A0A5K4F6Z2_SCHMA Loading...

O-methyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F6Z2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	39.6	Very low	237 Å²	237	137.6 Å²	137.6	100%	1.167	69%	0.694	S	S	*	*				0	90.9	0	-79.8	177.8	-83.5	0	0	107.3	T3	M1-T3 PolarHBondContact O-N 2.71Å
2	I	34.3	Very low	39.6	Very low	146 Å²	146	133.3 Å²	133.3	75%	0.749	67%	0.673	S	S	*	*			trans	-81.5	115.4	169.5	-61.6	171.9	0	0	0	104.1	N6	I2-N6 HydrophobicContact CG2-CB 3.91Å
3	T	34.8	Very low	39.2	Very low	91 Å²	91	131.8 Å²	131.8	56%	0.558	67%	0.667	S	S	*	*			trans	-60.1	143.9	-177	48.1	0	0	0	0	109.5	M1 E5 N6	M1-T3 PolarHBondContact O-N 2.71Å; T3-E5 PolarHBondContact O-N 2.99Å; T3-N6 PolarHBondContact O-N 2.72Å
4	T	47.5	Very low	39	Very low	110 Å²	110	127.9 Å²	127.9	68%	0.675	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-16.9	-177.1	31.2	0	0	0	0	114.1	N6 Y8	T4-N6 PolarHBondContact O-N 2.69Å; T4-Y8 WeakPolarHBondContact O-CD2 3.31Å
5	E	43.1	Very low	38.8	Very low	152 Å²	152	128.5 Å²	128.5	71%	0.71	65%	0.654	S	S	*	*	H	α-helix	trans	-67.6	-28.9	175.7	-71	-179.8	156.1	0	0	113.9	T3 Q7 Y8	T3-E5 PolarHBondContact O-N 2.99Å; E5-Q7 PolarHBondContact O-N 3.2Å; E5-Y8 PolarHBondContact O-N 3.33Å
6	N	43.5	Very low	38.2	Very low	96 Å²	96	126.8 Å²	126.8	51%	0.513	65%	0.646	S	S	.	*	H	α-helix	trans	-82.3	-11.5	-177.2	-110.7	-13.9	0	0	0	114.4	I2 T3 T4	I2-N6 HydrophobicContact CG2-CB 3.91Å; T3-N6 PolarHBondContact O-N 2.72Å; T4-N6 PolarHBondContact O-N 2.69Å
7	Q	42.7	Very low	38.1	Very low	143 Å²	143	126.6 Å²	126.6	67%	0.668	65%	0.645	S	S	*	*	H	α-helix	trans	-81	-24.3	172.1	-79.6	-173.3	-19.7	0	0	112.6	E5	E5-Q7 PolarHBondContact O-N 3.2Å
8	Y	37.9	Very low	37.7	Very low	167 Å²	167	124.9 Å²	124.9	66%	0.655	64%	0.642	S	S	*	*	H	α-helix	trans	-75.1	-34	178.5	-77	-81.5	0	0	0	112.6	T4 E5 I10 L11 I12	T4-Y8 WeakPolarHBondContact O-CD2 3.31Å; E5-Y8 PolarHBondContact O-N 3.33Å; Y8-I10 PolarHBondContact O-N 3.31Å; Y8-L11 PolarHBondContact O-N 2.81Å; Y8-I12 WeakPolarHBondContact O-CD1 3.34Å; Y8-I12 VanDerWaalsContact O-CG1 3.23Å; Y8-I12 WeakPolarHBondContact O-CG1 3.5Å; Y8-I12 PolarHBondContact O-N 3.05Å
9	L	38.5	Very low	37.1	Very low	118 Å²	118	127.1 Å²	127.1	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-68.3	-33.6	178.5	-105.4	99.3	0	0	0	113.6	L11	L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.45Å
10	I	41.8	Very low	36.8	Very low	129 Å²	129	127.9 Å²	127.9	66%	0.662	65%	0.651	S	S	*	*	H	α-helix	trans	-72.7	-26.6	-177.9	-62.5	175.1	0	0	0	111.5	Y8	Y8-I10 PolarHBondContact O-N 3.31Å
11	L	37.4	Very low	36.5	Very low	125 Å²	125	127.2 Å²	127.2	65%	0.654	65%	0.653	S	S	*	*	H	α-helix	trans	-86.7	-19.2	179.3	-72.9	168.3	0	0	0	114	Y8 L9	Y8-L11 PolarHBondContact O-N 2.81Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.45Å
12	I	38.9	Very low	36.2	Very low	86 Å²	86	121.6 Å²	121.6	44%	0.441	63%	0.628	S	S	.	*	H	α-helix	trans	-84.3	-27.5	-177.3	-65.6	166.8	0	0	0	112.1	Y8 Q15 L16	Y8-I12 WeakPolarHBondContact O-CD1 3.34Å; Y8-I12 VanDerWaalsContact O-CG1 3.23Å; Y8-I12 WeakPolarHBondContact O-CG1 3.5Å; Y8-I12 PolarHBondContact O-N 3.05Å; I12-Q15 PolarHBondContact O-N 3.39Å; I12-L16 HydrophobicContact CG2-CD1 3.63Å; I12-L16 PolarHBondContact O-N 2.61Å
13	L	34.3	Very low	36.1	Very low	114 Å²	114	122.6 Å²	122.6	60%	0.597	63%	0.634	S	S	*	*	H	α-helix	trans	-61.3	-43.5	-178.2	-86.6	156.3	0	0	0	114.2	Q15 I17	L13-Q15 PolarHBondContact O-N 3.22Å; L13-I17 WeakPolarHBondContact O-CD1 3.46Å; L13-I17 WeakPolarHBondContact O-CG1 3.24Å; L13-I17 PolarHBondContact O-N 3.02Å
14	P	37.2	Very low	36	Very low	77 Å²	77	124.2 Å²	124.2	50%	0.5	64%	0.644	S	S	.	*	H	α-helix	trans	-67	-37.2	176.4	-20.6	32.7	0	0	0	112.8	I17 T18	P14-I17 PolarHBondContact O-N 3.48Å; P14-T18 PolarHBondContact O-N 3.46Å; P14-T18 PolarHBondContact O-OG1 2.99Å
15	Q	34.8	Very low	35.1	Very low	136 Å²	136	123.9 Å²	123.9	64%	0.636	65%	0.646	S	S	*	*	H	α-helix	trans	-74.8	-27.9	-177.4	-70.6	-172.5	-10.5	0	0	113.3	I12 L13 K19	I12-Q15 PolarHBondContact O-N 3.39Å; L13-Q15 PolarHBondContact O-N 3.22Å; Q15-K19 PolarHBondContact O-N 2.87Å
16	L	30.3	Very low	34.8	Very low	102 Å²	102	126 Å²	126	53%	0.534	65%	0.653	S	S	.	*	H	α-helix	trans	-72.8	-34.3	172.4	-117.3	94.7	0	0	0	112.1	I12 T18 K19 I20	I12-L16 HydrophobicContact CG2-CD1 3.63Å; I12-L16 PolarHBondContact O-N 2.61Å; L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 2.65Å; L16-K19 PolarHBondContact O-N 2.85Å; L16-I20 PolarHBondContact O-N 2.81Å
17	I	36.1	Very low	34.4	Very low	123 Å²	123	131.8 Å²	131.8	63%	0.631	67%	0.674	S	S	*	*	H	α-helix	trans	-67.2	-33.4	177.1	-66.5	167.8	0	0	0	110.8	L13 P14	L13-I17 WeakPolarHBondContact O-CD1 3.46Å; L13-I17 WeakPolarHBondContact O-CG1 3.24Å; L13-I17 PolarHBondContact O-N 3.02Å; P14-I17 PolarHBondContact O-N 3.48Å
18	T	30.7	Very low	34.2	Very low	96 Å²	96	128.4 Å²	128.4	59%	0.589	67%	0.666	S	S	*	*	H	α-helix	trans	-80.3	-21.1	176.8	-29.4	0	0	0	0	113.7	P14 L16 T21	P14-T18 PolarHBondContact O-N 3.46Å; P14-T18 PolarHBondContact O-OG1 2.99Å; L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 2.65Å; T18-T21 PolarHBondContact O-OG1 3.11Å
19	K	27	Very low	34.4	Very low	166 Å²	166	126.7 Å²	126.7	72%	0.722	67%	0.672	S	S	*	*	H	α-helix	trans	-86.8	-10.9	-179.9	-88.2	-174.8	173.9	-178.3	0	114.8	Q15 L16	Q15-K19 PolarHBondContact O-N 2.87Å; L16-K19 PolarHBondContact O-N 2.85Å
20	I	31	Very low	34.8	Very low	143 Å²	143	122.7 Å²	122.7	73%	0.733	65%	0.653	S	S	*	*	S	Bend	trans	-86.6	-12.8	176.6	-66.2	172.6	0	0	0	111.7	L16	L16-I20 PolarHBondContact O-N 2.81Å
21	T	30.7	Very low	35.5	Very low	114 Å²	114	124.3 Å²	124.3	70%	0.699	66%	0.658	S	S	*	*	S	Bend	trans	-92.3	6.5	175.8	38.5	0	0	0	0	114.3	T18	T18-T21 PolarHBondContact O-OG1 3.11Å
22	D	28.4	Very low	36.2	Very low	119 Å²	119	124.3 Å²	124.3	64%	0.636	65%	0.65	S	S	*	*			trans	-113.2	66.8	-169	-127.7	0.8	0	0	0	112.8
23	L	32.4	Very low	37.1	Very low	168 Å²	168	121.4 Å²	121.4	88%	0.88	64%	0.641	S	S	*	*	S	Bend	trans	-142.7	16.5	163.7	-95.7	-178.6	0	0	0	116.5
24	T	31.1	Very low	38.8	Very low	125 Å²	125	118.9 Å²	118.9	77%	0.767	63%	0.633	S	S	*	*			trans	-137.8	65.2	167.2	57.7	0	0	0	0	111.9	F26	T24-F26 PolarHBondContact O-N 3.02Å; T24-F26 VanDerWaalsContact O-N 3.13Å
25	S	29.8	Very low	40.4	Very low	103 Å²	103	120.9 Å²	120.9	72%	0.72	64%	0.644	S	S	*	*			trans	-83	57.3	169.1	57.6	0	0	0	0	111.9	K27	S25-K27 PolarHBondContact O-N 3.04Å
26	F	36.5	Very low	42.3	Very low	196 Å²	196	119.8 Å²	119.8	86%	0.86	64%	0.639	S	S	*	*			trans	-83.2	102.9	160.7	-89.6	-84.4	0	0	0	108.8	T24 S28	T24-F26 PolarHBondContact O-N 3.02Å; T24-F26 VanDerWaalsContact O-N 3.13Å; F26-S28 VanDerWaalsContact C-N 3.26Å; F26-S28 PolarHBondContact O-N 2.91Å
27	K	34.3	Very low	44.7	Very low	217 Å²	217	118.8 Å²	118.8	94%	0.943	63%	0.634	S	S	*	*			trans	-62.9	82.1	172.4	-70.5	177.2	177	175.4	0	110.4	S25	S25-K27 PolarHBondContact O-N 3.04Å
28	S	39.8	Very low	46.9	Very low	72 Å²	72	114.5 Å²	114.5	50%	0.503	62%	0.617	S	S	.	*			trans	-113	123.7	154.1	63.9	0	0	0	0	107.4	F26 T30	F26-S28 VanDerWaalsContact C-N 3.26Å; F26-S28 PolarHBondContact O-N 2.91Å; S28-T30 PolarHBondContact O-N 3.27Å
29	V	40.7	Very low	49.5	Very low	131 Å²	131	115.5 Å²	115.5	79%	0.794	62%	0.619	S	S	*	*			trans	-51.1	104.6	152.7	175.6	0	0	0	0	104.4
30	T	48	Very low	52.6	Low	35 Å²	35	113.2 Å²	113.2	22%	0.215	61%	0.609	C	S	.	*	B	Isolated β-bridge	trans	-66.3	168	175.7	63.6	0	0	0	0	107.3	S28 Y32 G33	S28-T30 PolarHBondContact O-N 3.27Å; T30-Y32 PolarHBondContact O-N 2.94Å; T30-Y32 PolarHBondContact OG1-N 3.07Å; T30-G33 PolarHBondContact N-O 3.36Å; T30-G33 PolarHBondContact O-N 3.19Å; T30-G33 PolarHBondContact OG1-O 2.77Å
31	E	55.1	Low	55.4	Low	162 Å²	162	109.4 Å²	109.4	76%	0.757	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46	-21	167.2	-174.9	177.1	-165.7	0	0	112.7
32	Y	52.9	Low	58.2	Low	126 Å²	126	108.9 Å²	108.9	49%	0.494	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.5	6.6	-175.4	-52	-75.1	0	0	0	115.1	T30 L41	T30-Y32 PolarHBondContact O-N 2.94Å; T30-Y32 PolarHBondContact OG1-N 3.07Å; Y32-L41 HydrophobicContact CD1-CD2 3.33Å; Y32-L41 HydrophobicContact CD2-CD2 4.24Å; Y32-L41 HydrophobicContact CE1-CD2 3.84Å; Y32-L41 HydrophobicContact CG-CD2 3.57Å
33	G	58.5	Low	61.2	Low	25 Å²	25	108.1 Å²	108.1	26%	0.258	57%	0.572	S	S	.	*	B	Isolated β-bridge	trans	89.5	-138.8	177.1	0	0	0	0	0	114.5	T30	T30-G33 PolarHBondContact N-O 3.36Å; T30-G33 PolarHBondContact O-N 3.19Å; T30-G33 PolarHBondContact OG1-O 2.77Å
34	S	69.4	Low	64.2	Low	61 Å²	61	106.7 Å²	106.7	43%	0.427	56%	0.556	S	S	.	*	S	Bend	trans	-67.6	162.8	-176.3	63.7	0	0	0	0	113.1	E36 N37 A38	S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 2.82Å; S34-N37 WeakPolarHBondContact O-CB 3.13Å; S34-N37 PolarHBondContact O-N 3.37Å; S34-N37 VanDerWaalsContact O-N 3.14Å; S34-N37 PolarHBondContact OG-N 2.82Å; S34-A38 PolarHBondContact O-N 2.8Å; S34-A38 VanDerWaalsContact O-N 3.1Å
35	T	71.2	Confident	67.2	Low	119 Å²	119	104 Å²	104	73%	0.73	54%	0.536	S	S	*	.	H	α-helix	trans	-59.5	-40	175.4	50.3	0	0	0	0	112.5	N37 A38 D39	T35-N37 VanDerWaalsContact C-N 3.27Å; T35-N37 PolarHBondContact O-N 3.42Å; T35-A38 WeakPolarHBondContact O-CA 3.18Å; T35-A38 WeakPolarHBondContact O-CB 3.39Å; T35-A38 PolarHBondContact O-N 2.92Å; T35-D39 PolarHBondContact O-N 2.76Å
36	E	73.7	Confident	70.2	Confident	113 Å²	113	100.5 Å²	100.5	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-38.3	175.3	-171.6	-170.6	165.5	0	0	112.2	S34 K40	S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 2.82Å; E36-K40 WeakPolarHBondContact O-CG 3.35Å; E36-K40 PolarHBondContact O-N 2.81Å; E36-K40 WeakPolarHBondContact OE1-CE 3.3Å; E36-K40 IonicContact OE1-NZ 2.85Å; E36-K40 PolarHBondContact OE1-NZ 2.83Å
37	N	82.5	Confident	73	Confident	80 Å²	80	96.5 Å²	96.5	43%	0.428	50%	0.499	S	S	.	.	H	α-helix	trans	-70.9	-34	175.5	-74.6	-13.8	0	0	0	111.7	S34 T35 L41	S34-N37 WeakPolarHBondContact O-CB 3.13Å; S34-N37 PolarHBondContact O-N 3.37Å; S34-N37 VanDerWaalsContact O-N 3.14Å; S34-N37 PolarHBondContact OG-N 2.82Å; T35-N37 VanDerWaalsContact C-N 3.27Å; T35-N37 PolarHBondContact O-N 3.42Å; N37-L41 VanDerWaalsContact O-CB 3.22Å; N37-L41 WeakPolarHBondContact O-CB 3.32Å; N37-L41 PolarHBondContact O-N 3Å
38	A	80.4	Confident	75.9	Confident	34 Å²	34	92 Å²	92	28%	0.281	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-44.4	175.8	0	0	0	0	0	111.8	S34 T35 L41 H42	S34-A38 PolarHBondContact O-N 2.8Å; S34-A38 VanDerWaalsContact O-N 3.1Å; T35-A38 WeakPolarHBondContact O-CA 3.18Å; T35-A38 WeakPolarHBondContact O-CB 3.39Å; T35-A38 PolarHBondContact O-N 2.92Å; A38-L41 PolarHBondContact O-N 2.76Å; A38-H42 WeakPolarHBondContact O-CB 3.29Å; A38-H42 PolarHBondContact O-N 2.92Å
39	D	85.3	Confident	78.4	Confident	116 Å²	116	91 Å²	91	62%	0.62	47%	0.474	S	S	*	.	H	α-helix	trans	-65.4	-43.6	177.9	-67.6	-18.8	0	0	0	111.8	T35 L41 H42 Q43	T35-D39 PolarHBondContact O-N 2.76Å; D39-L41 VanDerWaalsContact C-N 3.32Å; D39-L41 PolarHBondContact O-N 3.03Å; D39-H42 PolarHBondContact O-N 2.85Å; D39-Q43 WeakPolarHBondContact O-CB 3.17Å; D39-Q43 PolarHBondContact O-N 3.19Å
40	K	92.7	Very high	81	Confident	119 Å²	119	86.7 Å²	86.7	52%	0.517	45%	0.446	S	S	.	.	H	α-helix	trans	-61.9	-40	175.2	-73.4	176	-173.3	168	0	111.9	E36 Y44	E36-K40 WeakPolarHBondContact O-CG 3.35Å; E36-K40 PolarHBondContact O-N 2.81Å; E36-K40 WeakPolarHBondContact OE1-CE 3.3Å; E36-K40 IonicContact OE1-NZ 2.85Å; E36-K40 PolarHBondContact OE1-NZ 2.83Å; K40-Y44 WeakPolarHBondContact O-CB 3.45Å; K40-Y44 PolarHBondContact O-N 3.36Å
41	L	90.8	Very high	83.2	Confident	62 Å²	62	95 Å²	95	33%	0.325	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-43.8	177	179.8	61.1	0	0	0	111.4	Y32 N37 A38 D39 Q43 Y44 I45	Y32-L41 HydrophobicContact CD1-CD2 3.33Å; Y32-L41 HydrophobicContact CD2-CD2 4.24Å; Y32-L41 HydrophobicContact CE1-CD2 3.84Å; Y32-L41 HydrophobicContact CG-CD2 3.57Å; N37-L41 VanDerWaalsContact O-CB 3.22Å; N37-L41 WeakPolarHBondContact O-CB 3.32Å; N37-L41 PolarHBondContact O-N 3Å; A38-L41 PolarHBondContact O-N 2.76Å; D39-L41 VanDerWaalsContact C-N 3.32Å; D39-L41 PolarHBondContact O-N 3.03Å; L41-Q43 PolarHBondContact O-N 3.45Å; L41-Y44 WeakPolarHBondContact O-CB 3.49Å; L41-Y44 PolarHBondContact O-N 3.49Å; L41-I45 HydrophobicContact CG-CD1 4.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.22Å; L41-I45 PolarHBondContact O-N 2.79Å
42	H	89.1	Confident	85.2	Confident	103 Å²	103	89.1 Å²	89.1	48%	0.477	45%	0.447	S	S	.	.	H	α-helix	trans	-58.3	-48.6	174.5	179.4	82.5	0	0	0	111	A38 D39 Y44 I45 C46	A38-H42 WeakPolarHBondContact O-CB 3.29Å; A38-H42 PolarHBondContact O-N 2.92Å; D39-H42 PolarHBondContact O-N 2.85Å; H42-Y44 VanDerWaalsContact C-N 3.28Å; H42-Y44 PolarHBondContact O-N 2.95Å; H42-I45 PolarHBondContact O-N 2.94Å; H42-I45 VanDerWaalsContact O-N 3.16Å; H42-C46 PolarHBondContact NE2-SG 3.35Å; H42-C46 PolarHBondContact O-N 3.45Å; H42-C46 PolarHBondContact O-SG 3.09Å
43	Q	91.5	Very high	87.3	Confident	103 Å²	103	84.7 Å²	84.7	48%	0.481	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-38.5	176.7	-171.4	62.6	56.4	0	0	112.1	D39 L41 C46 N47	D39-Q43 WeakPolarHBondContact O-CB 3.17Å; D39-Q43 PolarHBondContact O-N 3.19Å; L41-Q43 PolarHBondContact O-N 3.45Å; Q43-C46 PolarHBondContact O-N 3.48Å; Q43-N47 PolarHBondContact NE2-OD1 3.08Å; Q43-N47 WeakPolarHBondContact O-CB 3.29Å; Q43-N47 PolarHBondContact O-N 3.32Å; Q43-N47 PolarHBondContact O-ND2 2.84Å; Q43-N47 PolarHBondContact O-OD1 3.43Å
44	Y	95.1	Very high	89.2	Confident	138 Å²	138	90 Å²	90	54%	0.541	45%	0.452	S	S	.	.	H	α-helix	trans	-60.4	-48.2	174.5	-177.2	-87.9	0	0	0	111.1	K40 L41 H42 C46 N47 H48	K40-Y44 WeakPolarHBondContact O-CB 3.45Å; K40-Y44 PolarHBondContact O-N 3.36Å; L41-Y44 WeakPolarHBondContact O-CB 3.49Å; L41-Y44 PolarHBondContact O-N 3.49Å; H42-Y44 VanDerWaalsContact C-N 3.28Å; H42-Y44 PolarHBondContact O-N 2.95Å; Y44-C46 VanDerWaalsContact C-N 3.35Å; Y44-C46 PolarHBondContact O-N 3.26Å; Y44-N47 PolarHBondContact O-N 2.75Å; Y44-H48 AromaticContact CD1-ND1 3.88Å; Y44-H48 AromaticContact CD2-CE1 3.36Å; Y44-H48 WeakPolarHBondContact CD2-CE1 3.2Å; Y44-H48 AromaticContact CD2-ND1 3.69Å; Y44-H48 AromaticContact CE1-ND1 3.84Å; Y44-H48 AromaticContact CE2-CE1 3.1Å; Y44-H48 WeakPolarHBondContact CE2-CE1 3.35Å; Y44-H48 AromaticContact CE2-ND1 3.66Å; Y44-H48 AromaticContact CE2-NE2 3.57Å; Y44-H48 AromaticContact CG-CE1 3.96Å; Y44-H48 AromaticContact CG-ND1 3.8Å; Y44-H48 AromaticContact CZ-CE1 3.49Å; Y44-H48 VanDerWaalsContact CZ-CE1 3.49Å; Y44-H48 AromaticContact CZ-ND1 3.72Å; Y44-H48 AromaticContact CZ-NE2 3.69Å; Y44-H48 PolarHBondContact O-N 3.2Å; Y44-H48 VanDerWaalsContact O-N 3.15Å; Y44-H48 PolarHBondContact O-ND1 3.4Å
