; E24-E28 WeakPolarHBondContact O-CG 3.26Å; E24-E28 PolarHBondContact O-N 3.48Å; E24-E28 VanDerWaalsContact O-N 3.13Å
25	R	64.8	Low	66	Low	80 Å²	80	79 Å²	79	30%	0.302	44%	0.437	S	S	.	.	H	α-helix	trans	-60.9	-41.6	173.4	-71.4	-165.3	179.1	-167.7	0.6	111.8	H20 E21 V27 E28 F29	H20-R25 HydrophobicContact CB-CG 3.9Å; E21-R25 PolarHBondContact O-N 2.83Å; R25-V27 PolarHBondContact O-N 2.83Å; R25-E28 PolarHBondContact O-N 3.27Å; R25-F29 HydrophobicContact CB-CD2 4.46Å; R25-F29 WeakPolarHBondContact O-CD2 3.45Å; R25-F29 PolarHBondContact O-N 3.31Å
26	G	63.3	Low	68.5	Low	21 Å²	21	77.3 Å²	77.3	22%	0.216	41%	0.412	C	S	.	.	H	α-helix	trans	-55.3	-37.2	176.3	0	0	0	0	0	113.5	P22 A23 E24 G30	P22-G26 PolarHBondContact O-N 2.75Å; A23-G26 PolarHBondContact O-N 2.71Å; E24-G26 VanDerWaalsContact C-N 3.33Å; E24-G26 PolarHBondContact O-N 3.02Å; G26-G30 PolarHBondContact O-N 2.92Å
27	V	68.6	Low	70.9	Confident	119 Å²	119	76 Å²	76	72%	0.721	40%	0.397	S	S	*	.	H	α-helix	trans	-71	-41.6	175.1	178.4	0	0	0	0	111.4	A23 E24 R25 F29 G30	A23-V27 PolarHBondContact O-N 2.84Å; E24-V27 PolarHBondContact O-N 2.83Å; R25-V27 PolarHBondContact O-N 2.83Å; V27-F29 VanDerWaalsContact C-N 3.27Å; V27-F29 PolarHBondContact O-N 2.9Å; V27-G30 PolarHBondContact O-N 3.25Å; V27-G30 VanDerWaalsContact O-N 3.09Å
28	E	73.3	Confident	73	Confident	55 Å²	55	76.2 Å²	76.2	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-31.4	178.7	-65.6	-175.3	101.9	0	0	113	H20 E24 R25 G30 R173 G174	H20-E28 IonicContact CE1-OE2 2.72Å; H20-E28 IonicContact ND1-OE1 3.96Å; H20-E28 IonicContact ND1-OE2 3.02Å; H20-E28 PolarHBondContact ND1-OE2 3.48Å; E24-E28 WeakPolarHBondContact O-CG 3.26Å; E24-E28 PolarHBondContact O-N 3.48Å; E24-E28 VanDerWaalsContact O-N 3.13Å; R25-E28 PolarHBondContact O-N 3.27Å; E28-G30 VanDerWaalsContact C-N 3.31Å; E28-R173 HydrophobicContact CB-CG 3.82Å; E28-R173 WeakPolarHBondContact O-CA 3.45Å; E28-R173 WeakPolarHBondContact O-CG 3.34Å; E28-R173 IonicContact OE1-NH1 3.34Å; E28-G174 PolarHBondContact O-N 3.17Å
29	F	76	Confident	75.1	Confident	3 Å²	3	83 Å²	83	1%	0.013	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	14.5	174.8	-72.1	-79.5	0	0	0	113.8	R25 V27 L31 W58 I92 L172 R173	R25-F29 HydrophobicContact CB-CD2 4.46Å; R25-F29 WeakPolarHBondContact O-CD2 3.45Å; R25-F29 PolarHBondContact O-N 3.31Å; V27-F29 VanDerWaalsContact C-N 3.27Å; V27-F29 PolarHBondContact O-N 2.9Å; F29-L31 PolarHBondContact O-N 2.72Å; F29-W58 HydrophobicContact CB-CB 4.18Å; F29-W58 HydrophobicContact CB-CE3 4.37Å; F29-W58 HydrophobicContact CD1-CE3 4.32Å; F29-W58 AromaticContact CD2-CD2 3.89Å; F29-W58 HydrophobicContact CD2-CD2 3.89Å; F29-W58 AromaticContact CD2-CE3 3.57Å; F29-W58 HydrophobicContact CD2-CE3 3.57Å; F29-W58 HydrophobicContact CD2-CG 4.45Å; F29-W58 AromaticContact CD2-CZ3 4Å; F29-W58 HydrophobicContact CD2-CZ3 4Å; F29-W58 HydrophobicContact CE1-CZ3 4.45Å; F29-W58 HydrophobicContact CE2-CD2 4.44Å; F29-W58 AromaticContact CE2-CE3 3.95Å; F29-W58 HydrophobicContact CE2-CE3 3.95Å; F29-W58 HydrophobicContact CE2-CH2 4.24Å; F29-W58 AromaticContact CE2-CZ3 3.88Å; F29-W58 HydrophobicContact CE2-CZ3 3.88Å; F29-W58 HydrophobicContact CG-CD2 4.39Å; F29-W58 AromaticContact CG-CE3 3.82Å; F29-W58 HydrophobicContact CG-CE3 3.82Å; F29-W58 HydrophobicContact CG-CZ3 4.42Å; F29-W58 HydrophobicContact CZ-CE3 4.46Å; F29-W58 HydrophobicContact CZ-CZ3 4.14Å; F29-I92 HydrophobicContact CE1-CB 4.46Å; F29-I92 HydrophobicContact CE1-CD1 3.52Å; F29-I92 HydrophobicContact CE1-CG1 3.88Å; F29-I92 HydrophobicContact CE2-CD1 4.05Å; F29-I92 HydrophobicContact CZ-CD1 3.22Å; F29-I92 HydrophobicContact CZ-CG1 3.98Å; F29-L172 WeakPolarHBondContact CA-O 3.25Å; F29-R173 HydrophobicContact CD1-CB 3.88Å; F29-R173 HydrophobicContact CD1-CG 4.37Å; F29-R173 HydrophobicContact CE1-CB 3.53Å; F29-R173 HydrophobicContact CE1-CG 4.13Å; F29-R173 HydrophobicContact CE2-CG 4.27Å; F29-R173 HydrophobicContact CZ-CB 3.86Å; F29-R173 HydrophobicContact CZ-CG 4.02Å
30	G	79.2	Confident	77.3	Confident	20 Å²	20	75.4 Å²	75.4	21%	0.206	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-68.3	-2.6	-179	0	0	0	0	0	115.5	G26 V27 E28 Y32 Q33	G26-G30 PolarHBondContact O-N 2.92Å; V27-G30 PolarHBondContact O-N 3.25Å; V27-G30 VanDerWaalsContact O-N 3.09Å; E28-G30 VanDerWaalsContact C-N 3.31Å; G30-Y32 PolarHBondContact O-N 3.21Å; G30-Y32 VanDerWaalsContact O-N 3.16Å; G30-Q33 PolarHBondContact O-N 2.99Å; G30-Q33 VanDerWaalsContact O-N 3.17Å
31	L	85.4	Confident	79.5	Confident	5 Å²	5	75.3 Å²	75.3	3%	0.026	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-61.2	-24.2	-178.8	-68.9	-177.7	0	0	0	113.2	F29 Q33 R34 V86 L88 L172	F29-L31 PolarHBondContact O-N 2.72Å; L31-Q33 PolarHBondContact O-N 3.48Å; L31-Q33 VanDerWaalsContact O-N 3.17Å; L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.17Å; L31-R34 PolarHBondContact O-N 3.44Å; L31-V86 HydrophobicContact CD1-CG1 3.54Å; L31-V86 HydrophobicContact CD2-CG1 3.74Å; L31-V86 HydrophobicContact CD2-CG2 4.2Å; L31-V86 HydrophobicContact CG-CG1 4.28Å; L31-L88 HydrophobicContact CD1-CD1 4.16Å; L31-L172 HydrophobicContact CB-CB 4.01Å; L31-L172 WeakPolarHBondContact CB-O 3.45Å; L31-L172 HydrophobicContact CD1-CB 3.99Å
32	Y	87.1	Confident	81.2	Confident	60 Å²	60	69.8 Å²	69.8	24%	0.235	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-56.8	-31.8	177.1	85.7	-90.9	0	0	0	112.4	G30 R34 I35 P57	G30-Y32 PolarHBondContact O-N 3.21Å; G30-Y32 VanDerWaalsContact O-N 3.16Å; Y32-R34 PolarHBondContact O-N 2.89Å; Y32-I35 PolarHBondContact O-N 3.21Å; Y32-P57 HydrophobicContact CE1-CB 3.94Å; Y32-P57 HydrophobicContact CE1-CG 4.23Å; Y32-P57 HydrophobicContact CE2-CG 4.04Å; Y32-P57 WeakPolarHBondContact OH-CG 3.26Å
33	Q	88.5	Confident	82.9	Confident	124 Å²	124	68.3 Å²	68.3	58%	0.579	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-70.8	-14	178	-60.3	179.8	22.4	0	0	113.2	G30 L31	G30-Q33 PolarHBondContact O-N 2.99Å; G30-Q33 VanDerWaalsContact O-N 3.17Å; L31-Q33 PolarHBondContact O-N 3.48Å; L31-Q33 VanDerWaalsContact O-N 3.17Å
34	R	91.2	Very high	84.5	Confident	106 Å²	106	66.3 Å²	66.3	40%	0.4	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-104.5	4.2	-178	-50.9	-58.6	-177.4	167.4	1.1	112	L31 Y32 F82 T83 Y176	L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.17Å; L31-R34 PolarHBondContact O-N 3.44Å; Y32-R34 PolarHBondContact O-N 2.89Å; R34-F82 WeakPolarHBondContact O-CA 3.4Å; R34-T83 PolarHBondContact O-N 2.85Å; R34-T83 PolarHBondContact O-OG1 3.16Å; R34-Y176 HydrophobicContact CB-CD2 3.77Å; R34-Y176 HydrophobicContact CB-CE2 4.07Å; R34-Y176 HydrophobicContact CB-CG 4.44Å; R34-Y176 HydrophobicContact CG-CD1 4.49Å; R34-Y176 HydrophobicContact CG-CD2 3.67Å; R34-Y176 HydrophobicContact CG-CE2 4.17Å; R34-Y176 HydrophobicContact CG-CG 3.84Å
35	I	92.3	Very high	85.9	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.062	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-83.5	132.3	172.7	-60.4	174.2	0	0	0	108.2	Y32 L37 L40 F55 I80 F82 L172	Y32-I35 PolarHBondContact O-N 3.21Å; I35-L37 HydrophobicContact CB-CD2 4.36Å; I35-L37 HydrophobicContact CG2-CD2 3.86Å; I35-L37 HydrophobicContact CG2-CG 4.38Å; I35-L37 PolarHBondContact O-N 2.83Å; I35-L37 VanDerWaalsContact O-N 3.12Å; I35-L40 HydrophobicContact CG2-CD1 3.97Å; I35-F55 HydrophobicContact CD1-CB 4.45Å; I35-F55 HydrophobicContact CD1-CD1 3.54Å; I35-F55 HydrophobicContact CD1-CE1 4.03Å; I35-F55 HydrophobicContact CD1-CG 4.1Å; I35-I80 HydrophobicContact CB-CG2 4.34Å; I35-I80 HydrophobicContact CD1-CG2 3.92Å; I35-I80 HydrophobicContact CG1-CG2 3.88Å; I35-I80 HydrophobicContact CG2-CG2 3.58Å; I35-F82 HydrophobicContact CD1-CE1 4.49Å; I35-F82 HydrophobicContact CG1-CD1 3.99Å; I35-F82 HydrophobicContact CG1-CE1 3.74Å; I35-L172 HydrophobicContact CD1-CD1 4.05Å
36	D	92.4	Very high	87.3	Confident	35 Å²	35	61.7 Å²	61.7	19%	0.187	31%	0.307	C	S	.	.			trans	-80.6	87.1	169.3	-176.5	-12.7	0	0	0	108.7	E38 R39 L40 P81 T83	D36-E38 PolarHBondContact O-N 3.13Å; D36-E38 PolarHBondContact OD1-N 2.97Å; D36-R39 PolarHBondContact O-N 2.94Å; D36-R39 PolarHBondContact OD1-N 3.44Å; D36-R39 VanDerWaalsContact OD2-CD 3.25Å; D36-R39 WeakPolarHBondContact OD2-CD 3.31Å; D36-R39 IonicContact OD2-CZ 3.91Å; D36-R39 IonicContact OD2-NE 3.74Å; D36-R39 IonicContact OD2-NH1 3.51Å; D36-L40 PolarHBondContact O-N 3.27Å; D36-P81 HydrophobicContact CB-CB 4.39Å; D36-P81 HydrophobicContact CB-CG 4.09Å; D36-P81 PolarHBondContact N-O 3.39Å; D36-T83 HydrophobicContact CB-CG2 4.36Å
37	L	91.1	Very high	88.7	Confident	68 Å²	68	68.9 Å²	68.9	36%	0.356	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.4	-176.9	-65.7	174.5	0	0	0	113.3	I35 L40 R52 F55	I35-L37 HydrophobicContact CB-CD2 4.36Å; I35-L37 HydrophobicContact CG2-CD2 3.86Å; I35-L37 HydrophobicContact CG2-CG 4.38Å; I35-L37 PolarHBondContact O-N 2.83Å; I35-L37 VanDerWaalsContact O-N 3.12Å; L37-L40 HydrophobicContact CD2-CD1 4.26Å; L37-R52 HydrophobicContact CD2-CB 4.42Å; L37-F55 HydrophobicContact CD2-CB 4.14Å
38	E	89.8	Confident	89.8	Confident	190 Å²	190	69.9 Å²	69.9	89%	0.888	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-33	177	-64.9	-173.2	171.2	0	0	111.5	D36	D36-E38 PolarHBondContact O-N 3.13Å; D36-E38 PolarHBondContact OD1-N 2.97Å
39	R	91.6	Very high	90.6	Very high	182 Å²	182	67.7 Å²	67.7	69%	0.687	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.8	178	-63.5	-171.3	-179.6	150.2	-6.9	113.9	D36 Q41 P81	D36-R39 PolarHBondContact O-N 2.94Å; D36-R39 PolarHBondContact OD1-N 3.44Å; D36-R39 VanDerWaalsContact OD2-CD 3.25Å; D36-R39 WeakPolarHBondContact OD2-CD 3.31Å; D36-R39 IonicContact OD2-CZ 3.91Å; D36-R39 IonicContact OD2-NE 3.74Å; D36-R39 IonicContact OD2-NH1 3.51Å; R39-Q41 PolarHBondContact O-N 3.24Å; R39-P81 HydrophobicContact CB-CG 3.73Å
40	L	93.7	Very high	91.3	Very high	19 Å²	19	68.9 Å²	68.9	10%	0.099	33%	0.328	C	S	.	.			trans	-62.8	130	174.1	-175.4	148	0	0	0	109.3	I35 D36 L37 R52 F55 N79 I80	I35-L40 HydrophobicContact CG2-CD1 3.97Å; D36-L40 PolarHBondContact O-N 3.27Å; L37-L40 HydrophobicContact CD2-CD1 4.26Å; L40-R52 HydrophobicContact CD2-CB 4.2Å; L40-F55 HydrophobicContact CD1-CD2 3.7Å; L40-F55 HydrophobicContact CD1-CE2 3.5Å; L40-F55 HydrophobicContact CD1-CZ 4.18Å; L40-N79 WeakPolarHBondContact CA-O 3.22Å; L40-I80 HydrophobicContact CD1-CG1 4.2Å; L40-I80 HydrophobicContact CD1-CG2 4.36Å
41	Q	94.7	Very high	91.9	Very high	86 Å²	86	68 Å²	68	40%	0.402	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.8	175.9	-55.2	-172.1	-78.5	0	0	109	R39 N79	R39-Q41 PolarHBondContact O-N 3.24Å; Q41-N79 HydrophobicContact CB-CB 4.26Å; Q41-N79 PolarHBondContact N-O 3.39Å; Q41-N79 VanDerWaalsContact N-O 3.13Å; Q41-N79 PolarHBondContact O-N 3.3Å
42	C	95.3	Very high	92.2	Very high	14 Å²	14	73.5 Å²	73.5	10%	0.095	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.7	169.8	-173.2	0	0	0	0	107.8	E45 L77 F78	C42-E45 HydrophobicContact CB-CG 4.34Å; C42-E45 WeakPolarHBondContact CB-OE2 3.44Å; C42-L77 CarbonylContact C-O 3.51Å; C42-L77 WeakPolarHBondContact CA-O 3.48Å; C42-F78 HydrophobicContact CB-CD1 4.12Å; C42-F78 HydrophobicContact CB-CE1 4.27Å; C42-F78 WeakPolarHBondContact SG-CE1 3.45Å
43	L	95.6	Very high	92.4	Very high	54 Å²	54	73 Å²	73	28%	0.283	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.2	176.5	-49.5	-174.5	0	0	0	109.6	E45 L77 F116	L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3.12Å; L43-L77 HydrophobicContact CB-CB 4.2Å; L43-L77 HydrophobicContact CD1-CD2 3.94Å; L43-L77 PolarHBondContact N-O 3.13Å; L43-L77 PolarHBondContact O-N 3.32Å; L43-F116 HydrophobicContact CB-CD2 4.5Å; L43-F116 HydrophobicContact CB-CE2 3.61Å; L43-F116 HydrophobicContact CB-CZ 4.06Å; L43-F116 HydrophobicContact CD1-CD2 4.4Å; L43-F116 HydrophobicContact CD1-CE2 4.28Å
44	N	95.3	Very high	92.7	Very high	34 Å²	34	67.1 Å²	67.1	18%	0.182	31%	0.312	C	S	.	.	S	Bend	trans	63.4	24.3	-175.7	-159.1	36	0	0	0	114.3	S70 D71 V72 D73 E75 L76 F116	N44-S70 CarbonylContact O-C 3.53Å; N44-S70 WeakPolarHBondContact O-CA 3.49Å; N44-D71 PolarHBondContact O-N 3.05Å; N44-V72 WeakPolarHBondContact OD1-CB 3.34Å; N44-V72 PolarHBondContact OD1-N 3.02Å; N44-D73 PolarHBondContact ND2-OD1 2.78Å; N44-E75 WeakPolarHBondContact CB-O 3.39Å; N44-E75 PolarHBondContact ND2-O 3.41Å; N44-L76 WeakPolarHBondContact O-CD2 3.42Å; N44-F116 HydrophobicContact CB-CE2 4.05Å; N44-F116 HydrophobicContact CB-CZ 3.76Å
45	E	95.3	Very high	92.7	Very high	27 Å²	27	62.6 Å²	62.6	13%	0.126	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-78.4	136.8	168.4	61.8	-174.6	176.3	0	0	110.8	C42 L43 R47 D48 G49 D50 G51 V68	C42-E45 HydrophobicContact CB-CG 4.34Å; C42-E45 WeakPolarHBondContact CB-OE2 3.44Å; L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3.12Å; E45-R47 VanDerWaalsContact C-N 3.27Å; E45-R47 WeakPolarHBondContact CG-O 3.45Å; E45-R47 PolarHBondContact O-N 2.93Å; E45-D48 WeakPolarHBondContact OE1-CA 3.39Å; E45-G49 PolarHBondContact OE1-N 2.9Å; E45-D50 PolarHBondContact OE2-N 3.42Å; E45-G51 WeakPolarHBondContact OE2-CA 3.49Å; E45-G51 PolarHBondContact OE2-N 2.85Å; E45-V68 HydrophobicContact CB-CG2 3.68Å
