A0A077ZFN9_TRITR Loading...

Putative phosphatidylinositol kinase related prot ein

AlphaFold DB , UniProt , Accession A0A077ZFN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	33.4	Very low	103 Å²	103	68.6 Å²	68.6	51%	0.507	47%	0.471	S	S	.	.				0	122.4	0	-163.8	175.7	108.9	0	0	106.2	I3 L53 Y87	M1-I3 HydrophobicContact CE-CD1 4.39Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; M1-L53 HydrophobicContact CB-CD1 4.27Å; M1-L53 HydrophobicContact CB-CD2 3.93Å; M1-L53 HydrophobicContact CE-CD1 4.41Å; M1-Y87 HydrophobicContact CE-CE2 3.82Å; M1-Y87 HydrophobicContact CG-CE2 3.93Å; M1-Y87 HydrophobicContact SD-CE2 3.96Å; M1-Y87 PolarHBondContact SD-OH 2.85Å
2	A	34.4	Very low	32.8	Very low	14 Å²	14	69.4 Å²	69.4	12%	0.116	48%	0.478	C	S	.	.			trans	-105.9	135.3	176.4	0	0	0	0	0	109.7	G54 I56 L81	A2-G54 WeakPolarHBondContact CA-O 3.41Å; A2-G54 VanDerWaalsContact CB-O 3.32Å; A2-G54 WeakPolarHBondContact CB-O 3.49Å; A2-I56 HydrophobicContact CB-CD1 4.36Å; A2-I56 HydrophobicContact CB-CG1 4.35Å; A2-L81 HydrophobicContact CB-CD1 4.3Å
3	I	36.6	Very low	32.1	Very low	40 Å²	40	79.8 Å²	79.8	21%	0.205	51%	0.509	C	S	.	.			trans	-106.1	128.1	174.4	-58.4	174.1	0	0	0	106.4	M1 V5 L33 C55 I56	M1-I3 HydrophobicContact CE-CD1 4.39Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; I3-V5 HydrophobicContact CG2-CG2 4.33Å; I3-L33 HydrophobicContact CD1-CD1 4.28Å; I3-C55 WeakPolarHBondContact O-CB 2.88Å; I3-I56 PolarHBondContact O-N 3.24Å; I3-I56 VanDerWaalsContact O-N 3.1Å
4	L	38.2	Very low	31.7	Very low	46 Å²	46	79.8 Å²	79.8	24%	0.241	51%	0.511	C	S	.	.			trans	-95.7	126.1	177	-151.4	107.7	0	0	0	109.9	I56 L58 A74	L4-I56 WeakPolarHBondContact CA-O 3.34Å; L4-I56 HydrophobicContact CD1-CG2 4.03Å; L4-I56 WeakPolarHBondContact CD1-O 3.48Å; L4-I56 VanDerWaalsContact CG-O 3.31Å; L4-I56 WeakPolarHBondContact CG-O 3.48Å; L4-L58 HydrophobicContact CD1-CB 4.45Å; L4-L58 HydrophobicContact CD1-CD1 3.75Å; L4-L58 HydrophobicContact CD1-CG 3.89Å; L4-L58 HydrophobicContact CD2-CB 4.36Å; L4-L58 HydrophobicContact CD2-CD1 4.33Å; L4-A74 HydrophobicContact CD1-CB 4.27Å; L4-A74 HydrophobicContact CD2-CB 3.93Å
5	V	38.2	Very low	31.6	Very low	25 Å²	25	81.2 Å²	81.2	15%	0.152	52%	0.521	C	S	.	.			trans	-117.4	137.5	178.1	177.5	0	0	0	0	108.9	I3 L30 T57 V92	I3-V5 HydrophobicContact CG2-CG2 4.33Å; V5-L30 HydrophobicContact CB-CD1 4.39Å; V5-L30 HydrophobicContact CG2-CD1 3.95Å; V5-T57 HydrophobicContact CB-CG2 4.31Å; V5-T57 WeakPolarHBondContact O-CG2 3.11Å; V5-V92 HydrophobicContact CB-CG2 4.16Å; V5-V92 HydrophobicContact CG1-CB 3.72Å; V5-V92 HydrophobicContact CG1-CG1 4.37Å; V5-V92 HydrophobicContact CG1-CG2 3.71Å; V5-V92 HydrophobicContact CG2-CG2 3.8Å
6	Y	36.2	Very low	31.2	Very low	116 Å²	116	85.4 Å²	85.4	46%	0.455	53%	0.531	S	S	.	.			trans	-108.3	133.2	-177.5	174.4	-95.7	0	0	0	109.1
7	G	33.7	Very low	30.9	Very low	42 Å²	42	87.9 Å²	87.9	43%	0.433	54%	0.54	S	S	.	.			trans	-139.1	121.8	178.7	0	0	0	0	0	112.1
8	S	30.6	Very low	30.6	Very low	106 Å²	106	91.2 Å²	91.2	74%	0.741	55%	0.553	S	S	*	*			trans	-110.9	93.6	171	59.1	0	0	0	0	109.3
9	G	30.8	Very low	30.6	Very low	71 Å²	71	93.1 Å²	93.1	73%	0.732	55%	0.553	S	S	*	*	S	Bend	trans	168.3	125.8	178.1	0	0	0	0	0	113.5	G11	G9-G11 PolarHBondContact O-N 2.88Å
10	S	29.2	Very low	30.4	Very low	113 Å²	113	93.6 Å²	93.6	79%	0.79	57%	0.568	S	S	*	*	S	Bend	trans	-55.2	113.2	-179.3	46.8	0	0	0	0	113
11	G	25.9	Very low	30.4	Very low	79 Å²	79	96.5 Å²	96.5	81%	0.814	58%	0.581	S	S	*	*			trans	141	56	159.6	0	0	0	0	0	116.1	G9	G9-G11 PolarHBondContact O-N 2.88Å
12	S	25.8	Very low	30.2	Very low	78 Å²	78	98.7 Å²	98.7	55%	0.545	59%	0.594	S	S	.	*			trans	-101.1	104.4	163.1	55	0	0	0	0	110.1
13	K	24.4	Very low	30.1	Very low	205 Å²	205	107.4 Å²	107.4	89%	0.891	63%	0.629	S	S	*	*			trans	-87.3	90.7	160.9	-71.6	-178.6	178.6	179.3	0	106.8
14	C	26.3	Very low	29.8	Very low	79 Å²	79	107.4 Å²	107.4	53%	0.534	64%	0.639	S	S	.	*			trans	-150.4	135.3	172.4	-100.6	0	0	0	0	112.5	E28	C14-E28 WeakPolarHBondContact CB-OE1 3.48Å
15	P	30.3	Very low	29.5	Very low	101 Å²	101	110.7 Å²	110.7	66%	0.656	65%	0.648	S	S	*	*			trans	-111.2	159.5	-169.5	42.4	-34	0	0	0	115
16	H	25.1	Very low	29.2	Very low	148 Å²	148	115 Å²	115	69%	0.685	66%	0.663	S	S	*	*			trans	88.6	106.7	157.6	-71	-71.9	0	0	0	121.4
17	D	25.4	Very low	29.2	Very low	128 Å²	128	111.7 Å²	111.7	68%	0.684	65%	0.652	S	S	*	*				51.4	89.9	122.2	-57.8	-27.4	0	0	0	119.9
18	L	27	Very low	29.1	Very low	148 Å²	148	111.6 Å²	111.6	78%	0.775	64%	0.641	S	S	*	*	S	Bend	trans	-149.6	2.2	147.4	-115.2	142.9	0	0	0	116.9
19	F	29.9	Very low	29.2	Very low	127 Å²	127	111.2 Å²	111.2	56%	0.557	64%	0.638	S	S	*	*			trans	-143.9	73.3	175.7	-60	-82.7	0	0	0	110.5	L27	F19-L27 HydrophobicContact CB-CD1 3.92Å; F19-L27 HydrophobicContact CD2-CB 3.7Å; F19-L27 HydrophobicContact CD2-CD1 3.92Å; F19-L27 HydrophobicContact CD2-CD2 3.64Å; F19-L27 HydrophobicContact CD2-CG 3.97Å; F19-L27 HydrophobicContact CE2-CB 4.29Å; F19-L27 HydrophobicContact CE2-CD2 3.63Å; F19-L27 HydrophobicContact CE2-CG 4.43Å; F19-L27 HydrophobicContact CG-CB 4.47Å; F19-L27 HydrophobicContact CG-CD1 3.88Å; F19-L27 HydrophobicContact CG-CD2 4.23Å; F19-L27 HydrophobicContact CG-CG 4.44Å; F19-L27 HydrophobicContact CZ-CD2 4.21Å
20	A	26.6	Very low	29.1	Very low	103 Å²	103	112.5 Å²	112.5	85%	0.851	63%	0.628	S	S	*	*			trans	-66.7	133.6	157.3	0	0	0	0	0	107.8
21	D	30.1	Very low	29	Very low	155 Å²	155	114.8 Å²	114.8	83%	0.829	63%	0.631	S	S	*	*			trans	98.5	34.8	152	-132.4	12.2	0	0	0	121.1
22	L	28.5	Very low	29.1	Very low	149 Å²	149	118.3 Å²	118.3	78%	0.78	62%	0.624	S	S	*	*	S	Bend	trans	-132.2	96.6	157.4	-72.3	172.5	0	0	0	112.1	G24	L22-G24 PolarHBondContact O-N 3.49Å
23	K	33.2	Very low	29.2	Very low	196 Å²	196	121.2 Å²	121.2	85%	0.852	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	30.1	74.9	157	-68.3	-176.4	177.3	178.2	0	116	W25	K23-W25 PolarHBondContact O-N 2.63Å; K23-W25 PolarHBondContact O-NE1 2.78Å
24	G	30.7	Very low	29.2	Very low	41 Å²	41	120 Å²	120	42%	0.423	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.2	4	158.2	0	0	0	0	0	117.4	L22 R61	L22-G24 PolarHBondContact O-N 3.49Å; G24-R61 PolarHBondContact O-NE 2.93Å
25	W	30.9	Very low	29.2	Very low	115 Å²	115	120.5 Å²	120.5	44%	0.436	64%	0.64	S	S	.	*			trans	-105.9	139.8	178	-54.3	91.7	0	0	0	110.8	K23	K23-W25 PolarHBondContact O-N 2.63Å; K23-W25 PolarHBondContact O-NE1 2.78Å
26	Y	32	Very low	28.9	Very low	115 Å²	115	121.2 Å²	121.2	45%	0.451	65%	0.647	S	S	.	*			trans	-122.6	124.9	175.4	-179.1	-97.2	0	0	0	109.1
27	L	36.2	Very low	29	Very low	46 Å²	46	117.1 Å²	117.1	24%	0.241	64%	0.635	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	128.4	-179.8	-84.5	95.7	0	0	0	110.5	F19 I56	F19-L27 HydrophobicContact CB-CD1 3.92Å; F19-L27 HydrophobicContact CD2-CB 3.7Å; F19-L27 HydrophobicContact CD2-CD1 3.92Å; F19-L27 HydrophobicContact CD2-CD2 3.64Å; F19-L27 HydrophobicContact CD2-CG 3.97Å; F19-L27 HydrophobicContact CE2-CB 4.29Å; F19-L27 HydrophobicContact CE2-CD2 3.63Å; F19-L27 HydrophobicContact CE2-CG 4.43Å; F19-L27 HydrophobicContact CG-CB 4.47Å; F19-L27 HydrophobicContact CG-CD1 3.88Å; F19-L27 HydrophobicContact CG-CD2 4.23Å; F19-L27 HydrophobicContact CG-CG 4.44Å; F19-L27 HydrophobicContact CZ-CD2 4.21Å; L27-I56 HydrophobicContact CD2-CB 3.94Å; L27-I56 HydrophobicContact CD2-CD1 4.16Å; L27-I56 HydrophobicContact CD2-CG1 3.74Å; L27-I56 HydrophobicContact CD2-CG2 3.29Å; L27-I56 HydrophobicContact CG-CG2 4.04Å
28	E	32.5	Very low	28.9	Very low	40 Å²	40	116.8 Å²	116.8	19%	0.187	64%	0.643	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.7	119.5	177.8	-160.1	171.2	-172.8	0	0	110.6	C14 T57 M59	C14-E28 WeakPolarHBondContact CB-OE1 3.48Å; E28-T57 WeakPolarHBondContact O-CB 3.46Å; E28-T57 PolarHBondContact O-OG1 2.84Å; E28-M59 HydrophobicContact CB-CE 4.32Å; E28-M59 WeakPolarHBondContact OE2-CE 3.42Å
29	S	33	Very low	28.9	Very low	98 Å²	98	114.3 Å²	114.3	69%	0.685	63%	0.634	S	S	*	*			trans	-85.7	115.8	177.1	63.4	0	0	0	0	110.9
30	L	28.5	Very low	29.1	Very low	99 Å²	99	112.9 Å²	112.9	52%	0.518	65%	0.646	S	S	.	*			trans	-72.6	146	171.7	-79.9	162	0	0	0	111.4	V5	V5-L30 HydrophobicContact CB-CD1 4.39Å; V5-L30 HydrophobicContact CG2-CD1 3.95Å
31	N	27.3	Very low	29.2	Very low	161 Å²	161	114.6 Å²	114.6	86%	0.861	64%	0.641	S	S	*	*			trans	-58.1	140.4	166.1	-84.9	-42.3	0	0	0	110.4	L33	N31-L33 PolarHBondContact O-N 2.92Å
32	K	28.1	Very low	29.2	Very low	153 Å²	153	109.5 Å²	109.5	67%	0.665	61%	0.613	S	S	*	*			trans	-43.3	116	-174.5	-60.7	171.4	-175.4	-179.8	0	111.6	Q34 P52	K32-Q34 PolarHBondContact O-N 2.68Å; K32-P52 HydrophobicContact CD-CB 3.78Å; K32-P52 VanDerWaalsContact CE-CB 3.42Å; K32-P52 HydrophobicContact CG-CB 4.15Å
33	L	26.6	Very low	29.1	Very low	138 Å²	138	111.7 Å²	111.7	72%	0.723	62%	0.616	S	S	*	*			trans	-62.6	106.4	163.1	-82.1	159.7	0	0	0	107.7	I3 N31 A35	I3-L33 HydrophobicContact CD1-CD1 4.28Å; N31-L33 PolarHBondContact O-N 2.92Å; L33-A35 PolarHBondContact O-N 3.33Å
34	Q	24.8	Very low	28.9	Very low	181 Å²	181	111 Å²	111	85%	0.846	62%	0.616	S	S	*	*			trans	-71.4	109.1	158.4	-79.7	-172	-18.2	0	0	106.2	K32 S36	K32-Q34 PolarHBondContact O-N 2.68Å; Q34-S36 VanDerWaalsContact C-N 3.34Å; Q34-S36 PolarHBondContact O-N 2.97Å
35	A	26.3	Very low	28.8	Very low	89 Å²	89	114.9 Å²	114.9	74%	0.736	63%	0.626	S	S	*	*			trans	-58.7	104.2	164.2	0	0	0	0	0	106.6	L33 S37	L33-A35 PolarHBondContact O-N 3.33Å; A35-S37 PolarHBondContact O-N 2.95Å
36	S	24.7	Very low	28.7	Very low	115 Å²	115	111.7 Å²	111.7	80%	0.804	63%	0.629	S	S	*	*			trans	-73.7	81.6	171.8	58	0	0	0	0	107.1	Q34 S38	Q34-S36 VanDerWaalsContact C-N 3.34Å; Q34-S36 PolarHBondContact O-N 2.97Å; S36-S38 PolarHBondContact O-N 2.86Å
37	S	26.5	Very low	28.8	Very low	63 Å²	63	115.7 Å²	115.7	44%	0.441	65%	0.649	S	S	.	*			trans	-69.7	117.1	166.8	-17	0	0	0	0	108.6	A35 D42	A35-S37 PolarHBondContact O-N 2.95Å; S37-D42 WeakPolarHBondContact CB-OD1 3.22Å; S37-D42 WeakPolarHBondContact CB-OD2 3.46Å; S37-D42 PolarHBondContact OG-OD1 3.39Å
38	S	24.6	Very low	28.5	Very low	120 Å²	120	122.7 Å²	122.7	84%	0.839	68%	0.677	S	S	*	*			trans	-111.7	66.5	165	66.6	0	0	0	0	108.8	S36	S36-S38 PolarHBondContact O-N 2.86Å
39	T	26.7	Very low	28.6	Very low	96 Å²	96	130.3 Å²	130.3	59%	0.589	71%	0.71	S	S	*	*	S	Bend	trans	-132.6	141.3	160.6	36.6	0	0	0	0	107.9	D41 D42	T39-D41 PolarHBondContact O-N 3.31Å; T39-D42 PolarHBondContact O-N 3.17Å; T39-D42 VanDerWaalsContact O-N 3.07Å; T39-D42 PolarHBondContact OG1-OD2 2.86Å
40	A	33.3	Very low	28.5	Very low	97 Å²	97	129.8 Å²	129.8	80%	0.802	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-60	-9.1	-168.9	0	0	0	0	0	114.9	D42	A40-D42 VanDerWaalsContact C-N 3.31Å; A40-D42 PolarHBondContact O-N 2.97Å
41	D	29.6	Very low	28.6	Very low	140 Å²	140	128.5 Å²	128.5	75%	0.749	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-77.1	-11.1	175.9	-66.4	-32.5	0	0	0	114.2	T39 K43 Q44	T39-D41 PolarHBondContact O-N 3.31Å; D41-K43 PolarHBondContact O-N 3.14Å; D41-Q44 PolarHBondContact O-N 3.05Å
42	D	28.3	Very low	28.7	Very low	47 Å²	47	125 Å²	125	25%	0.251	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-74.3	-5	178.9	-68.3	-80	0	0	0	114.7	S37 T39 A40 Q44 I45	S37-D42 WeakPolarHBondContact CB-OD1 3.22Å; S37-D42 WeakPolarHBondContact CB-OD2 3.46Å; S37-D42 PolarHBondContact OG-OD1 3.39Å; T39-D42 PolarHBondContact O-N 3.17Å; T39-D42 VanDerWaalsContact O-N 3.07Å; T39-D42 PolarHBondContact OG1-OD2 2.86Å; A40-D42 VanDerWaalsContact C-N 3.31Å; A40-D42 PolarHBondContact O-N 2.97Å; D42-Q44 PolarHBondContact O-N 2.9Å; D42-I45 PolarHBondContact O-N 2.91Å
43	K	26.8	Very low	29.1	Very low	195 Å²	195	122.3 Å²	122.3	85%	0.848	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-68.2	-11.5	169.3	-78.3	-172	177.5	179.5	0	113.4	D41	D41-K43 PolarHBondContact O-N 3.14Å
44	Q	29.3	Very low	29.4	Very low	181 Å²	181	118.4 Å²	118.4	85%	0.846	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-99.7	-7.8	175.7	-73.6	-163	13.7	0	0	115.6	D41 D42 G46	D41-Q44 PolarHBondContact O-N 3.05Å; D42-Q44 PolarHBondContact O-N 2.9Å; Q44-G46 PolarHBondContact O-N 2.83Å
45	I	28.2	Very low	30.1	Very low	123 Å²	123	111 Å²	111	63%	0.631	65%	0.654	S	S	*	*	S	Bend	trans	-82.3	12	165.3	-41.3	-178.5	0	0	0	110.2	D42 K47	D42-I45 PolarHBondContact O-N 2.91Å; I45-K47 PolarHBondContact O-N 2.81Å
46	G	28.7	Very low	30.8	Very low	48 Å²	48	108.6 Å²	108.6	50%	0.495	63%	0.629	S	S	.	*	S	Bend	trans	-74.3	108.1	160.5	0	0	0	0	0	111	Q44	Q44-G46 PolarHBondContact O-N 2.83Å
47	K	34.1	Very low	31.6	Very low	200 Å²	200	103.6 Å²	103.6	87%	0.87	59%	0.593	S	S	*	*	S	Bend	trans	122.1	1.5	148.8	-65.5	-175.9	175.5	-179.3	0	119.4	I45	I45-K47 PolarHBondContact O-N 2.81Å
48	K	31.2	Very low	32.2	Very low	193 Å²	193	101.6 Å²	101.6	84%	0.839	58%	0.578	S	S	*	*	S	Bend	trans	-131.7	88.4	167.4	-75.9	-173.4	178.4	178.4	0	111.5	A50	K48-A50 PolarHBondContact O-N 2.68Å
49	F	33.2	Very low	32.9	Very low	199 Å²	199	98.4 Å²	98.4	87%	0.873	55%	0.55	S	S	*	*			trans	39.2	73	155.1	-58.3	-86.1	0	0	0	114.7	A51	F49-A51 PolarHBondContact O-N 2.86Å
50	A	32.3	Very low	33.5	Very low	88 Å²	88	97 Å²	97	73%	0.727	54%	0.539	S	S	*	.			trans	-62.6	92.7	156.2	0	0	0	0	0	107	K48	K48-A50 PolarHBondContact O-N 2.68Å
51	A	30.4	Very low	33.7	Very low	72 Å²	72	100.9 Å²	100.9	60%	0.595	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-62.9	128.4	-179.3	0	0	0	0	0	108.4	F49 L53	F49-A51 PolarHBondContact O-N 2.86Å; A51-L53 PolarHBondContact O-N 2.84Å