45	I	94	Very high	90.6	Very high	68 Å²	68	87.7 Å²	87.7	35%	0.349	44%	0.435	S	S	.	.	H	α-helix	trans	-57.8	-49	176.6	-67.3	164.4	0	0	0	110.3	L41 H42 N47 H48 S49 I76	L41-I45 HydrophobicContact CG-CD1 4.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.22Å; L41-I45 PolarHBondContact O-N 2.79Å; H42-I45 PolarHBondContact O-N 2.94Å; H42-I45 VanDerWaalsContact O-N 3.16Å; I45-N47 PolarHBondContact O-N 3.05Å; I45-H48 PolarHBondContact O-N 3.26Å; I45-S49 WeakPolarHBondContact O-CB 3.48Å; I45-S49 PolarHBondContact O-N 3.12Å; I45-S49 PolarHBondContact O-OG 3.43Å; I45-I76 HydrophobicContact CG2-CD1 3.83Å; I45-I76 HydrophobicContact CG2-CG1 4.29Å
46	C	93	Very high	91.8	Very high	30 Å²	30	82.9 Å²	82.9	20%	0.203	41%	0.405	C	S	.	.	H	α-helix	trans	-56.7	-48.8	178.7	-72.2	0	0	0	0	111.8	H42 Q43 Y44 H48 I50	H42-C46 PolarHBondContact NE2-SG 3.35Å; H42-C46 PolarHBondContact O-N 3.45Å; H42-C46 PolarHBondContact O-SG 3.09Å; Q43-C46 PolarHBondContact O-N 3.48Å; Y44-C46 VanDerWaalsContact C-N 3.35Å; Y44-C46 PolarHBondContact O-N 3.26Å; C46-H48 PolarHBondContact O-N 2.77Å; C46-I50 HydrophobicContact CB-CG1 4.34Å; C46-I50 WeakPolarHBondContact O-CB 3.48Å; C46-I50 PolarHBondContact O-N 3.29Å
47	N	94.9	Very high	93	Very high	112 Å²	112	81.9 Å²	81.9	60%	0.599	40%	0.399	S	S	*	.	H	α-helix	trans	-62.5	-26.5	-179.7	-71.5	-9.1	0	0	0	114	Q43 Y44 I45	Q43-N47 PolarHBondContact NE2-OD1 3.08Å; Q43-N47 WeakPolarHBondContact O-CB 3.29Å; Q43-N47 PolarHBondContact O-N 3.32Å; Q43-N47 PolarHBondContact O-ND2 2.84Å; Q43-N47 PolarHBondContact O-OD1 3.43Å; Y44-N47 PolarHBondContact O-N 2.75Å; I45-N47 PolarHBondContact O-N 3.05Å
48	H	95.6	Very high	93.7	Very high	124 Å²	124	81.7 Å²	81.7	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-105.4	-11.9	-172.9	-67.3	80	0	0	0	114.3	Y44 I45 C46	Y44-H48 AromaticContact CD1-ND1 3.88Å; Y44-H48 AromaticContact CD2-CE1 3.36Å; Y44-H48 WeakPolarHBondContact CD2-CE1 3.2Å; Y44-H48 AromaticContact CD2-ND1 3.69Å; Y44-H48 AromaticContact CE1-ND1 3.84Å; Y44-H48 AromaticContact CE2-CE1 3.1Å; Y44-H48 WeakPolarHBondContact CE2-CE1 3.35Å; Y44-H48 AromaticContact CE2-ND1 3.66Å; Y44-H48 AromaticContact CE2-NE2 3.57Å; Y44-H48 AromaticContact CG-CE1 3.96Å; Y44-H48 AromaticContact CG-ND1 3.8Å; Y44-H48 AromaticContact CZ-CE1 3.49Å; Y44-H48 VanDerWaalsContact CZ-CE1 3.49Å; Y44-H48 AromaticContact CZ-ND1 3.72Å; Y44-H48 AromaticContact CZ-NE2 3.69Å; Y44-H48 PolarHBondContact O-N 3.2Å; Y44-H48 VanDerWaalsContact O-N 3.15Å; Y44-H48 PolarHBondContact O-ND1 3.4Å; I45-H48 PolarHBondContact O-N 3.26Å; C46-H48 PolarHBondContact O-N 2.77Å
49	S	93	Very high	94.6	Very high	50 Å²	50	80 Å²	80	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-127.9	-29.1	-172.4	65.3	0	0	0	0	115	I45	I45-S49 WeakPolarHBondContact O-CB 3.48Å; I45-S49 PolarHBondContact O-N 3.12Å; I45-S49 PolarHBondContact O-OG 3.43Å
50	I	94.7	Very high	95.1	Very high	41 Å²	41	76 Å²	76	21%	0.21	36%	0.357	C	S	.	.			trans	-82.4	125.4	-171.3	-62.6	-62.3	0	0	0	111	C46 L52 S75 I76 Q79	C46-I50 HydrophobicContact CB-CG1 4.34Å; C46-I50 WeakPolarHBondContact O-CB 3.48Å; C46-I50 PolarHBondContact O-N 3.29Å; I50-L52 HydrophobicContact CG2-CD1 4.03Å; I50-L52 HydrophobicContact CG2-CD2 4.05Å; I50-L52 HydrophobicContact CG2-CG 3.55Å; I50-S75 WeakPolarHBondContact CD1-O 3.25Å; I50-I76 HydrophobicContact CD1-CB 4.44Å; I50-I76 HydrophobicContact CD1-CG1 3.87Å; I50-I76 HydrophobicContact CG1-CG1 4.43Å; I50-Q79 HydrophobicContact CD1-CB 4.15Å
51	R	94.9	Very high	95.3	Very high	210 Å²	210	76.3 Å²	76.3	79%	0.792	36%	0.36	S	S	*	.			trans	-129.4	64.7	-179.3	-65.3	-177.5	178	-115.9	-1	110.9
52	L	95.6	Very high	95.6	Very high	38 Å²	38	75.8 Å²	75.8	20%	0.199	36%	0.356	C	S	.	.			trans	-68.9	137.1	-179.1	-59.2	174.6	0	0	0	112.1	I50 Q56 K57 L60 Y102	I50-L52 HydrophobicContact CG2-CD1 4.03Å; I50-L52 HydrophobicContact CG2-CD2 4.05Å; I50-L52 HydrophobicContact CG2-CG 3.55Å; L52-Q56 HydrophobicContact CB-CB 4.15Å; L52-Q56 HydrophobicContact CD2-CB 4.25Å; L52-K57 HydrophobicContact CB-CG 3.74Å; L52-K57 HydrophobicContact CD1-CG 4.14Å; L52-K57 WeakPolarHBondContact O-CE 3.38Å; L52-L60 HydrophobicContact CD1-CD1 3.61Å; L52-L60 HydrophobicContact CD2-CD1 4.37Å; L52-Y102 VanDerWaalsContact CD2-OH 3.27Å; L52-Y102 WeakPolarHBondContact CD2-OH 3.42Å
53	S	97.3	Very high	95.9	Very high	33 Å²	33	70.9 Å²	70.9	23%	0.231	33%	0.333	C	S	.	.			trans	-65.6	158.8	165.8	81.9	0	0	0	0	110.5	T55 Q56 K57 E109	S53-T55 PolarHBondContact O-N 2.82Å; S53-T55 PolarHBondContact OG-N 3.36Å; S53-Q56 PolarHBondContact O-N 3.36Å; S53-Q56 WeakPolarHBondContact OG-CG 3.39Å; S53-Q56 PolarHBondContact OG-N 2.84Å; S53-K57 WeakPolarHBondContact O-CG 3.42Å; S53-K57 PolarHBondContact O-N 3.07Å; S53-E109 VanDerWaalsContact CB-OE1 3.28Å; S53-E109 WeakPolarHBondContact CB-OE1 3.38Å; S53-E109 PolarHBondContact OG-OE1 3.29Å; S53-E109 PolarHBondContact OG-OE2 3.14Å
54	E	98	Very high	96	Very high	136 Å²	136	69.3 Å²	69.3	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-59.8	-32.6	175.6	-64.7	-54	122.1	0	0	111.5	K57 W58	E54-K57 IonicContact OE1-NZ 2.76Å; E54-K57 PolarHBondContact OE1-NZ 2.97Å; E54-W58 WeakPolarHBondContact O-CB 3.44Å; E54-W58 PolarHBondContact O-N 3.43Å
55	T	98.4	Very high	96	Very high	12 Å²	12	69 Å²	69	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-42.6	175.6	-55.6	0	0	0	0	112.5	S53 W58 L59 L105 A134 M137 A138	S53-T55 PolarHBondContact O-N 2.82Å; S53-T55 PolarHBondContact OG-N 3.36Å; T55-W58 PolarHBondContact O-N 3.11Å; T55-L59 PolarHBondContact O-N 3.4Å; T55-L105 HydrophobicContact CG2-CD1 4.05Å; T55-L105 HydrophobicContact CG2-CD2 3.93Å; T55-A134 HydrophobicContact CG2-CB 4.26Å; T55-A134 WeakPolarHBondContact CG2-O 3.29Å; T55-M137 HydrophobicContact CG2-CB 4.17Å; T55-M137 HydrophobicContact CG2-CE 3.55Å; T55-M137 HydrophobicContact CG2-CG 4.39Å; T55-A138 HydrophobicContact CG2-CB 3.65Å
56	Q	98.2	Very high	95.8	Very high	18 Å²	18	67.4 Å²	67.4	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-44.7	174.2	-73.2	173	-13.7	0	0	111.5	L52 S53 W58 L59 L60 Y102 L105 S106 E109	L52-Q56 HydrophobicContact CB-CB 4.15Å; L52-Q56 HydrophobicContact CD2-CB 4.25Å; S53-Q56 PolarHBondContact O-N 3.36Å; S53-Q56 WeakPolarHBondContact OG-CG 3.39Å; S53-Q56 PolarHBondContact OG-N 2.84Å; Q56-W58 VanDerWaalsContact C-N 3.34Å; Q56-W58 PolarHBondContact O-N 2.99Å; Q56-L59 PolarHBondContact O-N 3.48Å; Q56-L60 WeakPolarHBondContact O-CB 3.2Å; Q56-L60 VanDerWaalsContact O-CG 3.3Å; Q56-L60 WeakPolarHBondContact O-CG 3.19Å; Q56-L60 PolarHBondContact O-N 2.87Å; Q56-Y102 HydrophobicContact CB-CE2 4.02Å; Q56-Y102 HydrophobicContact CG-CE2 3.98Å; Q56-L105 HydrophobicContact CG-CD2 3.82Å; Q56-L105 HydrophobicContact CG-CG 4.26Å; Q56-S106 PolarHBondContact NE2-OG 3.42Å; Q56-E109 WeakPolarHBondContact CG-OE2 3.48Å; Q56-E109 PolarHBondContact NE2-OE2 3.2Å
57	K	97.8	Very high	95.6	Very high	92 Å²	92	71.6 Å²	71.6	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-46.4	176	-67.9	173.1	-168.1	167.6	0	111.6	L52 S53 E54 Q61	L52-K57 HydrophobicContact CB-CG 3.74Å; L52-K57 HydrophobicContact CD1-CG 4.14Å; L52-K57 WeakPolarHBondContact O-CE 3.38Å; S53-K57 WeakPolarHBondContact O-CG 3.42Å; S53-K57 PolarHBondContact O-N 3.07Å; E54-K57 IonicContact OE1-NZ 2.76Å; E54-K57 PolarHBondContact OE1-NZ 2.97Å; K57-Q61 WeakPolarHBondContact O-CB 3.31Å; K57-Q61 PolarHBondContact O-N 2.86Å
58	W	98	Very high	95.3	Very high	76 Å²	76	70.9 Å²	70.9	29%	0.288	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-49	176.6	173.6	83.6	0	0	0	111.6	E54 T55 Q56 L60 Q61 E62 P133 A134 M137	E54-W58 WeakPolarHBondContact O-CB 3.44Å; E54-W58 PolarHBondContact O-N 3.43Å; T55-W58 PolarHBondContact O-N 3.11Å; Q56-W58 VanDerWaalsContact C-N 3.34Å; Q56-W58 PolarHBondContact O-N 2.99Å; W58-L60 PolarHBondContact O-N 2.86Å; W58-Q61 WeakPolarHBondContact O-CB 3.41Å; W58-Q61 PolarHBondContact O-N 2.74Å; W58-Q61 VanDerWaalsContact O-N 3.14Å; W58-E62 HydrophobicContact CD2-CG 4.07Å; W58-E62 HydrophobicContact CH2-CG 4.17Å; W58-E62 HydrophobicContact CZ2-CG 3.61Å; W58-E62 PolarHBondContact O-N 3.46Å; W58-P133 HydrophobicContact CH2-CB 3.73Å; W58-P133 HydrophobicContact CZ3-CB 4.27Å; W58-A134 HydrophobicContact CE3-CB 4.36Å; W58-A134 HydrophobicContact CZ3-CB 3.9Å; W58-M137 HydrophobicContact CB-CE 3.78Å; W58-M137 HydrophobicContact CD2-CE 3.46Å; W58-M137 VanDerWaalsContact CD2-CE 3.46Å; W58-M137 HydrophobicContact CE3-CE 3.4Å; W58-M137 HydrophobicContact CG-CE 3.64Å; W58-M137 HydrophobicContact CZ3-CE 4.25Å
59	L	98.1	Very high	94.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-41.5	-177.6	178.7	58.9	0	0	0	112.1	T55 Q56 Q61 E62 T63 Y102 L105 Y130 A134	T55-L59 PolarHBondContact O-N 3.4Å; Q56-L59 PolarHBondContact O-N 3.48Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.33Å; L59-E62 PolarHBondContact O-N 3.11Å; L59-T63 VanDerWaalsContact O-CB 3.3Å; L59-T63 WeakPolarHBondContact O-CB 3.43Å; L59-T63 PolarHBondContact O-N 3.38Å; L59-T63 PolarHBondContact O-OG1 2.98Å; L59-Y102 HydrophobicContact CD2-CD2 4.45Å; L59-L105 HydrophobicContact CB-CD2 4.46Å; L59-L105 HydrophobicContact CD2-CD2 3.84Å; L59-Y130 HydrophobicContact CD1-CD1 4.29Å; L59-A134 HydrophobicContact CB-CB 4.3Å; L59-A134 HydrophobicContact CD1-CB 4.21Å; L59-A134 HydrophobicContact CD2-CB 3.9Å; L59-A134 HydrophobicContact CG-CB 4.36Å
60	L	97	Very high	94.2	Very high	32 Å²	32	72.4 Å²	72.4	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-42.3	174.3	-71.1	168.9	0	0	0	111.1	L52 Q56 W58 T63 S64 L72 Y102	L52-L60 HydrophobicContact CD1-CD1 3.61Å; L52-L60 HydrophobicContact CD2-CD1 4.37Å; Q56-L60 WeakPolarHBondContact O-CB 3.2Å; Q56-L60 VanDerWaalsContact O-CG 3.3Å; Q56-L60 WeakPolarHBondContact O-CG 3.19Å; Q56-L60 PolarHBondContact O-N 2.87Å; W58-L60 PolarHBondContact O-N 2.86Å; L60-T63 PolarHBondContact O-N 3.29Å; L60-S64 WeakPolarHBondContact O-CB 3.42Å; L60-S64 PolarHBondContact O-N 2.84Å; L60-L72 HydrophobicContact CD2-CD1 3.89Å; L60-L72 HydrophobicContact CD2-CD2 4.37Å; L60-Y102 HydrophobicContact CD1-CE2 4.11Å; L60-Y102 HydrophobicContact CD2-CD1 3.99Å; L60-Y102 HydrophobicContact CD2-CD2 4.24Å; L60-Y102 HydrophobicContact CD2-CE1 3.88Å; L60-Y102 HydrophobicContact CD2-CE2 4.15Å; L60-Y102 HydrophobicContact CD2-CG 4.17Å; L60-Y102 HydrophobicContact CG-CD2 4.33Å; L60-Y102 HydrophobicContact CG-CE2 4.07Å
61	Q	96.8	Very high	93.6	Very high	124 Å²	124	74.8 Å²	74.8	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-65.8	-43.6	177.9	-165.9	175.5	12	0	0	112	K57 W58 L59 S64	K57-Q61 WeakPolarHBondContact O-CB 3.31Å; K57-Q61 PolarHBondContact O-N 2.86Å; W58-Q61 WeakPolarHBondContact O-CB 3.41Å; W58-Q61 PolarHBondContact O-N 2.74Å; W58-Q61 VanDerWaalsContact O-N 3.14Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.33Å; Q61-S64 PolarHBondContact O-N 2.8Å; Q61-S64 PolarHBondContact O-OG 2.76Å
62	E	97	Very high	93.3	Very high	51 Å²	51	66.9 Å²	66.9	24%	0.238	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-43.3	175.4	-67.5	-49.4	129.1	0	0	112.1	W58 L59 S64 K65 Y130	W58-E62 HydrophobicContact CD2-CG 4.07Å; W58-E62 HydrophobicContact CH2-CG 4.17Å; W58-E62 HydrophobicContact CZ2-CG 3.61Å; W58-E62 PolarHBondContact O-N 3.46Å; L59-E62 PolarHBondContact O-N 3.11Å; E62-S64 VanDerWaalsContact C-N 3.3Å; E62-S64 PolarHBondContact O-N 3.2Å; E62-K65 WeakPolarHBondContact O-CB 3.49Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 IonicContact OE1-NZ 2.65Å; E62-K65 PolarHBondContact OE1-NZ 2.89Å; E62-K65 IonicContact OE2-NZ 2.73Å; E62-K65 PolarHBondContact OE2-NZ 3.19Å; E62-Y130 HydrophobicContact CB-CD1 4.19Å; E62-Y130 HydrophobicContact CB-CE1 4.02Å
63	T	95.3	Very high	93.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-35.6	178.8	-55.2	0	0	0	0	111.3	L59 L60 K65 H66 S69 L72 Y99 T100	L59-T63 VanDerWaalsContact O-CB 3.3Å; L59-T63 WeakPolarHBondContact O-CB 3.43Å; L59-T63 PolarHBondContact O-N 3.38Å; L59-T63 PolarHBondContact O-OG1 2.98Å; L60-T63 PolarHBondContact O-N 3.29Å; T63-K65 PolarHBondContact O-N 2.86Å; T63-H66 WeakPolarHBondContact O-CB 3.35Å; T63-H66 PolarHBondContact O-N 3.37Å; T63-S69 VanDerWaalsContact O-CB 3.29Å; T63-S69 WeakPolarHBondContact O-CB 3.47Å; T63-L72 HydrophobicContact CG2-CD1 3.55Å; T63-L72 HydrophobicContact CG2-CD2 3.84Å; T63-L72 HydrophobicContact CG2-CG 3.63Å; T63-Y99 HydrophobicContact CG2-CE1 3.76Å; T63-T100 HydrophobicContact CG2-CG2 3.77Å; T63-T100 WeakPolarHBondContact CG2-OG1 3.29Å; T63-T100 WeakPolarHBondContact OG1-CB 3.36Å; T63-T100 PolarHBondContact OG1-OG1 2.72Å
64	S	93.9	Very high	92.9	Very high	71 Å²	71	66 Å²	66	50%	0.497	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.2	177.1	73.9	0	0	0	0	114.5	L60 Q61 E62 H66	L60-S64 WeakPolarHBondContact O-CB 3.42Å; L60-S64 PolarHBondContact O-N 2.84Å; Q61-S64 PolarHBondContact O-N 2.8Å; Q61-S64 PolarHBondContact O-OG 2.76Å; E62-S64 VanDerWaalsContact C-N 3.3Å; E62-S64 PolarHBondContact O-N 3.2Å; S64-H66 VanDerWaalsContact C-N 3.32Å
65	K	94.1	Very high	92.7	Very high	132 Å²	132	60.8 Å²	60.8	57%	0.574	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15	174.9	-55.7	171	-164.6	167.8	0	112.3	E62 T63	E62-K65 WeakPolarHBondContact O-CB 3.49Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 IonicContact OE1-NZ 2.65Å; E62-K65 PolarHBondContact OE1-NZ 2.89Å; E62-K65 IonicContact OE2-NZ 2.73Å; E62-K65 PolarHBondContact OE2-NZ 3.19Å; T63-K65 PolarHBondContact O-N 2.86Å
66	H	90.6	Very high	92.5	Very high	34 Å²	34	62 Å²	62	16%	0.157	32%	0.323	C	S	.	.	S	Bend	trans	-77.8	140.6	-178.8	-167.9	-94.4	0	0	0	110.8	T63 S64 M68 S69 Y99 Y126	T63-H66 WeakPolarHBondContact O-CB 3.35Å; T63-H66 PolarHBondContact O-N 3.37Å; S64-H66 VanDerWaalsContact C-N 3.32Å; H66-M68 PolarHBondContact ND1-N 3.48Å; H66-M68 VanDerWaalsContact ND1-N 3.1Å; H66-M68 PolarHBondContact O-N 2.93Å; H66-M68 VanDerWaalsContact O-N 3.17Å; H66-S69 VanDerWaalsContact O-CB 3.25Å; H66-S69 WeakPolarHBondContact O-CB 3.49Å; H66-S69 PolarHBondContact O-N 2.92Å; H66-S69 PolarHBondContact O-OG 3.24Å; H66-Y99 PolarHBondContact ND1-OH 2.82Å; H66-Y126 AromaticContact CE1-CE1 3.89Å; H66-Y126 AromaticContact NE2-CE1 3.69Å
67	P	89.4	Confident	92.4	Very high	117 Å²	117	61.3 Å²	61.3	76%	0.76	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.8	179.1	-27.2	35.5	0	0	0	114.4
68	M	87.2	Confident	92.4	Very high	98 Å²	98	57 Å²	57	48%	0.483	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	22.3	177.8	-60.4	-60.2	-63.7	0	0	113.9	H66 L70 M71 Y99	H66-M68 PolarHBondContact ND1-N 3.48Å; H66-M68 VanDerWaalsContact ND1-N 3.1Å; H66-M68 PolarHBondContact O-N 2.93Å; H66-M68 VanDerWaalsContact O-N 3.17Å; M68-L70 PolarHBondContact O-N 2.94Å; M68-M71 HydrophobicContact CB-CG 4.41Å; M68-M71 HydrophobicContact CB-SD 3.85Å; M68-M71 HydrophobicContact CE-CG 4.19Å; M68-M71 HydrophobicContact CE-SD 3.67Å; M68-M71 HydrophobicContact CG-SD 4.46Å; M68-M71 WeakPolarHBondContact O-CB 3.26Å; M68-M71 WeakPolarHBondContact O-CG 3.49Å; M68-M71 PolarHBondContact O-N 3.18Å; M68-Y99 PolarHBondContact O-OH 3.45Å
