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T-cell-specific surface glycoprotein CD28

Receptor that plays a role in T-cell activation, proliferation, survival and the maintenance of immune homeostasis. Functions not only as an amplifier of TCR signals but delivers unique signals that control intracellular biochemical events that alter the gene expression program of T-cells. Stimulation upon engagement of its cognate ligands CD80 or CD86 increases proliferation and expression of various cytokines in particular IL2 production in both CD4(+) and CD8(+) T-cell subsets. Mechanistically, ligation induces recruitment of protein kinase C-theta/PRKCQ and GRB2 leading to NF-kappa-B activation via both PI3K/Akt-dependent and -independent pathways. In conjunction with TCR/CD3 ligation and CD40L costimulation, enhances the production of IL4 and IL10 in T-cells.

AlphaFold DB (A0A2K5ZG55), UniProt , Accession A0A096NFI1, Species PAPAN (Papio anubis, Olive baboon), Gene CD28, Length 220 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	52.2	Low	52.8	Low	226 Å²	226	154.5 Å²	154.5	100%	1.113	80%	0.795	S	S	*	*				0	3.5	0	-65	-52.2	-170.4	0	0	115
2	L	50.9	Low	52.6	Low	146 Å²	146	150.7 Å²	150.7	76%	0.764	79%	0.787	S	S	*	*			trans	-104.1	7.6	179.9	-155	74.6	0	0	0	114.3
3	R	48.5	Very low	52	Low	237 Å²	237	146.5 Å²	146.5	89%	0.894	78%	0.779	S	S	*	*	S	Bend	trans	-103.3	-9.8	178.4	-75.1	-160.7	174.8	-153.6	0.6	114.5
4	L	51.7	Low	51.7	Low	148 Å²	148	146.7 Å²	146.7	78%	0.775	78%	0.778	S	S	*	*	S	Bend	trans	-86.2	-19.9	179.3	-128.8	77.5	0	0	0	113.3
5	L	52.8	Low	51.3	Low	121 Å²	121	147.9 Å²	147.9	63%	0.634	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-83.2	-14.6	-176.3	-75	161.4	0	0	0	114.1	A7	L5-A7 VanDerWaalsContact C-N 3.34Å
6	L	51.8	Low	50.7	Low	147 Å²	147	146.9 Å²	146.9	77%	0.77	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-82.1	-10.1	179.4	-97.7	139.2	0	0	0	113.8
7	A	55.2	Low	50.6	Low	82 Å²	82	145.3 Å²	145.3	68%	0.678	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-90.3	-10.1	-178	0	0	0	0	0	114.3	L5	L5-A7 VanDerWaalsContact C-N 3.34Å
8	L	52.1	Low	51	Low	136 Å²	136	139.3 Å²	139.3	71%	0.712	76%	0.755	S	S	*	*	S	Bend	trans	-91.3	-1.3	-174.6	-98.7	99	0	0	0	115.8
9	N	52.3	Low	52	Low	141 Å²	141	139.5 Å²	139.5	75%	0.754	76%	0.755	S	S	*	*	S	Bend	trans	-99.8	19.4	-175.2	-70.5	-52.3	0	0	0	115
10	L	55.8	Low	53.7	Low	157 Å²	157	139.1 Å²	139.1	82%	0.822	75%	0.746	S	S	*	*			trans	-120.9	53.4	176	-73.4	163.2	0	0	0	110.7	P12	L10-P12 WeakPolarHBondContact O-CD 3.37Å
11	L	57.3	Low	55.4	Low	159 Å²	159	132.7 Å²	132.7	83%	0.832	71%	0.712	S	S	*	*			trans	-87.9	107.5	154	-73	165	0	0	0	106.1	S13	L11-S13 PolarHBondContact O-N 3.08Å
12	P	51.1	Low	57.4	Low	108 Å²	108	126.2 Å²	126.2	70%	0.701	68%	0.681	S	S	*	*			trans	-58	126	163.9	25.8	-30.6	0	0	0	106.1	L10 I14	L10-P12 WeakPolarHBondContact O-CD 3.37Å; P12-I14 VanDerWaalsContact C-N 3.33Å; P12-I14 PolarHBondContact O-N 2.98Å
13	S	43.9	Very low	59.5	Low	96 Å²	96	120.3 Å²	120.3	67%	0.671	65%	0.651	S	S	*	*			trans	-54.9	104.3	168.9	57.5	0	0	0	0	106.7	L11 Q15	L11-S13 PolarHBondContact O-N 3.08Å; S13-Q15 PolarHBondContact O-N 3.25Å
14	I	47.8	Very low	61.7	Low	150 Å²	150	116.3 Å²	116.3	77%	0.769	64%	0.64	S	S	*	*			trans	-62.3	97	164.1	-63.7	171.7	0	0	0	103.1	P12 V16	P12-I14 VanDerWaalsContact C-N 3.33Å; P12-I14 PolarHBondContact O-N 2.98Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 2.83Å
15	Q	45.3	Very low	63.7	Low	164 Å²	164	110.9 Å²	110.9	77%	0.766	61%	0.611	S	S	*	*			trans	-61.4	106.7	167.2	-69.7	-162.9	-7.1	0	0	104.3	S13 T17	S13-Q15 PolarHBondContact O-N 3.25Å; Q15-T17 VanDerWaalsContact C-N 3.27Å; Q15-T17 PolarHBondContact O-N 3.49Å
16	V	41.7	Very low	65.8	Low	132 Å²	132	107.6 Å²	107.6	80%	0.8	60%	0.598	S	S	*	*			trans	-56.4	103.3	165.8	175.1	0	0	0	0	104.5	I14 G18	I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 2.83Å; V16-G18 PolarHBondContact O-N 3.09Å
17	T	49.1	Very low	67.8	Low	120 Å²	120	105.8 Å²	105.8	74%	0.736	60%	0.595	S	S	*	*			trans	-63.1	91.6	172.9	-30.1	0	0	0	0	105.2	Q15 N19	Q15-T17 VanDerWaalsContact C-N 3.27Å; Q15-T17 PolarHBondContact O-N 3.49Å; T17-N19 PolarHBondContact O-N 3.21Å
18	G	57.7	Low	69.7	Low	38 Å²	38	106.9 Å²	106.9	39%	0.392	59%	0.587	S	S	.	*			trans	-50.6	143.6	170.5	0	0	0	0	0	107.9	V16 K20	V16-G18 PolarHBondContact O-N 3.09Å; G18-K20 WeakPolarHBondContact O-CG 3.33Å; G18-K20 PolarHBondContact O-N 2.86Å
19	N	71.4	Confident	71.8	Confident	143 Å²	143	102 Å²	102	77%	0.765	56%	0.562	S	S	*	*			trans	-57.6	82.9	-177.1	-66.3	-22.6	0	0	0	110.8	T17 L123	T17-N19 PolarHBondContact O-N 3.21Å; N19-L123 HydrophobicContact CB-CD2 4.43Å
20	K	85.2	Confident	73.8	Confident	130 Å²	130	97 Å²	97	57%	0.565	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-100.2	141.2	-179.5	-72.8	-177.9	-177.9	-177.8	0	109.1	G18 L22 E126	G18-K20 WeakPolarHBondContact O-CG 3.33Å; G18-K20 PolarHBondContact O-N 2.86Å; K20-L22 PolarHBondContact O-N 3.03Å; K20-E126 HydrophobicContact CB-CB 4.44Å; K20-E126 HydrophobicContact CD-CB 4.4Å
21	I	90	Very high	75.7	Confident	6 Å²	6	89.7 Å²	89.7	3%	0.031	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-76.7	126.5	178.4	-59	171.6	0	0	0	108.4	Y42 Y44 I114 V116 L123 D124 N125 E126	I21-Y42 HydrophobicContact CG2-CD1 4.16Å; I21-Y42 HydrophobicContact CG2-CG 4.49Å; I21-Y44 HydrophobicContact CD1-CD1 4.27Å; I21-Y44 HydrophobicContact CD1-CG 4.05Å; I21-Y44 HydrophobicContact CG1-CD2 4.41Å; I21-Y44 HydrophobicContact CG1-CG 4.21Å; I21-I114 HydrophobicContact CB-CG2 4.4Å; I21-I114 HydrophobicContact CD1-CG2 4.4Å; I21-I114 HydrophobicContact CG2-CG2 4.13Å; I21-V116 HydrophobicContact CD1-CG2 3.74Å; I21-L123 HydrophobicContact CD1-CB 3.96Å; I21-L123 HydrophobicContact CG1-CB 4.36Å; I21-D124 PolarHBondContact N-O 2.93Å; I21-D124 VanDerWaalsContact N-O 3.13Å; I21-N125 HydrophobicContact CB-CB 4.16Å; I21-N125 WeakPolarHBondContact O-CA 2.93Å; I21-N125 WeakPolarHBondContact O-CB 3.47Å; I21-E126 PolarHBondContact O-N 3.15Å
22	L	92.9	Very high	77.1	Confident	90 Å²	90	90.3 Å²	90.3	47%	0.471	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-81.5	136.6	173.3	-63	174.7	0	0	0	110.2	K20 Y42 S43	K20-L22 PolarHBondContact O-N 3.03Å; L22-Y42 WeakPolarHBondContact O-CA 3.23Å; L22-S43 PolarHBondContact O-N 3.41Å
23	V	94.9	Very high	78.9	Confident	21 Å²	21	91.2 Å²	91.2	13%	0.127	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.3	177.6	-166.2	0	0	0	0	110.1	Q25 C40 Y42 C112 N125	V23-Q25 HydrophobicContact CG1-CG 3.94Å; V23-C40 HydrophobicContact CG1-CB 4.22Å; V23-Y42 HydrophobicContact CB-CD1 4.23Å; V23-Y42 HydrophobicContact CB-CE1 4.17Å; V23-Y42 HydrophobicContact CG1-CD1 3.94Å; V23-Y42 HydrophobicContact CG1-CE1 3.57Å; V23-Y42 HydrophobicContact CG2-CD1 3.74Å; V23-Y42 HydrophobicContact CG2-CE1 3.66Å; V23-C112 HydrophobicContact CG1-CB 3.97Å; V23-N125 HydrophobicContact CG2-CB 3.54Å; V23-N125 VanDerWaalsContact CG2-ND2 3.35Å; V23-N125 WeakPolarHBondContact CG2-ND2 3.34Å
24	K	94.5	Very high	81.2	Confident	153 Å²	153	88.9 Å²	88.9	67%	0.665	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.9	171.8	-65.3	-176.7	179.5	-179.5	0	109.2	K41	K24-K41 HydrophobicContact CB-CB 4.41Å; K24-K41 PolarHBondContact N-O 2.99Å; K24-K41 PolarHBondContact O-N 2.86Å
25	Q	95.6	Very high	83.4	Confident	35 Å²	35	83.4 Å²	83.4	16%	0.164	45%	0.447	C	S	.	.			trans	-129.3	158.7	178.1	-51.8	-178.8	-92.4	0	0	110.2	V23 C40 C112 S128 T131	V23-Q25 HydrophobicContact CG1-CG 3.94Å; Q25-C40 PolarHBondContact NE2-SG 3.47Å; Q25-C112 HydrophobicContact CG-CB 4.42Å; Q25-C112 PolarHBondContact NE2-SG 3.46Å; Q25-C112 VanDerWaalsContact NE2-SG 3.41Å; Q25-S128 PolarHBondContact OE1-OG 3.19Å; Q25-T131 VanDerWaalsContact CB-OG1 3.29Å; Q25-T131 WeakPolarHBondContact CB-OG1 3.4Å
26	S	95.1	Very high	85.8	Confident	52 Å²	52	76 Å²	76	36%	0.364	41%	0.413	S	S	.	.			trans	-66	140.3	169.7	-59.3	0	0	0	0	110	M28 T131	S26-M28 VanDerWaalsContact C-N 3.35Å; S26-M28 PolarHBondContact O-N 3.46Å; S26-T131 WeakPolarHBondContact O-CA 3.3Å; S26-T131 WeakPolarHBondContact O-CB 3.38Å; S26-T131 WeakPolarHBondContact O-CG2 3.09Å; S26-T131 PolarHBondContact O-OG1 3.16Å
27	P	94.9	Very high	88.4	Confident	108 Å²	108	74.4 Å²	74.4	70%	0.701	40%	0.4	S	S	*	.	S	Bend	trans	-68.7	-35.4	-178.7	26	-33.6	0	0	0	112.4	I132	P27-I132 PolarHBondContact O-N 3.12Å
28	M	95.4	Very high	90.7	Very high	105 Å²	105	68.7 Å²	68.7	52%	0.517	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	140.6	-179.1	-175.1	-177.3	179.2	0	0	110.1	S26 V30 I132 H134	S26-M28 VanDerWaalsContact C-N 3.35Å; S26-M28 PolarHBondContact O-N 3.46Å; M28-V30 HydrophobicContact CE-CG2 4.19Å; M28-I132 CarbonylContact C-O 3.47Å; M28-I132 VanDerWaalsContact CA-O 3.29Å; M28-I132 WeakPolarHBondContact CA-O 3.45Å; M28-H134 HydrophobicContact CE-CB 3.82Å
29	L	96.3	Very high	92.5	Very high	35 Å²	35	69.2 Å²	69.2	18%	0.183	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.1	171.1	-66	173.4	0	0	0	109.2	V36 L38 T131 I132 I133 H134	L29-V36 HydrophobicContact CB-CG2 3.72Å; L29-V36 HydrophobicContact CD1-CG2 3.94Å; L29-V36 HydrophobicContact CG-CG2 4.39Å; L29-L38 HydrophobicContact CD1-CB 4.02Å; L29-L38 HydrophobicContact CD1-CD1 4.41Å; L29-L38 HydrophobicContact CD1-CG 4.18Å; L29-T131 HydrophobicContact CB-CG2 4.23Å; L29-T131 HydrophobicContact CD1-CG2 3.77Å; L29-T131 HydrophobicContact CG-CG2 3.74Å; L29-I132 PolarHBondContact N-O 2.85Å; L29-I133 CarbonylContact O-C 3.52Å; L29-I133 WeakPolarHBondContact O-CA 3.5Å; L29-H134 PolarHBondContact O-N 2.69Å
30	V	94.8	Very high	93.6	Very high	36 Å²	36	62.4 Å²	62.4	22%	0.218	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.7	172.7	179.7	0	0	0	0	107.4	M28 Y32 H134 K136	M28-V30 HydrophobicContact CE-CG2 4.19Å; V30-Y32 HydrophobicContact CB-CE2 4.29Å; V30-Y32 HydrophobicContact CG1-CE2 4.5Å; V30-Y32 VanDerWaalsContact O-CD2 3.3Å; V30-Y32 WeakPolarHBondContact O-CD2 3.35Å; V30-Y32 WeakPolarHBondContact O-CE2 3.45Å; V30-Y32 PolarHBondContact O-N 3.44Å; V30-H134 WeakPolarHBondContact CA-O 3.2Å; V30-K136 HydrophobicContact CG1-CD 3.71Å; V30-K136 HydrophobicContact CG1-CG 3.95Å
31	A	93.9	Very high	94.1	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.1	175.3	0	0	0	0	0	109.5	A35 V36 L102 H134 V135	A31-A35 CarbonylContact C-O 3.55Å; A31-A35 WeakPolarHBondContact CA-O 3.42Å; A31-V36 HydrophobicContact CB-CB 4.11Å; A31-L102 HydrophobicContact CB-CD1 4.37Å; A31-H134 PolarHBondContact N-O 3.44Å; A31-V135 HydrophobicContact CB-CB 4.3Å; A31-V135 HydrophobicContact CB-CG1 4.26Å; A31-V135 HydrophobicContact CB-CG2 4Å
32	Y	87.9	Confident	94.3	Very high	171 Å²	171	61.3 Å²	61.3	67%	0.671	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-105.1	133.5	175.1	-67.3	-82.9	0	0	0	108.2	V30 N34 A35	V30-Y32 HydrophobicContact CB-CE2 4.29Å; V30-Y32 HydrophobicContact CG1-CE2 4.5Å; V30-Y32 VanDerWaalsContact O-CD2 3.3Å; V30-Y32 WeakPolarHBondContact O-CD2 3.35Å; V30-Y32 WeakPolarHBondContact O-CE2 3.45Å; V30-Y32 PolarHBondContact O-N 3.44Å; Y32-N34 PolarHBondContact O-N 2.97Å; Y32-N34 VanDerWaalsContact O-N 3.16Å; Y32-A35 PolarHBondContact N-O 3.4Å; Y32-A35 PolarHBondContact O-N 3.43Å; Y32-A35 VanDerWaalsContact O-O 3.06Å
33	D	88.6	Confident	94.2	Very high	127 Å²	127	61.4 Å²	61.4	68%	0.679	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	41.3	-175	-75.3	-49.5	0	0	0	113.8	A35 K138	D33-A35 PolarHBondContact O-N 3.08Å; D33-A35 VanDerWaalsContact O-N 3.12Å; D33-K138 WeakPolarHBondContact OD1-CE 3.28Å; D33-K138 IonicContact OD1-NZ 2.9Å; D33-K138 PolarHBondContact OD1-NZ 2.65Å
34	N	92.3	Very high	93.8	Very high	47 Å²	47	64 Å²	64	25%	0.251	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	22.2	-179.5	-60.3	19.2	0	0	0	113.4	Y32 Q100 N101 L102	Y32-N34 PolarHBondContact O-N 2.97Å; Y32-N34 VanDerWaalsContact O-N 3.16Å; N34-Q100 CarbonylContact O-C 3.58Å; N34-N101 PolarHBondContact O-N 3.32Å; N34-N101 VanDerWaalsContact O-N 3.13Å; N34-L102 VanDerWaalsContact CB-O 3.25Å; N34-L102 WeakPolarHBondContact CB-O 3.36Å; N34-L102 VanDerWaalsContact CG-O 3.29Å; N34-L102 PolarHBondContact ND2-O 3.35Å; N34-L102 VanDerWaalsContact ND2-O 3.09Å; N34-L102 WeakPolarHBondContact O-CB 3.25Å; N34-L102 PolarHBondContact O-N 3.07Å