52	P	29.6	Very low	34.2	Very low	86 Å²	86	104.7 Å²	104.7	56%	0.558	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.3	131.2	179.8	22.7	-31.1	0	0	0	110.8	K32	K32-P52 HydrophobicContact CD-CB 3.78Å; K32-P52 VanDerWaalsContact CE-CB 3.42Å; K32-P52 HydrophobicContact CG-CB 4.15Å
53	L	35	Very low	34.8	Very low	98 Å²	98	109 Å²	109	51%	0.513	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-86.3	123.6	-178.1	-58.7	175.1	0	0	0	109.2	M1 A51	M1-L53 HydrophobicContact CB-CD1 4.27Å; M1-L53 HydrophobicContact CB-CD2 3.93Å; M1-L53 HydrophobicContact CE-CD1 4.41Å; A51-L53 PolarHBondContact O-N 2.84Å
54	G	33.1	Very low	35.4	Very low	55 Å²	55	105.2 Å²	105.2	57%	0.567	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-81	124.2	177.9	0	0	0	0	0	111.7	A2	A2-G54 WeakPolarHBondContact CA-O 3.41Å; A2-G54 VanDerWaalsContact CB-O 3.32Å; A2-G54 WeakPolarHBondContact CB-O 3.49Å
55	C	39.6	Very low	36.1	Very low	25 Å²	25	98.4 Å²	98.4	17%	0.169	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-93.3	152.8	176.2	-60.5	0	0	0	0	111.6	I3	I3-C55 WeakPolarHBondContact O-CB 2.88Å
56	I	41.8	Very low	37.2	Very low	39 Å²	39	95.4 Å²	95.4	20%	0.2	52%	0.52	C	S	.	.			trans	-127.8	112.6	177.6	-70.1	175.8	0	0	0	107.7	A2 I3 L4 L27 L58 L81	A2-I56 HydrophobicContact CB-CD1 4.36Å; A2-I56 HydrophobicContact CB-CG1 4.35Å; I3-I56 PolarHBondContact O-N 3.24Å; I3-I56 VanDerWaalsContact O-N 3.1Å; L4-I56 WeakPolarHBondContact CA-O 3.34Å; L4-I56 HydrophobicContact CD1-CG2 4.03Å; L4-I56 WeakPolarHBondContact CD1-O 3.48Å; L4-I56 VanDerWaalsContact CG-O 3.31Å; L4-I56 WeakPolarHBondContact CG-O 3.48Å; L27-I56 HydrophobicContact CD2-CB 3.94Å; L27-I56 HydrophobicContact CD2-CD1 4.16Å; L27-I56 HydrophobicContact CD2-CG1 3.74Å; L27-I56 HydrophobicContact CD2-CG2 3.29Å; L27-I56 HydrophobicContact CG-CG2 4.04Å; I56-L58 HydrophobicContact CG2-CG 4.38Å; I56-L81 HydrophobicContact CD1-CD1 4.44Å
57	T	41.8	Very low	38.1	Very low	10 Å²	10	99.7 Å²	99.7	6%	0.061	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128	177	-51.3	0	0	0	0	109	V5 E28 M59	V5-T57 HydrophobicContact CB-CG2 4.31Å; V5-T57 WeakPolarHBondContact O-CG2 3.11Å; E28-T57 WeakPolarHBondContact O-CB 3.46Å; E28-T57 PolarHBondContact O-OG1 2.84Å; T57-M59 HydrophobicContact CG2-CG 4.08Å
58	L	39	Very low	38.7	Very low	22 Å²	22	92.6 Å²	92.6	12%	0.115	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.4	174.2	-69.2	173.5	0	0	0	109.2	L4 I56 A74	L4-L58 HydrophobicContact CD1-CB 4.45Å; L4-L58 HydrophobicContact CD1-CD1 3.75Å; L4-L58 HydrophobicContact CD1-CG 3.89Å; L4-L58 HydrophobicContact CD2-CB 4.36Å; L4-L58 HydrophobicContact CD2-CD1 4.33Å; I56-L58 HydrophobicContact CG2-CG 4.38Å; L58-A74 HydrophobicContact CD1-CB 3.89Å
59	M	39	Very low	39.5	Very low	53 Å²	53	87.2 Å²	87.2	26%	0.261	49%	0.485	S	S	.	.			trans	-108.9	137.8	-179.5	-68.2	-172.4	-78.3	0	0	111.4	E28 T57	E28-M59 HydrophobicContact CB-CE 4.32Å; E28-M59 WeakPolarHBondContact OE2-CE 3.42Å; T57-M59 HydrophobicContact CG2-CG 4.08Å
60	N	38.8	Very low	40.2	Very low	67 Å²	67	78.6 Å²	78.6	36%	0.358	45%	0.448	S	S	.	.			trans	-74.3	125.1	178	-173.7	-20.1	0	0	0	110.7	R62 I70	N60-R62 PolarHBondContact O-N 2.87Å; N60-I70 HydrophobicContact CB-CD1 4.07Å
61	R	37.5	Very low	41.1	Very low	178 Å²	178	78.1 Å²	78.1	67%	0.672	43%	0.433	S	S	*	.			trans	-76.5	116.8	163.8	-82.8	-173.9	174.7	-175.2	0.9	108.5	G24 T63 V64	G24-R61 PolarHBondContact O-NE 2.93Å; R61-T63 PolarHBondContact O-N 3.47Å; R61-V64 PolarHBondContact O-N 3.24Å
62	R	40.6	Very low	42.1	Very low	219 Å²	219	81.2 Å²	81.2	83%	0.826	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39	100.7	170.6	-74	-176.7	177.3	-172.3	-1.2	109.4	N60	N60-R62 PolarHBondContact O-N 2.87Å
63	T	41.1	Very low	43.2	Very low	139 Å²	139	78.8 Å²	78.8	85%	0.853	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.3	-13.3	161.7	50.8	0	0	0	0	116.3	R61	R61-T63 PolarHBondContact O-N 3.47Å
64	V	38.5	Very low	44.1	Very low	114 Å²	114	74.1 Å²	74.1	69%	0.691	40%	0.401	S	S	*	.	S	Bend	trans	-147.4	90.8	-173.3	-164.4	0	0	0	0	113	R61	R61-V64 PolarHBondContact O-N 3.24Å
65	S	45.5	Very low	44.9	Very low	39 Å²	39	74 Å²	74	27%	0.273	39%	0.388	S	S	.	.			trans	154.5	142.8	150.1	44.5	0	0	0	0	111.6
66	S	50.7	Low	45.5	Very low	59 Å²	59	79 Å²	79	41%	0.413	41%	0.408	S	S	.	.			trans	-74.3	158.3	171.8	73	0	0	0	0	110.8	A68 D69 I70	S66-A68 PolarHBondContact O-N 2.96Å; S66-A68 VanDerWaalsContact O-N 3.13Å; S66-D69 WeakPolarHBondContact CB-OD2 3.45Å; S66-D69 PolarHBondContact N-OD2 3.49Å; S66-D69 PolarHBondContact O-N 3.07Å; S66-D69 VanDerWaalsContact O-N 3.09Å; S66-D69 PolarHBondContact OG-N 3.38Å; S66-D69 PolarHBondContact OG-OD1 3.44Å; S66-D69 PolarHBondContact OG-OD2 2.9Å; S66-I70 PolarHBondContact O-N 3.19Å
67	K	46.6	Very low	45.9	Very low	138 Å²	138	79.1 Å²	79.1	60%	0.6	42%	0.415	S	S	*	.	H	α-helix	trans	-52	-35.2	174.1	-178.6	-179.7	177.7	-178.8	0	111.6	I70 L71	K67-I70 PolarHBondContact O-N 2.92Å; K67-L71 HydrophobicContact CG-CD1 4.25Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.27Å; K67-L71 VanDerWaalsContact O-N 3.14Å
68	A	47.8	Very low	46.2	Very low	52 Å²	52	79.2 Å²	79.2	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-49.3	178	0	0	0	0	0	111.6	S66 I70 L71 E72	S66-A68 PolarHBondContact O-N 2.96Å; S66-A68 VanDerWaalsContact O-N 3.13Å; A68-I70 PolarHBondContact O-N 3.03Å; A68-L71 PolarHBondContact O-N 3.46Å; A68-L71 VanDerWaalsContact O-N 3.09Å; A68-E72 PolarHBondContact O-N 3.17Å
69	D	47.5	Very low	46.8	Very low	79 Å²	79	87.3 Å²	87.3	42%	0.422	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-36.5	-179.9	-50.7	-37.9	0	0	0	111.8	S66 G73	S66-D69 WeakPolarHBondContact CB-OD2 3.45Å; S66-D69 PolarHBondContact N-OD2 3.49Å; S66-D69 PolarHBondContact O-N 3.07Å; S66-D69 VanDerWaalsContact O-N 3.09Å; S66-D69 PolarHBondContact OG-N 3.38Å; S66-D69 PolarHBondContact OG-OD1 3.44Å; S66-D69 PolarHBondContact OG-OD2 2.9Å; D69-G73 PolarHBondContact O-N 2.76Å
70	I	48.4	Very low	47.3	Very low	19 Å²	19	92 Å²	92	10%	0.097	47%	0.466	C	S	.	.	H	α-helix	trans	-66.9	-44.6	177.6	-62.2	171.7	0	0	0	110.8	N60 S66 K67 A68 G73 A74	N60-I70 HydrophobicContact CB-CD1 4.07Å; S66-I70 PolarHBondContact O-N 3.19Å; K67-I70 PolarHBondContact O-N 2.92Å; A68-I70 PolarHBondContact O-N 3.03Å; I70-G73 PolarHBondContact O-N 3.13Å; I70-A74 WeakPolarHBondContact O-CB 3.24Å; I70-A74 PolarHBondContact O-N 2.89Å
71	L	50.6	Low	47.6	Very low	78 Å²	78	92.3 Å²	92.3	41%	0.408	47%	0.468	S	S	.	.	H	α-helix	trans	-66.7	-41.2	178.9	-72.9	173.7	0	0	0	111.5	K67 A68 A74 D75	K67-L71 HydrophobicContact CG-CD1 4.25Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.27Å; K67-L71 VanDerWaalsContact O-N 3.14Å; A68-L71 PolarHBondContact O-N 3.46Å; A68-L71 VanDerWaalsContact O-N 3.09Å; L71-A74 PolarHBondContact O-N 2.94Å; L71-D75 WeakPolarHBondContact O-CB 3.23Å; L71-D75 PolarHBondContact O-N 2.97Å
72	E	52	Low	47.9	Very low	136 Å²	136	89.8 Å²	89.8	64%	0.636	47%	0.474	S	S	*	.	H	α-helix	trans	-61.9	-47.3	175.1	-74.4	-176.6	175.6	0	0	111.2	A68 A74 D75 E76	A68-E72 PolarHBondContact O-N 3.17Å; E72-A74 VanDerWaalsContact C-N 3.32Å; E72-A74 PolarHBondContact O-N 3.42Å; E72-D75 PolarHBondContact O-N 2.83Å; E72-D75 VanDerWaalsContact O-N 3.16Å; E72-E76 WeakPolarHBondContact O-CB 3.37Å; E72-E76 PolarHBondContact O-N 2.98Å
73	G	51.9	Low	47.9	Very low	35 Å²	35	85.9 Å²	85.9	36%	0.361	47%	0.47	S	S	.	.	H	α-helix	trans	-61.7	-38	176.1	0	0	0	0	0	113.2	D69 I70 A77	D69-G73 PolarHBondContact O-N 2.76Å; I70-G73 PolarHBondContact O-N 3.13Å; G73-A77 WeakPolarHBondContact O-CB 3.32Å; G73-A77 PolarHBondContact O-N 3.19Å
74	A	53.6	Low	47.8	Very low	1 Å²	1	80.1 Å²	80.1	1%	0.008	44%	0.438	C	S	.	.	H	α-helix	trans	-67	-37.2	175	0	0	0	0	0	112.4	L4 L58 I70 L71 E72 C78 I86	L4-A74 HydrophobicContact CD1-CB 4.27Å; L4-A74 HydrophobicContact CD2-CB 3.93Å; L58-A74 HydrophobicContact CD1-CB 3.89Å; I70-A74 WeakPolarHBondContact O-CB 3.24Å; I70-A74 PolarHBondContact O-N 2.89Å; L71-A74 PolarHBondContact O-N 2.94Å; E72-A74 VanDerWaalsContact C-N 3.32Å; E72-A74 PolarHBondContact O-N 3.42Å; A74-C78 WeakPolarHBondContact O-CB 3.34Å; A74-C78 PolarHBondContact O-N 3.04Å; A74-C78 PolarHBondContact O-SG 3.34Å; A74-I86 HydrophobicContact CB-CD1 4.24Å
75	D	51.9	Low	47.9	Very low	53 Å²	53	83.5 Å²	83.5	28%	0.283	44%	0.438	S	S	.	.	H	α-helix	trans	-71.7	-44.5	-178.6	-168.3	44.8	0	0	0	110.1	L71 E72 A77 C78 R79 I86	L71-D75 WeakPolarHBondContact O-CB 3.23Å; L71-D75 PolarHBondContact O-N 2.97Å; E72-D75 PolarHBondContact O-N 2.83Å; E72-D75 VanDerWaalsContact O-N 3.16Å; D75-A77 VanDerWaalsContact C-N 3.34Å; D75-A77 PolarHBondContact O-N 3.38Å; D75-C78 PolarHBondContact O-N 2.83Å; D75-R79 WeakPolarHBondContact O-CG 3.45Å; D75-R79 PolarHBondContact O-N 2.83Å; D75-R79 IonicContact OD1-NE 3.09Å; D75-R79 IonicContact OD2-CZ 3.42Å; D75-R79 IonicContact OD2-NE 2.65Å; D75-R79 PolarHBondContact OD2-NE 3.19Å; D75-R79 IonicContact OD2-NH2 3.88Å; D75-R79 PolarHBondContact OD2-NH2 3.37Å; D75-I86 HydrophobicContact CB-CD1 3.43Å; D75-I86 VanDerWaalsContact CB-CD1 3.43Å; D75-I86 HydrophobicContact CB-CG1 4.44Å
76	E	50.6	Low	47.7	Very low	129 Å²	129	84.5 Å²	84.5	60%	0.603	44%	0.439	S	S	*	.	H	α-helix	trans	-59.1	-45.4	175.1	-172.4	161.5	-163.7	0	0	111.5	E72 C78 R79 Q80	E72-E76 WeakPolarHBondContact O-CB 3.37Å; E72-E76 PolarHBondContact O-N 2.98Å; E76-C78 PolarHBondContact O-N 3.3Å; E76-R79 PolarHBondContact O-N 3.47Å; E76-Q80 PolarHBondContact O-N 3.19Å
77	A	50	Low	47	Very low	42 Å²	42	86.4 Å²	86.4	35%	0.347	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-41	174.9	0	0	0	0	0	112.6	G73 D75 Q80	G73-A77 WeakPolarHBondContact O-CB 3.32Å; G73-A77 PolarHBondContact O-N 3.19Å; D75-A77 VanDerWaalsContact C-N 3.34Å; D75-A77 PolarHBondContact O-N 3.38Å; A77-Q80 PolarHBondContact O-N 3.24Å
78	C	49	Very low	46.5	Very low	11 Å²	11	82.6 Å²	82.6	7%	0.074	44%	0.439	C	S	.	.	H	α-helix	trans	-63.5	-41.7	176.6	-75	0	0	0	0	112	A74 D75 E76 Q80 L81 G84 I86	A74-C78 WeakPolarHBondContact O-CB 3.34Å; A74-C78 PolarHBondContact O-N 3.04Å; A74-C78 PolarHBondContact O-SG 3.34Å; D75-C78 PolarHBondContact O-N 2.83Å; E76-C78 PolarHBondContact O-N 3.3Å; C78-Q80 PolarHBondContact O-N 3.33Å; C78-L81 WeakPolarHBondContact O-CB 3.41Å; C78-L81 PolarHBondContact O-N 3.18Å; C78-G84 WeakPolarHBondContact O-CA 3.38Å; C78-I86 HydrophobicContact CB-CG1 4.28Å
79	R	52.2	Low	45.8	Very low	192 Å²	192	86.2 Å²	86.2	73%	0.725	45%	0.451	S	S	*	.	H	α-helix	trans	-63.2	-25.8	-179.7	-72.3	175.2	-170.8	-165.8	4.3	113.5	D75 E76 L81	D75-R79 WeakPolarHBondContact O-CG 3.45Å; D75-R79 PolarHBondContact O-N 2.83Å; D75-R79 IonicContact OD1-NE 3.09Å; D75-R79 IonicContact OD2-CZ 3.42Å; D75-R79 IonicContact OD2-NE 2.65Å; D75-R79 PolarHBondContact OD2-NE 3.19Å; D75-R79 IonicContact OD2-NH2 3.88Å; D75-R79 PolarHBondContact OD2-NH2 3.37Å; E76-R79 PolarHBondContact O-N 3.47Å; R79-L81 PolarHBondContact O-N 2.89Å
80	Q	49.2	Very low	45	Very low	153 Å²	153	85.6 Å²	85.6	72%	0.715	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.1	176.2	-65.4	-177.7	20	0	0	113.2	E76 A77 C78	E76-Q80 PolarHBondContact O-N 3.19Å; A77-Q80 PolarHBondContact O-N 3.24Å; C78-Q80 PolarHBondContact O-N 3.33Å
81	L	45.1	Very low	44.2	Very low	73 Å²	73	88.2 Å²	88.2	38%	0.382	46%	0.464	S	S	.	.	S	Bend	trans	-94.6	140.7	178	-60.9	173.5	0	0	0	110.7	A2 I56 C78 R79 N83 G84	A2-L81 HydrophobicContact CB-CD1 4.3Å; I56-L81 HydrophobicContact CD1-CD1 4.44Å; C78-L81 WeakPolarHBondContact O-CB 3.41Å; C78-L81 PolarHBondContact O-N 3.18Å; R79-L81 PolarHBondContact O-N 2.89Å; L81-N83 PolarHBondContact O-N 2.63Å; L81-G84 PolarHBondContact O-N 2.99Å
82	P	43.5	Very low	43.1	Very low	125 Å²	125	87.1 Å²	87.1	81%	0.812	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-19.7	-177	-25.9	32.1	0	0	0	115.2
83	N	40	Very low	41.9	Very low	137 Å²	137	85.5 Å²	85.5	73%	0.733	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.2	28.4	177	-66.9	-62.8	0	0	0	111.4	L81 R85	L81-N83 PolarHBondContact O-N 2.63Å; N83-R85 PolarHBondContact O-N 2.04Å
84	G	39.9	Very low	40.7	Very low	17 Å²	17	86.8 Å²	86.8	18%	0.175	48%	0.483	C	S	.	.			trans	-72.5	129.7	179.3	0	0	0	0	0	110.5	C78 L81	C78-G84 WeakPolarHBondContact O-CA 3.38Å; L81-G84 PolarHBondContact O-N 2.99Å
85	R	40.5	Very low	39.6	Very low	186 Å²	186	92 Å²	92	70%	0.702	51%	0.51	S	S	*	.			trans	-139	134	174.9	-67	-172.9	-179.9	-170	0.3	107.3	N83 Y87	N83-R85 PolarHBondContact O-N 2.04Å; R85-Y87 PolarHBondContact O-N 2.85Å
86	I	40.3	Very low	38.6	Very low	59 Å²	59	95.5 Å²	95.5	30%	0.303	52%	0.523	S	S	.	.			trans	-67.2	117.6	164.3	-64.4	178.8	0	0	0	107.1	A74 D75 C78 G88	A74-I86 HydrophobicContact CB-CD1 4.24Å; D75-I86 HydrophobicContact CB-CD1 3.43Å; D75-I86 VanDerWaalsContact CB-CD1 3.43Å; D75-I86 HydrophobicContact CB-CG1 4.44Å; C78-I86 HydrophobicContact CB-CG1 4.28Å; I86-G88 PolarHBondContact O-N 3.29Å
87	Y	37.6	Very low	37.7	Very low	99 Å²	99	94.3 Å²	94.3	39%	0.388	53%	0.525	S	S	.	.			trans	-81.5	106.3	157	-72.1	-85.1	0	0	0	106.1	M1 R85	M1-Y87 HydrophobicContact CE-CE2 3.82Å; M1-Y87 HydrophobicContact CG-CE2 3.93Å; M1-Y87 HydrophobicContact SD-CE2 3.96Å; M1-Y87 PolarHBondContact SD-OH 2.85Å; R85-Y87 PolarHBondContact O-N 2.85Å
88	G	36.1	Very low	37.4	Very low	59 Å²	59	100.4 Å²	100.4	61%	0.608	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	150.7	-174.7	0	0	0	0	0	112.7	I86 V90	I86-G88 PolarHBondContact O-N 3.29Å; G88-V90 VanDerWaalsContact C-N 3.25Å; G88-V90 PolarHBondContact O-N 3.46Å
89	D	32.2	Very low	37.3	Very low	128 Å²	128	100.6 Å²	100.6	68%	0.684	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	24.9	58.4	171.5	-78.7	-11.6	0	0	0	114.5	D91	D89-D91 PolarHBondContact O-N 3.03Å