69	S	84.9	Confident	92.4	Very high	36 Å²	36	55.1 Å²	55.1	25%	0.252	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-55.9	-20.9	-177.9	54.8	0	0	0	0	115.1	T63 H66 M71 L72	T63-S69 VanDerWaalsContact O-CB 3.29Å; T63-S69 WeakPolarHBondContact O-CB 3.47Å; H66-S69 VanDerWaalsContact O-CB 3.25Å; H66-S69 WeakPolarHBondContact O-CB 3.49Å; H66-S69 PolarHBondContact O-N 2.92Å; H66-S69 PolarHBondContact O-OG 3.24Å; S69-M71 PolarHBondContact O-N 3.17Å; S69-L72 PolarHBondContact O-N 2.89Å
70	L	80.2	Confident	92.4	Very high	169 Å²	169	58.1 Å²	58.1	89%	0.885	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63.7	-13.9	174.4	-64.1	175.3	0	0	0	114	M68 L72	M68-L70 PolarHBondContact O-N 2.94Å; L70-L72 PolarHBondContact O-N 3.37Å
71	M	83.5	Confident	92.4	Very high	92 Å²	92	56.6 Å²	56.6	45%	0.453	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-77.9	-2.7	176.8	-67.2	176.8	56.2	0	0	113.8	M68 S69 I73 Y99	M68-M71 HydrophobicContact CB-CG 4.41Å; M68-M71 HydrophobicContact CB-SD 3.85Å; M68-M71 HydrophobicContact CE-CG 4.19Å; M68-M71 HydrophobicContact CE-SD 3.67Å; M68-M71 HydrophobicContact CG-SD 4.46Å; M68-M71 WeakPolarHBondContact O-CB 3.26Å; M68-M71 WeakPolarHBondContact O-CG 3.49Å; M68-M71 PolarHBondContact O-N 3.18Å; S69-M71 PolarHBondContact O-N 3.17Å; M71-I73 PolarHBondContact O-N 3.08Å; M71-Y99 HydrophobicContact CB-CD1 3.93Å; M71-Y99 HydrophobicContact CB-CE1 3.81Å; M71-Y99 HydrophobicContact CE-CD2 4.22Å; M71-Y99 HydrophobicContact CE-CG 4.36Å
72	L	88	Confident	92.5	Very high	43 Å²	43	50.9 Å²	50.9	23%	0.225	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-71.3	128.2	177.4	-79.8	171.4	0	0	0	111.6	L60 T63 S69 L70 Y99 Y102	L60-L72 HydrophobicContact CD2-CD1 3.89Å; L60-L72 HydrophobicContact CD2-CD2 4.37Å; T63-L72 HydrophobicContact CG2-CD1 3.55Å; T63-L72 HydrophobicContact CG2-CD2 3.84Å; T63-L72 HydrophobicContact CG2-CG 3.63Å; S69-L72 PolarHBondContact O-N 2.89Å; L70-L72 PolarHBondContact O-N 3.37Å; L72-Y99 HydrophobicContact CG-CE1 4.43Å; L72-Y102 HydrophobicContact CD2-CD1 4.33Å; L72-Y102 HydrophobicContact CD2-CG 4.46Å
73	I	91.3	Very high	92.6	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.062	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-53.6	143.4	159.9	-176.3	165.5	0	0	0	110.9	M71 E77 M78 L81 Y102 M171 D199	M71-I73 PolarHBondContact O-N 3.08Å; I73-E77 HydrophobicContact CD1-CB 4Å; I73-E77 HydrophobicContact CG1-CB 3.9Å; I73-M78 HydrophobicContact CD1-SD 4.41Å; I73-M78 HydrophobicContact CG2-SD 4.34Å; I73-L81 HydrophobicContact CD1-CD1 4.11Å; I73-Y102 HydrophobicContact CG2-CD1 3.77Å; I73-Y102 HydrophobicContact CG2-CE1 4.23Å; I73-M171 HydrophobicContact CD1-CE 3.5Å; I73-D199 WeakPolarHBondContact CG1-OD2 3.14Å
74	S	92.5	Very high	92.7	Very high	40 Å²	40	55.1 Å²	55.1	28%	0.28	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-67.6	148.5	179.9	83.8	0	0	0	0	112.1	I76 E77 M78	S74-I76 PolarHBondContact O-N 3.36Å; S74-E77 WeakPolarHBondContact CB-OE2 3.39Å; S74-E77 PolarHBondContact N-OE2 2.8Å; S74-E77 PolarHBondContact O-N 2.97Å; S74-E77 WeakPolarHBondContact OG-CB 3.27Å; S74-E77 VanDerWaalsContact OG-CD 3.3Å; S74-E77 VanDerWaalsContact OG-CG 3.32Å; S74-E77 WeakPolarHBondContact OG-CG 3.46Å; S74-E77 PolarHBondContact OG-N 3.35Å; S74-E77 VanDerWaalsContact OG-N 3.17Å; S74-E77 PolarHBondContact OG-OE2 3.07Å; S74-M78 WeakPolarHBondContact O-CB 3.35Å; S74-M78 PolarHBondContact O-N 3.25Å
75	S	94.9	Very high	93	Very high	28 Å²	28	51.8 Å²	51.8	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-26.2	175.9	-66.2	0	0	0	0	113.1	I50 Q79 Y102	I50-S75 WeakPolarHBondContact CD1-O 3.25Å; S75-Q79 VanDerWaalsContact O-CB 3.24Å; S75-Q79 WeakPolarHBondContact O-CB 3.4Å; S75-Q79 PolarHBondContact O-N 3.2Å; S75-Y102 PolarHBondContact OG-OH 2.9Å; S75-Y102 VanDerWaalsContact OG-OH 3.08Å
76	I	94.9	Very high	93.1	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.195	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-47.7	176.9	-66.3	170.1	0	0	0	110	I45 I50 S74 Q79 L80	I45-I76 HydrophobicContact CG2-CD1 3.83Å; I45-I76 HydrophobicContact CG2-CG1 4.29Å; I50-I76 HydrophobicContact CD1-CB 4.44Å; I50-I76 HydrophobicContact CD1-CG1 3.87Å; I50-I76 HydrophobicContact CG1-CG1 4.43Å; S74-I76 PolarHBondContact O-N 3.36Å; I76-Q79 PolarHBondContact O-N 3.47Å; I76-L80 PolarHBondContact O-N 3.14Å; I76-L80 VanDerWaalsContact O-N 3.08Å
77	E	96.1	Very high	93.5	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-48.1	175.1	-73.1	161.4	136.5	0	0	110.4	I73 S74 Q79 L80 L81 T240 G241 L244	I73-E77 HydrophobicContact CD1-CB 4Å; I73-E77 HydrophobicContact CG1-CB 3.9Å; S74-E77 WeakPolarHBondContact CB-OE2 3.39Å; S74-E77 PolarHBondContact N-OE2 2.8Å; S74-E77 PolarHBondContact O-N 2.97Å; S74-E77 WeakPolarHBondContact OG-CB 3.27Å; S74-E77 VanDerWaalsContact OG-CD 3.3Å; S74-E77 VanDerWaalsContact OG-CG 3.32Å; S74-E77 WeakPolarHBondContact OG-CG 3.46Å; S74-E77 PolarHBondContact OG-N 3.35Å; S74-E77 VanDerWaalsContact OG-N 3.17Å; S74-E77 PolarHBondContact OG-OE2 3.07Å; E77-Q79 VanDerWaalsContact C-N 3.32Å; E77-Q79 PolarHBondContact O-N 3.49Å; E77-L80 WeakPolarHBondContact O-CB 3.15Å; E77-L80 PolarHBondContact O-N 2.88Å; E77-L80 VanDerWaalsContact O-N 3.11Å; E77-L81 VanDerWaalsContact O-CG 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.23Å; E77-L81 PolarHBondContact O-N 3.04Å; E77-T240 HydrophobicContact CG-CG2 3.56Å; E77-T240 VanDerWaalsContact OE1-C 3.31Å; E77-T240 VanDerWaalsContact OE1-O 3.11Å; E77-G241 WeakPolarHBondContact OE1-CA 3.46Å; E77-G241 PolarHBondContact OE1-N 2.94Å; E77-L244 HydrophobicContact CG-CD2 4.25Å
78	M	97.2	Very high	93.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-37.3	-178.6	-159.4	62.2	-104.5	0	0	112.8	I73 S74 L81 S82 Y102 S106 I107	I73-M78 HydrophobicContact CD1-SD 4.41Å; I73-M78 HydrophobicContact CG2-SD 4.34Å; S74-M78 WeakPolarHBondContact O-CB 3.35Å; S74-M78 PolarHBondContact O-N 3.25Å; M78-L81 HydrophobicContact CE-CB 3.77Å; M78-L81 HydrophobicContact CE-CD1 4.41Å; M78-L81 PolarHBondContact O-N 3.46Å; M78-S82 VanDerWaalsContact O-CB 3.29Å; M78-S82 WeakPolarHBondContact O-CB 3.38Å; M78-S82 PolarHBondContact O-N 3.38Å; M78-S82 PolarHBondContact O-OG 2.89Å; M78-Y102 HydrophobicContact CB-CE1 3.92Å; M78-Y102 HydrophobicContact CG-CD1 4.49Å; M78-Y102 HydrophobicContact CG-CE1 3.98Å; M78-S106 VanDerWaalsContact CG-OG 3.24Å; M78-S106 WeakPolarHBondContact CG-OG 3.23Å; M78-I107 HydrophobicContact CE-CD1 3.33Å; M78-I107 HydrophobicContact CE-CG1 3.7Å
79	Q	96.9	Very high	94.4	Very high	35 Å²	35	52.2 Å²	52.2	16%	0.164	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-43.4	173.8	-174.7	74.6	79.6	0	0	111.6	I50 S75 I76 E77 N83	I50-Q79 HydrophobicContact CD1-CB 4.15Å; S75-Q79 VanDerWaalsContact O-CB 3.24Å; S75-Q79 WeakPolarHBondContact O-CB 3.4Å; S75-Q79 PolarHBondContact O-N 3.2Å; I76-Q79 PolarHBondContact O-N 3.47Å; E77-Q79 VanDerWaalsContact C-N 3.32Å; E77-Q79 PolarHBondContact O-N 3.49Å; Q79-N83 WeakPolarHBondContact O-CB 3.31Å; Q79-N83 PolarHBondContact O-N 3.43Å; Q79-N83 VanDerWaalsContact O-N 3.08Å; Q79-N83 PolarHBondContact O-ND2 2.92Å
80	L	97.7	Very high	95.1	Very high	63 Å²	63	50.6 Å²	50.6	33%	0.33	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-51.7	175.4	171	62.1	0	0	0	110.9	I76 E77 S82 N83 L84 L238 L244 I246	I76-L80 PolarHBondContact O-N 3.14Å; I76-L80 VanDerWaalsContact O-N 3.08Å; E77-L80 WeakPolarHBondContact O-CB 3.15Å; E77-L80 PolarHBondContact O-N 2.88Å; E77-L80 VanDerWaalsContact O-N 3.11Å; L80-S82 PolarHBondContact O-N 3.43Å; L80-N83 WeakPolarHBondContact O-CB 3.28Å; L80-N83 PolarHBondContact O-N 3.31Å; L80-L84 HydrophobicContact CD1-CD1 4.25Å; L80-L84 HydrophobicContact CD1-CG 4.27Å; L80-L84 HydrophobicContact CG-CD1 4.22Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.49Å; L80-L238 HydrophobicContact CD2-CD1 4.15Å; L80-L244 HydrophobicContact CD2-CD2 4.08Å; L80-I246 HydrophobicContact CD2-CD1 4.06Å
81	L	98.5	Very high	96	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-40.4	-177.8	-64.9	-179.6	0	0	0	112.1	I73 E77 M78 N83 L84 C85 F169 M171 A197 L244	I73-L81 HydrophobicContact CD1-CD1 4.11Å; E77-L81 VanDerWaalsContact O-CG 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.23Å; E77-L81 PolarHBondContact O-N 3.04Å; M78-L81 HydrophobicContact CE-CB 3.77Å; M78-L81 HydrophobicContact CE-CD1 4.41Å; M78-L81 PolarHBondContact O-N 3.46Å; L81-N83 VanDerWaalsContact C-N 3.34Å; L81-N83 PolarHBondContact O-N 3.28Å; L81-L84 HydrophobicContact CD2-CD1 4.24Å; L81-L84 PolarHBondContact O-N 2.87Å; L81-C85 PolarHBondContact O-N 2.89Å; L81-F169 HydrophobicContact CB-CZ 4.3Å; L81-F169 HydrophobicContact CD1-CZ 4.46Å; L81-F169 HydrophobicContact CD2-CE2 4.28Å; L81-F169 HydrophobicContact CD2-CZ 4.35Å; L81-M171 HydrophobicContact CD1-CE 4.09Å; L81-M171 HydrophobicContact CD1-SD 3.48Å; L81-M171 WeakPolarHBondContact CD1-SD 3.34Å; L81-A197 HydrophobicContact CD1-CB 3.95Å; L81-A197 HydrophobicContact CD2-CB 3.42Å; L81-A197 VanDerWaalsContact CD2-CB 3.42Å; L81-A197 HydrophobicContact CG-CB 4.32Å; L81-L244 HydrophobicContact CD1-CD1 4.41Å; L81-L244 HydrophobicContact CD2-CD2 4.18Å
82	S	98.4	Very high	96.7	Very high	4 Å²	4	47 Å²	47	3%	0.028	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42.4	174.1	-56.5	0	0	0	0	111.6	M78 L80 L84 C85 Y86	M78-S82 VanDerWaalsContact O-CB 3.29Å; M78-S82 WeakPolarHBondContact O-CB 3.38Å; M78-S82 PolarHBondContact O-N 3.38Å; M78-S82 PolarHBondContact O-OG 2.89Å; L80-S82 PolarHBondContact O-N 3.43Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.88Å; S82-C85 PolarHBondContact O-N 2.87Å; S82-Y86 WeakPolarHBondContact O-CB 3.42Å; S82-Y86 PolarHBondContact O-N 3.27Å
83	N	98.2	Very high	97.2	Very high	93 Å²	93	45 Å²	45	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-65.8	-35.2	175.1	-76.3	-27.8	0	0	0	112.7	Q79 L80 L81 G87	Q79-N83 WeakPolarHBondContact O-CB 3.31Å; Q79-N83 PolarHBondContact O-N 3.43Å; Q79-N83 VanDerWaalsContact O-N 3.08Å; Q79-N83 PolarHBondContact O-ND2 2.92Å; L80-N83 WeakPolarHBondContact O-CB 3.28Å; L80-N83 PolarHBondContact O-N 3.31Å; L81-N83 VanDerWaalsContact C-N 3.34Å; L81-N83 PolarHBondContact O-N 3.28Å; N83-G87 PolarHBondContact O-N 2.82Å
84	L	98.6	Very high	97.6	Very high	48 Å²	48	44.4 Å²	44.4	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-46.7	174.1	-69.5	173.5	0	0	0	111.1	L80 L81 S82 Y86 G87 I88 I195 I246	L80-L84 HydrophobicContact CD1-CD1 4.25Å; L80-L84 HydrophobicContact CD1-CG 4.27Å; L80-L84 HydrophobicContact CG-CD1 4.22Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.49Å; L81-L84 HydrophobicContact CD2-CD1 4.24Å; L81-L84 PolarHBondContact O-N 2.87Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.88Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 2.9Å; L84-G87 PolarHBondContact O-N 2.82Å; L84-I88 WeakPolarHBondContact O-CG1 3.2Å; L84-I88 WeakPolarHBondContact O-CG2 3.3Å; L84-I88 PolarHBondContact O-N 3.04Å; L84-I195 HydrophobicContact CB-CD1 4.14Å; L84-I246 HydrophobicContact CD1-CD1 3.79Å; L84-I246 HydrophobicContact CD1-CG2 4.46Å
85	C	98.8	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.7	-46.1	174.1	-78	0	0	0	0	112	L81 S82 N89 A90 I107 V110 F169	L81-C85 PolarHBondContact O-N 2.89Å; S82-C85 PolarHBondContact O-N 2.87Å; C85-N89 PolarHBondContact O-N 2.88Å; C85-A90 HydrophobicContact CB-CB 4.02Å; C85-A90 WeakPolarHBondContact O-CB 3.38Å; C85-A90 PolarHBondContact O-N 2.83Å; C85-I107 HydrophobicContact CB-CD1 4.33Å; C85-V110 HydrophobicContact CB-CG2 4.22Å; C85-F169 VanDerWaalsContact SG-CD1 3.58Å; C85-F169 VanDerWaalsContact SG-CD2 3.5Å; C85-F169 WeakPolarHBondContact SG-CG 3.24Å
86	Y	98.2	Very high	98.1	Very high	166 Å²	166	41.4 Å²	41.4	65%	0.651	21%	0.209	S	C	*	.	H	α-helix	trans	-60.5	-48.4	174.8	-173.1	-93.2	0	0	0	111.6	S82 L84 I88 N89	S82-Y86 WeakPolarHBondContact O-CB 3.42Å; S82-Y86 PolarHBondContact O-N 3.27Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 2.9Å; Y86-I88 VanDerWaalsContact C-N 3.33Å; Y86-I88 PolarHBondContact O-N 3.1Å; Y86-N89 PolarHBondContact O-N 2.9Å; Y86-N89 VanDerWaalsContact O-N 3.08Å
87	G	98.3	Very high	98.2	Very high	57 Å²	57	40.2 Å²	40.2	59%	0.588	21%	0.207	S	C	*	.	H	α-helix	trans	-64.8	-30.3	-177.3	0	0	0	0	0	114.5	N83 L84 N89	N83-G87 PolarHBondContact O-N 2.82Å; L84-G87 PolarHBondContact O-N 2.82Å; G87-N89 VanDerWaalsContact C-N 3.33Å
88	I	98.2	Very high	98.3	Very high	40 Å²	40	40.2 Å²	40.2	21%	0.205	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.3	175.5	71.7	172.7	0	0	0	113.7	L84 Y86 A90 D168 R191 I195	L84-I88 WeakPolarHBondContact O-CG1 3.2Å; L84-I88 WeakPolarHBondContact O-CG2 3.3Å; L84-I88 PolarHBondContact O-N 3.04Å; Y86-I88 VanDerWaalsContact C-N 3.33Å; Y86-I88 PolarHBondContact O-N 3.1Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 HydrophobicContact CD1-CB 4.27Å; I88-A90 HydrophobicContact CG1-CB 4.02Å; I88-A90 PolarHBondContact O-N 2.85Å; I88-D168 HydrophobicContact CD1-CB 4.34Å; I88-D168 WeakPolarHBondContact CD1-O 3.45Å; I88-R191 PolarHBondContact O-NH2 3.31Å; I88-I195 HydrophobicContact CD1-CD1 4.07Å; I88-I195 HydrophobicContact CD1-CG1 4.15Å; I88-I195 HydrophobicContact CG2-CD1 3.77Å
89	N	98.1	Very high	98.2	Very high	127 Å²	127	41.1 Å²	41.1	68%	0.679	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	46.8	-171.1	-59.2	-72.6	0	0	0	112.6	C85 Y86 G87	C85-N89 PolarHBondContact O-N 2.88Å; Y86-N89 PolarHBondContact O-N 2.9Å; Y86-N89 VanDerWaalsContact O-N 3.08Å; G87-N89 VanDerWaalsContact C-N 3.33Å
90	A	98.8	Very high	98.2	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.025	20%	0.203	C	C	.	.			trans	-58.1	142.4	177.5	0	0	0	0	0	111	C85 I88 T93 L111 P112 D168	C85-A90 HydrophobicContact CB-CB 4.02Å; C85-A90 WeakPolarHBondContact O-CB 3.38Å; C85-A90 PolarHBondContact O-N 2.83Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 HydrophobicContact CD1-CB 4.27Å; I88-A90 HydrophobicContact CG1-CB 4.02Å; I88-A90 PolarHBondContact O-N 2.85Å; A90-T93 HydrophobicContact CB-CG2 4.05Å; A90-L111 HydrophobicContact CB-CD2 3.77Å; A90-L111 WeakPolarHBondContact O-CD2 3.35Å; A90-P112 VanDerWaalsContact O-CD 3.31Å; A90-P112 WeakPolarHBondContact O-CD 3.24Å; A90-D168 HydrophobicContact CB-CB 3.8Å
91	R	98.8	Very high	98.2	Very high	125 Å²	125	36.5 Å²	36.5	47%	0.472	19%	0.187	S	C	.	.			trans	-128	-39.8	175.7	-69	-175.9	-179.5	-87	-10.3	111.7	P112 D114 G115 R116 D168	R91-P112 HydrophobicContact CG-CG 3.89Å; R91-D114 IonicContact CZ-OD2 3.07Å; R91-D114 IonicContact NH1-OD1 2.66Å; R91-D114 PolarHBondContact NH1-OD1 2.83Å; R91-D114 IonicContact NH1-OD2 3.65Å; R91-D114 PolarHBondContact NH1-OD2 2.84Å; R91-G115 CarbonylContact O-C 3.55Å; R91-G115 WeakPolarHBondContact O-CA 3.46Å; R91-R116 PolarHBondContact O-N 2.82Å; R91-D168 PolarHBondContact N-OD2 2.86Å
