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Rho GDP-dissociation inhibitor 1

Controls Rho proteins homeostasis. Regulates the GDP/GTP exchange reaction of the Rho proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP to them. Retains Rho proteins such as CDC42, RAC1 and RHOA in an inactive cytosolic pool, regulating their stability and protecting them from degradation. Actively involved in the recycling and distribution of activated Rho GTPases in the cell, mediates extraction from membranes of both inactive and activated molecules due its exceptionally high affinity for prenylated forms. Through the modulation of Rho proteins, may play a role in cell motility regulation. In glioma cells, inhibits cell migration and invasion by mediating the signals of SEMA5A and PLXNB3 that lead to inactivation of RAC1.

AlphaFold DB , UniProt , Accession Q99PT1, Species MOUSE (Mus musculus, Mouse), Gene Arhgdia, Length 204 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.3	Very low	76.1	Confident	231 Å²	231	101 Å²	101	100%	1.138	54%	0.541	S	S	*	.				0	120.7	0	-74.2	-179.3	-124.5	0	0	106.2	E3	M1-E3 PolarHBondContact O-N 2.64Å
2	A	51.3	Low	77.4	Confident	95 Å²	95	97 Å²	97	79%	0.785	53%	0.533	S	S	*	.			trans	-59.4	130.3	176.3	0	0	0	0	0	108.7	Q4 M169	A2-Q4 PolarHBondContact O-N 2.82Å; A2-M169 VanDerWaalsContact O-CE 3.27Å; A2-M169 WeakPolarHBondContact O-CE 3.49Å
3	E	58.9	Low	78.4	Confident	137 Å²	137	98.6 Å²	98.6	64%	0.64	53%	0.534	S	S	*	.			trans	-64.1	99.2	173.8	-65.1	-172.7	143.5	0	0	107.9	M1 E5	M1-E3 PolarHBondContact O-N 2.64Å; E3-E5 PolarHBondContact O-N 2.59Å
4	Q	68.1	Low	79.3	Confident	147 Å²	147	95.8 Å²	95.8	69%	0.687	52%	0.518	S	S	*	.			trans	-65.6	103	174.9	-169	170.9	15.2	0	0	107.9	A2 M169	A2-Q4 PolarHBondContact O-N 2.82Å; Q4-M169 HydrophobicContact CB-CE 4.27Å; Q4-M169 VanDerWaalsContact N-CE 3.3Å
5	E	80.9	Confident	80	Confident	133 Å²	133	90.8 Å²	90.8	62%	0.621	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-58.5	145.8	171.8	-60.2	-170.4	131.7	0	0	109.9	E3 K135	E3-E5 PolarHBondContact O-N 2.59Å; E5-K135 WeakPolarHBondContact OE2-CE 3.3Å; E5-K135 IonicContact OE2-NZ 2.71Å; E5-K135 PolarHBondContact OE2-NZ 2.88Å
6	P	84.9	Confident	80.6	Confident	5 Å²	5	88.4 Å²	88.4	3%	0.032	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-62	144.1	178.7	28.1	-36.9	0	0	0	110.8	Q10 L11 R134 L170	P6-Q10 HydrophobicContact CB-CB 4.41Å; P6-L11 HydrophobicContact CB-CD2 3.99Å; P6-L11 HydrophobicContact CB-CG 4.11Å; P6-L11 HydrophobicContact CG-CD1 4.37Å; P6-L11 HydrophobicContact CG-CD2 3.75Å; P6-L11 HydrophobicContact CG-CG 4.11Å; P6-R134 VanDerWaalsContact CD-NH2 3.27Å; P6-R134 VanDerWaalsContact CG-CZ 3.46Å; P6-L170 HydrophobicContact CB-CD2 4.22Å
7	T	88.4	Confident	81.1	Confident	59 Å²	59	89.5 Å²	89.5	36%	0.362	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-72.8	160.5	172.5	69.6	0	0	0	0	110.5	E9 Q10 L11	T7-E9 PolarHBondContact O-N 3.38Å; T7-Q10 PolarHBondContact O-N 2.99Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.32Å; T7-Q10 PolarHBondContact OG1-N 3.47Å; T7-Q10 PolarHBondContact OG1-OE1 3.04Å; T7-L11 WeakPolarHBondContact O-CG 3.39Å; T7-L11 PolarHBondContact O-N 3Å
8	A	88.5	Confident	81.4	Confident	74 Å²	74	88.3 Å²	88.3	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-59.9	-36.2	174.9	0	0	0	0	0	112	L11 A12	A8-L11 PolarHBondContact O-N 3.45Å; A8-A12 WeakPolarHBondContact O-CB 3.3Å; A8-A12 PolarHBondContact O-N 2.96Å
9	E	90.3	Very high	81.4	Confident	162 Å²	162	90.4 Å²	90.4	76%	0.757	49%	0.49	S	S	*	.	H	α-helix	trans	-63.4	-43.1	175.9	-64.8	174.8	148.8	0	0	111.7	T7 A12 Q13	T7-E9 PolarHBondContact O-N 3.38Å; E9-A12 PolarHBondContact O-N 3.1Å; E9-Q13 WeakPolarHBondContact O-CB 3.36Å; E9-Q13 PolarHBondContact O-N 2.94Å
10	Q	90.9	Very high	80.8	Confident	66 Å²	66	93.9 Å²	93.9	31%	0.308	50%	0.503	S	S	.	.	H	α-helix	trans	-64	-41.9	175.9	-73.3	173.4	-41.4	0	0	111.9	P6 T7 Q13 I14	P6-Q10 HydrophobicContact CB-CB 4.41Å; T7-Q10 PolarHBondContact O-N 2.99Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.32Å; T7-Q10 PolarHBondContact OG1-N 3.47Å; T7-Q10 PolarHBondContact OG1-OE1 3.04Å; Q10-Q13 PolarHBondContact O-N 3.41Å; Q10-I14 VanDerWaalsContact O-CG1 3.31Å; Q10-I14 WeakPolarHBondContact O-CG1 3.45Å; Q10-I14 PolarHBondContact O-N 3.41Å
11	L	91.1	Very high	80.1	Confident	2 Å²	2	95.5 Å²	95.5	1%	0.01	51%	0.512	C	S	.	.	H	α-helix	trans	-65.9	-38.4	176.5	-66.2	176.1	0	0	0	112	P6 T7 A8 I14 A15 R134 K135 V137 I139	P6-L11 HydrophobicContact CB-CD2 3.99Å; P6-L11 HydrophobicContact CB-CG 4.11Å; P6-L11 HydrophobicContact CG-CD1 4.37Å; P6-L11 HydrophobicContact CG-CD2 3.75Å; P6-L11 HydrophobicContact CG-CG 4.11Å; T7-L11 WeakPolarHBondContact O-CG 3.39Å; T7-L11 PolarHBondContact O-N 3Å; A8-L11 PolarHBondContact O-N 3.45Å; L11-I14 PolarHBondContact O-N 3.39Å; L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.31Å; L11-R134 HydrophobicContact CD1-CG 4.42Å; L11-R134 HydrophobicContact CD2-CB 4.18Å; L11-R134 HydrophobicContact CD2-CG 4.14Å; L11-K135 HydrophobicContact CD1-CB 4.17Å; L11-K135 HydrophobicContact CD1-CD 4.34Å; L11-V137 HydrophobicContact CB-CB 4.47Å; L11-V137 HydrophobicContact CB-CG1 4.42Å; L11-I139 HydrophobicContact CB-CG2 4.19Å; L11-I139 HydrophobicContact CD2-CG2 4.08Å
12	A	90.8	Very high	81	Confident	53 Å²	53	89.9 Å²	89.9	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-37.4	176.1	0	0	0	0	0	112	A8 E9 A15 A16	A8-A12 WeakPolarHBondContact O-CB 3.3Å; A8-A12 PolarHBondContact O-N 2.96Å; E9-A12 PolarHBondContact O-N 3.1Å; A12-A15 PolarHBondContact O-N 2.98Å; A12-A16 PolarHBondContact O-N 2.7Å
13	Q	91.2	Very high	81.6	Confident	118 Å²	118	93.2 Å²	93.2	55%	0.551	48%	0.482	S	S	*	.	H	α-helix	trans	-63.8	-47.2	174.3	-175.9	177.3	-3.4	0	0	111.5	E9 Q10 A15 A16 E17	E9-Q13 WeakPolarHBondContact O-CB 3.36Å; E9-Q13 PolarHBondContact O-N 2.94Å; Q10-Q13 PolarHBondContact O-N 3.41Å; Q13-A15 VanDerWaalsContact C-N 3.27Å; Q13-A15 PolarHBondContact O-N 2.93Å; Q13-A16 PolarHBondContact O-N 3.45Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.39Å; Q13-E17 PolarHBondContact NE2-OE1 3.46Å; Q13-E17 WeakPolarHBondContact O-CG 3.42Å; Q13-E17 PolarHBondContact O-N 2.58Å
14	I	90	Very high	81.9	Confident	59 Å²	59	92.3 Å²	92.3	30%	0.303	49%	0.49	S	S	.	.	H	α-helix	trans	-57.8	-42.6	175.2	-66.5	164.2	0	0	0	110.7	Q10 L11 A16 E17 N18 I139	Q10-I14 VanDerWaalsContact O-CG1 3.31Å; Q10-I14 WeakPolarHBondContact O-CG1 3.45Å; Q10-I14 PolarHBondContact O-N 3.41Å; L11-I14 PolarHBondContact O-N 3.39Å; I14-A16 VanDerWaalsContact C-N 3.35Å; I14-A16 PolarHBondContact O-N 2.97Å; I14-E17 PolarHBondContact O-N 3.05Å; I14-N18 PolarHBondContact O-N 3.32Å; I14-N18 VanDerWaalsContact O-N 3.16Å; I14-N18 PolarHBondContact O-ND2 3.46Å; I14-I139 HydrophobicContact CG2-CB 4.29Å
15	A	90.4	Very high	82.2	Confident	21 Å²	21	91.6 Å²	91.6	17%	0.174	50%	0.496	C	S	.	.	H	α-helix	trans	-62.1	-40.7	178.3	0	0	0	0	0	112.7	L11 A12 Q13 E19 K138	L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.31Å; A12-A15 PolarHBondContact O-N 2.98Å; Q13-A15 VanDerWaalsContact C-N 3.27Å; Q13-A15 PolarHBondContact O-N 2.93Å; A15-E19 PolarHBondContact O-N 3.2Å; A15-K138 VanDerWaalsContact CB-O 3.23Å; A15-K138 WeakPolarHBondContact CB-O 3.44Å
16	A	90.1	Very high	82.4	Confident	52 Å²	52	92.1 Å²	92.1	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-68.1	-43.4	178.6	0	0	0	0	0	111.8	A12 Q13 I14 N18 E19 E20	A12-A16 PolarHBondContact O-N 2.7Å; Q13-A16 PolarHBondContact O-N 3.45Å; I14-A16 VanDerWaalsContact C-N 3.35Å; I14-A16 PolarHBondContact O-N 2.97Å; A16-N18 VanDerWaalsContact C-N 3.28Å; A16-N18 PolarHBondContact O-N 2.9Å; A16-E19 PolarHBondContact O-N 2.86Å; A16-E20 PolarHBondContact O-N 3.14Å
17	E	89	Confident	82.6	Confident	108 Å²	108	98.4 Å²	98.4	51%	0.505	53%	0.527	S	S	.	.	H	α-helix	trans	-59	-39.8	177.4	-71.6	170.6	-172.2	0	0	111.6	Q13 I14	Q13-E17 WeakPolarHBondContact CG-OE1 3.39Å; Q13-E17 PolarHBondContact NE2-OE1 3.46Å; Q13-E17 WeakPolarHBondContact O-CG 3.42Å; Q13-E17 PolarHBondContact O-N 2.58Å; I14-E17 PolarHBondContact O-N 3.05Å
18	N	86	Confident	82.7	Confident	68 Å²	68	103.5 Å²	103.5	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-78.4	-17.9	179.8	-69.6	-22.9	0	0	0	114.4	I14 A16 I139	I14-N18 PolarHBondContact O-N 3.32Å; I14-N18 VanDerWaalsContact O-N 3.16Å; I14-N18 PolarHBondContact O-ND2 3.46Å; A16-N18 VanDerWaalsContact C-N 3.28Å; A16-N18 PolarHBondContact O-N 2.9Å; N18-I139 PolarHBondContact ND2-O 3.28Å
19	E	82	Confident	82.9	Confident	128 Å²	128	103.3 Å²	103.3	60%	0.598	54%	0.536	S	S	*	.	H	α-helix	trans	-82.2	-28.8	179.8	-171.2	168.1	-153.7	0	0	112.4	A15 A16 D21 E22	A15-E19 PolarHBondContact O-N 3.2Å; A16-E19 PolarHBondContact O-N 2.86Å; E19-D21 PolarHBondContact O-N 3.25Å; E19-E22 PolarHBondContact O-N 3.09Å
20	E	69.6	Low	83	Confident	159 Å²	159	98.8 Å²	98.8	74%	0.743	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.2	-178.3	-70	-170.8	170.3	0	0	113.6	A16 E22	A16-E20 PolarHBondContact O-N 3.14Å; E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 2.98Å
21	D	66.2	Low	83.1	Confident	129 Å²	129	99.7 Å²	99.7	69%	0.69	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.5	-179.9	-74.3	-32.8	0	0	0	113.9	E19 H23	E19-D21 PolarHBondContact O-N 3.25Å; D21-H23 VanDerWaalsContact C-N 3.3Å; D21-H23 PolarHBondContact O-N 3.41Å
22	E	63.1	Low	83	Confident	113 Å²	113	106.6 Å²	106.6	53%	0.528	57%	0.572	S	S	.	*			trans	-78.7	72.8	-177.3	-155.8	-179.6	159.5	0	0	112.3	E19 E20 S24 K141	E19-E22 PolarHBondContact O-N 3.09Å; E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 2.98Å; E22-S24 PolarHBondContact O-N 2.9Å; E22-K141 IonicContact OE1-NZ 3.35Å; E22-K141 PolarHBondContact OE1-NZ 3.01Å; E22-K141 IonicContact OE2-NZ 2.72Å; E22-K141 PolarHBondContact OE2-NZ 3.47Å
23	H	63	Low	83.1	Confident	164 Å²	164	109.3 Å²	109.3	76%	0.759	57%	0.574	S	S	*	*			trans	-76.9	105.7	170.9	-68.8	-41.7	0	0	0	111.5	D21 V25	D21-H23 VanDerWaalsContact C-N 3.3Å; D21-H23 PolarHBondContact O-N 3.41Å; H23-V25 PolarHBondContact O-N 2.99Å
24	S	64.6	Low	83.1	Confident	118 Å²	118	105.2 Å²	105.2	83%	0.825	56%	0.559	S	S	*	*			trans	-69.9	122.3	174.1	66.3	0	0	0	0	112.2	E22	E22-S24 PolarHBondContact O-N 2.9Å
25	V	76	Confident	83.1	Confident	132 Å²	132	102.7 Å²	102.7	80%	0.8	55%	0.545	S	S	*	.			trans	-91.3	134.8	167.1	-177.1	0	0	0	0	108.2	H23 Y27	H23-V25 PolarHBondContact O-N 2.99Å; V25-Y27 PolarHBondContact O-N 3.29Å
26	N	83.9	Confident	83.1	Confident	144 Å²	144	107.5 Å²	107.5	77%	0.77	56%	0.564	S	S	*	*			trans	-76.4	55.2	-178.2	-167.3	20.8	0	0	0	112.7
27	Y	89	Confident	83.2	Confident	138 Å²	138	109.6 Å²	109.6	54%	0.541	57%	0.565	S	S	.	*			trans	-66.8	137.1	172.5	174.9	-105.2	0	0	0	110.4	V25 P29 P30 D184	V25-Y27 PolarHBondContact O-N 3.29Å; Y27-P29 HydrophobicContact CE1-CG 4.35Å; Y27-P30 WeakPolarHBondContact OH-CD 3.26Å; Y27-D184 WeakPolarHBondContact CE1-OD1 3.27Å; Y27-D184 PolarHBondContact OH-OD2 2.77Å
28	K	91.5	Very high	83.4	Confident	165 Å²	165	106.3 Å²	106.3	72%	0.717	55%	0.551	S	S	*	*			trans	-109.8	116	174.7	-68.8	-177.8	-179.2	179.4	0	108.7
29	P	92.2	Very high	83.5	Confident	70 Å²	70	107.4 Å²	107.4	46%	0.455	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-47.3	144	171.7	-35.2	40.4	0	0	0	113	Y27 D184	Y27-P29 HydrophobicContact CE1-CG 4.35Å; P29-D184 HydrophobicContact CB-CB 4Å; P29-D184 HydrophobicContact CG-CB 4.16Å
30	P	92.5	Very high	84	Confident	68 Å²	68	106.8 Å²	106.8	44%	0.442	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-64.5	159	173.4	29.9	-35	0	0	0	110.7	Y27 S124	Y27-P30 WeakPolarHBondContact OH-CD 3.26Å; P30-S124 WeakPolarHBondContact CG-OG 3.48Å
31	A	92.3	Very high	85.1	Confident	84 Å²	84	102.7 Å²	102.7	69%	0.694	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-66.3	136.7	168.8	0	0	0	0	0	109.8	K33	A31-K33 PolarHBondContact O-N 2.81Å
32	Q	90.7	Very high	86.4	Confident	147 Å²	147	101.2 Å²	101.2	69%	0.687	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-60.3	128.8	174.4	-69.8	-177	-8.5	0	0	110.3	D185	Q32-D185 VanDerWaalsContact CG-OD1 3.31Å; Q32-D185 WeakPolarHBondContact CG-OD1 3.01Å; Q32-D185 PolarHBondContact NE2-OD1 2.71Å
33	K	91.5	Very high	87.7	Confident	111 Å²	111	102.4 Å²	102.4	48%	0.483	53%	0.529	S	S	.	.			trans	-142.2	133.7	171.6	-70.5	-173.3	177.1	-177.8	0	108.4	A31 I38 L41	A31-K33 PolarHBondContact O-N 2.81Å; K33-I38 HydrophobicContact CB-CD1 4.33Å; K33-I38 HydrophobicContact CB-CG1 4.04Å; K33-L41 HydrophobicContact CD-CD1 4.25Å
34	S	92	Very high	89.2	Confident	32 Å²	32	102.4 Å²	102.4	22%	0.224	54%	0.535	C	S	.	.			trans	-68.8	158.7	172.2	62.6	0	0	0	0	111.4	Q36 E37 I38 E121	S34-Q36 PolarHBondContact O-N 2.82Å; S34-E37 WeakPolarHBondContact CB-OE2 3.37Å; S34-E37 PolarHBondContact N-OE2 3.33Å; S34-E37 PolarHBondContact O-N 2.96Å; S34-E37 VanDerWaalsContact OG-CG 3.25Å; S34-E37 WeakPolarHBondContact OG-CG 3.12Å; S34-E37 PolarHBondContact OG-N 3.37Å; S34-E37 VanDerWaalsContact OG-N 3.15Å; S34-E37 PolarHBondContact OG-OE2 3.15Å; S34-I38 WeakPolarHBondContact O-CG1 3.3Å; S34-I38 PolarHBondContact O-N 3.23Å; S34-E121 WeakPolarHBondContact CA-OE2 3.33Å
35	I	90.6	Very high	90.7	Very high	5 Å²	5	99.9 Å²	99.9	3%	0.026	51%	0.512	C	S	.	.	H	α-helix	trans	-56.8	-37.7	171.5	-74	173.3	0	0	0	111.2	I38 Q39 L56 V59 E121 I122 P151	I35-I38 PolarHBondContact O-N 3.34Å; I35-Q39 HydrophobicContact CG2-CG 4.41Å; I35-Q39 WeakPolarHBondContact O-CB 3.48Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.22Å; I35-Q39 PolarHBondContact O-N 2.81Å; I35-L56 HydrophobicContact CD1-CD2 4.37Å; I35-L56 HydrophobicContact CG1-CD2 4.41Å; I35-L56 HydrophobicContact CG2-CD1 4.14Å; I35-V59 HydrophobicContact CG2-CG1 4.18Å; I35-V59 HydrophobicContact CG2-CG2 4.02Å; I35-E121 PolarHBondContact N-OE2 3.3Å; I35-I122 HydrophobicContact CD1-CG1 4.14Å; I35-I122 HydrophobicContact CG1-CD1 4.21Å; I35-I122 HydrophobicContact CG1-CG1 3.87Å; I35-P151 HydrophobicContact CD1-CG 3.32Å
36	Q	90.1	Very high	91.6	Very high	122 Å²	122	99.2 Å²	99.2	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-62.2	-49.5	177.2	-175.9	179.4	-11.9	0	0	111.3	S34 I38 Q39 E40	S34-Q36 PolarHBondContact O-N 2.82Å; Q36-I38 VanDerWaalsContact C-N 3.29Å; Q36-I38 PolarHBondContact O-N 2.71Å; Q36-Q39 WeakPolarHBondContact O-CB 3.5Å; Q36-Q39 PolarHBondContact O-N 3.36Å; Q36-Q39 VanDerWaalsContact O-N 3.09Å; Q36-E40 PolarHBondContact NE2-OE1 3.06Å; Q36-E40 WeakPolarHBondContact O-CG 3.44Å; Q36-E40 PolarHBondContact O-N 2.81Å