90	V	30.8	Very low	37.3	Very low	65 Å²	65	92 Å²	92	39%	0.394	52%	0.519	S	S	.	.			trans	-77	84.7	155.2	-145.8	0	0	0	0	104.8	G88 V92	G88-V90 VanDerWaalsContact C-N 3.25Å; G88-V90 PolarHBondContact O-N 3.46Å; V90-V92 HydrophobicContact CB-CG2 3.58Å; V90-V92 HydrophobicContact CG1-CG2 3.47Å; V90-V92 VanDerWaalsContact CG1-CG2 3.47Å; V90-V92 WeakPolarHBondContact O-CG2 3.35Å; V90-V92 PolarHBondContact O-N 3.2Å
91	D	31.6	Very low	37.4	Very low	74 Å²	74	87.9 Å²	87.9	40%	0.396	50%	0.496	S	S	.	.			trans	-64.5	75.9	161.2	-178.8	28.4	0	0	0	106.8	D89 A93 R101	D89-D91 PolarHBondContact O-N 3.03Å; D91-A93 PolarHBondContact O-N 3.28Å; D91-R101 IonicContact OD2-CZ 3.17Å; D91-R101 VanDerWaalsContact OD2-CZ 3.32Å; D91-R101 IonicContact OD2-NH1 2.95Å; D91-R101 PolarHBondContact OD2-NH1 2.86Å; D91-R101 IonicContact OD2-NH2 2.71Å; D91-R101 PolarHBondContact OD2-NH2 3.31Å
92	V	26.4	Very low	37.9	Very low	56 Å²	56	85.7 Å²	85.7	34%	0.339	49%	0.485	S	S	.	.			trans	-79.8	112.5	-176.8	-154.9	0	0	0	0	107	V5 V90	V5-V92 HydrophobicContact CB-CG2 4.16Å; V5-V92 HydrophobicContact CG1-CB 3.72Å; V5-V92 HydrophobicContact CG1-CG1 4.37Å; V5-V92 HydrophobicContact CG1-CG2 3.71Å; V5-V92 HydrophobicContact CG2-CG2 3.8Å; V90-V92 HydrophobicContact CB-CG2 3.58Å; V90-V92 HydrophobicContact CG1-CG2 3.47Å; V90-V92 VanDerWaalsContact CG1-CG2 3.47Å; V90-V92 WeakPolarHBondContact O-CG2 3.35Å; V90-V92 PolarHBondContact O-N 3.2Å
93	A	27.6	Very low	38.6	Very low	101 Å²	101	83.7 Å²	83.7	84%	0.835	47%	0.467	S	S	*	.	S	Bend	trans	71.5	79.3	161.4	0	0	0	0	0	115.8	D91	D91-A93 PolarHBondContact O-N 3.28Å
94	G	25.9	Very low	39.9	Very low	62 Å²	62	80 Å²	80	64%	0.639	45%	0.446	S	S	*	.	S	Bend	trans	-161.3	-38	154.7	0	0	0	0	0	116.8
95	L	31.2	Very low	41.5	Very low	110 Å²	110	79.1 Å²	79.1	58%	0.576	44%	0.438	S	S	*	.			trans	-130.9	37.6	-154.5	-65.8	167	0	0	0	115.3	V97	L95-V97 PolarHBondContact O-N 3.44Å
96	K	30.3	Very low	43.5	Very low	127 Å²	127	70.5 Å²	70.5	55%	0.552	41%	0.406	S	S	*	.			trans	-73.8	75	148.3	-92	-165.5	177	178	0	107.5	E98 E178	K96-E98 PolarHBondContact O-N 2.9Å; K96-E178 WeakPolarHBondContact CE-OE1 3.36Å; K96-E178 WeakPolarHBondContact CE-OE2 3.05Å; K96-E178 IonicContact NZ-OE1 2.87Å; K96-E178 PolarHBondContact NZ-OE1 3.24Å; K96-E178 IonicContact NZ-OE2 2.81Å
97	V	33	Very low	45.7	Very low	105 Å²	105	68.7 Å²	68.7	64%	0.636	40%	0.396	S	S	*	.	S	Bend	trans	-89.1	92.8	155.4	-175.6	0	0	0	0	104	L95	L95-V97 PolarHBondContact O-N 3.44Å
98	E	42.9	Very low	48.2	Very low	170 Å²	170	64 Å²	64	79%	0.794	38%	0.377	S	S	*	.	S	Bend	trans	49.4	74	172	-57.3	-173.7	167.3	0	0	114.5	K96 G221	K96-E98 PolarHBondContact O-N 2.9Å; E98-G221 WeakPolarHBondContact O-CA 3.38Å
99	G	47.4	Very low	50.8	Low	14 Å²	14	63.5 Å²	63.5	14%	0.144	36%	0.362	C	S	.	.			trans	161.4	163.2	159.6	0	0	0	0	0	119.2	G221	G99-G221 CarbonylContact C-O 3.22Å; G99-G221 VanDerWaalsContact CA-CA 3.45Å; G99-G221 WeakPolarHBondContact CA-O 3.32Å
100	S	51.4	Low	53.6	Low	12 Å²	12	62.4 Å²	62.4	8%	0.084	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142	173.6	-40.9	0	0	0	0	111.2	E179 G221 F222 T223	S100-E179 VanDerWaalsContact OG-CD 3.23Å; S100-E179 PolarHBondContact OG-OE1 3.45Å; S100-G221 PolarHBondContact N-O 3.44Å; S100-F222 WeakPolarHBondContact O-CA 3.49Å; S100-F222 VanDerWaalsContact O-CD1 3.29Å; S100-F222 WeakPolarHBondContact O-CD1 3.31Å; S100-T223 PolarHBondContact O-N 2.85Å
101	R	52.2	Low	56.5	Low	66 Å²	66	60.3 Å²	60.3	25%	0.249	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.2	-177.1	-65.5	175.9	174.8	-174.7	-4.1	113.6	D91 L103 V177 E178 T223	D91-R101 IonicContact OD2-CZ 3.17Å; D91-R101 VanDerWaalsContact OD2-CZ 3.32Å; D91-R101 IonicContact OD2-NH1 2.95Å; D91-R101 PolarHBondContact OD2-NH1 2.86Å; D91-R101 IonicContact OD2-NH2 2.71Å; D91-R101 PolarHBondContact OD2-NH2 3.31Å; R101-L103 HydrophobicContact CB-CD2 3.77Å; R101-L103 HydrophobicContact CB-CG 4.49Å; R101-V177 CarbonylContact O-C 3.57Å; R101-V177 WeakPolarHBondContact O-CA 3.42Å; R101-V177 WeakPolarHBondContact O-CB 2.94Å; R101-E178 PolarHBondContact N-OE2 3.05Å; R101-E178 PolarHBondContact O-N 2.93Å; R101-T223 VanDerWaalsContact CA-O 3.31Å; R101-T223 WeakPolarHBondContact CA-O 3.12Å
102	I	56	Low	59.3	Low	28 Å²	28	60.9 Å²	60.9	14%	0.144	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.1	163.2	-57	-178.1	0	0	0	107.6	I175 V177 L196 A201 L202 F222	I102-I175 HydrophobicContact CG2-CG2 4.3Å; I102-V177 HydrophobicContact CB-CG1 4.42Å; I102-V177 HydrophobicContact CG1-CG1 3.94Å; I102-L196 HydrophobicContact CG2-CD2 3.73Å; I102-A201 HydrophobicContact CD1-CB 4.21Å; I102-A201 HydrophobicContact CG1-CB 4.38Å; I102-L202 HydrophobicContact CD1-CD1 4.47Å; I102-L202 HydrophobicContact CD1-CD2 3.69Å; I102-L202 HydrophobicContact CD1-CG 4.04Å; I102-F222 HydrophobicContact CG1-CD1 4.43Å
103	L	57.6	Low	62.2	Low	83 Å²	83	61.6 Å²	61.6	44%	0.435	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-53.2	-164.5	-62.3	177.4	0	0	0	113	R101 R176 E178	R101-L103 HydrophobicContact CB-CD2 3.77Å; R101-L103 HydrophobicContact CB-CG 4.49Å; L103-R176 PolarHBondContact N-O 3.19Å; L103-E178 HydrophobicContact CD1-CB 4.4Å
104	I	66.5	Low	64.9	Low	58 Å²	58	62.5 Å²	62.5	30%	0.297	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	138.4	-166.8	-56.8	177	0	0	0	109.4	I106 V128 R176	I104-I106 HydrophobicContact CG2-CG1 3.96Å; I104-V128 HydrophobicContact CG2-CG1 3.69Å; I104-R176 HydrophobicContact CB-CB 4.37Å; I104-R176 PolarHBondContact N-O 2.91Å; I104-R176 PolarHBondContact O-N 3.37Å
105	G	74	Confident	67.2	Low	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.6	165.6	0	0	0	0	0	111.1	Y129 I174	G105-Y129 PolarHBondContact O-N 3.48Å; G105-I174 CarbonylContact C-O 3.57Å; G105-I174 WeakPolarHBondContact CA-O 3.46Å
106	I	82.8	Confident	68.8	Low	5 Å²	5	61.6 Å²	61.6	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.1	176.8	-52.8	173	0	0	0	107.9	I104 I108 A126 V127 C173 I174	I104-I106 HydrophobicContact CG2-CG1 3.96Å; I106-I108 HydrophobicContact CG2-CG1 4.37Å; I106-A126 HydrophobicContact CG2-CB 3.72Å; I106-V127 WeakPolarHBondContact CA-O 3.43Å; I106-C173 CarbonylContact O-C 3.52Å; I106-C173 WeakPolarHBondContact O-CA 3.42Å; I106-I174 HydrophobicContact CB-CB 4.23Å; I106-I174 PolarHBondContact N-O 3.34Å; I106-I174 PolarHBondContact O-N 2.84Å
107	K	86.4	Confident	70.4	Confident	20 Å²	20	62.5 Å²	62.5	9%	0.087	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	104.9	173.6	-178.3	169.6	64	178.4	0	109.1	V109 A126 V127 Y129 L188 N190	K107-V109 HydrophobicContact CD-CG1 4.49Å; K107-V109 HydrophobicContact CG-CG1 4.09Å; K107-V109 PolarHBondContact O-N 3.1Å; K107-A126 CarbonylContact O-C 3.33Å; K107-A126 WeakPolarHBondContact O-CA 3.42Å; K107-A126 WeakPolarHBondContact O-CB 3.34Å; K107-V127 PolarHBondContact N-O 2.99Å; K107-V127 PolarHBondContact O-N 2.79Å; K107-Y129 HydrophobicContact CB-CE2 3.94Å; K107-Y129 WeakPolarHBondContact CE-OH 3.47Å; K107-Y129 PolarHBondContact NZ-OH 2.87Å; K107-L188 PolarHBondContact NZ-O 3.03Å; K107-N190 PolarHBondContact NZ-O 2.83Å
108	I	89.8	Confident	72.1	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.5	172.8	-59.2	174.7	0	0	0	107.5	I106 L111 A126 F137 L164 T170 P171 V172 I174	I106-I108 HydrophobicContact CG2-CG1 4.37Å; I108-L111 HydrophobicContact CG2-CD1 4.12Å; I108-L111 HydrophobicContact CG2-CD2 3.8Å; I108-L111 HydrophobicContact CG2-CG 3.64Å; I108-A126 HydrophobicContact CG1-CB 4.11Å; I108-F137 HydrophobicContact CD1-CE1 4.46Å; I108-F137 HydrophobicContact CD1-CZ 3.82Å; I108-F137 HydrophobicContact CG1-CE1 4.15Å; I108-F137 HydrophobicContact CG1-CZ 3.97Å; I108-F137 HydrophobicContact CG2-CE1 4.25Å; I108-F137 HydrophobicContact CG2-CZ 3.88Å; I108-L164 HydrophobicContact CD1-CD1 4.08Å; I108-T170 HydrophobicContact CG2-CG2 4.03Å; I108-P171 WeakPolarHBondContact O-CA 3.19Å; I108-P171 WeakPolarHBondContact O-CB 3.39Å; I108-V172 HydrophobicContact CB-CG1 3.69Å; I108-V172 HydrophobicContact CD1-CG1 3.87Å; I108-V172 HydrophobicContact CG1-CG1 4.18Å; I108-V172 HydrophobicContact CG2-CG1 4.28Å; I108-V172 PolarHBondContact N-O 2.86Å; I108-V172 PolarHBondContact O-N 2.8Å; I108-I174 HydrophobicContact CD1-CD1 3.71Å; I108-I174 HydrophobicContact CG1-CD1 4.47Å
109	V	90.5	Very high	73.7	Confident	49 Å²	49	54.4 Å²	54.4	30%	0.297	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-21.2	-175.8	-65.9	0	0	0	0	112.7	K107 A125 L188	K107-V109 HydrophobicContact CD-CG1 4.49Å; K107-V109 HydrophobicContact CG-CG1 4.09Å; K107-V109 PolarHBondContact O-N 3.1Å; V109-A125 HydrophobicContact CG2-CB 4.1Å; V109-A125 WeakPolarHBondContact CG2-O 3.37Å; V109-A125 PolarHBondContact N-O 3.1Å; V109-L188 HydrophobicContact CB-CD2 4.38Å; V109-L188 HydrophobicContact CG1-CD2 4.42Å
110	K	91.5	Very high	75.6	Confident	106 Å²	106	56 Å²	56	46%	0.461	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.1	-177.8	-168.5	179.1	-177.9	-165.6	0	110.9	E112 G124 A125	K110-E112 WeakPolarHBondContact CE-OE1 3.44Å; K110-E112 IonicContact NZ-OE1 2.63Å; K110-E112 PolarHBondContact NZ-OE1 3.03Å; K110-G124 WeakPolarHBondContact O-CA 3.38Å; K110-A125 HydrophobicContact CB-CB 4.39Å; K110-A125 PolarHBondContact N-O 3.31Å; K110-A125 PolarHBondContact O-N 3.03Å
111	L	91.2	Very high	77.5	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.11	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133	171	-72.4	171.3	0	0	0	108.8	I108 L122 T123 F137 L164 T170	I108-L111 HydrophobicContact CG2-CD1 4.12Å; I108-L111 HydrophobicContact CG2-CD2 3.8Å; I108-L111 HydrophobicContact CG2-CG 3.64Å; L111-L122 HydrophobicContact CB-CD1 4.25Å; L111-L122 HydrophobicContact CD1-CD2 4.38Å; L111-L122 HydrophobicContact CD2-CD1 4.46Å; L111-L122 HydrophobicContact CD2-CD2 3.9Å; L111-L122 HydrophobicContact CD2-CG 3.95Å; L111-T123 WeakPolarHBondContact CA-O 3.08Å; L111-F137 HydrophobicContact CD2-CE2 4Å; L111-F137 HydrophobicContact CD2-CZ 3.77Å; L111-L164 HydrophobicContact CD1-CB 4.42Å; L111-L164 HydrophobicContact CD1-CD1 4.47Å; L111-L164 HydrophobicContact CD1-CD2 3.91Å; L111-L164 HydrophobicContact CD1-CG 4.5Å; L111-T170 HydrophobicContact CB-CG2 3.71Å; L111-T170 HydrophobicContact CD1-CG2 3.66Å; L111-T170 HydrophobicContact CG-CG2 3.49Å; L111-T170 VanDerWaalsContact CG-CG2 3.49Å
112	E	90	Very high	79.3	Confident	85 Å²	85	54.7 Å²	54.7	40%	0.397	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.1	175	-67.9	-177.3	166.9	0	0	108.8	K110 T123	K110-E112 WeakPolarHBondContact CE-OE1 3.44Å; K110-E112 IonicContact NZ-OE1 2.63Å; K110-E112 PolarHBondContact NZ-OE1 3.03Å; E112-T123 PolarHBondContact N-O 2.92Å; E112-T123 PolarHBondContact O-N 3.39Å
113	S	88.2	Confident	81	Confident	72 Å²	72	55.4 Å²	55.4	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.4	172.2	-173.8	0	0	0	0	109.5	I121	S113-I121 CarbonylContact C-O 3.58Å; S113-I121 WeakPolarHBondContact CA-O 3.39Å
114	K	83.5	Confident	82.6	Confident	119 Å²	119	51.8 Å²	51.8	52%	0.517	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	106.2	170.5	-67.6	-179.6	-177.4	174.8	0	107.6	S116 I121	K114-S116 PolarHBondContact O-N 3.42Å; K114-I121 HydrophobicContact CB-CB 4.44Å; K114-I121 PolarHBondContact N-O 2.65Å; K114-I121 PolarHBondContact O-N 3.42Å
115	S	74.5	Confident	83.8	Confident	97 Å²	97	50.5 Å²	50.5	68%	0.678	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.1	168.4	54.3	0	0	0	0	109.1
116	S	65	Low	84.5	Confident	57 Å²	57	50.7 Å²	50.7	40%	0.399	29%	0.292	S	S	.	.			trans	-103.5	174.9	162.5	77.9	0	0	0	0	109.7	K114 T118 N119	K114-S116 PolarHBondContact O-N 3.42Å; S116-T118 PolarHBondContact O-N 2.97Å; S116-N119 WeakPolarHBondContact CA-O 3.19Å; S116-N119 WeakPolarHBondContact CB-O 3.48Å; S116-N119 PolarHBondContact N-O 2.98Å; S116-N119 WeakPolarHBondContact OG-CA 3.3Å; S116-N119 PolarHBondContact OG-N 3.2Å; S116-N119 PolarHBondContact OG-O 3.29Å
117	T	64.6	Low	84.6	Confident	145 Å²	145	51.4 Å²	51.4	89%	0.89	30%	0.296	S	S	*	.	S	Bend	trans	-61.5	-24.3	179.6	35.1	0	0	0	0	114.7
118	T	68.6	Low	84.2	Confident	73 Å²	73	51.1 Å²	51.1	45%	0.448	30%	0.296	S	S	.	.	S	Bend	trans	-126.8	-22.4	-177	55.5	0	0	0	0	113.8	S116	S116-T118 PolarHBondContact O-N 2.97Å
119	N	76.5	Confident	83	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.171	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.3	-172.7	-60.9	-21.2	0	0	0	110.3	S116 E140 R141	S116-N119 WeakPolarHBondContact CA-O 3.19Å; S116-N119 WeakPolarHBondContact CB-O 3.48Å; S116-N119 PolarHBondContact N-O 2.98Å; S116-N119 WeakPolarHBondContact OG-CA 3.3Å; S116-N119 PolarHBondContact OG-N 3.2Å; S116-N119 PolarHBondContact OG-O 3.29Å; N119-E140 HydrophobicContact CB-CG 4.07Å; N119-E140 PolarHBondContact ND2-OE1 2.97Å; N119-R141 WeakPolarHBondContact CA-O 3.45Å
120	N	86.4	Confident	81.4	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.262	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.8	166.9	-71	-54.9	0	0	0	108.2	R141 F165	N120-R141 HydrophobicContact CB-CB 4.37Å; N120-R141 PolarHBondContact N-O 3.28Å; N120-R141 PolarHBondContact ND2-NH2 2.78Å; N120-R141 PolarHBondContact O-N 3.36Å; N120-F165 HydrophobicContact CB-CD1 4.38Å; N120-F165 HydrophobicContact CB-CE1 4.12Å; N120-F165 VanDerWaalsContact O-CE1 3.23Å; N120-F165 WeakPolarHBondContact O-CE1 3.25Å
121	I	91.2	Very high	80.1	Confident	48 Å²	48	53.7 Å²	53.7	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.5	-179.8	-59.7	175.3	0	0	0	108.1	S113 K114 S138 F139 E140	S113-I121 CarbonylContact C-O 3.58Å; S113-I121 WeakPolarHBondContact CA-O 3.39Å; K114-I121 HydrophobicContact CB-CB 4.44Å; K114-I121 PolarHBondContact N-O 2.65Å; K114-I121 PolarHBondContact O-N 3.42Å; I121-S138 VanDerWaalsContact CG2-OG 3.24Å; I121-S138 WeakPolarHBondContact CG2-OG 3.37Å; I121-F139 CarbonylContact C-O 3.58Å; I121-F139 WeakPolarHBondContact CA-O 3.39Å; I121-E140 HydrophobicContact CG1-CG 4.42Å