35	A	94.6	Very high	93.4	Very high	35 Å²	35	60.7 Å²	60.7	29%	0.289	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-126.6	148.3	176.4	0	0	0	0	0	111.3	A31 Y32 D33 L99	A31-A35 CarbonylContact C-O 3.55Å; A31-A35 WeakPolarHBondContact CA-O 3.42Å; Y32-A35 PolarHBondContact N-O 3.4Å; Y32-A35 PolarHBondContact O-N 3.43Å; Y32-A35 VanDerWaalsContact O-O 3.06Å; D33-A35 PolarHBondContact O-N 3.08Å; D33-A35 VanDerWaalsContact O-N 3.12Å; A35-L99 CarbonylContact C-O 3.58Å; A35-L99 WeakPolarHBondContact CA-O 3.19Å
36	V	96.1	Very high	92.9	Very high	10 Å²	10	59.1 Å²	59.1	6%	0.061	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.1	176.5	71.1	0	0	0	0	111.1	L29 A31 L99 L102 I133	L29-V36 HydrophobicContact CB-CG2 3.72Å; L29-V36 HydrophobicContact CD1-CG2 3.94Å; L29-V36 HydrophobicContact CG-CG2 4.39Å; A31-V36 HydrophobicContact CB-CB 4.11Å; V36-L99 HydrophobicContact CG1-CB 3.99Å; V36-L99 HydrophobicContact CG1-CD1 4.09Å; V36-L99 HydrophobicContact CG1-CG 4.44Å; V36-L99 PolarHBondContact N-O 3.37Å; V36-L99 PolarHBondContact O-N 3.41Å; V36-L102 HydrophobicContact CB-CD1 4.41Å; V36-L102 HydrophobicContact CG1-CD1 3.56Å; V36-I133 HydrophobicContact CB-CG2 4.47Å; V36-I133 HydrophobicContact CG1-CD1 4.01Å; V36-I133 HydrophobicContact CG1-CG2 3.93Å; V36-I133 HydrophobicContact CG2-CG2 4.49Å
37	N	96.3	Very high	92.1	Very high	97 Å²	97	62.4 Å²	62.4	52%	0.519	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	105.5	177.1	-56.9	-13.3	0	0	0	107.8	T96 F97 Y98	N37-T96 HydrophobicContact CB-CG2 4.32Å; N37-F97 WeakPolarHBondContact CA-O 3.31Å; N37-Y98 HydrophobicContact CB-CD1 4.29Å; N37-Y98 HydrophobicContact CB-CE1 4.27Å; N37-Y98 WeakPolarHBondContact OD1-CD1 3.49Å
38	L	95.9	Very high	91.5	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.7	179.5	-177	151.3	0	0	0	108.6	L29 C40 L55 T96 F97 C112 T131 I133	L29-L38 HydrophobicContact CD1-CB 4.02Å; L29-L38 HydrophobicContact CD1-CD1 4.41Å; L29-L38 HydrophobicContact CD1-CG 4.18Å; L38-C40 WeakPolarHBondContact CD2-SG 3.35Å; L38-L55 HydrophobicContact CD1-CD1 4.2Å; L38-L55 HydrophobicContact CD2-CD1 3.78Å; L38-T96 CarbonylContact O-C 3.56Å; L38-T96 WeakPolarHBondContact O-CA 3.08Å; L38-F97 HydrophobicContact CD2-CD2 4Å; L38-F97 PolarHBondContact N-O 3.01Å; L38-F97 PolarHBondContact O-N 3.36Å; L38-C112 VanDerWaalsContact CD2-SG 3.56Å; L38-T131 HydrophobicContact CD1-CG2 4.09Å; L38-I133 HydrophobicContact CD1-CD1 3.69Å; L38-I133 HydrophobicContact CD1-CG1 4.21Å
39	S	96.1	Very high	91.2	Very high	49 Å²	49	58.8 Å²	58.8	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.6	178	-161	0	0	0	0	110.8	T96	S39-T96 PolarHBondContact OG-OG1 3Å
40	C	95.4	Very high	91	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.3	177.1	-70.3	0	0	0	0	109	V23 Q25 L38 Y42 S94 V95 C112	V23-C40 HydrophobicContact CG1-CB 4.22Å; Q25-C40 PolarHBondContact NE2-SG 3.47Å; L38-C40 WeakPolarHBondContact CD2-SG 3.35Å; C40-Y42 HydrophobicContact CB-CE1 4.36Å; C40-Y42 HydrophobicContact CB-CE2 4.01Å; C40-Y42 WeakPolarHBondContact CB-OH 3.26Å; C40-Y42 WeakPolarHBondContact O-CD2 3.32Å; C40-Y42 VanDerWaalsContact O-CE2 3.3Å; C40-Y42 WeakPolarHBondContact O-CE2 3.33Å; C40-S94 CarbonylContact O-C 3.6Å; C40-S94 WeakPolarHBondContact O-CA 2.96Å; C40-S94 WeakPolarHBondContact O-CB 3.39Å; C40-V95 PolarHBondContact N-O 3.41Å; C40-V95 PolarHBondContact O-N 2.92Å; C40-C112 HydrophobicContact CB-CB 3.66Å; C40-C112 WeakPolarHBondContact CB-SG 3.41Å; C40-C112 WeakPolarHBondContact SG-CB 3.33Å; C40-C112 CovalentContact SG-SG 2Å; C40-C112 PolarHBondContact SG-SG 2.58Å
41	K	95.2	Very high	90.9	Very high	111 Å²	111	58 Å²	58	48%	0.483	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.8	178	-174.6	172.4	-178.2	172.2	0	109.5	K24 E93	K24-K41 HydrophobicContact CB-CB 4.41Å; K24-K41 PolarHBondContact N-O 2.99Å; K24-K41 PolarHBondContact O-N 2.86Å; K41-E93 CarbonylContact C-O 3.56Å; K41-E93 WeakPolarHBondContact CA-O 3.23Å; K41-E93 VanDerWaalsContact CE-OE2 3.29Å; K41-E93 WeakPolarHBondContact CE-OE2 3.35Å; K41-E93 IonicContact NZ-OE2 2.65Å
42	Y	93.2	Very high	91	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.3	-178.1	-57.9	-72.7	0	0	0	110.1	I21 L22 V23 C40 Y44 L46 E93 V95 I114	I21-Y42 HydrophobicContact CG2-CD1 4.16Å; I21-Y42 HydrophobicContact CG2-CG 4.49Å; L22-Y42 WeakPolarHBondContact O-CA 3.23Å; V23-Y42 HydrophobicContact CB-CD1 4.23Å; V23-Y42 HydrophobicContact CB-CE1 4.17Å; V23-Y42 HydrophobicContact CG1-CD1 3.94Å; V23-Y42 HydrophobicContact CG1-CE1 3.57Å; V23-Y42 HydrophobicContact CG2-CD1 3.74Å; V23-Y42 HydrophobicContact CG2-CE1 3.66Å; C40-Y42 HydrophobicContact CB-CE1 4.36Å; C40-Y42 HydrophobicContact CB-CE2 4.01Å; C40-Y42 WeakPolarHBondContact CB-OH 3.26Å; C40-Y42 WeakPolarHBondContact O-CD2 3.32Å; C40-Y42 VanDerWaalsContact O-CE2 3.3Å; C40-Y42 WeakPolarHBondContact O-CE2 3.33Å; Y42-Y44 PolarHBondContact O-N 3.24Å; Y42-Y44 VanDerWaalsContact O-N 3.09Å; Y42-L46 HydrophobicContact CD2-CD1 3.48Å; Y42-L46 VanDerWaalsContact CD2-CD1 3.48Å; Y42-L46 HydrophobicContact CE2-CD1 3.96Å; Y42-L46 HydrophobicContact CG-CD1 4.34Å; Y42-E93 PolarHBondContact N-O 3.29Å; Y42-V95 HydrophobicContact CE2-CB 3.98Å; Y42-V95 HydrophobicContact CE2-CG2 3.82Å; Y42-I114 HydrophobicContact CD1-CB 4.1Å; Y42-I114 HydrophobicContact CD1-CG2 3.41Å; Y42-I114 VanDerWaalsContact CD1-CG2 3.41Å; Y42-I114 HydrophobicContact CE1-CB 3.61Å; Y42-I114 HydrophobicContact CE1-CG1 4.43Å; Y42-I114 HydrophobicContact CE1-CG2 3.28Å; Y42-I114 HydrophobicContact CG-CG2 4.27Å
43	S	90.8	Very high	91.3	Very high	91 Å²	91	52 Å²	52	64%	0.636	27%	0.272	S	S	*	.	S	Bend	trans	-78.3	25.2	171	-169.4	0	0	0	0	112.5	L22	L22-S43 PolarHBondContact O-N 3.41Å
44	Y	87.1	Confident	91.6	Very high	75 Å²	75	46 Å²	46	29%	0.294	24%	0.239	S	C	.	.	S	Bend	trans	-142.4	137.7	-175.6	-156.5	-98.7	0	0	0	109.3	I21 Y42 L46 V116 L123	I21-Y44 HydrophobicContact CD1-CD1 4.27Å; I21-Y44 HydrophobicContact CD1-CG 4.05Å; I21-Y44 HydrophobicContact CG1-CD2 4.41Å; I21-Y44 HydrophobicContact CG1-CG 4.21Å; Y42-Y44 PolarHBondContact O-N 3.24Å; Y42-Y44 VanDerWaalsContact O-N 3.09Å; Y44-L46 PolarHBondContact O-N 2.9Å; Y44-V116 HydrophobicContact CD1-CG2 4.41Å; Y44-L123 HydrophobicContact CD2-CD1 4.44Å; Y44-L123 HydrophobicContact CE1-CD1 4.3Å; Y44-L123 HydrophobicContact CE2-CD1 3.77Å
45	N	86.8	Confident	91.9	Very high	84 Å²	84	43.7 Å²	43.7	45%	0.449	23%	0.228	S	C	.	.			trans	-78.5	119.4	177.9	-171	-10.4	0	0	0	109.4	F47 N92	N45-F47 WeakPolarHBondContact OD1-CB 3.34Å; N45-F47 PolarHBondContact OD1-N 2.68Å; N45-N92 PolarHBondContact OD1-O 2.84Å
46	L	84.6	Confident	91.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.22	C	C	.	.			trans	-89.5	-13.8	-178.7	-69.5	164	0	0	0	112.2	Y42 Y44 S48 R49 F51 L90 N92 V95 I114 V116	Y42-L46 HydrophobicContact CD2-CD1 3.48Å; Y42-L46 VanDerWaalsContact CD2-CD1 3.48Å; Y42-L46 HydrophobicContact CE2-CD1 3.96Å; Y42-L46 HydrophobicContact CG-CD1 4.34Å; Y44-L46 PolarHBondContact O-N 2.9Å; L46-S48 PolarHBondContact O-N 3.49Å; L46-R49 PolarHBondContact O-N 2.91Å; L46-F51 HydrophobicContact CB-CD1 4.2Å; L46-F51 HydrophobicContact CB-CE1 4.1Å; L46-F51 HydrophobicContact CD2-CB 4.02Å; L46-F51 HydrophobicContact CD2-CD1 3.9Å; L46-F51 HydrophobicContact CD2-CD2 4.13Å; L46-F51 HydrophobicContact CD2-CE1 4.45Å; L46-F51 HydrophobicContact CD2-CG 3.73Å; L46-L90 HydrophobicContact CB-CD1 3.98Å; L46-L90 HydrophobicContact CD1-CD1 4.13Å; L46-N92 PolarHBondContact N-O 2.99Å; L46-V95 HydrophobicContact CD1-CG2 3.72Å; L46-I114 HydrophobicContact CD2-CD1 3.75Å; L46-I114 HydrophobicContact CD2-CG1 3.93Å; L46-V116 HydrophobicContact CD2-CG2 4.42Å
47	F	78.9	Confident	91.8	Very high	121 Å²	121	44.7 Å²	44.7	53%	0.531	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	129	178.6	-159.2	-99.3	0	0	0	109.5	N45	N45-F47 WeakPolarHBondContact OD1-CB 3.34Å; N45-F47 PolarHBondContact OD1-N 2.68Å
48	S	81.8	Confident	91.7	Very high	61 Å²	61	40.7 Å²	40.7	43%	0.427	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	21.9	-176.5	74.5	0	0	0	0	117.7	L46 Y72	L46-S48 PolarHBondContact O-N 3.49Å; S48-Y72 VanDerWaalsContact CA-CD2 3.47Å; S48-Y72 VanDerWaalsContact CB-CD2 3.48Å
49	R	88.3	Confident	91.4	Very high	76 Å²	76	46.7 Å²	46.7	29%	0.287	24%	0.238	S	C	.	.	S	Bend	trans	-113.7	156	176	-57.3	-59.7	-164.8	-157.3	8.3	111.4	L46 V116 Y118	L46-R49 PolarHBondContact O-N 2.91Å; R49-V116 HydrophobicContact CB-CG1 4.3Å; R49-Y118 WeakPolarHBondContact CA-O 3.37Å
50	E	92.9	Very high	91.2	Very high	52 Å²	52	50.9 Å²	50.9	24%	0.243	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.5	164	-163.4	176	133.7	0	0	108.3	Y69 G70 N71 M117 Y118	E50-Y69 HydrophobicContact CG-CE2 3.95Å; E50-Y69 WeakPolarHBondContact CG-OH 3.44Å; E50-Y69 PolarHBondContact OE1-OH 2.87Å; E50-G70 WeakPolarHBondContact CA-O 3.29Å; E50-N71 HydrophobicContact CG-CB 4.44Å; E50-N71 PolarHBondContact OE2-ND2 2.96Å; E50-M117 PolarHBondContact O-N 3.26Å; E50-Y118 PolarHBondContact N-O 3.17Å; E50-Y118 PolarHBondContact O-N 2.9Å
51	F	93.1	Very high	90.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.2	-175.2	70.8	-94	0	0	0	111.7	L46 A53 G70 L76 L90 V95 I114 E115 V116	L46-F51 HydrophobicContact CB-CD1 4.2Å; L46-F51 HydrophobicContact CB-CE1 4.1Å; L46-F51 HydrophobicContact CD2-CB 4.02Å; L46-F51 HydrophobicContact CD2-CD1 3.9Å; L46-F51 HydrophobicContact CD2-CD2 4.13Å; L46-F51 HydrophobicContact CD2-CE1 4.45Å; L46-F51 HydrophobicContact CD2-CG 3.73Å; F51-A53 HydrophobicContact CD2-CB 4.24Å; F51-A53 HydrophobicContact CE2-CB 4.22Å; F51-G70 PolarHBondContact N-O 3.27Å; F51-G70 PolarHBondContact O-N 2.83Å; F51-L76 HydrophobicContact CZ-CD1 4.14Å; F51-L90 HydrophobicContact CE1-CD1 3.97Å; F51-L90 HydrophobicContact CE1-CD2 3.77Å; F51-L90 HydrophobicContact CE2-CD1 4.3Å; F51-L90 HydrophobicContact CZ-CD1 3.47Å; F51-L90 VanDerWaalsContact CZ-CD1 3.47Å; F51-L90 HydrophobicContact CZ-CD2 3.77Å; F51-L90 HydrophobicContact CZ-CG 4.18Å; F51-V95 HydrophobicContact CE2-CG2 4.22Å; F51-I114 HydrophobicContact CB-CD1 3.95Å; F51-I114 HydrophobicContact CD2-CD1 3.52Å; F51-I114 HydrophobicContact CE2-CD1 4.42Å; F51-I114 HydrophobicContact CG-CD1 4.04Å; F51-E115 CarbonylContact C-O 3.59Å; F51-E115 VanDerWaalsContact CA-O 3.25Å; F51-E115 WeakPolarHBondContact CA-O 3.24Å; F51-V116 HydrophobicContact CB-CG2 4.31Å
52	R	94.6	Very high	90.6	Very high	49 Å²	49	51.8 Å²	51.8	19%	0.185	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	103.6	175.1	179.8	177.6	-178.9	-98.4	-9.2	108.2	E64 V67 E115	R52-E64 IonicContact CZ-OE1 2.83Å; R52-E64 IonicContact NH2-OE1 3.84Å; R52-E64 PolarHBondContact NH2-OE1 3.49Å; R52-E64 IonicContact NH2-OE2 3.67Å; R52-V67 HydrophobicContact CG-CG1 4.04Å; R52-E115 HydrophobicContact CB-CB 4.35Å; R52-E115 IonicContact CZ-OE2 3.54Å; R52-E115 PolarHBondContact N-O 2.81Å; R52-E115 IonicContact NH1-OE2 2.69Å; R52-E115 PolarHBondContact NH1-OE2 2.67Å; R52-E115 PolarHBondContact O-N 3.39Å
53	A	94.9	Very high	90.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.1	171.6	0	0	0	0	0	108.9	F51 V67 V68 V95 F97 K113 I114	F51-A53 HydrophobicContact CD2-CB 4.24Å; F51-A53 HydrophobicContact CE2-CB 4.22Å; A53-V67 CarbonylContact O-C 3.55Å; A53-V67 WeakPolarHBondContact O-CA 3.49Å; A53-V68 HydrophobicContact CB-CB 4.23Å; A53-V68 PolarHBondContact N-O 3.48Å; A53-V68 PolarHBondContact O-N 3.31Å; A53-V95 HydrophobicContact CB-CB 4.44Å; A53-V95 HydrophobicContact CB-CG1 4.14Å; A53-V95 HydrophobicContact CB-CG2 4.11Å; A53-F97 HydrophobicContact CB-CZ 4Å; A53-K113 CarbonylContact C-O 3.55Å; A53-K113 WeakPolarHBondContact CA-O 3.46Å; A53-I114 HydrophobicContact CB-CD1 3.72Å
54	S	95.7	Very high	90.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.2	179.4	44.7	0	0	0	0	110.6	H56 C66 K113	S54-H56 PolarHBondContact OG-NE2 3.33Å; S54-C66 CarbonylContact C-O 3.56Å; S54-C66 WeakPolarHBondContact CA-O 3.32Å; S54-K113 PolarHBondContact N-O 3.02Å; S54-K113 PolarHBondContact O-N 2.87Å; S54-K113 WeakPolarHBondContact OG-CB 3.23Å