37	E	92.4	Very high	92.2	Very high	97 Å²	97	96.1 Å²	96.1	45%	0.453	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-40.6	176.4	-71.3	166.1	108.8	0	0	111.4	S34 Q39 E40 L41	S34-E37 WeakPolarHBondContact CB-OE2 3.37Å; S34-E37 PolarHBondContact N-OE2 3.33Å; S34-E37 PolarHBondContact O-N 2.96Å; S34-E37 VanDerWaalsContact OG-CG 3.25Å; S34-E37 WeakPolarHBondContact OG-CG 3.12Å; S34-E37 PolarHBondContact OG-N 3.37Å; S34-E37 VanDerWaalsContact OG-N 3.15Å; S34-E37 PolarHBondContact OG-OE2 3.15Å; E37-Q39 VanDerWaalsContact C-N 3.3Å; E37-Q39 PolarHBondContact O-N 3.35Å; E37-E40 PolarHBondContact O-N 2.69Å; E37-L41 WeakPolarHBondContact O-CG 3.42Å; E37-L41 PolarHBondContact O-N 2.98Å; E37-L41 VanDerWaalsContact O-N 3.14Å
38	I	91.4	Very high	92.4	Very high	39 Å²	39	92.2 Å²	92.2	20%	0.2	48%	0.478	C	S	.	.	H	α-helix	trans	-61	-40.3	175.6	-69.5	167.7	0	0	0	110.8	K33 S34 I35 Q36 K52 L56 I122	K33-I38 HydrophobicContact CB-CD1 4.33Å; K33-I38 HydrophobicContact CB-CG1 4.04Å; S34-I38 WeakPolarHBondContact O-CG1 3.3Å; S34-I38 PolarHBondContact O-N 3.23Å; I35-I38 PolarHBondContact O-N 3.34Å; Q36-I38 VanDerWaalsContact C-N 3.29Å; Q36-I38 PolarHBondContact O-N 2.71Å; I38-K52 HydrophobicContact CG2-CD 4.17Å; I38-K52 HydrophobicContact CG2-CG 4.26Å; I38-K52 WeakPolarHBondContact O-CD 3.4Å; I38-K52 VanDerWaalsContact O-CE 3.22Å; I38-K52 WeakPolarHBondContact O-CE 3.48Å; I38-K52 PolarHBondContact O-NZ 2.87Å; I38-L56 HydrophobicContact CG2-CD1 4.43Å; I38-I122 HydrophobicContact CD1-CD1 3.57Å
39	Q	88.7	Confident	92.4	Very high	91 Å²	91	91.2 Å²	91.2	43%	0.425	47%	0.47	S	S	.	.	H	α-helix	trans	-70.1	-31.3	177.9	-74.9	178.1	-12.1	0	0	113.4	I35 Q36 E37	I35-Q39 HydrophobicContact CG2-CG 4.41Å; I35-Q39 WeakPolarHBondContact O-CB 3.48Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.22Å; I35-Q39 PolarHBondContact O-N 2.81Å; Q36-Q39 WeakPolarHBondContact O-CB 3.5Å; Q36-Q39 PolarHBondContact O-N 3.36Å; Q36-Q39 VanDerWaalsContact O-N 3.09Å; E37-Q39 VanDerWaalsContact C-N 3.3Å; E37-Q39 PolarHBondContact O-N 3.35Å
40	E	92.3	Very high	92.5	Very high	115 Å²	115	93.6 Å²	93.6	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-76.6	-28.4	179.8	-72.6	176.7	-176.4	0	0	113	Q36 E37	Q36-E40 PolarHBondContact NE2-OE1 3.06Å; Q36-E40 WeakPolarHBondContact O-CG 3.44Å; Q36-E40 PolarHBondContact O-N 2.81Å; E37-E40 PolarHBondContact O-N 2.69Å
41	L	93.1	Very high	92.6	Very high	73 Å²	73	97.3 Å²	97.3	38%	0.382	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137.5	173.5	-69.4	168.3	0	0	0	110.9	K33 E37 K43 K52	K33-L41 HydrophobicContact CD-CD1 4.25Å; E37-L41 WeakPolarHBondContact O-CG 3.42Å; E37-L41 PolarHBondContact O-N 2.98Å; E37-L41 VanDerWaalsContact O-N 3.14Å; L41-K43 PolarHBondContact O-N 3.39Å; L41-K52 PolarHBondContact O-NZ 3.24Å
42	D	93.6	Very high	92.6	Very high	98 Å²	98	94.6 Å²	94.6	52%	0.524	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	37.2	172.9	-45.4	-64.6	0	0	0	114.3	D44 D45 L48	D42-D44 PolarHBondContact O-N 3.37Å; D42-D44 VanDerWaalsContact O-N 3.1Å; D42-D45 HydrophobicContact CB-CB 4.2Å; D42-D45 WeakPolarHBondContact O-CB 3.35Å; D42-D45 PolarHBondContact O-N 2.8Å; D42-L48 HydrophobicContact CB-CB 4.37Å; D42-L48 HydrophobicContact CB-CD1 3.42Å; D42-L48 VanDerWaalsContact CB-CD1 3.42Å
43	K	91.4	Very high	92.5	Very high	137 Å²	137	92.8 Å²	92.8	60%	0.596	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.1	-176.2	-169.4	175.7	-178.4	176.7	0	113.5	L41 D45 R49	L41-K43 PolarHBondContact O-N 3.39Å; K43-D45 VanDerWaalsContact C-N 3.34Å; K43-R49 WeakPolarHBondContact O-CD 3.23Å
44	D	93.5	Very high	92.5	Very high	164 Å²	164	91.7 Å²	91.7	88%	0.877	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.8	179	-55.5	-42.4	0	0	0	112.6	D42	D42-D44 PolarHBondContact O-N 3.37Å; D42-D44 VanDerWaalsContact O-N 3.1Å
45	D	96.2	Very high	92.5	Very high	65 Å²	65	95.2 Å²	95.2	35%	0.348	47%	0.471	S	S	.	.			trans	-91.2	110.2	178.3	-170.6	-44	0	0	0	110.9	D42 K43 S47 L48 R49	D42-D45 HydrophobicContact CB-CB 4.2Å; D42-D45 WeakPolarHBondContact O-CB 3.35Å; D42-D45 PolarHBondContact O-N 2.8Å; K43-D45 VanDerWaalsContact C-N 3.34Å; D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 2.81Å; D45-S47 WeakPolarHBondContact OD1-CA 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.37Å; D45-S47 PolarHBondContact OD1-N 2.8Å; D45-S47 PolarHBondContact OD1-OG 3.27Å; D45-L48 HydrophobicContact CB-CB 4.08Å; D45-L48 HydrophobicContact CB-CD1 4.05Å; D45-L48 HydrophobicContact CB-CG 4.22Å; D45-L48 PolarHBondContact O-N 3.48Å; D45-L48 PolarHBondContact OD1-N 3.38Å; D45-R49 WeakPolarHBondContact O-CB 3.35Å; D45-R49 WeakPolarHBondContact O-CG 3.38Å; D45-R49 PolarHBondContact O-N 2.98Å
46	E	94.5	Very high	92.4	Very high	119 Å²	119	95.8 Å²	95.8	56%	0.556	47%	0.474	S	S	*	.	H	α-helix	trans	-61.2	-37.2	179.5	-168.6	-171	157.8	0	0	112.7	R49 K50	E46-R49 PolarHBondContact O-N 2.82Å; E46-K50 HydrophobicContact CG-CD 4.38Å; E46-K50 WeakPolarHBondContact O-CG 3.11Å; E46-K50 PolarHBondContact O-N 3.47Å; E46-K50 VanDerWaalsContact OE1-CE 3.3Å; E46-K50 WeakPolarHBondContact OE1-CE 3.4Å; E46-K50 IonicContact OE1-NZ 2.64Å; E46-K50 PolarHBondContact OE1-NZ 2.82Å
47	S	95.9	Very high	92	Very high	78 Å²	78	91.8 Å²	91.8	55%	0.545	47%	0.465	S	S	.	.	H	α-helix	trans	-68.5	-43.6	-177.8	75.8	0	0	0	0	111.1	D45 K50 Y51	D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 2.81Å; D45-S47 WeakPolarHBondContact OD1-CA 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.37Å; D45-S47 PolarHBondContact OD1-N 2.8Å; D45-S47 PolarHBondContact OD1-OG 3.27Å; S47-K50 PolarHBondContact O-N 3.03Å; S47-Y51 WeakPolarHBondContact O-CB 3.33Å; S47-Y51 PolarHBondContact O-N 3.19Å
48	L	94	Very high	91.2	Very high	56 Å²	56	97.7 Å²	97.7	29%	0.293	48%	0.483	S	S	.	.	H	α-helix	trans	-70.5	-34.4	177.3	-68.7	176.8	0	0	0	112	D42 D45 Y51 K52	D42-L48 HydrophobicContact CB-CB 4.37Å; D42-L48 HydrophobicContact CB-CD1 3.42Å; D42-L48 VanDerWaalsContact CB-CD1 3.42Å; D45-L48 HydrophobicContact CB-CB 4.08Å; D45-L48 HydrophobicContact CB-CD1 4.05Å; D45-L48 HydrophobicContact CB-CG 4.22Å; D45-L48 PolarHBondContact O-N 3.48Å; D45-L48 PolarHBondContact OD1-N 3.38Å; L48-Y51 PolarHBondContact O-N 3Å; L48-K52 VanDerWaalsContact O-CG 3.26Å; L48-K52 WeakPolarHBondContact O-CG 3.33Å; L48-K52 PolarHBondContact O-N 3.14Å
49	R	92	Very high	89.9	Confident	144 Å²	144	97.9 Å²	97.9	54%	0.543	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-48.4	171.3	-79.9	178.8	47.3	-164	-4.5	112.4	K43 D45 E46 Y51 K52 E53	K43-R49 WeakPolarHBondContact O-CD 3.23Å; D45-R49 WeakPolarHBondContact O-CB 3.35Å; D45-R49 WeakPolarHBondContact O-CG 3.38Å; D45-R49 PolarHBondContact O-N 2.98Å; E46-R49 PolarHBondContact O-N 2.82Å; R49-Y51 VanDerWaalsContact C-N 3.3Å; R49-Y51 PolarHBondContact O-N 3.24Å; R49-K52 PolarHBondContact O-N 3.09Å; R49-E53 PolarHBondContact O-N 3.16Å
50	K	93.9	Very high	88.5	Confident	121 Å²	121	96.8 Å²	96.8	53%	0.526	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-39.3	176.1	-78	174	170	167.8	0	111.8	E46 S47 E53 A54	E46-K50 HydrophobicContact CG-CD 4.38Å; E46-K50 WeakPolarHBondContact O-CG 3.11Å; E46-K50 PolarHBondContact O-N 3.47Å; E46-K50 VanDerWaalsContact OE1-CE 3.3Å; E46-K50 WeakPolarHBondContact OE1-CE 3.4Å; E46-K50 IonicContact OE1-NZ 2.64Å; E46-K50 PolarHBondContact OE1-NZ 2.82Å; S47-K50 PolarHBondContact O-N 3.03Å; K50-E53 PolarHBondContact O-N 2.89Å; K50-A54 WeakPolarHBondContact O-CB 3.34Å; K50-A54 PolarHBondContact O-N 2.94Å
51	Y	93.5	Very high	87.1	Confident	145 Å²	145	94.8 Å²	94.8	57%	0.569	49%	0.488	S	S	*	.	H	α-helix	trans	-60.9	-46.8	175.7	179	-106.7	0	0	0	112.2	S47 L48 R49 A54 L55	S47-Y51 WeakPolarHBondContact O-CB 3.33Å; S47-Y51 PolarHBondContact O-N 3.19Å; L48-Y51 PolarHBondContact O-N 3Å; R49-Y51 VanDerWaalsContact C-N 3.3Å; R49-Y51 PolarHBondContact O-N 3.24Å; Y51-A54 PolarHBondContact O-N 2.89Å; Y51-L55 HydrophobicContact CD1-CD1 4.2Å; Y51-L55 HydrophobicContact CE1-CD1 3.57Å; Y51-L55 HydrophobicContact CE2-CD1 3.93Å; Y51-L55 HydrophobicContact CE2-CG 4.49Å; Y51-L55 VanDerWaalsContact CZ-CD1 3.42Å; Y51-L55 PolarHBondContact O-N 3.33Å
52	K	92.5	Very high	85.7	Confident	28 Å²	28	93.5 Å²	93.5	12%	0.122	49%	0.485	C	S	.	.	H	α-helix	trans	-63.6	-43.1	176.5	-69	166.4	-166.1	-178.1	0	112	I38 L41 L48 R49 A54 L55 L56	I38-K52 HydrophobicContact CG2-CD 4.17Å; I38-K52 HydrophobicContact CG2-CG 4.26Å; I38-K52 WeakPolarHBondContact O-CD 3.4Å; I38-K52 VanDerWaalsContact O-CE 3.22Å; I38-K52 WeakPolarHBondContact O-CE 3.48Å; I38-K52 PolarHBondContact O-NZ 2.87Å; L41-K52 PolarHBondContact O-NZ 3.24Å; L48-K52 VanDerWaalsContact O-CG 3.26Å; L48-K52 WeakPolarHBondContact O-CG 3.33Å; L48-K52 PolarHBondContact O-N 3.14Å; R49-K52 PolarHBondContact O-N 3.09Å; K52-A54 VanDerWaalsContact C-N 3.32Å; K52-A54 PolarHBondContact O-N 2.8Å; K52-L55 PolarHBondContact O-N 3.35Å; K52-L56 WeakPolarHBondContact O-CB 3.38Å; K52-L56 PolarHBondContact O-N 2.81Å
53	E	90.4	Very high	84.2	Confident	108 Å²	108	93.3 Å²	93.3	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-38.5	176.7	-174.3	174.9	-169.4	0	0	111.8	R49 K50 L55 G57	R49-E53 PolarHBondContact O-N 3.16Å; K50-E53 PolarHBondContact O-N 2.89Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.94Å; E53-G57 WeakPolarHBondContact O-CA 3.43Å; E53-G57 PolarHBondContact O-N 2.81Å
54	A	91.5	Very high	83.6	Confident	88 Å²	88	90.1 Å²	90.1	73%	0.727	49%	0.487	S	S	*	.	H	α-helix	trans	-65.6	-34.7	177.1	0	0	0	0	0	113	K50 Y51 K52	K50-A54 WeakPolarHBondContact O-CB 3.34Å; K50-A54 PolarHBondContact O-N 2.94Å; Y51-A54 PolarHBondContact O-N 2.89Å; K52-A54 VanDerWaalsContact C-N 3.32Å; K52-A54 PolarHBondContact O-N 2.8Å
55	L	91.1	Very high	82.9	Confident	107 Å²	107	87.1 Å²	87.1	56%	0.56	48%	0.476	S	S	*	.	H	α-helix	trans	-87	-41.5	-178.4	-69.1	178.9	0	0	0	113.9	Y51 K52 E53	Y51-L55 HydrophobicContact CD1-CD1 4.2Å; Y51-L55 HydrophobicContact CE1-CD1 3.57Å; Y51-L55 HydrophobicContact CE2-CD1 3.93Å; Y51-L55 HydrophobicContact CE2-CG 4.49Å; Y51-L55 VanDerWaalsContact CZ-CD1 3.42Å; Y51-L55 PolarHBondContact O-N 3.33Å; K52-L55 PolarHBondContact O-N 3.35Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.94Å
56	L	88	Confident	82.4	Confident	17 Å²	17	90.6 Å²	90.6	9%	0.089	49%	0.494	C	S	.	.	H	α-helix	trans	-97.5	-10.4	-174.4	-59.9	173.8	0	0	0	112.6	I35 I38 K52 V59 I122	I35-L56 HydrophobicContact CD1-CD2 4.37Å; I35-L56 HydrophobicContact CG1-CD2 4.41Å; I35-L56 HydrophobicContact CG2-CD1 4.14Å; I38-L56 HydrophobicContact CG2-CD1 4.43Å; K52-L56 WeakPolarHBondContact O-CB 3.38Å; K52-L56 PolarHBondContact O-N 2.81Å; L56-V59 HydrophobicContact CB-CG2 4.25Å; L56-I122 HydrophobicContact CD2-CD1 3.9Å; L56-I122 HydrophobicContact CD2-CG1 3.94Å
57	G	83.1	Confident	82.1	Confident	37 Å²	37	86.6 Å²	86.6	38%	0.381	48%	0.478	S	S	.	.			trans	61	-161	-171.7	0	0	0	0	0	112.4	E53 V59	E53-G57 WeakPolarHBondContact O-CA 3.43Å; E53-G57 PolarHBondContact O-N 2.81Å; G57-V59 PolarHBondContact O-N 2.72Å
58	R	74.2	Confident	82	Confident	222 Å²	222	86.6 Å²	86.6	84%	0.838	48%	0.476	S	S	*	.	S	Bend	trans	-78	106.9	163.5	-68.1	-176.6	-178.1	176.6	1.5	107	A60	R58-A60 PolarHBondContact O-N 2.98Å
59	V	64.1	Low	82.1	Confident	42 Å²	42	85.3 Å²	85.3	26%	0.255	47%	0.47	S	S	.	.			trans	-59.6	98.1	-174.1	-166.6	0	0	0	0	110.2	I35 L56 G57 V61 P151	I35-V59 HydrophobicContact CG2-CG1 4.18Å; I35-V59 HydrophobicContact CG2-CG2 4.02Å; L56-V59 HydrophobicContact CB-CG2 4.25Å; G57-V59 PolarHBondContact O-N 2.72Å; V59-V61 VanDerWaalsContact C-N 3.32Å; V59-V61 HydrophobicContact CB-CG2 4.38Å; V59-V61 HydrophobicContact CG1-CB 4.46Å; V59-V61 HydrophobicContact CG1-CG2 3.22Å; V59-V61 PolarHBondContact O-N 3.39Å; V59-P151 HydrophobicContact CG1-CG 4.43Å
60	A	60	Low	82.3	Confident	69 Å²	69	78.7 Å²	78.7	57%	0.57	45%	0.445	S	S	*	.			trans	-91.1	75.2	167	0	0	0	0	0	107	R58 S62	R58-A60 PolarHBondContact O-N 2.98Å; A60-S62 PolarHBondContact O-N 3.35Å
61	V	63.4	Low	82.4	Confident	73 Å²	73	75.5 Å²	75.5	44%	0.442	43%	0.433	S	S	.	.			trans	-64	126.9	175.2	-169.8	0	0	0	0	107.7	V59 A63 R120	V59-V61 VanDerWaalsContact C-N 3.32Å; V59-V61 HydrophobicContact CB-CG2 4.38Å; V59-V61 HydrophobicContact CG1-CB 4.46Å; V59-V61 HydrophobicContact CG1-CG2 3.22Å; V59-V61 PolarHBondContact O-N 3.39Å; V61-A63 PolarHBondContact O-N 3.06Å; V61-A63 VanDerWaalsContact O-N 3.09Å; V61-R120 HydrophobicContact CG1-CB 4.25Å; V61-R120 HydrophobicContact CG1-CG 4.19Å
62	S	62.8	Low	82.6	Confident	45 Å²	45	69 Å²	69	32%	0.315	41%	0.408	S	S	.	.			trans	-63	113.4	162.8	-177.6	0	0	0	0	108.1	A60 D64 N119	A60-S62 PolarHBondContact O-N 3.35Å; S62-D64 PolarHBondContact O-N 2.86Å; S62-N119 PolarHBondContact N-O 3.27Å; S62-N119 VanDerWaalsContact N-O 3.16Å
63	A	62.4	Low	82.9	Confident	94 Å²	94	68.4 Å²	68.4	78%	0.777	41%	0.407	S	S	*	.			trans	-72.3	-5	-176	0	0	0	0	0	113.6	V61 P65	V61-A63 PolarHBondContact O-N 3.06Å; V61-A63 VanDerWaalsContact O-N 3.09Å; A63-P65 WeakPolarHBondContact O-CD 3.31Å
64	D	77.8	Confident	83.2	Confident	71 Å²	71	68 Å²	68	38%	0.38	40%	0.401	S	S	.	.			trans	-81.2	109.7	-177.6	-170.5	-6.6	0	0	0	111	S62 N66 V67	S62-D64 PolarHBondContact O-N 2.86Å; D64-N66 PolarHBondContact O-N 3.02Å; D64-N66 VanDerWaalsContact OD1-CB 3.3Å; D64-N66 WeakPolarHBondContact OD1-CB 3.38Å; D64-N66 PolarHBondContact OD1-N 3.27Å; D64-N66 PolarHBondContact OD1-ND2 3.15Å; D64-V67 HydrophobicContact CB-CG2 3.88Å; D64-V67 PolarHBondContact O-N 3.42Å
65	P	80.1	Confident	83.4	Confident	101 Å²	101	64 Å²	64	66%	0.656	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.3	178.9	30.3	-36.8	0	0	0	113.1	A63 V67	A63-P65 WeakPolarHBondContact O-CD 3.31Å; P65-V67 VanDerWaalsContact C-N 3.28Å
66	N	85.5	Confident	83.6	Confident	137 Å²	137	59.4 Å²	59.4	73%	0.733	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.9	180	-56.1	-64.3	0	0	0	112.9	D64	D64-N66 PolarHBondContact O-N 3.02Å; D64-N66 VanDerWaalsContact OD1-CB 3.3Å; D64-N66 WeakPolarHBondContact OD1-CB 3.38Å; D64-N66 PolarHBondContact OD1-N 3.27Å; D64-N66 PolarHBondContact OD1-ND2 3.15Å
67	V	89.1	Confident	83.8	Confident	36 Å²	36	59.6 Å²	59.6	22%	0.218	35%	0.345	C	S	.	.	S	Bend	trans	-88.2	125.2	179.8	-175.2	0	0	0	0	109.4	D64 P65 I71 N119 R120	D64-V67 HydrophobicContact CB-CG2 3.88Å; D64-V67 PolarHBondContact O-N 3.42Å; P65-V67 VanDerWaalsContact C-N 3.28Å; V67-I71 HydrophobicContact CG1-CD1 3.66Å; V67-N119 HydrophobicContact CG1-CB 4.39Å; V67-N119 WeakPolarHBondContact CG1-ND2 3.45Å; V67-R120 PolarHBondContact O-NE 2.86Å
68	P	93.6	Very high	84.4	Confident	77 Å²	77	61.1 Å²	61.1	50%	0.5	35%	0.347	S	S	.	.			trans	-54.1	150.2	173.5	-26.7	35.1	0	0	0	112.2	V70 I71 N119	P68-V70 VanDerWaalsContact C-N 3.34Å; P68-V70 PolarHBondContact O-N 2.77Å; P68-I71 HydrophobicContact CB-CG1 4.26Å; P68-N119 PolarHBondContact O-ND2 3.4Å