92	K	98.9	Very high	98.2	Very high	59 Å²	59	36.8 Å²	36.8	26%	0.257	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116	-179.2	-166	-176.9	-176.3	173	0	109.5	R116 E163 F167 D168	K92-R116 CarbonylContact C-O 3.59Å; K92-R116 WeakPolarHBondContact CA-O 3.48Å; K92-E163 IonicContact NZ-OE1 2.69Å; K92-E163 PolarHBondContact NZ-OE1 2.9Å; K92-E163 IonicContact NZ-OE2 3.37Å; K92-E163 PolarHBondContact NZ-OE2 3.45Å; K92-F167 HydrophobicContact CB-CD1 4.39Å; K92-F167 HydrophobicContact CD-CD1 4.07Å; K92-F167 HydrophobicContact CD-CE1 4Å; K92-F167 HydrophobicContact CD-CG 4.41Å; K92-F167 HydrophobicContact CD-CZ 4.24Å; K92-F167 HydrophobicContact CG-CD1 3.67Å; K92-F167 HydrophobicContact CG-CE1 3.72Å; K92-F167 HydrophobicContact CG-CG 4.38Å; K92-F167 HydrophobicContact CG-CZ 4.45Å; K92-F167 CarbonylContact O-C 3.54Å; K92-F167 WeakPolarHBondContact O-CA 3.45Å; K92-D168 PolarHBondContact N-OD2 2.79Å; K92-D168 PolarHBondContact O-N 3.39Å
93	T	98.9	Very high	98.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.2	-173.6	70.5	0	0	0	0	112.2	A90 I107 L111 R116 V117 L118 F169	A90-T93 HydrophobicContact CB-CG2 4.05Å; T93-I107 HydrophobicContact CG2-CG2 3.98Å; T93-I107 WeakPolarHBondContact OG1-CG2 3.4Å; T93-L111 HydrophobicContact CG2-CD1 4.16Å; T93-L111 HydrophobicContact CG2-CD2 3.95Å; T93-R116 PolarHBondContact N-O 3.03Å; T93-V117 WeakPolarHBondContact OG1-CG2 3.4Å; T93-L118 PolarHBondContact O-N 2.97Å; T93-F169 CarbonylContact C-O 3.49Å; T93-F169 VanDerWaalsContact CA-O 3.23Å; T93-F169 WeakPolarHBondContact CA-O 3.34Å; T93-F169 HydrophobicContact CG2-CB 3.87Å; T93-F169 HydrophobicContact CG2-CD1 4.37Å
94	L	98.9	Very high	98.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.8	171.9	-69.5	159.5	0	0	0	109.8	L118 L155 L158 F167 F169 A170 M171 L189	L94-L118 WeakPolarHBondContact CA-O 3.5Å; L94-L118 HydrophobicContact CD2-CB 4.06Å; L94-L118 HydrophobicContact CD2-CD2 3.77Å; L94-L118 HydrophobicContact CD2-CG 4Å; L94-L155 HydrophobicContact CD1-CD2 4.02Å; L94-L155 HydrophobicContact CD2-CD2 3.94Å; L94-L158 HydrophobicContact CD2-CD1 4.17Å; L94-F167 HydrophobicContact CD1-CB 4.33Å; L94-F167 HydrophobicContact CD1-CD1 3.96Å; L94-F167 HydrophobicContact CD1-CD2 4.16Å; L94-F167 HydrophobicContact CD1-CE1 4.23Å; L94-F167 HydrophobicContact CD1-CE2 4.44Å; L94-F167 HydrophobicContact CD1-CG 3.89Å; L94-F167 HydrophobicContact CD1-CZ 4.46Å; L94-F167 HydrophobicContact CD2-CD1 4.03Å; L94-F167 HydrophobicContact CD2-CE1 3.53Å; L94-F167 HydrophobicContact CD2-CE2 4.45Å; L94-F167 HydrophobicContact CD2-CZ 3.76Å; L94-F167 HydrophobicContact CG-CD1 3.48Å; L94-F167 VanDerWaalsContact CG-CD1 3.48Å; L94-F167 HydrophobicContact CG-CD2 4.49Å; L94-F167 HydrophobicContact CG-CE1 3.54Å; L94-F167 HydrophobicContact CG-CG 3.96Å; L94-F167 HydrophobicContact CG-CZ 4.1Å; L94-F169 PolarHBondContact N-O 3.36Å; L94-A170 HydrophobicContact CB-CB 3.88Å; L94-A170 HydrophobicContact CD1-CB 4.18Å; L94-A170 CarbonylContact O-C 3.51Å; L94-A170 WeakPolarHBondContact O-CA 3.48Å; L94-M171 PolarHBondContact O-N 3.19Å; L94-L189 HydrophobicContact CD1-CB 4.12Å; L94-L189 HydrophobicContact CD1-CD1 3.91Å
95	D	98.8	Very high	98.3	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	106.5	169.9	-172.1	29.7	0	0	0	108.5	S103 S104 V117 L118 L120	D95-S103 VanDerWaalsContact CG-OG 3.3Å; D95-S103 WeakPolarHBondContact OD1-CB 3.36Å; D95-S103 PolarHBondContact OD1-OG 3.03Å; D95-S103 VanDerWaalsContact OD1-OG 3.07Å; D95-S103 PolarHBondContact OD2-OG 3.06Å; D95-S104 WeakPolarHBondContact OD2-CA 3.47Å; D95-S104 WeakPolarHBondContact OD2-CB 3.47Å; D95-S104 PolarHBondContact OD2-N 3.08Å; D95-S104 PolarHBondContact OD2-OG 2.88Å; D95-V117 HydrophobicContact CB-CG1 4.01Å; D95-L118 PolarHBondContact N-O 2.9Å; D95-L120 PolarHBondContact O-N 3.26Å
96	V	98.8	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.5	-175.7	-177.1	0	0	0	0	108.9	L120 A151 L155 M171 D173 A174 Y182	V96-L120 HydrophobicContact CG2-CD1 4.33Å; V96-A151 HydrophobicContact CG1-CB 3.68Å; V96-L155 HydrophobicContact CG2-CD1 4.29Å; V96-M171 WeakPolarHBondContact CB-O 3.38Å; V96-M171 PolarHBondContact N-O 2.9Å; V96-D173 CarbonylContact O-C 3.42Å; V96-D173 VanDerWaalsContact O-C 3.3Å; V96-D173 PolarHBondContact O-N 3.16Å; V96-A174 HydrophobicContact CG1-CB 4.08Å; V96-Y182 HydrophobicContact CG1-CD1 4.04Å; V96-Y182 HydrophobicContact CG1-CD2 4.34Å; V96-Y182 HydrophobicContact CG1-CE1 4.1Å; V96-Y182 HydrophobicContact CG1-CE2 4.4Å; V96-Y182 HydrophobicContact CG1-CG 4.18Å
97	G	97.9	Very high	98.3	Very high	13 Å²	13	22.8 Å²	22.8	13%	0.134	13%	0.125	C	C	.	.			trans	94.9	93.7	-168.7	0	0	0	0	0	110.8	L120 D173	G97-L120 PolarHBondContact N-O 3.13Å; G97-D173 WeakPolarHBondContact CA-O 3.48Å
98	V	97.1	Very high	98.3	Very high	3 Å²	3	20 Å²	20	2%	0.018	10%	0.097	C	C	.	.			trans	-91.8	-38	-171.6	179.2	0	0	0	0	111.2	T100 G101 A119 D121 W135 F146	V98-T100 PolarHBondContact O-N 3.21Å; V98-G101 WeakPolarHBondContact O-CA 3.47Å; V98-G101 PolarHBondContact O-N 3.24Å; V98-A119 HydrophobicContact CG2-CB 3.67Å; V98-D121 WeakPolarHBondContact CA-OD2 3.38Å; V98-D121 HydrophobicContact CB-CB 3.98Å; V98-D121 HydrophobicContact CG2-CB 4.03Å; V98-D121 PolarHBondContact N-OD2 3.29Å; V98-W135 HydrophobicContact CG1-CH2 4.38Å; V98-W135 HydrophobicContact CG1-CZ2 4.03Å; V98-F146 HydrophobicContact CB-CE2 4.2Å; V98-F146 HydrophobicContact CG1-CD2 4.42Å; V98-F146 HydrophobicContact CG1-CE2 4.3Å; V98-F146 HydrophobicContact CG2-CD2 4.18Å; V98-F146 HydrophobicContact CG2-CE2 4.03Å
99	Y	96.1	Very high	98.3	Very high	21 Å²	21	20.9 Å²	20.9	8%	0.082	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-120.7	-172.8	-176.9	-139	0	0	0	111	T63 H66 M68 M71 L72 G101 D121 Y126 C131	T63-Y99 HydrophobicContact CG2-CE1 3.76Å; H66-Y99 PolarHBondContact ND1-OH 2.82Å; M68-Y99 PolarHBondContact O-OH 3.45Å; M71-Y99 HydrophobicContact CB-CD1 3.93Å; M71-Y99 HydrophobicContact CB-CE1 3.81Å; M71-Y99 HydrophobicContact CE-CD2 4.22Å; M71-Y99 HydrophobicContact CE-CG 4.36Å; L72-Y99 HydrophobicContact CG-CE1 4.43Å; Y99-G101 VanDerWaalsContact C-N 3.27Å; Y99-G101 PolarHBondContact O-N 3.03Å; Y99-D121 PolarHBondContact N-OD2 3.01Å; Y99-Y126 AromaticContact CD2-CD2 3.61Å; Y99-Y126 HydrophobicContact CD2-CD2 3.61Å; Y99-Y126 AromaticContact CD2-CE2 3.52Å; Y99-Y126 HydrophobicContact CD2-CE2 3.52Å; Y99-Y126 HydrophobicContact CD2-CG 4.18Å; Y99-Y126 HydrophobicContact CE2-CD1 4.29Å; Y99-Y126 HydrophobicContact CE2-CD2 4.04Å; Y99-Y126 HydrophobicContact CE2-CE1 4.06Å; Y99-Y126 AromaticContact CE2-CE2 3.77Å; Y99-Y126 HydrophobicContact CE2-CE2 3.77Å; Y99-Y126 HydrophobicContact CE2-CG 4.29Å; Y99-Y126 AromaticContact CE2-CZ 3.79Å; Y99-Y126 WeakPolarHBondContact O-CB 3.39Å; Y99-C131 PolarHBondContact O-SG 2.91Å; Y99-C131 VanDerWaalsContact O-SG 3.39Å
100	T	97.2	Very high	98.3	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3	177.3	60	0	0	0	0	114.2	T63 V98 Y126 Y130 C131	T63-T100 HydrophobicContact CG2-CG2 3.77Å; T63-T100 WeakPolarHBondContact CG2-OG1 3.29Å; T63-T100 WeakPolarHBondContact OG1-CB 3.36Å; T63-T100 PolarHBondContact OG1-OG1 2.72Å; V98-T100 PolarHBondContact O-N 3.21Å; T100-Y126 HydrophobicContact CG2-CG 4.45Å; T100-Y130 HydrophobicContact CG2-CD1 4.01Å; T100-Y130 HydrophobicContact CG2-CD2 3.97Å; T100-Y130 HydrophobicContact CG2-CE1 4.47Å; T100-Y130 HydrophobicContact CG2-CE2 4.43Å; T100-Y130 HydrophobicContact CG2-CG 3.73Å; T100-C131 PolarHBondContact O-SG 3.24Å; T100-C131 VanDerWaalsContact O-SG 3.36Å
101	G	97.8	Very high	98.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	89.5	16.7	169.8	0	0	0	0	0	115.5	V98 Y99 L105 W135	V98-G101 WeakPolarHBondContact O-CA 3.47Å; V98-G101 PolarHBondContact O-N 3.24Å; Y99-G101 VanDerWaalsContact C-N 3.27Å; Y99-G101 PolarHBondContact O-N 3.03Å; G101-L105 WeakPolarHBondContact O-CB 3.38Å; G101-L105 PolarHBondContact O-N 3.11Å; G101-W135 PolarHBondContact O-NE1 3.05Å
102	Y	98.3	Very high	98.3	Very high	6 Å²	6	13 Å²	13	2%	0.024	7%	0.071	C	C	.	.	H	α-helix	trans	-67.3	-42.2	-177.9	-179.7	-128.4	0	0	0	113.2	L52 Q56 L59 L60 L72 I73 S75 M78 S106	L52-Y102 VanDerWaalsContact CD2-OH 3.27Å; L52-Y102 WeakPolarHBondContact CD2-OH 3.42Å; Q56-Y102 HydrophobicContact CB-CE2 4.02Å; Q56-Y102 HydrophobicContact CG-CE2 3.98Å; L59-Y102 HydrophobicContact CD2-CD2 4.45Å; L60-Y102 HydrophobicContact CD1-CE2 4.11Å; L60-Y102 HydrophobicContact CD2-CD1 3.99Å; L60-Y102 HydrophobicContact CD2-CD2 4.24Å; L60-Y102 HydrophobicContact CD2-CE1 3.88Å; L60-Y102 HydrophobicContact CD2-CE2 4.15Å; L60-Y102 HydrophobicContact CD2-CG 4.17Å; L60-Y102 HydrophobicContact CG-CD2 4.33Å; L60-Y102 HydrophobicContact CG-CE2 4.07Å; L72-Y102 HydrophobicContact CD2-CD1 4.33Å; L72-Y102 HydrophobicContact CD2-CG 4.46Å; I73-Y102 HydrophobicContact CG2-CD1 3.77Å; I73-Y102 HydrophobicContact CG2-CE1 4.23Å; S75-Y102 PolarHBondContact OG-OH 2.9Å; S75-Y102 VanDerWaalsContact OG-OH 3.08Å; M78-Y102 HydrophobicContact CB-CE1 3.92Å; M78-Y102 HydrophobicContact CG-CD1 4.49Å; M78-Y102 HydrophobicContact CG-CE1 3.98Å; Y102-S106 WeakPolarHBondContact CE2-OG 3.47Å; Y102-S106 WeakPolarHBondContact O-CB 3.41Å; Y102-S106 PolarHBondContact O-N 3.08Å; Y102-S106 PolarHBondContact O-OG 3.47Å
103	S	98.3	Very high	98.2	Very high	11 Å²	11	15.8 Å²	15.8	8%	0.077	10%	0.095	C	C	.	.	H	α-helix	trans	-63.3	-54	175.4	46.2	0	0	0	0	111.4	D95 L105 S106 I107	D95-S103 VanDerWaalsContact CG-OG 3.3Å; D95-S103 WeakPolarHBondContact OD1-CB 3.36Å; D95-S103 PolarHBondContact OD1-OG 3.03Å; D95-S103 VanDerWaalsContact OD1-OG 3.07Å; D95-S103 PolarHBondContact OD2-OG 3.06Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.33Å; S103-S106 PolarHBondContact O-N 3.45Å; S103-I107 WeakPolarHBondContact O-CG1 3.4Å; S103-I107 PolarHBondContact O-N 3.4Å
104	S	98.6	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-51.7	-47.6	174.2	-79.1	0	0	0	0	112.8	D95 A108 A119	D95-S104 WeakPolarHBondContact OD2-CA 3.47Å; D95-S104 WeakPolarHBondContact OD2-CB 3.47Å; D95-S104 PolarHBondContact OD2-N 3.08Å; D95-S104 PolarHBondContact OD2-OG 2.88Å; S104-A108 WeakPolarHBondContact O-CB 3.49Å; S104-A108 PolarHBondContact O-N 3.25Å; S104-A119 VanDerWaalsContact OG-CB 3.29Å; S104-A119 WeakPolarHBondContact OG-CB 3.38Å
105	L	98.8	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-53	177	170.9	65.3	0	0	0	111.1	T55 Q56 L59 G101 S103 I107 A108 E109 A134 A138 V140	T55-L105 HydrophobicContact CG2-CD1 4.05Å; T55-L105 HydrophobicContact CG2-CD2 3.93Å; Q56-L105 HydrophobicContact CG-CD2 3.82Å; Q56-L105 HydrophobicContact CG-CG 4.26Å; L59-L105 HydrophobicContact CB-CD2 4.46Å; L59-L105 HydrophobicContact CD2-CD2 3.84Å; G101-L105 WeakPolarHBondContact O-CB 3.38Å; G101-L105 PolarHBondContact O-N 3.11Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.33Å; L105-I107 VanDerWaalsContact C-N 3.33Å; L105-I107 PolarHBondContact O-N 2.93Å; L105-A108 PolarHBondContact O-N 3.33Å; L105-E109 HydrophobicContact CD1-CG 4.11Å; L105-E109 WeakPolarHBondContact O-CG 3.48Å; L105-E109 PolarHBondContact O-N 3.16Å; L105-A134 HydrophobicContact CD2-CB 4.29Å; L105-A138 HydrophobicContact CD1-CB 3.52Å; L105-V140 HydrophobicContact CD1-CG2 3.93Å
106	S	98.7	Very high	98.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-40.8	-172.8	-58.5	0	0	0	0	112	Q56 M78 Y102 S103	Q56-S106 PolarHBondContact NE2-OG 3.42Å; M78-S106 VanDerWaalsContact CG-OG 3.24Å; M78-S106 WeakPolarHBondContact CG-OG 3.23Å; Y102-S106 WeakPolarHBondContact CE2-OG 3.47Å; Y102-S106 WeakPolarHBondContact O-CB 3.41Å; Y102-S106 PolarHBondContact O-N 3.08Å; Y102-S106 PolarHBondContact O-OG 3.47Å; S103-S106 PolarHBondContact O-N 3.45Å
107	I	98.8	Very high	98.2	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-47.1	174.1	-62.3	-52.9	0	0	0	110.6	M78 C85 T93 S103 L105 E109 V110 L111 V117 F169	M78-I107 HydrophobicContact CE-CD1 3.33Å; M78-I107 HydrophobicContact CE-CG1 3.7Å; C85-I107 HydrophobicContact CB-CD1 4.33Å; T93-I107 HydrophobicContact CG2-CG2 3.98Å; T93-I107 WeakPolarHBondContact OG1-CG2 3.4Å; S103-I107 WeakPolarHBondContact O-CG1 3.4Å; S103-I107 PolarHBondContact O-N 3.4Å; L105-I107 VanDerWaalsContact C-N 3.33Å; L105-I107 PolarHBondContact O-N 2.93Å; I107-E109 VanDerWaalsContact C-N 3.26Å; I107-E109 PolarHBondContact O-N 3.01Å; I107-V110 WeakPolarHBondContact O-CG2 3.2Å; I107-V110 PolarHBondContact O-N 2.91Å; I107-V110 VanDerWaalsContact O-N 3.08Å; I107-L111 HydrophobicContact CG2-CD1 4.18Å; I107-L111 HydrophobicContact CG2-CD2 4.38Å; I107-L111 HydrophobicContact CG2-CG 4.16Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.23Å; I107-V117 HydrophobicContact CB-CG2 4.43Å; I107-V117 HydrophobicContact CG2-CG2 4.04Å; I107-F169 HydrophobicContact CD1-CE1 4.26Å; I107-F169 HydrophobicContact CG1-CE1 4.33Å
108	A	98.8	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-31.6	-177.1	0	0	0	0	0	114	S104 L105 V110 V117 V140 K143 I144	S104-A108 WeakPolarHBondContact O-CB 3.49Å; S104-A108 PolarHBondContact O-N 3.25Å; L105-A108 PolarHBondContact O-N 3.33Å; A108-V110 VanDerWaalsContact C-N 3.34Å; A108-V117 HydrophobicContact CB-CG2 3.8Å; A108-V140 HydrophobicContact CB-CB 3.88Å; A108-V140 HydrophobicContact CB-CG1 4.37Å; A108-V140 HydrophobicContact CB-CG2 3.94Å; A108-K143 HydrophobicContact CB-CB 4.49Å; A108-K143 WeakPolarHBondContact O-CD 3.4Å; A108-K143 PolarHBondContact O-NZ 2.73Å; A108-I144 HydrophobicContact CB-CD1 3.75Å; A108-I144 HydrophobicContact CB-CG1 3.77Å
109	E	98.6	Very high	98.3	Very high	57 Å²	57	25.2 Å²	25.2	27%	0.266	13%	0.133	S	C	.	.	H	α-helix	trans	-66.3	-30.6	176.2	-77.4	-179.3	134.4	0	0	113.1	S53 Q56 L105 I107 A138 V140	S53-E109 VanDerWaalsContact CB-OE1 3.28Å; S53-E109 WeakPolarHBondContact CB-OE1 3.38Å; S53-E109 PolarHBondContact OG-OE1 3.29Å; S53-E109 PolarHBondContact OG-OE2 3.14Å; Q56-E109 WeakPolarHBondContact CG-OE2 3.48Å; Q56-E109 PolarHBondContact NE2-OE2 3.2Å; L105-E109 HydrophobicContact CD1-CG 4.11Å; L105-E109 WeakPolarHBondContact O-CG 3.48Å; L105-E109 PolarHBondContact O-N 3.16Å; I107-E109 VanDerWaalsContact C-N 3.26Å; I107-E109 PolarHBondContact O-N 3.01Å; E109-A138 HydrophobicContact CG-CB 4.25Å; E109-V140 HydrophobicContact CG-CG1 4.11Å
110	V	98.2	Very high	98.4	Very high	47 Å²	47	24.2 Å²	24.2	29%	0.285	13%	0.13	S	C	.	.	H	α-helix	trans	-93.7	-14.5	179.9	-60.5	0	0	0	0	114.2	C85 I107 A108	C85-V110 HydrophobicContact CB-CG2 4.22Å; I107-V110 WeakPolarHBondContact O-CG2 3.2Å; I107-V110 PolarHBondContact O-N 2.91Å; I107-V110 VanDerWaalsContact O-N 3.08Å; A108-V110 VanDerWaalsContact C-N 3.34Å
111	L	98.7	Very high	98.5	Very high	7 Å²	7	25 Å²	25	4%	0.037	13%	0.134	C	C	.	.	S	Bend	trans	-70.9	152.8	175.9	-66.8	-176.1	0	0	0	111.8	A90 T93 I107 V117 K143	A90-L111 HydrophobicContact CB-CD2 3.77Å; A90-L111 WeakPolarHBondContact O-CD2 3.35Å; T93-L111 HydrophobicContact CG2-CD1 4.16Å; T93-L111 HydrophobicContact CG2-CD2 3.95Å; I107-L111 HydrophobicContact CG2-CD1 4.18Å; I107-L111 HydrophobicContact CG2-CD2 4.38Å; I107-L111 HydrophobicContact CG2-CG 4.16Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.23Å; L111-V117 HydrophobicContact CD1-CG2 3.68Å; L111-K143 PolarHBondContact O-NZ 3.22Å