55	L	96.7	Very high	91.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.6	175.8	-171.7	68.8	0	0	0	108.6	L38 V65 C66 F97 L99 Y110	L38-L55 HydrophobicContact CD1-CD1 4.2Å; L38-L55 HydrophobicContact CD2-CD1 3.78Å; L55-V65 HydrophobicContact CB-CB 4.48Å; L55-V65 HydrophobicContact CD2-CB 4.48Å; L55-V65 HydrophobicContact CD2-CG1 4.4Å; L55-V65 WeakPolarHBondContact O-CB 3.47Å; L55-V65 PolarHBondContact O-N 3.46Å; L55-C66 HydrophobicContact CB-CB 4.32Å; L55-C66 PolarHBondContact N-O 3.33Å; L55-F97 HydrophobicContact CB-CD1 4.28Å; L55-F97 HydrophobicContact CB-CE1 4.19Å; L55-F97 HydrophobicContact CB-CE2 4.5Å; L55-F97 HydrophobicContact CB-CG 4.45Å; L55-F97 HydrophobicContact CB-CZ 4.3Å; L55-F97 HydrophobicContact CD1-CD2 4.42Å; L55-F97 HydrophobicContact CD2-CB 4.27Å; L55-F97 HydrophobicContact CD2-CG 4.31Å; L55-L99 HydrophobicContact CD2-CD1 3.87Å; L55-L99 HydrophobicContact CD2-CD2 4.15Å; L55-L99 HydrophobicContact CD2-CG 4.35Å; L55-Y110 HydrophobicContact CD2-CD1 4.07Å; L55-Y110 HydrophobicContact CG-CD1 4.21Å
56	H	95.8	Very high	91.6	Very high	29 Å²	29	44 Å²	44	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.3	179.5	-67.4	-93.6	0	0	0	110.8	S54 S61 V63 Y110 F111	S54-H56 PolarHBondContact OG-NE2 3.33Å; H56-S61 PolarHBondContact ND1-O 3.48Å; H56-S61 VanDerWaalsContact ND1-O 3.17Å; H56-V63 CarbonylContact C-O 3.59Å; H56-V63 VanDerWaalsContact CA-O 3.26Å; H56-V63 WeakPolarHBondContact CA-O 3.38Å; H56-Y110 CarbonylContact O-C 3.48Å; H56-Y110 VanDerWaalsContact O-CA 3.24Å; H56-Y110 WeakPolarHBondContact O-CA 3.31Å; H56-F111 HydrophobicContact CB-CB 4.48Å; H56-F111 PolarHBondContact N-O 2.97Å; H56-F111 PolarHBondContact O-N 3.44Å
57	K	94.8	Very high	92.1	Very high	37 Å²	37	44 Å²	44	16%	0.161	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.5	174.7	176.7	-169.1	176.1	-160.1	0	110.7	A62 V63 V65 F84 D108 Y110	K57-A62 PolarHBondContact O-N 2.84Å; K57-V63 HydrophobicContact CB-CB 4.3Å; K57-V63 PolarHBondContact N-O 3.38Å; K57-V63 PolarHBondContact O-N 3.49Å; K57-V65 HydrophobicContact CB-CG2 3.48Å; K57-V65 VanDerWaalsContact CB-CG2 3.48Å; K57-F84 HydrophobicContact CD-CZ 4.49Å; K57-D108 HydrophobicContact CD-CB 4.42Å; K57-D108 WeakPolarHBondContact CE-OD2 3.34Å; K57-D108 HydrophobicContact CG-CB 4.02Å; K57-Y110 HydrophobicContact CB-CD1 4.04Å; K57-Y110 HydrophobicContact CB-CE1 3.87Å; K57-Y110 HydrophobicContact CD-CE1 4.27Å; K57-Y110 HydrophobicContact CG-CD1 4.46Å; K57-Y110 HydrophobicContact CG-CE1 4Å; K57-Y110 HydrophobicContact CG-CE2 4.44Å
58	G	93.3	Very high	92.9	Very high	13 Å²	13	38.2 Å²	38.2	13%	0.134	21%	0.214	C	C	.	.	S	Bend	trans	97.1	156.7	171.8	0	0	0	0	0	112.3	D60 S61 D108 I109 F111	G58-D60 PolarHBondContact O-N 3.45Å; G58-S61 WeakPolarHBondContact O-CA 3.5Å; G58-S61 PolarHBondContact O-N 3.38Å; G58-D108 WeakPolarHBondContact CA-OD2 3.27Å; G58-I109 PolarHBondContact N-O 2.84Å; G58-F111 VanDerWaalsContact O-CE2 3.23Å; G58-F111 WeakPolarHBondContact O-CE2 3.35Å
59	L	90.3	Very high	93.5	Very high	126 Å²	126	37.9 Å²	37.9	66%	0.66	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.5	-175.9	-171	63.4	0	0	0	113.1	S61	L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 2.84Å
60	D	90.4	Very high	93.5	Very high	137 Å²	137	34.4 Å²	34.4	73%	0.733	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	6.6	177.1	-61.4	-32.5	0	0	0	113.2	G58 A62	G58-D60 PolarHBondContact O-N 3.45Å; D60-A62 PolarHBondContact O-N 3.34Å; D60-A62 VanDerWaalsContact O-N 3.15Å
61	S	89.9	Confident	93.2	Very high	42 Å²	42	33.9 Å²	33.9	29%	0.294	19%	0.191	S	C	.	.			trans	54.4	29	-177.6	47.5	0	0	0	0	114.2	H56 G58 L59 V63	H56-S61 PolarHBondContact ND1-O 3.48Å; H56-S61 VanDerWaalsContact ND1-O 3.17Å; G58-S61 WeakPolarHBondContact O-CA 3.5Å; G58-S61 PolarHBondContact O-N 3.38Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 2.84Å; S61-V63 VanDerWaalsContact C-N 3.34Å; S61-V63 PolarHBondContact O-N 3.46Å
62	A	88.5	Confident	92.3	Very high	89 Å²	89	41.4 Å²	41.4	74%	0.736	22%	0.22	S	C	*	.			trans	-68.8	-26.6	-169.6	0	0	0	0	0	114.3	K57 D60	K57-A62 PolarHBondContact O-N 2.84Å; D60-A62 PolarHBondContact O-N 3.34Å; D60-A62 VanDerWaalsContact O-N 3.15Å
63	V	93.4	Very high	91.2	Very high	57 Å²	57	43.9 Å²	43.9	35%	0.345	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.8	-172.8	-178.2	0	0	0	0	110.6	H56 K57 S61 V65 T82	H56-V63 CarbonylContact C-O 3.59Å; H56-V63 VanDerWaalsContact CA-O 3.26Å; H56-V63 WeakPolarHBondContact CA-O 3.38Å; K57-V63 HydrophobicContact CB-CB 4.3Å; K57-V63 PolarHBondContact N-O 3.38Å; K57-V63 PolarHBondContact O-N 3.49Å; S61-V63 VanDerWaalsContact C-N 3.34Å; S61-V63 PolarHBondContact O-N 3.46Å; V63-V65 PolarHBondContact O-N 2.84Å; V63-T82 HydrophobicContact CG1-CG2 3.85Å
64	E	95.1	Very high	90.1	Very high	32 Å²	32	49.2 Å²	49.2	15%	0.15	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	103.4	172.1	-177.3	173.7	-107.2	0	0	109.8	R52 V67 K81 T82	R52-E64 IonicContact CZ-OE1 2.83Å; R52-E64 IonicContact NH2-OE1 3.84Å; R52-E64 PolarHBondContact NH2-OE1 3.49Å; R52-E64 IonicContact NH2-OE2 3.67Å; E64-V67 HydrophobicContact CG-CG2 3.61Å; E64-V67 WeakPolarHBondContact OE2-CG2 3.29Å; E64-K81 IonicContact OE2-NZ 2.88Å; E64-K81 PolarHBondContact OE2-NZ 3.37Å; E64-T82 WeakPolarHBondContact O-CG2 3.42Å; E64-T82 PolarHBondContact O-OG1 2.76Å
65	V	95.2	Very high	89.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-49.3	-174.5	177.9	0	0	0	0	111	L55 K57 V63 S80 T82 F84 L99 Y110	L55-V65 HydrophobicContact CB-CB 4.48Å; L55-V65 HydrophobicContact CD2-CB 4.48Å; L55-V65 HydrophobicContact CD2-CG1 4.4Å; L55-V65 WeakPolarHBondContact O-CB 3.47Å; L55-V65 PolarHBondContact O-N 3.46Å; K57-V65 HydrophobicContact CB-CG2 3.48Å; K57-V65 VanDerWaalsContact CB-CG2 3.48Å; V63-V65 PolarHBondContact O-N 2.84Å; V65-S80 VanDerWaalsContact O-CB 3.27Å; V65-S80 WeakPolarHBondContact O-CB 3.24Å; V65-S80 PolarHBondContact O-OG 3.23Å; V65-T82 PolarHBondContact O-OG1 3.25Å; V65-F84 HydrophobicContact CG1-CB 3.93Å; V65-F84 HydrophobicContact CG1-CD1 3.66Å; V65-F84 HydrophobicContact CG1-CD2 3.98Å; V65-F84 HydrophobicContact CG1-CE1 4.07Å; V65-F84 HydrophobicContact CG1-CE2 4.37Å; V65-F84 HydrophobicContact CG1-CG 3.6Å; V65-F84 HydrophobicContact CG1-CZ 4.41Å; V65-F84 HydrophobicContact CG2-CE2 4.47Å; V65-F84 HydrophobicContact CG2-CZ 4.45Å; V65-L99 HydrophobicContact CG1-CD2 3.88Å; V65-Y110 HydrophobicContact CG2-CD1 4.25Å; V65-Y110 HydrophobicContact CG2-CE1 3.96Å
66	C	96	Very high	88.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.4	-172.9	-170.8	0	0	0	0	110.6	S54 L55 C86 F97	S54-C66 CarbonylContact C-O 3.56Å; S54-C66 WeakPolarHBondContact CA-O 3.32Å; L55-C66 HydrophobicContact CB-CB 4.32Å; L55-C66 PolarHBondContact N-O 3.33Å; C66-C86 HydrophobicContact CB-CB 3.61Å; C66-C86 WeakPolarHBondContact CB-SG 3.12Å; C66-C86 WeakPolarHBondContact SG-CB 3.15Å; C66-C86 CovalentContact SG-SG 2.02Å; C66-C86 PolarHBondContact SG-SG 3.44Å; C66-F97 HydrophobicContact CB-CD1 4.14Å; C66-F97 HydrophobicContact CB-CE1 4.47Å
67	V	95.8	Very high	88.6	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.9	177.6	-174.1	0	0	0	0	108.4	R52 A53 E64 V78 Y79	R52-V67 HydrophobicContact CG-CG1 4.04Å; A53-V67 CarbonylContact O-C 3.55Å; A53-V67 WeakPolarHBondContact O-CA 3.49Å; E64-V67 HydrophobicContact CG-CG2 3.61Å; E64-V67 WeakPolarHBondContact OE2-CG2 3.29Å; V67-V78 WeakPolarHBondContact O-CA 3.27Å; V67-Y79 HydrophobicContact CB-CD2 4.36Å; V67-Y79 HydrophobicContact CB-CE1 4.11Å; V67-Y79 HydrophobicContact CB-CE2 3.86Å; V67-Y79 HydrophobicContact CG1-CE1 4.05Å; V67-Y79 HydrophobicContact CG1-CE2 4.39Å; V67-Y79 HydrophobicContact CG2-CE2 4.04Å; V67-Y79 PolarHBondContact N-O 3.42Å; V67-Y79 PolarHBondContact O-N 2.95Å
68	V	94.6	Very high	88.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.5	175.9	174	0	0	0	0	106.9	A53 L76 Q77 V78 V95 F97	A53-V68 HydrophobicContact CB-CB 4.23Å; A53-V68 PolarHBondContact N-O 3.48Å; A53-V68 PolarHBondContact O-N 3.31Å; V68-L76 HydrophobicContact CG1-CD1 3.6Å; V68-L76 HydrophobicContact CG1-CD2 3.67Å; V68-L76 HydrophobicContact CG1-CG 3.65Å; V68-Q77 WeakPolarHBondContact CA-O 3.46Å; V68-V78 HydrophobicContact CG1-CG2 4.34Å; V68-V78 HydrophobicContact CG2-CB 4.47Å; V68-V78 HydrophobicContact CG2-CG1 3.9Å; V68-V78 HydrophobicContact CG2-CG2 3.98Å; V68-V95 HydrophobicContact CB-CG1 4.38Å; V68-V95 HydrophobicContact CG1-CG1 4.27Å; V68-V95 HydrophobicContact CG2-CG1 4.37Å; V68-F97 HydrophobicContact CB-CE1 4.18Å; V68-F97 HydrophobicContact CG2-CD1 3.85Å; V68-F97 HydrophobicContact CG2-CE1 3.47Å; V68-F97 VanDerWaalsContact CG2-CE1 3.47Å; V68-F97 HydrophobicContact CG2-CZ 4.37Å
69	Y	93.5	Very high	88.5	Confident	54 Å²	54	67.6 Å²	67.6	21%	0.212	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.9	175.1	177.7	-98.6	0	0	0	109.3	E50 N71 Q77	E50-Y69 HydrophobicContact CG-CE2 3.95Å; E50-Y69 WeakPolarHBondContact CG-OH 3.44Å; E50-Y69 PolarHBondContact OE1-OH 2.87Å; Y69-N71 HydrophobicContact CE1-CB 4.21Å; Y69-Q77 HydrophobicContact CD1-CB 4.5Å; Y69-Q77 PolarHBondContact N-O 2.91Å; Y69-Q77 PolarHBondContact O-N 2.87Å
70	G	89	Confident	88.7	Confident	2 Å²	2	63.2 Å²	63.2	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.2	178.7	0	0	0	0	0	110.5	E50 F51	E50-G70 WeakPolarHBondContact CA-O 3.29Å; F51-G70 PolarHBondContact N-O 3.27Å; F51-G70 PolarHBondContact O-N 2.83Å
71	N	87	Confident	88.7	Confident	42 Å²	42	63.3 Å²	63.3	23%	0.225	33%	0.327	C	S	.	.			trans	-125.2	141.2	167.5	-176.8	-43.4	0	0	0	107.7	E50 Y69 S73 Q74	E50-N71 HydrophobicContact CG-CB 4.44Å; E50-N71 PolarHBondContact OE2-ND2 2.96Å; Y69-N71 HydrophobicContact CE1-CB 4.21Å; N71-S73 PolarHBondContact O-N 2.95Å; N71-S73 VanDerWaalsContact O-N 3.09Å; N71-S73 PolarHBondContact OD1-N 3.01Å; N71-S73 VanDerWaalsContact OD1-N 3.14Å; N71-Q74 HydrophobicContact CB-CB 4.34Å; N71-Q74 PolarHBondContact O-N 3.45Å; N71-Q74 VanDerWaalsContact O-O 3.06Å
72	Y	73.9	Confident	88.6	Confident	160 Å²	160	64.3 Å²	64.3	63%	0.627	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-38.9	179.9	175.9	-118.1	0	0	0	114	S48	S48-Y72 VanDerWaalsContact CA-CD2 3.47Å; S48-Y72 VanDerWaalsContact CB-CD2 3.48Å
73	S	72.5	Confident	88.6	Confident	101 Å²	101	63.6 Å²	63.6	71%	0.706	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-10.6	-172	-55.9	0	0	0	0	114.2	N71	N71-S73 PolarHBondContact O-N 2.95Å; N71-S73 VanDerWaalsContact O-N 3.09Å; N71-S73 PolarHBondContact OD1-N 3.01Å; N71-S73 VanDerWaalsContact OD1-N 3.14Å
74	Q	70.9	Confident	88.6	Confident	111 Å²	111	62.2 Å²	62.2	52%	0.519	32%	0.323	S	S	.	.	S	Bend	trans	-116.3	154.6	-173.9	-63.7	-176.9	-5.8	0	0	111.2	N71	N71-Q74 HydrophobicContact CB-CB 4.34Å; N71-Q74 PolarHBondContact O-N 3.45Å; N71-Q74 VanDerWaalsContact O-O 3.06Å
75	Q	77.6	Confident	88.5	Confident	183 Å²	183	63.9 Å²	63.9	86%	0.855	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-62.7	145.1	171.7	-168.6	162.5	-5.7	0	0	110.2	Q77	Q75-Q77 PolarHBondContact O-N 3.39Å
76	L	86.8	Confident	88.5	Confident	47 Å²	47	64.4 Å²	64.4	25%	0.246	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-57.1	121.9	-180	-162.7	75.6	0	0	0	110	F51 V68 V78 G88 L90	F51-L76 HydrophobicContact CZ-CD1 4.14Å; V68-L76 HydrophobicContact CG1-CD1 3.6Å; V68-L76 HydrophobicContact CG1-CD2 3.67Å; V68-L76 HydrophobicContact CG1-CG 3.65Å; L76-V78 HydrophobicContact CD2-CG2 4.16Å; L76-V78 HydrophobicContact CG-CG2 4.27Å; L76-G88 WeakPolarHBondContact CD2-O 3.41Å; L76-L90 HydrophobicContact CD1-CB 4.16Å; L76-L90 HydrophobicContact CD1-CD2 4.47Å; L76-L90 HydrophobicContact CD2-CB 4.26Å
77	Q	91.3	Very high	88.5	Confident	98 Å²	98	68.1 Å²	68.1	46%	0.458	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.8	178.3	-63.9	-176	22.1	0	0	109.1	V68 Y69 Q75	V68-Q77 WeakPolarHBondContact CA-O 3.46Å; Y69-Q77 HydrophobicContact CD1-CB 4.5Å; Y69-Q77 PolarHBondContact N-O 2.91Å; Y69-Q77 PolarHBondContact O-N 2.87Å; Q75-Q77 PolarHBondContact O-N 3.39Å
78	V	93.9	Very high	88.4	Confident	44 Å²	44	69 Å²	69	27%	0.267	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.9	-179.2	-171	0	0	0	0	108.7	V67 V68 L76	V67-V78 WeakPolarHBondContact O-CA 3.27Å; V68-V78 HydrophobicContact CG1-CG2 4.34Å; V68-V78 HydrophobicContact CG2-CB 4.47Å; V68-V78 HydrophobicContact CG2-CG1 3.9Å; V68-V78 HydrophobicContact CG2-CG2 3.98Å; L76-V78 HydrophobicContact CD2-CG2 4.16Å; L76-V78 HydrophobicContact CG-CG2 4.27Å
79	Y	93.4	Very high	88.3	Confident	93 Å²	93	75.2 Å²	75.2	37%	0.365	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.5	176	65.7	-92.7	0	0	0	111.5	V67 K81	V67-Y79 HydrophobicContact CB-CD2 4.36Å; V67-Y79 HydrophobicContact CB-CE1 4.11Å; V67-Y79 HydrophobicContact CB-CE2 3.86Å; V67-Y79 HydrophobicContact CG1-CE1 4.05Å; V67-Y79 HydrophobicContact CG1-CE2 4.39Å; V67-Y79 HydrophobicContact CG2-CE2 4.04Å; V67-Y79 PolarHBondContact N-O 3.42Å; V67-Y79 PolarHBondContact O-N 2.95Å; Y79-K81 HydrophobicContact CD2-CG 4.36Å; Y79-K81 HydrophobicContact CE2-CG 4.15Å