69	N	94.8	Very high	85.3	Confident	30 Å²	30	51.2 Å²	51.2	16%	0.16	31%	0.312	C	S	.	.	S	Bend	trans	-63.6	-43.5	-179.3	-171.6	37.3	0	0	0	111.7	V118 N119 R120 E121	N69-V118 CarbonylContact O-C 3.6Å; N69-V118 WeakPolarHBondContact O-CA 3.29Å; N69-N119 PolarHBondContact O-N 2.76Å; N69-R120 WeakPolarHBondContact OD1-CA 3.3Å; N69-R120 PolarHBondContact OD1-N 2.82Å; N69-E121 PolarHBondContact ND2-O 2.87Å; N69-E121 PolarHBondContact OD1-N 2.87Å; N69-E121 PolarHBondContact OD1-O 2.88Å
70	V	96.7	Very high	86.6	Confident	4 Å²	4	55 Å²	55	2%	0.024	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.1	175.8	-178.3	0	0	0	0	108.9	P68 V72 R117 V123 M126 H189	P68-V70 VanDerWaalsContact C-N 3.34Å; P68-V70 PolarHBondContact O-N 2.77Å; V70-V72 HydrophobicContact CG1-CG2 4.31Å; V70-R117 WeakPolarHBondContact CA-O 3.34Å; V70-V123 HydrophobicContact CG2-CB 3.92Å; V70-V123 HydrophobicContact CG2-CG1 4.4Å; V70-V123 HydrophobicContact CG2-CG2 3.92Å; V70-M126 HydrophobicContact CG1-SD 3.9Å; V70-H189 HydrophobicContact CB-CB 4.33Å; V70-H189 HydrophobicContact CG1-CB 4.41Å
71	I	96.5	Very high	88.2	Confident	55 Å²	55	55.4 Å²	55.4	28%	0.282	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.6	170	-61.3	174.7	0	0	0	107.3	V67 P68 F116 R117	V67-I71 HydrophobicContact CG1-CD1 3.66Å; P68-I71 HydrophobicContact CB-CG1 4.26Å; I71-F116 CarbonylContact O-C 3.58Å; I71-F116 VanDerWaalsContact O-CA 3.29Å; I71-F116 WeakPolarHBondContact O-CA 3.5Å; I71-R117 PolarHBondContact N-O 2.93Å; I71-R117 PolarHBondContact O-N 3.37Å
72	V	97.6	Very high	89.6	Confident	7 Å²	7	53 Å²	53	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.4	172.2	-170.3	0	0	0	0	107.6	V70 L90 I114 F116 F181 L190	V70-V72 HydrophobicContact CG1-CG2 4.31Å; V72-L90 HydrophobicContact CB-CD1 4.39Å; V72-L90 HydrophobicContact CG1-CD1 3.64Å; V72-I114 HydrophobicContact CG1-CG2 4.3Å; V72-F116 HydrophobicContact CB-CB 4.47Å; V72-F116 HydrophobicContact CG1-CB 4.45Å; V72-F116 HydrophobicContact CG2-CB 4.27Å; V72-F181 HydrophobicContact CB-CD2 4.22Å; V72-F181 HydrophobicContact CB-CE2 4.26Å; V72-F181 HydrophobicContact CG1-CD2 4.07Å; V72-F181 HydrophobicContact CG1-CE2 3.6Å; V72-F181 HydrophobicContact CG1-CZ 4.04Å; V72-F181 HydrophobicContact CG2-CB 4.26Å; V72-F181 HydrophobicContact CG2-CD1 4.32Å; V72-F181 HydrophobicContact CG2-CD2 3.61Å; V72-F181 HydrophobicContact CG2-CE2 3.99Å; V72-F181 HydrophobicContact CG2-CG 3.8Å; V72-L190 HydrophobicContact CB-CD2 4.1Å
73	T	97.4	Very high	90.9	Very high	16 Å²	16	55.6 Å²	55.6	10%	0.098	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-40.2	-173.5	81.8	0	0	0	0	111.8	L90 S115 R117 E155	T73-L90 PolarHBondContact O-N 3.31Å; T73-S115 PolarHBondContact N-O 3.22Å; T73-R117 HydrophobicContact CG2-CG 4.32Å; T73-E155 WeakPolarHBondContact CB-OE1 3.44Å; T73-E155 VanDerWaalsContact CG2-OE1 3.24Å; T73-E155 WeakPolarHBondContact CG2-OE1 3.46Å; T73-E155 PolarHBondContact OG1-OE1 3.3Å; T73-E155 PolarHBondContact OG1-OE2 3.47Å
74	R	96.9	Very high	92.1	Very high	99 Å²	99	52.9 Å²	52.9	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.7	-174.8	72.4	-165.3	83.7	-177.3	6.9	113.1	L88 S115 E155	R74-L88 WeakPolarHBondContact CA-O 3.15Å; R74-L88 WeakPolarHBondContact CB-O 3.41Å; R74-S115 PolarHBondContact N-O 3.2Å; R74-S115 PolarHBondContact O-N 3.33Å; R74-E155 IonicContact NH2-OE2 3.87Å
75	L	96.3	Very high	92.4	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.9	166.9	-172.1	154.7	0	0	0	108.5	E87 L88 L90 I112 K113 Y128 W192	L75-E87 WeakPolarHBondContact O-CA 3.17Å; L75-L88 HydrophobicContact CB-CB 4.35Å; L75-L88 HydrophobicContact CB-CD1 4.48Å; L75-L88 HydrophobicContact CD2-CD1 4.35Å; L75-L88 PolarHBondContact N-O 2.87Å; L75-L88 PolarHBondContact O-N 2.87Å; L75-L90 HydrophobicContact CB-CD1 4.06Å; L75-I112 HydrophobicContact CD1-CG2 3.8Å; L75-I112 HydrophobicContact CD2-CG2 3.73Å; L75-I112 HydrophobicContact CG-CG2 3.57Å; L75-K113 WeakPolarHBondContact CA-O 3.27Å; L75-Y128 HydrophobicContact CD1-CE1 4.33Å; L75-Y128 HydrophobicContact CD1-CE2 4.4Å; L75-W192 HydrophobicContact CD1-CH2 4.12Å; L75-W192 HydrophobicContact CD1-CZ2 3.83Å
76	T	95	Very high	92.9	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.6	178.6	-55.6	0	0	0	0	109.6	V78 L86 E87 K113	T76-V78 HydrophobicContact CG2-CG2 4.15Å; T76-V78 PolarHBondContact O-N 3.03Å; T76-L86 CarbonylContact C-O 3.52Å; T76-L86 WeakPolarHBondContact CA-O 3.44Å; T76-E87 HydrophobicContact CG2-CG 3.68Å; T76-E87 WeakPolarHBondContact CG2-OE1 3.35Å; T76-E87 WeakPolarHBondContact OG1-CG 3.11Å; T76-E87 PolarHBondContact OG1-OE1 3.38Å; T76-K113 PolarHBondContact N-O 3.26Å; T76-K113 PolarHBondContact O-N 2.82Å
77	L	92.7	Very high	93.3	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	106.6	168	-167.3	122.2	0	0	0	109.2	C79 L86 L104 Y110	L77-C79 HydrophobicContact CD2-CB 4.05Å; L77-C79 PolarHBondContact O-N 3.08Å; L77-L86 HydrophobicContact CB-CB 3.93Å; L77-L86 HydrophobicContact CB-CD1 4.43Å; L77-L86 HydrophobicContact CD2-CD1 3.55Å; L77-L86 PolarHBondContact N-O 2.78Å; L77-L104 HydrophobicContact CD2-CD1 3.75Å; L77-Y110 HydrophobicContact CD1-CD2 3.63Å; L77-Y110 HydrophobicContact CD1-CE2 4.13Å; L77-Y110 HydrophobicContact CD1-CG 4.12Å; L77-Y110 HydrophobicContact CD2-CG 4.42Å; L77-Y110 HydrophobicContact CG-CD2 4.07Å; L77-Y110 HydrophobicContact CG-CG 4.31Å
78	V	94.9	Very high	93.5	Very high	69 Å²	69	47.8 Å²	47.8	42%	0.418	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	101.4	179.9	-175.8	0	0	0	0	108.6	T76 Y110 R111 K113 L159	T76-V78 HydrophobicContact CG2-CG2 4.15Å; T76-V78 PolarHBondContact O-N 3.03Å; V78-Y110 CarbonylContact O-C 3.58Å; V78-Y110 WeakPolarHBondContact O-CA 3.37Å; V78-R111 HydrophobicContact CB-CB 4.41Å; V78-R111 PolarHBondContact N-O 3.42Å; V78-R111 PolarHBondContact O-N 2.49Å; V78-K113 HydrophobicContact CG2-CB 3.8Å; V78-L159 HydrophobicContact CG2-CD2 4.2Å
79	C	93.7	Very high	93.6	Very high	15 Å²	15	48.6 Å²	48.6	10%	0.101	29%	0.289	C	S	.	.			trans	-131.9	119.2	175.2	-178.4	0	0	0	0	109.4	L77 T81 A82 E109 W202	L77-C79 HydrophobicContact CD2-CB 4.05Å; L77-C79 PolarHBondContact O-N 3.08Å; C79-T81 PolarHBondContact O-N 2.84Å; C79-T81 PolarHBondContact SG-OG1 2.91Å; C79-T81 VanDerWaalsContact SG-OG1 3.33Å; C79-A82 HydrophobicContact CB-CB 4.05Å; C79-A82 WeakPolarHBondContact O-CB 3.49Å; C79-A82 PolarHBondContact O-N 2.94Å; C79-E109 PolarHBondContact SG-O 2.96Å; C79-W202 HydrophobicContact CB-CH2 4.4Å
80	S	91.8	Very high	93.7	Very high	122 Å²	122	47.6 Å²	47.6	85%	0.853	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.2	-176.9	55.4	0	0	0	0	113.6
81	T	93.5	Very high	93.6	Very high	76 Å²	76	51.7 Å²	51.7	47%	0.466	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-6.3	-178.7	69.1	0	0	0	0	113.4	C79 W202	C79-T81 PolarHBondContact O-N 2.84Å; C79-T81 PolarHBondContact SG-OG1 2.91Å; C79-T81 VanDerWaalsContact SG-OG1 3.33Å; T81-W202 PolarHBondContact O-NE1 2.8Å; T81-W202 WeakPolarHBondContact OG1-CZ2 3.27Å
82	A	92.2	Very high	93.4	Very high	22 Å²	22	51.1 Å²	51.1	18%	0.182	32%	0.317	C	S	.	.			trans	-67.4	138	178	0	0	0	0	0	110.5	C79 G84 L86 W202	C79-A82 HydrophobicContact CB-CB 4.05Å; C79-A82 WeakPolarHBondContact O-CB 3.49Å; C79-A82 PolarHBondContact O-N 2.94Å; A82-G84 PolarHBondContact O-N 3.03Å; A82-L86 HydrophobicContact CB-CD1 4.14Å; A82-W202 HydrophobicContact CB-CH2 3.7Å; A82-W202 HydrophobicContact CB-CZ2 3.99Å; A82-W202 HydrophobicContact CB-CZ3 4.07Å
83	P	89.9	Confident	93.2	Very high	101 Å²	101	55.8 Å²	55.8	66%	0.656	34%	0.342	S	S	*	.	S	Bend	trans	-72	-12.2	-179.1	28.8	-35.6	0	0	0	113.9	W202	P83-W202 HydrophobicContact CG-CB 4.11Å; P83-W202 HydrophobicContact CG-CG 4.37Å
84	G	87.4	Confident	93.1	Very high	36 Å²	36	56.8 Å²	56.8	37%	0.371	35%	0.346	S	S	.	.	S	Bend	trans	-161.7	172.3	-179	0	0	0	0	0	111.8	A82	A82-G84 PolarHBondContact O-N 3.03Å
85	P	86	Confident	93	Very high	114 Å²	114	57.2 Å²	57.2	74%	0.74	35%	0.352	S	S	*	.			trans	-65.8	136.3	178.3	28.7	-34	0	0	0	110.4	E87	P85-E87 HydrophobicContact CB-CG 4.24Å
86	L	89.5	Confident	92.8	Very high	29 Å²	29	58.7 Å²	58.7	15%	0.152	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	93.2	175	-62.2	171.4	0	0	0	106.8	T76 L77 A82 F102 W202	T76-L86 CarbonylContact C-O 3.52Å; T76-L86 WeakPolarHBondContact CA-O 3.44Å; L77-L86 HydrophobicContact CB-CB 3.93Å; L77-L86 HydrophobicContact CB-CD1 4.43Å; L77-L86 HydrophobicContact CD2-CD1 3.55Å; L77-L86 PolarHBondContact N-O 2.78Å; A82-L86 HydrophobicContact CB-CD1 4.14Å; L86-F102 HydrophobicContact CB-CD1 4.08Å; L86-F102 HydrophobicContact CB-CE1 4.4Å; L86-F102 HydrophobicContact CD2-CD1 3.8Å; L86-F102 HydrophobicContact CD2-CE1 4.48Å; L86-W202 HydrophobicContact CD1-CH2 4.38Å; L86-W202 HydrophobicContact CD1-CZ3 4.01Å
87	E	93.4	Very high	92.8	Very high	92 Å²	92	58.9 Å²	58.9	43%	0.43	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.6	-171.6	-62.8	-163.5	149.3	0	0	111.8	L75 T76 P85	L75-E87 WeakPolarHBondContact O-CA 3.17Å; T76-E87 HydrophobicContact CG2-CG 3.68Å; T76-E87 WeakPolarHBondContact CG2-OE1 3.35Å; T76-E87 WeakPolarHBondContact OG1-CG 3.11Å; T76-E87 PolarHBondContact OG1-OE1 3.38Å; P85-E87 HydrophobicContact CB-CG 4.24Å
88	L	94.2	Very high	92.7	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.021	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.1	169.9	-65.5	173.2	0	0	0	108.3	R74 L75 L90 F97 F102 W194	R74-L88 WeakPolarHBondContact CA-O 3.15Å; R74-L88 WeakPolarHBondContact CB-O 3.41Å; L75-L88 HydrophobicContact CB-CB 4.35Å; L75-L88 HydrophobicContact CB-CD1 4.48Å; L75-L88 HydrophobicContact CD2-CD1 4.35Å; L75-L88 PolarHBondContact N-O 2.87Å; L75-L88 PolarHBondContact O-N 2.87Å; L88-L90 HydrophobicContact CB-CD2 4.11Å; L88-L90 HydrophobicContact CB-CG 4.48Å; L88-L90 PolarHBondContact O-N 2.95Å; L88-F97 HydrophobicContact CB-CE1 4.42Å; L88-F97 HydrophobicContact CB-CE2 4.36Å; L88-F97 HydrophobicContact CB-CZ 4.03Å; L88-F97 HydrophobicContact CD2-CD1 3.41Å; L88-F97 VanDerWaalsContact CD2-CD1 3.41Å; L88-F97 HydrophobicContact CD2-CD2 4.15Å; L88-F97 HydrophobicContact CD2-CE1 3.4Å; L88-F97 HydrophobicContact CD2-CE2 4.13Å; L88-F97 HydrophobicContact CD2-CG 3.81Å; L88-F97 HydrophobicContact CD2-CZ 3.77Å; L88-F102 HydrophobicContact CD2-CD2 4.3Å; L88-F102 HydrophobicContact CD2-CE2 3.26Å; L88-F102 HydrophobicContact CD2-CZ 3.49Å; L88-F102 VanDerWaalsContact CD2-CZ 3.49Å; L88-F102 HydrophobicContact CG-CE2 4.11Å; L88-F102 HydrophobicContact CG-CZ 4.1Å; L88-W194 HydrophobicContact CD1-CD2 3.96Å; L88-W194 HydrophobicContact CD1-CE3 4.28Å; L88-W194 HydrophobicContact CD1-CG 4.09Å
89	D	95.8	Very high	92.5	Very high	93 Å²	93	67.6 Å²	67.6	50%	0.497	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	107.3	167.2	-178	-6.4	0	0	0	109.7	T91 F97	D89-T91 VanDerWaalsContact C-N 3.28Å; D89-T91 PolarHBondContact O-N 3.46Å; D89-T91 WeakPolarHBondContact OD1-CB 3.31Å; D89-T91 PolarHBondContact OD1-N 2.8Å; D89-T91 PolarHBondContact OD1-OG1 2.83Å; D89-F97 VanDerWaalsContact O-CZ 3.24Å; D89-F97 WeakPolarHBondContact O-CZ 3.25Å
90	L	96.8	Very high	92.2	Very high	9 Å²	9	71.7 Å²	71.7	5%	0.047	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.9	-174.5	-62.1	177.6	0	0	0	112.9	V72 T73 L75 L88 L94 F97 L190 W192	V72-L90 HydrophobicContact CB-CD1 4.39Å; V72-L90 HydrophobicContact CG1-CD1 3.64Å; T73-L90 PolarHBondContact O-N 3.31Å; L75-L90 HydrophobicContact CB-CD1 4.06Å; L88-L90 HydrophobicContact CB-CD2 4.11Å; L88-L90 HydrophobicContact CB-CG 4.48Å; L88-L90 PolarHBondContact O-N 2.95Å; L90-L94 HydrophobicContact CD2-CD2 4.14Å; L90-F97 HydrophobicContact CD2-CE2 4.06Å; L90-L190 HydrophobicContact CB-CD2 3.79Å; L90-L190 HydrophobicContact CD1-CD2 3.91Å; L90-L190 HydrophobicContact CD2-CD2 4.32Å; L90-L190 HydrophobicContact CG-CD2 4.21Å; L90-W192 HydrophobicContact CD1-CH2 3.99Å; L90-W192 HydrophobicContact CD1-CZ2 4.1Å; L90-W192 HydrophobicContact CD1-CZ3 4.36Å; L90-W192 HydrophobicContact CD2-CD2 3.92Å; L90-W192 HydrophobicContact CD2-CE3 4.43Å; L90-W192 HydrophobicContact CD2-CG 4.27Å; L90-W192 HydrophobicContact CD2-CZ2 4.02Å
91	T	94.9	Very high	92.1	Very high	90 Å²	90	68.4 Å²	68.4	55%	0.552	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-13.8	177.2	69.7	0	0	0	0	113.6	D89	D89-T91 VanDerWaalsContact C-N 3.28Å; D89-T91 PolarHBondContact O-N 3.46Å; D89-T91 WeakPolarHBondContact OD1-CB 3.31Å; D89-T91 PolarHBondContact OD1-N 2.8Å; D89-T91 PolarHBondContact OD1-OG1 2.83Å
92	G	92.4	Very high	91.9	Very high	44 Å²	44	66.5 Å²	66.5	45%	0.454	37%	0.374	S	S	.	.	S	Bend	trans	-102.9	-146.5	-174.6	0	0	0	0	0	114.9	L94	G92-L94 PolarHBondContact O-N 3.27Å
93	D	93.5	Very high	91.9	Very high	105 Å²	105	67.3 Å²	67.3	56%	0.561	38%	0.377	S	S	*	.			trans	-77.3	98.1	178.7	177	24.4	0	0	0	111.8	E95 S96	D93-E95 PolarHBondContact O-N 3.2Å; D93-E95 WeakPolarHBondContact OD1-CB 3.34Å; D93-E95 PolarHBondContact OD1-N 3.35Å; D93-E95 VanDerWaalsContact OD1-N 3.09Å; D93-S96 WeakPolarHBondContact O-CB 3.37Å; D93-S96 PolarHBondContact O-N 2.94Å; D93-S96 PolarHBondContact O-OG 2.82Å
94	L	95.1	Very high	92.1	Very high	36 Å²	36	62.6 Å²	62.6	19%	0.188	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-66.8	-23.5	179.3	-52.7	178.6	0	0	0	113.1	L90 G92 S96 F97 L190 W192	L90-L94 HydrophobicContact CD2-CD2 4.14Å; G92-L94 PolarHBondContact O-N 3.27Å; L94-S96 PolarHBondContact O-N 2.56Å; L94-F97 HydrophobicContact CB-CD2 4.48Å; L94-F97 HydrophobicContact CD2-CD2 4.34Å; L94-F97 HydrophobicContact CD2-CE2 3.86Å; L94-F97 WeakPolarHBondContact O-CB 3.46Å; L94-F97 PolarHBondContact O-N 2.91Å; L94-L190 HydrophobicContact CD1-CD1 3.69Å; L94-W192 HydrophobicContact CB-CB 4.25Å; L94-W192 HydrophobicContact CD1-CB 4.15Å
95	E	93.9	Very high	92.5	Very high	109 Å²	109	63.4 Å²	63.4	51%	0.509	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-70.5	-23.5	-179.5	-67.7	-64.3	125.8	0	0	111.9	D93 F97 K98	D93-E95 PolarHBondContact O-N 3.2Å; D93-E95 WeakPolarHBondContact OD1-CB 3.34Å; D93-E95 PolarHBondContact OD1-N 3.35Å; D93-E95 VanDerWaalsContact OD1-N 3.09Å; E95-F97 PolarHBondContact O-N 2.98Å; E95-K98 PolarHBondContact O-N 2.66Å; E95-K98 IonicContact OE1-NZ 2.74Å; E95-K98 PolarHBondContact OE1-NZ 2.82Å; E95-K98 WeakPolarHBondContact OE2-CD 3.25Å; E95-K98 WeakPolarHBondContact OE2-CE 3.35Å; E95-K98 IonicContact OE2-NZ 3.1Å; E95-K98 PolarHBondContact OE2-NZ 3.16Å
96	S	93.2	Very high	92.9	Very high	35 Å²	35	59.4 Å²	59.4	25%	0.245	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60.4	-31.4	174.8	73.4	0	0	0	0	112.4	D93 L94 K98 K99 Q100	D93-S96 WeakPolarHBondContact O-CB 3.37Å; D93-S96 PolarHBondContact O-N 2.94Å; D93-S96 PolarHBondContact O-OG 2.82Å; L94-S96 PolarHBondContact O-N 2.56Å; S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 PolarHBondContact O-N 2.84Å; S96-K99 PolarHBondContact O-N 2.87Å; S96-K99 VanDerWaalsContact O-N 3.11Å; S96-Q100 PolarHBondContact O-N 3.04Å