46	S	94.4	Very high	92.6	Very high	61 Å²	61	62.9 Å²	62.9	43%	0.427	30%	0.296	S	S	.	.	S	Bend	trans	-65.3	-31.8	-179.7	-172.3	0	0	0	0	112.8	E69 D71	S46-E69 PolarHBondContact N-O 2.76Å; S46-D71 WeakPolarHBondContact CB-OD1 3.17Å; S46-D71 PolarHBondContact OG-OD1 3.35Å
47	R	93.1	Very high	92.4	Very high	173 Å²	173	62.6 Å²	62.6	65%	0.653	30%	0.296	S	S	*	.	S	Bend	trans	-125.3	124	174.3	-177	-179.2	-175.2	-176.3	1.2	110.6	E45 G49 D50	E45-R47 VanDerWaalsContact C-N 3.27Å; E45-R47 WeakPolarHBondContact CG-O 3.45Å; E45-R47 PolarHBondContact O-N 2.93Å; R47-G49 PolarHBondContact O-N 2.8Å; R47-D50 WeakPolarHBondContact CB-OD2 3.4Å; R47-D50 WeakPolarHBondContact CD-OD2 3.41Å; R47-D50 WeakPolarHBondContact O-CB 3.28Å; R47-D50 PolarHBondContact O-N 3.2Å; R47-D50 VanDerWaalsContact O-N 3.15Å
48	D	90.2	Very high	92.2	Very high	139 Å²	139	59.8 Å²	59.8	74%	0.743	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	124.1	179.3	-174.6	87.1	0	0	0	111.9	E45	E45-D48 WeakPolarHBondContact OE1-CA 3.39Å
49	G	89.5	Confident	92	Very high	9 Å²	9	56.6 Å²	56.6	9%	0.093	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	16.4	178	0	0	0	0	0	115.3	E45 R47 R52	E45-G49 PolarHBondContact OE1-N 2.9Å; R47-G49 PolarHBondContact O-N 2.8Å; G49-R52 VanDerWaalsContact O-CG 3.29Å; G49-R52 WeakPolarHBondContact O-CG 3.42Å; G49-R52 PolarHBondContact O-NE 2.63Å; G49-R52 PolarHBondContact O-NH2 3.08Å
50	D	92.6	Very high	91.7	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	26%	0.257	C	S	.	.			trans	-79.6	-28.4	168.5	-82.2	-0.8	0	0	0	111.5	E45 R47 R52 L53 V68	E45-D50 PolarHBondContact OE2-N 3.42Å; R47-D50 WeakPolarHBondContact CB-OD2 3.4Å; R47-D50 WeakPolarHBondContact CD-OD2 3.41Å; R47-D50 WeakPolarHBondContact O-CB 3.28Å; R47-D50 PolarHBondContact O-N 3.2Å; R47-D50 VanDerWaalsContact O-N 3.15Å; D50-R52 PolarHBondContact O-N 2.93Å; D50-R52 VanDerWaalsContact O-N 3.13Å; D50-L53 HydrophobicContact CB-CD1 4.39Å; D50-L53 WeakPolarHBondContact O-CB 3.19Å; D50-L53 WeakPolarHBondContact O-CG 3.46Å; D50-L53 PolarHBondContact O-N 3.36Å; D50-L53 WeakPolarHBondContact OD1-CD1 3.28Å; D50-V68 HydrophobicContact CB-CB 4.27Å; D50-V68 HydrophobicContact CB-CG2 4.18Å
51	G	90.3	Very high	91.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.8	178.5	0	0	0	0	0	114.6	E45 L53 V54 F55	E45-G51 WeakPolarHBondContact OE2-CA 3.49Å; E45-G51 PolarHBondContact OE2-N 2.85Å; G51-L53 VanDerWaalsContact C-N 3.34Å; G51-V54 VanDerWaalsContact O-CG2 3.22Å; G51-V54 WeakPolarHBondContact O-CG2 3.5Å; G51-F55 WeakPolarHBondContact O-CD2 3.44Å; G51-F55 WeakPolarHBondContact O-CE2 3.44Å
52	R	92.5	Very high	90.9	Very high	121 Å²	121	53.8 Å²	53.8	46%	0.457	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-21	172.3	72.3	-161.7	158.5	-151.5	-8.9	113.1	L37 L40 G49 D50 V54 F55	L37-R52 HydrophobicContact CD2-CB 4.42Å; L40-R52 HydrophobicContact CD2-CB 4.2Å; G49-R52 VanDerWaalsContact O-CG 3.29Å; G49-R52 WeakPolarHBondContact O-CG 3.42Å; G49-R52 PolarHBondContact O-NE 2.63Å; G49-R52 PolarHBondContact O-NH2 3.08Å; D50-R52 PolarHBondContact O-N 2.93Å; D50-R52 VanDerWaalsContact O-N 3.13Å; R52-V54 VanDerWaalsContact C-N 3.32Å; R52-V54 PolarHBondContact O-N 3.31Å; R52-F55 PolarHBondContact O-N 2.86Å
53	L	91.9	Very high	90.5	Very high	50 Å²	50	57 Å²	57	26%	0.262	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.5	-173.6	-56.1	179.6	0	0	0	113	D50 G51 F55 K66	D50-L53 HydrophobicContact CB-CD1 4.39Å; D50-L53 WeakPolarHBondContact O-CB 3.19Å; D50-L53 WeakPolarHBondContact O-CG 3.46Å; D50-L53 PolarHBondContact O-N 3.36Å; D50-L53 WeakPolarHBondContact OD1-CD1 3.28Å; G51-L53 VanDerWaalsContact C-N 3.34Å; L53-F55 VanDerWaalsContact C-N 3.28Å; L53-K66 HydrophobicContact CB-CB 3.94Å; L53-K66 HydrophobicContact CB-CD 4.09Å; L53-K66 HydrophobicContact CD1-CB 4.35Å; L53-K66 HydrophobicContact CD1-CD 4.38Å; L53-K66 HydrophobicContact CD1-CG 4.47Å; L53-K66 HydrophobicContact CD2-CD 4.19Å; L53-K66 HydrophobicContact CG-CD 4.46Å
54	V	93.3	Very high	90.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.4	178.4	-55.6	0	0	0	0	113.1	G51 R52 K56 V68 F78 V167 Y169 I170	G51-V54 VanDerWaalsContact O-CG2 3.22Å; G51-V54 WeakPolarHBondContact O-CG2 3.5Å; R52-V54 VanDerWaalsContact C-N 3.32Å; R52-V54 PolarHBondContact O-N 3.31Å; V54-K56 PolarHBondContact O-N 2.74Å; V54-V68 HydrophobicContact CG1-CB 4.07Å; V54-V68 HydrophobicContact CG1-CG1 3.62Å; V54-F78 HydrophobicContact CG2-CE1 4.18Å; V54-V167 HydrophobicContact CB-CG1 4.49Å; V54-V167 HydrophobicContact CG1-CG1 4.41Å; V54-V167 WeakPolarHBondContact CG1-O 3.24Å; V54-Y169 WeakPolarHBondContact O-CA 3.21Å; V54-I170 HydrophobicContact CG2-CB 4.41Å; V54-I170 HydrophobicContact CG2-CD1 3.91Å; V54-I170 HydrophobicContact CG2-CG1 4Å; V54-I170 PolarHBondContact O-N 3.18Å
55	F	92.3	Very high	89.8	Confident	12 Å²	12	63.4 Å²	63.4	5%	0.053	31%	0.308	C	S	.	.			trans	-87.7	99.8	172.2	-62.5	-82.5	0	0	0	109.3	I35 L37 L40 G51 R52 L53 F78 I80 I170	I35-F55 HydrophobicContact CD1-CB 4.45Å; I35-F55 HydrophobicContact CD1-CD1 3.54Å; I35-F55 HydrophobicContact CD1-CE1 4.03Å; I35-F55 HydrophobicContact CD1-CG 4.1Å; L37-F55 HydrophobicContact CD2-CB 4.14Å; L40-F55 HydrophobicContact CD1-CD2 3.7Å; L40-F55 HydrophobicContact CD1-CE2 3.5Å; L40-F55 HydrophobicContact CD1-CZ 4.18Å; G51-F55 WeakPolarHBondContact O-CD2 3.44Å; G51-F55 WeakPolarHBondContact O-CE2 3.44Å; R52-F55 PolarHBondContact O-N 2.86Å; L53-F55 VanDerWaalsContact C-N 3.28Å; F55-F78 HydrophobicContact CE2-CD1 4.08Å; F55-F78 HydrophobicContact CZ-CD1 4.37Å; F55-I80 HydrophobicContact CE1-CD1 3.78Å; F55-I80 HydrophobicContact CE1-CG1 4.5Å; F55-I80 HydrophobicContact CZ-CD1 3.48Å; F55-I80 VanDerWaalsContact CZ-CD1 3.48Å; F55-I80 HydrophobicContact CZ-CG1 3.95Å; F55-I170 HydrophobicContact CD1-CB 4.2Å; F55-I170 HydrophobicContact CD1-CG2 4.35Å; F55-I170 HydrophobicContact CE1-CB 3.77Å; F55-I170 HydrophobicContact CE1-CD1 4.48Å; F55-I170 HydrophobicContact CE1-CG2 3.62Å; F55-I170 HydrophobicContact CZ-CB 4.15Å; F55-I170 HydrophobicContact CZ-CD1 4Å; F55-I170 HydrophobicContact CZ-CG2 4.16Å
56	K	89.7	Confident	89.6	Confident	17 Å²	17	67.7 Å²	67.7	7%	0.074	33%	0.326	C	S	.	.			trans	-135.2	168.1	-176.5	60	-169.7	-178.3	-163.7	0	110.8	V54 Q60 R61 L63 Y168 Y169	V54-K56 PolarHBondContact O-N 2.74Å; K56-Q60 HydrophobicContact CB-CB 4.43Å; K56-Q60 HydrophobicContact CD-CB 4.21Å; K56-Q60 WeakPolarHBondContact CD-O 3.44Å; K56-Q60 WeakPolarHBondContact CE-O 3.29Å; K56-Q60 HydrophobicContact CG-CB 4.31Å; K56-Q60 PolarHBondContact NZ-O 2.85Å; K56-R61 WeakPolarHBondContact CE-O 3.49Å; K56-R61 PolarHBondContact NZ-O 2.78Å; K56-R61 VanDerWaalsContact NZ-O 3.14Å; K56-L63 PolarHBondContact NZ-O 3.17Å; K56-Y168 WeakPolarHBondContact CE-O 3.3Å; K56-Y168 PolarHBondContact NZ-O 3.41Å; K56-Y169 HydrophobicContact CD-CD2 4.14Å; K56-Y169 VanDerWaalsContact CE-CD2 3.47Å; K56-Y169 HydrophobicContact CG-CD2 3.51Å; K56-Y169 HydrophobicContact CG-CE2 3.76Å; K56-Y169 WeakPolarHBondContact O-CE2 3.48Å
57	P	88.8	Confident	89.6	Confident	29 Å²	29	69.5 Å²	69.5	19%	0.188	32%	0.324	C	S	.	.			trans	-62.2	152.1	175.6	-16.9	28.1	0	0	0	112	Y32 D59 Q60 R61	Y32-P57 HydrophobicContact CE1-CB 3.94Å; Y32-P57 HydrophobicContact CE1-CG 4.23Å; Y32-P57 HydrophobicContact CE2-CG 4.04Å; Y32-P57 WeakPolarHBondContact OH-CG 3.26Å; P57-D59 PolarHBondContact O-N 3.22Å; P57-D59 VanDerWaalsContact O-N 3.17Å; P57-Q60 PolarHBondContact O-N 3.37Å; P57-R61 PolarHBondContact O-N 3.02Å
58	W	85.8	Confident	89.7	Confident	10 Å²	10	61.2 Å²	61.2	4%	0.038	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-52.1	-37.6	177.5	176.1	-105.5	0	0	0	113.7	F29 Q60 R61 I92 Y169	F29-W58 HydrophobicContact CB-CB 4.18Å; F29-W58 HydrophobicContact CB-CE3 4.37Å; F29-W58 HydrophobicContact CD1-CE3 4.32Å; F29-W58 AromaticContact CD2-CD2 3.89Å; F29-W58 HydrophobicContact CD2-CD2 3.89Å; F29-W58 AromaticContact CD2-CE3 3.57Å; F29-W58 HydrophobicContact CD2-CE3 3.57Å; F29-W58 HydrophobicContact CD2-CG 4.45Å; F29-W58 AromaticContact CD2-CZ3 4Å; F29-W58 HydrophobicContact CD2-CZ3 4Å; F29-W58 HydrophobicContact CE1-CZ3 4.45Å; F29-W58 HydrophobicContact CE2-CD2 4.44Å; F29-W58 AromaticContact CE2-CE3 3.95Å; F29-W58 HydrophobicContact CE2-CE3 3.95Å; F29-W58 HydrophobicContact CE2-CH2 4.24Å; F29-W58 AromaticContact CE2-CZ3 3.88Å; F29-W58 HydrophobicContact CE2-CZ3 3.88Å; F29-W58 HydrophobicContact CG-CD2 4.39Å; F29-W58 AromaticContact CG-CE3 3.82Å; F29-W58 HydrophobicContact CG-CE3 3.82Å; F29-W58 HydrophobicContact CG-CZ3 4.42Å; F29-W58 HydrophobicContact CZ-CE3 4.46Å; F29-W58 HydrophobicContact CZ-CZ3 4.14Å; W58-Q60 PolarHBondContact O-N 3.09Å; W58-R61 WeakPolarHBondContact O-CB 3.32Å; W58-R61 WeakPolarHBondContact O-CD 3.45Å; W58-R61 VanDerWaalsContact O-CG 3.29Å; W58-R61 WeakPolarHBondContact O-CG 3.37Å; W58-R61 PolarHBondContact O-N 2.9Å; W58-R61 PolarHBondContact O-NH1 3.23Å; W58-R61 VanDerWaalsContact O-NH1 3.08Å; W58-I92 HydrophobicContact CH2-CD1 3.74Å; W58-I92 HydrophobicContact CZ3-CD1 3.4Å; W58-Y169 HydrophobicContact CE3-CE1 4.36Å; W58-Y169 HydrophobicContact CZ3-CE1 4.38Å
59	D	85.6	Confident	90	Very high	122 Å²	122	56.6 Å²	56.6	65%	0.652	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-65.4	-24.7	178.8	-55.9	-67.8	0	0	0	112.9	P57	P57-D59 PolarHBondContact O-N 3.22Å; P57-D59 VanDerWaalsContact O-N 3.17Å
60	Q	86.4	Confident	90.3	Very high	91 Å²	91	56.2 Å²	56.2	43%	0.425	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-97.6	4.1	-178.9	-67	-172	0.8	0	0	113.1	K56 P57 W58 N62 L63	K56-Q60 HydrophobicContact CB-CB 4.43Å; K56-Q60 HydrophobicContact CD-CB 4.21Å; K56-Q60 WeakPolarHBondContact CD-O 3.44Å; K56-Q60 WeakPolarHBondContact CE-O 3.29Å; K56-Q60 HydrophobicContact CG-CB 4.31Å; K56-Q60 PolarHBondContact NZ-O 2.85Å; P57-Q60 PolarHBondContact O-N 3.37Å; W58-Q60 PolarHBondContact O-N 3.09Å; Q60-N62 PolarHBondContact O-N 2.87Å; Q60-N62 VanDerWaalsContact O-N 3.11Å; Q60-L63 HydrophobicContact CB-CD1 3.82Å; Q60-L63 HydrophobicContact CB-CG 4.32Å; Q60-L63 HydrophobicContact CG-CD1 3.74Å; Q60-L63 WeakPolarHBondContact O-CB 3.32Å; Q60-L63 PolarHBondContact O-N 2.89Å
61	R	84.8	Confident	90.4	Very high	55 Å²	55	59.2 Å²	59.2	21%	0.208	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.1	-176.1	73.2	-170.7	-177.6	-81.4	-0.8	113.2	K56 P57 W58 L63 A135 Y169	K56-R61 WeakPolarHBondContact CE-O 3.49Å; K56-R61 PolarHBondContact NZ-O 2.78Å; K56-R61 VanDerWaalsContact NZ-O 3.14Å; P57-R61 PolarHBondContact O-N 3.02Å; W58-R61 WeakPolarHBondContact O-CB 3.32Å; W58-R61 WeakPolarHBondContact O-CD 3.45Å; W58-R61 VanDerWaalsContact O-CG 3.29Å; W58-R61 WeakPolarHBondContact O-CG 3.37Å; W58-R61 PolarHBondContact O-N 2.9Å; W58-R61 PolarHBondContact O-NH1 3.23Å; W58-R61 VanDerWaalsContact O-NH1 3.08Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.26Å; R61-A135 HydrophobicContact CB-CB 4.1Å; R61-A135 HydrophobicContact CG-CB 4.13Å; R61-Y169 HydrophobicContact CB-CD1 3.75Å; R61-Y169 HydrophobicContact CB-CD2 4.19Å; R61-Y169 HydrophobicContact CB-CE1 3.72Å; R61-Y169 HydrophobicContact CB-CE2 4.13Å; R61-Y169 HydrophobicContact CB-CG 3.96Å
62	N	85.6	Confident	90.5	Very high	83 Å²	83	64.6 Å²	64.6	44%	0.444	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.3	-178.8	-63.9	-18.9	0	0	0	114.5	Q60 R64 L134	Q60-N62 PolarHBondContact O-N 2.87Å; Q60-N62 VanDerWaalsContact O-N 3.11Å; N62-R64 PolarHBondContact O-N 3.14Å; N62-L134 PolarHBondContact OD1-O 3.31Å
63	L	87.6	Confident	90.5	Very high	82 Å²	82	61.4 Å²	61.4	43%	0.429	30%	0.304	S	S	.	.			trans	-76	117.9	177.7	-64.9	179.9	0	0	0	109.7	K56 Q60 R61	K56-L63 PolarHBondContact NZ-O 3.17Å; Q60-L63 HydrophobicContact CB-CD1 3.82Å; Q60-L63 HydrophobicContact CB-CG 4.32Å; Q60-L63 HydrophobicContact CG-CD1 3.74Å; Q60-L63 WeakPolarHBondContact O-CB 3.32Å; Q60-L63 PolarHBondContact O-N 2.89Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.26Å
64	R	87	Confident	90.6	Very high	88 Å²	88	62.3 Å²	62.3	33%	0.332	31%	0.307	S	S	.	.			trans	-100.4	13.9	-174.3	-55.9	-174.6	69.2	138.2	-4.8	113.8	N62 K66 E96 Y168	N62-R64 PolarHBondContact O-N 3.14Å; R64-K66 VanDerWaalsContact C-N 3.26Å; R64-K66 PolarHBondContact O-N 2.75Å; R64-E96 IonicContact CZ-OE1 3.52Å; R64-E96 IonicContact CZ-OE2 3.8Å; R64-E96 IonicContact NH1-OE1 3.77Å; R64-E96 IonicContact NH2-OE1 2.63Å; R64-E96 PolarHBondContact NH2-OE1 2.75Å; R64-E96 IonicContact NH2-OE2 2.72Å; R64-E96 PolarHBondContact NH2-OE2 2.65Å; R64-Y168 HydrophobicContact CB-CD1 3.91Å; R64-Y168 HydrophobicContact CB-CE1 4Å; R64-Y168 HydrophobicContact CG-CD1 4.3Å
65	D	88.5	Confident	90.8	Very high	133 Å²	133	65 Å²	65	71%	0.711	32%	0.319	S	S	*	.	S	Bend	trans	-71.5	-24.4	-176.3	-48.8	-45.9	0	0	0	112.8
66	K	91.6	Very high	91	Very high	117 Å²	117	64.5 Å²	64.5	51%	0.509	32%	0.317	S	S	.	.			trans	-126.6	134.4	-178.4	-59.1	-178.8	179.5	-177.4	0	109.7	L53 R64	L53-K66 HydrophobicContact CB-CB 3.94Å; L53-K66 HydrophobicContact CB-CD 4.09Å; L53-K66 HydrophobicContact CD1-CB 4.35Å; L53-K66 HydrophobicContact CD1-CD 4.38Å; L53-K66 HydrophobicContact CD1-CG 4.47Å; L53-K66 HydrophobicContact CD2-CD 4.19Å; L53-K66 HydrophobicContact CG-CD 4.46Å; R64-K66 VanDerWaalsContact C-N 3.26Å; R64-K66 PolarHBondContact O-N 2.75Å