112	P	98.2	Very high	98.5	Very high	36 Å²	36	30.3 Å²	30.3	23%	0.234	16%	0.161	C	C	.	.			trans	-62.7	168.7	173.4	28.1	-35	0	0	0	112.3	A90 R91 D114 G115 K143	A90-P112 VanDerWaalsContact O-CD 3.31Å; A90-P112 WeakPolarHBondContact O-CD 3.24Å; R91-P112 HydrophobicContact CG-CG 3.89Å; P112-D114 WeakPolarHBondContact CB-OD1 3.35Å; P112-D114 PolarHBondContact O-N 2.84Å; P112-G115 PolarHBondContact O-N 3.41Å; P112-K143 VanDerWaalsContact O-CE 3.24Å; P112-K143 WeakPolarHBondContact O-CE 3.22Å; P112-K143 PolarHBondContact O-NZ 2.8Å
113	P	97.8	Very high	98.4	Very high	117 Å²	117	32 Å²	32	76%	0.76	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.5	-178	-28.3	36.5	0	0	0	114.9	G115	P113-G115 VanDerWaalsContact C-N 3.33Å
114	D	97.8	Very high	98.3	Very high	95 Å²	95	35.4 Å²	35.4	51%	0.508	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.8	176.4	64.5	-45.4	0	0	0	113.6	R91 P112	R91-D114 IonicContact CZ-OD2 3.07Å; R91-D114 IonicContact NH1-OD1 2.66Å; R91-D114 PolarHBondContact NH1-OD1 2.83Å; R91-D114 IonicContact NH1-OD2 3.65Å; R91-D114 PolarHBondContact NH1-OD2 2.84Å; P112-D114 WeakPolarHBondContact CB-OD1 3.35Å; P112-D114 PolarHBondContact O-N 2.84Å
115	G	98.7	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.			trans	-66.3	156.2	178.9	0	0	0	0	0	113.1	R91 P112 P113 K143	R91-G115 CarbonylContact O-C 3.55Å; R91-G115 WeakPolarHBondContact O-CA 3.46Å; P112-G115 PolarHBondContact O-N 3.41Å; P113-G115 VanDerWaalsContact C-N 3.33Å; G115-K143 WeakPolarHBondContact O-CB 3.33Å; G115-K143 WeakPolarHBondContact O-CG 3.42Å
116	R	98.8	Very high	98.2	Very high	115 Å²	115	42.9 Å²	42.9	43%	0.434	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.9	-176.5	-64.3	-65.1	179.5	-106.6	9.6	111.4	R91 K92 T93 S142 K143	R91-R116 PolarHBondContact O-N 2.82Å; K92-R116 CarbonylContact C-O 3.59Å; K92-R116 WeakPolarHBondContact CA-O 3.48Å; T93-R116 PolarHBondContact N-O 3.03Å; R116-S142 PolarHBondContact NH1-O 3.35Å; R116-K143 CarbonylContact C-O 3.55Å; R116-K143 VanDerWaalsContact CA-O 3.23Å; R116-K143 WeakPolarHBondContact CA-O 3.41Å
117	V	98.9	Very high	98.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.8	166.6	-175	0	0	0	0	107.2	T93 D95 I107 A108 L111 K143 I144 D145	T93-V117 WeakPolarHBondContact OG1-CG2 3.4Å; D95-V117 HydrophobicContact CB-CG1 4.01Å; I107-V117 HydrophobicContact CB-CG2 4.43Å; I107-V117 HydrophobicContact CG2-CG2 4.04Å; A108-V117 HydrophobicContact CB-CG2 3.8Å; L111-V117 HydrophobicContact CD1-CG2 3.68Å; V117-K143 PolarHBondContact N-O 2.92Å; V117-I144 HydrophobicContact CB-CG1 4.21Å; V117-I144 HydrophobicContact CG2-CG1 4.45Å; V117-I144 CarbonylContact O-C 3.45Å; V117-I144 WeakPolarHBondContact O-CA 3.4Å; V117-D145 PolarHBondContact O-N 2.98Å
118	L	98.9	Very high	98.1	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.047	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	106.9	167.4	173.8	55.9	0	0	0	108.2	T93 L94 D95 L120 D145 R147 L158 F167	T93-L118 PolarHBondContact O-N 2.97Å; L94-L118 WeakPolarHBondContact CA-O 3.5Å; L94-L118 HydrophobicContact CD2-CB 4.06Å; L94-L118 HydrophobicContact CD2-CD2 3.77Å; L94-L118 HydrophobicContact CD2-CG 4Å; D95-L118 PolarHBondContact N-O 2.9Å; L118-L120 HydrophobicContact CD1-CD2 3.75Å; L118-L120 HydrophobicContact CD2-CD2 4.4Å; L118-L120 HydrophobicContact CG-CD2 3.81Å; L118-L120 HydrophobicContact CG-CG 4.39Å; L118-D145 WeakPolarHBondContact CA-O 3.5Å; L118-D145 HydrophobicContact CD1-CB 4.22Å; L118-D145 WeakPolarHBondContact CD1-O 3.37Å; L118-R147 HydrophobicContact CD1-CG 3.76Å; L118-L158 HydrophobicContact CD2-CD1 3.59Å; L118-L158 HydrophobicContact CD2-CD2 4.13Å; L118-L158 HydrophobicContact CD2-CG 4.42Å; L118-F167 HydrophobicContact CB-CE1 4.24Å; L118-F167 HydrophobicContact CD2-CE1 4.34Å; L118-F167 HydrophobicContact CD2-CZ 4.04Å
119	A	98.8	Very high	98	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.4	-173.3	0	0	0	0	0	109.9	V98 S104 I144 D145 F146 R147	V98-A119 HydrophobicContact CG2-CB 3.67Å; S104-A119 VanDerWaalsContact OG-CB 3.29Å; S104-A119 WeakPolarHBondContact OG-CB 3.38Å; A119-I144 HydrophobicContact CB-CG2 3.86Å; A119-D145 PolarHBondContact N-O 3.39Å; A119-F146 HydrophobicContact CB-CD2 4.27Å; A119-F146 CarbonylContact O-C 3.3Å; A119-F146 WeakPolarHBondContact O-CA 3.34Å; A119-R147 PolarHBondContact O-N 2.7Å
120	L	98.8	Very high	98	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124	-171.9	-52.8	-174.8	0	0	0	110.4	D95 V96 G97 L118 R147 A151 T154 L155	D95-L120 PolarHBondContact O-N 3.26Å; V96-L120 HydrophobicContact CG2-CD1 4.33Å; G97-L120 PolarHBondContact N-O 3.13Å; L118-L120 HydrophobicContact CD1-CD2 3.75Å; L118-L120 HydrophobicContact CD2-CD2 4.4Å; L118-L120 HydrophobicContact CG-CD2 3.81Å; L118-L120 HydrophobicContact CG-CG 4.39Å; L120-R147 HydrophobicContact CD2-CB 3.82Å; L120-R147 HydrophobicContact CD2-CG 4.39Å; L120-A151 HydrophobicContact CB-CB 4.15Å; L120-A151 HydrophobicContact CD1-CB 4.23Å; L120-T154 HydrophobicContact CD1-CG2 4.07Å; L120-T154 HydrophobicContact CD2-CG2 3.6Å; L120-L155 HydrophobicContact CD1-CD2 3.81Å; L120-L155 HydrophobicContact CD1-CG 3.97Å
121	D	98.3	Very high	98	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.4	174.8	-152.4	-60.2	0	0	0	111.5	V98 Y99 T123 F146 R147 H148 G149	V98-D121 WeakPolarHBondContact CA-OD2 3.38Å; V98-D121 HydrophobicContact CB-CB 3.98Å; V98-D121 HydrophobicContact CG2-CB 4.03Å; V98-D121 PolarHBondContact N-OD2 3.29Å; Y99-D121 PolarHBondContact N-OD2 3.01Å; D121-T123 WeakPolarHBondContact CB-O 3.37Å; D121-T123 PolarHBondContact O-N 3.08Å; D121-T123 PolarHBondContact OD1-N 2.83Å; D121-F146 HydrophobicContact CB-CE2 3.71Å; D121-F146 HydrophobicContact CB-CZ 3.9Å; D121-R147 PolarHBondContact N-O 2.68Å; D121-H148 WeakPolarHBondContact O-CA 3.42Å; D121-G149 PolarHBondContact O-N 3.29Å
122	I	97.8	Very high	98	Very high	111 Å²	111	55.9 Å²	55.9	57%	0.569	28%	0.282	S	S	*	.	S	Bend	trans	-73.4	-17.8	177.6	-167.2	57.6	0	0	0	112	H148 P150	I122-H148 PolarHBondContact O-CD2 2.97Å; I122-H148 VanDerWaalsContact O-CD2 3.27Å; I122-H148 PolarHBondContact O-NE2 2.56Å; I122-H148 VanDerWaalsContact O-NE2 3.08Å; I122-P150 HydrophobicContact CD1-CB 4.45Å; I122-P150 HydrophobicContact CD1-CG 4.04Å
123	T	96.6	Very high	98	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.252	29%	0.285	S	S	.	.			trans	-132.9	149.9	177.9	-176.9	0	0	0	0	111.4	D121 E125 Y126	D121-T123 WeakPolarHBondContact CB-O 3.37Å; D121-T123 PolarHBondContact O-N 3.08Å; D121-T123 PolarHBondContact OD1-N 2.83Å; T123-E125 HydrophobicContact CG2-CB 4.39Å; T123-E125 VanDerWaalsContact OG1-CB 3.32Å; T123-E125 WeakPolarHBondContact OG1-CB 3.47Å; T123-E125 PolarHBondContact OG1-N 2.52Å; T123-E125 VanDerWaalsContact OG1-N 3.16Å; T123-Y126 HydrophobicContact CG2-CD2 4.4Å; T123-Y126 HydrophobicContact CG2-CE2 4.06Å
124	D	97	Very high	98.1	Very high	84 Å²	84	50.8 Å²	50.8	45%	0.449	25%	0.249	S	C	.	.			trans	-102.3	8.9	170.6	65.7	-3.1	0	0	0	113	Y126 L127 F146	D124-Y126 PolarHBondContact O-N 3.11Å; D124-Y126 VanDerWaalsContact O-N 3.11Å; D124-L127 HydrophobicContact CB-CB 4.29Å; D124-L127 HydrophobicContact CB-CD2 4.3Å; D124-L127 WeakPolarHBondContact O-CB 3.48Å; D124-L127 PolarHBondContact O-N 3.39Å; D124-F146 HydrophobicContact CB-CE1 4.08Å; D124-F146 HydrophobicContact CB-CZ 4.37Å
125	E	97	Very high	98.1	Very high	124 Å²	124	46.4 Å²	46.4	58%	0.579	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.1	-175	-177.5	176.5	-179.7	0	0	113.3	T123	T123-E125 HydrophobicContact CG2-CB 4.39Å; T123-E125 VanDerWaalsContact OG1-CB 3.32Å; T123-E125 WeakPolarHBondContact OG1-CB 3.47Å; T123-E125 PolarHBondContact OG1-N 2.52Å; T123-E125 VanDerWaalsContact OG1-N 3.16Å
126	Y	96.8	Very high	98.1	Very high	32 Å²	32	52 Å²	52	13%	0.125	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.2	-176.8	-46.8	-61.5	0	0	0	113.6	H66 Y99 T100 T123 D124 K128 D129 Y130 C131	H66-Y126 AromaticContact CE1-CE1 3.89Å; H66-Y126 AromaticContact NE2-CE1 3.69Å; Y99-Y126 AromaticContact CD2-CD2 3.61Å; Y99-Y126 HydrophobicContact CD2-CD2 3.61Å; Y99-Y126 AromaticContact CD2-CE2 3.52Å; Y99-Y126 HydrophobicContact CD2-CE2 3.52Å; Y99-Y126 HydrophobicContact CD2-CG 4.18Å; Y99-Y126 HydrophobicContact CE2-CD1 4.29Å; Y99-Y126 HydrophobicContact CE2-CD2 4.04Å; Y99-Y126 HydrophobicContact CE2-CE1 4.06Å; Y99-Y126 AromaticContact CE2-CE2 3.77Å; Y99-Y126 HydrophobicContact CE2-CE2 3.77Å; Y99-Y126 HydrophobicContact CE2-CG 4.29Å; Y99-Y126 AromaticContact CE2-CZ 3.79Å; Y99-Y126 WeakPolarHBondContact O-CB 3.39Å; T100-Y126 HydrophobicContact CG2-CG 4.45Å; T123-Y126 HydrophobicContact CG2-CD2 4.4Å; T123-Y126 HydrophobicContact CG2-CE2 4.06Å; D124-Y126 PolarHBondContact O-N 3.11Å; D124-Y126 VanDerWaalsContact O-N 3.11Å; Y126-K128 PolarHBondContact O-N 3.03Å; Y126-D129 PolarHBondContact O-N 3.15Å; Y126-Y130 HydrophobicContact CD1-CD2 4.4Å; Y126-Y130 HydrophobicContact CD1-CE2 4.42Å; Y126-Y130 PolarHBondContact O-N 3.17Å; Y126-C131 PolarHBondContact O-N 3.12Å
127	L	97.8	Very high	98.1	Very high	34 Å²	34	51.3 Å²	51.3	18%	0.178	25%	0.252	C	S	.	.	I	π-helix	trans	-60	-47.8	-170.1	-178.7	66.1	0	0	0	111.4	D124 C131 L132 W135 F146	D124-L127 HydrophobicContact CB-CB 4.29Å; D124-L127 HydrophobicContact CB-CD2 4.3Å; D124-L127 WeakPolarHBondContact O-CB 3.48Å; D124-L127 PolarHBondContact O-N 3.39Å; L127-C131 HydrophobicContact CD1-CB 3.94Å; L127-C131 WeakPolarHBondContact O-CB 3.15Å; L127-C131 PolarHBondContact O-N 2.92Å; L127-L132 HydrophobicContact CD1-CD2 4.35Å; L127-L132 HydrophobicContact CD1-CG 4.08Å; L127-L132 HydrophobicContact CG-CD1 4.15Å; L127-L132 HydrophobicContact CG-CG 4.08Å; L127-L132 WeakPolarHBondContact O-CG 3.48Å; L127-L132 PolarHBondContact O-N 2.78Å; L127-W135 HydrophobicContact CD1-CH2 3.9Å; L127-W135 HydrophobicContact CD1-CZ3 3.75Å; L127-F146 HydrophobicContact CD1-CB 4.27Å; L127-F146 HydrophobicContact CD1-CD1 3.97Å; L127-F146 HydrophobicContact CD1-CD2 4.06Å; L127-F146 HydrophobicContact CD1-CE1 4.32Å; L127-F146 HydrophobicContact CD1-CE2 4.4Å; L127-F146 HydrophobicContact CD1-CG 3.82Å; L127-F146 HydrophobicContact CD2-CD1 3.73Å; L127-F146 HydrophobicContact CD2-CE1 3.83Å; L127-F146 HydrophobicContact CD2-CG 4.41Å; L127-F146 HydrophobicContact CG-CD1 4.46Å
128	K	97.8	Very high	98.1	Very high	160 Å²	160	52.5 Å²	52.5	70%	0.696	26%	0.263	S	S	*	.	I	π-helix	trans	-71.9	-39.7	-174.1	-175.7	-178.1	172.4	-170.8	0	112.8	Y126 P133	Y126-K128 PolarHBondContact O-N 3.03Å; K128-P133 VanDerWaalsContact O-CD 3.25Å; K128-P133 WeakPolarHBondContact O-CD 3.49Å; K128-P133 WeakPolarHBondContact O-CG 3.48Å
129	D	97	Very high	98.1	Very high	106 Å²	106	54.9 Å²	54.9	57%	0.567	29%	0.289	S	S	*	.	I	π-helix	trans	-96.1	-23.8	-166.8	-64.5	-21.9	0	0	0	112.9	Y126	Y126-D129 PolarHBondContact O-N 3.15Å
130	Y	98.2	Very high	98	Very high	40 Å²	40	55.2 Å²	55.2	16%	0.157	29%	0.291	C	S	.	.	I	π-helix	trans	-119.2	-57.9	-179.3	-62.5	-85.8	0	0	0	112.6	L59 E62 T100 Y126 P133 A134	L59-Y130 HydrophobicContact CD1-CD1 4.29Å; E62-Y130 HydrophobicContact CB-CD1 4.19Å; E62-Y130 HydrophobicContact CB-CE1 4.02Å; T100-Y130 HydrophobicContact CG2-CD1 4.01Å; T100-Y130 HydrophobicContact CG2-CD2 3.97Å; T100-Y130 HydrophobicContact CG2-CE1 4.47Å; T100-Y130 HydrophobicContact CG2-CE2 4.43Å; T100-Y130 HydrophobicContact CG2-CG 3.73Å; Y126-Y130 HydrophobicContact CD1-CD2 4.4Å; Y126-Y130 HydrophobicContact CD1-CE2 4.42Å; Y126-Y130 PolarHBondContact O-N 3.17Å; Y130-P133 WeakPolarHBondContact O-CD 3.38Å; Y130-A134 WeakPolarHBondContact O-CB 3.3Å; Y130-A134 PolarHBondContact O-N 3.07Å; Y130-A134 VanDerWaalsContact O-N 3.11Å
131	C	98.5	Very high	98	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	31%	0.308	C	S	.	.	I	π-helix	trans	-65.3	-60.2	-169.2	-55.7	0	0	0	0	112.4	Y99 T100 Y126 L127 A134 W135	Y99-C131 PolarHBondContact O-SG 2.91Å; Y99-C131 VanDerWaalsContact O-SG 3.39Å; T100-C131 PolarHBondContact O-SG 3.24Å; T100-C131 VanDerWaalsContact O-SG 3.36Å; Y126-C131 PolarHBondContact O-N 3.12Å; L127-C131 HydrophobicContact CD1-CB 3.94Å; L127-C131 WeakPolarHBondContact O-CB 3.15Å; L127-C131 PolarHBondContact O-N 2.92Å; C131-A134 PolarHBondContact O-N 2.95Å; C131-W135 HydrophobicContact CB-CD2 4.16Å; C131-W135 HydrophobicContact CB-CE3 4.26Å; C131-W135 HydrophobicContact CB-CH2 3.67Å; C131-W135 HydrophobicContact CB-CZ2 3.55Å; C131-W135 HydrophobicContact CB-CZ3 4.02Å; C131-W135 WeakPolarHBondContact O-CB 3.4Å; C131-W135 VanDerWaalsContact O-CD2 3.3Å; C131-W135 PolarHBondContact O-N 3Å
132	L	98.7	Very high	98	Very high	49 Å²	49	62.4 Å²	62.4	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-43.5	-177.2	-67.5	174.2	0	0	0	112.7	L127 W135 K136	L127-L132 HydrophobicContact CD1-CD2 4.35Å; L127-L132 HydrophobicContact CD1-CG 4.08Å; L127-L132 HydrophobicContact CG-CD1 4.15Å; L127-L132 HydrophobicContact CG-CG 4.08Å; L127-L132 WeakPolarHBondContact O-CG 3.48Å; L127-L132 PolarHBondContact O-N 2.78Å; L132-W135 HydrophobicContact CD2-CE3 4Å; L132-W135 HydrophobicContact CD2-CZ3 4.19Å; L132-K136 VanDerWaalsContact O-CB 3.29Å; L132-K136 WeakPolarHBondContact O-CB 3.24Å; L132-K136 VanDerWaalsContact O-CG 3.23Å; L132-K136 WeakPolarHBondContact O-CG 3.43Å; L132-K136 PolarHBondContact O-N 2.91Å
133	P	98.5	Very high	98.1	Very high	46 Å²	46	58.2 Å²	58.2	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-58.3	-45.4	173	-27.6	37	0	0	0	113.3	W58 K128 Y130 M137	W58-P133 HydrophobicContact CH2-CB 3.73Å; W58-P133 HydrophobicContact CZ3-CB 4.27Å; K128-P133 VanDerWaalsContact O-CD 3.25Å; K128-P133 WeakPolarHBondContact O-CD 3.49Å; K128-P133 WeakPolarHBondContact O-CG 3.48Å; Y130-P133 WeakPolarHBondContact O-CD 3.38Å; P133-M137 VanDerWaalsContact O-CB 3.3Å; P133-M137 WeakPolarHBondContact O-CB 3.2Å; P133-M137 PolarHBondContact O-N 3.23Å
134	A	98.7	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-51.2	177.8	0	0	0	0	0	111.4	T55 W58 L59 L105 Y130 C131 K136 M137 A138	T55-A134 HydrophobicContact CG2-CB 4.26Å; T55-A134 WeakPolarHBondContact CG2-O 3.29Å; W58-A134 HydrophobicContact CE3-CB 4.36Å; W58-A134 HydrophobicContact CZ3-CB 3.9Å; L59-A134 HydrophobicContact CB-CB 4.3Å; L59-A134 HydrophobicContact CD1-CB 4.21Å; L59-A134 HydrophobicContact CD2-CB 3.9Å; L59-A134 HydrophobicContact CG-CB 4.36Å; L105-A134 HydrophobicContact CD2-CB 4.29Å; Y130-A134 WeakPolarHBondContact O-CB 3.3Å; Y130-A134 PolarHBondContact O-N 3.07Å; Y130-A134 VanDerWaalsContact O-N 3.11Å; C131-A134 PolarHBondContact O-N 2.95Å; A134-K136 VanDerWaalsContact C-N 3.29Å; A134-K136 PolarHBondContact O-N 3.34Å; A134-M137 PolarHBondContact O-N 2.9Å; A134-A138 PolarHBondContact O-N 3.18Å