80	S	94.3	Very high	88.2	Confident	35 Å²	35	75.3 Å²	75.3	25%	0.245	40%	0.396	C	S	.	.			trans	-123.7	130.3	171.7	179.2	0	0	0	0	109.5	V65 T82 G83 F84	V65-S80 VanDerWaalsContact O-CB 3.27Å; V65-S80 WeakPolarHBondContact O-CB 3.24Å; V65-S80 PolarHBondContact O-OG 3.23Å; S80-T82 PolarHBondContact OG-N 3.28Å; S80-T82 PolarHBondContact OG-OG1 3.17Å; S80-G83 PolarHBondContact OG-N 3.41Å; S80-F84 WeakPolarHBondContact CB-O 3.35Å; S80-F84 PolarHBondContact OG-N 3.07Å; S80-F84 VanDerWaalsContact OG-N 3.17Å
81	K	90.4	Very high	88.1	Confident	138 Å²	138	76.3 Å²	76.3	60%	0.6	41%	0.406	S	S	*	.	S	Bend	trans	-83.7	-22	172.1	-67.9	174	-175	148.1	0	112.5	E64 Y79	E64-K81 IonicContact OE2-NZ 2.88Å; E64-K81 PolarHBondContact OE2-NZ 3.37Å; Y79-K81 HydrophobicContact CD2-CG 4.36Å; Y79-K81 HydrophobicContact CE2-CG 4.15Å
82	T	87.6	Confident	88	Confident	64 Å²	64	79.6 Å²	79.6	39%	0.393	42%	0.423	S	S	.	.	S	Bend	trans	-98.2	8.6	-169.9	45.6	0	0	0	0	112.7	V63 E64 V65 S80 F84	V63-T82 HydrophobicContact CG1-CG2 3.85Å; E64-T82 WeakPolarHBondContact O-CG2 3.42Å; E64-T82 PolarHBondContact O-OG1 2.76Å; V65-T82 PolarHBondContact O-OG1 3.25Å; S80-T82 PolarHBondContact OG-N 3.28Å; S80-T82 PolarHBondContact OG-OG1 3.17Å; T82-F84 VanDerWaalsContact C-N 3.34Å; T82-F84 VanDerWaalsContact OG1-CD2 3.3Å; T82-F84 WeakPolarHBondContact OG1-CD2 3.35Å
83	G	88.3	Confident	88.7	Confident	73 Å²	73	76.1 Å²	76.1	75%	0.753	41%	0.413	S	S	*	.			trans	77.8	15.1	176.5	0	0	0	0	0	114.4	S80	S80-G83 PolarHBondContact OG-N 3.41Å
84	F	92.6	Very high	89.7	Confident	29 Å²	29	72.9 Å²	72.9	13%	0.127	39%	0.39	C	S	.	.			trans	-76.4	138.4	173.3	-76.8	-105.4	0	0	0	110.2	K57 V65 S80 T82 C86 L102 Q106	K57-F84 HydrophobicContact CD-CZ 4.49Å; V65-F84 HydrophobicContact CG1-CB 3.93Å; V65-F84 HydrophobicContact CG1-CD1 3.66Å; V65-F84 HydrophobicContact CG1-CD2 3.98Å; V65-F84 HydrophobicContact CG1-CE1 4.07Å; V65-F84 HydrophobicContact CG1-CE2 4.37Å; V65-F84 HydrophobicContact CG1-CG 3.6Å; V65-F84 HydrophobicContact CG1-CZ 4.41Å; V65-F84 HydrophobicContact CG2-CE2 4.47Å; V65-F84 HydrophobicContact CG2-CZ 4.45Å; S80-F84 WeakPolarHBondContact CB-O 3.35Å; S80-F84 PolarHBondContact OG-N 3.07Å; S80-F84 VanDerWaalsContact OG-N 3.17Å; T82-F84 VanDerWaalsContact C-N 3.34Å; T82-F84 VanDerWaalsContact OG1-CD2 3.3Å; T82-F84 WeakPolarHBondContact OG1-CD2 3.35Å; F84-C86 PolarHBondContact O-N 3.37Å; F84-C86 VanDerWaalsContact O-N 3.15Å; F84-L102 HydrophobicContact CD1-CD2 4.08Å; F84-L102 HydrophobicContact CE1-CD2 4.08Å; F84-Q106 VanDerWaalsContact CE1-CD 3.45Å; F84-Q106 HydrophobicContact CE1-CG 4.22Å; F84-Q106 HydrophobicContact CZ-CG 4.32Å
85	N	94.6	Very high	90.9	Very high	67 Å²	67	67.6 Å²	67.6	36%	0.358	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	100.1	169.6	-169.7	12.1	0	0	0	108.4	Q100 N101	N85-Q100 HydrophobicContact CB-CB 4.21Å; N85-Q100 PolarHBondContact O-N 3.47Å; N85-N101 PolarHBondContact ND2-ND2 3.04Å
86	C	95.1	Very high	91.7	Very high	11 Å²	11	60 Å²	60	7%	0.074	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.5	-175	-179.9	0	0	0	0	111.2	C66 F84 Y98 L99	C66-C86 HydrophobicContact CB-CB 3.61Å; C66-C86 WeakPolarHBondContact CB-SG 3.12Å; C66-C86 WeakPolarHBondContact SG-CB 3.15Å; C66-C86 CovalentContact SG-SG 2.02Å; C66-C86 PolarHBondContact SG-SG 3.44Å; F84-C86 PolarHBondContact O-N 3.37Å; F84-C86 VanDerWaalsContact O-N 3.15Å; C86-Y98 WeakPolarHBondContact CA-O 3.31Å; C86-L99 HydrophobicContact CB-CD2 4.02Å
87	D	94.9	Very high	92.2	Very high	77 Å²	77	57.7 Å²	57.7	41%	0.412	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	165.4	165	-63.7	-59.7	0	0	0	110.4	Y98 Q100	D87-Y98 HydrophobicContact CB-CD2 4.47Å; D87-Y98 PolarHBondContact N-O 2.92Å; D87-Y98 PolarHBondContact O-N 3.31Å; D87-Q100 PolarHBondContact OD2-NE2 2.95Å
88	G	93.4	Very high	92.4	Very high	19 Å²	19	56.4 Å²	56.4	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.6	-177.1	0	0	0	0	0	111.3	L76 T96	L76-G88 WeakPolarHBondContact CD2-O 3.41Å; G88-T96 CarbonylContact C-O 3.57Å; G88-T96 WeakPolarHBondContact CA-O 3.27Å
89	K	92.6	Very high	92.5	Very high	132 Å²	132	54.4 Å²	54.4	57%	0.574	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.6	168.8	-172.6	176.2	-179.4	178	0	110.1	T96 Y98	K89-T96 PolarHBondContact N-O 2.96Å; K89-T96 PolarHBondContact O-N 3.48Å; K89-Y98 HydrophobicContact CB-CE2 3.63Å
90	L	91.7	Very high	92.6	Very high	55 Å²	55	53.7 Å²	53.7	29%	0.288	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.1	173.6	-174.9	62	0	0	0	110.1	L46 F51 L76 V95	L46-L90 HydrophobicContact CB-CD1 3.98Å; L46-L90 HydrophobicContact CD1-CD1 4.13Å; F51-L90 HydrophobicContact CE1-CD1 3.97Å; F51-L90 HydrophobicContact CE1-CD2 3.77Å; F51-L90 HydrophobicContact CE2-CD1 4.3Å; F51-L90 HydrophobicContact CZ-CD1 3.47Å; F51-L90 VanDerWaalsContact CZ-CD1 3.47Å; F51-L90 HydrophobicContact CZ-CD2 3.77Å; F51-L90 HydrophobicContact CZ-CG 4.18Å; L76-L90 HydrophobicContact CD1-CB 4.16Å; L76-L90 HydrophobicContact CD1-CD2 4.47Å; L76-L90 HydrophobicContact CD2-CB 4.26Å; L90-V95 HydrophobicContact CD1-CG2 3.86Å
91	G	87.2	Confident	92.6	Very high	23 Å²	23	57.1 Å²	57.1	24%	0.237	31%	0.314	C	S	.	.			trans	-108.9	177.9	158.8	0	0	0	0	0	110.2	E93 S94	G91-E93 VanDerWaalsContact C-N 3.35Å; G91-E93 PolarHBondContact O-N 2.94Å; G91-S94 WeakPolarHBondContact CA-O 3.34Å; G91-S94 PolarHBondContact N-O 2.86Å
92	N	85.9	Confident	92.7	Very high	111 Å²	111	50.6 Å²	50.6	59%	0.594	29%	0.286	S	S	*	.	S	Bend	trans	-57.6	-46.8	-175.5	-59.4	-5.2	0	0	0	112.5	N45 L46	N45-N92 PolarHBondContact OD1-O 2.84Å; L46-N92 PolarHBondContact N-O 2.99Å
93	E	88.6	Confident	93	Very high	88 Å²	88	54.7 Å²	54.7	41%	0.411	30%	0.296	S	S	.	.	S	Bend	trans	-122.8	13.6	-177.7	-63.1	175.7	-179.5	0	0	111.9	K41 Y42 G91	K41-E93 CarbonylContact C-O 3.56Å; K41-E93 WeakPolarHBondContact CA-O 3.23Å; K41-E93 VanDerWaalsContact CE-OE2 3.29Å; K41-E93 WeakPolarHBondContact CE-OE2 3.35Å; K41-E93 IonicContact NZ-OE2 2.65Å; Y42-E93 PolarHBondContact N-O 3.29Å; G91-E93 VanDerWaalsContact C-N 3.35Å; G91-E93 PolarHBondContact O-N 2.94Å
94	S	93.4	Very high	93.2	Very high	32 Å²	32	55 Å²	55	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.9	-176	61.5	0	0	0	0	112.9	C40 G91	C40-S94 CarbonylContact O-C 3.6Å; C40-S94 WeakPolarHBondContact O-CA 2.96Å; C40-S94 WeakPolarHBondContact O-CB 3.39Å; G91-S94 WeakPolarHBondContact CA-O 3.34Å; G91-S94 PolarHBondContact N-O 2.86Å
95	V	94.8	Very high	93.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124	169.1	178.8	0	0	0	0	107.2	C40 Y42 L46 F51 A53 V68 L90 F97	C40-V95 PolarHBondContact N-O 3.41Å; C40-V95 PolarHBondContact O-N 2.92Å; Y42-V95 HydrophobicContact CE2-CB 3.98Å; Y42-V95 HydrophobicContact CE2-CG2 3.82Å; L46-V95 HydrophobicContact CD1-CG2 3.72Å; F51-V95 HydrophobicContact CE2-CG2 4.22Å; A53-V95 HydrophobicContact CB-CB 4.44Å; A53-V95 HydrophobicContact CB-CG1 4.14Å; A53-V95 HydrophobicContact CB-CG2 4.11Å; V68-V95 HydrophobicContact CB-CG1 4.38Å; V68-V95 HydrophobicContact CG1-CG1 4.27Å; V68-V95 HydrophobicContact CG2-CG1 4.37Å; L90-V95 HydrophobicContact CD1-CG2 3.86Å; V95-F97 HydrophobicContact CB-CE2 4.33Å; V95-F97 HydrophobicContact CG1-CD2 4.31Å; V95-F97 HydrophobicContact CG1-CE1 4.24Å; V95-F97 HydrophobicContact CG1-CE2 3.8Å; V95-F97 HydrophobicContact CG1-CZ 3.78Å
96	T	95.9	Very high	93	Very high	23 Å²	23	58 Å²	58	14%	0.141	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.9	176.8	-56	0	0	0	0	109.1	N37 L38 S39 G88 K89 Y98	N37-T96 HydrophobicContact CB-CG2 4.32Å; L38-T96 CarbonylContact O-C 3.56Å; L38-T96 WeakPolarHBondContact O-CA 3.08Å; S39-T96 PolarHBondContact OG-OG1 3Å; G88-T96 CarbonylContact C-O 3.57Å; G88-T96 WeakPolarHBondContact CA-O 3.27Å; K89-T96 PolarHBondContact N-O 2.96Å; K89-T96 PolarHBondContact O-N 3.48Å; T96-Y98 HydrophobicContact CG2-CD2 4.46Å; T96-Y98 HydrophobicContact CG2-CE1 4.23Å; T96-Y98 HydrophobicContact CG2-CE2 3.89Å
97	F	96.8	Very high	93	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.3	173	-59.8	-87.4	0	0	0	109	N37 L38 A53 L55 C66 V68 V95	N37-F97 WeakPolarHBondContact CA-O 3.31Å; L38-F97 HydrophobicContact CD2-CD2 4Å; L38-F97 PolarHBondContact N-O 3.01Å; L38-F97 PolarHBondContact O-N 3.36Å; A53-F97 HydrophobicContact CB-CZ 4Å; L55-F97 HydrophobicContact CB-CD1 4.28Å; L55-F97 HydrophobicContact CB-CE1 4.19Å; L55-F97 HydrophobicContact CB-CE2 4.5Å; L55-F97 HydrophobicContact CB-CG 4.45Å; L55-F97 HydrophobicContact CB-CZ 4.3Å; L55-F97 HydrophobicContact CD1-CD2 4.42Å; L55-F97 HydrophobicContact CD2-CB 4.27Å; L55-F97 HydrophobicContact CD2-CG 4.31Å; C66-F97 HydrophobicContact CB-CD1 4.14Å; C66-F97 HydrophobicContact CB-CE1 4.47Å; V68-F97 HydrophobicContact CB-CE1 4.18Å; V68-F97 HydrophobicContact CG2-CD1 3.85Å; V68-F97 HydrophobicContact CG2-CE1 3.47Å; V68-F97 VanDerWaalsContact CG2-CE1 3.47Å; V68-F97 HydrophobicContact CG2-CZ 4.37Å; V95-F97 HydrophobicContact CB-CE2 4.33Å; V95-F97 HydrophobicContact CG1-CD2 4.31Å; V95-F97 HydrophobicContact CG1-CE1 4.24Å; V95-F97 HydrophobicContact CG1-CE2 3.8Å; V95-F97 HydrophobicContact CG1-CZ 3.78Å
98	Y	96.1	Very high	93	Very high	71 Å²	71	59 Å²	59	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	102.1	174.7	-61.9	-90.5	0	0	0	107.5	N37 C86 D87 K89 T96	N37-Y98 HydrophobicContact CB-CD1 4.29Å; N37-Y98 HydrophobicContact CB-CE1 4.27Å; N37-Y98 WeakPolarHBondContact OD1-CD1 3.49Å; C86-Y98 WeakPolarHBondContact CA-O 3.31Å; D87-Y98 HydrophobicContact CB-CD2 4.47Å; D87-Y98 PolarHBondContact N-O 2.92Å; D87-Y98 PolarHBondContact O-N 3.31Å; K89-Y98 HydrophobicContact CB-CE2 3.63Å; T96-Y98 HydrophobicContact CG2-CD2 4.46Å; T96-Y98 HydrophobicContact CG2-CE1 4.23Å; T96-Y98 HydrophobicContact CG2-CE2 3.89Å
99	L	95.9	Very high	93.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124	175.8	-58.6	173.7	0	0	0	108.1	A35 V36 L55 V65 C86 L102 Y110 I133	A35-L99 CarbonylContact C-O 3.58Å; A35-L99 WeakPolarHBondContact CA-O 3.19Å; V36-L99 HydrophobicContact CG1-CB 3.99Å; V36-L99 HydrophobicContact CG1-CD1 4.09Å; V36-L99 HydrophobicContact CG1-CG 4.44Å; V36-L99 PolarHBondContact N-O 3.37Å; V36-L99 PolarHBondContact O-N 3.41Å; L55-L99 HydrophobicContact CD2-CD1 3.87Å; L55-L99 HydrophobicContact CD2-CD2 4.15Å; L55-L99 HydrophobicContact CD2-CG 4.35Å; V65-L99 HydrophobicContact CG1-CD2 3.88Å; C86-L99 HydrophobicContact CB-CD2 4.02Å; L99-L102 HydrophobicContact CB-CD1 3.86Å; L99-L102 HydrophobicContact CB-CD2 4.09Å; L99-L102 HydrophobicContact CB-CG 4.03Å; L99-L102 HydrophobicContact CD1-CD1 4.36Å; L99-L102 HydrophobicContact CD1-CD2 4.42Å; L99-Y110 HydrophobicContact CD1-CE1 4.31Å; L99-I133 HydrophobicContact CD1-CD1 3.91Å
100	Q	94.9	Very high	93.4	Very high	78 Å²	78	53.3 Å²	53.3	36%	0.364	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	161.2	179.4	-58.9	-178.4	45.5	0	0	110	N34 N85 D87 L102	N34-Q100 CarbonylContact O-C 3.58Å; N85-Q100 HydrophobicContact CB-CB 4.21Å; N85-Q100 PolarHBondContact O-N 3.47Å; D87-Q100 PolarHBondContact OD2-NE2 2.95Å; Q100-L102 PolarHBondContact O-N 2.94Å
101	N	93.9	Very high	93.6	Very high	107 Å²	107	51.6 Å²	51.6	57%	0.572	27%	0.267	S	S	*	.	S	Bend	trans	53.8	35.8	178.1	-57.9	-32.2	0	0	0	113.5	N34 N85	N34-N101 PolarHBondContact O-N 3.32Å; N34-N101 VanDerWaalsContact O-N 3.13Å; N85-N101 PolarHBondContact ND2-ND2 3.04Å
102	L	93.4	Very high	94	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.256	C	S	.	.			trans	-67.6	142.1	176.5	-71.5	175	0	0	0	111.7	A31 N34 V36 F84 L99 Q100 I133 V135	A31-L102 HydrophobicContact CB-CD1 4.37Å; N34-L102 VanDerWaalsContact CB-O 3.25Å; N34-L102 WeakPolarHBondContact CB-O 3.36Å; N34-L102 VanDerWaalsContact CG-O 3.29Å; N34-L102 PolarHBondContact ND2-O 3.35Å; N34-L102 VanDerWaalsContact ND2-O 3.09Å; N34-L102 WeakPolarHBondContact O-CB 3.25Å; N34-L102 PolarHBondContact O-N 3.07Å; V36-L102 HydrophobicContact CB-CD1 4.41Å; V36-L102 HydrophobicContact CG1-CD1 3.56Å; F84-L102 HydrophobicContact CD1-CD2 4.08Å; F84-L102 HydrophobicContact CE1-CD2 4.08Å; L99-L102 HydrophobicContact CB-CD1 3.86Å; L99-L102 HydrophobicContact CB-CD2 4.09Å; L99-L102 HydrophobicContact CB-CG 4.03Å; L99-L102 HydrophobicContact CD1-CD1 4.36Å; L99-L102 HydrophobicContact CD1-CD2 4.42Å; Q100-L102 PolarHBondContact O-N 2.94Å; L102-I133 HydrophobicContact CD1-CG2 4.31Å; L102-V135 HydrophobicContact CB-CG1 4.21Å; L102-V135 HydrophobicContact CB-CG2 3.93Å; L102-V135 HydrophobicContact CD1-CG2 4.09Å