67	Y	94.3	Very high	91.3	Very high	99 Å²	99	63.7 Å²	63.7	39%	0.388	31%	0.313	S	S	.	.			trans	-151.1	167.3	-179.2	59.9	-87	0	0	0	109.5	E69 V167 Y168	Y67-E69 HydrophobicContact CD2-CB 4.33Å; Y67-E69 HydrophobicContact CE2-CB 4.27Å; Y67-V167 CarbonylContact C-O 3.59Å; Y67-V167 VanDerWaalsContact CA-O 3.25Å; Y67-V167 WeakPolarHBondContact CA-O 3.5Å; Y67-V167 WeakPolarHBondContact CB-O 3.2Å; Y67-Y168 HydrophobicContact CD1-CE1 4Å; Y67-Y168 HydrophobicContact CG-CD1 4.5Å; Y67-Y168 HydrophobicContact CG-CE1 4.02Å
68	V	96.1	Very high	91.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.9	164.7	65.4	0	0	0	0	108	E45 D50 V54 L76 F78 R166 V167	E45-V68 HydrophobicContact CB-CG2 3.68Å; D50-V68 HydrophobicContact CB-CB 4.27Å; D50-V68 HydrophobicContact CB-CG2 4.18Å; V54-V68 HydrophobicContact CG1-CB 4.07Å; V54-V68 HydrophobicContact CG1-CG1 3.62Å; V68-L76 HydrophobicContact CG1-CD1 4.4Å; V68-F78 HydrophobicContact CG1-CE1 4.14Å; V68-F78 HydrophobicContact CG1-CZ 3.76Å; V68-R166 WeakPolarHBondContact O-CA 3.4Å; V68-V167 HydrophobicContact CG1-CB 3.88Å; V68-V167 PolarHBondContact N-O 2.76Å; V68-V167 PolarHBondContact O-N 3.37Å
69	E	96.2	Very high	92.2	Very high	42 Å²	42	62 Å²	62	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.3	176.6	-175.1	173.9	126.1	0	0	108.5	S46 Y67 N164 T165 R166	S46-E69 PolarHBondContact N-O 2.76Å; Y67-E69 HydrophobicContact CD2-CB 4.33Å; Y67-E69 HydrophobicContact CE2-CB 4.27Å; E69-N164 HydrophobicContact CG-CB 4.17Å; E69-T165 WeakPolarHBondContact CA-O 3.41Å; E69-R166 HydrophobicContact CB-CG 4.25Å; E69-R166 HydrophobicContact CG-CG 3.99Å; E69-R166 IonicContact OE1-NH2 3.85Å; E69-R166 IonicContact OE2-CZ 3.09Å; E69-R166 IonicContact OE2-NE 2.66Å; E69-R166 PolarHBondContact OE2-NE 2.78Å; E69-R166 IonicContact OE2-NH2 3.85Å; E69-R166 PolarHBondContact OE2-NH2 3.27Å
70	S	96.5	Very high	92.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-74.2	152	174.3	63.5	0	0	0	0	112.2	N44 D73 N164 T165	N44-S70 CarbonylContact O-C 3.53Å; N44-S70 WeakPolarHBondContact O-CA 3.49Å; S70-D73 WeakPolarHBondContact CB-O 3.28Å; S70-D73 PolarHBondContact OG-O 3.37Å; S70-N164 PolarHBondContact O-ND2 2.91Å; S70-N164 WeakPolarHBondContact OG-CA 3.43Å; S70-T165 PolarHBondContact N-O 3.19Å; S70-T165 PolarHBondContact OG-N 3.46Å
71	D	93.6	Very high	93.1	Very high	92 Å²	92	52.8 Å²	52.8	49%	0.492	26%	0.258	S	S	.	.	S	Bend	trans	-95	-52.9	-174.9	-157.4	40.8	0	0	0	113.5	N44 S46	N44-D71 PolarHBondContact O-N 3.05Å; S46-D71 WeakPolarHBondContact CB-OD1 3.17Å; S46-D71 PolarHBondContact OG-OD1 3.35Å
72	V	91.8	Very high	93.5	Very high	114 Å²	114	51 Å²	51	69%	0.691	25%	0.252	S	S	*	.	S	Bend	trans	-96.3	-41.2	-167.9	-178.9	0	0	0	0	112.8	N44	N44-V72 WeakPolarHBondContact OD1-CB 3.34Å; N44-V72 PolarHBondContact OD1-N 3.02Å
73	D	93.5	Very high	93.8	Very high	54 Å²	54	50.6 Å²	50.6	29%	0.289	25%	0.253	S	S	.	.	S	Bend	trans	-150.2	-175.3	-175.1	55.9	36.5	0	0	0	109.6	N44 S70 E75 E163	N44-D73 PolarHBondContact ND2-OD1 2.78Å; S70-D73 WeakPolarHBondContact CB-O 3.28Å; S70-D73 PolarHBondContact OG-O 3.37Å; D73-E75 PolarHBondContact O-N 2.85Å; D73-E75 WeakPolarHBondContact OD1-CB 3.48Å; D73-E75 PolarHBondContact OD1-N 3.26Å; D73-E163 CarbonylContact C-O 3.59Å
74	E	94.1	Very high	93.9	Very high	69 Å²	69	46.8 Å²	46.8	32%	0.322	23%	0.233	S	C	.	.	S	Bend	trans	-72.9	-4.7	-178.8	70	-97.1	-146.3	0	0	114.5	N159 E163 T165	E74-N159 HydrophobicContact CB-CB 4.38Å; E74-N159 VanDerWaalsContact CB-ND2 3.3Å; E74-N159 WeakPolarHBondContact CB-ND2 3.4Å; E74-E163 PolarHBondContact N-O 3.31Å; E74-E163 VanDerWaalsContact N-O 3.15Å; E74-T165 VanDerWaalsContact O-CB 3.28Å; E74-T165 WeakPolarHBondContact O-CB 3.5Å; E74-T165 PolarHBondContact O-OG1 3.26Å
75	E	96.4	Very high	94.2	Very high	57 Å²	57	43.6 Å²	43.6	27%	0.266	23%	0.225	S	C	.	.			trans	-84.5	140.6	-172.9	-56.7	-163.3	78.4	0	0	112.1	N44 D73 F116 H155 I156	N44-E75 WeakPolarHBondContact CB-O 3.39Å; N44-E75 PolarHBondContact ND2-O 3.41Å; D73-E75 PolarHBondContact O-N 2.85Å; D73-E75 WeakPolarHBondContact OD1-CB 3.48Å; D73-E75 PolarHBondContact OD1-N 3.26Å; E75-F116 HydrophobicContact CB-CE1 3.95Å; E75-H155 IonicContact OE1-CD2 2.8Å; E75-H155 IonicContact OE1-CE1 2.66Å; E75-H155 PolarHBondContact OE1-CE1 3.47Å; E75-H155 IonicContact OE1-NE2 3.16Å; E75-H155 PolarHBondContact OE1-NE2 2.81Å; E75-I156 VanDerWaalsContact CA-O 3.29Å; E75-I156 WeakPolarHBondContact CA-O 3.5Å
76	L	96.8	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.4	172	-75.3	169.6	0	0	0	109.6	N44 V68 F78 H155 I156 T165 V167	N44-L76 WeakPolarHBondContact O-CD2 3.42Å; V68-L76 HydrophobicContact CG1-CD1 4.4Å; L76-F78 HydrophobicContact CB-CE2 3.84Å; L76-F78 HydrophobicContact CB-CZ 4.43Å; L76-F78 HydrophobicContact CD1-CE2 4.39Å; L76-F78 HydrophobicContact CD1-CZ 4.35Å; L76-H155 CarbonylContact O-C 3.53Å; L76-H155 WeakPolarHBondContact O-CA 3.49Å; L76-I156 HydrophobicContact CB-CB 4.24Å; L76-I156 HydrophobicContact CB-CD1 4.25Å; L76-I156 HydrophobicContact CB-CG1 4.37Å; L76-I156 HydrophobicContact CD1-CD1 4.36Å; L76-I156 PolarHBondContact N-O 2.74Å; L76-I156 PolarHBondContact O-N 2.78Å; L76-T165 HydrophobicContact CD1-CG2 4Å; L76-V167 HydrophobicContact CD1-CG2 4.37Å
77	L	96.9	Very high	94.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.4	176.8	-175.2	65.1	0	0	0	111	C42 L43 M114 F116 I154 H155	C42-L77 CarbonylContact C-O 3.51Å; C42-L77 WeakPolarHBondContact CA-O 3.48Å; L43-L77 HydrophobicContact CB-CB 4.2Å; L43-L77 HydrophobicContact CD1-CD2 3.94Å; L43-L77 PolarHBondContact N-O 3.13Å; L43-L77 PolarHBondContact O-N 3.32Å; L77-M114 HydrophobicContact CD1-SD 4.27Å; L77-M114 HydrophobicContact CD2-CB 4.38Å; L77-M114 HydrophobicContact CD2-CG 4.31Å; L77-M114 WeakPolarHBondContact CD2-O 3.41Å; L77-F116 HydrophobicContact CB-CE1 3.87Å; L77-F116 HydrophobicContact CB-CZ 3.87Å; L77-I154 WeakPolarHBondContact CA-O 3.16Å; L77-H155 HydrophobicContact CD1-CB 3.68Å
78	F	96.9	Very high	94.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.5	175.6	-59.2	-96.3	0	0	0	109.8	C42 V54 F55 V68 L76 I80 S153 I154 I156 I170	C42-F78 HydrophobicContact CB-CD1 4.12Å; C42-F78 HydrophobicContact CB-CE1 4.27Å; C42-F78 WeakPolarHBondContact SG-CE1 3.45Å; V54-F78 HydrophobicContact CG2-CE1 4.18Å; F55-F78 HydrophobicContact CE2-CD1 4.08Å; F55-F78 HydrophobicContact CZ-CD1 4.37Å; V68-F78 HydrophobicContact CG1-CE1 4.14Å; V68-F78 HydrophobicContact CG1-CZ 3.76Å; L76-F78 HydrophobicContact CB-CE2 3.84Å; L76-F78 HydrophobicContact CB-CZ 4.43Å; L76-F78 HydrophobicContact CD1-CE2 4.39Å; L76-F78 HydrophobicContact CD1-CZ 4.35Å; F78-I80 HydrophobicContact CB-CD1 4.25Å; F78-I80 HydrophobicContact CB-CG1 4.11Å; F78-S153 CarbonylContact O-C 3.5Å; F78-S153 WeakPolarHBondContact O-CA 3.37Å; F78-I154 HydrophobicContact CB-CB 4.25Å; F78-I154 HydrophobicContact CD2-CB 4.44Å; F78-I154 PolarHBondContact N-O 3.26Å; F78-I154 PolarHBondContact O-N 2.91Å; F78-I156 HydrophobicContact CE2-CD1 3.85Å; F78-I156 HydrophobicContact CE2-CG1 4.33Å; F78-I170 HydrophobicContact CD1-CD1 4.39Å; F78-I170 HydrophobicContact CD2-CD1 4.25Å; F78-I170 HydrophobicContact CE1-CD1 4.19Å; F78-I170 HydrophobicContact CE2-CD1 4.07Å; F78-I170 HydrophobicContact CG-CD1 4.41Å; F78-I170 HydrophobicContact CZ-CD1 4.04Å
79	N	96.3	Very high	94.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	108.1	171.8	-76.1	-44.8	0	0	0	108.9	L40 Q41 P81 M114 S153	L40-N79 WeakPolarHBondContact CA-O 3.22Å; Q41-N79 HydrophobicContact CB-CB 4.26Å; Q41-N79 PolarHBondContact N-O 3.39Å; Q41-N79 VanDerWaalsContact N-O 3.13Å; Q41-N79 PolarHBondContact O-N 3.3Å; N79-P81 WeakPolarHBondContact O-CD 3.48Å; N79-M114 PolarHBondContact ND2-N 3.09Å; N79-M114 PolarHBondContact ND2-O 3.08Å; N79-M114 VanDerWaalsContact OD1-CB 3.31Å; N79-M114 WeakPolarHBondContact OD1-CB 3.48Å; N79-M114 PolarHBondContact OD1-N 3.47Å; N79-S153 PolarHBondContact OD1-OG 3.17Å
80	I	95.4	Very high	94.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	97.1	-167.3	-50.6	166.2	0	0	0	108.9	I35 L40 F55 F78 F82 H151 L152 I154	I35-I80 HydrophobicContact CB-CG2 4.34Å; I35-I80 HydrophobicContact CD1-CG2 3.92Å; I35-I80 HydrophobicContact CG1-CG2 3.88Å; I35-I80 HydrophobicContact CG2-CG2 3.58Å; L40-I80 HydrophobicContact CD1-CG1 4.2Å; L40-I80 HydrophobicContact CD1-CG2 4.36Å; F55-I80 HydrophobicContact CE1-CD1 3.78Å; F55-I80 HydrophobicContact CE1-CG1 4.5Å; F55-I80 HydrophobicContact CZ-CD1 3.48Å; F55-I80 VanDerWaalsContact CZ-CD1 3.48Å; F55-I80 HydrophobicContact CZ-CG1 3.95Å; F78-I80 HydrophobicContact CB-CD1 4.25Å; F78-I80 HydrophobicContact CB-CG1 4.11Å; I80-F82 HydrophobicContact CG2-CE1 4.22Å; I80-F82 HydrophobicContact CG2-CZ 4.21Å; I80-H151 WeakPolarHBondContact O-CA 3.49Å; I80-L152 WeakPolarHBondContact CA-O 3.49Å; I80-L152 HydrophobicContact CB-CB 4.37Å; I80-L152 VanDerWaalsContact CB-O 3.28Å; I80-L152 WeakPolarHBondContact CB-O 3.44Å; I80-L152 HydrophobicContact CD1-CD2 4.31Å; I80-L152 PolarHBondContact N-O 3.17Å; I80-L152 PolarHBondContact O-N 3.26Å; I80-I154 HydrophobicContact CD1-CD1 3.44Å; I80-I154 VanDerWaalsContact CD1-CD1 3.44Å; I80-I154 HydrophobicContact CD1-CG1 3.8Å
81	P	95	Very high	94.3	Very high	20 Å²	20	30.6 Å²	30.6	13%	0.13	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.1	170	27.1	-29.6	0	0	0	110.9	D36 R39 N79	D36-P81 HydrophobicContact CB-CB 4.39Å; D36-P81 HydrophobicContact CB-CG 4.09Å; D36-P81 PolarHBondContact N-O 3.39Å; R39-P81 HydrophobicContact CB-CG 3.73Å; N79-P81 WeakPolarHBondContact O-CD 3.48Å
82	F	94.1	Very high	94.3	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	152	170	-62.3	-71.3	0	0	0	111.1	R34 I35 I80 G84 V86 V149 H150 L152 L172	R34-F82 WeakPolarHBondContact O-CA 3.4Å; I35-F82 HydrophobicContact CD1-CE1 4.49Å; I35-F82 HydrophobicContact CG1-CD1 3.99Å; I35-F82 HydrophobicContact CG1-CE1 3.74Å; I80-F82 HydrophobicContact CG2-CE1 4.22Å; I80-F82 HydrophobicContact CG2-CZ 4.21Å; F82-G84 PolarHBondContact O-N 2.88Å; F82-V86 HydrophobicContact CB-CG2 4.05Å; F82-V86 HydrophobicContact CD1-CG2 3.78Å; F82-V86 HydrophobicContact CD2-CB 4.3Å; F82-V86 HydrophobicContact CD2-CG2 4.09Å; F82-V86 HydrophobicContact CE1-CG2 4.22Å; F82-V86 HydrophobicContact CE2-CB 4.43Å; F82-V86 HydrophobicContact CG-CB 4.41Å; F82-V86 HydrophobicContact CG-CG2 3.7Å; F82-V149 HydrophobicContact CD2-CG1 4.21Å; F82-V149 HydrophobicContact CE2-CB 4.5Å; F82-V149 HydrophobicContact CE2-CG1 3.82Å; F82-H150 PolarHBondContact N-O 3.13Å; F82-L152 HydrophobicContact CE2-CB 3.63Å; F82-L152 HydrophobicContact CZ-CB 4.08Å; F82-L152 HydrophobicContact CZ-CD2 4.26Å; F82-L172 HydrophobicContact CE1-CD1 3.93Å; F82-L172 HydrophobicContact CZ-CD1 3.77Å
83	T	91.8	Very high	94.5	Very high	75 Å²	75	21 Å²	21	46%	0.46	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-3.4	175.9	63.9	0	0	0	0	113.6	R34 D36	R34-T83 PolarHBondContact O-N 2.85Å; R34-T83 PolarHBondContact O-OG1 3.16Å; D36-T83 HydrophobicContact CB-CG2 4.36Å
84	G	90.1	Very high	94.5	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-158.4	-176.1	0	0	0	0	0	112.3	F82 H150	F82-G84 PolarHBondContact O-N 2.88Å; G84-H150 PolarHBondContact O-ND1 3.18Å; G84-H150 VanDerWaalsContact O-ND1 3.13Å
85	S	92	Very high	94.4	Very high	21 Å²	21	15.2 Å²	15.2	15%	0.147	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.5	175.5	-173.5	0	0	0	0	109.8	S148 S177	S85-S148 PolarHBondContact OG-OG 3.12Å; S85-S177 PolarHBondContact N-O 2.73Å; S85-S177 PolarHBondContact O-N 3.2Å; S85-S177 VanDerWaalsContact O-O 3.12Å
86	V	93.4	Very high	94.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.3	177.9	174.5	0	0	0	0	110.2	L31 F82 V149 E175 Y176	L31-V86 HydrophobicContact CD1-CG1 3.54Å; L31-V86 HydrophobicContact CD2-CG1 3.74Å; L31-V86 HydrophobicContact CD2-CG2 4.2Å; L31-V86 HydrophobicContact CG-CG1 4.28Å; F82-V86 HydrophobicContact CB-CG2 4.05Å; F82-V86 HydrophobicContact CD1-CG2 3.78Å; F82-V86 HydrophobicContact CD2-CB 4.3Å; F82-V86 HydrophobicContact CD2-CG2 4.09Å; F82-V86 HydrophobicContact CE1-CG2 4.22Å; F82-V86 HydrophobicContact CE2-CB 4.43Å; F82-V86 HydrophobicContact CG-CB 4.41Å; F82-V86 HydrophobicContact CG-CG2 3.7Å; V86-V149 PolarHBondContact N-O 2.98Å; V86-V149 WeakPolarHBondContact O-CB 3.39Å; V86-V149 PolarHBondContact O-N 3.35Å; V86-E175 WeakPolarHBondContact CA-O 3.45Å; V86-Y176 HydrophobicContact CG2-CD2 4.09Å
87	K	94.6	Very high	93.9	Very high	67 Å²	67	19.6 Å²	19.6	29%	0.291	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	100.6	164.8	178.3	-169.7	-60.5	160.8	0	108.3	I143 F146 G174 E175	K87-I143 HydrophobicContact CD-CG2 3.84Å; K87-I143 HydrophobicContact CG-CG2 3.84Å; K87-F146 CarbonylContact C-O 3.36Å; K87-F146 VanDerWaalsContact CA-O 3.28Å; K87-F146 WeakPolarHBondContact CA-O 3.33Å; K87-G174 CarbonylContact O-C 3.58Å; K87-G174 WeakPolarHBondContact O-CA 3.4Å; K87-E175 HydrophobicContact CB-CB 4.29Å; K87-E175 PolarHBondContact N-O 2.75Å; K87-E175 IonicContact NZ-OE2 2.98Å; K87-E175 PolarHBondContact NZ-OE2 3.24Å; K87-E175 PolarHBondContact O-N 3.05Å