135	W	98.7	Very high	98.3	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-34.9	-176.5	-55.9	-21	0	0	0	112.3	V98 G101 L127 C131 L132 G139 V140 E141 I144 F146	V98-W135 HydrophobicContact CG1-CH2 4.38Å; V98-W135 HydrophobicContact CG1-CZ2 4.03Å; G101-W135 PolarHBondContact O-NE1 3.05Å; L127-W135 HydrophobicContact CD1-CH2 3.9Å; L127-W135 HydrophobicContact CD1-CZ3 3.75Å; C131-W135 HydrophobicContact CB-CD2 4.16Å; C131-W135 HydrophobicContact CB-CE3 4.26Å; C131-W135 HydrophobicContact CB-CH2 3.67Å; C131-W135 HydrophobicContact CB-CZ2 3.55Å; C131-W135 HydrophobicContact CB-CZ3 4.02Å; C131-W135 WeakPolarHBondContact O-CB 3.4Å; C131-W135 VanDerWaalsContact O-CD2 3.3Å; C131-W135 PolarHBondContact O-N 3Å; L132-W135 HydrophobicContact CD2-CE3 4Å; L132-W135 HydrophobicContact CD2-CZ3 4.19Å; W135-G139 PolarHBondContact O-N 2.97Å; W135-V140 HydrophobicContact CB-CG2 4.31Å; W135-V140 PolarHBondContact O-N 2.83Å; W135-E141 HydrophobicContact CB-CB 4.13Å; W135-E141 PolarHBondContact O-N 2.99Å; W135-I144 HydrophobicContact CB-CD1 4.09Å; W135-I144 VanDerWaalsContact CD1-CD1 3.47Å; W135-I144 HydrophobicContact CD2-CB 4.41Å; W135-I144 HydrophobicContact CD2-CD1 3.56Å; W135-I144 HydrophobicContact CD2-CG2 4.24Å; W135-I144 HydrophobicContact CE3-CB 4.26Å; W135-I144 HydrophobicContact CE3-CD1 4.26Å; W135-I144 HydrophobicContact CE3-CG2 4.03Å; W135-I144 HydrophobicContact CG-CD1 3.45Å; W135-I144 VanDerWaalsContact CG-CD1 3.45Å; W135-I144 HydrophobicContact CH2-CG2 3.72Å; W135-I144 HydrophobicContact CZ2-CD1 4.4Å; W135-I144 HydrophobicContact CZ2-CG2 3.92Å; W135-I144 HydrophobicContact CZ3-CB 4.45Å; W135-I144 HydrophobicContact CZ3-CG2 3.78Å; W135-F146 HydrophobicContact CH2-CB 4.24Å; W135-F146 HydrophobicContact CH2-CD2 4.16Å; W135-F146 HydrophobicContact CZ3-CB 4.26Å
136	K	98.7	Very high	98.4	Very high	118 Å²	118	52.5 Å²	52.5	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-48.6	171.8	-78.2	171.9	-173.8	177.9	0	112.1	L132 A134 A138 G139 E141	L132-K136 VanDerWaalsContact O-CB 3.29Å; L132-K136 WeakPolarHBondContact O-CB 3.24Å; L132-K136 VanDerWaalsContact O-CG 3.23Å; L132-K136 WeakPolarHBondContact O-CG 3.43Å; L132-K136 PolarHBondContact O-N 2.91Å; A134-K136 VanDerWaalsContact C-N 3.29Å; A134-K136 PolarHBondContact O-N 3.34Å; K136-A138 VanDerWaalsContact C-N 3.28Å; K136-A138 PolarHBondContact O-N 3.44Å; K136-G139 PolarHBondContact O-N 3.49Å; K136-E141 WeakPolarHBondContact CE-OE1 3.18Å; K136-E141 WeakPolarHBondContact CE-OE2 3.31Å; K136-E141 HydrophobicContact CG-CB 4.27Å; K136-E141 HydrophobicContact CG-CG 4.4Å; K136-E141 WeakPolarHBondContact CG-OE2 3.38Å; K136-E141 IonicContact NZ-OE1 3.85Å
137	M	98.5	Very high	98.4	Very high	99 Å²	99	55.5 Å²	55.5	49%	0.488	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-35.8	-177.9	-177.2	172.7	50	0	0	112.1	T55 W58 P133 A134 G139	T55-M137 HydrophobicContact CG2-CB 4.17Å; T55-M137 HydrophobicContact CG2-CE 3.55Å; T55-M137 HydrophobicContact CG2-CG 4.39Å; W58-M137 HydrophobicContact CB-CE 3.78Å; W58-M137 HydrophobicContact CD2-CE 3.46Å; W58-M137 VanDerWaalsContact CD2-CE 3.46Å; W58-M137 HydrophobicContact CE3-CE 3.4Å; W58-M137 HydrophobicContact CG-CE 3.64Å; W58-M137 HydrophobicContact CZ3-CE 4.25Å; P133-M137 VanDerWaalsContact O-CB 3.3Å; P133-M137 WeakPolarHBondContact O-CB 3.2Å; P133-M137 PolarHBondContact O-N 3.23Å; A134-M137 PolarHBondContact O-N 2.9Å; M137-G139 VanDerWaalsContact C-N 3.3Å
138	A	98.5	Very high	98.4	Very high	27 Å²	27	59.2 Å²	59.2	22%	0.223	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.2	173.7	0	0	0	0	0	114	T55 L105 E109 A134 K136 V140	T55-A138 HydrophobicContact CG2-CB 3.65Å; L105-A138 HydrophobicContact CD1-CB 3.52Å; E109-A138 HydrophobicContact CG-CB 4.25Å; A134-A138 PolarHBondContact O-N 3.18Å; K136-A138 VanDerWaalsContact C-N 3.28Å; K136-A138 PolarHBondContact O-N 3.44Å; A138-V140 VanDerWaalsContact C-N 3.29Å; A138-V140 HydrophobicContact CB-CG1 4.41Å; A138-V140 HydrophobicContact CB-CG2 3.95Å; A138-V140 PolarHBondContact O-N 2.91Å
139	G	98.4	Very high	98.4	Very high	58 Å²	58	52.2 Å²	52.2	60%	0.598	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	22.9	-177.2	0	0	0	0	0	114.2	W135 K136 M137	W135-G139 PolarHBondContact O-N 2.97Å; K136-G139 PolarHBondContact O-N 3.49Å; M137-G139 VanDerWaalsContact C-N 3.3Å
140	V	98.7	Very high	98.5	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.042	27%	0.272	C	S	.	.			trans	-112.7	-0.7	-176	-60	0	0	0	0	114.2	L105 A108 E109 W135 A138 S142 K143 I144	L105-V140 HydrophobicContact CD1-CG2 3.93Å; A108-V140 HydrophobicContact CB-CB 3.88Å; A108-V140 HydrophobicContact CB-CG1 4.37Å; A108-V140 HydrophobicContact CB-CG2 3.94Å; E109-V140 HydrophobicContact CG-CG1 4.11Å; W135-V140 HydrophobicContact CB-CG2 4.31Å; W135-V140 PolarHBondContact O-N 2.83Å; A138-V140 VanDerWaalsContact C-N 3.29Å; A138-V140 HydrophobicContact CB-CG1 4.41Å; A138-V140 HydrophobicContact CB-CG2 3.95Å; A138-V140 PolarHBondContact O-N 2.91Å; V140-S142 PolarHBondContact O-N 3.33Å; V140-S142 VanDerWaalsContact O-N 3.11Å; V140-K143 WeakPolarHBondContact O-CB 3.47Å; V140-K143 PolarHBondContact O-N 3.08Å; V140-I144 HydrophobicContact CG2-CD1 4.06Å
141	E	98.5	Very high	98.5	Very high	76 Å²	76	48.2 Å²	48.2	36%	0.355	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-46.6	-44.9	178.3	-177.4	-176.4	-153.8	0	0	112.4	W135 K136 K143 I144	W135-E141 HydrophobicContact CB-CB 4.13Å; W135-E141 PolarHBondContact O-N 2.99Å; K136-E141 WeakPolarHBondContact CE-OE1 3.18Å; K136-E141 WeakPolarHBondContact CE-OE2 3.31Å; K136-E141 HydrophobicContact CG-CB 4.27Å; K136-E141 HydrophobicContact CG-CG 4.4Å; K136-E141 WeakPolarHBondContact CG-OE2 3.38Å; K136-E141 IonicContact NZ-OE1 3.85Å; E141-K143 PolarHBondContact O-N 2.9Å; E141-K143 VanDerWaalsContact O-N 3.1Å; E141-I144 PolarHBondContact O-N 3.38Å
142	S	98.2	Very high	98.5	Very high	93 Å²	93	50.2 Å²	50.2	65%	0.65	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.1	-13.8	179.8	67.4	0	0	0	0	115.5	R116 V140	R116-S142 PolarHBondContact NH1-O 3.35Å; V140-S142 PolarHBondContact O-N 3.33Å; V140-S142 VanDerWaalsContact O-N 3.11Å
143	K	98.8	Very high	98.5	Very high	24 Å²	24	53.4 Å²	53.4	10%	0.104	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-90.6	-14.7	175.2	-59.7	-173.8	-172.4	174.2	0	112.4	A108 L111 P112 G115 R116 V117 V140 E141	A108-K143 HydrophobicContact CB-CB 4.49Å; A108-K143 WeakPolarHBondContact O-CD 3.4Å; A108-K143 PolarHBondContact O-NZ 2.73Å; L111-K143 PolarHBondContact O-NZ 3.22Å; P112-K143 VanDerWaalsContact O-CE 3.24Å; P112-K143 WeakPolarHBondContact O-CE 3.22Å; P112-K143 PolarHBondContact O-NZ 2.8Å; G115-K143 WeakPolarHBondContact O-CB 3.33Å; G115-K143 WeakPolarHBondContact O-CG 3.42Å; R116-K143 CarbonylContact C-O 3.55Å; R116-K143 VanDerWaalsContact CA-O 3.23Å; R116-K143 WeakPolarHBondContact CA-O 3.41Å; V117-K143 PolarHBondContact N-O 2.92Å; V140-K143 WeakPolarHBondContact O-CB 3.47Å; V140-K143 PolarHBondContact O-N 3.08Å; E141-K143 PolarHBondContact O-N 2.9Å; E141-K143 VanDerWaalsContact O-N 3.1Å
144	I	98.8	Very high	98.5	Very high	18 Å²	18	52.2 Å²	52.2	9%	0.092	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.6	-171.1	-57.4	171.4	0	0	0	109.1	A108 V117 A119 W135 V140 E141	A108-I144 HydrophobicContact CB-CD1 3.75Å; A108-I144 HydrophobicContact CB-CG1 3.77Å; V117-I144 HydrophobicContact CB-CG1 4.21Å; V117-I144 HydrophobicContact CG2-CG1 4.45Å; V117-I144 CarbonylContact O-C 3.45Å; V117-I144 WeakPolarHBondContact O-CA 3.4Å; A119-I144 HydrophobicContact CB-CG2 3.86Å; W135-I144 HydrophobicContact CB-CD1 4.09Å; W135-I144 VanDerWaalsContact CD1-CD1 3.47Å; W135-I144 HydrophobicContact CD2-CB 4.41Å; W135-I144 HydrophobicContact CD2-CD1 3.56Å; W135-I144 HydrophobicContact CD2-CG2 4.24Å; W135-I144 HydrophobicContact CE3-CB 4.26Å; W135-I144 HydrophobicContact CE3-CD1 4.26Å; W135-I144 HydrophobicContact CE3-CG2 4.03Å; W135-I144 HydrophobicContact CG-CD1 3.45Å; W135-I144 VanDerWaalsContact CG-CD1 3.45Å; W135-I144 HydrophobicContact CH2-CG2 3.72Å; W135-I144 HydrophobicContact CZ2-CD1 4.4Å; W135-I144 HydrophobicContact CZ2-CG2 3.92Å; W135-I144 HydrophobicContact CZ3-CB 4.45Å; W135-I144 HydrophobicContact CZ3-CG2 3.78Å; V140-I144 HydrophobicContact CG2-CD1 4.06Å; E141-I144 PolarHBondContact O-N 3.38Å
145	D	98.7	Very high	98.5	Very high	68 Å²	68	52.2 Å²	52.2	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	102.4	171.7	177.8	15.8	0	0	0	108.1	V117 L118 A119 R147	V117-D145 PolarHBondContact O-N 2.98Å; L118-D145 WeakPolarHBondContact CA-O 3.5Å; L118-D145 HydrophobicContact CD1-CB 4.22Å; L118-D145 WeakPolarHBondContact CD1-O 3.37Å; A119-D145 PolarHBondContact N-O 3.39Å; D145-R147 IonicContact OD1-NE 3.42Å; D145-R147 IonicContact OD2-CZ 2.72Å; D145-R147 IonicContact OD2-NE 3.51Å; D145-R147 PolarHBondContact OD2-NE 3.38Å; D145-R147 IonicContact OD2-NH2 2.65Å; D145-R147 PolarHBondContact OD2-NH2 3.44Å
146	F	98.8	Very high	98.5	Very high	42 Å²	42	55.2 Å²	55.2	18%	0.184	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.7	177.4	179.4	-93.4	0	0	0	111	V98 A119 D121 D124 L127 W135 H148	V98-F146 HydrophobicContact CB-CE2 4.2Å; V98-F146 HydrophobicContact CG1-CD2 4.42Å; V98-F146 HydrophobicContact CG1-CE2 4.3Å; V98-F146 HydrophobicContact CG2-CD2 4.18Å; V98-F146 HydrophobicContact CG2-CE2 4.03Å; A119-F146 HydrophobicContact CB-CD2 4.27Å; A119-F146 CarbonylContact O-C 3.3Å; A119-F146 WeakPolarHBondContact O-CA 3.34Å; D121-F146 HydrophobicContact CB-CE2 3.71Å; D121-F146 HydrophobicContact CB-CZ 3.9Å; D124-F146 HydrophobicContact CB-CE1 4.08Å; D124-F146 HydrophobicContact CB-CZ 4.37Å; L127-F146 HydrophobicContact CD1-CB 4.27Å; L127-F146 HydrophobicContact CD1-CD1 3.97Å; L127-F146 HydrophobicContact CD1-CD2 4.06Å; L127-F146 HydrophobicContact CD1-CE1 4.32Å; L127-F146 HydrophobicContact CD1-CE2 4.4Å; L127-F146 HydrophobicContact CD1-CG 3.82Å; L127-F146 HydrophobicContact CD2-CD1 3.73Å; L127-F146 HydrophobicContact CD2-CE1 3.83Å; L127-F146 HydrophobicContact CD2-CG 4.41Å; L127-F146 HydrophobicContact CG-CD1 4.46Å; W135-F146 HydrophobicContact CH2-CB 4.24Å; W135-F146 HydrophobicContact CH2-CD2 4.16Å; W135-F146 HydrophobicContact CZ3-CB 4.26Å; F146-H148 HydrophobicContact CE1-CB 3.98Å
147	R	98.5	Very high	98.5	Very high	96 Å²	96	53.8 Å²	53.8	36%	0.362	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.6	175.3	-57.2	-169.6	-169.7	171.5	4.6	111	L118 A119 L120 D121 D145	L118-R147 HydrophobicContact CD1-CG 3.76Å; A119-R147 PolarHBondContact O-N 2.7Å; L120-R147 HydrophobicContact CD2-CB 3.82Å; L120-R147 HydrophobicContact CD2-CG 4.39Å; D121-R147 PolarHBondContact N-O 2.68Å; D145-R147 IonicContact OD1-NE 3.42Å; D145-R147 IonicContact OD2-CZ 2.72Å; D145-R147 IonicContact OD2-NE 3.51Å; D145-R147 PolarHBondContact OD2-NE 3.38Å; D145-R147 IonicContact OD2-NH2 2.65Å; D145-R147 PolarHBondContact OD2-NH2 3.44Å
148	H	98.1	Very high	98.5	Very high	111 Å²	111	49.5 Å²	49.5	51%	0.514	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.4	175.3	174.1	-151.7	0	0	0	111	D121 I122 F146	D121-H148 WeakPolarHBondContact O-CA 3.42Å; I122-H148 PolarHBondContact O-CD2 2.97Å; I122-H148 VanDerWaalsContact O-CD2 3.27Å; I122-H148 PolarHBondContact O-NE2 2.56Å; I122-H148 VanDerWaalsContact O-NE2 3.08Å; F146-H148 HydrophobicContact CE1-CB 3.98Å
149	G	97.7	Very high	98.5	Very high	13 Å²	13	49.5 Å²	49.5	13%	0.134	27%	0.272	C	S	.	.	S	Bend	trans	138.7	-174.3	169.6	0	0	0	0	0	112.8	D121 A151	D121-G149 PolarHBondContact O-N 3.29Å; G149-A151 PolarHBondContact O-N 3.17Å; G149-A151 VanDerWaalsContact O-N 3.14Å
150	P	98.1	Very high	98.6	Very high	55 Å²	55	51.9 Å²	51.9	36%	0.357	27%	0.271	S	S	.	.			trans	-58.5	118.6	176.4	-23.9	35	0	0	0	111.5	I122 V152 E153 T154	I122-P150 HydrophobicContact CD1-CB 4.45Å; I122-P150 HydrophobicContact CD1-CG 4.04Å; P150-V152 VanDerWaalsContact C-N 3.26Å; P150-V152 PolarHBondContact O-N 3.32Å; P150-E153 HydrophobicContact CB-CB 4.38Å; P150-E153 HydrophobicContact CB-CG 4.03Å; P150-E153 PolarHBondContact O-N 3.28Å; P150-E153 VanDerWaalsContact O-N 3.16Å; P150-T154 PolarHBondContact O-N 2.94Å
151	A	98.5	Very high	98.5	Very high	7 Å²	7	57.9 Å²	57.9	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-35.6	-177.9	0	0	0	0	0	112	V96 L120 G149 E153 T154 L155 Y182	V96-A151 HydrophobicContact CG1-CB 3.68Å; L120-A151 HydrophobicContact CB-CB 4.15Å; L120-A151 HydrophobicContact CD1-CB 4.23Å; G149-A151 PolarHBondContact O-N 3.17Å; G149-A151 VanDerWaalsContact O-N 3.14Å; A151-E153 VanDerWaalsContact C-N 3.3Å; A151-E153 PolarHBondContact O-N 3.08Å; A151-T154 PolarHBondContact O-N 3.44Å; A151-L155 WeakPolarHBondContact O-CB 3.33Å; A151-L155 WeakPolarHBondContact O-CG 3.35Å; A151-L155 PolarHBondContact O-N 3.4Å; A151-Y182 HydrophobicContact CB-CD1 4.47Å; A151-Y182 HydrophobicContact CB-CE1 3.69Å
152	V	98.6	Very high	98.5	Very high	43 Å²	43	57 Å²	57	26%	0.261	32%	0.315	S	S	.	.	H	α-helix	trans	-54.7	-45.5	175.8	176.5	0	0	0	0	111.5	P150 L155 Q156 N178 N181 Y182 L185	P150-V152 VanDerWaalsContact C-N 3.26Å; P150-V152 PolarHBondContact O-N 3.32Å; V152-L155 PolarHBondContact O-N 2.94Å; V152-Q156 WeakPolarHBondContact O-CB 3.36Å; V152-Q156 PolarHBondContact O-N 3.49Å; V152-N178 HydrophobicContact CG2-CB 4.4Å; V152-N181 HydrophobicContact CG2-CB 4.31Å; V152-Y182 HydrophobicContact CB-CE1 4.46Å; V152-Y182 HydrophobicContact CG2-CD1 4.01Å; V152-Y182 HydrophobicContact CG2-CE1 3.41Å; V152-Y182 VanDerWaalsContact CG2-CE1 3.41Å; V152-L185 HydrophobicContact CB-CD1 4.43Å; V152-L185 HydrophobicContact CG1-CD1 3.91Å
153	E	98.6	Very high	98.5	Very high	117 Å²	117	55.3 Å²	55.3	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-44.2	-179.7	-66.3	177.4	-163.1	0	0	111.2	P150 A151 L155 Q156 N157	P150-E153 HydrophobicContact CB-CB 4.38Å; P150-E153 HydrophobicContact CB-CG 4.03Å; P150-E153 PolarHBondContact O-N 3.28Å; P150-E153 VanDerWaalsContact O-N 3.16Å; A151-E153 VanDerWaalsContact C-N 3.3Å; A151-E153 PolarHBondContact O-N 3.08Å; E153-L155 PolarHBondContact O-N 3.07Å; E153-Q156 PolarHBondContact O-N 3.43Å; E153-N157 WeakPolarHBondContact O-CB 3.29Å; E153-N157 PolarHBondContact O-N 3.15Å; E153-N157 PolarHBondContact O-ND2 3.19Å; E153-N157 VanDerWaalsContact O-ND2 3.14Å
154	T	98.7	Very high	98.5	Very high	21 Å²	21	56.7 Å²	56.7	13%	0.129	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-44.2	178.1	-60.9	0	0	0	0	111.4	L120 P150 A151 N157 L158	L120-T154 HydrophobicContact CD1-CG2 4.07Å; L120-T154 HydrophobicContact CD2-CG2 3.6Å; P150-T154 PolarHBondContact O-N 2.94Å; A151-T154 PolarHBondContact O-N 3.44Å; T154-N157 PolarHBondContact O-N 3.41Å; T154-L158 WeakPolarHBondContact O-CG 3.19Å; T154-L158 PolarHBondContact O-N 2.91Å