97	F	93.6	Very high	93.2	Very high	14 Å²	14	59.5 Å²	59.5	6%	0.061	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-67.8	-25.4	179.9	-59.9	-41.1	0	0	0	113.7	L88 D89 L90 L94 E95 K99 Q100 E193 W194 N195	L88-F97 HydrophobicContact CB-CE1 4.42Å; L88-F97 HydrophobicContact CB-CE2 4.36Å; L88-F97 HydrophobicContact CB-CZ 4.03Å; L88-F97 HydrophobicContact CD2-CD1 3.41Å; L88-F97 VanDerWaalsContact CD2-CD1 3.41Å; L88-F97 HydrophobicContact CD2-CD2 4.15Å; L88-F97 HydrophobicContact CD2-CE1 3.4Å; L88-F97 HydrophobicContact CD2-CE2 4.13Å; L88-F97 HydrophobicContact CD2-CG 3.81Å; L88-F97 HydrophobicContact CD2-CZ 3.77Å; D89-F97 VanDerWaalsContact O-CZ 3.24Å; D89-F97 WeakPolarHBondContact O-CZ 3.25Å; L90-F97 HydrophobicContact CD2-CE2 4.06Å; L94-F97 HydrophobicContact CB-CD2 4.48Å; L94-F97 HydrophobicContact CD2-CD2 4.34Å; L94-F97 HydrophobicContact CD2-CE2 3.86Å; L94-F97 WeakPolarHBondContact O-CB 3.46Å; L94-F97 PolarHBondContact O-N 2.91Å; E95-F97 PolarHBondContact O-N 2.98Å; F97-K99 PolarHBondContact O-N 3.49Å; F97-Q100 PolarHBondContact O-N 3.25Å; F97-E193 WeakPolarHBondContact CB-O 3.22Å; F97-W194 HydrophobicContact CB-CB 3.9Å; F97-N195 PolarHBondContact O-ND2 2.79Å
98	K	91.8	Very high	93.3	Very high	81 Å²	81	55.8 Å²	55.8	35%	0.352	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66	-20.9	174.3	-65.6	178.5	-177.2	164.1	0	112.9	E95 S96 E193 N195	E95-K98 PolarHBondContact O-N 2.66Å; E95-K98 IonicContact OE1-NZ 2.74Å; E95-K98 PolarHBondContact OE1-NZ 2.82Å; E95-K98 WeakPolarHBondContact OE2-CD 3.25Å; E95-K98 WeakPolarHBondContact OE2-CE 3.35Å; E95-K98 IonicContact OE2-NZ 3.1Å; E95-K98 PolarHBondContact OE2-NZ 3.16Å; S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 PolarHBondContact O-N 2.84Å; K98-E193 HydrophobicContact CG-CB 4.14Å; K98-N195 VanDerWaalsContact C-ND2 3.31Å; K98-N195 PolarHBondContact O-ND2 3.41Å
99	K	90.4	Very high	93.4	Very high	193 Å²	193	61.1 Å²	61.1	84%	0.839	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-15.3	178.8	-62.5	176.4	-176	169	0	113	S96 F97	S96-K99 PolarHBondContact O-N 2.87Å; S96-K99 VanDerWaalsContact O-N 3.11Å; F97-K99 PolarHBondContact O-N 3.49Å
100	Q	87.2	Confident	93.4	Very high	101 Å²	101	58.1 Å²	58.1	47%	0.472	31%	0.309	S	S	.	.			trans	-98	148.8	178.9	-64.7	179.8	-0.2	0	0	109.8	S96 F97 N195	S96-Q100 PolarHBondContact O-N 3.04Å; F97-Q100 PolarHBondContact O-N 3.25Å; Q100-N195 WeakPolarHBondContact O-CB 3.38Å; Q100-N195 PolarHBondContact O-ND2 3.11Å
101	S	88.6	Confident	93.3	Very high	53 Å²	53	62.2 Å²	62.2	37%	0.371	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.4	171.7	-165.1	0	0	0	0	109.5	N195 T197	S101-N195 WeakPolarHBondContact CA-O 3.42Å; S101-T197 PolarHBondContact OG-N 2.72Å; S101-T197 PolarHBondContact OG-OG1 2.85Å
102	F	89.3	Confident	93.3	Very high	35 Å²	35	58.1 Å²	58.1	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.6	173.3	-73.2	-94.3	0	0	0	109	L86 L88 W194 N195 L196 T197	L86-F102 HydrophobicContact CB-CD1 4.08Å; L86-F102 HydrophobicContact CB-CE1 4.4Å; L86-F102 HydrophobicContact CD2-CD1 3.8Å; L86-F102 HydrophobicContact CD2-CE1 4.48Å; L88-F102 HydrophobicContact CD2-CD2 4.3Å; L88-F102 HydrophobicContact CD2-CE2 3.26Å; L88-F102 HydrophobicContact CD2-CZ 3.49Å; L88-F102 VanDerWaalsContact CD2-CZ 3.49Å; L88-F102 HydrophobicContact CG-CE2 4.11Å; L88-F102 HydrophobicContact CG-CZ 4.1Å; F102-W194 HydrophobicContact CD2-CE3 4.02Å; F102-W194 HydrophobicContact CD2-CZ3 4.37Å; F102-N195 PolarHBondContact N-O 3.37Å; F102-L196 HydrophobicContact CB-CD1 4.09Å; F102-L196 CarbonylContact O-C 3.59Å; F102-L196 WeakPolarHBondContact O-CA 3.44Å; F102-T197 PolarHBondContact O-N 3.48Å
103	V	92.6	Very high	93.5	Very high	39 Å²	39	57.9 Å²	57.9	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.3	174.5	177.2	0	0	0	0	108.6	T197 K199 W202	V103-T197 WeakPolarHBondContact CA-O 3.4Å; V103-K199 HydrophobicContact CG1-CB 4.15Å; V103-K199 HydrophobicContact CG1-CD 3.93Å; V103-K199 HydrophobicContact CG1-CG 3.99Å; V103-W202 WeakPolarHBondContact O-CZ3 3.46Å
104	L	94.3	Very high	93.7	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.7	172.4	-175.6	59.9	0	0	0	108.9	L77 V108 Y110 A165 L196 T197 I198 K199 W202	L77-L104 HydrophobicContact CD2-CD1 3.75Å; L104-V108 HydrophobicContact CD1-CG2 3.6Å; L104-V108 HydrophobicContact CG-CG2 4.24Å; L104-Y110 HydrophobicContact CD2-CD1 4.08Å; L104-Y110 HydrophobicContact CD2-CE1 4.06Å; L104-A165 HydrophobicContact CD2-CB 3.71Å; L104-A165 HydrophobicContact CG-CB 4Å; L104-L196 HydrophobicContact CB-CD1 3.79Å; L104-L196 HydrophobicContact CB-CG 4.46Å; L104-L196 HydrophobicContact CD2-CD1 4.37Å; L104-L196 HydrophobicContact CD2-CD2 4.26Å; L104-T197 PolarHBondContact N-O 2.96Å; L104-I198 VanDerWaalsContact O-CA 3.31Å; L104-I198 WeakPolarHBondContact O-CA 3.48Å; L104-K199 PolarHBondContact O-N 3.24Å; L104-W202 HydrophobicContact CD1-CH2 3.55Å; L104-W202 HydrophobicContact CD1-CZ2 4.49Å; L104-W202 HydrophobicContact CD1-CZ3 3.98Å
105	K	95.4	Very high	93.8	Very high	53 Å²	53	51.1 Å²	51.1	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.6	173.9	177.4	173.9	178.2	163.3	0	109.7	V108 K199 K200 E201 W202	K105-V108 HydrophobicContact CB-CG1 3.68Å; K105-V108 HydrophobicContact CD-CG1 3.93Å; K105-V108 HydrophobicContact CG-CG1 3.73Å; K105-V108 WeakPolarHBondContact O-CG2 2.79Å; K105-K199 CarbonylContact C-O 3.59Å; K105-K199 WeakPolarHBondContact CA-O 3.14Å; K105-K200 WeakPolarHBondContact CE-O 3.36Å; K105-K200 WeakPolarHBondContact CG-O 3.39Å; K105-E201 WeakPolarHBondContact CE-OE2 3.45Å; K105-E201 IonicContact NZ-OE1 3.76Å; K105-E201 PolarHBondContact NZ-OE1 3.36Å; K105-E201 VanDerWaalsContact NZ-OE1 3.1Å; K105-E201 IonicContact NZ-OE2 2.77Å; K105-E201 PolarHBondContact NZ-OE2 3.36Å; K105-W202 HydrophobicContact CB-CD2 3.62Å; K105-W202 HydrophobicContact CB-CE3 4.2Å; K105-W202 HydrophobicContact CB-CG 3.98Å; K105-W202 HydrophobicContact CB-CH2 4.38Å; K105-W202 HydrophobicContact CB-CZ2 3.79Å; K105-W202 HydrophobicContact CD-CG 4.49Å
106	E	95.8	Very high	94	Very high	29 Å²	29	46 Å²	46	14%	0.136	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	144.2	177.4	76.2	177.4	168.4	0	0	112	V108 P166 K167 G168 R172 I198 K199	E106-V108 PolarHBondContact O-N 2.63Å; E106-P166 WeakPolarHBondContact CB-O 3.29Å; E106-K167 HydrophobicContact CB-CB 4.41Å; E106-K167 HydrophobicContact CG-CB 4.49Å; E106-G168 PolarHBondContact OE2-N 2.94Å; E106-R172 IonicContact OE1-CZ 2.78Å; E106-R172 VanDerWaalsContact OE1-CZ 3.25Å; E106-R172 IonicContact OE1-NE 3.51Å; E106-R172 PolarHBondContact OE1-NE 3.46Å; E106-R172 VanDerWaalsContact OE1-NE 3.07Å; E106-R172 IonicContact OE1-NH2 2.87Å; E106-R172 PolarHBondContact OE1-NH2 2.8Å; E106-R172 WeakPolarHBondContact OE2-CG 3.23Å; E106-R172 IonicContact OE2-CZ 3.92Å; E106-R172 IonicContact OE2-NE 2.75Å; E106-R172 PolarHBondContact OE2-NE 3.07Å; E106-R172 IonicContact OE2-NH2 2.63Å; E106-R172 PolarHBondContact OE2-NH2 2.95Å; E106-I198 HydrophobicContact CB-CG2 3.76Å; E106-K199 PolarHBondContact N-O 3.28Å
107	G	95.2	Very high	94.2	Very high	31 Å²	31	49.1 Å²	49.1	32%	0.32	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	9.3	175.8	0	0	0	0	0	115.8	A165	G107-A165 WeakPolarHBondContact CA-O 3.46Å; G107-A165 PolarHBondContact N-O 2.87Å
108	V	95.9	Very high	94.2	Very high	14 Å²	14	48.4 Å²	48.4	9%	0.085	23%	0.228	C	C	.	.			trans	-84.4	147.2	173.9	-56.6	0	0	0	0	110.9	L104 K105 E106 A165 W202	L104-V108 HydrophobicContact CD1-CG2 3.6Å; L104-V108 HydrophobicContact CG-CG2 4.24Å; K105-V108 HydrophobicContact CB-CG1 3.68Å; K105-V108 HydrophobicContact CD-CG1 3.93Å; K105-V108 HydrophobicContact CG-CG1 3.73Å; K105-V108 WeakPolarHBondContact O-CG2 2.79Å; E106-V108 PolarHBondContact O-N 2.63Å; V108-A165 HydrophobicContact CG2-CB 4.26Å; V108-A165 PolarHBondContact O-N 3.2Å; V108-W202 HydrophobicContact CB-CZ2 4.47Å; V108-W202 HydrophobicContact CG1-CZ2 4.13Å; V108-W202 HydrophobicContact CG2-CH2 4.23Å; V108-W202 HydrophobicContact CG2-CZ2 4.01Å
109	E	96.2	Very high	94.3	Very high	116 Å²	116	45.1 Å²	45.1	54%	0.542	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.4	170.3	-63.1	-176	138.9	0	0	110.7	C79 M162 E163	C79-E109 PolarHBondContact SG-O 2.96Å; E109-M162 HydrophobicContact CB-CG 4.03Å; E109-M162 HydrophobicContact CB-SD 3.91Å; E109-M162 HydrophobicContact CG-CG 4.41Å; E109-E163 CarbonylContact C-O 3.57Å; E109-E163 WeakPolarHBondContact CA-O 3.42Å
110	Y	94.7	Very high	94.3	Very high	30 Å²	30	39.9 Å²	39.9	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.1	175.7	69.5	-87.4	0	0	0	111.8	L77 V78 L104 I112 E163 A165	L77-Y110 HydrophobicContact CD1-CD2 3.63Å; L77-Y110 HydrophobicContact CD1-CE2 4.13Å; L77-Y110 HydrophobicContact CD1-CG 4.12Å; L77-Y110 HydrophobicContact CD2-CG 4.42Å; L77-Y110 HydrophobicContact CG-CD2 4.07Å; L77-Y110 HydrophobicContact CG-CG 4.31Å; V78-Y110 CarbonylContact O-C 3.58Å; V78-Y110 WeakPolarHBondContact O-CA 3.37Å; L104-Y110 HydrophobicContact CD2-CD1 4.08Å; L104-Y110 HydrophobicContact CD2-CE1 4.06Å; Y110-I112 HydrophobicContact CD2-CG1 4.47Å; Y110-I112 HydrophobicContact CE2-CG1 4.31Å; Y110-E163 HydrophobicContact CE1-CB 4.07Å; Y110-E163 HydrophobicContact CE2-CB 4.16Å; Y110-E163 WeakPolarHBondContact CE2-OE2 3.31Å; Y110-E163 PolarHBondContact N-O 3.11Å; Y110-E163 PolarHBondContact O-N 2.71Å; Y110-E163 PolarHBondContact OH-OE2 2.92Å; Y110-A165 HydrophobicContact CD1-CB 4.29Å; Y110-A165 HydrophobicContact CE1-CB 4.1Å
111	R	95.3	Very high	94.5	Very high	96 Å²	96	38 Å²	38	36%	0.362	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.4	165.5	-64.8	-177.1	-176.5	-162.6	0.5	109.5	V78 L159 T160 M162	V78-R111 HydrophobicContact CB-CB 4.41Å; V78-R111 PolarHBondContact N-O 3.42Å; V78-R111 PolarHBondContact O-N 2.49Å; R111-L159 HydrophobicContact CB-CD2 4.42Å; R111-T160 WeakPolarHBondContact CD-O 3.49Å; R111-M162 HydrophobicContact CG-CB 4.46Å; R111-M162 HydrophobicContact CG-SD 3.7Å
112	I	94.8	Very high	94.8	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.9	169.3	-59.2	174.3	0	0	0	107.6	L75 Y110 I114 Y128 Y144 L159 T160	L75-I112 HydrophobicContact CD1-CG2 3.8Å; L75-I112 HydrophobicContact CD2-CG2 3.73Å; L75-I112 HydrophobicContact CG-CG2 3.57Å; Y110-I112 HydrophobicContact CD2-CG1 4.47Å; Y110-I112 HydrophobicContact CE2-CG1 4.31Å; I112-I114 HydrophobicContact CG2-CG1 4.01Å; I112-Y128 HydrophobicContact CD1-CE1 4.09Å; I112-Y144 HydrophobicContact CD1-CE2 4.37Å; I112-L159 WeakPolarHBondContact O-CA 3.24Å; I112-T160 HydrophobicContact CB-CG2 3.8Å; I112-T160 PolarHBondContact N-OG1 3.1Å; I112-T160 PolarHBondContact O-N 2.92Å
113	K	97.2	Very high	95.1	Very high	39 Å²	39	36.5 Å²	36.5	17%	0.17	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.2	168.1	-168.5	-179.5	67.9	155.1	0	108.9	L75 T76 V78 E157 F158 L159	L75-K113 WeakPolarHBondContact CA-O 3.27Å; T76-K113 PolarHBondContact N-O 3.26Å; T76-K113 PolarHBondContact O-N 2.82Å; V78-K113 HydrophobicContact CG2-CB 3.8Å; K113-E157 IonicContact NZ-OE1 3.07Å; K113-E157 PolarHBondContact NZ-OE1 2.98Å; K113-E157 IonicContact NZ-OE2 3.46Å; K113-F158 CarbonylContact C-O 3.55Å; K113-F158 WeakPolarHBondContact CA-O 3.21Å; K113-L159 HydrophobicContact CB-CD2 3.56Å; K113-L159 HydrophobicContact CD-CD2 4.34Å; K113-L159 HydrophobicContact CG-CD2 3.78Å; K113-L159 HydrophobicContact CG-CG 4.38Å
114	I	97.4	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.9	177.1	-60.3	167.2	0	0	0	107	V72 I112 F116 Y128 V146 E157 F158 F181	V72-I114 HydrophobicContact CG1-CG2 4.3Å; I112-I114 HydrophobicContact CG2-CG1 4.01Å; I114-F116 HydrophobicContact CG2-CD1 4.03Å; I114-Y128 HydrophobicContact CD1-CD1 4.16Å; I114-Y128 HydrophobicContact CD1-CG 4.14Å; I114-V146 HydrophobicContact CD1-CG2 4.06Å; I114-E157 WeakPolarHBondContact O-CA 3.42Å; I114-F158 HydrophobicContact CD1-CD1 4.08Å; I114-F158 PolarHBondContact N-O 3.38Å; I114-F158 PolarHBondContact O-N 3.36Å; I114-F181 HydrophobicContact CB-CZ 4.34Å; I114-F181 HydrophobicContact CD1-CE1 3.92Å; I114-F181 HydrophobicContact CD1-CZ 3.85Å; I114-F181 HydrophobicContact CG1-CE1 4.48Å; I114-F181 HydrophobicContact CG1-CZ 4.02Å; I114-F181 HydrophobicContact CG2-CE1 3.68Å; I114-F181 HydrophobicContact CG2-CE2 4.44Å; I114-F181 HydrophobicContact CG2-CZ 3.4Å
115	S	98.1	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.9	173.8	-35.8	0	0	0	0	110.7	T73 R74 E155 Y156	T73-S115 PolarHBondContact N-O 3.22Å; R74-S115 PolarHBondContact N-O 3.2Å; R74-S115 PolarHBondContact O-N 3.33Å; S115-E155 WeakPolarHBondContact CA-OE1 3.33Å; S115-E155 WeakPolarHBondContact CB-OE1 3.24Å; S115-Y156 VanDerWaalsContact CA-O 3.27Å; S115-Y156 WeakPolarHBondContact CA-O 3.39Å
116	F	98	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	155.6	-169.9	66.6	-80.5	0	0	0	112.7	I71 V72 I114 V118 M126 V146 Y149 E155 Y156 F158	I71-F116 CarbonylContact O-C 3.58Å; I71-F116 VanDerWaalsContact O-CA 3.29Å; I71-F116 WeakPolarHBondContact O-CA 3.5Å; V72-F116 HydrophobicContact CB-CB 4.47Å; V72-F116 HydrophobicContact CG1-CB 4.45Å; V72-F116 HydrophobicContact CG2-CB 4.27Å; I114-F116 HydrophobicContact CG2-CD1 4.03Å; F116-V118 HydrophobicContact CD2-CG2 4.08Å; F116-V118 HydrophobicContact CE2-CG2 3.96Å; F116-M126 HydrophobicContact CD1-CE 3.84Å; F116-M126 HydrophobicContact CD2-CE 3.65Å; F116-M126 HydrophobicContact CD2-SD 4.1Å; F116-M126 HydrophobicContact CE1-CE 3.68Å; F116-M126 HydrophobicContact CE2-CE 3.48Å; F116-M126 VanDerWaalsContact CE2-CE 3.48Å; F116-M126 HydrophobicContact CE2-SD 4.2Å; F116-M126 HydrophobicContact CG-CE 3.82Å; F116-M126 HydrophobicContact CZ-CE 3.49Å; F116-M126 VanDerWaalsContact CZ-CE 3.49Å; F116-V146 HydrophobicContact CE1-CG1 3.87Å; F116-V146 HydrophobicContact CZ-CG1 3.99Å; F116-Y149 HydrophobicContact CE2-CD1 4.45Å; F116-Y149 AromaticContact CE2-CD2 3.95Å; F116-Y149 HydrophobicContact CE2-CD2 3.95Å; F116-Y149 HydrophobicContact CE2-CE2 4.44Å; F116-Y149 AromaticContact CE2-CG 3.98Å; F116-Y149 HydrophobicContact CE2-CG 3.98Å; F116-Y149 HydrophobicContact CZ-CD1 4.08Å; F116-Y149 AromaticContact CZ-CD2 3.73Å; F116-Y149 HydrophobicContact CZ-CD2 3.73Å; F116-Y149 HydrophobicContact CZ-CE1 4.08Å; F116-Y149 AromaticContact CZ-CE2 3.77Å; F116-Y149 HydrophobicContact CZ-CE2 3.77Å; F116-Y149 AromaticContact CZ-CG 3.91Å; F116-Y149 HydrophobicContact CZ-CG 3.91Å; F116-Y149 AromaticContact CZ-CZ 3.94Å; F116-E155 PolarHBondContact N-OE1 3.05Å; F116-E155 VanDerWaalsContact N-OE1 3.08Å; F116-E155 WeakPolarHBondContact O-CG 3.2Å; F116-Y156 HydrophobicContact CD2-CD2 4.38Å; F116-Y156 AromaticContact CE2-CD2 3.89Å; F116-Y156 HydrophobicContact CE2-CD2 3.89Å; F116-Y156 HydrophobicContact CE2-CG 4.04Å; F116-Y156 HydrophobicContact CZ-CD2 4.3Å; F116-Y156 AromaticContact CZ-CG 3.96Å; F116-Y156 HydrophobicContact CZ-CG 3.96Å; F116-Y156 PolarHBondContact N-O 3.35Å; F116-Y156 PolarHBondContact O-N 3.17Å; F116-F158 HydrophobicContact CE1-CB 4.32Å