103	Y	92.9	Very high	94.5	Very high	151 Å²	151	48.2 Å²	48.2	59%	0.592	24%	0.241	S	C	*	.			trans	-97.4	155	175.2	-63.5	-79	0	0	0	111.6	N105 Q106	Y103-N105 VanDerWaalsContact C-N 3.27Å; Y103-N105 WeakPolarHBondContact CB-OD1 3.47Å; Y103-N105 PolarHBondContact O-N 2.89Å; Y103-Q106 WeakPolarHBondContact O-CA 3.3Å; Y103-Q106 VanDerWaalsContact O-CB 3.31Å; Y103-Q106 WeakPolarHBondContact O-CB 3.17Å; Y103-Q106 PolarHBondContact O-N 2.97Å
104	V	91.7	Very high	94.7	Very high	78 Å²	78	44 Å²	44	47%	0.473	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-60.5	-37.4	-179.3	-176.2	0	0	0	0	111.9	Q106 T107	V104-Q106 PolarHBondContact O-N 3.41Å; V104-T107 VanDerWaalsContact O-CB 3.31Å; V104-T107 WeakPolarHBondContact O-CB 3.4Å; V104-T107 PolarHBondContact O-N 3.37Å; V104-T107 VanDerWaalsContact O-N 3.15Å; V104-T107 PolarHBondContact O-OG1 3.48Å
105	N	91.7	Very high	94.8	Very high	131 Å²	131	43.4 Å²	43.4	70%	0.701	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-70.9	-6	175.6	66.6	-6.4	0	0	0	113.8	Y103 T107	Y103-N105 VanDerWaalsContact C-N 3.27Å; Y103-N105 WeakPolarHBondContact CB-OD1 3.47Å; Y103-N105 PolarHBondContact O-N 2.89Å; N105-T107 VanDerWaalsContact C-N 3.3Å
106	Q	92.4	Very high	94.7	Very high	30 Å²	30	43.4 Å²	43.4	14%	0.14	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-91.9	7	172.3	-62.5	172.6	-28.3	0	0	112.3	F84 Y103 V104 D108 Y110	F84-Q106 VanDerWaalsContact CE1-CD 3.45Å; F84-Q106 HydrophobicContact CE1-CG 4.22Å; F84-Q106 HydrophobicContact CZ-CG 4.32Å; Y103-Q106 WeakPolarHBondContact O-CA 3.3Å; Y103-Q106 VanDerWaalsContact O-CB 3.31Å; Y103-Q106 WeakPolarHBondContact O-CB 3.17Å; Y103-Q106 PolarHBondContact O-N 2.97Å; V104-Q106 PolarHBondContact O-N 3.41Å; Q106-D108 PolarHBondContact O-N 2.94Å; Q106-D108 VanDerWaalsContact O-N 3.17Å; Q106-Y110 PolarHBondContact O-OH 2.88Å
107	T	94.7	Very high	94.5	Very high	51 Å²	51	46.3 Å²	46.3	31%	0.313	23%	0.228	S	C	.	.			trans	-63.1	111.4	168.7	-63.8	0	0	0	0	110.1	V104 N105 I133 H134 V135	V104-T107 VanDerWaalsContact O-CB 3.31Å; V104-T107 WeakPolarHBondContact O-CB 3.4Å; V104-T107 PolarHBondContact O-N 3.37Å; V104-T107 VanDerWaalsContact O-N 3.15Å; V104-T107 PolarHBondContact O-OG1 3.48Å; N105-T107 VanDerWaalsContact C-N 3.3Å; T107-I133 VanDerWaalsContact CA-O 3.28Å; T107-I133 WeakPolarHBondContact CA-O 3.28Å; T107-I133 WeakPolarHBondContact CG2-O 3.01Å; T107-H134 HydrophobicContact CG2-CB 4.47Å; T107-V135 PolarHBondContact OG1-N 3.02Å
108	D	95.7	Very high	94.2	Very high	56 Å²	56	53.2 Å²	53.2	30%	0.299	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	179.4	-175.2	-154.3	-12.4	0	0	0	110.3	K57 G58 Q106 Y110 I133	K57-D108 HydrophobicContact CD-CB 4.42Å; K57-D108 WeakPolarHBondContact CE-OD2 3.34Å; K57-D108 HydrophobicContact CG-CB 4.02Å; G58-D108 WeakPolarHBondContact CA-OD2 3.27Å; Q106-D108 PolarHBondContact O-N 2.94Å; Q106-D108 VanDerWaalsContact O-N 3.17Å; D108-Y110 HydrophobicContact CB-CE2 4.19Å; D108-Y110 VanDerWaalsContact O-CD2 3.23Å; D108-Y110 WeakPolarHBondContact O-CD2 3.42Å; D108-Y110 WeakPolarHBondContact O-CE2 3.34Å; D108-I133 PolarHBondContact N-O 2.88Å; D108-I133 PolarHBondContact O-N 3.35Å
109	I	96.1	Very high	93.9	Very high	33 Å²	33	51.8 Å²	51.8	17%	0.169	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.8	169.3	-169.3	166.1	0	0	0	111.4	G58 F111 T131 I132	G58-I109 PolarHBondContact N-O 2.84Å; I109-F111 HydrophobicContact CD1-CE1 3.94Å; I109-F111 HydrophobicContact CD1-CE2 4.24Å; I109-F111 HydrophobicContact CD1-CZ 3.53Å; I109-F111 HydrophobicContact CG1-CE1 4.24Å; I109-F111 HydrophobicContact CG1-CE2 4.07Å; I109-F111 HydrophobicContact CG1-CZ 3.82Å; I109-F111 HydrophobicContact CG2-CE2 3.84Å; I109-F111 HydrophobicContact CG2-CZ 4.16Å; I109-T131 WeakPolarHBondContact CA-O 3.43Å; I109-I132 HydrophobicContact CB-CG1 4.44Å; I109-I132 HydrophobicContact CG1-CG1 4.47Å
110	Y	96.8	Very high	93.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.9	-179.3	-67.8	-105.4	0	0	0	110.3	L55 H56 K57 V65 L99 Q106 D108 G130 T131 I133	L55-Y110 HydrophobicContact CD2-CD1 4.07Å; L55-Y110 HydrophobicContact CG-CD1 4.21Å; H56-Y110 CarbonylContact O-C 3.48Å; H56-Y110 VanDerWaalsContact O-CA 3.24Å; H56-Y110 WeakPolarHBondContact O-CA 3.31Å; K57-Y110 HydrophobicContact CB-CD1 4.04Å; K57-Y110 HydrophobicContact CB-CE1 3.87Å; K57-Y110 HydrophobicContact CD-CE1 4.27Å; K57-Y110 HydrophobicContact CG-CD1 4.46Å; K57-Y110 HydrophobicContact CG-CE1 4Å; K57-Y110 HydrophobicContact CG-CE2 4.44Å; V65-Y110 HydrophobicContact CG2-CD1 4.25Å; V65-Y110 HydrophobicContact CG2-CE1 3.96Å; L99-Y110 HydrophobicContact CD1-CE1 4.31Å; Q106-Y110 PolarHBondContact O-OH 2.88Å; D108-Y110 HydrophobicContact CB-CE2 4.19Å; D108-Y110 VanDerWaalsContact O-CD2 3.23Å; D108-Y110 WeakPolarHBondContact O-CD2 3.42Å; D108-Y110 WeakPolarHBondContact O-CE2 3.34Å; Y110-G130 CarbonylContact O-C 3.51Å; Y110-G130 VanDerWaalsContact O-CA 3.28Å; Y110-G130 WeakPolarHBondContact O-CA 3.32Å; Y110-T131 PolarHBondContact N-O 3.13Å; Y110-T131 PolarHBondContact O-N 3.09Å; Y110-I133 HydrophobicContact CD1-CD1 4.01Å; Y110-I133 HydrophobicContact CD2-CB 3.76Å; Y110-I133 HydrophobicContact CD2-CD1 3.34Å; Y110-I133 HydrophobicContact CD2-CG1 3.45Å; Y110-I133 VanDerWaalsContact CD2-CG1 3.45Å; Y110-I133 HydrophobicContact CE1-CD1 4.24Å; Y110-I133 HydrophobicContact CE2-CB 3.66Å; Y110-I133 HydrophobicContact CE2-CD1 3.65Å; Y110-I133 HydrophobicContact CE2-CG1 3.85Å; Y110-I133 HydrophobicContact CG-CD1 3.56Å; Y110-I133 HydrophobicContact CG-CG1 4.08Å
111	F	96.9	Very high	93.5	Very high	18 Å²	18	57 Å²	57	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.7	-178.7	-63.4	-76.7	0	0	0	110.6	H56 G58 I109 S128	H56-F111 HydrophobicContact CB-CB 4.48Å; H56-F111 PolarHBondContact N-O 2.97Å; H56-F111 PolarHBondContact O-N 3.44Å; G58-F111 VanDerWaalsContact O-CE2 3.23Å; G58-F111 WeakPolarHBondContact O-CE2 3.35Å; I109-F111 HydrophobicContact CD1-CE1 3.94Å; I109-F111 HydrophobicContact CD1-CE2 4.24Å; I109-F111 HydrophobicContact CD1-CZ 3.53Å; I109-F111 HydrophobicContact CG1-CE1 4.24Å; I109-F111 HydrophobicContact CG1-CE2 4.07Å; I109-F111 HydrophobicContact CG1-CZ 3.82Å; I109-F111 HydrophobicContact CG2-CE2 3.84Å; I109-F111 HydrophobicContact CG2-CZ 4.16Å; F111-S128 WeakPolarHBondContact CD1-O 3.2Å; F111-S128 WeakPolarHBondContact CE1-O 3.26Å
112	C	96	Very high	93.4	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.1	171.1	-88.4	0	0	0	0	110.8	V23 Q25 L38 C40 N125	V23-C112 HydrophobicContact CG1-CB 3.97Å; Q25-C112 HydrophobicContact CG-CB 4.42Å; Q25-C112 PolarHBondContact NE2-SG 3.46Å; Q25-C112 VanDerWaalsContact NE2-SG 3.41Å; L38-C112 VanDerWaalsContact CD2-SG 3.56Å; C40-C112 HydrophobicContact CB-CB 3.66Å; C40-C112 WeakPolarHBondContact CB-SG 3.41Å; C40-C112 WeakPolarHBondContact SG-CB 3.33Å; C40-C112 CovalentContact SG-SG 2Å; C40-C112 PolarHBondContact SG-SG 2.58Å; C112-N125 PolarHBondContact O-ND2 3.3Å
113	K	95.3	Very high	93.4	Very high	62 Å²	62	58.7 Å²	58.7	27%	0.27	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.1	173.3	-167.4	-172.3	-173	-162.2	0	109.7	A53 S54 E115 D124 N125	A53-K113 CarbonylContact C-O 3.55Å; A53-K113 WeakPolarHBondContact CA-O 3.46Å; S54-K113 PolarHBondContact N-O 3.02Å; S54-K113 PolarHBondContact O-N 2.87Å; S54-K113 WeakPolarHBondContact OG-CB 3.23Å; K113-E115 WeakPolarHBondContact CE-OE1 3.4Å; K113-E115 IonicContact NZ-OE1 3.59Å; K113-E115 PolarHBondContact NZ-OE1 2.91Å; K113-D124 VanDerWaalsContact CE-OD1 3.29Å; K113-D124 WeakPolarHBondContact CE-OD1 3.45Å; K113-D124 VanDerWaalsContact CE-OD2 3.3Å; K113-D124 WeakPolarHBondContact CE-OD2 3.36Å; K113-D124 IonicContact NZ-OD2 3.65Å; K113-N125 VanDerWaalsContact CA-OD1 3.23Å; K113-N125 WeakPolarHBondContact CA-OD1 3.47Å; K113-N125 WeakPolarHBondContact CG-OD1 3.49Å
114	I	94.4	Very high	93.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.7	179.1	-177.7	66.5	0	0	0	110	I21 Y42 L46 F51 A53 V116 D124 N125	I21-I114 HydrophobicContact CB-CG2 4.4Å; I21-I114 HydrophobicContact CD1-CG2 4.4Å; I21-I114 HydrophobicContact CG2-CG2 4.13Å; Y42-I114 HydrophobicContact CD1-CB 4.1Å; Y42-I114 HydrophobicContact CD1-CG2 3.41Å; Y42-I114 VanDerWaalsContact CD1-CG2 3.41Å; Y42-I114 HydrophobicContact CE1-CB 3.61Å; Y42-I114 HydrophobicContact CE1-CG1 4.43Å; Y42-I114 HydrophobicContact CE1-CG2 3.28Å; Y42-I114 HydrophobicContact CG-CG2 4.27Å; L46-I114 HydrophobicContact CD2-CD1 3.75Å; L46-I114 HydrophobicContact CD2-CG1 3.93Å; F51-I114 HydrophobicContact CB-CD1 3.95Å; F51-I114 HydrophobicContact CD2-CD1 3.52Å; F51-I114 HydrophobicContact CE2-CD1 4.42Å; F51-I114 HydrophobicContact CG-CD1 4.04Å; A53-I114 HydrophobicContact CB-CD1 3.72Å; I114-V116 HydrophobicContact CG1-CG2 4.45Å; I114-D124 VanDerWaalsContact O-OD1 3.14Å; I114-N125 HydrophobicContact CG2-CB 3.63Å; I114-N125 PolarHBondContact N-OD1 2.85Å; I114-N125 PolarHBondContact O-N 2.7Å; I114-N125 PolarHBondContact O-OD1 2.77Å
115	E	94.2	Very high	93.4	Very high	18 Å²	18	50.9 Å²	50.9	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.5	178.2	-58.6	176.3	151.8	0	0	107.7	F51 R52 K113 Y122 L123	F51-E115 CarbonylContact C-O 3.59Å; F51-E115 VanDerWaalsContact CA-O 3.25Å; F51-E115 WeakPolarHBondContact CA-O 3.24Å; R52-E115 HydrophobicContact CB-CB 4.35Å; R52-E115 IonicContact CZ-OE2 3.54Å; R52-E115 PolarHBondContact N-O 2.81Å; R52-E115 IonicContact NH1-OE2 2.69Å; R52-E115 PolarHBondContact NH1-OE2 2.67Å; R52-E115 PolarHBondContact O-N 3.39Å; K113-E115 WeakPolarHBondContact CE-OE1 3.4Å; K113-E115 IonicContact NZ-OE1 3.59Å; K113-E115 PolarHBondContact NZ-OE1 2.91Å; E115-Y122 HydrophobicContact CB-CE2 3.94Å; E115-Y122 WeakPolarHBondContact CB-OH 3.29Å; E115-Y122 VanDerWaalsContact CD-OH 3.24Å; E115-Y122 WeakPolarHBondContact CG-OH 3.41Å; E115-Y122 PolarHBondContact OE1-OH 2.59Å; E115-L123 WeakPolarHBondContact CA-O 3.43Å
116	V	93	Very high	93.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.8	175.4	-177.6	0	0	0	0	108.1	I21 Y44 L46 R49 F51 I114 Y122 L123	I21-V116 HydrophobicContact CD1-CG2 3.74Å; Y44-V116 HydrophobicContact CD1-CG2 4.41Å; L46-V116 HydrophobicContact CD2-CG2 4.42Å; R49-V116 HydrophobicContact CB-CG1 4.3Å; F51-V116 HydrophobicContact CB-CG2 4.31Å; I114-V116 HydrophobicContact CG1-CG2 4.45Å; V116-Y122 WeakPolarHBondContact O-CA 3.23Å; V116-Y122 WeakPolarHBondContact O-CD2 3.39Å; V116-L123 HydrophobicContact CB-CB 4.26Å; V116-L123 PolarHBondContact N-O 3.23Å; V116-L123 PolarHBondContact O-N 3.49Å; V116-L123 VanDerWaalsContact O-N 3.11Å
117	M	92.6	Very high	93	Very high	84 Å²	84	54.4 Å²	54.4	41%	0.414	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-38	-175.6	-65.4	-172.6	162.2	0	0	112.1	E50 Y122	E50-M117 PolarHBondContact O-N 3.26Å; M117-Y122 HydrophobicContact CG-CD2 4.39Å; M117-Y122 HydrophobicContact CG-CE2 4.36Å
118	Y	90.2	Very high	92.8	Very high	145 Å²	145	52.5 Å²	52.5	57%	0.569	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.9	-177.5	-168.6	-91.2	0	0	0	112.9	R49 E50	R49-Y118 WeakPolarHBondContact CA-O 3.37Å; E50-Y118 PolarHBondContact N-O 3.17Å; E50-Y118 PolarHBondContact O-N 2.9Å
119	P	90.3	Very high	92.6	Very high	40 Å²	40	57.4 Å²	57.4	26%	0.26	29%	0.287	S	S	.	.	S	Bend	cis	-76.1	153.6	-2.4	32.5	-29.5	0	0	0	111.7
120	P	89.8	Confident	92.5	Very high	96 Å²	96	56.2 Å²	56.2	62%	0.623	28%	0.282	S	S	*	.	S	Bend	trans	-54	152.1	174.9	-25.6	34.6	0	0	0	112
121	P	91.6	Very high	92.5	Very high	93 Å²	93	56.2 Å²	56.2	60%	0.604	28%	0.282	S	S	*	.	S	Bend	cis	-79	160.1	7.4	32.7	-36.5	0	0	0	113.8	L123	P121-L123 HydrophobicContact CG-CD2 4.24Å; P121-L123 PolarHBondContact O-N 3.34Å
122	Y	92.1	Very high	92.5	Very high	121 Å²	121	59.5 Å²	59.5	48%	0.475	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-63.1	127.9	170.2	176.4	-96.6	0	0	0	110.1	E115 V116 M117 D124	E115-Y122 HydrophobicContact CB-CE2 3.94Å; E115-Y122 WeakPolarHBondContact CB-OH 3.29Å; E115-Y122 VanDerWaalsContact CD-OH 3.24Å; E115-Y122 WeakPolarHBondContact CG-OH 3.41Å; E115-Y122 PolarHBondContact OE1-OH 2.59Å; V116-Y122 WeakPolarHBondContact O-CA 3.23Å; V116-Y122 WeakPolarHBondContact O-CD2 3.39Å; M117-Y122 HydrophobicContact CG-CD2 4.39Å; M117-Y122 HydrophobicContact CG-CE2 4.36Å; Y122-D124 HydrophobicContact CE1-CB 4.02Å