88	L	94.7	Very high	93.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.4	179.9	-170.3	69	0	0	0	109.7	L31 L107 T141 F146 L152 L172	L31-L88 HydrophobicContact CD1-CD1 4.16Å; L88-L107 HydrophobicContact CD2-CD1 4.42Å; L88-T141 HydrophobicContact CD2-CG2 3.85Å; L88-T141 HydrophobicContact CG-CG2 4.1Å; L88-T141 PolarHBondContact O-OG1 2.87Å; L88-F146 HydrophobicContact CB-CB 3.82Å; L88-F146 HydrophobicContact CB-CG 4.49Å; L88-F146 HydrophobicContact CD2-CD1 4.26Å; L88-F146 PolarHBondContact N-O 3.42Å; L88-L152 HydrophobicContact CD2-CD1 4.34Å; L88-L152 HydrophobicContact CD2-CD2 4.09Å; L88-L172 HydrophobicContact CD1-CB 4.09Å; L88-L172 HydrophobicContact CD1-CD2 4.2Å
89	K	94	Very high	93.7	Very high	50 Å²	50	25.7 Å²	25.7	22%	0.217	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-29.9	178.6	-65.6	-178.4	-179.3	176.1	0	113	T141 I143 R173 E175	K89-T141 WeakPolarHBondContact CA-OG1 3.39Å; K89-T141 PolarHBondContact N-OG1 3Å; K89-T141 PolarHBondContact O-N 2.94Å; K89-T141 PolarHBondContact O-OG1 3.15Å; K89-I143 HydrophobicContact CG-CD1 4.07Å; K89-I143 HydrophobicContact CG-CG1 4.22Å; K89-R173 PolarHBondContact N-O 3.45Å; K89-E175 WeakPolarHBondContact CE-OE1 3.2Å; K89-E175 IonicContact NZ-OE1 3.76Å; K89-E175 PolarHBondContact NZ-OE1 2.76Å
90	G	93.6	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	163.2	-179.1	0	0	0	0	0	112.6	Y139 T141 R173	G90-Y139 VanDerWaalsContact CA-O 3.3Å; G90-Y139 WeakPolarHBondContact CA-O 3.46Å; G90-T141 PolarHBondContact N-OG1 2.77Å; G90-R173 PolarHBondContact N-O 3.45Å; G90-R173 PolarHBondContact O-N 2.81Å
91	I	95.1	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.4	176.7	-176	168.1	0	0	0	109.9	I93 I105 L107 F127 Y139 I154 I170 G171 L172	I91-I93 HydrophobicContact CD1-CD1 3.93Å; I91-I93 HydrophobicContact CD1-CG1 4.01Å; I91-I93 HydrophobicContact CG1-CD1 4.42Å; I91-I93 HydrophobicContact CG1-CG1 3.99Å; I91-I105 HydrophobicContact CD1-CD1 4.32Å; I91-I105 HydrophobicContact CG2-CD1 4.22Å; I91-L107 HydrophobicContact CD1-CD2 4.28Å; I91-F127 HydrophobicContact CG2-CD2 4.5Å; I91-F127 HydrophobicContact CG2-CE2 4.12Å; I91-Y139 PolarHBondContact N-O 2.94Å; I91-Y139 PolarHBondContact O-N 2.85Å; I91-I154 HydrophobicContact CD1-CD1 3.68Å; I91-I170 HydrophobicContact CD1-CG2 4.28Å; I91-G171 CarbonylContact C-O 3.55Å; I91-G171 WeakPolarHBondContact CA-O 3.42Å; I91-L172 HydrophobicContact CB-CD2 4.45Å; I91-L172 HydrophobicContact CD1-CD2 3.94Å; I91-L172 HydrophobicContact CG1-CD2 3.96Å
92	I	94.7	Very high	93.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.3	170.5	-67.5	178.9	0	0	0	107.4	F29 W58 A135 E138 Y169 I170 G171	F29-I92 HydrophobicContact CE1-CB 4.46Å; F29-I92 HydrophobicContact CE1-CD1 3.52Å; F29-I92 HydrophobicContact CE1-CG1 3.88Å; F29-I92 HydrophobicContact CE2-CD1 4.05Å; F29-I92 HydrophobicContact CZ-CD1 3.22Å; F29-I92 HydrophobicContact CZ-CG1 3.98Å; W58-I92 HydrophobicContact CH2-CD1 3.74Å; W58-I92 HydrophobicContact CZ3-CD1 3.4Å; I92-A135 HydrophobicContact CG2-CB 3.73Å; I92-E138 HydrophobicContact CD1-CB 4.12Å; I92-E138 HydrophobicContact CD1-CG 4.24Å; I92-E138 HydrophobicContact CG1-CB 3.95Å; I92-E138 HydrophobicContact CG1-CG 3.9Å; I92-Y169 HydrophobicContact CB-CE1 4.47Å; I92-Y169 HydrophobicContact CG2-CD1 4.15Å; I92-Y169 HydrophobicContact CG2-CE1 4.09Å; I92-I170 CarbonylContact O-C 3.57Å; I92-I170 WeakPolarHBondContact O-CA 3.41Å; I92-G171 PolarHBondContact N-O 2.89Å; I92-G171 PolarHBondContact O-N 3.17Å
93	I	94.3	Very high	93.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.8	174.6	-59.6	-172.6	0	0	0	107.5	I91 P102 I105 L129 I154 V167 Y169 I170	I91-I93 HydrophobicContact CD1-CD1 3.93Å; I91-I93 HydrophobicContact CD1-CG1 4.01Å; I91-I93 HydrophobicContact CG1-CD1 4.42Å; I91-I93 HydrophobicContact CG1-CG1 3.99Å; I93-P102 HydrophobicContact CG2-CB 4.39Å; I93-P102 HydrophobicContact CG2-CG 4.05Å; I93-I105 HydrophobicContact CD1-CB 4.48Å; I93-I105 HydrophobicContact CD1-CD1 3.54Å; I93-I105 HydrophobicContact CD1-CG1 4.5Å; I93-I105 HydrophobicContact CD1-CG2 3.76Å; I93-I105 HydrophobicContact CG1-CD1 4.47Å; I93-L129 HydrophobicContact CB-CD1 4.33Å; I93-L129 HydrophobicContact CD1-CD1 4.35Å; I93-L129 HydrophobicContact CG2-CD1 4.45Å; I93-I154 HydrophobicContact CD1-CG2 4.5Å; I93-V167 HydrophobicContact CG2-CG1 4.2Å; I93-Y169 WeakPolarHBondContact CA-O 3.44Å; I93-I170 HydrophobicContact CG1-CG1 4.46Å
94	S	94.4	Very high	94.1	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.8	175.7	-172	0	0	0	0	110.4	D132 P133 Y168 Y169	S94-D132 WeakPolarHBondContact CA-O 3.22Å; S94-D132 WeakPolarHBondContact CB-O 3.16Å; S94-D132 PolarHBondContact OG-O 3.41Å; S94-P133 VanDerWaalsContact OG-C 3.28Å; S94-P133 WeakPolarHBondContact OG-CA 3.33Å; S94-P133 PolarHBondContact OG-O 2.91Å; S94-Y168 PolarHBondContact O-N 3.11Å; S94-Y169 PolarHBondContact N-O 3Å; S94-Y169 PolarHBondContact O-N 2.86Å
95	G	93	Very high	94.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-163.6	173	0	0	0	0	0	112.6	H101 R166	G95-H101 VanDerWaalsContact CA-CD2 3.41Å; G95-H101 WeakPolarHBondContact CA-CD2 3.38Å; G95-H101 PolarHBondContact N-CD2 3.43Å; G95-H101 VanDerWaalsContact N-CD2 3.32Å; G95-H101 PolarHBondContact N-NE2 2.79Å; G95-H101 VanDerWaalsContact N-NE2 3.19Å; G95-R166 WeakPolarHBondContact CA-O 3.49Å
96	E	92.3	Very high	94.7	Very high	42 Å²	42	24.7 Å²	24.7	20%	0.196	12%	0.122	C	C	.	.			trans	-70.8	161.9	174.6	-172.1	50	-89.2	0	0	111.8	R64 D98 S100 H101 R166 Y168	R64-E96 IonicContact CZ-OE1 3.52Å; R64-E96 IonicContact CZ-OE2 3.8Å; R64-E96 IonicContact NH1-OE1 3.77Å; R64-E96 IonicContact NH2-OE1 2.63Å; R64-E96 PolarHBondContact NH2-OE1 2.75Å; R64-E96 IonicContact NH2-OE2 2.72Å; R64-E96 PolarHBondContact NH2-OE2 2.65Å; E96-D98 WeakPolarHBondContact CB-OD1 3.42Å; E96-D98 HydrophobicContact CG-CB 4.23Å; E96-D98 WeakPolarHBondContact CG-OD1 3.45Å; E96-D98 WeakPolarHBondContact CG-OD2 3.29Å; E96-D98 PolarHBondContact O-N 3.26Å; E96-S100 WeakPolarHBondContact CB-OG 3.02Å; E96-H101 WeakPolarHBondContact O-CB 3.22Å; E96-H101 PolarHBondContact O-CD2 2.8Å; E96-R166 HydrophobicContact CB-CB 4.43Å; E96-Y168 HydrophobicContact CB-CE2 3.95Å; E96-Y168 PolarHBondContact OE2-OH 3.47Å
97	N	90.4	Very high	94.8	Very high	107 Å²	107	24.7 Å²	24.7	57%	0.572	12%	0.122	S	C	*	.	S	Bend	trans	-82.3	22.5	175.9	-167.1	37.3	0	0	0	113	P133	N97-P133 HydrophobicContact CB-CB 4.05Å; N97-P133 HydrophobicContact CB-CG 4.05Å
98	D	93.1	Very high	94.9	Very high	54 Å²	54	21.6 Å²	21.6	29%	0.289	11%	0.109	S	C	.	.	S	Bend	trans	-122.1	-161.7	-179.6	65.2	17.6	0	0	0	111.4	E96 S100 H101	E96-D98 WeakPolarHBondContact CB-OD1 3.42Å; E96-D98 HydrophobicContact CG-CB 4.23Å; E96-D98 WeakPolarHBondContact CG-OD1 3.45Å; E96-D98 WeakPolarHBondContact CG-OD2 3.29Å; E96-D98 PolarHBondContact O-N 3.26Å; D98-S100 VanDerWaalsContact C-N 3.26Å; D98-S100 PolarHBondContact O-N 2.97Å; D98-S100 VanDerWaalsContact OD1-CB 3.25Å; D98-S100 WeakPolarHBondContact OD1-CB 3.36Å; D98-S100 PolarHBondContact OD1-N 2.88Å; D98-S100 PolarHBondContact OD1-OG 3.15Å; D98-H101 PolarHBondContact O-N 2.84Å
99	D	95.1	Very high	94.9	Very high	73 Å²	73	24.6 Å²	24.6	39%	0.39	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.3	-176.9	-63.7	-18.6	0	0	0	112.8	H101 R131 F160 G161 D162	D99-H101 PolarHBondContact O-N 3.13Å; D99-R131 IonicContact OD1-CZ 3.26Å; D99-R131 VanDerWaalsContact OD1-CZ 3.26Å; D99-R131 IonicContact OD1-NH1 3.5Å; D99-R131 PolarHBondContact OD1-NH1 2.75Å; D99-R131 IonicContact OD1-NH2 2.62Å; D99-R131 PolarHBondContact OD1-NH2 3.04Å; D99-F160 HydrophobicContact CB-CB 4.4Å; D99-F160 CarbonylContact O-C 3.58Å; D99-F160 WeakPolarHBondContact O-CA 3.37Å; D99-F160 WeakPolarHBondContact O-CB 3.44Å; D99-F160 PolarHBondContact O-N 2.94Å; D99-G161 PolarHBondContact O-N 3.26Å; D99-D162 HydrophobicContact CB-CB 4.02Å
100	S	94.7	Very high	94.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.6	174.2	76.5	0	0	0	0	113.3	E96 D98 N164 T165 R166	E96-S100 WeakPolarHBondContact CB-OG 3.02Å; D98-S100 VanDerWaalsContact C-N 3.26Å; D98-S100 PolarHBondContact O-N 2.97Å; D98-S100 VanDerWaalsContact OD1-CB 3.25Å; D98-S100 WeakPolarHBondContact OD1-CB 3.36Å; D98-S100 PolarHBondContact OD1-N 2.88Å; D98-S100 PolarHBondContact OD1-OG 3.15Å; S100-N164 WeakPolarHBondContact CA-O 3.25Å; S100-N164 WeakPolarHBondContact CB-O 3.14Å; S100-T165 WeakPolarHBondContact O-CA 3.37Å; S100-R166 PolarHBondContact O-N 3.32Å; S100-R166 VanDerWaalsContact O-N 3.08Å
101	H	96	Very high	94.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.136	C	C	.	.	S	Bend	trans	-63.2	137.3	176.5	-168.1	-76.4	0	0	0	110.9	G95 E96 D98 D99 A103 N130 R131 D132 N159 F160	G95-H101 VanDerWaalsContact CA-CD2 3.41Å; G95-H101 WeakPolarHBondContact CA-CD2 3.38Å; G95-H101 PolarHBondContact N-CD2 3.43Å; G95-H101 VanDerWaalsContact N-CD2 3.32Å; G95-H101 PolarHBondContact N-NE2 2.79Å; G95-H101 VanDerWaalsContact N-NE2 3.19Å; E96-H101 WeakPolarHBondContact O-CB 3.22Å; E96-H101 PolarHBondContact O-CD2 2.8Å; D98-H101 PolarHBondContact O-N 2.84Å; D99-H101 PolarHBondContact O-N 3.13Å; H101-A103 PolarHBondContact O-N 3.38Å; H101-N130 PolarHBondContact CE1-O 3.05Å; H101-R131 HydrophobicContact CB-CG 4.26Å; H101-D132 PolarHBondContact NE2-N 2.87Å; H101-N159 CarbonylContact O-C 3.58Å; H101-N159 WeakPolarHBondContact O-CA 3.46Å; H101-N159 VanDerWaalsContact O-CB 3.25Å; H101-N159 WeakPolarHBondContact O-CB 3.41Å; H101-F160 HydrophobicContact CB-CD2 3.93Å; H101-F160 HydrophobicContact CB-CE2 4.41Å; H101-F160 AromaticContact ND1-CE2 3.84Å; H101-F160 VanDerWaalsContact O-CD2 3.3Å; H101-F160 WeakPolarHBondContact O-CD2 3.29Å; H101-F160 PolarHBondContact O-N 3.11Å
102	P	96.3	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	131.2	172.4	-26.7	34.8	0	0	0	112.2	I93 L129 I156 T165 V167	I93-P102 HydrophobicContact CG2-CB 4.39Å; I93-P102 HydrophobicContact CG2-CG 4.05Å; P102-L129 HydrophobicContact CB-CD1 3.76Å; P102-L129 WeakPolarHBondContact O-CB 3.45Å; P102-I156 HydrophobicContact CB-CD1 4.41Å; P102-I156 HydrophobicContact CB-CG2 3.84Å; P102-I156 HydrophobicContact CG-CD1 4.1Å; P102-I156 HydrophobicContact CG-CG2 4.35Å; P102-T165 HydrophobicContact CG-CG2 3.8Å; P102-V167 HydrophobicContact CG-CG2 3.68Å
103	A	96.6	Very high	94.4	Very high	18 Å²	18	38 Å²	38	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-27.4	179.8	0	0	0	0	0	112.7	H101 R128 L129 K158 N159 F160	H101-A103 PolarHBondContact O-N 3.38Å; A103-R128 CarbonylContact O-C 3.21Å; A103-R128 WeakPolarHBondContact O-CA 3.28Å; A103-L129 PolarHBondContact O-N 2.97Å; A103-K158 PolarHBondContact N-O 3.14Å; A103-N159 WeakPolarHBondContact CB-O 3.42Å; A103-F160 HydrophobicContact CB-CD1 4.44Å; A103-F160 HydrophobicContact CB-CD2 3.76Å; A103-F160 HydrophobicContact CB-CE1 4.48Å; A103-F160 HydrophobicContact CB-CE2 3.79Å; A103-F160 HydrophobicContact CB-CG 4.09Å; A103-F160 HydrophobicContact CB-CZ 4.16Å
104	E	96.9	Very high	94.3	Very high	34 Å²	34	38 Å²	38	16%	0.159	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.7	175.9	-171.5	-177.4	122.4	0	0	110.6	R106 F127 S157 K158	E104-R106 IonicContact OE1-CZ 3.26Å; E104-R106 IonicContact OE1-NE 3.2Å; E104-R106 PolarHBondContact OE1-NE 3.41Å; E104-R106 IonicContact OE1-NH2 2.73Å; E104-R106 PolarHBondContact OE1-NH2 2.93Å; E104-F127 WeakPolarHBondContact CA-O 3.5Å; E104-S157 WeakPolarHBondContact CB-OG 3.19Å; E104-S157 WeakPolarHBondContact CG-OG 3.2Å; E104-S157 PolarHBondContact O-N 2.66Å; E104-S157 VanDerWaalsContact O-N 3.08Å; E104-S157 PolarHBondContact OE1-OG 2.96Å; E104-K158 HydrophobicContact CB-CB 4.1Å; E104-K158 PolarHBondContact N-O 3.42Å; E104-K158 VanDerWaalsContact N-O 3.12Å
105	I	97.1	Very high	94.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.3	172.1	63.8	170.5	0	0	0	111.4	I91 I93 A126 F127 L129 H155 I156	I91-I105 HydrophobicContact CD1-CD1 4.32Å; I91-I105 HydrophobicContact CG2-CD1 4.22Å; I93-I105 HydrophobicContact CD1-CB 4.48Å; I93-I105 HydrophobicContact CD1-CD1 3.54Å; I93-I105 HydrophobicContact CD1-CG1 4.5Å; I93-I105 HydrophobicContact CD1-CG2 3.76Å; I93-I105 HydrophobicContact CG1-CD1 4.47Å; I105-A126 CarbonylContact O-C 3.51Å; I105-A126 VanDerWaalsContact O-CA 3.24Å; I105-A126 WeakPolarHBondContact O-CA 3.29Å; I105-F127 HydrophobicContact CD1-CB 4.26Å; I105-F127 HydrophobicContact CD1-CD2 3.88Å; I105-F127 HydrophobicContact CG1-CB 3.81Å; I105-F127 HydrophobicContact CG1-CD2 4.01Å; I105-F127 HydrophobicContact CG1-CG 4.42Å; I105-F127 PolarHBondContact N-O 3.48Å; I105-F127 PolarHBondContact O-N 3.48Å; I105-L129 HydrophobicContact CD1-CD1 4.42Å; I105-L129 HydrophobicContact CD1-CD2 3.97Å; I105-L129 HydrophobicContact CG1-CD1 4.3Å; I105-L129 HydrophobicContact CG1-CD2 4.03Å; I105-L129 HydrophobicContact CG1-CG 4.28Å; I105-L129 HydrophobicContact CG2-CD1 3.6Å; I105-L129 HydrophobicContact CG2-CG 4.35Å; I105-H155 CarbonylContact C-O 3.5Å; I105-H155 VanDerWaalsContact CA-O 3.29Å; I105-H155 WeakPolarHBondContact CA-O 3.25Å; I105-I156 HydrophobicContact CG2-CB 4.43Å; I105-I156 HydrophobicContact CG2-CG1 3.98Å; I105-I156 HydrophobicContact CG2-CG2 4.4Å
106	R	97.6	Very high	94.4	Very high	65 Å²	65	42.8 Å²	42.8	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.5	177.7	-63.1	175.9	-172.5	164	5.7	108.7	E104 Y108 P123 A126 H155	E104-R106 IonicContact OE1-CZ 3.26Å; E104-R106 IonicContact OE1-NE 3.2Å; E104-R106 PolarHBondContact OE1-NE 3.41Å; E104-R106 IonicContact OE1-NH2 2.73Å; E104-R106 PolarHBondContact OE1-NH2 2.93Å; R106-Y108 HydrophobicContact CB-CE2 3.66Å; R106-P123 HydrophobicContact CB-CB 3.93Å; R106-P123 HydrophobicContact CB-CG 4.39Å; R106-P123 HydrophobicContact CG-CB 4.37Å; R106-P123 HydrophobicContact CG-CG 4.29Å; R106-A126 HydrophobicContact CG-CB 4.09Å; R106-H155 HydrophobicContact CB-CB 4.21Å; R106-H155 PolarHBondContact N-O 3.38Å; R106-H155 PolarHBondContact O-N 3.4Å