122	L	91.1	Very high	79	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	107.9	171.1	-169.4	71.7	0	0	0	108.3	L111 S138 F139 L164 F165 P168	L111-L122 HydrophobicContact CB-CD1 4.25Å; L111-L122 HydrophobicContact CD1-CD2 4.38Å; L111-L122 HydrophobicContact CD2-CD1 4.46Å; L111-L122 HydrophobicContact CD2-CD2 3.9Å; L111-L122 HydrophobicContact CD2-CG 3.95Å; L122-S138 CarbonylContact O-C 3.6Å; L122-S138 WeakPolarHBondContact O-CA 2.93Å; L122-F139 HydrophobicContact CB-CB 4.4Å; L122-F139 HydrophobicContact CD2-CD2 4.28Å; L122-F139 PolarHBondContact N-O 3.24Å; L122-F139 PolarHBondContact O-N 2.87Å; L122-L164 HydrophobicContact CD2-CB 3.66Å; L122-F165 HydrophobicContact CB-CD1 4.03Å; L122-F165 HydrophobicContact CB-CE1 3.53Å; L122-F165 HydrophobicContact CB-CE2 4.38Å; L122-F165 HydrophobicContact CB-CZ 3.72Å; L122-P168 HydrophobicContact CD1-CB 4.33Å
123	T	91.9	Very high	78.4	Confident	43 Å²	43	61.4 Å²	61.4	26%	0.264	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.9	177.4	-27.2	0	0	0	0	109.3	L111 E112 F137	L111-T123 WeakPolarHBondContact CA-O 3.08Å; E112-T123 PolarHBondContact N-O 2.92Å; E112-T123 PolarHBondContact O-N 3.39Å; T123-F137 WeakPolarHBondContact CG2-O 3.46Å
124	G	90.7	Very high	78.2	Confident	8 Å²	8	65.8 Å²	65.8	8%	0.082	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.4	-177.8	0	0	0	0	0	114.5	K110 T136 F137	K110-G124 WeakPolarHBondContact O-CA 3.38Å; G124-T136 WeakPolarHBondContact O-CA 3.16Å; G124-F137 PolarHBondContact N-O 3.17Å; G124-F137 PolarHBondContact O-N 3.14Å
125	A	91	Very high	78.3	Confident	31 Å²	31	61 Å²	61	26%	0.256	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.4	169.8	0	0	0	0	0	109.1	V109 K110 I135	V109-A125 HydrophobicContact CG2-CB 4.1Å; V109-A125 WeakPolarHBondContact CG2-O 3.37Å; V109-A125 PolarHBondContact N-O 3.1Å; K110-A125 HydrophobicContact CB-CB 4.39Å; K110-A125 PolarHBondContact N-O 3.31Å; K110-A125 PolarHBondContact O-N 3.03Å; A125-I135 WeakPolarHBondContact CA-O 3.47Å
126	A	89.8	Confident	78.9	Confident	3 Å²	3	61.4 Å²	61.4	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.8	179.3	0	0	0	0	0	112.3	I106 K107 I108 E134 I135 F137	I106-A126 HydrophobicContact CG2-CB 3.72Å; K107-A126 CarbonylContact O-C 3.33Å; K107-A126 WeakPolarHBondContact O-CA 3.42Å; K107-A126 WeakPolarHBondContact O-CB 3.34Å; I108-A126 HydrophobicContact CG1-CB 4.11Å; A126-E134 CarbonylContact O-C 3.56Å; A126-E134 WeakPolarHBondContact O-CA 3.49Å; A126-I135 HydrophobicContact CB-CD1 4.47Å; A126-I135 HydrophobicContact CB-CG1 4.02Å; A126-I135 PolarHBondContact N-O 3.26Å; A126-I135 PolarHBondContact O-N 3.44Å; A126-F137 HydrophobicContact CB-CD1 4.24Å; A126-F137 HydrophobicContact CB-CE1 3.81Å
127	V	83.4	Confident	79.9	Confident	21 Å²	21	58.9 Å²	58.9	13%	0.127	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122	167.6	-175.5	0	0	0	0	107.6	I106 K107 Y129 M132 E134	I106-V127 WeakPolarHBondContact CA-O 3.43Å; K107-V127 PolarHBondContact N-O 2.99Å; K107-V127 PolarHBondContact O-N 2.79Å; V127-Y129 HydrophobicContact CB-CE2 4.29Å; V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE1 4.44Å; V127-Y129 HydrophobicContact CG1-CE2 4.04Å; V127-M132 HydrophobicContact CG1-CB 4.23Å; V127-E134 HydrophobicContact CG2-CG 4.36Å
128	V	78	Confident	81	Confident	13 Å²	13	53 Å²	53	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.1	173.5	-174.3	0	0	0	0	108.5	I104 M132 R133 I135	I104-V128 HydrophobicContact CG2-CG1 3.69Å; V128-M132 CarbonylContact O-C 3.25Å; V128-M132 WeakPolarHBondContact O-CA 3.4Å; V128-M132 PolarHBondContact O-N 2.85Å; V128-R133 PolarHBondContact N-O 2.77Å; V128-R133 PolarHBondContact O-N 3.45Å; V128-I135 HydrophobicContact CG2-CD1 3.43Å; V128-I135 VanDerWaalsContact CG2-CD1 3.43Å; V128-I135 HydrophobicContact CG2-CG1 3.93Å; V128-I135 HydrophobicContact CG2-CG2 4.4Å
129	Y	65.1	Low	82.1	Confident	22 Å²	22	49.5 Å²	49.5	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	153.4	177.2	-69.1	-83.9	0	0	0	110.1	G105 K107 V127 M132 Y192 M195	G105-Y129 PolarHBondContact O-N 3.48Å; K107-Y129 HydrophobicContact CB-CE2 3.94Å; K107-Y129 WeakPolarHBondContact CE-OH 3.47Å; K107-Y129 PolarHBondContact NZ-OH 2.87Å; V127-Y129 HydrophobicContact CB-CE2 4.29Å; V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE1 4.44Å; V127-Y129 HydrophobicContact CG1-CE2 4.04Å; Y129-M132 HydrophobicContact CD1-CG 3.82Å; Y129-M132 HydrophobicContact CE1-CG 3.72Å; Y129-M132 HydrophobicContact CE1-SD 4.34Å; Y129-Y192 AromaticContact CD1-CD2 3.79Å; Y129-Y192 HydrophobicContact CD1-CD2 3.79Å; Y129-Y192 AromaticContact CD1-CG 3.69Å; Y129-Y192 HydrophobicContact CD1-CG 3.69Å; Y129-Y192 AromaticContact CD2-CD2 3.97Å; Y129-Y192 HydrophobicContact CD2-CD2 3.97Å; Y129-Y192 HydrophobicContact CE1-CG 4.41Å; Y129-Y192 AromaticContact CG-CD2 3.39Å; Y129-Y192 HydrophobicContact CG-CD2 3.39Å; Y129-Y192 HydrophobicContact CG-CE2 4.02Å; Y129-Y192 AromaticContact CG-CG 3.81Å; Y129-Y192 HydrophobicContact CG-CG 3.81Å; Y129-M195 HydrophobicContact CD2-CE 3.64Å; Y129-M195 HydrophobicContact CE2-CE 4.14Å; Y129-M195 HydrophobicContact CG-CE 4.32Å
130	P	58.2	Low	82.8	Confident	92 Å²	92	50.2 Å²	50.2	60%	0.597	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.1	-11.4	10.6	33	-36.5	0	0	0	115.8	M132 Y192	P130-M132 PolarHBondContact O-N 3.21Å; P130-Y192 HydrophobicContact CB-CD1 4.46Å; P130-Y192 HydrophobicContact CB-CE1 3.9Å
131	D	62.7	Low	83	Confident	96 Å²	96	50.8 Å²	50.8	51%	0.513	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6	-173.9	64.6	-17.7	0	0	0	114.7	R133	D131-R133 PolarHBondContact O-N 3.21Å; D131-R133 PolarHBondContact OD1-N 2.98Å; D131-R133 WeakPolarHBondContact OD2-CB 3.35Å; D131-R133 IonicContact OD2-NE 2.9Å
132	M	69	Low	82.8	Confident	127 Å²	127	51.9 Å²	51.9	63%	0.626	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	29.4	-177.3	-59	-171.6	-67.6	0	0	113	V127 V128 Y129 P130 E134	V127-M132 HydrophobicContact CG1-CB 4.23Å; V128-M132 CarbonylContact O-C 3.25Å; V128-M132 WeakPolarHBondContact O-CA 3.4Å; V128-M132 PolarHBondContact O-N 2.85Å; Y129-M132 HydrophobicContact CD1-CG 3.82Å; Y129-M132 HydrophobicContact CE1-CG 3.72Å; Y129-M132 HydrophobicContact CE1-SD 4.34Å; P130-M132 PolarHBondContact O-N 3.21Å; M132-E134 PolarHBondContact O-N 2.94Å
133	R	77.7	Confident	82.5	Confident	141 Å²	141	58.1 Å²	58.1	53%	0.532	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.4	-178.9	-177.2	177.1	61.3	166	-1.9	110.5	V128 D131 I135	V128-R133 PolarHBondContact N-O 2.77Å; V128-R133 PolarHBondContact O-N 3.45Å; D131-R133 PolarHBondContact O-N 3.21Å; D131-R133 PolarHBondContact OD1-N 2.98Å; D131-R133 WeakPolarHBondContact OD2-CB 3.35Å; D131-R133 IonicContact OD2-NE 2.9Å; R133-I135 HydrophobicContact CG-CG2 4.16Å
134	E	83.3	Confident	82.2	Confident	164 Å²	164	60.4 Å²	60.4	77%	0.766	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	134.5	171.2	-61.8	-171.3	171.3	0	0	110.8	A126 V127 M132	A126-E134 CarbonylContact O-C 3.56Å; A126-E134 WeakPolarHBondContact O-CA 3.49Å; V127-E134 HydrophobicContact CG2-CG 4.36Å; M132-E134 PolarHBondContact O-N 2.94Å
135	I	84.9	Confident	81.8	Confident	19 Å²	19	61.4 Å²	61.4	10%	0.097	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.3	178.5	60.7	171.9	0	0	0	110.8	A125 A126 V128 R133 V152 L154	A125-I135 WeakPolarHBondContact CA-O 3.47Å; A126-I135 HydrophobicContact CB-CD1 4.47Å; A126-I135 HydrophobicContact CB-CG1 4.02Å; A126-I135 PolarHBondContact N-O 3.26Å; A126-I135 PolarHBondContact O-N 3.44Å; V128-I135 HydrophobicContact CG2-CD1 3.43Å; V128-I135 VanDerWaalsContact CG2-CD1 3.43Å; V128-I135 HydrophobicContact CG2-CG1 3.93Å; V128-I135 HydrophobicContact CG2-CG2 4.4Å; R133-I135 HydrophobicContact CG-CG2 4.16Å; I135-V152 HydrophobicContact CD1-CG1 4.06Å; I135-L154 HydrophobicContact CD1-CD2 3.26Å
136	T	87.7	Confident	81.6	Confident	105 Å²	105	63.4 Å²	63.4	64%	0.644	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.1	165.4	55.2	0	0	0	0	109.2	G124 V152	G124-T136 WeakPolarHBondContact O-CA 3.16Å; T136-V152 WeakPolarHBondContact O-CG2 3.21Å
137	F	85.7	Confident	81.4	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.3	-179.8	64.8	-87.4	0	0	0	110.3	I108 L111 T123 G124 A126 F139 L154	I108-F137 HydrophobicContact CD1-CE1 4.46Å; I108-F137 HydrophobicContact CD1-CZ 3.82Å; I108-F137 HydrophobicContact CG1-CE1 4.15Å; I108-F137 HydrophobicContact CG1-CZ 3.97Å; I108-F137 HydrophobicContact CG2-CE1 4.25Å; I108-F137 HydrophobicContact CG2-CZ 3.88Å; L111-F137 HydrophobicContact CD2-CE2 4Å; L111-F137 HydrophobicContact CD2-CZ 3.77Å; T123-F137 WeakPolarHBondContact CG2-O 3.46Å; G124-F137 PolarHBondContact N-O 3.17Å; G124-F137 PolarHBondContact O-N 3.14Å; A126-F137 HydrophobicContact CB-CD1 4.24Å; A126-F137 HydrophobicContact CB-CE1 3.81Å; F137-F139 HydrophobicContact CD2-CD2 4.08Å; F137-F139 AromaticContact CD2-CE2 3.6Å; F137-F139 HydrophobicContact CD2-CE2 3.6Å; F137-F139 AromaticContact CD2-CZ 3.84Å; F137-F139 HydrophobicContact CD2-CZ 3.84Å; F137-F139 AromaticContact CE2-CD2 3.91Å; F137-F139 HydrophobicContact CE2-CD2 3.91Å; F137-F139 AromaticContact CE2-CE2 3.33Å; F137-F139 HydrophobicContact CE2-CE2 3.33Å; F137-F139 AromaticContact CE2-CZ 3.94Å; F137-F139 HydrophobicContact CE2-CZ 3.94Å; F137-F139 HydrophobicContact CZ-CE2 4.45Å; F137-L154 HydrophobicContact CB-CD1 4.18Å; F137-L154 HydrophobicContact CB-CD2 4.38Å; F137-L154 HydrophobicContact CB-CG 4.2Å; F137-L154 HydrophobicContact CD1-CD1 3.72Å; F137-L154 HydrophobicContact CD2-CD1 3.76Å; F137-L154 HydrophobicContact CE1-CD1 4Å; F137-L154 HydrophobicContact CE2-CD1 4.06Å; F137-L154 HydrophobicContact CG-CD1 3.59Å; F137-L154 HydrophobicContact CG-CG 4.16Å; F137-L154 HydrophobicContact CZ-CD1 4.15Å
138	S	88.7	Confident	81.6	Confident	20 Å²	20	66 Å²	66	14%	0.14	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.2	175.7	-167.3	0	0	0	0	110.5	I121 L122 V150	I121-S138 VanDerWaalsContact CG2-OG 3.24Å; I121-S138 WeakPolarHBondContact CG2-OG 3.37Å; L122-S138 CarbonylContact O-C 3.6Å; L122-S138 WeakPolarHBondContact O-CA 2.93Å; S138-V150 PolarHBondContact O-N 3.21Å
139	F	91.1	Very high	81.7	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.7	166.2	-55.8	-62.6	0	0	0	109.5	I121 L122 F137 I147 N148 E149 L154 I156 V161 L164 F165	I121-F139 CarbonylContact C-O 3.58Å; I121-F139 WeakPolarHBondContact CA-O 3.39Å; L122-F139 HydrophobicContact CB-CB 4.4Å; L122-F139 HydrophobicContact CD2-CD2 4.28Å; L122-F139 PolarHBondContact N-O 3.24Å; L122-F139 PolarHBondContact O-N 2.87Å; F137-F139 HydrophobicContact CD2-CD2 4.08Å; F137-F139 AromaticContact CD2-CE2 3.6Å; F137-F139 HydrophobicContact CD2-CE2 3.6Å; F137-F139 AromaticContact CD2-CZ 3.84Å; F137-F139 HydrophobicContact CD2-CZ 3.84Å; F137-F139 AromaticContact CE2-CD2 3.91Å; F137-F139 HydrophobicContact CE2-CD2 3.91Å; F137-F139 AromaticContact CE2-CE2 3.33Å; F137-F139 HydrophobicContact CE2-CE2 3.33Å; F137-F139 AromaticContact CE2-CZ 3.94Å; F137-F139 HydrophobicContact CE2-CZ 3.94Å; F137-F139 HydrophobicContact CZ-CE2 4.45Å; F139-I147 HydrophobicContact CB-CG2 4.35Å; F139-N148 CarbonylContact C-O 3.54Å; F139-N148 VanDerWaalsContact CA-O 3.3Å; F139-N148 WeakPolarHBondContact CA-O 3.08Å; F139-E149 HydrophobicContact CD1-CB 4.37Å; F139-E149 HydrophobicContact CD1-CG 3.88Å; F139-E149 HydrophobicContact CE1-CB 4.41Å; F139-E149 HydrophobicContact CE1-CG 3.72Å; F139-L154 HydrophobicContact CZ-CD1 4.07Å; F139-I156 HydrophobicContact CZ-CD1 4.04Å; F139-V161 HydrophobicContact CB-CG1 3.93Å; F139-V161 HydrophobicContact CD1-CG1 3.87Å; F139-V161 HydrophobicContact CD1-CG2 4.46Å; F139-V161 HydrophobicContact CD2-CG1 3.59Å; F139-V161 HydrophobicContact CE1-CG1 4.26Å; F139-V161 HydrophobicContact CE1-CG2 4.12Å; F139-V161 HydrophobicContact CE2-CG1 3.96Å; F139-V161 HydrophobicContact CE2-CG2 4.4Å; F139-V161 HydrophobicContact CG-CG1 3.51Å; F139-V161 HydrophobicContact CZ-CG1 4.29Å; F139-V161 HydrophobicContact CZ-CG2 4.08Å; F139-L164 HydrophobicContact CE2-CD1 4.37Å; F139-F165 HydrophobicContact CB-CE2 3.7Å; F139-F165 HydrophobicContact CB-CZ 3.74Å
140	E	90.7	Very high	82.4	Confident	47 Å²	47	70.4 Å²	70.4	22%	0.22	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.6	175.3	-178.4	176.5	-140.9	0	0	109.1	N119 I121 I147 N148 V150	N119-E140 HydrophobicContact CB-CG 4.07Å; N119-E140 PolarHBondContact ND2-OE1 2.97Å; I121-E140 HydrophobicContact CG1-CG 4.42Å; E140-I147 CarbonylContact O-C 3.56Å; E140-I147 WeakPolarHBondContact O-CA 3.46Å; E140-N148 PolarHBondContact N-O 3.25Å; E140-N148 PolarHBondContact O-N 3.35Å; E140-V150 HydrophobicContact CB-CG2 3.92Å
141	R	91	Very high	83.3	Confident	61 Å²	61	69.4 Å²	69.4	23%	0.23	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.5	172.7	-175.8	174.7	66.4	-178.2	-0.2	109.2	N119 N120 E146 I147 F165 N166	N119-R141 WeakPolarHBondContact CA-O 3.45Å; N120-R141 HydrophobicContact CB-CB 4.37Å; N120-R141 PolarHBondContact N-O 3.28Å; N120-R141 PolarHBondContact ND2-NH2 2.78Å; N120-R141 PolarHBondContact O-N 3.36Å; R141-E146 WeakPolarHBondContact CA-O 3.35Å; R141-I147 HydrophobicContact CB-CG1 4Å; R141-I147 HydrophobicContact CG-CG1 3.92Å; R141-F165 HydrophobicContact CB-CD1 4.34Å; R141-F165 HydrophobicContact CB-CD2 4.33Å; R141-F165 HydrophobicContact CB-CE1 3.89Å; R141-F165 HydrophobicContact CB-CE2 3.88Å; R141-F165 HydrophobicContact CB-CZ 3.65Å; R141-N166 PolarHBondContact NH1-OD1 2.86Å; R141-N166 VanDerWaalsContact NH1-OD1 3.14Å