123	L	92.4	Very high	92.5	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.12	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.1	177.5	-57	175	0	0	0	109.6	N19 I21 Y44 E115 V116 P121	N19-L123 HydrophobicContact CB-CD2 4.43Å; I21-L123 HydrophobicContact CD1-CB 3.96Å; I21-L123 HydrophobicContact CG1-CB 4.36Å; Y44-L123 HydrophobicContact CD2-CD1 4.44Å; Y44-L123 HydrophobicContact CE1-CD1 4.3Å; Y44-L123 HydrophobicContact CE2-CD1 3.77Å; E115-L123 WeakPolarHBondContact CA-O 3.43Å; V116-L123 HydrophobicContact CB-CB 4.26Å; V116-L123 PolarHBondContact N-O 3.23Å; V116-L123 PolarHBondContact O-N 3.49Å; V116-L123 VanDerWaalsContact O-N 3.11Å; P121-L123 HydrophobicContact CG-CD2 4.24Å; P121-L123 PolarHBondContact O-N 3.34Å
124	D	92.8	Very high	92.5	Very high	48 Å²	48	59.8 Å²	59.8	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.9	171.8	-164.4	6.3	0	0	0	108.9	I21 K113 I114 Y122	I21-D124 PolarHBondContact N-O 2.93Å; I21-D124 VanDerWaalsContact N-O 3.13Å; K113-D124 VanDerWaalsContact CE-OD1 3.29Å; K113-D124 WeakPolarHBondContact CE-OD1 3.45Å; K113-D124 VanDerWaalsContact CE-OD2 3.3Å; K113-D124 WeakPolarHBondContact CE-OD2 3.36Å; K113-D124 IonicContact NZ-OD2 3.65Å; I114-D124 VanDerWaalsContact O-OD1 3.14Å; Y122-D124 HydrophobicContact CE1-CB 4.02Å
125	N	92	Very high	92.5	Very high	17 Å²	17	59.8 Å²	59.8	9%	0.091	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-87.8	159.2	176.6	67.7	-72.6	0	0	0	113.7	I21 V23 C112 K113 I114	I21-N125 HydrophobicContact CB-CB 4.16Å; I21-N125 WeakPolarHBondContact O-CA 2.93Å; I21-N125 WeakPolarHBondContact O-CB 3.47Å; V23-N125 HydrophobicContact CG2-CB 3.54Å; V23-N125 VanDerWaalsContact CG2-ND2 3.35Å; V23-N125 WeakPolarHBondContact CG2-ND2 3.34Å; C112-N125 PolarHBondContact O-ND2 3.3Å; K113-N125 VanDerWaalsContact CA-OD1 3.23Å; K113-N125 WeakPolarHBondContact CA-OD1 3.47Å; K113-N125 WeakPolarHBondContact CG-OD1 3.49Å; I114-N125 HydrophobicContact CG2-CB 3.63Å; I114-N125 PolarHBondContact N-OD1 2.85Å; I114-N125 PolarHBondContact O-N 2.7Å; I114-N125 PolarHBondContact O-OD1 2.77Å
126	E	89.6	Confident	92.2	Very high	99 Å²	99	64.2 Å²	64.2	46%	0.463	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-73.6	147.5	162.9	-170.8	170.3	-165.4	0	0	110.4	K20 I21 S128	K20-E126 HydrophobicContact CB-CB 4.44Å; K20-E126 HydrophobicContact CD-CB 4.4Å; I21-E126 PolarHBondContact O-N 3.15Å; E126-S128 PolarHBondContact O-N 3.15Å; E126-S128 VanDerWaalsContact O-N 3.16Å
127	K	87	Confident	91.6	Very high	135 Å²	135	65.6 Å²	65.6	59%	0.587	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-59.7	121.3	178.6	-169.8	169	-176.8	175	0	109
128	S	89.1	Confident	90.5	Very high	12 Å²	12	68.8 Å²	68.8	8%	0.084	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-76.2	165	-179.9	66	0	0	0	0	111.7	Q25 F111 E126 G130	Q25-S128 PolarHBondContact OE1-OG 3.19Å; F111-S128 WeakPolarHBondContact CD1-O 3.2Å; F111-S128 WeakPolarHBondContact CE1-O 3.26Å; E126-S128 PolarHBondContact O-N 3.15Å; E126-S128 VanDerWaalsContact O-N 3.16Å; S128-G130 PolarHBondContact O-N 3.17Å; S128-G130 PolarHBondContact OG-N 2.82Å
129	N	91.8	Very high	89	Confident	159 Å²	159	69.8 Å²	69.8	85%	0.85	36%	0.356	S	S	*	.			trans	-66.8	-13.7	171.8	-67.5	-2.3	0	0	0	112.9
130	G	93.8	Very high	87.3	Confident	7 Å²	7	75.5 Å²	75.5	7%	0.072	38%	0.383	C	S	.	.			trans	78.2	174.4	-177.9	0	0	0	0	0	114	Y110 S128	Y110-G130 CarbonylContact O-C 3.51Å; Y110-G130 VanDerWaalsContact O-CA 3.28Å; Y110-G130 WeakPolarHBondContact O-CA 3.32Å; S128-G130 PolarHBondContact O-N 3.17Å; S128-G130 PolarHBondContact OG-N 2.82Å
131	T	97.1	Very high	85.5	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.006	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.1	175.3	-60.6	0	0	0	0	109.1	Q25 S26 L29 L38 I109 Y110 I133	Q25-T131 VanDerWaalsContact CB-OG1 3.29Å; Q25-T131 WeakPolarHBondContact CB-OG1 3.4Å; S26-T131 WeakPolarHBondContact O-CA 3.3Å; S26-T131 WeakPolarHBondContact O-CB 3.38Å; S26-T131 WeakPolarHBondContact O-CG2 3.09Å; S26-T131 PolarHBondContact O-OG1 3.16Å; L29-T131 HydrophobicContact CB-CG2 4.23Å; L29-T131 HydrophobicContact CD1-CG2 3.77Å; L29-T131 HydrophobicContact CG-CG2 3.74Å; L38-T131 HydrophobicContact CD1-CG2 4.09Å; I109-T131 WeakPolarHBondContact CA-O 3.43Å; Y110-T131 PolarHBondContact N-O 3.13Å; Y110-T131 PolarHBondContact O-N 3.09Å; T131-I133 HydrophobicContact CG2-CG1 4.27Å; T131-I133 PolarHBondContact O-N 3.44Å
132	I	96.9	Very high	83.6	Confident	86 Å²	86	76.1 Å²	76.1	44%	0.441	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.5	171.5	-60.4	174.2	0	0	0	108.2	P27 M28 L29 I109	P27-I132 PolarHBondContact O-N 3.12Å; M28-I132 CarbonylContact C-O 3.47Å; M28-I132 VanDerWaalsContact CA-O 3.29Å; M28-I132 WeakPolarHBondContact CA-O 3.45Å; L29-I132 PolarHBondContact N-O 2.85Å; I109-I132 HydrophobicContact CB-CG1 4.44Å; I109-I132 HydrophobicContact CG1-CG1 4.47Å
133	I	96.6	Very high	81.5	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	111.4	174.1	-57.2	180	0	0	0	107.7	L29 V36 L38 L99 L102 T107 D108 Y110 T131 V135	L29-I133 CarbonylContact O-C 3.52Å; L29-I133 WeakPolarHBondContact O-CA 3.5Å; V36-I133 HydrophobicContact CB-CG2 4.47Å; V36-I133 HydrophobicContact CG1-CD1 4.01Å; V36-I133 HydrophobicContact CG1-CG2 3.93Å; V36-I133 HydrophobicContact CG2-CG2 4.49Å; L38-I133 HydrophobicContact CD1-CD1 3.69Å; L38-I133 HydrophobicContact CD1-CG1 4.21Å; L99-I133 HydrophobicContact CD1-CD1 3.91Å; L102-I133 HydrophobicContact CD1-CG2 4.31Å; T107-I133 VanDerWaalsContact CA-O 3.28Å; T107-I133 WeakPolarHBondContact CA-O 3.28Å; T107-I133 WeakPolarHBondContact CG2-O 3.01Å; D108-I133 PolarHBondContact N-O 2.88Å; D108-I133 PolarHBondContact O-N 3.35Å; Y110-I133 HydrophobicContact CD1-CD1 4.01Å; Y110-I133 HydrophobicContact CD2-CB 3.76Å; Y110-I133 HydrophobicContact CD2-CD1 3.34Å; Y110-I133 HydrophobicContact CD2-CG1 3.45Å; Y110-I133 VanDerWaalsContact CD2-CG1 3.45Å; Y110-I133 HydrophobicContact CE1-CD1 4.24Å; Y110-I133 HydrophobicContact CE2-CB 3.66Å; Y110-I133 HydrophobicContact CE2-CD1 3.65Å; Y110-I133 HydrophobicContact CE2-CG1 3.85Å; Y110-I133 HydrophobicContact CG-CD1 3.56Å; Y110-I133 HydrophobicContact CG-CG1 4.08Å; T131-I133 HydrophobicContact CG2-CG1 4.27Å; T131-I133 PolarHBondContact O-N 3.44Å; I133-V135 HydrophobicContact CG2-CG2 4.17Å
134	H	95.3	Very high	79.4	Confident	70 Å²	70	77.9 Å²	77.9	32%	0.324	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	106.7	175.6	-177.7	62.3	0	0	0	110.4	M28 L29 V30 A31 T107 K136	M28-H134 HydrophobicContact CE-CB 3.82Å; L29-H134 PolarHBondContact O-N 2.69Å; V30-H134 WeakPolarHBondContact CA-O 3.2Å; A31-H134 PolarHBondContact N-O 3.44Å; T107-H134 HydrophobicContact CG2-CB 4.47Å; H134-K136 PolarHBondContact O-N 2.89Å
135	V	94.2	Very high	77.2	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	105	177.4	-173.9	0	0	0	0	108.4	A31 L102 T107 I133 G137	A31-V135 HydrophobicContact CB-CB 4.3Å; A31-V135 HydrophobicContact CB-CG1 4.26Å; A31-V135 HydrophobicContact CB-CG2 4Å; L102-V135 HydrophobicContact CB-CG1 4.21Å; L102-V135 HydrophobicContact CB-CG2 3.93Å; L102-V135 HydrophobicContact CD1-CG2 4.09Å; T107-V135 PolarHBondContact OG1-N 3.02Å; I133-V135 HydrophobicContact CG2-CG2 4.17Å; V135-G137 PolarHBondContact O-N 3.35Å
136	K	88.8	Confident	75	Confident	112 Å²	112	90 Å²	90	49%	0.487	47%	0.474	S	S	.	.			trans	-70.4	124.4	176.3	-72.4	-178.3	177.4	178.6	0	109.1	V30 H134	V30-K136 HydrophobicContact CG1-CD 3.71Å; V30-K136 HydrophobicContact CG1-CG 3.95Å; H134-K136 PolarHBondContact O-N 2.89Å
137	G	79.3	Confident	73.2	Confident	29 Å²	29	90.2 Å²	90.2	30%	0.299	48%	0.484	S	S	.	.			trans	-61.8	144	166.5	0	0	0	0	0	109.9	V135 H139	V135-G137 PolarHBondContact O-N 3.35Å; G137-H139 PolarHBondContact O-N 2.92Å
138	K	69.8	Low	71.8	Confident	152 Å²	152	86.4 Å²	86.4	66%	0.661	48%	0.483	S	S	*	.			trans	-69.3	61.2	159	-63.8	-171.9	179.5	-168.3	0	108.4	D33 L140	D33-K138 WeakPolarHBondContact OD1-CE 3.28Å; D33-K138 IonicContact OD1-NZ 2.9Å; D33-K138 PolarHBondContact OD1-NZ 2.65Å; K138-L140 PolarHBondContact O-N 2.93Å
139	H	57.9	Low	70.3	Confident	166 Å²	166	90.2 Å²	90.2	77%	0.769	51%	0.508	S	S	*	.			trans	-65.9	96.3	148.7	-78.4	-62.1	0	0	0	103.7	G137 C141	G137-H139 PolarHBondContact O-N 2.92Å; H139-C141 PolarHBondContact O-N 3.42Å
140	L	54.8	Low	68.7	Low	159 Å²	159	85.7 Å²	85.7	83%	0.832	49%	0.488	S	S	*	.			trans	-49.1	83.1	135.7	-67.3	165.4	0	0	0	104	K138 P142	K138-L140 PolarHBondContact O-N 2.93Å; L140-P142 VanDerWaalsContact C-N 3.3Å; L140-P142 VanDerWaalsContact O-CD 3.23Å; L140-P142 WeakPolarHBondContact O-CD 3.41Å
141	C	52.9	Low	67.1	Low	96 Å²	96	94.6 Å²	94.6	65%	0.649	53%	0.525	S	S	*	.			trans	-46.6	119.7	143.7	-72.5	0	0	0	0	100.9	H139 S143	H139-C141 PolarHBondContact O-N 3.42Å; C141-S143 VanDerWaalsContact C-N 3.26Å; C141-S143 PolarHBondContact O-N 2.9Å
142	P	50.4	Low	65.6	Low	107 Å²	107	98.1 Å²	98.1	70%	0.695	55%	0.548	S	S	*	.			trans	-44.9	119	155.2	-14	26.6	0	0	0	101.1	L140	L140-P142 VanDerWaalsContact C-N 3.3Å; L140-P142 VanDerWaalsContact O-CD 3.23Å; L140-P142 WeakPolarHBondContact O-CD 3.41Å
143	S	49.3	Very low	64.3	Low	85 Å²	85	99.7 Å²	99.7	59%	0.594	55%	0.552	S	S	*	*			trans	-40.2	129.7	158.2	50.6	0	0	0	0	102.7	C141 L145	C141-S143 VanDerWaalsContact C-N 3.26Å; C141-S143 PolarHBondContact O-N 2.9Å; S143-L145 VanDerWaalsContact C-N 3.25Å; S143-L145 PolarHBondContact O-N 2.93Å
144	P	48.9	Very low	63.5	Low	96 Å²	96	107.5 Å²	107.5	62%	0.623	58%	0.581	S	S	*	*			trans	-45	117.6	167.4	19.2	-27.6	0	0	0	101.7	F146	P144-F146 PolarHBondContact O-N 2.96Å
145	L	45.9	Very low	62.7	Low	144 Å²	144	106.7 Å²	106.7	75%	0.754	59%	0.587	S	S	*	*			trans	-54.9	95.6	157.1	-96.3	87.9	0	0	0	97.6	S143 P147	S143-L145 VanDerWaalsContact C-N 3.25Å; S143-L145 PolarHBondContact O-N 2.93Å; L145-P147 WeakPolarHBondContact O-CD 3.38Å
146	F	46.6	Very low	62.1	Low	175 Å²	175	112.6 Å²	112.6	77%	0.768	62%	0.618	S	S	*	*			trans	-39	106.7	143.9	-80	-77.9	0	0	0	99.3	P144 G148	P144-F146 PolarHBondContact O-N 2.96Å; F146-G148 PolarHBondContact O-N 3.03Å
147	P	50.6	Low	62	Low	104 Å²	104	110.8 Å²	110.8	68%	0.675	62%	0.616	S	S	*	*			trans	-59.2	99	-179.8	-19.1	31.8	0	0	0	101	L145 P149	L145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-P149 VanDerWaalsContact O-N 3.11Å
148	G	58.3	Low	62.5	Low	54 Å²	54	113.9 Å²	113.9	56%	0.557	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	129.9	-175.6	0	0	0	0	0	103.7	F146 S150	F146-G148 PolarHBondContact O-N 3.03Å; G148-S150 WeakPolarHBondContact O-CA 3.09Å; G148-S150 PolarHBondContact O-N 2.92Å
149	P	56.2	Low	63.5	Low	93 Å²	93	111.3 Å²	111.3	60%	0.604	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-33	105.2	-150.3	12.9	-30.7	0	0	0	109	P147 K151	P147-P149 VanDerWaalsContact O-N 3.11Å; P149-K151 PolarHBondContact O-N 3.5Å; P149-K151 VanDerWaalsContact O-N 3.07Å
150	S	59	Low	65.2	Low	64 Å²	64	105.3 Å²	105.3	45%	0.448	61%	0.609	S	S	.	*			trans	-38.5	121.7	-168.2	51.5	0	0	0	0	108.6	G148 P152 F153	G148-S150 WeakPolarHBondContact O-CA 3.09Å; G148-S150 PolarHBondContact O-N 2.92Å; S150-P152 WeakPolarHBondContact O-CD 3.29Å; S150-F153 PolarHBondContact O-N 3.47Å
151	K	60.4	Low	67	Low	193 Å²	193	99.4 Å²	99.4	84%	0.839	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-37.6	-26.3	179.8	-69.7	172.4	178.7	170.2	0	116.1	P149 F153	P149-K151 PolarHBondContact O-N 3.5Å; P149-K151 VanDerWaalsContact O-N 3.07Å; K151-F153 VanDerWaalsContact C-N 3.35Å; K151-F153 PolarHBondContact O-N 2.98Å
152	P	65.1	Low	69	Low	76 Å²	76	99.5 Å²	99.5	49%	0.494	58%	0.584	S	S	.	*	H	α-helix	trans	-61.9	-24.4	168.7	22.4	-38.1	0	0	0	117.2	S150 A155 L156	S150-P152 WeakPolarHBondContact O-CD 3.29Å; P152-A155 PolarHBondContact O-N 3.36Å; P152-L156 WeakPolarHBondContact O-CB 2.99Å; P152-L156 WeakPolarHBondContact O-CG 3.27Å; P152-L156 PolarHBondContact O-N 3.15Å