107	L	97	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.8	-179.3	-58	-173.5	0	0	0	109.8	L88 I91 D124 Q125 F127 T141 F146 I154	L88-L107 HydrophobicContact CD2-CD1 4.42Å; I91-L107 HydrophobicContact CD1-CD2 4.28Å; L107-D124 PolarHBondContact O-N 2.77Å; L107-Q125 WeakPolarHBondContact CB-O 3.38Å; L107-Q125 PolarHBondContact N-O 3.22Å; L107-Q125 PolarHBondContact O-N 2.58Å; L107-F127 HydrophobicContact CD1-CD2 4.41Å; L107-F127 HydrophobicContact CD1-CE2 3.74Å; L107-F127 HydrophobicContact CG-CE2 4.36Å; L107-T141 HydrophobicContact CD1-CG2 3.9Å; L107-F146 HydrophobicContact CB-CE1 4.05Å; L107-F146 HydrophobicContact CB-CZ 3.85Å; L107-F146 HydrophobicContact CD1-CE1 4.45Å; L107-F146 HydrophobicContact CD1-CZ 4.19Å; L107-I154 HydrophobicContact CD2-CB 4.26Å; L107-I154 HydrophobicContact CD2-CG1 3.85Å; L107-I154 HydrophobicContact CD2-CG2 4.02Å
108	Y	96.5	Very high	94.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.3	175	-55.3	-99.1	0	0	0	108.5	R106 I111 M114 T119 R121 P123 S153 H155	R106-Y108 HydrophobicContact CB-CE2 3.66Å; Y108-I111 HydrophobicContact CD1-CD1 4.42Å; Y108-M114 HydrophobicContact CD1-CE 3.77Å; Y108-M114 HydrophobicContact CD1-SD 4.25Å; Y108-M114 HydrophobicContact CD2-CE 3.52Å; Y108-M114 HydrophobicContact CD2-SD 3.61Å; Y108-M114 HydrophobicContact CE1-CE 3.76Å; Y108-M114 HydrophobicContact CE2-CE 3.53Å; Y108-M114 HydrophobicContact CE2-SD 4.23Å; Y108-M114 HydrophobicContact CG-CE 3.65Å; Y108-M114 HydrophobicContact CG-SD 3.63Å; Y108-T119 PolarHBondContact OH-O 2.86Å; Y108-R121 PolarHBondContact OH-O 2.74Å; Y108-P123 HydrophobicContact CD1-CB 4.41Å; Y108-P123 VanDerWaalsContact CE1-CA 3.48Å; Y108-P123 HydrophobicContact CE1-CB 3.87Å; Y108-P123 HydrophobicContact CE2-CB 4.2Å; Y108-S153 PolarHBondContact N-O 2.72Å; Y108-S153 PolarHBondContact O-N 3.02Å; Y108-H155 HydrophobicContact CE2-CB 4.05Å
109	K	94.4	Very high	94.4	Very high	64 Å²	64	43.2 Å²	43.2	28%	0.278	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	145.1	179.6	80.4	-165.5	179.8	-162.9	0	111.6	I111 D124 R145 F146 V149 H151	K109-I111 PolarHBondContact O-N 2.79Å; K109-D124 WeakPolarHBondContact CD-OD1 3.17Å; K109-D124 WeakPolarHBondContact CE-OD1 3.32Å; K109-D124 WeakPolarHBondContact CG-OD2 3.4Å; K109-D124 PolarHBondContact N-OD2 2.94Å; K109-D124 IonicContact NZ-OD1 3.74Å; K109-D124 PolarHBondContact NZ-OD1 2.95Å; K109-R145 WeakPolarHBondContact CD-O 3.37Å; K109-R145 WeakPolarHBondContact CE-O 3.44Å; K109-R145 PolarHBondContact NZ-O 3.18Å; K109-F146 HydrophobicContact CB-CD1 4.29Å; K109-F146 HydrophobicContact CB-CE1 4.27Å; K109-V149 HydrophobicContact CB-CG1 4.36Å; K109-V149 HydrophobicContact CB-CG2 4.39Å; K109-H151 CarbonylContact C-O 3.59Å
110	N	93.8	Very high	94.2	Very high	67 Å²	67	44.3 Å²	44.3	36%	0.358	24%	0.244	S	C	.	.	S	Bend	trans	57.5	31.3	169.2	-56.6	-27.6	0	0	0	114.4	P112 S148 H150 H151	N110-P112 WeakPolarHBondContact O-CD 3.34Å; N110-S148 PolarHBondContact ND2-O 2.81Å; N110-H150 PolarHBondContact OD1-N 3.05Å; N110-H151 PolarHBondContact N-O 2.85Å; N110-H151 PolarHBondContact OD1-N 2.78Å
111	I	92.9	Very high	94.1	Very high	30 Å²	30	51.1 Å²	51.1	15%	0.154	27%	0.27	C	S	.	.			trans	-108.3	95.6	169.6	-54.5	179.5	0	0	0	107.1	Y108 K109 M114 H151 S153	Y108-I111 HydrophobicContact CD1-CD1 4.42Å; K109-I111 PolarHBondContact O-N 2.79Å; I111-M114 HydrophobicContact CG2-CB 4.07Å; I111-M114 HydrophobicContact CG2-CG 4.23Å; I111-H151 PolarHBondContact O-CE1 2.66Å; I111-H151 PolarHBondContact O-ND1 3.07Å; I111-S153 PolarHBondContact O-OG 2.59Å
112	P	89.4	Confident	94	Very high	91 Å²	91	59 Å²	59	59%	0.591	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	141.3	177.9	28.5	-33.4	0	0	0	110	N110 M114	N110-P112 WeakPolarHBondContact O-CD 3.34Å; P112-M114 VanDerWaalsContact C-N 3.3Å; P112-M114 PolarHBondContact O-N 3.36Å
113	Q	89.9	Confident	94	Very high	144 Å²	144	60.5 Å²	60.5	67%	0.673	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	44.1	175.8	-53.4	-172.9	-60.3	0	0	113.6	S115	Q113-S115 PolarHBondContact O-N 3.07Å
114	M	92.9	Very high	94	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	32%	0.318	C	S	.	.			trans	-58.1	138.1	177	-169.1	-178	172.4	0	0	110.6	L77 N79 Y108 I111 P112 D118 T119 S153	L77-M114 HydrophobicContact CD1-SD 4.27Å; L77-M114 HydrophobicContact CD2-CB 4.38Å; L77-M114 HydrophobicContact CD2-CG 4.31Å; L77-M114 WeakPolarHBondContact CD2-O 3.41Å; N79-M114 PolarHBondContact ND2-N 3.09Å; N79-M114 PolarHBondContact ND2-O 3.08Å; N79-M114 VanDerWaalsContact OD1-CB 3.31Å; N79-M114 WeakPolarHBondContact OD1-CB 3.48Å; N79-M114 PolarHBondContact OD1-N 3.47Å; Y108-M114 HydrophobicContact CD1-CE 3.77Å; Y108-M114 HydrophobicContact CD1-SD 4.25Å; Y108-M114 HydrophobicContact CD2-CE 3.52Å; Y108-M114 HydrophobicContact CD2-SD 3.61Å; Y108-M114 HydrophobicContact CE1-CE 3.76Å; Y108-M114 HydrophobicContact CE2-CE 3.53Å; Y108-M114 HydrophobicContact CE2-SD 4.23Å; Y108-M114 HydrophobicContact CG-CE 3.65Å; Y108-M114 HydrophobicContact CG-SD 3.63Å; I111-M114 HydrophobicContact CG2-CB 4.07Å; I111-M114 HydrophobicContact CG2-CG 4.23Å; P112-M114 VanDerWaalsContact C-N 3.3Å; P112-M114 PolarHBondContact O-N 3.36Å; M114-D118 HydrophobicContact CE-CB 3.8Å; M114-D118 HydrophobicContact CG-CB 3.61Å; M114-T119 HydrophobicContact CE-CG2 3.76Å; M114-S153 WeakPolarHBondContact CB-OG 3.49Å; M114-S153 WeakPolarHBondContact SD-CB 3.42Å
115	S	95.1	Very high	94	Very high	37 Å²	37	60.7 Å²	60.7	26%	0.259	32%	0.315	S	S	.	.			trans	-109.8	172.5	175.8	70.6	0	0	0	0	111.4	Q113 D117 D118	Q113-S115 PolarHBondContact O-N 3.07Å; S115-D117 PolarHBondContact O-N 3.17Å; S115-D117 PolarHBondContact OG-N 2.78Å; S115-D118 PolarHBondContact N-OD2 2.82Å; S115-D118 WeakPolarHBondContact O-CB 3.3Å; S115-D118 PolarHBondContact O-N 2.99Å; S115-D118 PolarHBondContact OG-OD2 2.99Å
116	F	94.2	Very high	93.9	Very high	66 Å²	66	63.2 Å²	63.2	29%	0.289	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-63.2	-30.1	174.6	-70	-74.4	0	0	0	112.7	L43 N44 E75 L77 D118 T119	L43-F116 HydrophobicContact CB-CD2 4.5Å; L43-F116 HydrophobicContact CB-CE2 3.61Å; L43-F116 HydrophobicContact CB-CZ 4.06Å; L43-F116 HydrophobicContact CD1-CD2 4.4Å; L43-F116 HydrophobicContact CD1-CE2 4.28Å; N44-F116 HydrophobicContact CB-CE2 4.05Å; N44-F116 HydrophobicContact CB-CZ 3.76Å; E75-F116 HydrophobicContact CB-CE1 3.95Å; L77-F116 HydrophobicContact CB-CE1 3.87Å; L77-F116 HydrophobicContact CB-CZ 3.87Å; F116-D118 PolarHBondContact O-N 2.84Å; F116-T119 HydrophobicContact CD1-CG2 4.46Å; F116-T119 WeakPolarHBondContact O-CB 3.24Å; F116-T119 WeakPolarHBondContact O-CG2 3.36Å; F116-T119 PolarHBondContact O-N 2.87Å; F116-T119 VanDerWaalsContact O-N 3.08Å; F116-T119 PolarHBondContact O-OG1 3.25Å
117	D	92.8	Very high	93.9	Very high	146 Å²	146	61.3 Å²	61.3	78%	0.781	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-62.7	-32.9	175.5	-65.9	-46.9	0	0	0	112.1	S115 T119	S115-D117 PolarHBondContact O-N 3.17Å; S115-D117 PolarHBondContact OG-N 2.78Å; D117-T119 PolarHBondContact O-N 2.81Å
118	D	91.7	Very high	93.9	Very high	47 Å²	47	71.3 Å²	71.3	25%	0.251	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-72.2	-17.7	177.7	-64.5	-75.9	0	0	0	113	M114 S115 F116 A120 R121	M114-D118 HydrophobicContact CE-CB 3.8Å; M114-D118 HydrophobicContact CG-CB 3.61Å; S115-D118 PolarHBondContact N-OD2 2.82Å; S115-D118 WeakPolarHBondContact O-CB 3.3Å; S115-D118 PolarHBondContact O-N 2.99Å; S115-D118 PolarHBondContact OG-OD2 2.99Å; F116-D118 PolarHBondContact O-N 2.84Å; D118-A120 PolarHBondContact O-N 3.44Å; D118-R121 VanDerWaalsContact O-CB 3.28Å; D118-R121 WeakPolarHBondContact O-CB 3.29Å; D118-R121 VanDerWaalsContact O-CG 3.26Å; D118-R121 WeakPolarHBondContact O-CG 3.25Å; D118-R121 PolarHBondContact O-N 3Å; D118-R121 VanDerWaalsContact O-N 3.09Å
119	T	91.3	Very high	93.8	Very high	20 Å²	20	71.7 Å²	71.7	12%	0.123	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-68.6	-16.1	-178.3	70.9	0	0	0	0	112.9	Y108 M114 F116 D117 R121 H155	Y108-T119 PolarHBondContact OH-O 2.86Å; M114-T119 HydrophobicContact CE-CG2 3.76Å; F116-T119 HydrophobicContact CD1-CG2 4.46Å; F116-T119 WeakPolarHBondContact O-CB 3.24Å; F116-T119 WeakPolarHBondContact O-CG2 3.36Å; F116-T119 PolarHBondContact O-N 2.87Å; F116-T119 VanDerWaalsContact O-N 3.08Å; F116-T119 PolarHBondContact O-OG1 3.25Å; D117-T119 PolarHBondContact O-N 2.81Å; T119-R121 PolarHBondContact O-N 2.97Å; T119-H155 HydrophobicContact CG2-CB 4.39Å
120	A	90.6	Very high	93.8	Very high	96 Å²	96	73.6 Å²	73.6	79%	0.793	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-64.8	-17.1	171.9	0	0	0	0	0	113	D118	D118-A120 PolarHBondContact O-N 3.44Å
121	R	92.1	Very high	93.8	Very high	144 Å²	144	75.6 Å²	75.6	54%	0.543	39%	0.385	S	S	.	.	S	Bend	trans	-73.2	155.4	176.1	-60.1	173.1	67.7	163.5	0.8	110.9	Y108 D118 T119 P123	Y108-R121 PolarHBondContact OH-O 2.74Å; D118-R121 VanDerWaalsContact O-CB 3.28Å; D118-R121 WeakPolarHBondContact O-CB 3.29Å; D118-R121 VanDerWaalsContact O-CG 3.26Å; D118-R121 WeakPolarHBondContact O-CG 3.25Å; D118-R121 PolarHBondContact O-N 3Å; D118-R121 VanDerWaalsContact O-N 3.09Å; T119-R121 PolarHBondContact O-N 2.97Å; R121-P123 WeakPolarHBondContact O-CD 3.31Å
122	E	94.4	Very high	93.7	Very high	167 Å²	167	74.6 Å²	74.6	78%	0.78	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-62.2	123.7	174.3	-169.7	-176.5	166.8	0	0	110
123	P	96.4	Very high	93.8	Very high	30 Å²	30	71.6 Å²	71.6	20%	0.195	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-69.6	146.3	176.3	28.5	-33.9	0	0	0	111.2	R106 Y108 R121 Q125 A126	R106-P123 HydrophobicContact CB-CB 3.93Å; R106-P123 HydrophobicContact CB-CG 4.39Å; R106-P123 HydrophobicContact CG-CB 4.37Å; R106-P123 HydrophobicContact CG-CG 4.29Å; Y108-P123 HydrophobicContact CD1-CB 4.41Å; Y108-P123 VanDerWaalsContact CE1-CA 3.48Å; Y108-P123 HydrophobicContact CE1-CB 3.87Å; Y108-P123 HydrophobicContact CE2-CB 4.2Å; R121-P123 WeakPolarHBondContact O-CD 3.31Å; P123-Q125 PolarHBondContact O-N 3.17Å; P123-A126 HydrophobicContact CG-CB 4.19Å
124	D	96.3	Very high	93.7	Very high	34 Å²	34	69 Å²	69	18%	0.182	35%	0.351	C	S	.	.	S	Bend	trans	-58.9	-35.8	173.6	-79.2	-85.3	0	0	0	111	L107 K109 R145 F146	L107-D124 PolarHBondContact O-N 2.77Å; K109-D124 WeakPolarHBondContact CD-OD1 3.17Å; K109-D124 WeakPolarHBondContact CE-OD1 3.32Å; K109-D124 WeakPolarHBondContact CG-OD2 3.4Å; K109-D124 PolarHBondContact N-OD2 2.94Å; K109-D124 IonicContact NZ-OD1 3.74Å; K109-D124 PolarHBondContact NZ-OD1 2.95Å; D124-R145 WeakPolarHBondContact O-CD 3.46Å; D124-R145 PolarHBondContact O-NH1 3.45Å; D124-F146 HydrophobicContact CB-CE1 3.97Å; D124-F146 HydrophobicContact CB-CE2 4.22Å; D124-F146 HydrophobicContact CB-CZ 3.48Å; D124-F146 VanDerWaalsContact CB-CZ 3.48Å
125	Q	96.6	Very high	93.6	Very high	23 Å²	23	68.9 Å²	68.9	11%	0.107	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	143.1	171.3	-172.9	161.1	-14.1	0	0	110.7	L107 P123 F127 P140 F146	L107-Q125 WeakPolarHBondContact CB-O 3.38Å; L107-Q125 PolarHBondContact N-O 3.22Å; L107-Q125 PolarHBondContact O-N 2.58Å; P123-Q125 PolarHBondContact O-N 3.17Å; Q125-F127 VanDerWaalsContact CD-CZ 3.48Å; Q125-F127 HydrophobicContact CG-CE1 4.27Å; Q125-F127 HydrophobicContact CG-CE2 3.92Å; Q125-F127 HydrophobicContact CG-CZ 3.83Å; Q125-P140 PolarHBondContact NE2-O 3.22Å; Q125-F146 HydrophobicContact CB-CE2 3.7Å; Q125-F146 HydrophobicContact CB-CZ 3.86Å
126	A	96.8	Very high	93.3	Very high	53 Å²	53	73.2 Å²	73.2	44%	0.438	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.9	173	0	0	0	0	0	110.3	I105 R106 P123	I105-A126 CarbonylContact O-C 3.51Å; I105-A126 VanDerWaalsContact O-CA 3.24Å; I105-A126 WeakPolarHBondContact O-CA 3.29Å; R106-A126 HydrophobicContact CG-CB 4.09Å; P123-A126 HydrophobicContact CG-CB 4.19Å
127	F	96.7	Very high	93.2	Very high	24 Å²	24	73.6 Å²	73.6	11%	0.105	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141	177.2	-60	-81.4	0	0	0	110.4	I91 E104 I105 L107 Q125 L129 Y139 P140 T141	I91-F127 HydrophobicContact CG2-CD2 4.5Å; I91-F127 HydrophobicContact CG2-CE2 4.12Å; E104-F127 WeakPolarHBondContact CA-O 3.5Å; I105-F127 HydrophobicContact CD1-CB 4.26Å; I105-F127 HydrophobicContact CD1-CD2 3.88Å; I105-F127 HydrophobicContact CG1-CB 3.81Å; I105-F127 HydrophobicContact CG1-CD2 4.01Å; I105-F127 HydrophobicContact CG1-CG 4.42Å; I105-F127 PolarHBondContact N-O 3.48Å; I105-F127 PolarHBondContact O-N 3.48Å; L107-F127 HydrophobicContact CD1-CD2 4.41Å; L107-F127 HydrophobicContact CD1-CE2 3.74Å; L107-F127 HydrophobicContact CG-CE2 4.36Å; Q125-F127 VanDerWaalsContact CD-CZ 3.48Å; Q125-F127 HydrophobicContact CG-CE1 4.27Å; Q125-F127 HydrophobicContact CG-CE2 3.92Å; Q125-F127 HydrophobicContact CG-CZ 3.83Å; F127-L129 HydrophobicContact CB-CD2 4.07Å; F127-Y139 HydrophobicContact CB-CD1 4.28Å; F127-Y139 HydrophobicContact CD1-CD1 4.18Å; F127-Y139 HydrophobicContact CD1-CG 4.43Å; F127-Y139 HydrophobicContact CG-CD1 4.42Å; F127-P140 VanDerWaalsContact CE1-O 3.31Å; F127-P140 WeakPolarHBondContact CE1-O 3.21Å; F127-P140 VanDerWaalsContact CZ-O 3.29Å; F127-P140 WeakPolarHBondContact CZ-O 3.41Å; F127-T141 HydrophobicContact CE2-CG2 4.17Å; F127-T141 HydrophobicContact CZ-CG2 4.02Å