117	R	95.6	Very high	95.6	Very high	101 Å²	101	34.7 Å²	34.7	38%	0.381	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.5	178.4	-64.4	179	68.9	-176.7	0.7	110.6	V70 I71 T73 A153 E155	V70-R117 WeakPolarHBondContact CA-O 3.34Å; I71-R117 PolarHBondContact N-O 2.93Å; I71-R117 PolarHBondContact O-N 3.37Å; T73-R117 HydrophobicContact CG2-CG 4.32Å; R117-A153 PolarHBondContact NH2-O 3.13Å; R117-E155 HydrophobicContact CG-CB 3.98Å; R117-E155 HydrophobicContact CG-CG 4.25Å
118	V	94.9	Very high	95.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.3	172.3	-175.6	0	0	0	0	107.8	N69 F116 E121 V123 P151 R152 Y156	N69-V118 CarbonylContact O-C 3.6Å; N69-V118 WeakPolarHBondContact O-CA 3.29Å; F116-V118 HydrophobicContact CD2-CG2 4.08Å; F116-V118 HydrophobicContact CE2-CG2 3.96Å; V118-E121 WeakPolarHBondContact CG1-O 3.35Å; V118-V123 HydrophobicContact CG2-CG1 3.93Å; V118-P151 HydrophobicContact CG1-CB 4.26Å; V118-P151 VanDerWaalsContact O-CA 3.23Å; V118-P151 WeakPolarHBondContact O-CA 3.43Å; V118-R152 PolarHBondContact O-N 2.89Å; V118-R152 VanDerWaalsContact O-N 3.14Å; V118-Y156 HydrophobicContact CB-CE2 4.25Å; V118-Y156 HydrophobicContact CG2-CD2 4.19Å; V118-Y156 HydrophobicContact CG2-CE2 4.06Å
119	N	92.8	Very high	95.8	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.064	15%	0.147	C	C	.	.			trans	-104.7	-39.3	-163.1	-67.6	-53.9	0	0	0	114.5	S62 V67 P68 N69	S62-N119 PolarHBondContact N-O 3.27Å; S62-N119 VanDerWaalsContact N-O 3.16Å; V67-N119 HydrophobicContact CG1-CB 4.39Å; V67-N119 WeakPolarHBondContact CG1-ND2 3.45Å; P68-N119 PolarHBondContact O-ND2 3.4Å; N69-N119 PolarHBondContact O-N 2.76Å
120	R	90.6	Very high	95.8	Very high	82 Å²	82	28.5 Å²	28.5	31%	0.309	12%	0.124	S	C	.	.	S	Bend	trans	-127.5	-52.3	-167.3	-64.5	-171.4	-68.1	103.2	-2.9	114.3	V61 V67 N69	V61-R120 HydrophobicContact CG1-CB 4.25Å; V61-R120 HydrophobicContact CG1-CG 4.19Å; V67-R120 PolarHBondContact O-NE 2.86Å; N69-R120 WeakPolarHBondContact OD1-CA 3.3Å; N69-R120 PolarHBondContact OD1-N 2.82Å
121	E	92.4	Very high	95.9	Very high	61 Å²	61	29.5 Å²	29.5	29%	0.285	13%	0.13	S	C	.	.	S	Bend	trans	-126.8	163.2	-172.2	-69	-61.6	157.7	0	0	110.9	S34 I35 N69 V118 V123	S34-E121 WeakPolarHBondContact CA-OE2 3.33Å; I35-E121 PolarHBondContact N-OE2 3.3Å; N69-E121 PolarHBondContact ND2-O 2.87Å; N69-E121 PolarHBondContact OD1-N 2.87Å; N69-E121 PolarHBondContact OD1-O 2.88Å; V118-E121 WeakPolarHBondContact CG1-O 3.35Å; E121-V123 PolarHBondContact O-N 3.04Å
122	I	94	Very high	96	Very high	57 Å²	57	25.6 Å²	25.6	29%	0.292	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-61.4	131.9	173.8	-60.9	170	0	0	0	108.9	I35 I38 L56 Y149	I35-I122 HydrophobicContact CD1-CG1 4.14Å; I35-I122 HydrophobicContact CG1-CD1 4.21Å; I35-I122 HydrophobicContact CG1-CG1 3.87Å; I38-I122 HydrophobicContact CD1-CD1 3.57Å; L56-I122 HydrophobicContact CD2-CD1 3.9Å; L56-I122 HydrophobicContact CD2-CG1 3.94Å; I122-Y149 WeakPolarHBondContact CA-O 3.35Å
123	V	96.1	Very high	96	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.3	162.7	62.6	0	0	0	0	108.1	V70 V118 E121 M126 S148 Y149 D183	V70-V123 HydrophobicContact CG2-CB 3.92Å; V70-V123 HydrophobicContact CG2-CG1 4.4Å; V70-V123 HydrophobicContact CG2-CG2 3.92Å; V118-V123 HydrophobicContact CG2-CG1 3.93Å; E121-V123 PolarHBondContact O-N 3.04Å; V123-M126 HydrophobicContact CG1-CB 4.31Å; V123-M126 HydrophobicContact CG2-CB 3.77Å; V123-M126 HydrophobicContact CG2-CG 4.16Å; V123-M126 HydrophobicContact CG2-SD 4.46Å; V123-S148 CarbonylContact O-C 3.47Å; V123-S148 WeakPolarHBondContact O-CA 3.44Å; V123-S148 WeakPolarHBondContact O-CB 3.27Å; V123-Y149 HydrophobicContact CG1-CD2 4.39Å; V123-Y149 PolarHBondContact N-O 2.87Å; V123-Y149 PolarHBondContact O-N 2.99Å; V123-D183 HydrophobicContact CG2-CB 3.97Å
124	S	96.7	Very high	95.9	Very high	18 Å²	18	26.7 Å²	26.7	13%	0.126	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.9	178.8	-172.6	0	0	0	0	111.2	P30 M126 D183 D184	P30-S124 WeakPolarHBondContact CG-OG 3.48Å; S124-M126 VanDerWaalsContact C-N 3.33Å; S124-M126 PolarHBondContact O-N 2.75Å; S124-D183 WeakPolarHBondContact O-CB 3.31Å; S124-D184 VanDerWaalsContact C-OD2 3.3Å; S124-D184 WeakPolarHBondContact O-CB 3.47Å; S124-D184 PolarHBondContact O-N 2.75Å; S124-D184 PolarHBondContact OG-OD2 2.88Å
125	G	96.8	Very high	95.6	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.1	40.7	172.3	0	0	0	0	0	113.2	K127 S148 D184	G125-K127 PolarHBondContact O-N 3.1Å; G125-S148 PolarHBondContact N-OG 2.83Å; G125-D184 WeakPolarHBondContact CA-OD2 3.36Å; G125-D184 PolarHBondContact N-OD2 3.12Å
126	M	98.1	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	133	175.4	-165.5	178.2	71.7	0	0	109.3	V70 F116 V123 S124 V146 G147 T182	V70-M126 HydrophobicContact CG1-SD 3.9Å; F116-M126 HydrophobicContact CD1-CE 3.84Å; F116-M126 HydrophobicContact CD2-CE 3.65Å; F116-M126 HydrophobicContact CD2-SD 4.1Å; F116-M126 HydrophobicContact CE1-CE 3.68Å; F116-M126 HydrophobicContact CE2-CE 3.48Å; F116-M126 VanDerWaalsContact CE2-CE 3.48Å; F116-M126 HydrophobicContact CE2-SD 4.2Å; F116-M126 HydrophobicContact CG-CE 3.82Å; F116-M126 HydrophobicContact CZ-CE 3.49Å; F116-M126 VanDerWaalsContact CZ-CE 3.49Å; V123-M126 HydrophobicContact CG1-CB 4.31Å; V123-M126 HydrophobicContact CG2-CB 3.77Å; V123-M126 HydrophobicContact CG2-CG 4.16Å; V123-M126 HydrophobicContact CG2-SD 4.46Å; S124-M126 VanDerWaalsContact C-N 3.33Å; S124-M126 PolarHBondContact O-N 2.75Å; M126-V146 HydrophobicContact CB-CB 4.41Å; M126-V146 HydrophobicContact CE-CB 3.71Å; M126-V146 HydrophobicContact CE-CG1 3.35Å; M126-V146 HydrophobicContact CE-CG2 4.08Å; M126-V146 WeakPolarHBondContact O-CA 3.49Å; M126-V146 VanDerWaalsContact O-CB 3.31Å; M126-V146 WeakPolarHBondContact O-CB 3.18Å; M126-V146 PolarHBondContact O-N 2.96Å; M126-G147 WeakPolarHBondContact CB-O 3.17Å; M126-G147 PolarHBondContact N-O 3.48Å; M126-G147 PolarHBondContact O-N 3.4Å; M126-T182 CarbonylContact C-O 3.58Å; M126-T182 WeakPolarHBondContact CA-O 3.16Å
127	K	97.3	Very high	95.1	Very high	63 Å²	63	38 Å²	38	27%	0.274	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.8	178	61.7	176.4	175.6	170.6	0	111.9	G125 I129 Y144 F181 T182	G125-K127 PolarHBondContact O-N 3.1Å; K127-I129 HydrophobicContact CD-CD1 4.37Å; K127-I129 HydrophobicContact CD-CG1 4.29Å; K127-I129 HydrophobicContact CG-CG1 4.34Å; K127-Y144 CarbonylContact C-O 3.55Å; K127-Y144 VanDerWaalsContact CA-O 3.25Å; K127-Y144 WeakPolarHBondContact CA-O 3.43Å; K127-Y144 WeakPolarHBondContact CB-O 3.21Å; K127-F181 WeakPolarHBondContact O-CA 3.46Å; K127-T182 HydrophobicContact CD-CG2 4.25Å; K127-T182 HydrophobicContact CG-CG2 3.79Å; K127-T182 PolarHBondContact N-O 2.73Å; K127-T182 PolarHBondContact O-N 3.16Å
128	Y	97.9	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.2	169.8	174.7	-131	0	0	0	108.8	L75 I112 I114 Q130 D143 Y144 S179 F181 W192	L75-Y128 HydrophobicContact CD1-CE1 4.33Å; L75-Y128 HydrophobicContact CD1-CE2 4.4Å; I112-Y128 HydrophobicContact CD1-CE1 4.09Å; I114-Y128 HydrophobicContact CD1-CD1 4.16Å; I114-Y128 HydrophobicContact CD1-CG 4.14Å; Y128-Q130 HydrophobicContact CE1-CB 4.1Å; Y128-Q130 PolarHBondContact OH-OE1 2.87Å; Y128-Q130 VanDerWaalsContact OH-OE1 3.1Å; Y128-D143 WeakPolarHBondContact O-CA 3.34Å; Y128-Y144 AromaticContact CD1-CD2 3.46Å; Y128-Y144 HydrophobicContact CD1-CD2 3.46Å; Y128-Y144 VanDerWaalsContact CD1-CD2 3.46Å; Y128-Y144 AromaticContact CD1-CE2 3.97Å; Y128-Y144 HydrophobicContact CD1-CE2 3.97Å; Y128-Y144 HydrophobicContact CD1-CG 4.44Å; Y128-Y144 HydrophobicContact CE1-CD2 4.06Å; Y128-Y144 HydrophobicContact CE1-CE2 4.1Å; Y128-Y144 HydrophobicContact CG-CD2 4.39Å; Y128-Y144 PolarHBondContact N-O 2.64Å; Y128-Y144 PolarHBondContact O-N 2.95Å; Y128-S179 PolarHBondContact OH-OG 2.93Å; Y128-F181 HydrophobicContact CD2-CD2 4.4Å; Y128-F181 HydrophobicContact CD2-CE1 4.11Å; Y128-F181 AromaticContact CD2-CE2 3.95Å; Y128-F181 HydrophobicContact CD2-CE2 3.95Å; Y128-F181 AromaticContact CD2-CZ 3.77Å; Y128-F181 HydrophobicContact CD2-CZ 3.77Å; Y128-F181 HydrophobicContact CE2-CE2 4.49Å; Y128-F181 HydrophobicContact CG-CE1 4.13Å; Y128-F181 HydrophobicContact CG-CZ 4.03Å; Y128-W192 HydrophobicContact CD2-CH2 4.34Å; Y128-W192 AromaticContact CE2-CH2 3.7Å; Y128-W192 HydrophobicContact CE2-CH2 3.7Å; Y128-W192 HydrophobicContact CE2-CZ2 4.31Å; Y128-W192 HydrophobicContact CE2-CZ3 4.42Å
129	I	97	Very high	95.1	Very high	18 Å²	18	37.6 Å²	37.6	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.5	176.3	-53.6	-178.3	0	0	0	108.1	K127 D143 S179 R180 T182	K127-I129 HydrophobicContact CD-CD1 4.37Å; K127-I129 HydrophobicContact CD-CG1 4.29Å; K127-I129 HydrophobicContact CG-CG1 4.34Å; I129-D143 VanDerWaalsContact CG1-OD1 3.31Å; I129-D143 WeakPolarHBondContact CG1-OD1 3.41Å; I129-D143 VanDerWaalsContact CG2-OD1 3.3Å; I129-D143 WeakPolarHBondContact CG2-OD1 3.41Å; I129-S179 WeakPolarHBondContact O-CA 3.3Å; I129-R180 HydrophobicContact CB-CG 3.72Å; I129-R180 HydrophobicContact CD1-CG 4.31Å; I129-R180 HydrophobicContact CG1-CG 4.31Å; I129-R180 HydrophobicContact CG2-CG 4.36Å; I129-R180 PolarHBondContact N-O 2.82Å; I129-R180 PolarHBondContact O-N 3.19Å; I129-T182 HydrophobicContact CD1-CG2 3.73Å; I129-T182 HydrophobicContact CG1-CG2 4.34Å
130	Q	96.2	Very high	95.2	Very high	13 Å²	13	39.3 Å²	39.3	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.1	177.2	-171.5	177.1	-97.5	0	0	109.7	Y128 K141 T142 I177	Y128-Q130 HydrophobicContact CE1-CB 4.1Å; Y128-Q130 PolarHBondContact OH-OE1 2.87Å; Y128-Q130 VanDerWaalsContact OH-OE1 3.1Å; Q130-K141 CarbonylContact O-C 3.58Å; Q130-K141 WeakPolarHBondContact O-CA 3.46Å; Q130-T142 PolarHBondContact N-O 3.05Å; Q130-T142 PolarHBondContact O-N 3.27Å; Q130-I177 HydrophobicContact CG-CG2 3.44Å; Q130-I177 VanDerWaalsContact CG-CG2 3.44Å
131	H	97.2	Very high	95.3	Very high	50 Å²	50	38.4 Å²	38.4	23%	0.231	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	167.2	-65.6	161.1	0	0	0	109.4	Y133 I177 K178	H131-Y133 HydrophobicContact CB-CD2 4.31Å; H131-Y133 HydrophobicContact CB-CE2 3.5Å; H131-I177 WeakPolarHBondContact O-CA 3.46Å; H131-K178 HydrophobicContact CB-CB 4.38Å; H131-K178 PolarHBondContact N-O 3.36Å; H131-K178 PolarHBondContact O-N 3.09Å
132	T	96.6	Very high	95.4	Very high	14 Å²	14	37 Å²	37	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.9	-178.4	-55.6	0	0	0	0	109.5	I139 D140 Y175 I177	T132-I139 HydrophobicContact CG2-CD1 4.23Å; T132-I139 HydrophobicContact CG2-CG1 4.25Å; T132-I139 VanDerWaalsContact O-CG1 3.29Å; T132-I139 WeakPolarHBondContact O-CG1 3.36Å; T132-I139 PolarHBondContact O-N 3.21Å; T132-D140 PolarHBondContact N-O 3.44Å; T132-D140 PolarHBondContact O-N 3.37Å; T132-Y175 HydrophobicContact CG2-CD1 3.71Å; T132-Y175 HydrophobicContact CG2-CG 4.35Å; T132-I177 HydrophobicContact CG2-CG1 4.49Å
133	Y	96.3	Very high	95.4	Very high	50 Å²	50	37.6 Å²	37.6	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.7	-178.8	-63.9	-101.5	0	0	0	111.1	H131 V137 K138 Y175 N176 K178	H131-Y133 HydrophobicContact CB-CD2 4.31Å; H131-Y133 HydrophobicContact CB-CE2 3.5Å; Y133-V137 CarbonylContact C-O 3.51Å; Y133-V137 WeakPolarHBondContact CA-O 3.31Å; Y133-K138 HydrophobicContact CD1-CB 3.84Å; Y133-K138 HydrophobicContact CE1-CB 3.5Å; Y133-K138 HydrophobicContact CE1-CG 4.09Å; Y133-Y175 CarbonylContact O-C 3.53Å; Y133-Y175 VanDerWaalsContact O-CA 3.27Å; Y133-Y175 WeakPolarHBondContact O-CA 3.36Å; Y133-N176 WeakPolarHBondContact CA-O 3.41Å; Y133-N176 WeakPolarHBondContact CB-O 3.41Å; Y133-N176 PolarHBondContact N-O 3Å; Y133-N176 PolarHBondContact O-N 2.75Å; Y133-K178 HydrophobicContact CD2-CD 4.42Å; Y133-K178 HydrophobicContact CD2-CG 4.04Å; Y133-K178 HydrophobicContact CE2-CB 4.19Å; Y133-K178 HydrophobicContact CE2-CD 3.74Å; Y133-K178 HydrophobicContact CE2-CG 3.67Å
134	R	94.3	Very high	95.4	Very high	16 Å²	16	38.3 Å²	38.3	6%	0.06	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.3	170.1	-171	164	-179.2	-161.6	-0.5	110	P6 L11 G136 V137 I139 L170 R172 Y175	P6-R134 VanDerWaalsContact CD-NH2 3.27Å; P6-R134 VanDerWaalsContact CG-CZ 3.46Å; L11-R134 HydrophobicContact CD1-CG 4.42Å; L11-R134 HydrophobicContact CD2-CB 4.18Å; L11-R134 HydrophobicContact CD2-CG 4.14Å; R134-G136 PolarHBondContact O-N 2.8Å; R134-G136 VanDerWaalsContact O-N 3.12Å; R134-V137 PolarHBondContact N-O 3.24Å; R134-V137 PolarHBondContact O-N 3.41Å; R134-I139 HydrophobicContact CB-CD1 3.9Å; R134-I139 HydrophobicContact CB-CG1 4.42Å; R134-I139 HydrophobicContact CB-CG2 4.43Å; R134-L170 PolarHBondContact NH1-O 3.33Å; R134-L170 PolarHBondContact NH2-O 3.34Å; R134-R172 PolarHBondContact NH2-O 2.97Å; R134-Y175 HydrophobicContact CB-CD1 4.11Å; R134-Y175 HydrophobicContact CB-CE1 4.23Å; R134-Y175 HydrophobicContact CG-CD1 4.49Å; R134-Y175 HydrophobicContact CG-CE1 4.4Å; R134-Y175 PolarHBondContact NH1-OH 2.88Å; R134-Y175 VanDerWaalsContact NH1-OH 3.09Å
135	K	91.7	Very high	95.4	Very high	118 Å²	118	42.6 Å²	42.6	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	36.7	-173.3	-63.4	-175.4	170	-175.5	0	113.2	E5 L11 V137	E5-K135 WeakPolarHBondContact OE2-CE 3.3Å; E5-K135 IonicContact OE2-NZ 2.71Å; E5-K135 PolarHBondContact OE2-NZ 2.88Å; L11-K135 HydrophobicContact CD1-CB 4.17Å; L11-K135 HydrophobicContact CD1-CD 4.34Å; K135-V137 VanDerWaalsContact C-N 3.28Å; K135-V137 PolarHBondContact O-N 3.01Å
136	G	91.6	Very high	95.4	Very high	68 Å²	68	42.7 Å²	42.7	70%	0.701	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-6.1	-179.6	0	0	0	0	0	115.8	R134	R134-G136 PolarHBondContact O-N 2.8Å; R134-G136 VanDerWaalsContact O-N 3.12Å
137	V	93.2	Very high	95.3	Very high	51 Å²	51	43.5 Å²	43.5	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128	175.1	-177.7	0	0	0	0	109.1	L11 Y133 R134 K135 I139	L11-V137 HydrophobicContact CB-CB 4.47Å; L11-V137 HydrophobicContact CB-CG1 4.42Å; Y133-V137 CarbonylContact C-O 3.51Å; Y133-V137 WeakPolarHBondContact CA-O 3.31Å; R134-V137 PolarHBondContact N-O 3.24Å; R134-V137 PolarHBondContact O-N 3.41Å; K135-V137 VanDerWaalsContact C-N 3.28Å; K135-V137 PolarHBondContact O-N 3.01Å; V137-I139 HydrophobicContact CG1-CG2 4.25Å; V137-I139 PolarHBondContact O-N 3.16Å