142	K	88	Confident	83.9	Confident	72 Å²	72	67.8 Å²	67.8	31%	0.313	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	164.1	175	-61.1	-178.5	-170.8	157.5	0	111.1	S144 G145 E146 N148	K142-S144 PolarHBondContact O-N 2.85Å; K142-G145 WeakPolarHBondContact O-CA 3.24Å; K142-G145 PolarHBondContact O-N 3.49Å; K142-E146 PolarHBondContact N-O 3.35Å; K142-E146 IonicContact NZ-OE1 2.76Å; K142-E146 PolarHBondContact NZ-OE1 3.13Å; K142-E146 IonicContact NZ-OE2 3.85Å; K142-E146 PolarHBondContact NZ-OE2 2.98Å; K142-N148 WeakPolarHBondContact CE-ND2 3.48Å; K142-N148 PolarHBondContact NZ-ND2 2.87Å
143	D	84.4	Confident	84.1	Confident	131 Å²	131	65.7 Å²	65.7	70%	0.701	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.5	174.1	-69.1	-33.6	0	0	0	113.9	G145	D143-G145 PolarHBondContact O-N 3.17Å
144	S	84.9	Confident	83.6	Confident	91 Å²	91	59.3 Å²	59.3	64%	0.636	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.9	173.3	61.2	0	0	0	0	113.8	K142 E146	K142-S144 PolarHBondContact O-N 2.85Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.28Å; S144-E146 WeakPolarHBondContact OG-CB 3.35Å; S144-E146 PolarHBondContact OG-N 3.12Å
145	G	83.4	Confident	83	Confident	29 Å²	29	59.3 Å²	59.3	30%	0.299	33%	0.334	S	S	.	.	S	Bend	trans	82.7	-3.5	-172.3	0	0	0	0	0	114.1	K142 D143 R158	K142-G145 WeakPolarHBondContact O-CA 3.24Å; K142-G145 PolarHBondContact O-N 3.49Å; D143-G145 PolarHBondContact O-N 3.17Å; G145-R158 PolarHBondContact O-NH2 2.65Å
146	E	85.2	Confident	82.4	Confident	73 Å²	73	58.9 Å²	58.9	34%	0.341	33%	0.332	S	S	.	.			trans	-63.4	134.8	173.6	-168.6	-163.8	151	0	0	110.5	R141 K142 S144 N148	R141-E146 WeakPolarHBondContact CA-O 3.35Å; K142-E146 PolarHBondContact N-O 3.35Å; K142-E146 IonicContact NZ-OE1 2.76Å; K142-E146 PolarHBondContact NZ-OE1 3.13Å; K142-E146 IonicContact NZ-OE2 3.85Å; K142-E146 PolarHBondContact NZ-OE2 2.98Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.28Å; S144-E146 WeakPolarHBondContact OG-CB 3.35Å; S144-E146 PolarHBondContact OG-N 3.12Å; E146-N148 PolarHBondContact OE1-ND2 2.85Å; E146-N148 PolarHBondContact OE1-OD1 3.03Å
147	I	87	Confident	82	Confident	26 Å²	26	58.8 Å²	58.8	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.2	177.8	-65.7	170.3	0	0	0	109	F139 E140 R141 R158 V161 E162 F165	F139-I147 HydrophobicContact CB-CG2 4.35Å; E140-I147 CarbonylContact O-C 3.56Å; E140-I147 WeakPolarHBondContact O-CA 3.46Å; R141-I147 HydrophobicContact CB-CG1 4Å; R141-I147 HydrophobicContact CG-CG1 3.92Å; I147-R158 HydrophobicContact CD1-CG 4.43Å; I147-V161 HydrophobicContact CD1-CG1 4.44Å; I147-V161 HydrophobicContact CG2-CB 4.29Å; I147-V161 HydrophobicContact CG2-CG1 3.68Å; I147-E162 HydrophobicContact CD1-CB 4.37Å; I147-E162 HydrophobicContact CD1-CG 3.35Å; I147-F165 HydrophobicContact CD1-CD2 4.01Å; I147-F165 HydrophobicContact CD1-CE2 4.16Å; I147-F165 HydrophobicContact CG1-CE2 4.22Å; I147-F165 HydrophobicContact CG2-CE2 4.03Å
148	N	86.6	Confident	81.7	Confident	52 Å²	52	65 Å²	65	28%	0.278	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.7	178.6	-73.1	-57.4	0	0	0	111.4	F139 E140 K142 E146	F139-N148 CarbonylContact C-O 3.54Å; F139-N148 VanDerWaalsContact CA-O 3.3Å; F139-N148 WeakPolarHBondContact CA-O 3.08Å; E140-N148 PolarHBondContact N-O 3.25Å; E140-N148 PolarHBondContact O-N 3.35Å; K142-N148 WeakPolarHBondContact CE-ND2 3.48Å; K142-N148 PolarHBondContact NZ-ND2 2.87Å; E146-N148 PolarHBondContact OE1-ND2 2.85Å; E146-N148 PolarHBondContact OE1-OD1 3.03Å
149	E	80.4	Confident	81.5	Confident	57 Å²	57	67.4 Å²	67.4	27%	0.266	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.8	168.9	-51.2	-164.6	-132.2	0	0	108.8	F139 V153 L154 R155	F139-E149 HydrophobicContact CD1-CB 4.37Å; F139-E149 HydrophobicContact CD1-CG 3.88Å; F139-E149 HydrophobicContact CE1-CB 4.41Å; F139-E149 HydrophobicContact CE1-CG 3.72Å; E149-V153 HydrophobicContact CB-CG1 4.23Å; E149-V153 HydrophobicContact CB-CG2 4.32Å; E149-V153 HydrophobicContact CG-CG1 4.38Å; E149-V153 WeakPolarHBondContact OE2-CA 2.89Å; E149-V153 WeakPolarHBondContact OE2-CG1 3.17Å; E149-L154 WeakPolarHBondContact OE2-CA 3.41Å; E149-L154 PolarHBondContact OE2-N 2.83Å; E149-R155 WeakPolarHBondContact OE1-CA 3.47Å; E149-R155 PolarHBondContact OE1-N 2.94Å; E149-R155 PolarHBondContact OE2-N 2.03Å; E149-R155 VanDerWaalsContact OE2-N 3.1Å
150	V	79.8	Confident	81.1	Confident	71 Å²	71	68.6 Å²	68.6	43%	0.43	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.1	-176.8	-177.1	0	0	0	0	109	S138 E140	S138-V150 PolarHBondContact O-N 3.21Å; E140-V150 HydrophobicContact CB-CG2 3.92Å
151	G	76.7	Confident	80.9	Confident	71 Å²	71	66.5 Å²	66.5	73%	0.732	36%	0.359	S	S	*	.	S	Bend	trans	86.6	-114.6	-177.2	0	0	0	0	0	112.5	V153	G151-V153 PolarHBondContact O-N 2.78Å
152	V	74.8	Confident	80.7	Confident	62 Å²	62	66.9 Å²	66.9	38%	0.376	36%	0.363	S	S	.	.	S	Bend	trans	-73.7	116.9	179.3	-179.7	0	0	0	0	109.6	I135 T136 L154	I135-V152 HydrophobicContact CD1-CG1 4.06Å; T136-V152 WeakPolarHBondContact O-CG2 3.21Å; V152-L154 HydrophobicContact CG1-CD2 4.29Å
153	V	73.2	Confident	80.6	Confident	83 Å²	83	67.2 Å²	67.2	50%	0.503	37%	0.372	S	S	.	.			trans	-87.5	114.2	-179.9	-173.9	0	0	0	0	109.7	E149 G151 R155	E149-V153 HydrophobicContact CB-CG1 4.23Å; E149-V153 HydrophobicContact CB-CG2 4.32Å; E149-V153 HydrophobicContact CG-CG1 4.38Å; E149-V153 WeakPolarHBondContact OE2-CA 2.89Å; E149-V153 WeakPolarHBondContact OE2-CG1 3.17Å; G151-V153 PolarHBondContact O-N 2.78Å; V153-R155 HydrophobicContact CG1-CG 3.62Å
154	L	68.3	Low	80.8	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.037	34%	0.339	C	S	.	.			trans	-81.7	-22	174.6	-56	-169.8	0	0	0	112.7	I135 F137 F139 E149 V152 I156 R176	I135-L154 HydrophobicContact CD1-CD2 3.26Å; F137-L154 HydrophobicContact CB-CD1 4.18Å; F137-L154 HydrophobicContact CB-CD2 4.38Å; F137-L154 HydrophobicContact CB-CG 4.2Å; F137-L154 HydrophobicContact CD1-CD1 3.72Å; F137-L154 HydrophobicContact CD2-CD1 3.76Å; F137-L154 HydrophobicContact CE1-CD1 4Å; F137-L154 HydrophobicContact CE2-CD1 4.06Å; F137-L154 HydrophobicContact CG-CD1 3.59Å; F137-L154 HydrophobicContact CG-CG 4.16Å; F137-L154 HydrophobicContact CZ-CD1 4.15Å; F139-L154 HydrophobicContact CZ-CD1 4.07Å; E149-L154 WeakPolarHBondContact OE2-CA 3.41Å; E149-L154 PolarHBondContact OE2-N 2.83Å; V152-L154 HydrophobicContact CG1-CD2 4.29Å; L154-I156 HydrophobicContact CB-CD1 3.54Å; L154-I156 HydrophobicContact CB-CG1 3.82Å; L154-I156 HydrophobicContact CD1-CD1 3.54Å; L154-I156 HydrophobicContact CG-CD1 4.18Å; L154-R176 PolarHBondContact O-NH1 2.77Å
155	R	70.8	Confident	81	Confident	165 Å²	165	57.5 Å²	57.5	62%	0.623	31%	0.312	S	S	*	.			trans	56.4	47.1	-176	-56.7	-174.4	175.5	-168.1	-2.5	112.3	E149 V153	E149-R155 WeakPolarHBondContact OE1-CA 3.47Å; E149-R155 PolarHBondContact OE1-N 2.94Å; E149-R155 PolarHBondContact OE2-N 2.03Å; E149-R155 VanDerWaalsContact OE2-N 3.1Å; V153-R155 HydrophobicContact CG1-CG 3.62Å
156	I	72.7	Confident	81.1	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.051	33%	0.328	C	S	.	.			trans	-86.1	142.5	175.9	-65	158.5	0	0	0	108.4	F139 L154 R158 M160 V161 I174	F139-I156 HydrophobicContact CZ-CD1 4.04Å; L154-I156 HydrophobicContact CB-CD1 3.54Å; L154-I156 HydrophobicContact CB-CG1 3.82Å; L154-I156 HydrophobicContact CD1-CD1 3.54Å; L154-I156 HydrophobicContact CG-CD1 4.18Å; I156-R158 PolarHBondContact O-N 3.19Å; I156-M160 HydrophobicContact CG2-CB 3.64Å; I156-M160 HydrophobicContact CG2-CG 4.45Å; I156-M160 HydrophobicContact CG2-SD 4.14Å; I156-V161 HydrophobicContact CB-CG2 4.02Å; I156-V161 HydrophobicContact CG2-CG2 3.87Å; I156-I174 HydrophobicContact CD1-CD1 3.26Å; I156-I174 HydrophobicContact CG1-CD1 3.84Å; I156-I174 HydrophobicContact CG1-CG2 4.44Å; I156-I174 HydrophobicContact CG2-CD1 4.35Å
157	K	77.8	Confident	81	Confident	103 Å²	103	63.4 Å²	63.4	45%	0.448	34%	0.339	S	S	.	.			trans	-57.9	135.9	177.7	-69	-175	179.4	-177.3	0	110.1	S159 M160 V161	K157-S159 VanDerWaalsContact C-N 3.28Å; K157-S159 PolarHBondContact O-N 2.89Å; K157-S159 VanDerWaalsContact O-N 3.17Å; K157-M160 HydrophobicContact CB-CG 4.39Å; K157-M160 HydrophobicContact CB-SD 4.43Å; K157-M160 WeakPolarHBondContact O-CB 3.01Å; K157-M160 PolarHBondContact O-N 3.38Å; K157-V161 PolarHBondContact O-N 2.88Å
158	R	81.2	Confident	80.6	Confident	135 Å²	135	65.2 Å²	65.2	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-48.5	-46.4	-177.8	179.7	-179.6	172.8	164.9	3.9	113.4	G145 I147 I156 M160 V161 E162	G145-R158 PolarHBondContact O-NH2 2.65Å; I147-R158 HydrophobicContact CD1-CG 4.43Å; I156-R158 PolarHBondContact O-N 3.19Å; R158-M160 PolarHBondContact O-N 3.47Å; R158-V161 PolarHBondContact O-N 3.47Å; R158-E162 HydrophobicContact CG-CG 4.33Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 IonicContact CZ-OE1 2.89Å; R158-E162 IonicContact NE-OE1 3.19Å; R158-E162 PolarHBondContact NE-OE1 2.68Å; R158-E162 IonicContact NH2-OE1 3.78Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 2.55Å
159	S	83.2	Confident	80.3	Confident	70 Å²	70	65.2 Å²	65.2	49%	0.49	36%	0.356	S	S	.	.	H	α-helix	trans	-58.8	-30.4	179.5	54.2	0	0	0	0	113.8	K157 T163	K157-S159 VanDerWaalsContact C-N 3.28Å; K157-S159 PolarHBondContact O-N 2.89Å; K157-S159 VanDerWaalsContact O-N 3.17Å; S159-T163 PolarHBondContact O-N 2.67Å; S159-T163 PolarHBondContact O-OG1 3.46Å
160	M	83.5	Confident	80.4	Confident	25 Å²	25	65.5 Å²	65.5	12%	0.123	36%	0.362	C	S	.	.	H	α-helix	trans	-74.8	-41.6	174.9	-63.1	-179	162	0	0	111.1	I156 K157 R158 E162 T163 L164 T181 I183	I156-M160 HydrophobicContact CG2-CB 3.64Å; I156-M160 HydrophobicContact CG2-CG 4.45Å; I156-M160 HydrophobicContact CG2-SD 4.14Å; K157-M160 HydrophobicContact CB-CG 4.39Å; K157-M160 HydrophobicContact CB-SD 4.43Å; K157-M160 WeakPolarHBondContact O-CB 3.01Å; K157-M160 PolarHBondContact O-N 3.38Å; R158-M160 PolarHBondContact O-N 3.47Å; M160-E162 VanDerWaalsContact C-N 3.3Å; M160-E162 PolarHBondContact O-N 2.98Å; M160-T163 VanDerWaalsContact O-CB 3.31Å; M160-T163 WeakPolarHBondContact O-CB 3.49Å; M160-T163 PolarHBondContact O-N 2.91Å; M160-T163 VanDerWaalsContact O-N 3.13Å; M160-L164 WeakPolarHBondContact O-CG 3.4Å; M160-L164 PolarHBondContact O-N 3.49Å; M160-T181 HydrophobicContact CE-CG2 4.47Å; M160-T181 WeakPolarHBondContact CE-O 3.15Å; M160-T181 HydrophobicContact SD-CG2 3.79Å; M160-I183 HydrophobicContact CB-CD1 4.34Å; M160-I183 HydrophobicContact CE-CB 4.1Å; M160-I183 HydrophobicContact CE-CG2 3.86Å; M160-I183 HydrophobicContact CG-CB 4.42Å; M160-I183 HydrophobicContact CG-CG2 4.02Å; M160-I183 HydrophobicContact SD-CB 4Å; M160-I183 HydrophobicContact SD-CG2 4.12Å
161	V	85.8	Confident	80.7	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-63.7	-39	175.2	-171.6	0	0	0	0	110.8	F139 I147 I156 K157 R158 T163 L164 F165	F139-V161 HydrophobicContact CB-CG1 3.93Å; F139-V161 HydrophobicContact CD1-CG1 3.87Å; F139-V161 HydrophobicContact CD1-CG2 4.46Å; F139-V161 HydrophobicContact CD2-CG1 3.59Å; F139-V161 HydrophobicContact CE1-CG1 4.26Å; F139-V161 HydrophobicContact CE1-CG2 4.12Å; F139-V161 HydrophobicContact CE2-CG1 3.96Å; F139-V161 HydrophobicContact CE2-CG2 4.4Å; F139-V161 HydrophobicContact CG-CG1 3.51Å; F139-V161 HydrophobicContact CZ-CG1 4.29Å; F139-V161 HydrophobicContact CZ-CG2 4.08Å; I147-V161 HydrophobicContact CD1-CG1 4.44Å; I147-V161 HydrophobicContact CG2-CB 4.29Å; I147-V161 HydrophobicContact CG2-CG1 3.68Å; I156-V161 HydrophobicContact CB-CG2 4.02Å; I156-V161 HydrophobicContact CG2-CG2 3.87Å; K157-V161 PolarHBondContact O-N 2.88Å; R158-V161 PolarHBondContact O-N 3.47Å; V161-T163 VanDerWaalsContact C-N 3.28Å; V161-T163 PolarHBondContact O-N 3.08Å; V161-L164 WeakPolarHBondContact O-CB 3.31Å; V161-L164 PolarHBondContact O-N 3.32Å; V161-L164 VanDerWaalsContact O-N 3.07Å; V161-F165 HydrophobicContact CG1-CD2 3.96Å; V161-F165 HydrophobicContact CG1-CE2 3.79Å; V161-F165 WeakPolarHBondContact O-CD2 3.01Å; V161-F165 PolarHBondContact O-N 3.41Å
162	E	87.6	Confident	81.3	Confident	68 Å²	68	60.4 Å²	60.4	32%	0.318	32%	0.317	S	S	.	.	H	α-helix	trans	-57.5	-42	172.2	-72.4	170.7	178	0	0	111.7	I147 R158 M160 L164 F165 N166	I147-E162 HydrophobicContact CD1-CB 4.37Å; I147-E162 HydrophobicContact CD1-CG 3.35Å; R158-E162 HydrophobicContact CG-CG 4.33Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 IonicContact CZ-OE1 2.89Å; R158-E162 IonicContact NE-OE1 3.19Å; R158-E162 PolarHBondContact NE-OE1 2.68Å; R158-E162 IonicContact NH2-OE1 3.78Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 2.55Å; M160-E162 VanDerWaalsContact C-N 3.3Å; M160-E162 PolarHBondContact O-N 2.98Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 3.34Å; E162-F165 PolarHBondContact O-N 3.34Å; E162-N166 WeakPolarHBondContact O-CB 3.43Å; E162-N166 PolarHBondContact O-N 3.35Å; E162-N166 PolarHBondContact O-ND2 3.07Å
163	T	86.4	Confident	81.9	Confident	80 Å²	80	57.4 Å²	57.4	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-41.3	174.6	-55	0	0	0	0	111.3	S159 M160 V161 F165 N166 N167	S159-T163 PolarHBondContact O-N 2.67Å; S159-T163 PolarHBondContact O-OG1 3.46Å; M160-T163 VanDerWaalsContact O-CB 3.31Å; M160-T163 WeakPolarHBondContact O-CB 3.49Å; M160-T163 PolarHBondContact O-N 2.91Å; M160-T163 VanDerWaalsContact O-N 3.13Å; V161-T163 VanDerWaalsContact C-N 3.28Å; V161-T163 PolarHBondContact O-N 3.08Å; T163-F165 VanDerWaalsContact C-N 3.34Å; T163-F165 PolarHBondContact O-N 2.81Å; T163-N166 PolarHBondContact O-N 2.75Å; T163-N167 PolarHBondContact O-N 3.16Å