153	F	70.5	Confident	71.1	Confident	119 Å²	119	100.2 Å²	100.2	52%	0.522	58%	0.581	S	S	.	*	H	α-helix	trans	-65.2	-48.1	-176.4	179.2	-101.6	0	0	0	111.8	S150 K151 A155 L156 V157	S150-F153 PolarHBondContact O-N 3.47Å; K151-F153 VanDerWaalsContact C-N 3.35Å; K151-F153 PolarHBondContact O-N 2.98Å; F153-A155 VanDerWaalsContact C-N 3.33Å; F153-A155 PolarHBondContact O-N 3.17Å; F153-L156 PolarHBondContact O-N 3.17Å; F153-V157 HydrophobicContact CD1-CG2 4.4Å; F153-V157 HydrophobicContact CE1-CG2 4.03Å; F153-V157 HydrophobicContact CE2-CG2 4.46Å; F153-V157 HydrophobicContact CZ-CG2 4.07Å; F153-V157 WeakPolarHBondContact O-CG2 3.18Å; F153-V157 PolarHBondContact O-N 3.32Å
154	W	78.6	Confident	73.2	Confident	163 Å²	163	98.5 Å²	98.5	62%	0.617	57%	0.572	S	S	*	*	H	α-helix	trans	-67.5	-34.5	177	-70.6	103.3	0	0	0	112.2	V157 V158	W154-V157 PolarHBondContact O-N 2.81Å; W154-V158 VanDerWaalsContact O-CG2 3.27Å; W154-V158 WeakPolarHBondContact O-CG2 3.35Å; W154-V158 PolarHBondContact O-N 3.34Å
155	A	80.2	Confident	75.4	Confident	54 Å²	54	97.7 Å²	97.7	45%	0.446	57%	0.568	S	S	.	*	H	α-helix	trans	-62.7	-42.4	174	0	0	0	0	0	111.7	P152 F153 V158 V159	P152-A155 PolarHBondContact O-N 3.36Å; F153-A155 VanDerWaalsContact C-N 3.33Å; F153-A155 PolarHBondContact O-N 3.17Å; A155-V158 PolarHBondContact O-N 2.93Å; A155-V159 WeakPolarHBondContact O-CB 3.32Å; A155-V159 VanDerWaalsContact O-CG2 3.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.38Å; A155-V159 PolarHBondContact O-N 3.36Å
156	L	81.1	Confident	77.7	Confident	124 Å²	124	98.3 Å²	98.3	65%	0.649	56%	0.561	S	S	*	*	H	α-helix	trans	-67.1	-38	176.5	-73	170.9	0	0	0	112.6	P152 F153 G160	P152-L156 WeakPolarHBondContact O-CB 2.99Å; P152-L156 WeakPolarHBondContact O-CG 3.27Å; P152-L156 PolarHBondContact O-N 3.15Å; F153-L156 PolarHBondContact O-N 3.17Å; L156-G160 PolarHBondContact O-N 2.88Å
157	V	86.6	Confident	80	Confident	73 Å²	73	92.9 Å²	92.9	44%	0.442	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-43.8	175.1	171.9	0	0	0	0	110.9	F153 W154 G161	F153-V157 HydrophobicContact CD1-CG2 4.4Å; F153-V157 HydrophobicContact CE1-CG2 4.03Å; F153-V157 HydrophobicContact CE2-CG2 4.46Å; F153-V157 HydrophobicContact CZ-CG2 4.07Å; F153-V157 WeakPolarHBondContact O-CG2 3.18Å; F153-V157 PolarHBondContact O-N 3.32Å; W154-V157 PolarHBondContact O-N 2.81Å; V157-G161 PolarHBondContact O-N 2.65Å
158	V	89.4	Confident	82.1	Confident	94 Å²	94	93.2 Å²	93.2	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-65.4	-48	177.6	172.1	0	0	0	0	111	W154 A155 G160 G161 V162	W154-V158 VanDerWaalsContact O-CG2 3.27Å; W154-V158 WeakPolarHBondContact O-CG2 3.35Å; W154-V158 PolarHBondContact O-N 3.34Å; A155-V158 PolarHBondContact O-N 2.93Å; V158-G160 PolarHBondContact O-N 2.78Å; V158-G161 PolarHBondContact O-N 2.77Å; V158-V162 WeakPolarHBondContact O-CG2 3.29Å; V158-V162 PolarHBondContact O-N 2.85Å
159	V	91.5	Very high	83.9	Confident	99 Å²	99	96.5 Å²	96.5	60%	0.6	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-43.2	178.8	171.8	0	0	0	0	111.3	A155 V162 L163	A155-V159 WeakPolarHBondContact O-CB 3.32Å; A155-V159 VanDerWaalsContact O-CG2 3.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.38Å; A155-V159 PolarHBondContact O-N 3.36Å; V159-V162 PolarHBondContact O-N 2.86Å; V159-L163 PolarHBondContact O-N 2.99Å; V159-L163 VanDerWaalsContact O-N 3.08Å
160	G	92.3	Very high	85.7	Confident	39 Å²	39	95.5 Å²	95.5	40%	0.402	54%	0.537	S	S	.	.	H	α-helix	trans	-62.5	-42	176.3	0	0	0	0	0	112.6	L156 V158 L163 A164	L156-G160 PolarHBondContact O-N 2.88Å; V158-G160 PolarHBondContact O-N 2.78Å; G160-L163 PolarHBondContact O-N 2.02Å; G160-A164 WeakPolarHBondContact O-CB 3.3Å; G160-A164 PolarHBondContact O-N 2.85Å
161	G	93.2	Very high	87.4	Confident	36 Å²	36	96.3 Å²	96.3	37%	0.371	54%	0.54	S	S	.	.	H	α-helix	trans	-61.8	-46.5	175.7	0	0	0	0	0	112.8	V157 V158 L163 A164 C165	V157-G161 PolarHBondContact O-N 2.65Å; V158-G161 PolarHBondContact O-N 2.77Å; G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.81Å; G161-A164 PolarHBondContact O-N 2.81Å; G161-C165 PolarHBondContact O-N 2.93Å; G161-C165 PolarHBondContact O-SG 3.4Å; G161-C165 VanDerWaalsContact O-SG 3.37Å
162	V	94.6	Very high	89.1	Confident	97 Å²	97	90.7 Å²	90.7	59%	0.588	52%	0.521	S	S	*	.	H	α-helix	trans	-61.8	-43.1	178.3	173.4	0	0	0	0	111.3	V158 V159 C165 Y166	V158-V162 WeakPolarHBondContact O-CG2 3.29Å; V158-V162 PolarHBondContact O-N 2.85Å; V159-V162 PolarHBondContact O-N 2.86Å; V162-C165 PolarHBondContact O-N 2.78Å; V162-Y166 WeakPolarHBondContact O-CB 3.18Å; V162-Y166 PolarHBondContact O-N 3.5Å
163	L	94.9	Very high	90.4	Very high	122 Å²	122	89.8 Å²	89.8	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-64.7	-40.8	179	-171.9	65.8	0	0	0	112	V159 G160 G161 Y166 S167	V159-L163 PolarHBondContact O-N 2.99Å; V159-L163 VanDerWaalsContact O-N 3.08Å; G160-L163 PolarHBondContact O-N 2.02Å; G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.81Å; L163-Y166 PolarHBondContact O-N 2.84Å; L163-S167 PolarHBondContact O-N 3.36Å; L163-S167 PolarHBondContact O-OG 2.79Å
164	A	94.3	Very high	91.5	Very high	50 Å²	50	90.3 Å²	90.3	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-40.3	177.1	0	0	0	0	0	112.4	G160 G161 S167 L168	G160-A164 WeakPolarHBondContact O-CB 3.3Å; G160-A164 PolarHBondContact O-N 2.85Å; G161-A164 PolarHBondContact O-N 2.81Å; A164-S167 PolarHBondContact O-OG 2.84Å; A164-L168 PolarHBondContact O-N 2.86Å; A164-L168 VanDerWaalsContact O-N 3.07Å
165	C	93.9	Very high	92.1	Very high	79 Å²	79	85.2 Å²	85.2	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-42.7	174.3	-71.1	0	0	0	0	111.5	G161 V162 L168 L169	G161-C165 PolarHBondContact O-N 2.93Å; G161-C165 PolarHBondContact O-SG 3.4Å; G161-C165 VanDerWaalsContact O-SG 3.37Å; V162-C165 PolarHBondContact O-N 2.78Å; C165-L168 PolarHBondContact O-N 2.82Å; C165-L169 WeakPolarHBondContact O-CG 3.4Å; C165-L169 PolarHBondContact O-N 3.21Å
166	Y	95.3	Very high	92.6	Very high	156 Å²	156	86.6 Å²	86.6	61%	0.612	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-43.1	178.5	-174.5	-100.3	0	0	0	112.1	V162 L163 L168 L169 V170	V162-Y166 WeakPolarHBondContact O-CB 3.18Å; V162-Y166 PolarHBondContact O-N 3.5Å; L163-Y166 PolarHBondContact O-N 2.84Å; Y166-L168 VanDerWaalsContact C-N 3.35Å; Y166-L168 PolarHBondContact O-N 3.23Å; Y166-L169 PolarHBondContact O-N 2.83Å; Y166-V170 HydrophobicContact CD1-CG2 4.13Å; Y166-V170 HydrophobicContact CE1-CG2 3.74Å; Y166-V170 HydrophobicContact CE2-CG2 4.38Å; Y166-V170 WeakPolarHBondContact O-CG2 3.47Å; Y166-V170 PolarHBondContact O-N 2.84Å
167	S	94.4	Very high	93	Very high	62 Å²	62	87.6 Å²	87.6	43%	0.434	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-38.3	177.3	67	0	0	0	0	112.3	L163 A164 V170 T171	L163-S167 PolarHBondContact O-N 3.36Å; L163-S167 PolarHBondContact O-OG 2.79Å; A164-S167 PolarHBondContact O-OG 2.84Å; S167-V170 PolarHBondContact O-N 2.81Å; S167-T171 WeakPolarHBondContact O-CB 3.45Å; S167-T171 VanDerWaalsContact O-CG2 3.29Å; S167-T171 WeakPolarHBondContact O-CG2 3.39Å; S167-T171 PolarHBondContact O-N 2.83Å; S167-T171 PolarHBondContact O-OG1 2.99Å
168	L	95	Very high	93.1	Very high	111 Å²	111	91.5 Å²	91.5	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-44.3	172	-87	168.6	0	0	0	112.2	A164 C165 Y166 V170 T171 V172	A164-L168 PolarHBondContact O-N 2.86Å; A164-L168 VanDerWaalsContact O-N 3.07Å; C165-L168 PolarHBondContact O-N 2.82Å; Y166-L168 VanDerWaalsContact C-N 3.35Å; Y166-L168 PolarHBondContact O-N 3.23Å; L168-V170 PolarHBondContact O-N 3.41Å; L168-T171 WeakPolarHBondContact CA-OG1 3.21Å; L168-T171 PolarHBondContact O-N 3.47Å; L168-T171 PolarHBondContact O-OG1 2.9Å; L168-V172 WeakPolarHBondContact O-CB 3.23Å; L168-V172 VanDerWaalsContact O-CG2 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 2.8Å
169	L	94.8	Very high	92.9	Very high	122 Å²	122	93.6 Å²	93.6	64%	0.639	52%	0.522	S	S	*	.	H	α-helix	trans	-64.4	-42.7	179	-70.4	175	0	0	0	112.1	C165 Y166 V172 A173	C165-L169 WeakPolarHBondContact O-CG 3.4Å; C165-L169 PolarHBondContact O-N 3.21Å; Y166-L169 PolarHBondContact O-N 2.83Å; L169-V172 PolarHBondContact O-N 2Å; L169-A173 VanDerWaalsContact O-CB 3.32Å; L169-A173 WeakPolarHBondContact O-CB 3.36Å; L169-A173 PolarHBondContact O-N 2.88Å
170	V	94.9	Very high	92.6	Very high	73 Å²	73	97.9 Å²	97.9	44%	0.442	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-44.3	177.5	173.2	0	0	0	0	111.1	Y166 S167 L168 A173 F174	Y166-V170 HydrophobicContact CD1-CG2 4.13Å; Y166-V170 HydrophobicContact CE1-CG2 3.74Å; Y166-V170 HydrophobicContact CE2-CG2 4.38Å; Y166-V170 WeakPolarHBondContact O-CG2 3.47Å; Y166-V170 PolarHBondContact O-N 2.84Å; S167-V170 PolarHBondContact O-N 2.81Å; L168-V170 PolarHBondContact O-N 3.41Å; V170-A173 PolarHBondContact O-N 3.27Å; V170-F174 WeakPolarHBondContact O-CB 3.25Å; V170-F174 PolarHBondContact O-N 2.62Å
171	T	94.7	Very high	92.1	Very high	81 Å²	81	97.8 Å²	97.8	50%	0.497	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-41.8	178.6	50.1	0	0	0	0	112.1	S167 L168 F174 S175	S167-T171 WeakPolarHBondContact O-CB 3.45Å; S167-T171 VanDerWaalsContact O-CG2 3.29Å; S167-T171 WeakPolarHBondContact O-CG2 3.39Å; S167-T171 PolarHBondContact O-N 2.83Å; S167-T171 PolarHBondContact O-OG1 2.99Å; L168-T171 WeakPolarHBondContact CA-OG1 3.21Å; L168-T171 PolarHBondContact O-N 3.47Å; L168-T171 PolarHBondContact O-OG1 2.9Å; T171-F174 PolarHBondContact O-N 2.86Å; T171-S175 WeakPolarHBondContact O-CB 3.3Å; T171-S175 PolarHBondContact O-N 2.88Å
172	V	94.9	Very high	91.4	Very high	74 Å²	74	102.3 Å²	102.3	45%	0.448	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-48.4	174.5	171	0	0	0	0	110.8	L168 L169 F174 S175 I176	L168-V172 WeakPolarHBondContact O-CB 3.23Å; L168-V172 VanDerWaalsContact O-CG2 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 2.8Å; L169-V172 PolarHBondContact O-N 2Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 2.94Å; V172-S175 PolarHBondContact O-N 2.98Å; V172-S175 PolarHBondContact O-OG 2.92Å; V172-I176 HydrophobicContact CG1-CD1 3.81Å; V172-I176 HydrophobicContact CG1-CG1 4.45Å; V172-I176 WeakPolarHBondContact O-CG1 3.43Å; V172-I176 PolarHBondContact O-N 2.8Å
173	A	94.2	Very high	90.6	Very high	57 Å²	57	106.5 Å²	106.5	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-59.2	-44.2	178.1	0	0	0	0	0	112	L169 V170 I176 F177	L169-A173 VanDerWaalsContact O-CB 3.32Å; L169-A173 WeakPolarHBondContact O-CB 3.36Å; L169-A173 PolarHBondContact O-N 2.88Å; V170-A173 PolarHBondContact O-N 3.27Å; A173-I176 PolarHBondContact O-N 3.22Å; A173-F177 PolarHBondContact O-N 3.16Å
174	F	93.6	Very high	89.5	Confident	130 Å²	130	103.8 Å²	103.8	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-62.9	-42.2	176	-172.7	-98.9	0	0	0	111.8	V170 T171 V172 I176 F177 W178	V170-F174 WeakPolarHBondContact O-CB 3.25Å; V170-F174 PolarHBondContact O-N 2.62Å; T171-F174 PolarHBondContact O-N 2.86Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 2.94Å; F174-I176 VanDerWaalsContact C-N 3.34Å; F174-I176 PolarHBondContact O-N 2.69Å; F174-F177 PolarHBondContact O-N 3.21Å; F174-W178 HydrophobicContact CE1-CE3 4.49Å; F174-W178 HydrophobicContact CZ-CE3 4.31Å; F174-W178 VanDerWaalsContact O-CB 3.26Å; F174-W178 WeakPolarHBondContact O-CB 3.14Å; F174-W178 PolarHBondContact O-N 3.09Å
175	S	89.4	Confident	88.5	Confident	57 Å²	57	110.6 Å²	110.6	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-62.9	-39	177.3	77.6	0	0	0	0	112.3	T171 V172 W178 M179	T171-S175 WeakPolarHBondContact O-CB 3.3Å; T171-S175 PolarHBondContact O-N 2.88Å; V172-S175 PolarHBondContact O-N 2.98Å; V172-S175 PolarHBondContact O-OG 2.92Å; S175-W178 PolarHBondContact O-N 3.35Å; S175-M179 VanDerWaalsContact O-CB 3.27Å; S175-M179 WeakPolarHBondContact O-CB 3.45Å; S175-M179 WeakPolarHBondContact O-CG 3.42Å; S175-M179 PolarHBondContact O-N 2.88Å
176	I	92	Very high	87.3	Confident	83 Å²	83	111.5 Å²	111.5	43%	0.426	54%	0.541	S	S	.	.	H	α-helix	trans	-68.1	-45.2	177.3	-67.1	167.1	0	0	0	110	V172 A173 F174 W178 M179 R180	V172-I176 HydrophobicContact CG1-CD1 3.81Å; V172-I176 HydrophobicContact CG1-CG1 4.45Å; V172-I176 WeakPolarHBondContact O-CG1 3.43Å; V172-I176 PolarHBondContact O-N 2.8Å; A173-I176 PolarHBondContact O-N 3.22Å; F174-I176 VanDerWaalsContact C-N 3.34Å; F174-I176 PolarHBondContact O-N 2.69Å; I176-W178 VanDerWaalsContact C-N 3.33Å; I176-W178 PolarHBondContact O-N 2.75Å; I176-M179 PolarHBondContact O-N 2.78Å; I176-R180 HydrophobicContact CG2-CG 4.46Å; I176-R180 WeakPolarHBondContact O-CB 3.41Å; I176-R180 WeakPolarHBondContact O-CG 3.5Å; I176-R180 PolarHBondContact O-N 3.3Å