138	K	95.3	Very high	95.3	Very high	80 Å²	80	44 Å²	44	35%	0.348	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	115.1	169.7	-171.2	-172.2	65.9	165.7	0	107.3	A15 Y133	A15-K138 VanDerWaalsContact CB-O 3.23Å; A15-K138 WeakPolarHBondContact CB-O 3.44Å; Y133-K138 HydrophobicContact CD1-CB 3.84Å; Y133-K138 HydrophobicContact CE1-CB 3.5Å; Y133-K138 HydrophobicContact CE1-CG 4.09Å
139	I	94.6	Very high	95.2	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-16.7	-176.8	53	163.3	0	0	0	112.7	L11 I14 N18 T132 R134 V137 Y175	L11-I139 HydrophobicContact CB-CG2 4.19Å; L11-I139 HydrophobicContact CD2-CG2 4.08Å; I14-I139 HydrophobicContact CG2-CB 4.29Å; N18-I139 PolarHBondContact ND2-O 3.28Å; T132-I139 HydrophobicContact CG2-CD1 4.23Å; T132-I139 HydrophobicContact CG2-CG1 4.25Å; T132-I139 VanDerWaalsContact O-CG1 3.29Å; T132-I139 WeakPolarHBondContact O-CG1 3.36Å; T132-I139 PolarHBondContact O-N 3.21Å; R134-I139 HydrophobicContact CB-CD1 3.9Å; R134-I139 HydrophobicContact CB-CG1 4.42Å; R134-I139 HydrophobicContact CB-CG2 4.43Å; V137-I139 HydrophobicContact CG1-CG2 4.25Å; V137-I139 PolarHBondContact O-N 3.16Å; I139-Y175 HydrophobicContact CD1-CD1 3.8Å; I139-Y175 HydrophobicContact CD1-CE1 3.45Å; I139-Y175 VanDerWaalsContact CD1-CE1 3.45Å
140	D	94.3	Very high	95	Very high	48 Å²	48	46 Å²	46	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	152.6	-177.8	174.8	47.7	0	0	0	110.7	T132 T142	T132-D140 PolarHBondContact N-O 3.44Å; T132-D140 PolarHBondContact O-N 3.37Å; D140-T142 PolarHBondContact OD2-OG1 2.83Å
141	K	94.6	Very high	94.9	Very high	63 Å²	63	45.7 Å²	45.7	27%	0.274	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	126.7	174	168.5	179.7	170.2	-157	0	107.9	E22 Q130 D143	E22-K141 IonicContact OE1-NZ 3.35Å; E22-K141 PolarHBondContact OE1-NZ 3.01Å; E22-K141 IonicContact OE2-NZ 2.72Å; E22-K141 PolarHBondContact OE2-NZ 3.47Å; Q130-K141 CarbonylContact O-C 3.58Å; Q130-K141 WeakPolarHBondContact O-CA 3.46Å; K141-D143 IonicContact NZ-OD2 2.8Å
142	T	93.7	Very high	94.6	Very high	31 Å²	31	47.9 Å²	47.9	19%	0.19	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.5	178.2	-32.2	0	0	0	0	110.2	Q130 D140 Y144	Q130-T142 PolarHBondContact N-O 3.05Å; Q130-T142 PolarHBondContact O-N 3.27Å; D140-T142 PolarHBondContact OD2-OG1 2.83Å; T142-Y144 HydrophobicContact CG2-CD2 4.38Å; T142-Y144 HydrophobicContact CG2-CE1 4Å; T142-Y144 HydrophobicContact CG2-CE2 3.72Å; T142-Y144 VanDerWaalsContact CG2-CZ 3.49Å
143	D	94	Very high	94.2	Very high	69 Å²	69	50.7 Å²	50.7	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.2	176	-69.4	-29.1	0	0	0	109.3	Y128 I129 K141	Y128-D143 WeakPolarHBondContact O-CA 3.34Å; I129-D143 VanDerWaalsContact CG1-OD1 3.31Å; I129-D143 WeakPolarHBondContact CG1-OD1 3.41Å; I129-D143 VanDerWaalsContact CG2-OD1 3.3Å; I129-D143 WeakPolarHBondContact CG2-OD1 3.41Å; K141-D143 IonicContact NZ-OD2 2.8Å
144	Y	95.7	Very high	94	Very high	16 Å²	16	55.1 Å²	55.1	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.1	172.1	-54.2	-85.8	0	0	0	110	I112 K127 Y128 T142 V146 T160 E163	I112-Y144 HydrophobicContact CD1-CE2 4.37Å; K127-Y144 CarbonylContact C-O 3.55Å; K127-Y144 VanDerWaalsContact CA-O 3.25Å; K127-Y144 WeakPolarHBondContact CA-O 3.43Å; K127-Y144 WeakPolarHBondContact CB-O 3.21Å; Y128-Y144 AromaticContact CD1-CD2 3.46Å; Y128-Y144 HydrophobicContact CD1-CD2 3.46Å; Y128-Y144 VanDerWaalsContact CD1-CD2 3.46Å; Y128-Y144 AromaticContact CD1-CE2 3.97Å; Y128-Y144 HydrophobicContact CD1-CE2 3.97Å; Y128-Y144 HydrophobicContact CD1-CG 4.44Å; Y128-Y144 HydrophobicContact CE1-CD2 4.06Å; Y128-Y144 HydrophobicContact CE1-CE2 4.1Å; Y128-Y144 HydrophobicContact CG-CD2 4.39Å; Y128-Y144 PolarHBondContact N-O 2.64Å; Y128-Y144 PolarHBondContact O-N 2.95Å; T142-Y144 HydrophobicContact CG2-CD2 4.38Å; T142-Y144 HydrophobicContact CG2-CE1 4Å; T142-Y144 HydrophobicContact CG2-CE2 3.72Å; T142-Y144 VanDerWaalsContact CG2-CZ 3.49Å; Y144-V146 PolarHBondContact O-N 2.81Å; Y144-T160 HydrophobicContact CD1-CG2 3.57Å; Y144-T160 HydrophobicContact CD2-CG2 4.21Å; Y144-T160 HydrophobicContact CE1-CG2 3.88Å; Y144-T160 HydrophobicContact CE2-CG2 4.43Å; Y144-T160 HydrophobicContact CG-CG2 3.73Å; Y144-E163 WeakPolarHBondContact CE1-OE1 3.34Å; Y144-E163 PolarHBondContact OH-OE1 2.98Å; Y144-E163 PolarHBondContact OH-OE2 3.2Å
145	M	96.1	Very high	94	Very high	109 Å²	109	56.9 Å²	56.9	54%	0.537	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	112.4	170.5	-178.8	57.7	67.2	0	0	109.4	F158	M145-F158 WeakPolarHBondContact O-CZ 3.14Å
146	V	97.3	Very high	94.2	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-38	176.5	-174.7	0	0	0	0	109.9	I114 F116 M126 Y144 Y149 F158 F181	I114-V146 HydrophobicContact CD1-CG2 4.06Å; F116-V146 HydrophobicContact CE1-CG1 3.87Å; F116-V146 HydrophobicContact CZ-CG1 3.99Å; M126-V146 HydrophobicContact CB-CB 4.41Å; M126-V146 HydrophobicContact CE-CB 3.71Å; M126-V146 HydrophobicContact CE-CG1 3.35Å; M126-V146 HydrophobicContact CE-CG2 4.08Å; M126-V146 WeakPolarHBondContact O-CA 3.49Å; M126-V146 VanDerWaalsContact O-CB 3.31Å; M126-V146 WeakPolarHBondContact O-CB 3.18Å; M126-V146 PolarHBondContact O-N 2.96Å; Y144-V146 PolarHBondContact O-N 2.81Å; V146-Y149 HydrophobicContact CG1-CE2 3.77Å; V146-Y149 VanDerWaalsContact O-CE2 3.25Å; V146-Y149 WeakPolarHBondContact O-CE2 3.5Å; V146-Y149 PolarHBondContact O-OH 2.85Å; V146-F158 HydrophobicContact CB-CD1 4.48Å; V146-F158 HydrophobicContact CB-CG 4.4Å; V146-F158 HydrophobicContact CG1-CB 3.73Å; V146-F158 HydrophobicContact CG1-CD1 4.12Å; V146-F158 HydrophobicContact CG1-CD2 3.92Å; V146-F158 HydrophobicContact CG1-CG 3.66Å; V146-F158 HydrophobicContact CG2-CD1 4.1Å; V146-F158 HydrophobicContact CG2-CE1 4.24Å; V146-F158 HydrophobicContact CG2-CG 4.48Å; V146-F181 HydrophobicContact CG2-CE1 4.49Å
147	G	96.9	Very high	94.5	Very high	17 Å²	17	55.1 Å²	55.1	18%	0.175	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111	-164.8	173.6	0	0	0	0	0	114.1	M126	M126-G147 WeakPolarHBondContact CB-O 3.17Å; M126-G147 PolarHBondContact N-O 3.48Å; M126-G147 PolarHBondContact O-N 3.4Å
148	S	96.7	Very high	94.8	Very high	73 Å²	73	54.6 Å²	54.6	51%	0.51	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.7	-178.7	-53.2	0	0	0	0	111.6	V123 G125	V123-S148 CarbonylContact O-C 3.47Å; V123-S148 WeakPolarHBondContact O-CA 3.44Å; V123-S148 WeakPolarHBondContact O-CB 3.27Å; G125-S148 PolarHBondContact N-OG 2.83Å
149	Y	96	Very high	94.9	Very high	51 Å²	51	54.9 Å²	54.9	20%	0.2	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.4	-174.6	-63.6	-94.6	0	0	0	111.3	F116 I122 V123 V146 Y156	F116-Y149 HydrophobicContact CE2-CD1 4.45Å; F116-Y149 AromaticContact CE2-CD2 3.95Å; F116-Y149 HydrophobicContact CE2-CD2 3.95Å; F116-Y149 HydrophobicContact CE2-CE2 4.44Å; F116-Y149 AromaticContact CE2-CG 3.98Å; F116-Y149 HydrophobicContact CE2-CG 3.98Å; F116-Y149 HydrophobicContact CZ-CD1 4.08Å; F116-Y149 AromaticContact CZ-CD2 3.73Å; F116-Y149 HydrophobicContact CZ-CD2 3.73Å; F116-Y149 HydrophobicContact CZ-CE1 4.08Å; F116-Y149 AromaticContact CZ-CE2 3.77Å; F116-Y149 HydrophobicContact CZ-CE2 3.77Å; F116-Y149 AromaticContact CZ-CG 3.91Å; F116-Y149 HydrophobicContact CZ-CG 3.91Å; F116-Y149 AromaticContact CZ-CZ 3.94Å; I122-Y149 WeakPolarHBondContact CA-O 3.35Å; V123-Y149 HydrophobicContact CG1-CD2 4.39Å; V123-Y149 PolarHBondContact N-O 2.87Å; V123-Y149 PolarHBondContact O-N 2.99Å; V146-Y149 HydrophobicContact CG1-CE2 3.77Å; V146-Y149 VanDerWaalsContact O-CE2 3.25Å; V146-Y149 WeakPolarHBondContact O-CE2 3.5Å; V146-Y149 PolarHBondContact O-OH 2.85Å; Y149-Y156 AromaticContact CD1-CD1 3.46Å; Y149-Y156 HydrophobicContact CD1-CD1 3.46Å; Y149-Y156 VanDerWaalsContact CD1-CD1 3.46Å; Y149-Y156 HydrophobicContact CD1-CD2 4.31Å; Y149-Y156 AromaticContact CD1-CE1 3.52Å; Y149-Y156 HydrophobicContact CD1-CE1 3.52Å; Y149-Y156 HydrophobicContact CD1-CE2 4.33Å; Y149-Y156 AromaticContact CD1-CG 3.88Å; Y149-Y156 HydrophobicContact CD1-CG 3.88Å; Y149-Y156 AromaticContact CD1-CZ 3.96Å; Y149-Y156 AromaticContact CE1-CD1 3.83Å; Y149-Y156 HydrophobicContact CE1-CD1 3.83Å; Y149-Y156 HydrophobicContact CE1-CE1 4.22Å; Y149-Y156 HydrophobicContact CE1-CG 4.35Å; Y149-Y156 HydrophobicContact CG-CD1 4.47Å; Y149-Y156 HydrophobicContact CG-CE1 4.47Å
150	G	93.4	Very high	94.9	Very high	11 Å²	11	54.3 Å²	54.3	11%	0.113	28%	0.283	C	S	.	.			trans	-86.3	162.9	171.9	0	0	0	0	0	112.3	Y156	G150-Y156 WeakPolarHBondContact O-CE2 3.42Å; G150-Y156 PolarHBondContact O-OH 3Å
151	P	93.3	Very high	95	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.032	30%	0.298	C	S	.	.			trans	-67.7	138.8	177.8	29.8	-36.3	0	0	0	111.6	I35 V59 V118	I35-P151 HydrophobicContact CD1-CG 3.32Å; V59-P151 HydrophobicContact CG1-CG 4.43Å; V118-P151 HydrophobicContact CG1-CB 4.26Å; V118-P151 VanDerWaalsContact O-CA 3.23Å; V118-P151 WeakPolarHBondContact O-CA 3.43Å
152	R	90.9	Very high	95	Very high	97 Å²	97	57.3 Å²	57.3	37%	0.366	31%	0.305	S	S	.	.			trans	-155.2	158.2	170.3	74.5	179.5	-173.9	-176.1	5.5	110.3	V118 E154 E155 Y156	V118-R152 PolarHBondContact O-N 2.89Å; V118-R152 VanDerWaalsContact O-N 3.14Å; R152-E154 VanDerWaalsContact C-N 3.34Å; R152-E154 WeakPolarHBondContact CG-O 3.36Å; R152-E154 PolarHBondContact NE-O 2.83Å; R152-E154 PolarHBondContact O-N 3.4Å; R152-E155 PolarHBondContact NH2-O 2.89Å; R152-Y156 WeakPolarHBondContact CD-OH 3.45Å; R152-Y156 HydrophobicContact CG-CD2 4.47Å; R152-Y156 HydrophobicContact CG-CE1 4.48Å; R152-Y156 HydrophobicContact CG-CE2 3.68Å; R152-Y156 VanDerWaalsContact NE-CZ 3.29Å; R152-Y156 VanDerWaalsContact NH1-CE1 3.3Å
153	A	88.1	Confident	95	Very high	73 Å²	73	58.2 Å²	58.2	60%	0.603	31%	0.307	S	S	*	.	S	Bend	trans	-64.7	-39	-179.7	0	0	0	0	0	112.7	R117	R117-A153 PolarHBondContact NH2-O 3.13Å
154	E	91.7	Very high	95	Very high	143 Å²	143	59.7 Å²	59.7	67%	0.668	31%	0.312	S	S	*	.	S	Bend	trans	-78.5	144.5	-178.9	-66.2	179.7	-178.2	0	0	112.7	R152	R152-E154 VanDerWaalsContact C-N 3.34Å; R152-E154 WeakPolarHBondContact CG-O 3.36Å; R152-E154 PolarHBondContact NE-O 2.83Å; R152-E154 PolarHBondContact O-N 3.4Å
155	E	94.5	Very high	94.9	Very high	52 Å²	52	59 Å²	59	24%	0.243	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.4	175.6	177.6	156.7	-161.7	0	0	112	T73 R74 S115 F116 R117 R152	T73-E155 WeakPolarHBondContact CB-OE1 3.44Å; T73-E155 VanDerWaalsContact CG2-OE1 3.24Å; T73-E155 WeakPolarHBondContact CG2-OE1 3.46Å; T73-E155 PolarHBondContact OG1-OE1 3.3Å; T73-E155 PolarHBondContact OG1-OE2 3.47Å; R74-E155 IonicContact NH2-OE2 3.87Å; S115-E155 WeakPolarHBondContact CA-OE1 3.33Å; S115-E155 WeakPolarHBondContact CB-OE1 3.24Å; F116-E155 PolarHBondContact N-OE1 3.05Å; F116-E155 VanDerWaalsContact N-OE1 3.08Å; F116-E155 WeakPolarHBondContact O-CG 3.2Å; R117-E155 HydrophobicContact CG-CB 3.98Å; R117-E155 HydrophobicContact CG-CG 4.25Å; R152-E155 PolarHBondContact NH2-O 2.89Å
156	Y	97.2	Very high	94.8	Very high	31 Å²	31	56.9 Å²	56.9	12%	0.122	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	145.6	168.5	-68.9	-81.6	0	0	0	109.8	S115 F116 V118 Y149 G150 R152	S115-Y156 VanDerWaalsContact CA-O 3.27Å; S115-Y156 WeakPolarHBondContact CA-O 3.39Å; F116-Y156 HydrophobicContact CD2-CD2 4.38Å; F116-Y156 AromaticContact CE2-CD2 3.89Å; F116-Y156 HydrophobicContact CE2-CD2 3.89Å; F116-Y156 HydrophobicContact CE2-CG 4.04Å; F116-Y156 HydrophobicContact CZ-CD2 4.3Å; F116-Y156 AromaticContact CZ-CG 3.96Å; F116-Y156 HydrophobicContact CZ-CG 3.96Å; F116-Y156 PolarHBondContact N-O 3.35Å; F116-Y156 PolarHBondContact O-N 3.17Å; V118-Y156 HydrophobicContact CB-CE2 4.25Å; V118-Y156 HydrophobicContact CG2-CD2 4.19Å; V118-Y156 HydrophobicContact CG2-CE2 4.06Å; Y149-Y156 AromaticContact CD1-CD1 3.46Å; Y149-Y156 HydrophobicContact CD1-CD1 3.46Å; Y149-Y156 VanDerWaalsContact CD1-CD1 3.46Å; Y149-Y156 HydrophobicContact CD1-CD2 4.31Å; Y149-Y156 AromaticContact CD1-CE1 3.52Å; Y149-Y156 HydrophobicContact CD1-CE1 3.52Å; Y149-Y156 HydrophobicContact CD1-CE2 4.33Å; Y149-Y156 AromaticContact CD1-CG 3.88Å; Y149-Y156 HydrophobicContact CD1-CG 3.88Å; Y149-Y156 AromaticContact CD1-CZ 3.96Å; Y149-Y156 AromaticContact CE1-CD1 3.83Å; Y149-Y156 HydrophobicContact CE1-CD1 3.83Å; Y149-Y156 HydrophobicContact CE1-CE1 4.22Å; Y149-Y156 HydrophobicContact CE1-CG 4.35Å; Y149-Y156 HydrophobicContact CG-CD1 4.47Å; Y149-Y156 HydrophobicContact CG-CE1 4.47Å; G150-Y156 WeakPolarHBondContact O-CE2 3.42Å; G150-Y156 PolarHBondContact O-OH 3Å; R152-Y156 WeakPolarHBondContact CD-OH 3.45Å; R152-Y156 HydrophobicContact CG-CD2 4.47Å; R152-Y156 HydrophobicContact CG-CE1 4.48Å; R152-Y156 HydrophobicContact CG-CE2 3.68Å; R152-Y156 VanDerWaalsContact NE-CZ 3.29Å; R152-Y156 VanDerWaalsContact NH1-CE1 3.3Å
157	E	97.8	Very high	94.6	Very high	118 Å²	118	63.1 Å²	63.1	55%	0.551	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.2	167.7	-65	-165.3	141.6	0	0	108.9	K113 I114	K113-E157 IonicContact NZ-OE1 3.07Å; K113-E157 PolarHBondContact NZ-OE1 2.98Å; K113-E157 IonicContact NZ-OE2 3.46Å; I114-E157 WeakPolarHBondContact O-CA 3.42Å
158	F	97.8	Very high	94.2	Very high	41 Å²	41	63.7 Å²	63.7	18%	0.18	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.9	172.9	173.8	-92.6	0	0	0	109.2	K113 I114 F116 M145 V146 T160	K113-F158 CarbonylContact C-O 3.55Å; K113-F158 WeakPolarHBondContact CA-O 3.21Å; I114-F158 HydrophobicContact CD1-CD1 4.08Å; I114-F158 PolarHBondContact N-O 3.38Å; I114-F158 PolarHBondContact O-N 3.36Å; F116-F158 HydrophobicContact CE1-CB 4.32Å; M145-F158 WeakPolarHBondContact O-CZ 3.14Å; V146-F158 HydrophobicContact CB-CD1 4.48Å; V146-F158 HydrophobicContact CB-CG 4.4Å; V146-F158 HydrophobicContact CG1-CB 3.73Å; V146-F158 HydrophobicContact CG1-CD1 4.12Å; V146-F158 HydrophobicContact CG1-CD2 3.92Å; V146-F158 HydrophobicContact CG1-CG 3.66Å; V146-F158 HydrophobicContact CG2-CD1 4.1Å; V146-F158 HydrophobicContact CG2-CE1 4.24Å; V146-F158 HydrophobicContact CG2-CG 4.48Å; F158-T160 HydrophobicContact CE1-CG2 4.09Å
159	L	97.3	Very high	93.8	Very high	85 Å²	85	64.2 Å²	64.2	45%	0.445	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.3	174.3	-74.4	167.8	0	0	0	109.1	V78 R111 I112 K113	V78-L159 HydrophobicContact CG2-CD2 4.2Å; R111-L159 HydrophobicContact CB-CD2 4.42Å; I112-L159 WeakPolarHBondContact O-CA 3.24Å; K113-L159 HydrophobicContact CB-CD2 3.56Å; K113-L159 HydrophobicContact CD-CD2 4.34Å; K113-L159 HydrophobicContact CG-CD2 3.78Å; K113-L159 HydrophobicContact CG-CG 4.38Å
160	T	96.1	Very high	93.4	Very high	2 Å²	2	66 Å²	66	1%	0.012	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-64.7	163.1	169	64.8	0	0	0	0	110.7	R111 I112 Y144 F158	R111-T160 WeakPolarHBondContact CD-O 3.49Å; I112-T160 HydrophobicContact CB-CG2 3.8Å; I112-T160 PolarHBondContact N-OG1 3.1Å; I112-T160 PolarHBondContact O-N 2.92Å; Y144-T160 HydrophobicContact CD1-CG2 3.57Å; Y144-T160 HydrophobicContact CD2-CG2 4.21Å; Y144-T160 HydrophobicContact CE1-CG2 3.88Å; Y144-T160 HydrophobicContact CE2-CG2 4.43Å; Y144-T160 HydrophobicContact CG-CG2 3.73Å; F158-T160 HydrophobicContact CE1-CG2 4.09Å