155	L	98.9	Very high	98.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-41.4	178.2	-65.6	170.8	0	0	0	111.9	L94 V96 L120 A151 V152 E153 L158 I159 Y182 L185 L189	L94-L155 HydrophobicContact CD1-CD2 4.02Å; L94-L155 HydrophobicContact CD2-CD2 3.94Å; V96-L155 HydrophobicContact CG2-CD1 4.29Å; L120-L155 HydrophobicContact CD1-CD2 3.81Å; L120-L155 HydrophobicContact CD1-CG 3.97Å; A151-L155 WeakPolarHBondContact O-CB 3.33Å; A151-L155 WeakPolarHBondContact O-CG 3.35Å; A151-L155 PolarHBondContact O-N 3.4Å; V152-L155 PolarHBondContact O-N 2.94Å; E153-L155 PolarHBondContact O-N 3.07Å; L155-L158 HydrophobicContact CD2-CD1 4.41Å; L155-L158 WeakPolarHBondContact O-CB 3.34Å; L155-L158 PolarHBondContact O-N 3.16Å; L155-I159 WeakPolarHBondContact O-CG1 3.46Å; L155-I159 PolarHBondContact O-N 3.31Å; L155-Y182 HydrophobicContact CD1-CD1 3.92Å; L155-L185 HydrophobicContact CB-CB 3.93Å; L155-L185 HydrophobicContact CB-CD1 3.97Å; L155-L185 HydrophobicContact CB-CG 4.46Å; L155-L185 HydrophobicContact CD1-CB 4.16Å; L155-L185 HydrophobicContact CD1-CD1 4.33Å; L155-L189 HydrophobicContact CB-CD1 4.1Å; L155-L189 HydrophobicContact CD2-CD1 3.57Å; L155-L189 HydrophobicContact CG-CD1 4.43Å
156	Q	98.8	Very high	98.5	Very high	67 Å²	67	59.7 Å²	59.7	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-43.9	175.2	-175	57.4	57.5	0	0	111.5	V152 E153 L158 I159 D160 L185	V152-Q156 WeakPolarHBondContact O-CB 3.36Å; V152-Q156 PolarHBondContact O-N 3.49Å; E153-Q156 PolarHBondContact O-N 3.43Å; Q156-L158 VanDerWaalsContact C-N 3.28Å; Q156-L158 PolarHBondContact O-N 3.19Å; Q156-I159 WeakPolarHBondContact O-CB 3.35Å; Q156-I159 PolarHBondContact O-N 2.65Å; Q156-I159 VanDerWaalsContact O-N 3.09Å; Q156-D160 PolarHBondContact NE2-OD1 3.21Å; Q156-D160 PolarHBondContact NE2-OD2 3.17Å; Q156-D160 VanDerWaalsContact O-CG 3.28Å; Q156-D160 PolarHBondContact O-N 2.98Å; Q156-L185 HydrophobicContact CB-CD2 4.42Å
157	N	98.6	Very high	98.5	Very high	87 Å²	87	57.8 Å²	57.8	47%	0.465	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-36.4	176.3	-74.3	-30.4	0	0	0	112.5	E153 T154 D160 N161	E153-N157 WeakPolarHBondContact O-CB 3.29Å; E153-N157 PolarHBondContact O-N 3.15Å; E153-N157 PolarHBondContact O-ND2 3.19Å; E153-N157 VanDerWaalsContact O-ND2 3.14Å; T154-N157 PolarHBondContact O-N 3.41Å; N157-D160 PolarHBondContact O-N 2.73Å; N157-N161 WeakPolarHBondContact O-CB 3.34Å; N157-N161 PolarHBondContact O-N 3.3Å; N157-N161 PolarHBondContact O-ND2 2.54Å
158	L	98.8	Very high	98.6	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-47.8	173.7	-70.7	168	0	0	0	110.9	L94 L118 T154 L155 Q156 D160 N161 G162 E163 F167 L189	L94-L158 HydrophobicContact CD2-CD1 4.17Å; L118-L158 HydrophobicContact CD2-CD1 3.59Å; L118-L158 HydrophobicContact CD2-CD2 4.13Å; L118-L158 HydrophobicContact CD2-CG 4.42Å; T154-L158 WeakPolarHBondContact O-CG 3.19Å; T154-L158 PolarHBondContact O-N 2.91Å; L155-L158 HydrophobicContact CD2-CD1 4.41Å; L155-L158 WeakPolarHBondContact O-CB 3.34Å; L155-L158 PolarHBondContact O-N 3.16Å; Q156-L158 VanDerWaalsContact C-N 3.28Å; Q156-L158 PolarHBondContact O-N 3.19Å; L158-D160 VanDerWaalsContact C-N 3.34Å; L158-D160 PolarHBondContact O-N 2.9Å; L158-N161 CarbonylContact O-C 3.52Å; L158-N161 PolarHBondContact O-N 3.16Å; L158-G162 PolarHBondContact O-N 2.69Å; L158-E163 HydrophobicContact CB-CB 4.01Å; L158-E163 HydrophobicContact CD2-CB 4.39Å; L158-E163 HydrophobicContact CD2-CG 4.11Å; L158-E163 VanDerWaalsContact O-CB 3.26Å; L158-E163 WeakPolarHBondContact O-CB 3.37Å; L158-E163 PolarHBondContact O-N 3.45Å; L158-F167 HydrophobicContact CD1-CE2 4.13Å; L158-F167 HydrophobicContact CD1-CZ 3.96Å; L158-F167 HydrophobicContact CD2-CZ 4.48Å; L158-L189 HydrophobicContact CB-CD1 4.38Å; L158-L189 HydrophobicContact CB-CD2 3.7Å; L158-L189 HydrophobicContact CD1-CD1 4.12Å
159	I	98.8	Very high	98.6	Very high	26 Å²	26	48.9 Å²	48.9	13%	0.133	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-48.3	178.2	-65.5	166.1	0	0	0	110.3	L155 Q156 N161 G162 L185 K188 L189	L155-I159 WeakPolarHBondContact O-CG1 3.46Å; L155-I159 PolarHBondContact O-N 3.31Å; Q156-I159 WeakPolarHBondContact O-CB 3.35Å; Q156-I159 PolarHBondContact O-N 2.65Å; Q156-I159 VanDerWaalsContact O-N 3.09Å; I159-N161 PolarHBondContact O-N 2.81Å; I159-G162 PolarHBondContact O-N 3.32Å; I159-L185 HydrophobicContact CD1-CB 4.39Å; I159-L185 HydrophobicContact CD1-CD2 3.58Å; I159-K188 HydrophobicContact CD1-CB 3.89Å; I159-K188 HydrophobicContact CD1-CD 3.78Å; I159-K188 HydrophobicContact CG1-CB 4.32Å; I159-L189 HydrophobicContact CD1-CG 4.33Å; I159-L189 HydrophobicContact CG1-CD1 4.45Å; I159-L189 HydrophobicContact CG1-CD2 3.63Å; I159-L189 HydrophobicContact CG1-CG 3.82Å
160	D	98.7	Very high	98.7	Very high	109 Å²	109	48.3 Å²	48.3	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-27.3	-178.3	-64.2	-20.5	0	0	0	112.5	Q156 N157 L158	Q156-D160 PolarHBondContact NE2-OD1 3.21Å; Q156-D160 PolarHBondContact NE2-OD2 3.17Å; Q156-D160 VanDerWaalsContact O-CG 3.28Å; Q156-D160 PolarHBondContact O-N 2.98Å; N157-D160 PolarHBondContact O-N 2.73Å; L158-D160 VanDerWaalsContact C-N 3.34Å; L158-D160 PolarHBondContact O-N 2.9Å
161	N	98.4	Very high	98.7	Very high	132 Å²	132	45.9 Å²	45.9	71%	0.706	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	15.2	176.2	-70.1	-60.5	0	0	0	113.9	N157 L158 I159	N157-N161 WeakPolarHBondContact O-CB 3.34Å; N157-N161 PolarHBondContact O-N 3.3Å; N157-N161 PolarHBondContact O-ND2 2.54Å; L158-N161 CarbonylContact O-C 3.52Å; L158-N161 PolarHBondContact O-N 3.16Å; I159-N161 PolarHBondContact O-N 2.81Å
162	G	98.2	Very high	98.7	Very high	59 Å²	59	45.5 Å²	45.5	61%	0.608	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	17.4	171	0	0	0	0	0	115.4	L158 I159 S164	L158-G162 PolarHBondContact O-N 2.69Å; I159-G162 PolarHBondContact O-N 3.32Å; G162-S164 VanDerWaalsContact C-N 3.26Å; G162-S164 PolarHBondContact O-N 2.98Å
163	E	98.6	Very high	98.7	Very high	57 Å²	57	44.9 Å²	44.9	27%	0.266	25%	0.249	S	C	.	.			trans	-88.4	17.2	178.4	-67.6	-82.8	-154.9	0	0	113.4	K92 L158 E165 T166 F167 L189	K92-E163 IonicContact NZ-OE1 2.69Å; K92-E163 PolarHBondContact NZ-OE1 2.9Å; K92-E163 IonicContact NZ-OE2 3.37Å; K92-E163 PolarHBondContact NZ-OE2 3.45Å; L158-E163 HydrophobicContact CB-CB 4.01Å; L158-E163 HydrophobicContact CD2-CB 4.39Å; L158-E163 HydrophobicContact CD2-CG 4.11Å; L158-E163 VanDerWaalsContact O-CB 3.26Å; L158-E163 WeakPolarHBondContact O-CB 3.37Å; L158-E163 PolarHBondContact O-N 3.45Å; E163-E165 PolarHBondContact O-N 2.84Å; E163-T166 PolarHBondContact O-N 2.75Å; E163-T166 PolarHBondContact O-OG1 3.34Å; E163-T166 WeakPolarHBondContact OE2-CB 3.45Å; E163-T166 WeakPolarHBondContact OE2-CG2 3.48Å; E163-T166 PolarHBondContact OE2-OG1 3.47Å; E163-F167 HydrophobicContact CB-CE2 4.34Å; E163-L189 HydrophobicContact CB-CD2 4.22Å; E163-L189 VanDerWaalsContact O-CD2 3.3Å; E163-L189 WeakPolarHBondContact O-CD2 3.17Å
164	S	98.6	Very high	98.6	Very high	53 Å²	53	40.4 Å²	40.4	37%	0.371	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	136.8	174.1	-65.2	0	0	0	0	110.5	G162 T166	G162-S164 VanDerWaalsContact C-N 3.26Å; G162-S164 PolarHBondContact O-N 2.98Å; S164-T166 PolarHBondContact O-N 2.98Å
165	E	98.6	Very high	98.5	Very high	96 Å²	96	42.4 Å²	42.4	45%	0.449	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	23.1	178.7	-50.9	-160.4	144.1	0	0	115.9	E163 K188 L189 R191 K249	E163-E165 PolarHBondContact O-N 2.84Å; E165-K188 PolarHBondContact N-O 3.26Å; E165-L189 CarbonylContact C-O 3.52Å; E165-L189 WeakPolarHBondContact CA-O 3.47Å; E165-L189 PolarHBondContact N-O 3.46Å; E165-L189 VanDerWaalsContact N-O 3.11Å; E165-R191 VanDerWaalsContact O-CB 3.29Å; E165-R191 WeakPolarHBondContact O-CB 3.26Å; E165-K249 VanDerWaalsContact OE1-CE 3.31Å; E165-K249 WeakPolarHBondContact OE1-CE 3.3Å; E165-K249 IonicContact OE1-NZ 2.77Å; E165-K249 PolarHBondContact OE1-NZ 3.29Å
166	T	98.7	Very high	98.5	Very high	53 Å²	53	43.2 Å²	43.2	33%	0.325	25%	0.246	S	C	.	.			trans	-98	-11.7	179.5	69.9	0	0	0	0	114.2	E163 S164 L189	E163-T166 PolarHBondContact O-N 2.75Å; E163-T166 PolarHBondContact O-OG1 3.34Å; E163-T166 WeakPolarHBondContact OE2-CB 3.45Å; E163-T166 WeakPolarHBondContact OE2-CG2 3.48Å; E163-T166 PolarHBondContact OE2-OG1 3.47Å; S164-T166 PolarHBondContact O-N 2.98Å; T166-L189 PolarHBondContact N-O 2.69Å
167	F	98.9	Very high	98.4	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.6	-179.5	-68.7	-94.9	0	0	0	111.9	K92 L94 L118 L158 E163 L189 V190 R191	K92-F167 HydrophobicContact CB-CD1 4.39Å; K92-F167 HydrophobicContact CD-CD1 4.07Å; K92-F167 HydrophobicContact CD-CE1 4Å; K92-F167 HydrophobicContact CD-CG 4.41Å; K92-F167 HydrophobicContact CD-CZ 4.24Å; K92-F167 HydrophobicContact CG-CD1 3.67Å; K92-F167 HydrophobicContact CG-CE1 3.72Å; K92-F167 HydrophobicContact CG-CG 4.38Å; K92-F167 HydrophobicContact CG-CZ 4.45Å; K92-F167 CarbonylContact O-C 3.54Å; K92-F167 WeakPolarHBondContact O-CA 3.45Å; L94-F167 HydrophobicContact CD1-CB 4.33Å; L94-F167 HydrophobicContact CD1-CD1 3.96Å; L94-F167 HydrophobicContact CD1-CD2 4.16Å; L94-F167 HydrophobicContact CD1-CE1 4.23Å; L94-F167 HydrophobicContact CD1-CE2 4.44Å; L94-F167 HydrophobicContact CD1-CG 3.89Å; L94-F167 HydrophobicContact CD1-CZ 4.46Å; L94-F167 HydrophobicContact CD2-CD1 4.03Å; L94-F167 HydrophobicContact CD2-CE1 3.53Å; L94-F167 HydrophobicContact CD2-CE2 4.45Å; L94-F167 HydrophobicContact CD2-CZ 3.76Å; L94-F167 HydrophobicContact CG-CD1 3.48Å; L94-F167 VanDerWaalsContact CG-CD1 3.48Å; L94-F167 HydrophobicContact CG-CD2 4.49Å; L94-F167 HydrophobicContact CG-CE1 3.54Å; L94-F167 HydrophobicContact CG-CG 3.96Å; L94-F167 HydrophobicContact CG-CZ 4.1Å; L118-F167 HydrophobicContact CB-CE1 4.24Å; L118-F167 HydrophobicContact CD2-CE1 4.34Å; L118-F167 HydrophobicContact CD2-CZ 4.04Å; L158-F167 HydrophobicContact CD1-CE2 4.13Å; L158-F167 HydrophobicContact CD1-CZ 3.96Å; L158-F167 HydrophobicContact CD2-CZ 4.48Å; E163-F167 HydrophobicContact CB-CE2 4.34Å; F167-L189 HydrophobicContact CD2-CB 3.93Å; F167-L189 HydrophobicContact CD2-CD2 4.29Å; F167-L189 HydrophobicContact CE2-CD2 4.14Å; F167-L189 PolarHBondContact N-O 2.85Å; F167-V190 HydrophobicContact CB-CG1 4.38Å; F167-V190 CarbonylContact O-C 3.54Å; F167-V190 VanDerWaalsContact O-CA 3.22Å; F167-V190 WeakPolarHBondContact O-CA 3.4Å; F167-R191 WeakPolarHBondContact O-CG 2.85Å; F167-R191 PolarHBondContact O-N 3.5Å
168	D	98.9	Very high	98.4	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-32.6	179.2	-61.1	-67.5	0	0	0	112.7	I88 A90 R91 K92 R191 G194 I195	I88-D168 HydrophobicContact CD1-CB 4.34Å; I88-D168 WeakPolarHBondContact CD1-O 3.45Å; A90-D168 HydrophobicContact CB-CB 3.8Å; R91-D168 PolarHBondContact N-OD2 2.86Å; K92-D168 PolarHBondContact N-OD2 2.79Å; K92-D168 PolarHBondContact O-N 3.39Å; D168-R191 IonicContact OD1-CZ 3.82Å; D168-R191 IonicContact OD1-NE 2.71Å; D168-R191 PolarHBondContact OD1-NE 3.33Å; D168-R191 IonicContact OD1-NH2 2.8Å; D168-R191 PolarHBondContact OD1-NH2 2.97Å; D168-G194 WeakPolarHBondContact O-CA 3.23Å; D168-I195 PolarHBondContact O-N 2.91Å
169	F	98.9	Very high	98.4	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.1	-173.4	174.9	-92.8	0	0	0	110.9	L81 C85 T93 L94 I107 M171 I195 A197	L81-F169 HydrophobicContact CB-CZ 4.3Å; L81-F169 HydrophobicContact CD1-CZ 4.46Å; L81-F169 HydrophobicContact CD2-CE2 4.28Å; L81-F169 HydrophobicContact CD2-CZ 4.35Å; C85-F169 VanDerWaalsContact SG-CD1 3.58Å; C85-F169 VanDerWaalsContact SG-CD2 3.5Å; C85-F169 WeakPolarHBondContact SG-CG 3.24Å; T93-F169 CarbonylContact C-O 3.49Å; T93-F169 VanDerWaalsContact CA-O 3.23Å; T93-F169 WeakPolarHBondContact CA-O 3.34Å; T93-F169 HydrophobicContact CG2-CB 3.87Å; T93-F169 HydrophobicContact CG2-CD1 4.37Å; L94-F169 PolarHBondContact N-O 3.36Å; I107-F169 HydrophobicContact CD1-CE1 4.26Å; I107-F169 HydrophobicContact CG1-CE1 4.33Å; F169-M171 HydrophobicContact CE1-CB 3.84Å; F169-M171 HydrophobicContact CZ-CB 4.23Å; F169-I195 CarbonylContact C-O 3.59Å; F169-I195 WeakPolarHBondContact CA-O 3.47Å; F169-I195 HydrophobicContact CD2-CB 3.88Å; F169-I195 HydrophobicContact CD2-CG2 3.84Å; F169-I195 HydrophobicContact CE2-CG2 3.96Å; F169-A197 HydrophobicContact CE2-CB 3.9Å; F169-A197 HydrophobicContact CZ-CB 3.84Å
170	A	98.9	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.8	169.2	0	0	0	0	0	110.8	L94 C186 V190 I195 I196 A197	L94-A170 HydrophobicContact CB-CB 3.88Å; L94-A170 HydrophobicContact CD1-CB 4.18Å; L94-A170 CarbonylContact O-C 3.51Å; L94-A170 WeakPolarHBondContact O-CA 3.48Å; A170-C186 HydrophobicContact CB-CB 4.03Å; A170-V190 HydrophobicContact CB-CG1 4.05Å; A170-I195 PolarHBondContact N-O 3.39Å; A170-I196 HydrophobicContact CB-CG1 4.38Å; A170-I196 HydrophobicContact CB-CG2 4.36Å; A170-I196 CarbonylContact O-C 3.59Å; A170-I196 WeakPolarHBondContact O-CA 3.46Å; A170-A197 PolarHBondContact O-N 3.34Å
171	M	98.8	Very high	98.4	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.8	166.1	-173.7	62.7	-168.2	0	0	109.7	I73 L81 L94 V96 F169 D173 A197 D199	I73-M171 HydrophobicContact CD1-CE 3.5Å; L81-M171 HydrophobicContact CD1-CE 4.09Å; L81-M171 HydrophobicContact CD1-SD 3.48Å; L81-M171 WeakPolarHBondContact CD1-SD 3.34Å; L94-M171 PolarHBondContact O-N 3.19Å; V96-M171 WeakPolarHBondContact CB-O 3.38Å; V96-M171 PolarHBondContact N-O 2.9Å; F169-M171 HydrophobicContact CE1-CB 3.84Å; F169-M171 HydrophobicContact CZ-CB 4.23Å; M171-D173 HydrophobicContact CE-CB 4.12Å; M171-A197 CarbonylContact C-O 3.59Å; M171-A197 WeakPolarHBondContact CA-O 3.38Å; M171-A197 HydrophobicContact SD-CB 3.63Å; M171-D199 HydrophobicContact CE-CB 3.64Å
172	I	98.8	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.8	175.7	-59.2	172.4	0	0	0	108.4	Y179 Y182 C186 I196 A197 I198 D199	I172-Y179 HydrophobicContact CG2-CD1 3.97Å; I172-Y179 HydrophobicContact CG2-CE1 3.86Å; I172-Y182 HydrophobicContact CG2-CD2 3.94Å; I172-Y182 HydrophobicContact CG2-CG 4.24Å; I172-C186 HydrophobicContact CD1-CB 4.22Å; I172-I196 HydrophobicContact CD1-CG2 3.64Å; I172-I196 HydrophobicContact CG1-CG2 4.25Å; I172-A197 PolarHBondContact N-O 2.82Å; I172-I198 HydrophobicContact CB-CB 4.49Å; I172-I198 HydrophobicContact CB-CG1 4.26Å; I172-I198 HydrophobicContact CB-CG2 4.16Å; I172-I198 HydrophobicContact CD1-CD1 4.35Å; I172-I198 HydrophobicContact CD1-CG1 4.16Å; I172-I198 HydrophobicContact CG2-CG2 4.18Å; I172-I198 WeakPolarHBondContact O-CA 3.47Å; I172-D199 PolarHBondContact O-N 3.44Å; I172-D199 VanDerWaalsContact O-N 3.12Å
173	D	97.6	Very high	98.5	Very high	29 Å²	29	29.9 Å²	29.9	16%	0.155	16%	0.161	C	C	.	.			trans	-148.6	68.3	171.2	-171	21.8	0	0	0	112.2	V96 G97 M171 K176 Y179 D199 N200	V96-D173 CarbonylContact O-C 3.42Å; V96-D173 VanDerWaalsContact O-C 3.3Å; V96-D173 PolarHBondContact O-N 3.16Å; G97-D173 WeakPolarHBondContact CA-O 3.48Å; M171-D173 HydrophobicContact CE-CB 4.12Å; D173-K176 IonicContact OD1-NZ 3.92Å; D173-K176 PolarHBondContact OD1-NZ 3.08Å; D173-Y179 PolarHBondContact OD1-OH 2.82Å; D173-D199 HydrophobicContact CB-CB 4.01Å; D173-N200 PolarHBondContact OD1-OD1 2.92Å