164	L	88.1	Confident	82.5	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-33.4	176.5	-63	179.7	0	0	0	113.1	I108 L111 L122 F139 M160 V161 E162 P168 V172 I183	I108-L164 HydrophobicContact CD1-CD1 4.08Å; L111-L164 HydrophobicContact CD1-CB 4.42Å; L111-L164 HydrophobicContact CD1-CD1 4.47Å; L111-L164 HydrophobicContact CD1-CD2 3.91Å; L111-L164 HydrophobicContact CD1-CG 4.5Å; L122-L164 HydrophobicContact CD2-CB 3.66Å; F139-L164 HydrophobicContact CE2-CD1 4.37Å; M160-L164 WeakPolarHBondContact O-CG 3.4Å; M160-L164 PolarHBondContact O-N 3.49Å; V161-L164 WeakPolarHBondContact O-CB 3.31Å; V161-L164 PolarHBondContact O-N 3.32Å; V161-L164 VanDerWaalsContact O-N 3.07Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 3.34Å; L164-P168 VanDerWaalsContact O-CA 3.22Å; L164-P168 WeakPolarHBondContact O-CA 3.14Å; L164-P168 WeakPolarHBondContact O-CB 3.13Å; L164-V172 HydrophobicContact CD2-CG1 4.04Å; L164-I183 HydrophobicContact CD2-CD1 3.93Å; L164-I183 HydrophobicContact CG-CD1 4.26Å
165	F	88.4	Confident	83	Confident	15 Å²	15	53.1 Å²	53.1	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-70.7	-39.8	173	-87	-73.1	0	0	0	112.7	N120 L122 F139 R141 I147 V161 E162 T163	N120-F165 HydrophobicContact CB-CD1 4.38Å; N120-F165 HydrophobicContact CB-CE1 4.12Å; N120-F165 VanDerWaalsContact O-CE1 3.23Å; N120-F165 WeakPolarHBondContact O-CE1 3.25Å; L122-F165 HydrophobicContact CB-CD1 4.03Å; L122-F165 HydrophobicContact CB-CE1 3.53Å; L122-F165 HydrophobicContact CB-CE2 4.38Å; L122-F165 HydrophobicContact CB-CZ 3.72Å; F139-F165 HydrophobicContact CB-CE2 3.7Å; F139-F165 HydrophobicContact CB-CZ 3.74Å; R141-F165 HydrophobicContact CB-CD1 4.34Å; R141-F165 HydrophobicContact CB-CD2 4.33Å; R141-F165 HydrophobicContact CB-CE1 3.89Å; R141-F165 HydrophobicContact CB-CE2 3.88Å; R141-F165 HydrophobicContact CB-CZ 3.65Å; I147-F165 HydrophobicContact CD1-CD2 4.01Å; I147-F165 HydrophobicContact CD1-CE2 4.16Å; I147-F165 HydrophobicContact CG1-CE2 4.22Å; I147-F165 HydrophobicContact CG2-CE2 4.03Å; V161-F165 HydrophobicContact CG1-CD2 3.96Å; V161-F165 HydrophobicContact CG1-CE2 3.79Å; V161-F165 WeakPolarHBondContact O-CD2 3.01Å; V161-F165 PolarHBondContact O-N 3.41Å; E162-F165 PolarHBondContact O-N 3.34Å; T163-F165 VanDerWaalsContact C-N 3.34Å; T163-F165 PolarHBondContact O-N 2.81Å
166	N	85	Confident	82.9	Confident	118 Å²	118	47.9 Å²	47.9	63%	0.631	25%	0.254	S	S	*	.	H	α-helix	trans	-80.2	-30.7	-175.2	-65.4	-20.5	0	0	0	112.2	R141 E162 T163	R141-N166 PolarHBondContact NH1-OD1 2.86Å; R141-N166 VanDerWaalsContact NH1-OD1 3.14Å; E162-N166 WeakPolarHBondContact O-CB 3.43Å; E162-N166 PolarHBondContact O-N 3.35Å; E162-N166 PolarHBondContact O-ND2 3.07Å; T163-N166 PolarHBondContact O-N 2.75Å
167	N	83.1	Confident	82.6	Confident	107 Å²	107	47.8 Å²	47.8	57%	0.572	25%	0.254	S	S	*	.	S	Bend	trans	-141.1	77.3	177.1	-170.7	5.1	0	0	0	110.1	T163 S169	T163-N167 PolarHBondContact O-N 3.16Å; N167-S169 PolarHBondContact O-N 2.94Å; N167-S169 PolarHBondContact O-OG 3.36Å
168	P	80.3	Confident	81.6	Confident	65 Å²	65	46.8 Å²	46.8	42%	0.422	25%	0.25	S	S	.	.			trans	-65	99.8	178.9	26.6	-32.7	0	0	0	108.8	L122 L164	L122-P168 HydrophobicContact CD1-CB 4.33Å; L164-P168 VanDerWaalsContact O-CA 3.22Å; L164-P168 WeakPolarHBondContact O-CA 3.14Å; L164-P168 WeakPolarHBondContact O-CB 3.13Å
169	S	80.3	Confident	80.6	Confident	52 Å²	52	46.6 Å²	46.6	36%	0.364	26%	0.255	S	S	.	.			trans	-120.6	135	178.5	52.5	0	0	0	0	109	N167	N167-S169 PolarHBondContact O-N 2.94Å; N167-S169 PolarHBondContact O-OG 3.36Å
170	T	80.8	Confident	79.9	Confident	63 Å²	63	45 Å²	45	39%	0.387	24%	0.244	S	C	.	.	S	Bend	trans	-140	147.7	175.4	50.2	0	0	0	0	111.4	I108 L111	I108-T170 HydrophobicContact CG2-CG2 4.03Å; L111-T170 HydrophobicContact CB-CG2 3.71Å; L111-T170 HydrophobicContact CD1-CG2 3.66Å; L111-T170 HydrophobicContact CG-CG2 3.49Å; L111-T170 VanDerWaalsContact CG-CG2 3.49Å
171	P	86.5	Confident	79.6	Confident	27 Å²	27	44.6 Å²	44.6	18%	0.175	24%	0.243	C	C	.	.	S	Bend	cis	-79.6	150.6	0.9	27.9	-26	0	0	0	113.1	I108 C186 T187 L188	I108-P171 WeakPolarHBondContact O-CA 3.19Å; I108-P171 WeakPolarHBondContact O-CB 3.39Å; P171-C186 WeakPolarHBondContact CG-O 3.17Å; P171-T187 VanDerWaalsContact CG-C 3.45Å; P171-L188 HydrophobicContact CB-CD2 4.15Å; P171-L188 HydrophobicContact CG-CD2 3.94Å; P171-L188 HydrophobicContact CG-CG 3.97Å
172	V	89.5	Confident	79.3	Confident	7 Å²	7	46 Å²	46	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.4	175.7	65.3	0	0	0	0	109.2	I108 L164 I183 T184 C186	I108-V172 HydrophobicContact CB-CG1 3.69Å; I108-V172 HydrophobicContact CD1-CG1 3.87Å; I108-V172 HydrophobicContact CG1-CG1 4.18Å; I108-V172 HydrophobicContact CG2-CG1 4.28Å; I108-V172 PolarHBondContact N-O 2.86Å; I108-V172 PolarHBondContact O-N 2.8Å; L164-V172 HydrophobicContact CD2-CG1 4.04Å; V172-I183 HydrophobicContact CG2-CD1 3.76Å; V172-I183 HydrophobicContact CG2-CG1 3.39Å; V172-T184 WeakPolarHBondContact CG2-O 3.48Å; V172-C186 VanDerWaalsContact C-SG 3.51Å
173	C	86.8	Confident	79.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.9	-176.6	-77.1	0	0	0	0	109.4	I106 I183 T184 C186 M195	I106-C173 CarbonylContact O-C 3.52Å; I106-C173 WeakPolarHBondContact O-CA 3.42Å; C173-I183 WeakPolarHBondContact O-CA 3.48Å; C173-T184 HydrophobicContact CB-CG2 3.95Å; C173-T184 PolarHBondContact N-O 3.36Å; C173-T184 PolarHBondContact O-N 3.4Å; C173-C186 HydrophobicContact CB-CB 3.72Å; C173-C186 WeakPolarHBondContact CB-SG 2.77Å; C173-C186 PolarHBondContact N-SG 3.3Å; C173-C186 WeakPolarHBondContact SG-CB 3.35Å; C173-C186 CovalentContact SG-SG 2.04Å; C173-C186 PolarHBondContact SG-SG 2.91Å; C173-M195 HydrophobicContact CB-CG 3.63Å; C173-M195 HydrophobicContact CB-SD 3.51Å; C173-M195 VanDerWaalsContact CB-SD 3.51Å
174	I	85.7	Confident	79.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.9	179	-59.5	174.8	0	0	0	107.5	G105 I106 I108 I156 R176 T181 E182 I183	G105-I174 CarbonylContact C-O 3.57Å; G105-I174 WeakPolarHBondContact CA-O 3.46Å; I106-I174 HydrophobicContact CB-CB 4.23Å; I106-I174 PolarHBondContact N-O 3.34Å; I106-I174 PolarHBondContact O-N 2.84Å; I108-I174 HydrophobicContact CD1-CD1 3.71Å; I108-I174 HydrophobicContact CG1-CD1 4.47Å; I156-I174 HydrophobicContact CD1-CD1 3.26Å; I156-I174 HydrophobicContact CG1-CD1 3.84Å; I156-I174 HydrophobicContact CG1-CG2 4.44Å; I156-I174 HydrophobicContact CG2-CD1 4.35Å; I174-R176 HydrophobicContact CG2-CG 4.36Å; I174-T181 HydrophobicContact CG2-CG2 3.49Å; I174-T181 VanDerWaalsContact CG2-CG2 3.49Å; I174-E182 CarbonylContact C-O 3.42Å; I174-E182 VanDerWaalsContact CA-O 3.24Å; I174-E182 WeakPolarHBondContact CA-O 3.09Å; I174-I183 HydrophobicContact CD1-CD1 4.45Å; I174-I183 HydrophobicContact CG1-CD1 4.26Å; I174-I183 HydrophobicContact CG1-CG1 4.04Å
175	I	78.7	Confident	79	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.7	-179.8	-52.3	167.1	0	0	0	106.7	I102 T181 E182 T184 M195 L196 Q198	I102-I175 HydrophobicContact CG2-CG2 4.3Å; I175-T181 WeakPolarHBondContact O-CA 3.46Å; I175-E182 HydrophobicContact CB-CB 4.4Å; I175-E182 PolarHBondContact N-O 2.81Å; I175-E182 PolarHBondContact O-N 3.24Å; I175-T184 HydrophobicContact CD1-CG2 4.37Å; I175-M195 HydrophobicContact CD1-CG 4.25Å; I175-M195 WeakPolarHBondContact CD1-O 3.45Å; I175-M195 HydrophobicContact CG1-CG 3.99Å; I175-L196 HydrophobicContact CG2-CD2 4.08Å; I175-Q198 HydrophobicContact CD1-CB 4.46Å
176	R	70.4	Confident	78.8	Confident	55 Å²	55	48 Å²	48	21%	0.208	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.3	177.5	-63.7	-174.3	68.5	-176	-3.6	108.7	L103 I104 L154 I174 T181	L103-R176 PolarHBondContact N-O 3.19Å; I104-R176 HydrophobicContact CB-CB 4.37Å; I104-R176 PolarHBondContact N-O 2.91Å; I104-R176 PolarHBondContact O-N 3.37Å; L154-R176 PolarHBondContact O-NH1 2.77Å; I174-R176 HydrophobicContact CG2-CG 4.36Å; R176-T181 HydrophobicContact CG-CG2 3.99Å
177	V	65.3	Low	78.7	Confident	8 Å²	8	45.8 Å²	45.8	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	167.1	164.5	-53.2	0	0	0	0	108.4	R101 I102 E179 S180 A201 F222	R101-V177 CarbonylContact O-C 3.57Å; R101-V177 WeakPolarHBondContact O-CA 3.42Å; R101-V177 WeakPolarHBondContact O-CB 2.94Å; I102-V177 HydrophobicContact CB-CG1 4.42Å; I102-V177 HydrophobicContact CG1-CG1 3.94Å; V177-E179 PolarHBondContact O-N 2.94Å; V177-S180 CarbonylContact C-O 3.55Å; V177-S180 WeakPolarHBondContact CG2-O 2.91Å; V177-S180 WeakPolarHBondContact CG2-OG 3.2Å; V177-S180 PolarHBondContact N-O 3.38Å; V177-S180 PolarHBondContact O-N 3.37Å; V177-A201 HydrophobicContact CG1-CB 4.12Å; V177-F222 HydrophobicContact CB-CE1 4.15Å; V177-F222 HydrophobicContact CG1-CE1 4.21Å; V177-F222 HydrophobicContact CG2-CE1 4.29Å
178	E	57.4	Low	78.6	Confident	81 Å²	81	45.4 Å²	45.4	38%	0.379	26%	0.258	S	S	.	.	S	Bend	trans	-55	-38.8	-175.2	-168.6	-179.2	158.1	0	0	113.1	K96 R101 L103	K96-E178 WeakPolarHBondContact CE-OE1 3.36Å; K96-E178 WeakPolarHBondContact CE-OE2 3.05Å; K96-E178 IonicContact NZ-OE1 2.87Å; K96-E178 PolarHBondContact NZ-OE1 3.24Å; K96-E178 IonicContact NZ-OE2 2.81Å; R101-E178 PolarHBondContact N-OE2 3.05Å; R101-E178 PolarHBondContact O-N 2.93Å; L103-E178 HydrophobicContact CD1-CB 4.4Å
179	E	60.9	Low	78.5	Confident	132 Å²	132	51.4 Å²	51.4	62%	0.617	28%	0.278	S	S	*	.	S	Bend	trans	-102.6	-13	-173.9	-65.6	172.8	-156.1	0	0	113.3	S100 V177	S100-E179 VanDerWaalsContact OG-CD 3.23Å; S100-E179 PolarHBondContact OG-OE1 3.45Å; V177-E179 PolarHBondContact O-N 2.94Å
180	S	66.9	Low	78.3	Confident	36 Å²	36	49.9 Å²	49.9	25%	0.252	27%	0.265	S	S	.	.			trans	-149.1	163.5	-170.4	100.9	0	0	0	0	112.8	V177	V177-S180 CarbonylContact C-O 3.55Å; V177-S180 WeakPolarHBondContact CG2-O 2.91Å; V177-S180 WeakPolarHBondContact CG2-OG 3.2Å; V177-S180 PolarHBondContact N-O 3.38Å; V177-S180 PolarHBondContact O-N 3.37Å
181	T	77.3	Confident	77.8	Confident	16 Å²	16	49.2 Å²	49.2	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.1	171.1	-59.2	0	0	0	0	105	M160 I174 I175 R176	M160-T181 HydrophobicContact CE-CG2 4.47Å; M160-T181 WeakPolarHBondContact CE-O 3.15Å; M160-T181 HydrophobicContact SD-CG2 3.79Å; I174-T181 HydrophobicContact CG2-CG2 3.49Å; I174-T181 VanDerWaalsContact CG2-CG2 3.49Å; I175-T181 WeakPolarHBondContact O-CA 3.46Å; R176-T181 HydrophobicContact CG-CG2 3.99Å
182	E	80.9	Confident	77	Confident	33 Å²	33	50 Å²	50	15%	0.154	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.9	-178.1	-63.2	177.7	175.9	0	0	108	I174 I175 S199 S200	I174-E182 CarbonylContact C-O 3.42Å; I174-E182 VanDerWaalsContact CA-O 3.24Å; I174-E182 WeakPolarHBondContact CA-O 3.09Å; I175-E182 HydrophobicContact CB-CB 4.4Å; I175-E182 PolarHBondContact N-O 2.81Å; I175-E182 PolarHBondContact O-N 3.24Å; E182-S199 WeakPolarHBondContact OE2-CA 3.44Å; E182-S199 WeakPolarHBondContact OE2-CB 3.46Å; E182-S199 PolarHBondContact OE2-OG 2.76Å; E182-S200 WeakPolarHBondContact OE1-CB 3.39Å; E182-S200 PolarHBondContact OE1-N 3.39Å; E182-S200 PolarHBondContact OE1-OG 2.89Å; E182-S200 PolarHBondContact OE2-N 2.75Å
183	I	86	Confident	75.9	Confident	54 Å²	54	51.1 Å²	51.1	28%	0.277	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.4	174.5	-168.3	166.1	0	0	0	107.9	M160 L164 V172 C173 I174	M160-I183 HydrophobicContact CB-CD1 4.34Å; M160-I183 HydrophobicContact CE-CB 4.1Å; M160-I183 HydrophobicContact CE-CG2 3.86Å; M160-I183 HydrophobicContact CG-CB 4.42Å; M160-I183 HydrophobicContact CG-CG2 4.02Å; M160-I183 HydrophobicContact SD-CB 4Å; M160-I183 HydrophobicContact SD-CG2 4.12Å; L164-I183 HydrophobicContact CD2-CD1 3.93Å; L164-I183 HydrophobicContact CG-CD1 4.26Å; V172-I183 HydrophobicContact CG2-CD1 3.76Å; V172-I183 HydrophobicContact CG2-CG1 3.39Å; C173-I183 WeakPolarHBondContact O-CA 3.48Å; I174-I183 HydrophobicContact CD1-CD1 4.45Å; I174-I183 HydrophobicContact CG1-CD1 4.26Å; I174-I183 HydrophobicContact CG1-CG1 4.04Å
184	T	84.9	Confident	75.2	Confident	43 Å²	43	52.3 Å²	52.3	26%	0.264	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.5	-176.2	-173.9	0	0	0	0	110.7	V172 C173 I175 Q198	V172-T184 WeakPolarHBondContact CG2-O 3.48Å; C173-T184 HydrophobicContact CB-CG2 3.95Å; C173-T184 PolarHBondContact N-O 3.36Å; C173-T184 PolarHBondContact O-N 3.4Å; I175-T184 HydrophobicContact CD1-CG2 4.37Å; T184-Q198 HydrophobicContact CG2-CB 4.05Å
185	S	84	Confident	74.7	Confident	96 Å²	96	52.3 Å²	52.3	67%	0.671	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.7	172.8	-57.5	0	0	0	0	109.9	Q198	S185-Q198 PolarHBondContact O-NE2 3.05Å
186	C	84.1	Confident	74.4	Confident	14 Å²	14	52.4 Å²	52.4	10%	0.095	28%	0.279	C	S	.	.			trans	-138.7	176.9	174.4	61.1	0	0	0	0	110.7	P171 V172 C173 N190	P171-C186 WeakPolarHBondContact CG-O 3.17Å; V172-C186 VanDerWaalsContact C-SG 3.51Å; C173-C186 HydrophobicContact CB-CB 3.72Å; C173-C186 WeakPolarHBondContact CB-SG 2.77Å; C173-C186 PolarHBondContact N-SG 3.3Å; C173-C186 WeakPolarHBondContact SG-CB 3.35Å; C173-C186 CovalentContact SG-SG 2.04Å; C173-C186 PolarHBondContact SG-SG 2.91Å; C186-N190 HydrophobicContact CB-CB 4.34Å
187	T	83.1	Confident	74.6	Confident	72 Å²	72	50.6 Å²	50.6	44%	0.442	27%	0.274	S	S	.	.			trans	-106.1	163.4	174	80.8	0	0	0	0	110.4	P171 F189 N190	P171-T187 VanDerWaalsContact CG-C 3.45Å; T187-F189 PolarHBondContact O-N 2.83Å; T187-F189 PolarHBondContact OG1-N 3.03Å; T187-N190 WeakPolarHBondContact CB-OD1 3.02Å; T187-N190 PolarHBondContact N-OD1 3.42Å; T187-N190 PolarHBondContact O-N 3.18Å; T187-N190 PolarHBondContact OG1-N 2.98Å; T187-N190 PolarHBondContact OG1-OD1 3.46Å
188	L	80.6	Confident	75.1	Confident	99 Å²	99	53.8 Å²	53.8	52%	0.518	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.3	176.5	-70.8	171.9	0	0	0	111.4	K107 V109 P171	K107-L188 PolarHBondContact NZ-O 3.03Å; V109-L188 HydrophobicContact CB-CD2 4.38Å; V109-L188 HydrophobicContact CG1-CD2 4.42Å; P171-L188 HydrophobicContact CB-CD2 4.15Å; P171-L188 HydrophobicContact CG-CD2 3.94Å; P171-L188 HydrophobicContact CG-CG 3.97Å