161	P	96	Very high	93.3	Very high	86 Å²	86	66 Å²	66	56%	0.558	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-52.2	159.1	163.1	-25	35.9	0	0	0	112
162	M	95.5	Very high	93.4	Very high	88 Å²	88	68.4 Å²	68.4	43%	0.433	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-67.6	133.1	172.9	-165.3	75.5	91.3	0	0	109.9	E109 R111	E109-M162 HydrophobicContact CB-CG 4.03Å; E109-M162 HydrophobicContact CB-SD 3.91Å; E109-M162 HydrophobicContact CG-CG 4.41Å; R111-M162 HydrophobicContact CG-CB 4.46Å; R111-M162 HydrophobicContact CG-SD 3.7Å
163	E	93.4	Very high	93.5	Very high	50 Å²	50	65 Å²	65	23%	0.234	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.7	174.7	-66.5	-173.4	160.9	0	0	111	E109 Y110 Y144	E109-E163 CarbonylContact C-O 3.57Å; E109-E163 WeakPolarHBondContact CA-O 3.42Å; Y110-E163 HydrophobicContact CE1-CB 4.07Å; Y110-E163 HydrophobicContact CE2-CB 4.16Å; Y110-E163 WeakPolarHBondContact CE2-OE2 3.31Å; Y110-E163 PolarHBondContact N-O 3.11Å; Y110-E163 PolarHBondContact O-N 2.71Å; Y110-E163 PolarHBondContact OH-OE2 2.92Å; Y144-E163 WeakPolarHBondContact CE1-OE1 3.34Å; Y144-E163 PolarHBondContact OH-OE1 2.98Å; Y144-E163 PolarHBondContact OH-OE2 3.2Å
164	E	94.3	Very high	93.8	Very high	100 Å²	100	65.2 Å²	65.2	47%	0.467	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.9	172.9	-175.2	-179.5	126.8	0	0	109.1	K167	E164-K167 IonicContact OE1-NZ 3.97Å; E164-K167 PolarHBondContact OE1-NZ 2.75Å
165	A	93.6	Very high	94	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.315	C	S	.	.			trans	-61.8	137.8	173.6	0	0	0	0	0	110.3	L104 G107 V108 Y110	L104-A165 HydrophobicContact CD2-CB 3.71Å; L104-A165 HydrophobicContact CG-CB 4Å; G107-A165 WeakPolarHBondContact CA-O 3.46Å; G107-A165 PolarHBondContact N-O 2.87Å; V108-A165 HydrophobicContact CG2-CB 4.26Å; V108-A165 PolarHBondContact O-N 3.2Å; Y110-A165 HydrophobicContact CD1-CB 4.29Å; Y110-A165 HydrophobicContact CE1-CB 4.1Å
166	P	92.9	Very high	94.1	Very high	65 Å²	65	58.7 Å²	58.7	42%	0.422	31%	0.314	S	S	.	.			trans	-63.1	148.1	-177.1	28.8	-36.5	0	0	0	110.7	E106 A171 I198	E106-P166 WeakPolarHBondContact CB-O 3.29Å; P166-A171 HydrophobicContact CB-CB 3.83Å; P166-A171 HydrophobicContact CG-CB 4.25Å; P166-I198 HydrophobicContact CG-CD1 3.37Å
167	K	92.4	Very high	94.1	Very high	138 Å²	138	57.4 Å²	57.4	60%	0.6	31%	0.309	S	S	*	.			trans	-123.4	153.9	-172.4	66.8	-170.2	170.2	-143.7	0	113.3	E106 E164	E106-K167 HydrophobicContact CB-CB 4.41Å; E106-K167 HydrophobicContact CG-CB 4.49Å; E164-K167 IonicContact OE1-NZ 3.97Å; E164-K167 PolarHBondContact OE1-NZ 2.75Å
168	G	90.4	Very high	94.1	Very high	28 Å²	28	55.4 Å²	55.4	29%	0.289	30%	0.299	S	S	.	.	S	Bend	trans	102.9	166.6	174.8	0	0	0	0	0	112.9	E106 L170 A171 R172	E106-G168 PolarHBondContact OE2-N 2.94Å; G168-L170 PolarHBondContact O-N 2.7Å; G168-A171 PolarHBondContact O-N 3.18Å; G168-R172 PolarHBondContact O-N 2.69Å
169	M	87.7	Confident	94.1	Very high	85 Å²	85	53.7 Å²	53.7	42%	0.419	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.5	-172.5	-170.4	175.7	179	0	0	113	A2 Q4	A2-M169 VanDerWaalsContact O-CE 3.27Å; A2-M169 WeakPolarHBondContact O-CE 3.49Å; Q4-M169 HydrophobicContact CB-CE 4.27Å; Q4-M169 VanDerWaalsContact N-CE 3.3Å
170	L	87.8	Confident	94.1	Very high	87 Å²	87	53.7 Å²	53.7	46%	0.455	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-30	176	-71.6	174.9	0	0	0	112.5	P6 R134 G168	P6-L170 HydrophobicContact CB-CD2 4.22Å; R134-L170 PolarHBondContact NH1-O 3.33Å; R134-L170 PolarHBondContact NH2-O 3.34Å; G168-L170 PolarHBondContact O-N 2.7Å
171	A	91.2	Very high	94.2	Very high	13 Å²	13	53.6 Å²	53.6	11%	0.107	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.6	-178.7	0	0	0	0	0	113.7	P166 G168 Y175	P166-A171 HydrophobicContact CB-CB 3.83Å; P166-A171 HydrophobicContact CG-CB 4.25Å; G168-A171 PolarHBondContact O-N 3.18Å; A171-Y175 WeakPolarHBondContact O-CE2 3.31Å; A171-Y175 PolarHBondContact O-OH 3.4Å
172	R	94.2	Very high	94.3	Very high	55 Å²	55	49.8 Å²	49.8	21%	0.208	26%	0.26	C	S	.	.			trans	-68.6	142.5	177.9	-65	177.4	-153.4	151	4.7	111.6	E106 R134 G168 I198	E106-R172 IonicContact OE1-CZ 2.78Å; E106-R172 VanDerWaalsContact OE1-CZ 3.25Å; E106-R172 IonicContact OE1-NE 3.51Å; E106-R172 PolarHBondContact OE1-NE 3.46Å; E106-R172 VanDerWaalsContact OE1-NE 3.07Å; E106-R172 IonicContact OE1-NH2 2.87Å; E106-R172 PolarHBondContact OE1-NH2 2.8Å; E106-R172 WeakPolarHBondContact OE2-CG 3.23Å; E106-R172 IonicContact OE2-CZ 3.92Å; E106-R172 IonicContact OE2-NE 2.75Å; E106-R172 PolarHBondContact OE2-NE 3.07Å; E106-R172 IonicContact OE2-NH2 2.63Å; E106-R172 PolarHBondContact OE2-NH2 2.95Å; R134-R172 PolarHBondContact NH2-O 2.97Å; G168-R172 PolarHBondContact O-N 2.69Å; R172-I198 WeakPolarHBondContact CA-O 3.42Å
173	G	93.6	Very high	94.4	Very high	26 Å²	26	46 Å²	46	27%	0.268	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	134.7	-173.3	179.3	0	0	0	0	0	113.1	Y175 T197 I198	G173-Y175 WeakPolarHBondContact O-CD2 3.38Å; G173-Y175 WeakPolarHBondContact O-CE2 3.45Å; G173-T197 CarbonylContact O-C 3.59Å; G173-T197 WeakPolarHBondContact O-CA 3.47Å; G173-I198 PolarHBondContact N-O 3.24Å; G173-I198 PolarHBondContact O-N 3.27Å
174	S	94.8	Very high	94.6	Very high	76 Å²	76	44.9 Å²	44.9	53%	0.531	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138	-176.5	-60.3	0	0	0	0	112.5	L196 T197	S174-L196 CarbonylContact C-O 3.57Å; S174-L196 WeakPolarHBondContact CA-O 3.36Å; S174-T197 PolarHBondContact OG-OG1 3.35Å; S174-T197 VanDerWaalsContact OG-OG1 3.09Å
175	Y	96	Very high	94.6	Very high	17 Å²	17	43 Å²	43	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.4	179.5	-62.2	-97.5	0	0	0	108.6	T132 Y133 R134 I139 A171 G173 N195 L196 I198	T132-Y175 HydrophobicContact CG2-CD1 3.71Å; T132-Y175 HydrophobicContact CG2-CG 4.35Å; Y133-Y175 CarbonylContact O-C 3.53Å; Y133-Y175 VanDerWaalsContact O-CA 3.27Å; Y133-Y175 WeakPolarHBondContact O-CA 3.36Å; R134-Y175 HydrophobicContact CB-CD1 4.11Å; R134-Y175 HydrophobicContact CB-CE1 4.23Å; R134-Y175 HydrophobicContact CG-CD1 4.49Å; R134-Y175 HydrophobicContact CG-CE1 4.4Å; R134-Y175 PolarHBondContact NH1-OH 2.88Å; R134-Y175 VanDerWaalsContact NH1-OH 3.09Å; I139-Y175 HydrophobicContact CD1-CD1 3.8Å; I139-Y175 HydrophobicContact CD1-CE1 3.45Å; I139-Y175 VanDerWaalsContact CD1-CE1 3.45Å; A171-Y175 WeakPolarHBondContact O-CE2 3.31Å; A171-Y175 PolarHBondContact O-OH 3.4Å; G173-Y175 WeakPolarHBondContact O-CD2 3.38Å; G173-Y175 WeakPolarHBondContact O-CE2 3.45Å; Y175-N195 VanDerWaalsContact O-CA 3.31Å; Y175-N195 WeakPolarHBondContact O-CA 3.49Å; Y175-L196 PolarHBondContact N-O 3.09Å; Y175-L196 PolarHBondContact O-N 3.33Å; Y175-I198 HydrophobicContact CD2-CD1 4.24Å; Y175-I198 HydrophobicContact CD2-CG1 4.13Å; Y175-I198 HydrophobicContact CE2-CB 4.13Å; Y175-I198 HydrophobicContact CE2-CD1 3.67Å; Y175-I198 HydrophobicContact CE2-CG1 3.79Å
176	N	96.9	Very high	94.7	Very high	42 Å²	42	51.5 Å²	51.5	23%	0.225	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.1	168.2	173.4	-106.9	0	0	0	107.7	Y133 N195	Y133-N176 WeakPolarHBondContact CA-O 3.41Å; Y133-N176 WeakPolarHBondContact CB-O 3.41Å; Y133-N176 PolarHBondContact N-O 3Å; Y133-N176 PolarHBondContact O-N 2.75Å; N176-N195 PolarHBondContact ND2-OD1 2.95Å
177	I	96.8	Very high	94.8	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.1	-176.5	-60.2	173.5	0	0	0	108	Q130 H131 T132 E193 W194 L196	Q130-I177 HydrophobicContact CG-CG2 3.44Å; Q130-I177 VanDerWaalsContact CG-CG2 3.44Å; H131-I177 WeakPolarHBondContact O-CA 3.46Å; T132-I177 HydrophobicContact CG2-CG1 4.49Å; I177-E193 CarbonylContact O-C 3.55Å; I177-E193 VanDerWaalsContact O-CA 3.27Å; I177-E193 WeakPolarHBondContact O-CA 3.35Å; I177-W194 HydrophobicContact CB-CD2 4.16Å; I177-W194 HydrophobicContact CB-CG 4.35Å; I177-W194 HydrophobicContact CB-CZ2 4.19Å; I177-W194 HydrophobicContact CD1-CD2 4.26Å; I177-W194 HydrophobicContact CD1-CE3 4.26Å; I177-W194 HydrophobicContact CD1-CH2 3.53Å; I177-W194 HydrophobicContact CD1-CZ2 3.51Å; I177-W194 HydrophobicContact CD1-CZ3 3.93Å; I177-W194 HydrophobicContact CG1-CZ2 4.45Å; I177-W194 HydrophobicContact CG2-CZ2 3.87Å; I177-W194 VanDerWaalsContact CG2-NE1 3.34Å; I177-W194 PolarHBondContact N-O 3.21Å; I177-W194 PolarHBondContact O-N 3.46Å; I177-L196 HydrophobicContact CD1-CB 3.63Å; I177-L196 HydrophobicContact CD1-CD2 3.98Å; I177-L196 HydrophobicContact CD1-CG 4.42Å
178	K	97.8	Very high	95.1	Very high	77 Å²	77	49 Å²	49	34%	0.335	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.4	171	-52.5	-165.1	-179.2	-142	0	108.5	H131 Y133 E193	H131-K178 HydrophobicContact CB-CB 4.38Å; H131-K178 PolarHBondContact N-O 3.36Å; H131-K178 PolarHBondContact O-N 3.09Å; Y133-K178 HydrophobicContact CD2-CD 4.42Å; Y133-K178 HydrophobicContact CD2-CG 4.04Å; Y133-K178 HydrophobicContact CE2-CB 4.19Å; Y133-K178 HydrophobicContact CE2-CD 3.74Å; Y133-K178 HydrophobicContact CE2-CG 3.67Å; K178-E193 HydrophobicContact CB-CG 4.37Å; K178-E193 HydrophobicContact CD-CG 4.29Å; K178-E193 WeakPolarHBondContact CD-OE1 3.39Å; K178-E193 VanDerWaalsContact CE-OE1 3.22Å; K178-E193 WeakPolarHBondContact CE-OE1 3.33Å; K178-E193 HydrophobicContact CG-CG 3.9Å; K178-E193 IonicContact NZ-OE1 2.67Å; K178-E193 PolarHBondContact NZ-OE1 3.38Å; K178-E193 IonicContact NZ-OE2 2.71Å
179	S	97.5	Very high	95.4	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.028	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.6	-168.5	-79.5	0	0	0	0	109.7	Y128 I129 S191 W192 W194	Y128-S179 PolarHBondContact OH-OG 2.93Å; I129-S179 WeakPolarHBondContact O-CA 3.3Å; S179-S191 CarbonylContact O-C 3.51Å; S179-S191 WeakPolarHBondContact O-CA 3.35Å; S179-W192 VanDerWaalsContact CB-CE2 3.42Å; S179-W192 PolarHBondContact N-O 3.06Å; S179-W192 PolarHBondContact O-N 3.26Å; S179-W194 PolarHBondContact OG-NE1 2.57Å
180	R	98	Very high	95.9	Very high	85 Å²	85	47 Å²	47	32%	0.321	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.3	173.5	64.9	176	-78.4	163.1	-3.3	113.2	I129 T182 L190 S191	I129-R180 HydrophobicContact CB-CG 3.72Å; I129-R180 HydrophobicContact CD1-CG 4.31Å; I129-R180 HydrophobicContact CG1-CG 4.31Å; I129-R180 HydrophobicContact CG2-CG 4.36Å; I129-R180 PolarHBondContact N-O 2.82Å; I129-R180 PolarHBondContact O-N 3.19Å; R180-T182 PolarHBondContact NH2-OG1 2.9Å; R180-T182 VanDerWaalsContact NH2-OG1 3.16Å; R180-L190 CarbonylContact C-O 3.57Å; R180-L190 WeakPolarHBondContact CA-O 3.32Å; R180-S191 VanDerWaalsContact CB-OG 3.27Å; R180-S191 WeakPolarHBondContact CB-OG 3.35Å
181	F	98.4	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130	166.5	-78.2	-81.4	0	0	0	110.3	V72 I114 K127 Y128 V146 H189 L190 W192	V72-F181 HydrophobicContact CB-CD2 4.22Å; V72-F181 HydrophobicContact CB-CE2 4.26Å; V72-F181 HydrophobicContact CG1-CD2 4.07Å; V72-F181 HydrophobicContact CG1-CE2 3.6Å; V72-F181 HydrophobicContact CG1-CZ 4.04Å; V72-F181 HydrophobicContact CG2-CB 4.26Å; V72-F181 HydrophobicContact CG2-CD1 4.32Å; V72-F181 HydrophobicContact CG2-CD2 3.61Å; V72-F181 HydrophobicContact CG2-CE2 3.99Å; V72-F181 HydrophobicContact CG2-CG 3.8Å; I114-F181 HydrophobicContact CB-CZ 4.34Å; I114-F181 HydrophobicContact CD1-CE1 3.92Å; I114-F181 HydrophobicContact CD1-CZ 3.85Å; I114-F181 HydrophobicContact CG1-CE1 4.48Å; I114-F181 HydrophobicContact CG1-CZ 4.02Å; I114-F181 HydrophobicContact CG2-CE1 3.68Å; I114-F181 HydrophobicContact CG2-CE2 4.44Å; I114-F181 HydrophobicContact CG2-CZ 3.4Å; K127-F181 WeakPolarHBondContact O-CA 3.46Å; Y128-F181 HydrophobicContact CD2-CD2 4.4Å; Y128-F181 HydrophobicContact CD2-CE1 4.11Å; Y128-F181 AromaticContact CD2-CE2 3.95Å; Y128-F181 HydrophobicContact CD2-CE2 3.95Å; Y128-F181 AromaticContact CD2-CZ 3.77Å; Y128-F181 HydrophobicContact CD2-CZ 3.77Å; Y128-F181 HydrophobicContact CE2-CE2 4.49Å; Y128-F181 HydrophobicContact CG-CE1 4.13Å; Y128-F181 HydrophobicContact CG-CZ 4.03Å; V146-F181 HydrophobicContact CG2-CE1 4.49Å; F181-H189 HydrophobicContact CB-CB 4.06Å; F181-H189 PolarHBondContact O-N 3.18Å; F181-L190 HydrophobicContact CD2-CB 4.49Å; F181-L190 PolarHBondContact N-O 3.34Å; F181-W192 HydrophobicContact CD2-CH2 4.03Å; F181-W192 AromaticContact CD2-CZ3 3.68Å; F181-W192 HydrophobicContact CD2-CZ3 3.68Å; F181-W192 AromaticContact CE2-CH2 3.57Å; F181-W192 HydrophobicContact CE2-CH2 3.57Å; F181-W192 AromaticContact CE2-CZ3 3.72Å; F181-W192 HydrophobicContact CE2-CZ3 3.72Å
182	T	98.2	Very high	96.7	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	177.9	176.6	-159.6	0	0	0	0	110.4	M126 K127 I129 R180 T187	M126-T182 CarbonylContact C-O 3.58Å; M126-T182 WeakPolarHBondContact CA-O 3.16Å; K127-T182 HydrophobicContact CD-CG2 4.25Å; K127-T182 HydrophobicContact CG-CG2 3.79Å; K127-T182 PolarHBondContact N-O 2.73Å; K127-T182 PolarHBondContact O-N 3.16Å; I129-T182 HydrophobicContact CD1-CG2 3.73Å; I129-T182 HydrophobicContact CG1-CG2 4.34Å; R180-T182 PolarHBondContact NH2-OG1 2.9Å; R180-T182 VanDerWaalsContact NH2-OG1 3.16Å; T182-T187 WeakPolarHBondContact CA-O 3.48Å; T182-T187 VanDerWaalsContact CB-O 3.3Å; T182-T187 WeakPolarHBondContact CB-O 3.44Å; T182-T187 PolarHBondContact OG1-O 3.18Å
183	D	97.5	Very high	96.8	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.053	24%	0.238	C	C	.	.			trans	-143	-176.9	-174.3	61.7	12.8	0	0	0	111.2	V123 S124 D185 K186 T187 H189	V123-D183 HydrophobicContact CG2-CB 3.97Å; S124-D183 WeakPolarHBondContact O-CB 3.31Å; D183-D185 PolarHBondContact O-N 2.76Å; D183-D185 WeakPolarHBondContact OD1-CA 3.46Å; D183-D185 WeakPolarHBondContact OD1-CB 3.48Å; D183-D185 PolarHBondContact OD1-N 2.76Å; D183-D185 VanDerWaalsContact OD1-N 3.15Å; D183-K186 PolarHBondContact O-N 2.62Å; D183-K186 PolarHBondContact OD1-N 2.55Å; D183-T187 WeakPolarHBondContact OD1-CB 3.36Å; D183-T187 PolarHBondContact OD1-N 3.09Å; D183-T187 PolarHBondContact OD1-OG1 2.87Å; D183-T187 WeakPolarHBondContact OD2-CB 3.27Å; D183-T187 PolarHBondContact OD2-OG1 2.81Å; D183-H189 IonicContact OD2-CD2 2.69Å; D183-H189 IonicContact OD2-CE1 3.57Å; D183-H189 PolarHBondContact OD2-CE1 3.38Å; D183-H189 IonicContact OD2-NE2 3.25Å; D183-H189 PolarHBondContact OD2-NE2 2.76Å