128	R	96.4	Very high	93.1	Very high	211 Å²	211	69.7 Å²	69.7	80%	0.796	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.4	161.5	-68.8	-177.4	177	176.5	-0.8	107.3	A103	A103-R128 CarbonylContact O-C 3.21Å; A103-R128 WeakPolarHBondContact O-CA 3.28Å
129	L	94.9	Very high	93.3	Very high	9 Å²	9	68.7 Å²	68.7	5%	0.047	34%	0.341	C	S	.	.			trans	-93.7	154.8	-176.3	-54.8	-177.1	0	0	0	110.4	I93 P102 A103 I105 F127 Y139 F160	I93-L129 HydrophobicContact CB-CD1 4.33Å; I93-L129 HydrophobicContact CD1-CD1 4.35Å; I93-L129 HydrophobicContact CG2-CD1 4.45Å; P102-L129 HydrophobicContact CB-CD1 3.76Å; P102-L129 WeakPolarHBondContact O-CB 3.45Å; A103-L129 PolarHBondContact O-N 2.97Å; I105-L129 HydrophobicContact CD1-CD1 4.42Å; I105-L129 HydrophobicContact CD1-CD2 3.97Å; I105-L129 HydrophobicContact CG1-CD1 4.3Å; I105-L129 HydrophobicContact CG1-CD2 4.03Å; I105-L129 HydrophobicContact CG1-CG 4.28Å; I105-L129 HydrophobicContact CG2-CD1 3.6Å; I105-L129 HydrophobicContact CG2-CG 4.35Å; F127-L129 HydrophobicContact CB-CD2 4.07Å; L129-Y139 WeakPolarHBondContact CA-OH 3.41Å; L129-Y139 HydrophobicContact CD2-CD1 3.9Å; L129-Y139 HydrophobicContact CD2-CD2 3.67Å; L129-Y139 HydrophobicContact CD2-CE1 3.62Å; L129-Y139 HydrophobicContact CD2-CE2 3.42Å; L129-Y139 VanDerWaalsContact CD2-CE2 3.42Å; L129-Y139 HydrophobicContact CD2-CG 3.91Å; L129-F160 WeakPolarHBondContact O-CZ 3.4Å
130	N	94.3	Very high	93.5	Very high	104 Å²	104	71.7 Å²	71.7	56%	0.556	36%	0.361	S	S	*	.			trans	-104.2	155	167.1	-70.5	49.9	0	0	0	108.8	H101 D132 L137 Y139	H101-N130 PolarHBondContact CE1-O 3.05Å; N130-D132 PolarHBondContact O-N 2.66Å; N130-L137 HydrophobicContact CB-CD1 3.69Å; N130-Y139 PolarHBondContact N-OH 2.77Å
131	R	93.4	Very high	93.7	Very high	109 Å²	109	67.6 Å²	67.6	41%	0.411	33%	0.326	S	S	.	.			trans	-61.8	118.4	173.1	-63.8	-177.3	-171.1	170.7	1.2	109.4	D99 H101 F160	D99-R131 IonicContact OD1-CZ 3.26Å; D99-R131 VanDerWaalsContact OD1-CZ 3.26Å; D99-R131 IonicContact OD1-NH1 3.5Å; D99-R131 PolarHBondContact OD1-NH1 2.75Å; D99-R131 IonicContact OD1-NH2 2.62Å; D99-R131 PolarHBondContact OD1-NH2 3.04Å; H101-R131 HydrophobicContact CB-CG 4.26Å; R131-F160 HydrophobicContact CG-CD1 4.46Å; R131-F160 HydrophobicContact CG-CD2 3.74Å; R131-F160 HydrophobicContact CG-CE1 4.28Å; R131-F160 HydrophobicContact CG-CE2 3.54Å; R131-F160 HydrophobicContact CG-CG 4.21Å; R131-F160 HydrophobicContact CG-CZ 3.84Å
132	D	92.3	Very high	93.8	Very high	9 Å²	9	66.2 Å²	66.2	5%	0.048	32%	0.324	C	S	.	.			trans	-143.1	79.6	-177.9	179.4	22.6	0	0	0	110.9	S94 H101 N130 L134 A135 E136 L137	S94-D132 WeakPolarHBondContact CA-O 3.22Å; S94-D132 WeakPolarHBondContact CB-O 3.16Å; S94-D132 PolarHBondContact OG-O 3.41Å; H101-D132 PolarHBondContact NE2-N 2.87Å; N130-D132 PolarHBondContact O-N 2.66Å; D132-L134 PolarHBondContact O-N 2.95Å; D132-L134 VanDerWaalsContact O-N 3.17Å; D132-L134 PolarHBondContact OD1-N 2.94Å; D132-A135 PolarHBondContact O-N 3.02Å; D132-A135 PolarHBondContact OD1-N 2.91Å; D132-A135 VanDerWaalsContact OD1-N 3.11Å; D132-A135 VanDerWaalsContact OD2-C 3.28Å; D132-A135 VanDerWaalsContact OD2-CA 3.24Å; D132-A135 WeakPolarHBondContact OD2-CA 3.01Å; D132-A135 PolarHBondContact OD2-N 3.17Å; D132-E136 PolarHBondContact OD1-N 3.48Å; D132-E136 PolarHBondContact OD2-N 2.8Å; D132-L137 HydrophobicContact CB-CB 4.25Å; D132-L137 HydrophobicContact CB-CD1 3.99Å; D132-L137 HydrophobicContact CB-CG 4.11Å; D132-L137 WeakPolarHBondContact OD2-CB 3.4Å; D132-L137 PolarHBondContact OD2-N 2.86Å
133	P	89.9	Confident	93.7	Very high	28 Å²	28	62 Å²	62	18%	0.182	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.6	178.3	30.6	-36.7	0	0	0	113.5	S94 N97	S94-P133 VanDerWaalsContact OG-C 3.28Å; S94-P133 WeakPolarHBondContact OG-CA 3.33Å; S94-P133 PolarHBondContact OG-O 2.91Å; N97-P133 HydrophobicContact CB-CB 4.05Å; N97-P133 HydrophobicContact CB-CG 4.05Å
134	L	89.1	Confident	93.4	Very high	90 Å²	90	65.2 Å²	65.2	47%	0.471	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	1.1	-177.1	-62.5	-178.4	0	0	0	113.7	N62 D132 E136	N62-L134 PolarHBondContact OD1-O 3.31Å; D132-L134 PolarHBondContact O-N 2.95Å; D132-L134 VanDerWaalsContact O-N 3.17Å; D132-L134 PolarHBondContact OD1-N 2.94Å; L134-E136 VanDerWaalsContact C-N 3.28Å; L134-E136 HydrophobicContact CB-CG 3.87Å; L134-E136 PolarHBondContact O-N 2.83Å
135	A	90.6	Very high	93.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	55.7	40.5	178.9	0	0	0	0	0	112.9	R61 I92 D132 Y169	R61-A135 HydrophobicContact CB-CB 4.1Å; R61-A135 HydrophobicContact CG-CB 4.13Å; I92-A135 HydrophobicContact CG2-CB 3.73Å; D132-A135 PolarHBondContact O-N 3.02Å; D132-A135 PolarHBondContact OD1-N 2.91Å; D132-A135 VanDerWaalsContact OD1-N 3.11Å; D132-A135 VanDerWaalsContact OD2-C 3.28Å; D132-A135 VanDerWaalsContact OD2-CA 3.24Å; D132-A135 WeakPolarHBondContact OD2-CA 3.01Å; D132-A135 PolarHBondContact OD2-N 3.17Å; A135-Y169 HydrophobicContact CB-CD1 3.68Å; A135-Y169 HydrophobicContact CB-CE1 4.2Å
136	E	88.6	Confident	93.2	Very high	128 Å²	128	67.5 Å²	67.5	60%	0.598	34%	0.34	S	S	*	.			trans	-94.3	-24.5	179.5	-61.9	-170.6	145.6	0	0	113.2	D132 L134	D132-E136 PolarHBondContact OD1-N 3.48Å; D132-E136 PolarHBondContact OD2-N 2.8Å; L134-E136 VanDerWaalsContact C-N 3.28Å; L134-E136 HydrophobicContact CB-CG 3.87Å; L134-E136 PolarHBondContact O-N 2.83Å
137	L	91.4	Very high	92.9	Very high	73 Å²	73	67.8 Å²	67.8	38%	0.382	34%	0.339	S	S	.	.			trans	-88.1	115.1	-177.7	-64.4	-175.9	0	0	0	111.1	N130 D132 Y139	N130-L137 HydrophobicContact CB-CD1 3.69Å; D132-L137 HydrophobicContact CB-CB 4.25Å; D132-L137 HydrophobicContact CB-CD1 3.99Å; D132-L137 HydrophobicContact CB-CG 4.11Å; D132-L137 WeakPolarHBondContact OD2-CB 3.4Å; D132-L137 PolarHBondContact OD2-N 2.86Å; L137-Y139 HydrophobicContact CB-CE2 4.18Å
138	E	92.3	Very high	92.7	Very high	65 Å²	65	69.2 Å²	69.2	30%	0.304	35%	0.352	S	S	.	.			trans	-97.8	133	174	-165.8	-166.9	133.2	0	0	112	I92 P140 R173	I92-E138 HydrophobicContact CD1-CB 4.12Å; I92-E138 HydrophobicContact CD1-CG 4.24Å; I92-E138 HydrophobicContact CG1-CB 3.95Å; I92-E138 HydrophobicContact CG1-CG 3.9Å; E138-P140 WeakPolarHBondContact O-CD 3.43Å; E138-R173 IonicContact OE1-CZ 2.75Å; E138-R173 IonicContact OE1-NE 2.99Å; E138-R173 PolarHBondContact OE1-NE 3.21Å; E138-R173 IonicContact OE1-NH2 2.65Å; E138-R173 PolarHBondContact OE1-NH2 3.18Å; E138-R173 IonicContact OE2-CZ 4Å; E138-R173 IonicContact OE2-NE 2.82Å; E138-R173 PolarHBondContact OE2-NE 2.94Å
139	Y	94.8	Very high	92.7	Very high	25 Å²	25	59.2 Å²	59.2	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	106.1	175	-59.8	-87	0	0	0	109.6	G90 I91 F127 L129 N130 L137	G90-Y139 VanDerWaalsContact CA-O 3.3Å; G90-Y139 WeakPolarHBondContact CA-O 3.46Å; I91-Y139 PolarHBondContact N-O 2.94Å; I91-Y139 PolarHBondContact O-N 2.85Å; F127-Y139 HydrophobicContact CB-CD1 4.28Å; F127-Y139 HydrophobicContact CD1-CD1 4.18Å; F127-Y139 HydrophobicContact CD1-CG 4.43Å; F127-Y139 HydrophobicContact CG-CD1 4.42Å; L129-Y139 WeakPolarHBondContact CA-OH 3.41Å; L129-Y139 HydrophobicContact CD2-CD1 3.9Å; L129-Y139 HydrophobicContact CD2-CD2 3.67Å; L129-Y139 HydrophobicContact CD2-CE1 3.62Å; L129-Y139 HydrophobicContact CD2-CE2 3.42Å; L129-Y139 VanDerWaalsContact CD2-CE2 3.42Å; L129-Y139 HydrophobicContact CD2-CG 3.91Å; N130-Y139 PolarHBondContact N-OH 2.77Å; L137-Y139 HydrophobicContact CB-CE2 4.18Å
140	P	95	Very high	92.6	Very high	83 Å²	83	62.8 Å²	62.8	54%	0.539	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.8	-177.4	27.9	-34.1	0	0	0	111.5	Q125 F127 E138	Q125-P140 PolarHBondContact NE2-O 3.22Å; F127-P140 VanDerWaalsContact CE1-O 3.31Å; F127-P140 WeakPolarHBondContact CE1-O 3.21Å; F127-P140 VanDerWaalsContact CZ-O 3.29Å; F127-P140 WeakPolarHBondContact CZ-O 3.41Å; E138-P140 WeakPolarHBondContact O-CD 3.43Å
141	T	94.6	Very high	92.6	Very high	10 Å²	10	59 Å²	59	6%	0.061	31%	0.309	C	S	.	.			trans	-88.7	153.9	175.9	55.9	0	0	0	0	110.9	L88 K89 G90 L107 F127 I143	L88-T141 HydrophobicContact CD2-CG2 3.85Å; L88-T141 HydrophobicContact CG-CG2 4.1Å; L88-T141 PolarHBondContact O-OG1 2.87Å; K89-T141 WeakPolarHBondContact CA-OG1 3.39Å; K89-T141 PolarHBondContact N-OG1 3Å; K89-T141 PolarHBondContact O-N 2.94Å; K89-T141 PolarHBondContact O-OG1 3.15Å; G90-T141 PolarHBondContact N-OG1 2.77Å; L107-T141 HydrophobicContact CD1-CG2 3.9Å; F127-T141 HydrophobicContact CE2-CG2 4.17Å; F127-T141 HydrophobicContact CZ-CG2 4.02Å; T141-I143 PolarHBondContact O-N 2.93Å
142	K	94.4	Very high	92.8	Very high	115 Å²	115	53.8 Å²	53.8	50%	0.5	29%	0.29	S	S	.	.			trans	-71.8	95.4	172.2	-69.9	176	-176.3	175.9	0	108.5	A144 R145 F146	K142-A144 PolarHBondContact O-N 3.08Å; K142-R145 HydrophobicContact CB-CB 4.26Å; K142-R145 HydrophobicContact CB-CG 4.16Å; K142-R145 WeakPolarHBondContact O-CA 3.2Å; K142-R145 WeakPolarHBondContact O-CB 3.4Å; K142-R145 PolarHBondContact O-N 2.82Å; K142-F146 WeakPolarHBondContact O-CD2 3.3Å; K142-F146 PolarHBondContact O-N 3.32Å
143	I	92.4	Very high	93	Very high	80 Å²	80	53.3 Å²	53.3	41%	0.41	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-39.8	-176.9	-60.3	173.5	0	0	0	112.2	K87 K89 T141 R145 F146 S147	K87-I143 HydrophobicContact CD-CG2 3.84Å; K87-I143 HydrophobicContact CG-CG2 3.84Å; K89-I143 HydrophobicContact CG-CD1 4.07Å; K89-I143 HydrophobicContact CG-CG1 4.22Å; T141-I143 PolarHBondContact O-N 2.93Å; I143-R145 PolarHBondContact O-N 3.23Å; I143-F146 CarbonylContact O-C 3.58Å; I143-F146 PolarHBondContact O-N 3.02Å; I143-F146 VanDerWaalsContact O-N 3.14Å; I143-S147 WeakPolarHBondContact O-CB 3.49Å; I143-S147 PolarHBondContact O-N 3.39Å
144	A	91.6	Very high	93.3	Very high	97 Å²	97	52 Å²	52	80%	0.802	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.2	177.6	0	0	0	0	0	113.7	K142	K142-A144 PolarHBondContact O-N 3.08Å
145	R	92.1	Very high	93.8	Very high	105 Å²	105	47.7 Å²	47.7	40%	0.396	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-33.4	174.8	-66.5	-169.9	175	-166.2	-8	111.8	K109 D124 K142 I143	K109-R145 WeakPolarHBondContact CD-O 3.37Å; K109-R145 WeakPolarHBondContact CE-O 3.44Å; K109-R145 PolarHBondContact NZ-O 3.18Å; D124-R145 WeakPolarHBondContact O-CD 3.46Å; D124-R145 PolarHBondContact O-NH1 3.45Å; K142-R145 HydrophobicContact CB-CB 4.26Å; K142-R145 HydrophobicContact CB-CG 4.16Å; K142-R145 WeakPolarHBondContact O-CA 3.2Å; K142-R145 WeakPolarHBondContact O-CB 3.4Å; K142-R145 PolarHBondContact O-N 2.82Å; I143-R145 PolarHBondContact O-N 3.23Å
146	F	95	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-112.5	38.2	-173.5	-61.6	-89	0	0	0	113.5	K87 L88 L107 K109 D124 Q125 K142 I143 V149 L152	K87-F146 CarbonylContact C-O 3.36Å; K87-F146 VanDerWaalsContact CA-O 3.28Å; K87-F146 WeakPolarHBondContact CA-O 3.33Å; L88-F146 HydrophobicContact CB-CB 3.82Å; L88-F146 HydrophobicContact CB-CG 4.49Å; L88-F146 HydrophobicContact CD2-CD1 4.26Å; L88-F146 PolarHBondContact N-O 3.42Å; L107-F146 HydrophobicContact CB-CE1 4.05Å; L107-F146 HydrophobicContact CB-CZ 3.85Å; L107-F146 HydrophobicContact CD1-CE1 4.45Å; L107-F146 HydrophobicContact CD1-CZ 4.19Å; K109-F146 HydrophobicContact CB-CD1 4.29Å; K109-F146 HydrophobicContact CB-CE1 4.27Å; D124-F146 HydrophobicContact CB-CE1 3.97Å; D124-F146 HydrophobicContact CB-CE2 4.22Å; D124-F146 HydrophobicContact CB-CZ 3.48Å; D124-F146 VanDerWaalsContact CB-CZ 3.48Å; Q125-F146 HydrophobicContact CB-CE2 3.7Å; Q125-F146 HydrophobicContact CB-CZ 3.86Å; K142-F146 WeakPolarHBondContact O-CD2 3.3Å; K142-F146 PolarHBondContact O-N 3.32Å; I143-F146 CarbonylContact O-C 3.58Å; I143-F146 PolarHBondContact O-N 3.02Å; I143-F146 VanDerWaalsContact O-N 3.14Å; F146-V149 HydrophobicContact CB-CG2 3.88Å; F146-V149 HydrophobicContact CD1-CG2 3.96Å; F146-V149 HydrophobicContact CG-CG2 4.43Å; F146-L152 HydrophobicContact CE1-CD1 4.43Å
147	S	91.9	Very high	94.4	Very high	59 Å²	59	42 Å²	42	41%	0.413	23%	0.23	S	C	.	.	S	Bend	trans	-82.3	-23.4	-178.8	56.8	0	0	0	0	114.6	I143	I143-S147 WeakPolarHBondContact O-CB 3.49Å; I143-S147 PolarHBondContact O-N 3.39Å
148	S	92.6	Very high	94.6	Very high	54 Å²	54	43.7 Å²	43.7	38%	0.378	24%	0.235	S	C	.	.	S	Bend	trans	-138.2	80.3	-179.5	-176.4	0	0	0	0	109.4	S85 N110	S85-S148 PolarHBondContact OG-OG 3.12Å; N110-S148 PolarHBondContact ND2-O 2.81Å
149	V	94.9	Very high	94.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.8	178.7	-171.1	0	0	0	0	108.8	F82 V86 K109 F146 H151 L152	F82-V149 HydrophobicContact CD2-CG1 4.21Å; F82-V149 HydrophobicContact CE2-CB 4.5Å; F82-V149 HydrophobicContact CE2-CG1 3.82Å; V86-V149 PolarHBondContact N-O 2.98Å; V86-V149 WeakPolarHBondContact O-CB 3.39Å; V86-V149 PolarHBondContact O-N 3.35Å; K109-V149 HydrophobicContact CB-CG1 4.36Å; K109-V149 HydrophobicContact CB-CG2 4.39Å; F146-V149 HydrophobicContact CB-CG2 3.88Å; F146-V149 HydrophobicContact CD1-CG2 3.96Å; F146-V149 HydrophobicContact CG-CG2 4.43Å; V149-H151 WeakPolarHBondContact CG1-O 3.41Å; V149-L152 HydrophobicContact CG1-CB 3.97Å