189	F	78.7	Confident	76.1	Confident	192 Å²	192	50.1 Å²	50.1	84%	0.842	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.1	-175.1	-51.3	-67.5	0	0	0	114.3	T187 S191	T187-F189 PolarHBondContact O-N 2.83Å; T187-F189 PolarHBondContact OG1-N 3.03Å; F189-S191 PolarHBondContact O-N 3.21Å
190	N	76	Confident	76.8	Confident	20 Å²	20	47.2 Å²	47.2	11%	0.107	27%	0.266	C	S	.	.			trans	-59.5	127.6	175.1	-79	47.5	0	0	0	109.9	K107 C186 T187 S194 Q198	K107-N190 PolarHBondContact NZ-O 2.83Å; C186-N190 HydrophobicContact CB-CB 4.34Å; T187-N190 WeakPolarHBondContact CB-OD1 3.02Å; T187-N190 PolarHBondContact N-OD1 3.42Å; T187-N190 PolarHBondContact O-N 3.18Å; T187-N190 PolarHBondContact OG1-N 2.98Å; T187-N190 PolarHBondContact OG1-OD1 3.46Å; N190-S194 PolarHBondContact ND2-OG 3.23Å; N190-Q198 PolarHBondContact ND2-NE2 3.21Å
191	S	69.9	Low	77.1	Confident	49 Å²	49	45.5 Å²	45.5	34%	0.343	26%	0.255	S	S	.	.			trans	-69.4	162.6	168.9	68.9	0	0	0	0	110.6	F189 T193 S194 M195 D210	F189-S191 PolarHBondContact O-N 3.21Å; S191-T193 PolarHBondContact O-N 3.34Å; S191-S194 PolarHBondContact O-N 2.81Å; S191-S194 WeakPolarHBondContact OG-CB 3.44Å; S191-S194 PolarHBondContact OG-N 2.92Å; S191-M195 PolarHBondContact O-N 3.12Å; S191-D210 PolarHBondContact OG-O 2.99Å
192	Y	70	Confident	76.8	Confident	43 Å²	43	45.2 Å²	45.2	17%	0.169	25%	0.252	C	S	.	.	H	α-helix	trans	-53.7	-47.9	173.4	177.5	-137.6	0	0	0	111	Y129 P130 M195 L196 L226	Y129-Y192 AromaticContact CD1-CD2 3.79Å; Y129-Y192 HydrophobicContact CD1-CD2 3.79Å; Y129-Y192 AromaticContact CD1-CG 3.69Å; Y129-Y192 HydrophobicContact CD1-CG 3.69Å; Y129-Y192 AromaticContact CD2-CD2 3.97Å; Y129-Y192 HydrophobicContact CD2-CD2 3.97Å; Y129-Y192 HydrophobicContact CE1-CG 4.41Å; Y129-Y192 AromaticContact CG-CD2 3.39Å; Y129-Y192 HydrophobicContact CG-CD2 3.39Å; Y129-Y192 HydrophobicContact CG-CE2 4.02Å; Y129-Y192 AromaticContact CG-CG 3.81Å; Y129-Y192 HydrophobicContact CG-CG 3.81Å; P130-Y192 HydrophobicContact CB-CD1 4.46Å; P130-Y192 HydrophobicContact CB-CE1 3.9Å; Y192-M195 HydrophobicContact CD2-CE 3.53Å; Y192-M195 HydrophobicContact CE2-CE 3.89Å; Y192-M195 WeakPolarHBondContact O-CB 3.17Å; Y192-M195 PolarHBondContact O-N 3.33Å; Y192-L196 HydrophobicContact CD1-CD1 4.35Å; Y192-L196 HydrophobicContact CD2-CD1 4.44Å; Y192-L196 HydrophobicContact CD2-CG 4.18Å; Y192-L196 HydrophobicContact CE1-CD1 3.81Å; Y192-L196 HydrophobicContact CE2-CD1 3.9Å; Y192-L196 HydrophobicContact CE2-CD2 3.82Å; Y192-L196 HydrophobicContact CE2-CG 3.78Å; Y192-L196 WeakPolarHBondContact O-CG 3.49Å; Y192-L196 PolarHBondContact O-N 2.9Å; Y192-L226 HydrophobicContact CE1-CD1 4.12Å
193	T	66.5	Low	76.2	Confident	30 Å²	30	47.6 Å²	47.6	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-42.3	-178.5	-50.3	0	0	0	0	111.7	S191 M195 L196 C197 D210 T211 F212	S191-T193 PolarHBondContact O-N 3.34Å; T193-M195 PolarHBondContact O-N 3.04Å; T193-L196 WeakPolarHBondContact O-CB 3.4Å; T193-L196 PolarHBondContact O-N 2.86Å; T193-C197 PolarHBondContact O-N 2.71Å; T193-C197 PolarHBondContact O-SG 2.95Å; T193-D210 WeakPolarHBondContact CB-O 3.29Å; T193-D210 WeakPolarHBondContact CG2-O 3.19Å; T193-T211 VanDerWaalsContact CG2-CA 3.47Å; T193-F212 HydrophobicContact CG2-CD2 3.47Å; T193-F212 VanDerWaalsContact CG2-CD2 3.47Å; T193-F212 HydrophobicContact CG2-CE2 3.77Å
194	S	71.9	Confident	75.3	Confident	25 Å²	25	51 Å²	51	18%	0.175	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-39.3	173.2	176.3	0	0	0	0	112.3	N190 S191 C197 D210	N190-S194 PolarHBondContact ND2-OG 3.23Å; S191-S194 PolarHBondContact O-N 2.81Å; S191-S194 WeakPolarHBondContact OG-CB 3.44Å; S191-S194 PolarHBondContact OG-N 2.92Å; S194-C197 WeakPolarHBondContact O-CB 3.45Å; S194-C197 PolarHBondContact O-N 3.26Å; S194-D210 PolarHBondContact N-O 3.35Å
195	M	75.4	Confident	74.4	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-48	172.7	174.7	179.1	60.3	0	0	111.1	Y129 C173 I175 S191 Y192 T193 C197 Q198	Y129-M195 HydrophobicContact CD2-CE 3.64Å; Y129-M195 HydrophobicContact CE2-CE 4.14Å; Y129-M195 HydrophobicContact CG-CE 4.32Å; C173-M195 HydrophobicContact CB-CG 3.63Å; C173-M195 HydrophobicContact CB-SD 3.51Å; C173-M195 VanDerWaalsContact CB-SD 3.51Å; I175-M195 HydrophobicContact CD1-CG 4.25Å; I175-M195 WeakPolarHBondContact CD1-O 3.45Å; I175-M195 HydrophobicContact CG1-CG 3.99Å; S191-M195 PolarHBondContact O-N 3.12Å; Y192-M195 HydrophobicContact CD2-CE 3.53Å; Y192-M195 HydrophobicContact CE2-CE 3.89Å; Y192-M195 WeakPolarHBondContact O-CB 3.17Å; Y192-M195 PolarHBondContact O-N 3.33Å; T193-M195 PolarHBondContact O-N 3.04Å; M195-C197 VanDerWaalsContact C-N 3.26Å; M195-C197 PolarHBondContact O-N 2.83Å; M195-Q198 WeakPolarHBondContact O-CB 3.18Å; M195-Q198 PolarHBondContact O-N 3.49Å
196	L	73	Confident	73.4	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-37.9	177.6	-66.8	-176.3	0	0	0	112.6	I102 I175 Y192 T193 Q198 S199 L202 F212 L226	I102-L196 HydrophobicContact CG2-CD2 3.73Å; I175-L196 HydrophobicContact CG2-CD2 4.08Å; Y192-L196 HydrophobicContact CD1-CD1 4.35Å; Y192-L196 HydrophobicContact CD2-CD1 4.44Å; Y192-L196 HydrophobicContact CD2-CG 4.18Å; Y192-L196 HydrophobicContact CE1-CD1 3.81Å; Y192-L196 HydrophobicContact CE2-CD1 3.9Å; Y192-L196 HydrophobicContact CE2-CD2 3.82Å; Y192-L196 HydrophobicContact CE2-CG 3.78Å; Y192-L196 WeakPolarHBondContact O-CG 3.49Å; Y192-L196 PolarHBondContact O-N 2.9Å; T193-L196 WeakPolarHBondContact O-CB 3.4Å; T193-L196 PolarHBondContact O-N 2.86Å; L196-Q198 PolarHBondContact O-N 3.44Å; L196-Q198 VanDerWaalsContact O-N 3.1Å; L196-S199 WeakPolarHBondContact O-CB 3.29Å; L196-S199 PolarHBondContact O-N 3.33Å; L196-L202 HydrophobicContact CB-CD1 4.29Å; L196-L202 WeakPolarHBondContact O-CD1 3.32Å; L196-F212 HydrophobicContact CB-CE2 4.48Å; L196-F212 HydrophobicContact CD1-CE2 4.27Å; L196-L226 HydrophobicContact CD1-CD1 3.22Å
197	C	73.3	Confident	72.1	Confident	17 Å²	17	61.3 Å²	61.3	12%	0.115	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.9	176.5	-62.3	0	0	0	0	113.5	T193 S194 M195 S199 C205 C216	T193-C197 PolarHBondContact O-N 2.71Å; T193-C197 PolarHBondContact O-SG 2.95Å; S194-C197 WeakPolarHBondContact O-CB 3.45Å; S194-C197 PolarHBondContact O-N 3.26Å; M195-C197 VanDerWaalsContact C-N 3.26Å; M195-C197 PolarHBondContact O-N 2.83Å; C197-S199 VanDerWaalsContact C-N 3.35Å; C197-C205 PolarHBondContact O-SG 3.36Å; C197-C205 VanDerWaalsContact O-SG 3.38Å; C197-C216 WeakPolarHBondContact CB-SG 3.48Å; C197-C216 PolarHBondContact SG-SG 2.03Å
198	Q	76.8	Confident	70.8	Confident	74 Å²	74	61.4 Å²	61.4	35%	0.346	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.2	173.1	-62	175.7	-28.5	0	0	112.8	I175 T184 S185 N190 M195 L196	I175-Q198 HydrophobicContact CD1-CB 4.46Å; T184-Q198 HydrophobicContact CG2-CB 4.05Å; S185-Q198 PolarHBondContact O-NE2 3.05Å; N190-Q198 PolarHBondContact ND2-NE2 3.21Å; M195-Q198 WeakPolarHBondContact O-CB 3.18Å; M195-Q198 PolarHBondContact O-N 3.49Å; L196-Q198 PolarHBondContact O-N 3.44Å; L196-Q198 VanDerWaalsContact O-N 3.1Å
199	S	77.9	Confident	69.8	Low	4 Å²	4	57.2 Å²	57.2	3%	0.028	31%	0.313	C	S	.	.	S	Bend	trans	-67.3	139.3	-179.3	-172.1	0	0	0	0	111.1	E182 L196 C197 A201 L202	E182-S199 WeakPolarHBondContact OE2-CA 3.44Å; E182-S199 WeakPolarHBondContact OE2-CB 3.46Å; E182-S199 PolarHBondContact OE2-OG 2.76Å; L196-S199 WeakPolarHBondContact O-CB 3.29Å; L196-S199 PolarHBondContact O-N 3.33Å; C197-S199 VanDerWaalsContact C-N 3.35Å; S199-A201 PolarHBondContact O-N 2.97Å; S199-A201 WeakPolarHBondContact OG-CB 3.4Å; S199-A201 PolarHBondContact OG-N 2.96Å; S199-L202 PolarHBondContact O-N 2.65Å; S199-L202 VanDerWaalsContact O-N 3.08Å
200	S	76.8	Confident	68.8	Low	71 Å²	71	50.9 Å²	50.9	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.5	172.1	88.3	0	0	0	0	112.5	E182 L202 K219	E182-S200 WeakPolarHBondContact OE1-CB 3.39Å; E182-S200 PolarHBondContact OE1-N 3.39Å; E182-S200 PolarHBondContact OE1-OG 2.89Å; E182-S200 PolarHBondContact OE2-N 2.75Å; S200-L202 PolarHBondContact O-N 3.45Å; S200-K219 WeakPolarHBondContact O-CD 3.41Å; S200-K219 WeakPolarHBondContact O-CE 3.15Å; S200-K219 PolarHBondContact O-NZ 3.06Å
201	A	72.2	Confident	67.8	Low	1 Å²	1	52 Å²	52	1%	0.008	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14	172.4	0	0	0	0	0	113.8	I102 V177 S199 K219 F222	I102-A201 HydrophobicContact CD1-CB 4.21Å; I102-A201 HydrophobicContact CG1-CB 4.38Å; V177-A201 HydrophobicContact CG1-CB 4.12Å; S199-A201 PolarHBondContact O-N 2.97Å; S199-A201 WeakPolarHBondContact OG-CB 3.4Å; S199-A201 PolarHBondContact OG-N 2.96Å; A201-K219 VanDerWaalsContact O-CB 3.29Å; A201-K219 WeakPolarHBondContact O-CB 3.03Å; A201-K219 WeakPolarHBondContact O-CG 3.47Å; A201-K219 PolarHBondContact O-N 2.96Å; A201-F222 HydrophobicContact CB-CD1 3.52Å; A201-F222 HydrophobicContact CB-CD2 4.37Å; A201-F222 HydrophobicContact CB-CE1 3.34Å; A201-F222 HydrophobicContact CB-CE2 4.22Å; A201-F222 HydrophobicContact CB-CG 4.03Å; A201-F222 HydrophobicContact CB-CZ 3.71Å
202	L	70.5	Confident	67.3	Low	10 Å²	10	50.6 Å²	50.6	5%	0.052	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	151	176	-57.2	-174.9	0	0	0	110.5	I102 L196 S199 S200 F212 T217 C218	I102-L202 HydrophobicContact CD1-CD1 4.47Å; I102-L202 HydrophobicContact CD1-CD2 3.69Å; I102-L202 HydrophobicContact CD1-CG 4.04Å; L196-L202 HydrophobicContact CB-CD1 4.29Å; L196-L202 WeakPolarHBondContact O-CD1 3.32Å; S199-L202 PolarHBondContact O-N 2.65Å; S199-L202 VanDerWaalsContact O-N 3.08Å; S200-L202 PolarHBondContact O-N 3.45Å; L202-F212 HydrophobicContact CD1-CE1 3.73Å; L202-F212 HydrophobicContact CD1-CE2 4.5Å; L202-F212 HydrophobicContact CD1-CZ 3.51Å; L202-F212 HydrophobicContact CD2-CE1 3.93Å; L202-F212 HydrophobicContact CD2-CZ 4.21Å; L202-T217 CarbonylContact C-O 3.58Å; L202-T217 WeakPolarHBondContact CA-O 3.31Å; L202-C218 HydrophobicContact CD2-CB 4.08Å; L202-C218 WeakPolarHBondContact CD2-SG 3.21Å
203	L	69.3	Low	66.9	Low	82 Å²	82	53.7 Å²	53.7	43%	0.429	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	167.7	177.6	-75.4	177.3	0	0	0	110.9	C205 T217 K219	L203-C205 PolarHBondContact O-N 3.09Å; L203-T217 PolarHBondContact N-O 2.87Å; L203-T217 PolarHBondContact O-N 2.81Å; L203-T217 VanDerWaalsContact O-O 3.08Å; L203-T217 PolarHBondContact O-OG1 3.12Å; L203-T217 VanDerWaalsContact O-OG1 3.05Å; L203-K219 HydrophobicContact CB-CG 4.48Å; L203-K219 HydrophobicContact CD1-CD 4.29Å; L203-K219 HydrophobicContact CD1-CG 3.55Å; L203-K219 VanDerWaalsContact CD2-CE 3.46Å; L203-K219 HydrophobicContact CD2-CG 4.4Å; L203-K219 HydrophobicContact CG-CD 4.15Å; L203-K219 HydrophobicContact CG-CG 3.48Å; L203-K219 VanDerWaalsContact CG-CG 3.48Å
204	N	66.8	Low	66.7	Low	125 Å²	125	57.8 Å²	57.8	67%	0.668	32%	0.318	S	S	*	.			trans	58.5	12.5	173.7	-56.6	-40.3	0	0	0	115.8	S206 G215 T217	N204-S206 PolarHBondContact O-N 3.23Å; N204-G215 CarbonylContact C-O 3.55Å; N204-G215 VanDerWaalsContact C-O 3.25Å; N204-T217 PolarHBondContact ND2-OG1 3.12Å
205	C	65.1	Low	66.2	Low	42 Å²	42	57.7 Å²	57.7	28%	0.284	32%	0.32	S	S	.	.			trans	-51.7	108.5	173.8	-72.2	0	0	0	0	110.6	C197 L203 R207 C216	C197-C205 PolarHBondContact O-SG 3.36Å; C197-C205 VanDerWaalsContact O-SG 3.38Å; L203-C205 PolarHBondContact O-N 3.09Å; C205-R207 PolarHBondContact O-N 3.09Å; C205-C216 WeakPolarHBondContact CA-SG 3.42Å; C205-C216 HydrophobicContact CB-CB 4.25Å; C205-C216 WeakPolarHBondContact CB-SG 3.2Å; C205-C216 WeakPolarHBondContact SG-CB 3.31Å; C205-C216 CovalentContact SG-SG 2.03Å; C205-C216 PolarHBondContact SG-SG 3.04Å
206	S	63.5	Low	65.7	Low	67 Å²	67	57.9 Å²	57.9	47%	0.469	32%	0.322	S	S	.	.			trans	-55.7	142.3	175.2	-69.9	0	0	0	0	108.7	N204 G208 A209 K214	N204-S206 PolarHBondContact O-N 3.23Å; S206-G208 PolarHBondContact O-N 3.16Å; S206-A209 WeakPolarHBondContact O-CB 3.46Å; S206-A209 PolarHBondContact O-N 3.39Å; S206-K214 WeakPolarHBondContact CB-O 2.86Å
207	R	56.6	Low	65.5	Low	262 Å²	262	60.9 Å²	60.9	99%	0.989	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	114.2	-176.1	-156.5	-178	-151.6	-178.8	6.4	109.2	C205	C205-R207 PolarHBondContact O-N 3.09Å
208	G	56.8	Low	65.1	Low	74 Å²	74	61.7 Å²	61.7	76%	0.763	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	7	-174.8	0	0	0	0	0	115.3	S206 D210	S206-G208 PolarHBondContact O-N 3.16Å; G208-D210 PolarHBondContact O-N 2.93Å; G208-D210 VanDerWaalsContact O-N 3.14Å
209	A	59.7	Low	64.5	Low	11 Å²	11	61.7 Å²	61.7	9%	0.091	35%	0.345	C	S	.	.			trans	-61.9	115.1	167.5	0	0	0	0	0	109	S206 K214	S206-A209 WeakPolarHBondContact O-CB 3.46Å; S206-A209 PolarHBondContact O-N 3.39Å; A209-K214 HydrophobicContact CB-CB 3.93Å
210	D	57.9	Low	63.7	Low	59 Å²	59	70.5 Å²	70.5	32%	0.316	39%	0.385	S	S	.	.			trans	-105.6	-1	174.4	62.7	-13.6	0	0	0	111.6	S191 T193 S194 G208 K214	S191-D210 PolarHBondContact OG-O 2.99Å; T193-D210 WeakPolarHBondContact CB-O 3.29Å; T193-D210 WeakPolarHBondContact CG2-O 3.19Å; S194-D210 PolarHBondContact N-O 3.35Å; G208-D210 PolarHBondContact O-N 2.93Å; G208-D210 VanDerWaalsContact O-N 3.14Å; D210-K214 WeakPolarHBondContact OD1-CD 3.47Å; D210-K214 VanDerWaalsContact OD1-CE 3.31Å; D210-K214 WeakPolarHBondContact OD1-CE 3.36Å; D210-K214 IonicContact OD1-NZ 3.9Å; D210-K214 PolarHBondContact OD1-NZ 2.92Å; D210-K214 IonicContact OD2-NZ 3.32Å; D210-K214 PolarHBondContact OD2-NZ 2.95Å