184	D	96.2	Very high	96.9	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.2	178.2	-71.4	-32.8	0	0	0	112.9	Y27 P29 S124 G125 K186	Y27-D184 WeakPolarHBondContact CE1-OD1 3.27Å; Y27-D184 PolarHBondContact OH-OD2 2.77Å; P29-D184 HydrophobicContact CB-CB 4Å; P29-D184 HydrophobicContact CG-CB 4.16Å; S124-D184 VanDerWaalsContact C-OD2 3.3Å; S124-D184 WeakPolarHBondContact O-CB 3.47Å; S124-D184 PolarHBondContact O-N 2.75Å; S124-D184 PolarHBondContact OG-OD2 2.88Å; G125-D184 WeakPolarHBondContact CA-OD2 3.36Å; G125-D184 PolarHBondContact N-OD2 3.12Å; D184-K186 PolarHBondContact O-N 3.47Å
185	D	94.7	Very high	96.9	Very high	60 Å²	60	42.5 Å²	42.5	32%	0.321	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-0.7	177.2	-63.9	-52.6	0	0	0	113	Q32 D183 T187	Q32-D185 VanDerWaalsContact CG-OD1 3.31Å; Q32-D185 WeakPolarHBondContact CG-OD1 3.01Å; Q32-D185 PolarHBondContact NE2-OD1 2.71Å; D183-D185 PolarHBondContact O-N 2.76Å; D183-D185 WeakPolarHBondContact OD1-CA 3.46Å; D183-D185 WeakPolarHBondContact OD1-CB 3.48Å; D183-D185 PolarHBondContact OD1-N 2.76Å; D183-D185 VanDerWaalsContact OD1-N 3.15Å; D185-T187 PolarHBondContact O-N 2.96Å
186	K	95.1	Very high	96.8	Very high	179 Å²	179	42.8 Å²	42.8	78%	0.778	21%	0.212	S	C	*	.			trans	62.3	22.3	-177.1	-49.9	176	-178.5	176.7	0	113.3	D183 D184 D188	D183-K186 PolarHBondContact O-N 2.62Å; D183-K186 PolarHBondContact OD1-N 2.55Å; D184-K186 PolarHBondContact O-N 3.47Å; K186-D188 PolarHBondContact O-N 3.23Å
187	T	96.8	Very high	96.7	Very high	61 Å²	61	41.6 Å²	41.6	37%	0.374	21%	0.207	S	C	.	.			trans	-65.5	132.4	173.9	-50	0	0	0	0	108.8	T182 D183 D185 H189	T182-T187 WeakPolarHBondContact CA-O 3.48Å; T182-T187 VanDerWaalsContact CB-O 3.3Å; T182-T187 WeakPolarHBondContact CB-O 3.44Å; T182-T187 PolarHBondContact OG1-O 3.18Å; D183-T187 WeakPolarHBondContact OD1-CB 3.36Å; D183-T187 PolarHBondContact OD1-N 3.09Å; D183-T187 PolarHBondContact OD1-OG1 2.87Å; D183-T187 WeakPolarHBondContact OD2-CB 3.27Å; D183-T187 PolarHBondContact OD2-OG1 2.81Å; D185-T187 PolarHBondContact O-N 2.96Å; T187-H189 VanDerWaalsContact CG2-CE1 3.46Å; T187-H189 WeakPolarHBondContact CG2-CE1 3.21Å
188	D	97.3	Very high	96.6	Very high	89 Å²	89	41.8 Å²	41.8	48%	0.476	21%	0.207	S	C	.	.			trans	-90.3	102	169.3	-175.3	14.9	0	0	0	108.4	K186 S191	K186-D188 PolarHBondContact O-N 3.23Å; D188-S191 PolarHBondContact OD1-OG 2.92Å; D188-S191 PolarHBondContact OD2-OG 3.37Å; D188-S191 VanDerWaalsContact OD2-OG 3.13Å
189	H	97.7	Very high	96.5	Very high	40 Å²	40	40.7 Å²	40.7	19%	0.185	20%	0.203	C	C	.	.			trans	-80.6	-34.2	-177.2	-67.1	-59.8	0	0	0	111.8	V70 F181 D183 T187	V70-H189 HydrophobicContact CB-CB 4.33Å; V70-H189 HydrophobicContact CG1-CB 4.41Å; F181-H189 HydrophobicContact CB-CB 4.06Å; F181-H189 PolarHBondContact O-N 3.18Å; D183-H189 IonicContact OD2-CD2 2.69Å; D183-H189 IonicContact OD2-CE1 3.57Å; D183-H189 PolarHBondContact OD2-CE1 3.38Å; D183-H189 IonicContact OD2-NE2 3.25Å; D183-H189 PolarHBondContact OD2-NE2 2.76Å; T187-H189 VanDerWaalsContact CG2-CE1 3.46Å; T187-H189 WeakPolarHBondContact CG2-CE1 3.21Å
190	L	98	Very high	96.4	Very high	31 Å²	31	45.9 Å²	45.9	16%	0.162	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	135.8	178.6	-173	67.3	0	0	0	109.4	V72 L90 L94 R180 F181 W192	V72-L190 HydrophobicContact CB-CD2 4.1Å; L90-L190 HydrophobicContact CB-CD2 3.79Å; L90-L190 HydrophobicContact CD1-CD2 3.91Å; L90-L190 HydrophobicContact CD2-CD2 4.32Å; L90-L190 HydrophobicContact CG-CD2 4.21Å; L94-L190 HydrophobicContact CD1-CD1 3.69Å; R180-L190 CarbonylContact C-O 3.57Å; R180-L190 WeakPolarHBondContact CA-O 3.32Å; F181-L190 HydrophobicContact CD2-CB 4.49Å; F181-L190 PolarHBondContact N-O 3.34Å; L190-W192 HydrophobicContact CD2-CE3 3.84Å; L190-W192 HydrophobicContact CD2-CZ3 3.98Å; L190-W192 HydrophobicContact CG-CE3 3.93Å; L190-W192 HydrophobicContact CG-CZ3 4.31Å
191	S	97.8	Very high	96.1	Very high	55 Å²	55	45.6 Å²	45.6	39%	0.385	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.6	172.2	-74.4	0	0	0	0	109.9	S179 R180 D188	S179-S191 CarbonylContact O-C 3.51Å; S179-S191 WeakPolarHBondContact O-CA 3.35Å; R180-S191 VanDerWaalsContact CB-OG 3.27Å; R180-S191 WeakPolarHBondContact CB-OG 3.35Å; D188-S191 PolarHBondContact OD1-OG 2.92Å; D188-S191 PolarHBondContact OD2-OG 3.37Å; D188-S191 VanDerWaalsContact OD2-OG 3.13Å
192	W	97.4	Very high	95.7	Very high	12 Å²	12	47.5 Å²	47.5	5%	0.045	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	168.1	179.1	78.4	101.8	0	0	0	112.4	L75 L90 L94 Y128 S179 F181 L190 W194	L75-W192 HydrophobicContact CD1-CH2 4.12Å; L75-W192 HydrophobicContact CD1-CZ2 3.83Å; L90-W192 HydrophobicContact CD1-CH2 3.99Å; L90-W192 HydrophobicContact CD1-CZ2 4.1Å; L90-W192 HydrophobicContact CD1-CZ3 4.36Å; L90-W192 HydrophobicContact CD2-CD2 3.92Å; L90-W192 HydrophobicContact CD2-CE3 4.43Å; L90-W192 HydrophobicContact CD2-CG 4.27Å; L90-W192 HydrophobicContact CD2-CZ2 4.02Å; L94-W192 HydrophobicContact CB-CB 4.25Å; L94-W192 HydrophobicContact CD1-CB 4.15Å; Y128-W192 HydrophobicContact CD2-CH2 4.34Å; Y128-W192 AromaticContact CE2-CH2 3.7Å; Y128-W192 HydrophobicContact CE2-CH2 3.7Å; Y128-W192 HydrophobicContact CE2-CZ2 4.31Å; Y128-W192 HydrophobicContact CE2-CZ3 4.42Å; S179-W192 VanDerWaalsContact CB-CE2 3.42Å; S179-W192 PolarHBondContact N-O 3.06Å; S179-W192 PolarHBondContact O-N 3.26Å; F181-W192 HydrophobicContact CD2-CH2 4.03Å; F181-W192 AromaticContact CD2-CZ3 3.68Å; F181-W192 HydrophobicContact CD2-CZ3 3.68Å; F181-W192 AromaticContact CE2-CH2 3.57Å; F181-W192 HydrophobicContact CE2-CH2 3.57Å; F181-W192 AromaticContact CE2-CZ3 3.72Å; F181-W192 HydrophobicContact CE2-CZ3 3.72Å; L190-W192 HydrophobicContact CD2-CE3 3.84Å; L190-W192 HydrophobicContact CD2-CZ3 3.98Å; L190-W192 HydrophobicContact CG-CE3 3.93Å; L190-W192 HydrophobicContact CG-CZ3 4.31Å; W192-W194 AromaticContact CD1-CD1 3.64Å; W192-W194 AromaticContact NE1-CD1 3.15Å; W192-W194 AromaticContact NE1-CG 3.86Å; W192-W194 AromaticContact NE1-NE1 3.67Å
193	E	96.8	Very high	94.8	Very high	54 Å²	54	56.5 Å²	56.5	25%	0.252	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.3	176.2	-53.4	-171.9	-179.4	0	0	110.3	F97 K98 I177 K178	F97-E193 WeakPolarHBondContact CB-O 3.22Å; K98-E193 HydrophobicContact CG-CB 4.14Å; I177-E193 CarbonylContact O-C 3.55Å; I177-E193 VanDerWaalsContact O-CA 3.27Å; I177-E193 WeakPolarHBondContact O-CA 3.35Å; K178-E193 HydrophobicContact CB-CG 4.37Å; K178-E193 HydrophobicContact CD-CG 4.29Å; K178-E193 WeakPolarHBondContact CD-OE1 3.39Å; K178-E193 VanDerWaalsContact CE-OE1 3.22Å; K178-E193 WeakPolarHBondContact CE-OE1 3.33Å; K178-E193 HydrophobicContact CG-CG 3.9Å; K178-E193 IonicContact NZ-OE1 2.67Å; K178-E193 PolarHBondContact NZ-OE1 3.38Å; K178-E193 IonicContact NZ-OE2 2.71Å
194	W	96.1	Very high	93.2	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.038	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	167.6	-179.4	59.7	-71.8	0	0	0	110	L88 F97 F102 I177 S179 W192 L196	L88-W194 HydrophobicContact CD1-CD2 3.96Å; L88-W194 HydrophobicContact CD1-CE3 4.28Å; L88-W194 HydrophobicContact CD1-CG 4.09Å; F97-W194 HydrophobicContact CB-CB 3.9Å; F102-W194 HydrophobicContact CD2-CE3 4.02Å; F102-W194 HydrophobicContact CD2-CZ3 4.37Å; I177-W194 HydrophobicContact CB-CD2 4.16Å; I177-W194 HydrophobicContact CB-CG 4.35Å; I177-W194 HydrophobicContact CB-CZ2 4.19Å; I177-W194 HydrophobicContact CD1-CD2 4.26Å; I177-W194 HydrophobicContact CD1-CE3 4.26Å; I177-W194 HydrophobicContact CD1-CH2 3.53Å; I177-W194 HydrophobicContact CD1-CZ2 3.51Å; I177-W194 HydrophobicContact CD1-CZ3 3.93Å; I177-W194 HydrophobicContact CG1-CZ2 4.45Å; I177-W194 HydrophobicContact CG2-CZ2 3.87Å; I177-W194 VanDerWaalsContact CG2-NE1 3.34Å; I177-W194 PolarHBondContact N-O 3.21Å; I177-W194 PolarHBondContact O-N 3.46Å; S179-W194 PolarHBondContact OG-NE1 2.57Å; W192-W194 AromaticContact CD1-CD1 3.64Å; W192-W194 AromaticContact NE1-CD1 3.15Å; W192-W194 AromaticContact NE1-CG 3.86Å; W192-W194 AromaticContact NE1-NE1 3.67Å; W194-L196 HydrophobicContact CZ3-CB 4.21Å; W194-L196 HydrophobicContact CZ3-CD1 4.2Å
195	N	94.7	Very high	93.1	Very high	33 Å²	33	63.8 Å²	63.8	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.4	-179.3	-45.8	-79.1	0	0	0	111.9	F97 K98 Q100 S101 F102 Y175 N176	F97-N195 PolarHBondContact O-ND2 2.79Å; K98-N195 VanDerWaalsContact C-ND2 3.31Å; K98-N195 PolarHBondContact O-ND2 3.41Å; Q100-N195 WeakPolarHBondContact O-CB 3.38Å; Q100-N195 PolarHBondContact O-ND2 3.11Å; S101-N195 WeakPolarHBondContact CA-O 3.42Å; F102-N195 PolarHBondContact N-O 3.37Å; Y175-N195 VanDerWaalsContact O-CA 3.31Å; Y175-N195 WeakPolarHBondContact O-CA 3.49Å; N176-N195 PolarHBondContact ND2-OD1 2.95Å
196	L	94	Very high	93	Very high	22 Å²	22	63.9 Å²	63.9	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.8	176.5	-177.6	73.1	0	0	0	108.3	F102 L104 S174 Y175 I177 W194 I198	F102-L196 HydrophobicContact CB-CD1 4.09Å; F102-L196 CarbonylContact O-C 3.59Å; F102-L196 WeakPolarHBondContact O-CA 3.44Å; L104-L196 HydrophobicContact CB-CD1 3.79Å; L104-L196 HydrophobicContact CB-CG 4.46Å; L104-L196 HydrophobicContact CD2-CD1 4.37Å; L104-L196 HydrophobicContact CD2-CD2 4.26Å; S174-L196 CarbonylContact C-O 3.57Å; S174-L196 WeakPolarHBondContact CA-O 3.36Å; Y175-L196 PolarHBondContact N-O 3.09Å; Y175-L196 PolarHBondContact O-N 3.33Å; I177-L196 HydrophobicContact CD1-CB 3.63Å; I177-L196 HydrophobicContact CD1-CD2 3.98Å; I177-L196 HydrophobicContact CD1-CG 4.42Å; W194-L196 HydrophobicContact CZ3-CB 4.21Å; W194-L196 HydrophobicContact CZ3-CD1 4.2Å; L196-I198 HydrophobicContact CD2-CG1 4.47Å
197	T	94.5	Very high	92.9	Very high	18 Å²	18	57.6 Å²	57.6	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.7	174.1	-59.7	0	0	0	0	109.4	S101 F102 V103 L104 G173 S174 K199	S101-T197 PolarHBondContact OG-N 2.72Å; S101-T197 PolarHBondContact OG-OG1 2.85Å; F102-T197 PolarHBondContact O-N 3.48Å; V103-T197 WeakPolarHBondContact CA-O 3.4Å; L104-T197 PolarHBondContact N-O 2.96Å; G173-T197 CarbonylContact O-C 3.59Å; G173-T197 WeakPolarHBondContact O-CA 3.47Å; S174-T197 PolarHBondContact OG-OG1 3.35Å; S174-T197 VanDerWaalsContact OG-OG1 3.09Å; T197-K199 HydrophobicContact CG2-CD 4.46Å; T197-K199 HydrophobicContact CG2-CG 3.89Å
198	I	94.6	Very high	92.6	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.1	175.4	-59.7	-176.2	0	0	0	109	L104 E106 P166 R172 G173 Y175 L196	L104-I198 VanDerWaalsContact O-CA 3.31Å; L104-I198 WeakPolarHBondContact O-CA 3.48Å; E106-I198 HydrophobicContact CB-CG2 3.76Å; P166-I198 HydrophobicContact CG-CD1 3.37Å; R172-I198 WeakPolarHBondContact CA-O 3.42Å; G173-I198 PolarHBondContact N-O 3.24Å; G173-I198 PolarHBondContact O-N 3.27Å; Y175-I198 HydrophobicContact CD2-CD1 4.24Å; Y175-I198 HydrophobicContact CD2-CG1 4.13Å; Y175-I198 HydrophobicContact CE2-CB 4.13Å; Y175-I198 HydrophobicContact CE2-CD1 3.67Å; Y175-I198 HydrophobicContact CE2-CG1 3.79Å; L196-I198 HydrophobicContact CD2-CG1 4.47Å
199	K	95.1	Very high	92.3	Very high	55 Å²	55	55.4 Å²	55.4	24%	0.239	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	162.7	-178.7	-64.9	-163.4	178.9	-171	0	111.7	V103 L104 K105 E106 T197 E201 D204	V103-K199 HydrophobicContact CG1-CB 4.15Å; V103-K199 HydrophobicContact CG1-CD 3.93Å; V103-K199 HydrophobicContact CG1-CG 3.99Å; L104-K199 PolarHBondContact O-N 3.24Å; K105-K199 CarbonylContact C-O 3.59Å; K105-K199 WeakPolarHBondContact CA-O 3.14Å; E106-K199 PolarHBondContact N-O 3.28Å; T197-K199 HydrophobicContact CG2-CD 4.46Å; T197-K199 HydrophobicContact CG2-CG 3.89Å; K199-E201 WeakPolarHBondContact CB-O 3.41Å; K199-D204 VanDerWaalsContact CD-C 3.47Å; K199-D204 HydrophobicContact CD-CB 4.06Å; K199-D204 WeakPolarHBondContact CD-O 3.43Å; K199-D204 WeakPolarHBondContact CE-O 3.32Å; K199-D204 PolarHBondContact NZ-O 2.67Å; K199-D204 PolarHBondContact NZ-OXT 3.3Å
200	K	94.5	Very high	92	Very high	112 Å²	112	56.4 Å²	56.4	49%	0.487	27%	0.272	S	S	.	.	S	Bend	trans	-66.4	-42.5	175.7	-171.3	-179.2	177.1	-172.2	0	111.6	K105	K105-K200 WeakPolarHBondContact CE-O 3.36Å; K105-K200 WeakPolarHBondContact CG-O 3.39Å
201	E	92.9	Very high	91.5	Very high	80 Å²	80	58.2 Å²	58.2	37%	0.374	28%	0.279	S	S	.	.	S	Bend	trans	-127.1	159.2	172.9	-62.4	-63.5	154.8	0	0	111.6	K105 K199 K203 D204	K105-E201 WeakPolarHBondContact CE-OE2 3.45Å; K105-E201 IonicContact NZ-OE1 3.76Å; K105-E201 PolarHBondContact NZ-OE1 3.36Å; K105-E201 VanDerWaalsContact NZ-OE1 3.1Å; K105-E201 IonicContact NZ-OE2 2.77Å; K105-E201 PolarHBondContact NZ-OE2 3.36Å; K199-E201 WeakPolarHBondContact CB-O 3.41Å; E201-K203 PolarHBondContact O-N 2.93Å; E201-D204 WeakPolarHBondContact CB-OD2 3.37Å; E201-D204 PolarHBondContact N-OD2 2.74Å; E201-D204 VanDerWaalsContact N-OD2 3.11Å; E201-D204 PolarHBondContact O-N 3Å
202	W	90.8	Very high	91.1	Very high	39 Å²	39	58.5 Å²	58.5	15%	0.148	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.1	-179.2	-67.8	109.7	0	0	0	114.8	C79 T81 A82 P83 L86 V103 L104 K105 V108	C79-W202 HydrophobicContact CB-CH2 4.4Å; T81-W202 PolarHBondContact O-NE1 2.8Å; T81-W202 WeakPolarHBondContact OG1-CZ2 3.27Å; A82-W202 HydrophobicContact CB-CH2 3.7Å; A82-W202 HydrophobicContact CB-CZ2 3.99Å; A82-W202 HydrophobicContact CB-CZ3 4.07Å; P83-W202 HydrophobicContact CG-CB 4.11Å; P83-W202 HydrophobicContact CG-CG 4.37Å; L86-W202 HydrophobicContact CD1-CH2 4.38Å; L86-W202 HydrophobicContact CD1-CZ3 4.01Å; V103-W202 WeakPolarHBondContact O-CZ3 3.46Å; L104-W202 HydrophobicContact CD1-CH2 3.55Å; L104-W202 HydrophobicContact CD1-CZ2 4.49Å; L104-W202 HydrophobicContact CD1-CZ3 3.98Å; K105-W202 HydrophobicContact CB-CD2 3.62Å; K105-W202 HydrophobicContact CB-CE3 4.2Å; K105-W202 HydrophobicContact CB-CG 3.98Å; K105-W202 HydrophobicContact CB-CH2 4.38Å; K105-W202 HydrophobicContact CB-CZ2 3.79Å; K105-W202 HydrophobicContact CD-CG 4.49Å; V108-W202 HydrophobicContact CB-CZ2 4.47Å; V108-W202 HydrophobicContact CG1-CZ2 4.13Å; V108-W202 HydrophobicContact CG2-CH2 4.23Å; V108-W202 HydrophobicContact CG2-CZ2 4.01Å
203	K	77.5	Confident	90.5	Very high	195 Å²	195	62.3 Å²	62.3	85%	0.848	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	0.2	-173.3	-66.8	-174.5	178.6	-179.3	0	114	E201	E201-K203 PolarHBondContact O-N 2.93Å
204	D	64.8	Low	90	Very high	124 Å²	124	63.1 Å²	63.1	66%	0.663	29%	0.294	S	S	*	.			trans	-70.5	0	173.1	-66	-20.1	0	0	0	110.6	K199 E201	K199-D204 VanDerWaalsContact CD-C 3.47Å; K199-D204 HydrophobicContact CD-CB 4.06Å; K199-D204 WeakPolarHBondContact CD-O 3.43Å; K199-D204 WeakPolarHBondContact CE-O 3.32Å; K199-D204 PolarHBondContact NZ-O 2.67Å; K199-D204 PolarHBondContact NZ-OXT 3.3Å; E201-D204 WeakPolarHBondContact CB-OD2 3.37Å; E201-D204 PolarHBondContact N-OD2 2.74Å; E201-D204 VanDerWaalsContact N-OD2 3.11Å; E201-D204 PolarHBondContact O-N 3Å

Retrieved 204 of 204 residues in 521 ms (Link to these results)

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