150	H	93.9	Very high	94.8	Very high	85 Å²	85	43.7 Å²	43.7	39%	0.394	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-29.8	173.6	-64.1	-68.3	0	0	0	111.9	F82 G84 N110	F82-H150 PolarHBondContact N-O 3.13Å; G84-H150 PolarHBondContact O-ND1 3.18Å; G84-H150 VanDerWaalsContact O-ND1 3.13Å; N110-H150 PolarHBondContact OD1-N 3.05Å
151	H	94.8	Very high	94.7	Very high	23 Å²	23	42.8 Å²	42.8	11%	0.106	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.4	173.8	-166.6	-85.2	0	0	0	107.9	I80 K109 N110 I111 V149	I80-H151 WeakPolarHBondContact O-CA 3.49Å; K109-H151 CarbonylContact C-O 3.59Å; N110-H151 PolarHBondContact N-O 2.85Å; N110-H151 PolarHBondContact OD1-N 2.78Å; I111-H151 PolarHBondContact O-CE1 2.66Å; I111-H151 PolarHBondContact O-ND1 3.07Å; V149-H151 WeakPolarHBondContact CG1-O 3.41Å
152	L	96.4	Very high	94.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.3	175.6	176	68.1	0	0	0	108.6	I80 F82 L88 F146 V149 I154 L172	I80-L152 WeakPolarHBondContact CA-O 3.49Å; I80-L152 HydrophobicContact CB-CB 4.37Å; I80-L152 VanDerWaalsContact CB-O 3.28Å; I80-L152 WeakPolarHBondContact CB-O 3.44Å; I80-L152 HydrophobicContact CD1-CD2 4.31Å; I80-L152 PolarHBondContact N-O 3.17Å; I80-L152 PolarHBondContact O-N 3.26Å; F82-L152 HydrophobicContact CE2-CB 3.63Å; F82-L152 HydrophobicContact CZ-CB 4.08Å; F82-L152 HydrophobicContact CZ-CD2 4.26Å; L88-L152 HydrophobicContact CD2-CD1 4.34Å; L88-L152 HydrophobicContact CD2-CD2 4.09Å; F146-L152 HydrophobicContact CE1-CD1 4.43Å; V149-L152 HydrophobicContact CG1-CB 3.97Å; L152-I154 HydrophobicContact CD2-CD1 4.09Å; L152-I154 HydrophobicContact CD2-CG1 4.08Å; L152-I154 HydrophobicContact CG-CG1 4.01Å; L152-L172 HydrophobicContact CD2-CD1 4.09Å; L152-L172 HydrophobicContact CD2-CD2 4.05Å
153	S	97.1	Very high	94.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.7	170.8	-58.2	0	0	0	0	109.3	F78 N79 Y108 I111 M114	F78-S153 CarbonylContact O-C 3.5Å; F78-S153 WeakPolarHBondContact O-CA 3.37Å; N79-S153 PolarHBondContact OD1-OG 3.17Å; Y108-S153 PolarHBondContact N-O 2.72Å; Y108-S153 PolarHBondContact O-N 3.02Å; I111-S153 PolarHBondContact O-OG 2.59Å; M114-S153 WeakPolarHBondContact CB-OG 3.49Å; M114-S153 WeakPolarHBondContact SD-CB 3.42Å
154	I	96.9	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111.4	178.2	-52	-179.4	0	0	0	107.1	L77 F78 I80 I91 I93 L107 L152 I170 L172	L77-I154 WeakPolarHBondContact CA-O 3.16Å; F78-I154 HydrophobicContact CB-CB 4.25Å; F78-I154 HydrophobicContact CD2-CB 4.44Å; F78-I154 PolarHBondContact N-O 3.26Å; F78-I154 PolarHBondContact O-N 2.91Å; I80-I154 HydrophobicContact CD1-CD1 3.44Å; I80-I154 VanDerWaalsContact CD1-CD1 3.44Å; I80-I154 HydrophobicContact CD1-CG1 3.8Å; I91-I154 HydrophobicContact CD1-CD1 3.68Å; I93-I154 HydrophobicContact CD1-CG2 4.5Å; L107-I154 HydrophobicContact CD2-CB 4.26Å; L107-I154 HydrophobicContact CD2-CG1 3.85Å; L107-I154 HydrophobicContact CD2-CG2 4.02Å; L152-I154 HydrophobicContact CD2-CD1 4.09Å; L152-I154 HydrophobicContact CD2-CG1 4.08Å; L152-I154 HydrophobicContact CG-CG1 4.01Å; I154-I170 HydrophobicContact CD1-CG2 4.09Å; I154-L172 HydrophobicContact CD1-CD2 4.37Å
155	H	97.6	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.4	173.9	176.4	-145.5	0	0	0	108.8	E75 L76 L77 I105 R106 Y108 T119	E75-H155 IonicContact OE1-CD2 2.8Å; E75-H155 IonicContact OE1-CE1 2.66Å; E75-H155 PolarHBondContact OE1-CE1 3.47Å; E75-H155 IonicContact OE1-NE2 3.16Å; E75-H155 PolarHBondContact OE1-NE2 2.81Å; L76-H155 CarbonylContact O-C 3.53Å; L76-H155 WeakPolarHBondContact O-CA 3.49Å; L77-H155 HydrophobicContact CD1-CB 3.68Å; I105-H155 CarbonylContact C-O 3.5Å; I105-H155 VanDerWaalsContact CA-O 3.29Å; I105-H155 WeakPolarHBondContact CA-O 3.25Å; R106-H155 HydrophobicContact CB-CB 4.21Å; R106-H155 PolarHBondContact N-O 3.38Å; R106-H155 PolarHBondContact O-N 3.4Å; Y108-H155 HydrophobicContact CE2-CB 4.05Å; T119-H155 HydrophobicContact CG2-CB 4.39Å
156	I	97.2	Very high	95.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110.9	166.5	-51.1	-177.4	0	0	0	106	E75 L76 F78 P102 I105 T165 V167	E75-I156 VanDerWaalsContact CA-O 3.29Å; E75-I156 WeakPolarHBondContact CA-O 3.5Å; L76-I156 HydrophobicContact CB-CB 4.24Å; L76-I156 HydrophobicContact CB-CD1 4.25Å; L76-I156 HydrophobicContact CB-CG1 4.37Å; L76-I156 HydrophobicContact CD1-CD1 4.36Å; L76-I156 PolarHBondContact N-O 2.74Å; L76-I156 PolarHBondContact O-N 2.78Å; F78-I156 HydrophobicContact CE2-CD1 3.85Å; F78-I156 HydrophobicContact CE2-CG1 4.33Å; P102-I156 HydrophobicContact CB-CD1 4.41Å; P102-I156 HydrophobicContact CB-CG2 3.84Å; P102-I156 HydrophobicContact CG-CD1 4.1Å; P102-I156 HydrophobicContact CG-CG2 4.35Å; I105-I156 HydrophobicContact CG2-CB 4.43Å; I105-I156 HydrophobicContact CG2-CG1 3.98Å; I105-I156 HydrophobicContact CG2-CG2 4.4Å; I156-T165 HydrophobicContact CD1-CG2 4.39Å; I156-T165 HydrophobicContact CG2-CG2 4.09Å; I156-V167 HydrophobicContact CD1-CG2 3.6Å
157	S	96.2	Very high	95.2	Very high	8 Å²	8	39.3 Å²	39.3	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-23.3	-172.8	57.6	0	0	0	0	113.1	E104	E104-S157 WeakPolarHBondContact CB-OG 3.19Å; E104-S157 WeakPolarHBondContact CG-OG 3.2Å; E104-S157 PolarHBondContact O-N 2.66Å; E104-S157 VanDerWaalsContact O-N 3.08Å; E104-S157 PolarHBondContact OE1-OG 2.96Å
158	K	95.6	Very high	95.4	Very high	109 Å²	109	37.4 Å²	37.4	47%	0.474	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.1	-177.4	-62.1	-171.8	176.8	-173.8	0	111.4	A103 E104	A103-K158 PolarHBondContact N-O 3.14Å; E104-K158 HydrophobicContact CB-CB 4.1Å; E104-K158 PolarHBondContact N-O 3.42Å; E104-K158 VanDerWaalsContact N-O 3.12Å
159	N	95.9	Very high	95.5	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-167.7	162.6	66.4	20.5	0	0	0	110.8	E74 H101 A103 G161 D162 N164 T165	E74-N159 HydrophobicContact CB-CB 4.38Å; E74-N159 VanDerWaalsContact CB-ND2 3.3Å; E74-N159 WeakPolarHBondContact CB-ND2 3.4Å; H101-N159 CarbonylContact O-C 3.58Å; H101-N159 WeakPolarHBondContact O-CA 3.46Å; H101-N159 VanDerWaalsContact O-CB 3.25Å; H101-N159 WeakPolarHBondContact O-CB 3.41Å; A103-N159 WeakPolarHBondContact CB-O 3.42Å; N159-G161 VanDerWaalsContact C-N 3.28Å; N159-G161 PolarHBondContact O-N 3.29Å; N159-G161 PolarHBondContact OD1-N 3.08Å; N159-D162 PolarHBondContact ND2-O 3.44Å; N159-D162 PolarHBondContact OD1-N 3.22Å; N159-D162 VanDerWaalsContact OD1-N 3.17Å; N159-D162 PolarHBondContact OD1-O 3.49Å; N159-N164 PolarHBondContact ND2-O 2.56Å; N159-T165 WeakPolarHBondContact CB-OG1 3.48Å
160	F	94.3	Very high	95.5	Very high	74 Å²	74	35 Å²	35	33%	0.325	18%	0.178	S	C	.	.	S	Bend	trans	-84.1	6.1	-178.9	-85.2	-85.3	0	0	0	114.5	D99 H101 A103 L129 R131	D99-F160 HydrophobicContact CB-CB 4.4Å; D99-F160 CarbonylContact O-C 3.58Å; D99-F160 WeakPolarHBondContact O-CA 3.37Å; D99-F160 WeakPolarHBondContact O-CB 3.44Å; D99-F160 PolarHBondContact O-N 2.94Å; H101-F160 HydrophobicContact CB-CD2 3.93Å; H101-F160 HydrophobicContact CB-CE2 4.41Å; H101-F160 AromaticContact ND1-CE2 3.84Å; H101-F160 VanDerWaalsContact O-CD2 3.3Å; H101-F160 WeakPolarHBondContact O-CD2 3.29Å; H101-F160 PolarHBondContact O-N 3.11Å; A103-F160 HydrophobicContact CB-CD1 4.44Å; A103-F160 HydrophobicContact CB-CD2 3.76Å; A103-F160 HydrophobicContact CB-CE1 4.48Å; A103-F160 HydrophobicContact CB-CE2 3.79Å; A103-F160 HydrophobicContact CB-CG 4.09Å; A103-F160 HydrophobicContact CB-CZ 4.16Å; L129-F160 WeakPolarHBondContact O-CZ 3.4Å; R131-F160 HydrophobicContact CG-CD1 4.46Å; R131-F160 HydrophobicContact CG-CD2 3.74Å; R131-F160 HydrophobicContact CG-CE1 4.28Å; R131-F160 HydrophobicContact CG-CE2 3.54Å; R131-F160 HydrophobicContact CG-CG 4.21Å; R131-F160 HydrophobicContact CG-CZ 3.84Å
161	G	92.3	Very high	95.5	Very high	64 Å²	64	31 Å²	31	66%	0.66	16%	0.16	S	C	*	.	S	Bend	trans	127.2	12.6	173.7	0	0	0	0	0	115.8	D99 N159	D99-G161 PolarHBondContact O-N 3.26Å; N159-G161 VanDerWaalsContact C-N 3.28Å; N159-G161 PolarHBondContact O-N 3.29Å; N159-G161 PolarHBondContact OD1-N 3.08Å
162	D	94.2	Very high	95.5	Very high	65 Å²	65	30.1 Å²	30.1	35%	0.348	16%	0.156	S	C	.	.			trans	-90.5	168.2	173.8	-154.6	-10.8	0	0	0	111.2	D99 N159	D99-D162 HydrophobicContact CB-CB 4.02Å; N159-D162 PolarHBondContact ND2-O 3.44Å; N159-D162 PolarHBondContact OD1-N 3.22Å; N159-D162 VanDerWaalsContact OD1-N 3.17Å; N159-D162 PolarHBondContact OD1-O 3.49Å
163	E	93.8	Very high	95.3	Very high	151 Å²	151	32 Å²	32	71%	0.706	16%	0.163	S	C	*	.	S	Bend	trans	-75.8	-31.3	179.3	-64.1	-174.6	166.7	0	0	112.2	D73 E74	D73-E163 CarbonylContact C-O 3.59Å; E74-E163 PolarHBondContact N-O 3.31Å; E74-E163 VanDerWaalsContact N-O 3.15Å
164	N	95.5	Very high	95	Very high	40 Å²	40	32.6 Å²	32.6	21%	0.214	17%	0.17	C	C	.	.	S	Bend	trans	-120.4	153.8	-178.3	-58.7	84.1	0	0	0	110.8	E69 S70 S100 N159	E69-N164 HydrophobicContact CG-CB 4.17Å; S70-N164 PolarHBondContact O-ND2 2.91Å; S70-N164 WeakPolarHBondContact OG-CA 3.43Å; S100-N164 WeakPolarHBondContact CA-O 3.25Å; S100-N164 WeakPolarHBondContact CB-O 3.14Å; N159-N164 PolarHBondContact ND2-O 2.56Å
165	T	96.5	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.			trans	-105.9	131	174.6	-69.6	0	0	0	0	110	E69 S70 E74 L76 S100 P102 I156 N159 V167	E69-T165 WeakPolarHBondContact CA-O 3.41Å; S70-T165 PolarHBondContact N-O 3.19Å; S70-T165 PolarHBondContact OG-N 3.46Å; E74-T165 VanDerWaalsContact O-CB 3.28Å; E74-T165 WeakPolarHBondContact O-CB 3.5Å; E74-T165 PolarHBondContact O-OG1 3.26Å; L76-T165 HydrophobicContact CD1-CG2 4Å; S100-T165 WeakPolarHBondContact O-CA 3.37Å; P102-T165 HydrophobicContact CG-CG2 3.8Å; I156-T165 HydrophobicContact CD1-CG2 4.39Å; I156-T165 HydrophobicContact CG2-CG2 4.09Å; N159-T165 WeakPolarHBondContact CB-OG1 3.48Å; T165-V167 HydrophobicContact CG2-CG2 4.1Å
166	R	95.9	Very high	94.3	Very high	79 Å²	79	39.3 Å²	39.3	30%	0.298	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.9	174.9	-72.1	179.1	172.4	142.9	12.5	111.8	V68 E69 G95 E96 S100 Y168	V68-R166 WeakPolarHBondContact O-CA 3.4Å; E69-R166 HydrophobicContact CB-CG 4.25Å; E69-R166 HydrophobicContact CG-CG 3.99Å; E69-R166 IonicContact OE1-NH2 3.85Å; E69-R166 IonicContact OE2-CZ 3.09Å; E69-R166 IonicContact OE2-NE 2.66Å; E69-R166 PolarHBondContact OE2-NE 2.78Å; E69-R166 IonicContact OE2-NH2 3.85Å; E69-R166 PolarHBondContact OE2-NH2 3.27Å; G95-R166 WeakPolarHBondContact CA-O 3.49Å; E96-R166 HydrophobicContact CB-CB 4.43Å; S100-R166 PolarHBondContact O-N 3.32Å; S100-R166 VanDerWaalsContact O-N 3.08Å; R166-Y168 HydrophobicContact CB-CE2 4.46Å
167	V	96.3	Very high	93.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129	177	-175	0	0	0	0	110.2	V54 Y67 V68 L76 I93 P102 I156 T165 I170	V54-V167 HydrophobicContact CB-CG1 4.49Å; V54-V167 HydrophobicContact CG1-CG1 4.41Å; V54-V167 WeakPolarHBondContact CG1-O 3.24Å; Y67-V167 CarbonylContact C-O 3.59Å; Y67-V167 VanDerWaalsContact CA-O 3.25Å; Y67-V167 WeakPolarHBondContact CA-O 3.5Å; Y67-V167 WeakPolarHBondContact CB-O 3.2Å; V68-V167 HydrophobicContact CG1-CB 3.88Å; V68-V167 PolarHBondContact N-O 2.76Å; V68-V167 PolarHBondContact O-N 3.37Å; L76-V167 HydrophobicContact CD1-CG2 4.37Å; I93-V167 HydrophobicContact CG2-CG1 4.2Å; P102-V167 HydrophobicContact CG-CG2 3.68Å; I156-V167 HydrophobicContact CD1-CG2 3.6Å; T165-V167 HydrophobicContact CG2-CG2 4.1Å; V167-I170 HydrophobicContact CG1-CD1 4.19Å; V167-I170 HydrophobicContact CG1-CG1 3.78Å
168	Y	95.2	Very high	93	Very high	18 Å²	18	48.8 Å²	48.8	7%	0.071	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-26.5	178.1	-68	-84.4	0	0	0	112.9	K56 R64 Y67 S94 E96 R166	K56-Y168 WeakPolarHBondContact CE-O 3.3Å; K56-Y168 PolarHBondContact NZ-O 3.41Å; R64-Y168 HydrophobicContact CB-CD1 3.91Å; R64-Y168 HydrophobicContact CB-CE1 4Å; R64-Y168 HydrophobicContact CG-CD1 4.3Å; Y67-Y168 HydrophobicContact CD1-CE1 4Å; Y67-Y168 HydrophobicContact CG-CD1 4.5Å; Y67-Y168 HydrophobicContact CG-CE1 4.02Å; S94-Y168 PolarHBondContact O-N 3.11Å; E96-Y168 HydrophobicContact CB-CE2 3.95Å; E96-Y168 PolarHBondContact OE2-OH 3.47Å; R166-Y168 HydrophobicContact CB-CE2 4.46Å
169	Y	94.9	Very high	91.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	134.6	-175.3	-179.2	-117.5	0	0	0	112.3	V54 K56 W58 R61 I92 I93 S94 A135 G171	V54-Y169 WeakPolarHBondContact O-CA 3.21Å; K56-Y169 HydrophobicContact CD-CD2 4.14Å; K56-Y169 VanDerWaalsContact CE-CD2 3.47Å; K56-Y169 HydrophobicContact CG-CD2 3.51Å; K56-Y169 HydrophobicContact CG-CE2 3.76Å; K56-Y169 WeakPolarHBondContact O-CE2 3.48Å; W58-Y169 HydrophobicContact CE3-CE1 4.36Å; W58-Y169 HydrophobicContact CZ3-CE1 4.38Å; R61-Y169 HydrophobicContact CB-CD1 3.75Å; R61-Y169 HydrophobicContact CB-CD2 4.19Å; R61-Y169 HydrophobicContact CB-CE1 3.72Å; R61-Y169 HydrophobicContact CB-CE2 4.13Å; R61-Y169 HydrophobicContact CB-CG 3.96Å; I92-Y169 HydrophobicContact CB-CE1 4.47Å; I92-Y169 HydrophobicContact CG2-CD1 4.15Å; I92-Y169 HydrophobicContact CG2-CE1 4.09Å; I93-Y169 WeakPolarHBondContact CA-O 3.44Å; S94-Y169 PolarHBondContact N-O 3Å; S94-Y169 PolarHBondContact O-N 2.86Å; A135-Y169 HydrophobicContact CB-CD1 3.68Å; A135-Y169 HydrophobicContact CB-CE1 4.2Å; Y169-G171 WeakPolarHBondContact OH-CA 3.44Å