211	T	53.9	Low	62.8	Low	44 Å²	44	68.3 Å²	68.3	27%	0.27	37%	0.374	S	S	.	.	S	Bend	trans	-133	153.2	173.1	70	0	0	0	0	111	T193 D213 K214	T193-T211 VanDerWaalsContact CG2-CA 3.47Å; T211-D213 PolarHBondContact O-N 3.48Å; T211-K214 HydrophobicContact CG2-CD 4.5Å; T211-K214 PolarHBondContact O-N 3.13Å; T211-K214 VanDerWaalsContact O-N 3.12Å; T211-K214 WeakPolarHBondContact OG1-CD 3.38Å; T211-K214 VanDerWaalsContact OG1-CG 3.25Å; T211-K214 WeakPolarHBondContact OG1-CG 3.37Å; T211-K214 PolarHBondContact OG1-N 3.14Å
212	F	59.2	Low	61.9	Low	19 Å²	19	70.4 Å²	70.4	8%	0.083	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-58.3	-37.7	171.5	-80	-92.7	0	0	0	111	T193 L196 L202 K214 G215 C216 L226	T193-F212 HydrophobicContact CG2-CD2 3.47Å; T193-F212 VanDerWaalsContact CG2-CD2 3.47Å; T193-F212 HydrophobicContact CG2-CE2 3.77Å; L196-F212 HydrophobicContact CB-CE2 4.48Å; L196-F212 HydrophobicContact CD1-CE2 4.27Å; L202-F212 HydrophobicContact CD1-CE1 3.73Å; L202-F212 HydrophobicContact CD1-CE2 4.5Å; L202-F212 HydrophobicContact CD1-CZ 3.51Å; L202-F212 HydrophobicContact CD2-CE1 3.93Å; L202-F212 HydrophobicContact CD2-CZ 4.21Å; F212-K214 PolarHBondContact O-N 2.79Å; F212-K214 VanDerWaalsContact O-N 3.16Å; F212-G215 PolarHBondContact O-N 3.1Å; F212-C216 HydrophobicContact CD1-CB 4.12Å; F212-C216 WeakPolarHBondContact CD1-O 2.94Å; F212-C216 HydrophobicContact CE1-CB 4.38Å; F212-C216 PolarHBondContact O-N 3.19Å; F212-L226 HydrophobicContact CD2-CB 3.81Å; F212-L226 HydrophobicContact CD2-CD1 4.42Å; F212-L226 HydrophobicContact CD2-CD2 4.14Å; F212-L226 HydrophobicContact CD2-CG 4.34Å; F212-L226 HydrophobicContact CE1-CB 4.32Å; F212-L226 HydrophobicContact CE2-CB 3.49Å; F212-L226 VanDerWaalsContact CE2-CB 3.49Å; F212-L226 HydrophobicContact CE2-CD1 3.74Å; F212-L226 HydrophobicContact CE2-CD2 4.27Å; F212-L226 HydrophobicContact CE2-CG 4.03Å; F212-L226 HydrophobicContact CG-CB 4.4Å; F212-L226 HydrophobicContact CZ-CB 3.75Å; F212-L226 HydrophobicContact CZ-CD1 4.42Å
213	D	61.1	Low	61	Low	107 Å²	107	71.6 Å²	71.6	57%	0.572	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-60.5	-27.5	177.6	-69	-46.5	0	0	0	114.5	T211 G215 R230	T211-D213 PolarHBondContact O-N 3.48Å; D213-G215 VanDerWaalsContact C-N 3.29Å; D213-R230 VanDerWaalsContact CA-NH2 3.25Å; D213-R230 PolarHBondContact O-NH2 3.33Å; D213-R230 IonicContact OD1-CZ 2.67Å; D213-R230 IonicContact OD1-NE 3.89Å; D213-R230 PolarHBondContact OD1-NE 3.25Å; D213-R230 IonicContact OD1-NH2 2.91Å; D213-R230 PolarHBondContact OD1-NH2 3.41Å
214	K	62.5	Low	60.2	Low	117 Å²	117	68.5 Å²	68.5	51%	0.509	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-85.6	2.6	177.4	-71.8	170.3	-176.3	-178.3	0	113.4	S206 A209 D210 T211 F212	S206-K214 WeakPolarHBondContact CB-O 2.86Å; A209-K214 HydrophobicContact CB-CB 3.93Å; D210-K214 WeakPolarHBondContact OD1-CD 3.47Å; D210-K214 VanDerWaalsContact OD1-CE 3.31Å; D210-K214 WeakPolarHBondContact OD1-CE 3.36Å; D210-K214 IonicContact OD1-NZ 3.9Å; D210-K214 PolarHBondContact OD1-NZ 2.92Å; D210-K214 IonicContact OD2-NZ 3.32Å; D210-K214 PolarHBondContact OD2-NZ 2.95Å; T211-K214 HydrophobicContact CG2-CD 4.5Å; T211-K214 PolarHBondContact O-N 3.13Å; T211-K214 VanDerWaalsContact O-N 3.12Å; T211-K214 WeakPolarHBondContact OG1-CD 3.38Å; T211-K214 VanDerWaalsContact OG1-CG 3.25Å; T211-K214 WeakPolarHBondContact OG1-CG 3.37Å; T211-K214 PolarHBondContact OG1-N 3.14Å; F212-K214 PolarHBondContact O-N 2.79Å; F212-K214 VanDerWaalsContact O-N 3.16Å
215	G	61.3	Low	59.3	Low	22 Å²	22	66.2 Å²	66.2	23%	0.227	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	129.1	15	159.7	0	0	0	0	0	117.5	N204 F212 D213	N204-G215 CarbonylContact C-O 3.55Å; N204-G215 VanDerWaalsContact C-O 3.25Å; F212-G215 PolarHBondContact O-N 3.1Å; D213-G215 VanDerWaalsContact C-N 3.29Å
216	C	64.8	Low	58.6	Low	6 Å²	6	66.4 Å²	66.4	4%	0.041	38%	0.376	C	S	.	.			trans	-83.8	136.8	171.1	-70	0	0	0	0	111.5	C197 C205 F212	C197-C216 WeakPolarHBondContact CB-SG 3.48Å; C197-C216 PolarHBondContact SG-SG 2.03Å; C205-C216 WeakPolarHBondContact CA-SG 3.42Å; C205-C216 HydrophobicContact CB-CB 4.25Å; C205-C216 WeakPolarHBondContact CB-SG 3.2Å; C205-C216 WeakPolarHBondContact SG-CB 3.31Å; C205-C216 CovalentContact SG-SG 2.03Å; C205-C216 PolarHBondContact SG-SG 3.04Å; F212-C216 HydrophobicContact CD1-CB 4.12Å; F212-C216 WeakPolarHBondContact CD1-O 2.94Å; F212-C216 HydrophobicContact CE1-CB 4.38Å; F212-C216 PolarHBondContact O-N 3.19Å
217	T	69.8	Low	57.9	Low	64 Å²	64	64.3 Å²	64.3	39%	0.393	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.1	176.8	55.1	0	0	0	0	110.1	L202 L203 N204	L202-T217 CarbonylContact C-O 3.58Å; L202-T217 WeakPolarHBondContact CA-O 3.31Å; L203-T217 PolarHBondContact N-O 2.87Å; L203-T217 PolarHBondContact O-N 2.81Å; L203-T217 VanDerWaalsContact O-O 3.08Å; L203-T217 PolarHBondContact O-OG1 3.12Å; L203-T217 VanDerWaalsContact O-OG1 3.05Å; N204-T217 PolarHBondContact ND2-OG1 3.12Å
218	C	64.9	Low	57.4	Low	34 Å²	34	57.9 Å²	57.9	23%	0.23	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.3	179.1	-57.4	0	0	0	0	111.2	L202 F222 C227	L202-C218 HydrophobicContact CD2-CB 4.08Å; L202-C218 WeakPolarHBondContact CD2-SG 3.21Å; C218-F222 HydrophobicContact CB-CB 4.26Å; C218-C227 HydrophobicContact CB-CB 3.99Å; C218-C227 WeakPolarHBondContact CB-SG 3.22Å; C218-C227 VanDerWaalsContact SG-CA 3.59Å; C218-C227 WeakPolarHBondContact SG-CB 3.42Å; C218-C227 CovalentContact SG-SG 2.03Å; C218-C227 PolarHBondContact SG-SG 2.95Å
219	K	63.6	Low	56.6	Low	74 Å²	74	61.2 Å²	61.2	32%	0.322	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-61.8	152.8	167.1	-80.4	-173.4	174.3	171.3	0	109.8	S200 A201 L203 G221 F222	S200-K219 WeakPolarHBondContact O-CD 3.41Å; S200-K219 WeakPolarHBondContact O-CE 3.15Å; S200-K219 PolarHBondContact O-NZ 3.06Å; A201-K219 VanDerWaalsContact O-CB 3.29Å; A201-K219 WeakPolarHBondContact O-CB 3.03Å; A201-K219 WeakPolarHBondContact O-CG 3.47Å; A201-K219 PolarHBondContact O-N 2.96Å; L203-K219 HydrophobicContact CB-CG 4.48Å; L203-K219 HydrophobicContact CD1-CD 4.29Å; L203-K219 HydrophobicContact CD1-CG 3.55Å; L203-K219 VanDerWaalsContact CD2-CE 3.46Å; L203-K219 HydrophobicContact CD2-CG 4.4Å; L203-K219 HydrophobicContact CG-CD 4.15Å; L203-K219 HydrophobicContact CG-CG 3.48Å; L203-K219 VanDerWaalsContact CG-CG 3.48Å; K219-G221 PolarHBondContact O-N 3.05Å; K219-F222 HydrophobicContact CB-CD2 3.64Å; K219-F222 HydrophobicContact CB-CE2 4.12Å; K219-F222 PolarHBondContact O-N 3.24Å
220	E	62.1	Low	55.8	Low	189 Å²	189	67.7 Å²	67.7	88%	0.883	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	135.9	168.6	-171.2	177.5	-175.8	0	0	109.7
221	G	57.1	Low	54.6	Low	25 Å²	25	67 Å²	67	26%	0.258	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	25.1	-173.3	0	0	0	0	0	113.8	E98 G99 S100 K219	E98-G221 WeakPolarHBondContact O-CA 3.38Å; G99-G221 CarbonylContact C-O 3.22Å; G99-G221 VanDerWaalsContact CA-CA 3.45Å; G99-G221 WeakPolarHBondContact CA-O 3.32Å; S100-G221 PolarHBondContact N-O 3.44Å; K219-G221 PolarHBondContact O-N 3.05Å
222	F	54.5	Low	53.5	Low	46 Å²	46	73.9 Å²	73.9	20%	0.202	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132	166.3	-76.3	-97.6	0	0	0	111.8	S100 I102 V177 A201 C218 K219	S100-F222 WeakPolarHBondContact O-CA 3.49Å; S100-F222 VanDerWaalsContact O-CD1 3.29Å; S100-F222 WeakPolarHBondContact O-CD1 3.31Å; I102-F222 HydrophobicContact CG1-CD1 4.43Å; V177-F222 HydrophobicContact CB-CE1 4.15Å; V177-F222 HydrophobicContact CG1-CE1 4.21Å; V177-F222 HydrophobicContact CG2-CE1 4.29Å; A201-F222 HydrophobicContact CB-CD1 3.52Å; A201-F222 HydrophobicContact CB-CD2 4.37Å; A201-F222 HydrophobicContact CB-CE1 3.34Å; A201-F222 HydrophobicContact CB-CE2 4.22Å; A201-F222 HydrophobicContact CB-CG 4.03Å; A201-F222 HydrophobicContact CB-CZ 3.71Å; C218-F222 HydrophobicContact CB-CB 4.26Å; K219-F222 HydrophobicContact CB-CD2 3.64Å; K219-F222 HydrophobicContact CB-CE2 4.12Å; K219-F222 PolarHBondContact O-N 3.24Å
223	T	50	Low	52.1	Low	34 Å²	34	81.3 Å²	81.3	21%	0.209	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.1	-176.8	63.1	0	0	0	0	111.8	S100 R101	S100-T223 PolarHBondContact O-N 2.85Å; R101-T223 VanDerWaalsContact CA-O 3.31Å; R101-T223 WeakPolarHBondContact CA-O 3.12Å
224	G	52.4	Low	50.6	Low	18 Å²	18	82.6 Å²	82.6	19%	0.186	45%	0.445	C	S	.	.			trans	173.6	163.2	-179.5	0	0	0	0	0	111.2	L226 C227 L228	G224-L226 PolarHBondContact O-N 2.89Å; G224-L226 VanDerWaalsContact O-N 3.12Å; G224-C227 CarbonylContact O-C 3.52Å; G224-C227 WeakPolarHBondContact O-CA 3.14Å; G224-C227 WeakPolarHBondContact O-CB 3.49Å; G224-C227 PolarHBondContact O-N 2.82Å; G224-L228 WeakPolarHBondContact O-CG 3.02Å; G224-L228 PolarHBondContact O-N 3.34Å
225	A	49.1	Very low	49	Very low	77 Å²	77	81.5 Å²	81.5	64%	0.636	45%	0.452	S	S	*	.	H	α-helix	trans	-51	-41.1	-177.4	0	0	0	0	0	112.5	L228 E229	A225-L228 PolarHBondContact O-N 3.3Å; A225-E229 WeakPolarHBondContact O-CG 3.14Å; A225-E229 PolarHBondContact O-N 3.46Å
226	L	50	Low	47.3	Very low	46 Å²	46	86.2 Å²	86.2	24%	0.241	48%	0.481	C	S	.	.	H	α-helix	trans	-73.4	-25.1	178.2	-63.1	164	0	0	0	113.8	Y192 L196 F212 G224	Y192-L226 HydrophobicContact CE1-CD1 4.12Å; L196-L226 HydrophobicContact CD1-CD1 3.22Å; F212-L226 HydrophobicContact CD2-CB 3.81Å; F212-L226 HydrophobicContact CD2-CD1 4.42Å; F212-L226 HydrophobicContact CD2-CD2 4.14Å; F212-L226 HydrophobicContact CD2-CG 4.34Å; F212-L226 HydrophobicContact CE1-CB 4.32Å; F212-L226 HydrophobicContact CE2-CB 3.49Å; F212-L226 VanDerWaalsContact CE2-CB 3.49Å; F212-L226 HydrophobicContact CE2-CD1 3.74Å; F212-L226 HydrophobicContact CE2-CD2 4.27Å; F212-L226 HydrophobicContact CE2-CG 4.03Å; F212-L226 HydrophobicContact CG-CB 4.4Å; F212-L226 HydrophobicContact CZ-CB 3.75Å; F212-L226 HydrophobicContact CZ-CD1 4.42Å; G224-L226 PolarHBondContact O-N 2.89Å; G224-L226 VanDerWaalsContact O-N 3.12Å
227	C	48.1	Very low	45.7	Very low	23 Å²	23	96.9 Å²	96.9	16%	0.155	54%	0.536	C	S	.	.	H	α-helix	trans	-77.9	-37.9	170.7	-59.5	0	0	0	0	111.3	C218 G224 R230 G231	C218-C227 HydrophobicContact CB-CB 3.99Å; C218-C227 WeakPolarHBondContact CB-SG 3.22Å; C218-C227 VanDerWaalsContact SG-CA 3.59Å; C218-C227 WeakPolarHBondContact SG-CB 3.42Å; C218-C227 CovalentContact SG-SG 2.03Å; C218-C227 PolarHBondContact SG-SG 2.95Å; G224-C227 CarbonylContact O-C 3.52Å; G224-C227 WeakPolarHBondContact O-CA 3.14Å; G224-C227 WeakPolarHBondContact O-CB 3.49Å; G224-C227 PolarHBondContact O-N 2.82Å; C227-R230 PolarHBondContact O-N 3.02Å; C227-G231 PolarHBondContact O-N 3.45Å
228	L	46	Very low	44.5	Very low	126 Å²	126	98.5 Å²	98.5	66%	0.66	54%	0.543	S	S	*	.	H	α-helix	trans	-72.4	-29.1	-177.3	-70.4	172.2	0	0	0	112.3	G224 A225 R230 G231	G224-L228 WeakPolarHBondContact O-CG 3.02Å; G224-L228 PolarHBondContact O-N 3.34Å; A225-L228 PolarHBondContact O-N 3.3Å; L228-R230 PolarHBondContact O-N 3.3Å; L228-G231 PolarHBondContact O-N 3.23Å; L228-G231 VanDerWaalsContact O-N 3.12Å
229	E	41.7	Very low	43.4	Very low	145 Å²	145	101.9 Å²	101.9	68%	0.678	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-14.7	174.2	-82.7	177.1	179.9	0	0	113.7	A225	A225-E229 WeakPolarHBondContact O-CG 3.14Å; A225-E229 PolarHBondContact O-N 3.46Å
230	R	41.9	Very low	42.3	Very low	146 Å²	146	103.4 Å²	103.4	55%	0.551	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	15.2	172.9	-74.2	-170.8	171.2	-154.4	-6.4	115.4	D213 C227 L228 E232	D213-R230 VanDerWaalsContact CA-NH2 3.25Å; D213-R230 PolarHBondContact O-NH2 3.33Å; D213-R230 IonicContact OD1-CZ 2.67Å; D213-R230 IonicContact OD1-NE 3.89Å; D213-R230 PolarHBondContact OD1-NE 3.25Å; D213-R230 IonicContact OD1-NH2 2.91Å; D213-R230 PolarHBondContact OD1-NH2 3.41Å; C227-R230 PolarHBondContact O-N 3.02Å; L228-R230 PolarHBondContact O-N 3.3Å; R230-E232 PolarHBondContact O-N 3.42Å; R230-E232 VanDerWaalsContact O-N 3.12Å
231	G	32.4	Very low	41.1	Very low	44 Å²	44	98.4 Å²	98.4	45%	0.454	55%	0.554	S	S	.	*			trans	-66.2	-9.3	-178.7	0	0	0	0	0	115.6	C227 L228 Q233	C227-G231 PolarHBondContact O-N 3.45Å; L228-G231 PolarHBondContact O-N 3.23Å; L228-G231 VanDerWaalsContact O-N 3.12Å; G231-Q233 VanDerWaalsContact C-N 3.25Å; G231-Q233 PolarHBondContact O-N 3.35Å
232	E	32.1	Very low	40.1	Very low	190 Å²	190	103 Å²	103	89%	0.888	57%	0.573	S	S	*	*			trans	-81	66.7	169.9	-71.3	-169.5	160	0	0	111.3	R230	R230-E232 PolarHBondContact O-N 3.42Å; R230-E232 VanDerWaalsContact O-N 3.12Å
233	Q	29.3	Very low	39.1	Very low	175 Å²	175	106.8 Å²	106.8	82%	0.818	60%	0.598	S	S	*	*			trans	-165	61.4	145.1	-73.1	-148.8	-7.9	0	0	109.2	G231 S235	G231-Q233 VanDerWaalsContact C-N 3.25Å; G231-Q233 PolarHBondContact O-N 3.35Å; Q233-S235 VanDerWaalsContact C-N 3.33Å; Q233-S235 PolarHBondContact O-N 2.77Å
234	V	30.3	Very low	38.4	Very low	133 Å²	133	112 Å²	112	81%	0.806	63%	0.625	S	S	*	*			trans	-79.9	95.4	155.5	-175.3	0	0	0	0	105.7	S236	V234-S236 PolarHBondContact O-N 3.24Å
235	S	28	Very low	37.3	Very low	94 Å²	94	119.2 Å²	119.2	66%	0.657	66%	0.659	S	S	*	*			trans	-55.6	103.3	176.9	-55.1	0	0	0	0	110.1	Q233 I237	Q233-S235 VanDerWaalsContact C-N 3.33Å; Q233-S235 PolarHBondContact O-N 2.77Å; S235-I237 PolarHBondContact O-N 3.43Å
236	S	26.5	Very low	36.3	Very low	121 Å²	121	122.8 Å²	122.8	85%	0.846	66%	0.661	S	S	*	*			trans	-66.4	111.3	160	49.8	0	0	0	0	108.4	V234	V234-S236 PolarHBondContact O-N 3.24Å
237	I	29.6	Very low	35.1	Very low	230 Å²	230	129.7 Å²	129.7	100%	1.179	70%	0.699	S	S	*	*			trans	-117.3	0	157.9	-60.3	178.4	0	0	0	106.5	S235	S235-I237 PolarHBondContact O-N 3.43Å

Retrieved 237 of 237 residues in 337.5 ms (Link to these results)

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