177	F	90.1	Very high	85.8	Confident	144 Å²	144	109.1 Å²	109.1	63%	0.632	54%	0.538	S	S	*	.	H	α-helix	trans	-61	-44.5	176.4	-177.7	-99.1	0	0	0	111.2	A173 F174 R180 S181	A173-F177 PolarHBondContact O-N 3.16Å; F174-F177 PolarHBondContact O-N 3.21Å; F177-R180 PolarHBondContact O-N 3.3Å; F177-S181 VanDerWaalsContact O-CB 3.31Å; F177-S181 WeakPolarHBondContact O-CB 3.48Å; F177-S181 PolarHBondContact O-N 3.36Å
178	W	87.8	Confident	84.3	Confident	156 Å²	156	112.5 Å²	112.5	59%	0.591	55%	0.547	S	S	*	.	H	α-helix	trans	-61.8	-47.1	176.5	-173	-95.8	0	0	0	112.2	F174 S175 I176 R180 S181 K182	F174-W178 HydrophobicContact CE1-CE3 4.49Å; F174-W178 HydrophobicContact CZ-CE3 4.31Å; F174-W178 VanDerWaalsContact O-CB 3.26Å; F174-W178 WeakPolarHBondContact O-CB 3.14Å; F174-W178 PolarHBondContact O-N 3.09Å; S175-W178 PolarHBondContact O-N 3.35Å; I176-W178 VanDerWaalsContact C-N 3.33Å; I176-W178 PolarHBondContact O-N 2.75Å; W178-R180 PolarHBondContact O-N 3.23Å; W178-S181 PolarHBondContact O-N 3.43Å; W178-K182 WeakPolarHBondContact O-CB 3.19Å; W178-K182 PolarHBondContact O-N 2.55Å
179	M	85.9	Confident	82.7	Confident	138 Å²	138	110.5 Å²	110.5	68%	0.68	54%	0.543	S	S	*	.	H	α-helix	trans	-60.7	-43.6	176.2	-77.5	-100.2	-80.2	0	0	111.9	S175 I176 K182 R183	S175-M179 VanDerWaalsContact O-CB 3.27Å; S175-M179 WeakPolarHBondContact O-CB 3.45Å; S175-M179 WeakPolarHBondContact O-CG 3.42Å; S175-M179 PolarHBondContact O-N 2.88Å; I176-M179 PolarHBondContact O-N 2.78Å; M179-K182 PolarHBondContact O-N 2.94Å; M179-R183 VanDerWaalsContact O-CB 3.29Å; M179-R183 WeakPolarHBondContact O-CB 3.19Å; M179-R183 PolarHBondContact O-N 2.96Å
180	R	83.9	Confident	81.1	Confident	188 Å²	188	111.2 Å²	111.2	71%	0.709	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-45	176.3	-76.7	-174.8	176.7	-169.8	0.3	111.7	I176 F177 W178 K182 R183 S184	I176-R180 HydrophobicContact CG2-CG 4.46Å; I176-R180 WeakPolarHBondContact O-CB 3.41Å; I176-R180 WeakPolarHBondContact O-CG 3.5Å; I176-R180 PolarHBondContact O-N 3.3Å; F177-R180 PolarHBondContact O-N 3.3Å; W178-R180 PolarHBondContact O-N 3.23Å; R180-K182 VanDerWaalsContact C-N 3.35Å; R180-K182 PolarHBondContact O-N 3.14Å; R180-R183 PolarHBondContact O-N 3.29Å; R180-S184 PolarHBondContact O-N 3.34Å; R180-S184 PolarHBondContact O-OG 2.77Å
181	S	81.5	Confident	79.4	Confident	38 Å²	38	116.8 Å²	116.8	27%	0.266	56%	0.561	S	S	.	*	H	α-helix	trans	-62.2	-41.9	176.7	-173.4	0	0	0	0	111.8	F177 W178 S184 R185	F177-S181 VanDerWaalsContact O-CB 3.31Å; F177-S181 WeakPolarHBondContact O-CB 3.48Å; F177-S181 PolarHBondContact O-N 3.36Å; W178-S181 PolarHBondContact O-N 3.43Å; S181-S184 WeakPolarHBondContact CA-OG 3.45Å; S181-S184 PolarHBondContact O-N 2.87Å; S181-S184 PolarHBondContact O-OG 3.39Å; S181-R185 WeakPolarHBondContact O-CB 3.47Å; S181-R185 WeakPolarHBondContact O-CG 3.29Å; S181-R185 PolarHBondContact O-N 2.97Å
182	K	79.2	Confident	77.7	Confident	131 Å²	131	118.6 Å²	118.6	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-65.6	-42.4	175.4	-166.1	176.1	-178.7	-177.2	0	111.4	W178 M179 R180 R185 L186	W178-K182 WeakPolarHBondContact O-CB 3.19Å; W178-K182 PolarHBondContact O-N 2.55Å; M179-K182 PolarHBondContact O-N 2.94Å; R180-K182 VanDerWaalsContact C-N 3.35Å; R180-K182 PolarHBondContact O-N 3.14Å; K182-R185 PolarHBondContact O-N 3.11Å; K182-L186 HydrophobicContact CG-CD1 4.23Å; K182-L186 PolarHBondContact O-N 3.36Å
183	R	77.7	Confident	75.9	Confident	184 Å²	184	120.8 Å²	120.8	69%	0.694	58%	0.575	S	S	*	*	H	α-helix	trans	-64.3	-39.8	175.8	-172.3	176.6	179.6	172.7	-0	112.3	M179 R180 L186 L187	M179-R183 VanDerWaalsContact O-CB 3.29Å; M179-R183 WeakPolarHBondContact O-CB 3.19Å; M179-R183 PolarHBondContact O-N 2.96Å; R180-R183 PolarHBondContact O-N 3.29Å; R183-L186 PolarHBondContact O-N 2.83Å; R183-L187 HydrophobicContact CG-CD1 4.22Å; R183-L187 WeakPolarHBondContact O-CB 3.12Å; R183-L187 PolarHBondContact O-N 3.05Å
184	S	71.8	Confident	74.3	Confident	66 Å²	66	126.3 Å²	126.3	46%	0.462	59%	0.593	S	S	.	*	H	α-helix	trans	-67.9	-37	174.8	58.4	0	0	0	0	112.1	R180 S181 H188	R180-S184 PolarHBondContact O-N 3.34Å; R180-S184 PolarHBondContact O-OG 2.77Å; S181-S184 WeakPolarHBondContact CA-OG 3.45Å; S181-S184 PolarHBondContact O-N 2.87Å; S181-S184 PolarHBondContact O-OG 3.39Å; S184-H188 WeakPolarHBondContact O-CB 3.35Å; S184-H188 PolarHBondContact O-N 2.93Å
185	R	72.6	Confident	72.5	Confident	192 Å²	192	124.8 Å²	124.8	73%	0.725	59%	0.594	S	S	*	*	H	α-helix	trans	-64.1	-42.1	173.2	-74.7	-178.7	-178.8	-158.7	0.7	112	S181 K182 H188 S189	S181-R185 WeakPolarHBondContact O-CB 3.47Å; S181-R185 WeakPolarHBondContact O-CG 3.29Å; S181-R185 PolarHBondContact O-N 2.97Å; K182-R185 PolarHBondContact O-N 3.11Å; R185-H188 PolarHBondContact O-N 2.79Å; R185-S189 PolarHBondContact O-N 3.13Å
186	L	69.5	Low	70.8	Confident	98 Å²	98	127.9 Å²	127.9	51%	0.513	61%	0.613	S	S	.	*	H	α-helix	trans	-66	-44.2	175.6	-81.3	156.6	0	0	0	112.7	K182 R183 H188 S189 D190	K182-L186 HydrophobicContact CG-CD1 4.23Å; K182-L186 PolarHBondContact O-N 3.36Å; R183-L186 PolarHBondContact O-N 2.83Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 3.43Å; L186-S189 PolarHBondContact O-N 3.01Å; L186-S189 PolarHBondContact O-OG 2.79Å; L186-D190 PolarHBondContact O-N 3.09Å
187	L	64.3	Low	69.1	Low	107 Å²	107	135.5 Å²	135.5	56%	0.56	64%	0.636	S	S	*	*	H	α-helix	trans	-63.8	-34.5	175.4	-82	165.1	0	0	0	112.5	R183 S189 D190 Y191	R183-L187 HydrophobicContact CG-CD1 4.22Å; R183-L187 WeakPolarHBondContact O-CB 3.12Å; R183-L187 PolarHBondContact O-N 3.05Å; L187-S189 VanDerWaalsContact C-N 3.34Å; L187-D190 PolarHBondContact O-N 2.93Å; L187-Y191 PolarHBondContact O-N 3.23Å; L187-Y191 VanDerWaalsContact O-N 3.17Å
188	H	61.9	Low	67.3	Low	132 Å²	132	140 Å²	140	61%	0.611	65%	0.649	S	S	*	*	H	α-helix	trans	-69.5	-30.4	177.2	-167.5	67	0	0	0	112.6	S184 R185 L186	S184-H188 WeakPolarHBondContact O-CB 3.35Å; S184-H188 PolarHBondContact O-N 2.93Å; R185-H188 PolarHBondContact O-N 2.79Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 3.43Å
189	S	61.7	Low	65.8	Low	70 Å²	70	139.1 Å²	139.1	49%	0.49	66%	0.664	S	S	.	*	H	α-helix	trans	-72.2	-31.4	172.9	51.9	0	0	0	0	113.2	R185 L186 L187	R185-S189 PolarHBondContact O-N 3.13Å; L186-S189 PolarHBondContact O-N 3.01Å; L186-S189 PolarHBondContact O-OG 2.79Å; L187-S189 VanDerWaalsContact C-N 3.34Å
190	D	60.8	Low	64.1	Low	136 Å²	136	135.5 Å²	135.5	73%	0.727	66%	0.662	S	S	*	*	H	α-helix	trans	-80.8	-22.5	179.8	-70.2	-20.5	0	0	0	113.1	L186 L187	L186-D190 PolarHBondContact O-N 3.09Å; L187-D190 PolarHBondContact O-N 2.93Å
191	Y	59.5	Low	62.8	Low	191 Å²	191	132.1 Å²	132.1	75%	0.749	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	48.2	177	-140.3	-89.1	0	0	0	112.3	L187 N193	L187-Y191 PolarHBondContact O-N 3.23Å; L187-Y191 VanDerWaalsContact O-N 3.17Å; Y191-N193 VanDerWaalsContact C-N 3.27Å; Y191-N193 PolarHBondContact O-N 2.98Å; Y191-N193 VanDerWaalsContact O-N 3.09Å
192	M	58.7	Low	61.3	Low	118 Å²	118	136.1 Å²	136.1	58%	0.581	69%	0.687	S	S	*	*			trans	-78.5	87	159.6	-72.8	-69.2	153.4	0	0	107.6	M194	M192-M194 PolarHBondContact O-N 3.48Å
193	N	57.7	Low	60	Low	121 Å²	121	140.6 Å²	140.6	65%	0.647	70%	0.701	S	S	*	*			trans	-53.8	100.6	168.3	-178.7	23	0	0	0	108.3	Y191 T195	Y191-N193 VanDerWaalsContact C-N 3.27Å; Y191-N193 PolarHBondContact O-N 2.98Å; Y191-N193 VanDerWaalsContact O-N 3.09Å; N193-T195 PolarHBondContact O-N 2.65Å
194	M	60	Low	58.5	Low	173 Å²	173	141.8 Å²	141.8	85%	0.852	71%	0.711	S	S	*	*			trans	-69.9	85.8	171.8	-61.8	-169.2	-161.6	0	0	107.3	M192	M192-M194 PolarHBondContact O-N 3.48Å
195	T	56.9	Low	57.5	Low	98 Å²	98	147.7 Å²	147.7	60%	0.601	73%	0.731	S	S	*	*			trans	-59.8	124.2	165.2	51	0	0	0	0	107.3	N193 R197	N193-T195 PolarHBondContact O-N 2.65Å; T195-R197 PolarHBondContact O-N 2.91Å
196	P	54	Low	56.4	Low	121 Å²	121	148.6 Å²	148.6	79%	0.786	74%	0.736	S	S	*	*			trans	-62.1	117.2	179.5	24.2	-30.5	0	0	0	107.7	R198	P196-R198 PolarHBondContact O-N 2.85Å
197	R	56.7	Low	55.8	Low	243 Å²	243	152.4 Å²	152.4	92%	0.917	75%	0.751	S	S	*	*			trans	-63.8	107.9	175.8	-75.9	-175	178.7	153.7	0.3	107.9	T195	T195-R197 PolarHBondContact O-N 2.91Å
198	R	51.5	Low	55.5	Low	238 Å²	238	152.5 Å²	152.5	90%	0.898	76%	0.758	S	S	*	*			trans	-57.5	129.9	166.4	-82.6	-170.3	176.9	178.7	0	108.7	P196 G200	P196-R198 PolarHBondContact O-N 2.85Å; R198-G200 PolarHBondContact O-N 2.76Å; R198-G200 VanDerWaalsContact O-N 3.08Å
199	P	55.9	Low	55.2	Low	138 Å²	138	157.3 Å²	157.3	90%	0.896	77%	0.772	S	S	*	*			trans	-71.9	103.2	168.4	-5.6	21.9	0	0	0	107.8
200	G	49.3	Very low	55.1	Low	63 Å²	63	157.8 Å²	157.8	65%	0.649	78%	0.78	S	S	*	*			trans	-120	140.9	173.9	0	0	0	0	0	110.4	R198	R198-G200 PolarHBondContact O-N 2.76Å; R198-G200 VanDerWaalsContact O-N 3.08Å
201	P	57.1	Low	55	Low	117 Å²	117	156.6 Å²	156.6	76%	0.76	78%	0.78	S	S	*	*			trans	-92.8	151.6	-152.3	35.3	-34.2	0	0	0	115.1
202	T	51.2	Low	55	Low	122 Å²	122	153.1 Å²	153.1	75%	0.748	78%	0.781	S	S	*	*			trans	78.1	122.6	146.1	48.8	0	0	0	0	121.5
203	R	50.1	Low	55	Low	225 Å²	225	157.3 Å²	157.3	85%	0.849	79%	0.79	S	S	*	*			trans	72.9	97.9	139.1	-72.5	-179.1	175.2	-175.4	-0.1	117
204	K	47.6	Very low	54.9	Low	209 Å²	209	158.9 Å²	158.9	91%	0.909	80%	0.799	S	S	*	*				-140.3	127.3	120.1	-69	-160.6	177.9	-179.6	0	110
205	H	50.9	Low	54.7	Low	189 Å²	189	158.7 Å²	158.7	88%	0.875	79%	0.793	S	S	*	*			trans	-61.7	130.7	172.7	-82.4	-62.6	0	0	0	110.1
206	Y	49	Very low	54.9	Low	211 Å²	211	158.9 Å²	158.9	83%	0.827	81%	0.805	S	S	*	*			trans	-84.7	113.5	169.3	-165.5	-93.8	0	0	0	107.8
207	Q	56.5	Low	55	Low	179 Å²	179	156.8 Å²	156.8	84%	0.836	80%	0.798	S	S	*	*			trans	-91	122	168.1	-82.4	-170	-42.8	0	0	109	Y209	Q207-Y209 PolarHBondContact O-N 3.48Å
208	P	57.5	Low	54.6	Low	108 Å²	108	156.7 Å²	156.7	70%	0.701	80%	0.799	S	S	*	*			trans	-78	120.1	174	-8.8	25.7	0	0	0	110.6	A210	P208-A210 PolarHBondContact O-N 3.17Å
209	Y	57.3	Low	54.5	Low	233 Å²	233	157.4 Å²	157.4	91%	0.914	80%	0.802	S	S	*	*			trans	-84.4	84.7	168.6	-171.4	-91.9	0	0	0	109	Q207	Q207-Y209 PolarHBondContact O-N 3.48Å
210	A	58.4	Low	54	Low	80 Å²	80	160 Å²	160	66%	0.661	82%	0.823	S	S	*	*			trans	-153.7	116.6	161.9	0	0	0	0	0	109.2	P208	P208-A210 PolarHBondContact O-N 3.17Å
211	P	60.2	Low	54.3	Low	111 Å²	111	164.9 Å²	164.9	72%	0.721	83%	0.832	S	S	*	*			trans	-74.7	139.4	173.2	29	-30.1	0	0	0	110.3	R213	P211-R213 PolarHBondContact O-N 2.81Å
212	P	58.7	Low	54.1	Low	119 Å²	119	167.4 Å²	167.4	77%	0.773	84%	0.836	S	S	*	*			trans	-68.5	129.5	175.3	27.2	-31	0	0	0	110
213	R	58.9	Low	54.3	Low	206 Å²	206	169.9 Å²	169.9	78%	0.777	84%	0.841	S	S	*	*			trans	-85.3	109.3	170.8	-81.3	-167.8	173.9	176	-5.7	109.4	P211 F215	P211-R213 PolarHBondContact O-N 2.81Å; R213-F215 HydrophobicContact CB-CD2 3.99Å; R213-F215 HydrophobicContact CB-CE2 3.58Å; R213-F215 HydrophobicContact CB-CZ 4.21Å; R213-F215 VanDerWaalsContact CD-CZ 3.47Å; R213-F215 HydrophobicContact CG-CE2 4.24Å; R213-F215 HydrophobicContact CG-CZ 4.45Å
214	D	55.4	Low	54.5	Low	153 Å²	153	166.6 Å²	166.6	82%	0.818	84%	0.84	S	S	*	*			trans	-76.3	116.8	164.3	-76	-34.3	0	0	0	109.9
215	F	55.4	Low	54.9	Low	170 Å²	170	164 Å²	164	75%	0.746	84%	0.836	S	S	*	*			trans	-107.7	27.1	175	-75	-73.9	0	0	0	112.8	R213 A217	R213-F215 HydrophobicContact CB-CD2 3.99Å; R213-F215 HydrophobicContact CB-CE2 3.58Å; R213-F215 HydrophobicContact CB-CZ 4.21Å; R213-F215 VanDerWaalsContact CD-CZ 3.47Å; R213-F215 HydrophobicContact CG-CE2 4.24Å; R213-F215 HydrophobicContact CG-CZ 4.45Å; F215-A217 PolarHBondContact O-N 2.81Å
216	A	60.8	Low	55.2	Low	101 Å²	101	162.3 Å²	162.3	84%	0.835	83%	0.833	S	S	*	*			trans	-98.4	57.8	173.5	0	0	0	0	0	111
217	A	55.8	Low	55.7	Low	78 Å²	78	158.9 Å²	158.9	65%	0.645	83%	0.834	S	S	*	*			trans	-159.8	42.7	177.5	0	0	0	0	0	115.3	F215	F215-A217 PolarHBondContact O-N 2.81Å
218	Y	49.2	Very low	55.6	Low	241 Å²	241	157.3 Å²	157.3	95%	0.945	83%	0.834	S	S	*	*			trans	-140.5	105.1	154.3	-77.7	-75.9	0	0	0	109.6
219	R	49.9	Very low	55.4	Low	252 Å²	252	161.4 Å²	161.4	95%	0.951	85%	0.845	S	S	*	*			trans	-71.8	144.8	175.9	-80.1	175.5	160.9	115.5	-5.3	111.3
220	S	45.2	Very low	55.3	Low	193 Å²	193	154.9 Å²	154.9	100%	1.35	84%	0.838	S	S	*	*				-171.1	0	116.9	60.1	0	0	0	0	109.7

Retrieved 220 of 220 residues in 1230.8 ms (Link to these results)

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