170	I	95.2	Very high	89.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.2	164.9	-58.7	177.8	0	0	0	108.3	V54 F55 F78 I91 I92 I93 I154 V167 L172	V54-I170 HydrophobicContact CG2-CB 4.41Å; V54-I170 HydrophobicContact CG2-CD1 3.91Å; V54-I170 HydrophobicContact CG2-CG1 4Å; V54-I170 PolarHBondContact O-N 3.18Å; F55-I170 HydrophobicContact CD1-CB 4.2Å; F55-I170 HydrophobicContact CD1-CG2 4.35Å; F55-I170 HydrophobicContact CE1-CB 3.77Å; F55-I170 HydrophobicContact CE1-CD1 4.48Å; F55-I170 HydrophobicContact CE1-CG2 3.62Å; F55-I170 HydrophobicContact CZ-CB 4.15Å; F55-I170 HydrophobicContact CZ-CD1 4Å; F55-I170 HydrophobicContact CZ-CG2 4.16Å; F78-I170 HydrophobicContact CD1-CD1 4.39Å; F78-I170 HydrophobicContact CD2-CD1 4.25Å; F78-I170 HydrophobicContact CE1-CD1 4.19Å; F78-I170 HydrophobicContact CE2-CD1 4.07Å; F78-I170 HydrophobicContact CG-CD1 4.41Å; F78-I170 HydrophobicContact CZ-CD1 4.04Å; I91-I170 HydrophobicContact CD1-CG2 4.28Å; I92-I170 CarbonylContact O-C 3.57Å; I92-I170 WeakPolarHBondContact O-CA 3.41Å; I93-I170 HydrophobicContact CG1-CG1 4.46Å; I154-I170 HydrophobicContact CD1-CG2 4.09Å; V167-I170 HydrophobicContact CG1-CD1 4.19Å; V167-I170 HydrophobicContact CG1-CG1 3.78Å; I170-L172 HydrophobicContact CG2-CD2 4.23Å
171	G	93.4	Very high	87.5	Confident	2 Å²	2	59.9 Å²	59.9	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.6	176.3	0	0	0	0	0	111	I91 I92 Y169	I91-G171 CarbonylContact C-O 3.55Å; I91-G171 WeakPolarHBondContact CA-O 3.42Å; I92-G171 PolarHBondContact N-O 2.89Å; I92-G171 PolarHBondContact O-N 3.17Å; Y169-G171 WeakPolarHBondContact OH-CA 3.44Å
172	L	94.2	Very high	85.3	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.2	175.5	-57.9	-178.5	0	0	0	109.6	F29 L31 I35 F82 L88 I91 L152 I154 I170	F29-L172 WeakPolarHBondContact CA-O 3.25Å; L31-L172 HydrophobicContact CB-CB 4.01Å; L31-L172 WeakPolarHBondContact CB-O 3.45Å; L31-L172 HydrophobicContact CD1-CB 3.99Å; I35-L172 HydrophobicContact CD1-CD1 4.05Å; F82-L172 HydrophobicContact CE1-CD1 3.93Å; F82-L172 HydrophobicContact CZ-CD1 3.77Å; L88-L172 HydrophobicContact CD1-CB 4.09Å; L88-L172 HydrophobicContact CD1-CD2 4.2Å; I91-L172 HydrophobicContact CB-CD2 4.45Å; I91-L172 HydrophobicContact CD1-CD2 3.94Å; I91-L172 HydrophobicContact CG1-CD2 3.96Å; L152-L172 HydrophobicContact CD2-CD1 4.09Å; L152-L172 HydrophobicContact CD2-CD2 4.05Å; I154-L172 HydrophobicContact CD1-CD2 4.37Å; I170-L172 HydrophobicContact CG2-CD2 4.23Å
173	R	92.5	Very high	82.7	Confident	39 Å²	39	69.7 Å²	69.7	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.8	177.4	-159.8	175.6	56.5	87.6	1.9	110.9	E28 F29 K89 G90 E138	E28-R173 HydrophobicContact CB-CG 3.82Å; E28-R173 WeakPolarHBondContact O-CA 3.45Å; E28-R173 WeakPolarHBondContact O-CG 3.34Å; E28-R173 IonicContact OE1-NH1 3.34Å; F29-R173 HydrophobicContact CD1-CB 3.88Å; F29-R173 HydrophobicContact CD1-CG 4.37Å; F29-R173 HydrophobicContact CE1-CB 3.53Å; F29-R173 HydrophobicContact CE1-CG 4.13Å; F29-R173 HydrophobicContact CE2-CG 4.27Å; F29-R173 HydrophobicContact CZ-CB 3.86Å; F29-R173 HydrophobicContact CZ-CG 4.02Å; K89-R173 PolarHBondContact N-O 3.45Å; G90-R173 PolarHBondContact N-O 3.45Å; G90-R173 PolarHBondContact O-N 2.81Å; E138-R173 IonicContact OE1-CZ 2.75Å; E138-R173 IonicContact OE1-NE 2.99Å; E138-R173 PolarHBondContact OE1-NE 3.21Å; E138-R173 IonicContact OE1-NH2 2.65Å; E138-R173 PolarHBondContact OE1-NH2 3.18Å; E138-R173 IonicContact OE2-CZ 4Å; E138-R173 IonicContact OE2-NE 2.82Å; E138-R173 PolarHBondContact OE2-NE 2.94Å
174	G	90.6	Very high	80.2	Confident	14 Å²	14	68.2 Å²	68.2	14%	0.144	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-163.5	176.3	0	0	0	0	0	115	E28 K87	E28-G174 PolarHBondContact O-N 3.17Å; K87-G174 CarbonylContact O-C 3.58Å; K87-G174 WeakPolarHBondContact O-CA 3.4Å
175	E	90.3	Very high	77.5	Confident	77 Å²	77	71.5 Å²	71.5	36%	0.36	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.8	179.8	-67.4	165.5	-167.5	0	0	109.8	V86 K87 K89	V86-E175 WeakPolarHBondContact CA-O 3.45Å; K87-E175 HydrophobicContact CB-CB 4.29Å; K87-E175 PolarHBondContact N-O 2.75Å; K87-E175 IonicContact NZ-OE2 2.98Å; K87-E175 PolarHBondContact NZ-OE2 3.24Å; K87-E175 PolarHBondContact O-N 3.05Å; K89-E175 WeakPolarHBondContact CE-OE1 3.2Å; K89-E175 IonicContact NZ-OE1 3.76Å; K89-E175 PolarHBondContact NZ-OE1 2.76Å
176	Y	90.4	Very high	74.9	Confident	63 Å²	63	77.8 Å²	77.8	25%	0.247	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.5	170.3	174.6	-97.2	0	0	0	109.9	R34 V86 E178	R34-Y176 HydrophobicContact CB-CD2 3.77Å; R34-Y176 HydrophobicContact CB-CE2 4.07Å; R34-Y176 HydrophobicContact CB-CG 4.44Å; R34-Y176 HydrophobicContact CG-CD1 4.49Å; R34-Y176 HydrophobicContact CG-CD2 3.67Å; R34-Y176 HydrophobicContact CG-CE2 4.17Å; R34-Y176 HydrophobicContact CG-CG 3.84Å; V86-Y176 HydrophobicContact CG2-CD2 4.09Å; Y176-E178 HydrophobicContact CE1-CB 4.13Å
177	S	87.1	Confident	72.3	Confident	65 Å²	65	78.6 Å²	78.6	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.4	169.2	-62.5	0	0	0	0	108.1	S85 A179	S85-S177 PolarHBondContact N-O 2.73Å; S85-S177 PolarHBondContact O-N 3.2Å; S85-S177 VanDerWaalsContact O-O 3.12Å; S177-A179 PolarHBondContact O-N 3.19Å
178	E	78.3	Confident	69.9	Low	143 Å²	143	84.2 Å²	84.2	67%	0.668	43%	0.429	S	S	*	.			trans	-60.7	124.2	178.5	-171.7	167.8	-150.9	0	0	109.5	Y176 H180	Y176-E178 HydrophobicContact CE1-CB 4.13Å; E178-H180 PolarHBondContact O-N 3.47Å
179	A	63.9	Low	67.5	Low	43 Å²	43	93.3 Å²	93.3	36%	0.355	47%	0.465	S	S	.	.			trans	-65.5	101.9	174.5	0	0	0	0	0	107.6	S177 R181	S177-A179 PolarHBondContact O-N 3.19Å; A179-R181 PolarHBondContact O-N 2.91Å
180	H	55.3	Low	65.4	Low	153 Å²	153	101.4 Å²	101.4	71%	0.708	50%	0.502	S	S	*	.			trans	-63.4	94.2	162.2	-81.9	63.5	0	0	0	106.3	E178 H182	E178-H180 PolarHBondContact O-N 3.47Å; H180-H182 PolarHBondContact O-N 3.14Å
181	R	52.8	Low	63.6	Low	234 Å²	234	104.9 Å²	104.9	88%	0.883	53%	0.532	S	S	*	.			trans	-60.4	95.9	158.3	-72.9	-175.5	-178.3	139.4	2.6	104.9	A179 E183	A179-R181 PolarHBondContact O-N 2.91Å; R181-E183 PolarHBondContact O-N 2.72Å
182	H	45.7	Very low	61.6	Low	163 Å²	163	109.2 Å²	109.2	76%	0.755	57%	0.567	S	S	*	*			trans	-61.3	91.5	154.9	-82.8	74.5	0	0	0	104.5	H180 V184	H180-H182 PolarHBondContact O-N 3.14Å; H182-V184 VanDerWaalsContact C-N 3.31Å; H182-V184 PolarHBondContact O-N 2.63Å
183	E	39.2	Very low	59.3	Low	172 Å²	172	113.9 Å²	113.9	80%	0.804	61%	0.606	S	S	*	*			trans	-49.2	114.8	146.1	-88.4	-177.5	159.5	0	0	104.3	R181 T185	R181-E183 PolarHBondContact O-N 2.72Å; E183-T185 PolarHBondContact O-N 3.2Å
184	V	41.4	Very low	57.6	Low	120 Å²	120	117.9 Å²	117.9	73%	0.727	63%	0.631	S	S	*	*			trans	-63.2	89.5	176.2	179.5	0	0	0	0	105.1	H182 I186	H182-V184 VanDerWaalsContact C-N 3.31Å; H182-V184 PolarHBondContact O-N 2.63Å; V184-I186 HydrophobicContact CG1-CG1 3.9Å; V184-I186 PolarHBondContact O-N 3.29Å
185	T	39.2	Very low	55.9	Low	110 Å²	110	123.2 Å²	123.2	68%	0.675	66%	0.663	S	S	*	*			trans	-62	94.8	158.8	-54.2	0	0	0	0	103.8	E183 C187	E183-T185 PolarHBondContact O-N 3.2Å; T185-C187 VanDerWaalsContact CG2-SG 3.59Å; T185-C187 PolarHBondContact O-N 3.17Å
186	I	41.4	Very low	54.3	Low	131 Å²	131	123.4 Å²	123.4	67%	0.672	68%	0.677	S	S	*	*			trans	-62.5	86.6	160.2	-57.4	178.3	0	0	0	103.7	V184 N188	V184-I186 HydrophobicContact CG1-CG1 3.9Å; V184-I186 PolarHBondContact O-N 3.29Å; I186-N188 PolarHBondContact O-N 3.17Å
187	C	40.8	Very low	52.5	Low	97 Å²	97	127 Å²	127	66%	0.655	70%	0.701	S	S	*	*			trans	-64.8	88.4	161.5	-71	0	0	0	0	104.4	T185 Y189	T185-C187 VanDerWaalsContact CG2-SG 3.59Å; T185-C187 PolarHBondContact O-N 3.17Å; C187-Y189 PolarHBondContact O-N 3.34Å
188	N	46.5	Very low	50.9	Low	117 Å²	117	132.4 Å²	132.4	63%	0.626	72%	0.718	S	S	*	*			trans	-58	101.1	163.7	-123.4	36.3	0	0	0	105.3	I186 E190	I186-N188 PolarHBondContact O-N 3.17Å; N188-E190 PolarHBondContact O-N 3.33Å
189	Y	44.4	Very low	49.6	Very low	210 Å²	210	135 Å²	135	82%	0.824	73%	0.727	S	S	*	*			trans	-78.3	73.1	176.1	-145.3	-91.2	0	0	0	106.6	C187 A191	C187-Y189 PolarHBondContact O-N 3.34Å; Y189-A191 HydrophobicContact CD1-CB 3.49Å; Y189-A191 VanDerWaalsContact CD1-CB 3.49Å; Y189-A191 HydrophobicContact CE1-CB 3.5Å; Y189-A191 VanDerWaalsContact CE1-CB 3.5Å; Y189-A191 PolarHBondContact O-N 2.62Å
190	E	51.8	Low	49.1	Very low	171 Å²	171	138.8 Å²	138.8	80%	0.799	75%	0.746	S	S	*	*			trans	-76	65.2	165.2	-72.2	-174.1	-166.8	0	0	108.8	N188 A192	N188-E190 PolarHBondContact O-N 3.33Å; E190-A192 PolarHBondContact O-N 3.5Å
191	A	55.7	Low	48.7	Very low	75 Å²	75	139.9 Å²	139.9	62%	0.62	75%	0.752	S	S	*	*			trans	-91.8	80.8	161.8	0	0	0	0	0	108.4	Y189	Y189-A191 HydrophobicContact CD1-CB 3.49Å; Y189-A191 VanDerWaalsContact CD1-CB 3.49Å; Y189-A191 HydrophobicContact CE1-CB 3.5Å; Y189-A191 VanDerWaalsContact CE1-CB 3.5Å; Y189-A191 PolarHBondContact O-N 2.62Å
192	A	51.1	Low	48.3	Very low	92 Å²	92	133.2 Å²	133.2	76%	0.76	74%	0.741	S	S	*	*			trans	-131.1	101.1	148.2	0	0	0	0	0	107.2	E190 N194	E190-A192 PolarHBondContact O-N 3.5Å; A192-N194 PolarHBondContact O-N 2.92Å; A192-N194 VanDerWaalsContact O-N 3.1Å
193	A	46.5	Very low	48.7	Very low	102 Å²	102	132.6 Å²	132.6	84%	0.843	74%	0.742	S	S	*	*			trans	-58.7	114.7	163.9	0	0	0	0	0	107.5	P195	A193-P195 VanDerWaalsContact O-CD 3.26Å; A193-P195 WeakPolarHBondContact O-CD 3.37Å
194	N	57.9	Low	49.2	Very low	124 Å²	124	131.6 Å²	131.6	66%	0.663	74%	0.74	S	S	*	*			trans	-75.8	115.2	174.9	-167.3	0.7	0	0	0	108.3	A192 A196	A192-N194 PolarHBondContact O-N 2.92Å; A192-N194 VanDerWaalsContact O-N 3.1Å; N194-A196 PolarHBondContact O-N 3Å
195	P	53.5	Low	49.4	Very low	126 Å²	126	130.7 Å²	130.7	82%	0.818	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-0.1	-176.2	-18.4	32.2	0	0	0	114.7	A193	A193-P195 VanDerWaalsContact O-CD 3.26Å; A193-P195 WeakPolarHBondContact O-CD 3.37Å
196	A	58	Low	49.9	Very low	81 Å²	81	134.6 Å²	134.6	67%	0.669	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-6.8	-173.4	0	0	0	0	0	115.1	N194	N194-A196 PolarHBondContact O-N 3Å
197	D	52.7	Low	50.4	Low	137 Å²	137	134.2 Å²	134.2	73%	0.733	75%	0.751	S	S	*	*			trans	-101.8	3.9	-168.5	-148.7	39.5	0	0	0	115.6	K199	D197-K199 PolarHBondContact O-N 3.04Å
198	H	52.8	Low	50.7	Low	179 Å²	179	136.6 Å²	136.6	83%	0.829	76%	0.757	S	S	*	*			trans	-85.8	93.9	167	-101.5	-94.5	0	0	0	110.2	V200	H198-V200 PolarHBondContact O-N 3Å; H198-V200 VanDerWaalsContact O-N 3.09Å
199	K	51	Low	50.6	Low	197 Å²	197	140.7 Å²	140.7	86%	0.857	77%	0.77	S	S	*	*			trans	-67.3	105.1	163.9	-72.7	-178.4	-177.6	176.7	0	109	D197 E201	D197-K199 PolarHBondContact O-N 3.04Å; K199-E201 PolarHBondContact O-N 3.37Å
200	V	52.8	Low	50.7	Low	124 Å²	124	138.5 Å²	138.5	75%	0.752	77%	0.771	S	S	*	*			trans	-77	103.2	167.8	-177.2	0	0	0	0	107.4	H198 S202	H198-V200 PolarHBondContact O-N 3Å; H198-V200 VanDerWaalsContact O-N 3.09Å; V200-S202 PolarHBondContact O-N 3.29Å
201	E	46.5	Very low	50.4	Low	176 Å²	176	139.1 Å²	139.1	82%	0.822	79%	0.794	S	S	*	*			trans	-74.4	93.5	170.1	-150.9	168	-151	0	0	107.8	K199 I203	K199-E201 PolarHBondContact O-N 3.37Å; E201-I203 PolarHBondContact O-N 3.34Å
202	S	46.2	Very low	50.2	Low	94 Å²	94	142.3 Å²	142.3	66%	0.657	80%	0.802	S	S	*	*			trans	-72.6	92.3	176.4	58	0	0	0	0	109.4	V200 I204	V200-S202 PolarHBondContact O-N 3.29Å; S202-I204 PolarHBondContact O-N 3.37Å; S202-I204 VanDerWaalsContact O-N 3.15Å
203	I	52.2	Low	50.1	Low	150 Å²	150	144.9 Å²	144.9	77%	0.769	81%	0.805	S	S	*	*			trans	-62	109.9	166	-57.7	154.7	0	0	0	106.9	E201 P205	E201-I203 PolarHBondContact O-N 3.34Å; I203-P205 VanDerWaalsContact O-CD 3.3Å; I203-P205 WeakPolarHBondContact O-CD 3.34Å
204	I	50.2	Low	50.3	Low	151 Å²	151	147.3 Å²	147.3	77%	0.774	80%	0.803	S	S	*	*			trans	-85.3	114.8	175.1	-30.6	171.5	0	0	0	107.3	S202	S202-I204 PolarHBondContact O-N 3.37Å; S202-I204 VanDerWaalsContact O-N 3.15Å
205	P	45.8	Very low	49.9	Very low	100 Å²	100	148.7 Å²	148.7	65%	0.649	81%	0.811	S	S	*	*			trans	-75.7	130.4	172.7	28.5	-29.7	0	0	0	110	I203 T207	I203-P205 VanDerWaalsContact O-CD 3.3Å; I203-P205 WeakPolarHBondContact O-CD 3.34Å; P205-T207 PolarHBondContact O-N 3.39Å
206	Q	50.2	Low	49.6	Very low	193 Å²	193	150.1 Å²	150.1	90%	0.902	81%	0.81	S	S	*	*			trans	-61.6	125.4	172.1	-63.9	-169.2	-73.5	0	0	110.2
207	T	51.6	Low	49.1	Very low	122 Å²	122	154.7 Å²	154.7	75%	0.748	82%	0.82	S	S	*	*			trans	-122.6	111.8	165.3	49.1	0	0	0	0	109.6	P205	P205-T207 PolarHBondContact O-N 3.39Å
208	N	46.5	Very low	48.8	Very low	148 Å²	148	156 Å²	156	79%	0.791	83%	0.826	S	S	*	*			trans	-66	132.8	166.4	-86.3	-6.8	0	0	0	109.9
209	F	45.8	Very low	48.5	Very low	202 Å²	202	154.2 Å²	154.2	89%	0.886	83%	0.826	S	S	*	*			trans	-138.4	136.2	148.9	-87.5	-79.9	0	0	0	110.6
210	I	45.4	Very low	48.3	Very low	165 Å²	165	150.7 Å²	150.7	85%	0.846	82%	0.823	S	S	*	*			trans	-91	139.7	-175.8	-65	153.6	0	0	0	108.9
211	S	46.5	Very low	47.9	Very low	183 Å²	183	153.1 Å²	153.1	100%	1.28	83%	0.83	S	S	*	*			trans	-158.1	0	130.4	-166.9	0	0	0	0	111.1

Retrieved 211 of 211 residues in 391.1 ms (Link to these results)

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