174	A	96.7	Very high	98.5	Very high	24 Å²	24	32.1 Å²	32.1	20%	0.198	17%	0.17	C	C	.	.	S	Bend	trans	-122.5	-146.5	179.9	0	0	0	0	0	112	V96 K176 Y182	V96-A174 HydrophobicContact CG1-CB 4.08Å; A174-K176 WeakPolarHBondContact O-CD 3.36Å; A174-K176 PolarHBondContact O-N 3.03Å; A174-K176 PolarHBondContact O-NZ 3.08Å; A174-Y182 HydrophobicContact CB-CE2 3.87Å
175	D	97.6	Very high	98.5	Very high	62 Å²	62	30.2 Å²	30.2	33%	0.332	16%	0.155	S	C	.	.			trans	-65.1	121.8	173.5	61	-60.2	0	0	0	111.1	E177 N178 Y182	D175-E177 VanDerWaalsContact C-N 3.26Å; D175-E177 PolarHBondContact O-N 3.14Å; D175-N178 PolarHBondContact O-N 3.26Å; D175-N178 VanDerWaalsContact O-N 3.16Å; D175-N178 WeakPolarHBondContact OD2-CB 3.28Å; D175-N178 PolarHBondContact OD2-ND2 2.66Å; D175-Y182 WeakPolarHBondContact OD1-CE2 3.42Å; D175-Y182 PolarHBondContact OD1-OH 2.97Å
176	K	98.1	Very high	98.5	Very high	18 Å²	18	25.6 Å²	25.6	8%	0.078	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-70.3	-25.1	-165.1	-51.2	-54.8	-178.9	-135.6	0	112.5	D173 A174 N178 Y179 N200 W203 Q216 I220	D173-K176 IonicContact OD1-NZ 3.92Å; D173-K176 PolarHBondContact OD1-NZ 3.08Å; A174-K176 WeakPolarHBondContact O-CD 3.36Å; A174-K176 PolarHBondContact O-N 3.03Å; A174-K176 PolarHBondContact O-NZ 3.08Å; K176-N178 PolarHBondContact O-N 3.46Å; K176-Y179 HydrophobicContact CD-CD1 4.33Å; K176-Y179 HydrophobicContact CD-CD2 4.33Å; K176-Y179 HydrophobicContact CD-CE1 3.59Å; K176-Y179 HydrophobicContact CD-CE2 3.6Å; K176-Y179 WeakPolarHBondContact CD-OH 3.48Å; K176-Y179 WeakPolarHBondContact CE-OH 3.27Å; K176-Y179 PolarHBondContact NZ-OH 3.34Å; K176-Y179 WeakPolarHBondContact O-CB 3.14Å; K176-Y179 PolarHBondContact O-N 3.2Å; K176-N200 WeakPolarHBondContact CE-OD1 3.35Å; K176-N200 PolarHBondContact NZ-OD1 3.44Å; K176-W203 HydrophobicContact CD-CH2 4.27Å; K176-W203 HydrophobicContact CD-CZ3 4.04Å; K176-W203 HydrophobicContact CG-CE3 4.41Å; K176-W203 HydrophobicContact CG-CH2 3.75Å; K176-W203 HydrophobicContact CG-CZ2 4.03Å; K176-W203 HydrophobicContact CG-CZ3 3.96Å; K176-Q216 HydrophobicContact CB-CB 3.69Å; K176-Q216 HydrophobicContact CB-CG 3.98Å; K176-Q216 HydrophobicContact CG-CB 4.06Å; K176-Q216 HydrophobicContact CG-CG 4.19Å; K176-I220 HydrophobicContact CB-CD1 3.94Å; K176-I220 HydrophobicContact CB-CG1 3.96Å; K176-I220 HydrophobicContact CD-CD1 4.21Å; K176-I220 HydrophobicContact CG-CD1 4Å; K176-I220 HydrophobicContact CG-CG1 4.49Å
177	E	97.9	Very high	98.5	Very high	74 Å²	74	24.4 Å²	24.4	35%	0.346	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-59.4	-31.8	175.1	-59.5	88.3	163.2	0	0	112	D175 P215 Q216	D175-E177 VanDerWaalsContact C-N 3.26Å; D175-E177 PolarHBondContact O-N 3.14Å; E177-P215 HydrophobicContact CG-CB 3.55Å; E177-Q216 PolarHBondContact OE1-NE2 3.2Å
178	N	98.3	Very high	98.5	Very high	45 Å²	45	29.4 Å²	29.4	24%	0.241	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-95.9	5.3	-178.9	-83.5	-65.5	0	0	0	114.2	V152 D175 K176 S180 N181 Y182	V152-N178 HydrophobicContact CG2-CB 4.4Å; D175-N178 PolarHBondContact O-N 3.26Å; D175-N178 VanDerWaalsContact O-N 3.16Å; D175-N178 WeakPolarHBondContact OD2-CB 3.28Å; D175-N178 PolarHBondContact OD2-ND2 2.66Å; K176-N178 PolarHBondContact O-N 3.46Å; N178-S180 VanDerWaalsContact C-N 3.29Å; N178-S180 PolarHBondContact O-N 2.87Å; N178-N181 WeakPolarHBondContact O-CA 3.35Å; N178-N181 WeakPolarHBondContact O-CB 3.39Å; N178-N181 PolarHBondContact O-N 3.17Å; N178-N181 PolarHBondContact OD1-ND2 3.17Å; N178-Y182 HydrophobicContact CB-CD2 3.99Å; N178-Y182 HydrophobicContact CB-CE1 4.16Å; N178-Y182 HydrophobicContact CB-CE2 3.39Å; N178-Y182 VanDerWaalsContact CB-CZ 3.49Å; N178-Y182 VanDerWaalsContact O-CD2 3.31Å; N178-Y182 WeakPolarHBondContact O-CD2 3.33Å; N178-Y182 PolarHBondContact O-N 3.11Å
179	Y	98.8	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-54.2	-41.6	-177.7	-89.1	17.6	0	0	0	113.8	I172 D173 K176 N181 Y182 Y183 I198 D199 I220 M223	I172-Y179 HydrophobicContact CG2-CD1 3.97Å; I172-Y179 HydrophobicContact CG2-CE1 3.86Å; D173-Y179 PolarHBondContact OD1-OH 2.82Å; K176-Y179 HydrophobicContact CD-CD1 4.33Å; K176-Y179 HydrophobicContact CD-CD2 4.33Å; K176-Y179 HydrophobicContact CD-CE1 3.59Å; K176-Y179 HydrophobicContact CD-CE2 3.6Å; K176-Y179 WeakPolarHBondContact CD-OH 3.48Å; K176-Y179 WeakPolarHBondContact CE-OH 3.27Å; K176-Y179 PolarHBondContact NZ-OH 3.34Å; K176-Y179 WeakPolarHBondContact O-CB 3.14Å; K176-Y179 PolarHBondContact O-N 3.2Å; Y179-N181 VanDerWaalsContact C-N 3.3Å; Y179-N181 PolarHBondContact O-N 3.33Å; Y179-Y182 HydrophobicContact CD1-CD2 4.06Å; Y179-Y182 PolarHBondContact O-N 2.99Å; Y179-Y183 WeakPolarHBondContact O-CB 3.4Å; Y179-Y183 PolarHBondContact O-N 2.97Å; Y179-I198 HydrophobicContact CD2-CG2 3.96Å; Y179-I198 HydrophobicContact CE2-CG2 3.75Å; Y179-D199 WeakPolarHBondContact CE2-O 3.32Å; Y179-D199 PolarHBondContact OH-O 3.1Å; Y179-I220 HydrophobicContact CD2-CG1 3.89Å; Y179-I220 HydrophobicContact CE2-CG1 4.21Å; Y179-M223 HydrophobicContact CD2-CE 3.55Å; Y179-M223 HydrophobicContact CE2-CE 4.28Å; Y179-M223 HydrophobicContact CG-CE 4.42Å
180	S	98.7	Very high	98.5	Very high	12 Å²	12	28.4 Å²	28.4	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-36.4	174.1	-71.3	0	0	0	0	113	N178 K184 M223	N178-S180 VanDerWaalsContact C-N 3.29Å; N178-S180 PolarHBondContact O-N 2.87Å; S180-K184 WeakPolarHBondContact O-CD 3.1Å; S180-K184 VanDerWaalsContact O-CG 3.25Å; S180-K184 WeakPolarHBondContact O-CG 3.22Å; S180-K184 PolarHBondContact O-N 2.91Å; S180-M223 WeakPolarHBondContact OG-CA 3.41Å; S180-M223 PolarHBondContact OG-N 2.98Å
181	N	98.8	Very high	98.5	Very high	67 Å²	67	31.3 Å²	31.3	36%	0.358	15%	0.153	S	C	.	.	H	α-helix	trans	-73.5	-46.9	178.3	-67.1	-32.2	0	0	0	110.8	V152 N178 Y179 Y183 K184 L185	V152-N181 HydrophobicContact CG2-CB 4.31Å; N178-N181 WeakPolarHBondContact O-CA 3.35Å; N178-N181 WeakPolarHBondContact O-CB 3.39Å; N178-N181 PolarHBondContact O-N 3.17Å; N178-N181 PolarHBondContact OD1-ND2 3.17Å; Y179-N181 VanDerWaalsContact C-N 3.3Å; Y179-N181 PolarHBondContact O-N 3.33Å; N181-Y183 VanDerWaalsContact C-N 3.33Å; N181-Y183 PolarHBondContact O-N 3.21Å; N181-K184 PolarHBondContact O-N 3.23Å; N181-L185 WeakPolarHBondContact O-CB 3.36Å; N181-L185 VanDerWaalsContact O-CG 3.29Å; N181-L185 WeakPolarHBondContact O-CG 3.4Å; N181-L185 PolarHBondContact O-N 2.92Å
182	Y	98.9	Very high	98.5	Very high	9 Å²	9	33.8 Å²	33.8	4%	0.035	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-47.3	174.9	-60.5	-40	0	0	0	111.4	V96 A151 V152 L155 I172 A174 D175 N178 Y179 K184 L185 C186	V96-Y182 HydrophobicContact CG1-CD1 4.04Å; V96-Y182 HydrophobicContact CG1-CD2 4.34Å; V96-Y182 HydrophobicContact CG1-CE1 4.1Å; V96-Y182 HydrophobicContact CG1-CE2 4.4Å; V96-Y182 HydrophobicContact CG1-CG 4.18Å; A151-Y182 HydrophobicContact CB-CD1 4.47Å; A151-Y182 HydrophobicContact CB-CE1 3.69Å; V152-Y182 HydrophobicContact CB-CE1 4.46Å; V152-Y182 HydrophobicContact CG2-CD1 4.01Å; V152-Y182 HydrophobicContact CG2-CE1 3.41Å; V152-Y182 VanDerWaalsContact CG2-CE1 3.41Å; L155-Y182 HydrophobicContact CD1-CD1 3.92Å; I172-Y182 HydrophobicContact CG2-CD2 3.94Å; I172-Y182 HydrophobicContact CG2-CG 4.24Å; A174-Y182 HydrophobicContact CB-CE2 3.87Å; D175-Y182 WeakPolarHBondContact OD1-CE2 3.42Å; D175-Y182 PolarHBondContact OD1-OH 2.97Å; N178-Y182 HydrophobicContact CB-CD2 3.99Å; N178-Y182 HydrophobicContact CB-CE1 4.16Å; N178-Y182 HydrophobicContact CB-CE2 3.39Å; N178-Y182 VanDerWaalsContact CB-CZ 3.49Å; N178-Y182 VanDerWaalsContact O-CD2 3.31Å; N178-Y182 WeakPolarHBondContact O-CD2 3.33Å; N178-Y182 PolarHBondContact O-N 3.11Å; Y179-Y182 HydrophobicContact CD1-CD2 4.06Å; Y179-Y182 PolarHBondContact O-N 2.99Å; Y182-K184 PolarHBondContact O-N 3.22Å; Y182-L185 PolarHBondContact O-N 3.29Å; Y182-C186 WeakPolarHBondContact O-CB 3.37Å; Y182-C186 PolarHBondContact O-N 2.78Å; Y182-C186 PolarHBondContact O-SG 3.37Å
183	Y	98.9	Very high	98.5	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-51.7	176.6	171.6	-109.1	0	0	0	112.2	Y179 N181 L185 C186 L187 I196 I198 L226 I227 D230 V247	Y179-Y183 WeakPolarHBondContact O-CB 3.4Å; Y179-Y183 PolarHBondContact O-N 2.97Å; N181-Y183 VanDerWaalsContact C-N 3.33Å; N181-Y183 PolarHBondContact O-N 3.21Å; Y183-L185 VanDerWaalsContact C-N 3.34Å; Y183-L185 PolarHBondContact O-N 2.78Å; Y183-C186 PolarHBondContact O-N 3.43Å; Y183-L187 HydrophobicContact CE1-CD2 4.37Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.31Å; Y183-L187 PolarHBondContact O-N 2.94Å; Y183-I196 HydrophobicContact CD2-CD1 4.29Å; Y183-I196 HydrophobicContact CE2-CD1 4.29Å; Y183-I198 HydrophobicContact CD2-CD1 4.12Å; Y183-L226 HydrophobicContact CD1-CD2 3.64Å; Y183-L226 HydrophobicContact CD1-CG 4.17Å; Y183-L226 HydrophobicContact CE1-CD2 4.07Å; Y183-L226 HydrophobicContact CE1-CG 4.11Å; Y183-I227 HydrophobicContact CD1-CG1 4.04Å; Y183-I227 HydrophobicContact CD2-CD1 3.9Å; Y183-I227 HydrophobicContact CD2-CG1 3.98Å; Y183-I227 HydrophobicContact CE1-CG1 3.77Å; Y183-I227 HydrophobicContact CE2-CD1 3.96Å; Y183-I227 HydrophobicContact CE2-CG1 3.73Å; Y183-I227 HydrophobicContact CG-CD1 4.24Å; Y183-I227 HydrophobicContact CG-CG1 4.12Å; Y183-D230 PolarHBondContact OH-OD2 3.48Å; Y183-V247 HydrophobicContact CE2-CG1 4.16Å; Y183-V247 HydrophobicContact CE2-CG2 4.09Å
184	K	98.8	Very high	98.5	Very high	104 Å²	104	41 Å²	41	45%	0.452	19%	0.194	S	C	.	.	H	α-helix	trans	-61	-41.3	-179.1	-73	170	-172.6	171.6	0	112.6	S180 N181 Y182 K188 L226	S180-K184 WeakPolarHBondContact O-CD 3.1Å; S180-K184 VanDerWaalsContact O-CG 3.25Å; S180-K184 WeakPolarHBondContact O-CG 3.22Å; S180-K184 PolarHBondContact O-N 2.91Å; N181-K184 PolarHBondContact O-N 3.23Å; Y182-K184 PolarHBondContact O-N 3.22Å; K184-K188 PolarHBondContact O-N 3.44Å; K184-L226 HydrophobicContact CD-CD2 4.34Å; K184-L226 VanDerWaalsContact CE-CD2 3.42Å; K184-L226 HydrophobicContact CG-CD2 4.05Å
185	L	98.9	Very high	98.6	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.068	19%	0.186	C	C	.	.	H	α-helix	trans	-71.7	-46.9	-179.8	-67.2	167.3	0	0	0	110.8	V152 L155 Q156 I159 N181 Y182 Y183 L187 K188 L189	V152-L185 HydrophobicContact CB-CD1 4.43Å; V152-L185 HydrophobicContact CG1-CD1 3.91Å; L155-L185 HydrophobicContact CB-CB 3.93Å; L155-L185 HydrophobicContact CB-CD1 3.97Å; L155-L185 HydrophobicContact CB-CG 4.46Å; L155-L185 HydrophobicContact CD1-CB 4.16Å; L155-L185 HydrophobicContact CD1-CD1 4.33Å; Q156-L185 HydrophobicContact CB-CD2 4.42Å; I159-L185 HydrophobicContact CD1-CB 4.39Å; I159-L185 HydrophobicContact CD1-CD2 3.58Å; N181-L185 WeakPolarHBondContact O-CB 3.36Å; N181-L185 VanDerWaalsContact O-CG 3.29Å; N181-L185 WeakPolarHBondContact O-CG 3.4Å; N181-L185 PolarHBondContact O-N 2.92Å; Y182-L185 PolarHBondContact O-N 3.29Å; Y183-L185 VanDerWaalsContact C-N 3.34Å; Y183-L185 PolarHBondContact O-N 2.78Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.34Å; L185-K188 WeakPolarHBondContact O-CB 3.44Å; L185-K188 PolarHBondContact O-N 2.99Å; L185-K188 VanDerWaalsContact O-N 3.12Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.36Å; L185-L189 VanDerWaalsContact O-N 3.11Å
186	C	98.9	Very high	98.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-38.4	174.9	-71.7	0	0	0	0	111.7	A170 I172 Y182 Y183 K188 L189 V190 I196	A170-C186 HydrophobicContact CB-CB 4.03Å; I172-C186 HydrophobicContact CD1-CB 4.22Å; Y182-C186 WeakPolarHBondContact O-CB 3.37Å; Y182-C186 PolarHBondContact O-N 2.78Å; Y182-C186 PolarHBondContact O-SG 3.37Å; Y183-C186 PolarHBondContact O-N 3.43Å; C186-K188 VanDerWaalsContact C-N 3.25Å; C186-K188 PolarHBondContact O-N 3.19Å; C186-L189 PolarHBondContact O-N 3.01Å; C186-V190 WeakPolarHBondContact O-CG1 3.49Å; C186-V190 WeakPolarHBondContact O-CG2 3.45Å; C186-V190 PolarHBondContact O-N 3.42Å; C186-I196 HydrophobicContact CB-CD1 3.93Å; C186-I196 HydrophobicContact CB-CG1 4.34Å; C186-I196 HydrophobicContact CB-CG2 4.42Å
187	L	98.8	Very high	98.7	Very high	27 Å²	27	36.5 Å²	36.5	14%	0.141	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-31.6	176.8	-172.1	65.7	0	0	0	113.2	Y183 L185 I196 D230 V233 K249	Y183-L187 HydrophobicContact CE1-CD2 4.37Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.31Å; Y183-L187 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.34Å; L187-I196 HydrophobicContact CB-CD1 4.11Å; L187-I196 HydrophobicContact CD1-CD1 4.23Å; L187-D230 WeakPolarHBondContact CD2-OD2 3.46Å; L187-V233 HydrophobicContact CD1-CG1 3.58Å; L187-V233 HydrophobicContact CD2-CG1 4.41Å; L187-K249 HydrophobicContact CD1-CB 4.24Å; L187-K249 HydrophobicContact CD1-CD 4.09Å; L187-K249 HydrophobicContact CD1-CG 4.09Å; L187-K249 WeakPolarHBondContact O-CD 3.42Å; L187-K249 PolarHBondContact O-NZ 3.47Å
188	K	98.7	Very high	98.8	Very high	107 Å²	107	33 Å²	33	47%	0.465	15%	0.151	S	C	.	.	H	α-helix	trans	-75.3	-35.9	172.8	-67.2	173.1	179	-179.3	0	112.1	I159 E165 K184 L185 C186	I159-K188 HydrophobicContact CD1-CB 3.89Å; I159-K188 HydrophobicContact CD1-CD 3.78Å; I159-K188 HydrophobicContact CG1-CB 4.32Å; E165-K188 PolarHBondContact N-O 3.26Å; K184-K188 PolarHBondContact O-N 3.44Å; L185-K188 WeakPolarHBondContact O-CB 3.44Å; L185-K188 PolarHBondContact O-N 2.99Å; L185-K188 VanDerWaalsContact O-N 3.12Å; C186-K188 VanDerWaalsContact C-N 3.25Å; C186-K188 PolarHBondContact O-N 3.19Å
189	L	98.9	Very high	98.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-79.5	-34.1	-177.2	-70.9	169.2	0	0	0	113.6	L94 L155 L158 I159 E163 E165 T166 F167 L185 C186	L94-L189 HydrophobicContact CD1-CB 4.12Å; L94-L189 HydrophobicContact CD1-CD1 3.91Å; L155-L189 HydrophobicContact CB-CD1 4.1Å; L155-L189 HydrophobicContact CD2-CD1 3.57Å; L155-L189 HydrophobicContact CG-CD1 4.43Å; L158-L189 HydrophobicContact CB-CD1 4.38Å; L158-L189 HydrophobicContact CB-CD2 3.7Å; L158-L189 HydrophobicContact CD1-CD1 4.12Å; I159-L189 HydrophobicContact CD1-CG 4.33Å; I159-L189 HydrophobicContact CG1-CD1 4.45Å; I159-L189 HydrophobicContact CG1-CD2 3.63Å; I159-L189 HydrophobicContact CG1-CG 3.82Å; E163-L189 HydrophobicContact CB-CD2 4.22Å; E163-L189 VanDerWaalsContact O-CD2 3.3Å; E163-L189 WeakPolarHBondContact O-CD2 3.17Å; E165-L189 CarbonylContact C-O 3.52Å; E165-L189 WeakPolarHBondContact CA-O 3.47Å; E165-L189 PolarHBondContact N-O 3.46Å; E165-L189 VanDerWaalsContact N-O 3.11Å; T166-L189 PolarHBondContact N-O 2.69Å; F167-L189 HydrophobicContact CD2-CB 3.93Å; F167-L189 HydrophobicContact CD2-CD2 4.29Å; F167-L189 HydrophobicContact CE2-CD2 4.14Å; F167-L189 PolarHBondContact N-O 2.85Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.36Å; L185-L189 VanDerWaalsContact O-N 3.11Å; C186-L189 PolarHBondContact O-N 3.01Å
190	V	98.9	Very high	98.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	140.3	178.7	-59.5	0	0	0	0	111.2	F167 A170 C186 I196 K249	F167-V190 HydrophobicContact CB-CG1 4.38Å; F167-V190 CarbonylContact O-C 3.54Å; F167-V190 VanDerWaalsContact O-CA 3.22Å; F167-V190 WeakPolarHBondContact O-CA 3.4Å; A170-V190 HydrophobicContact CB-CG1 4.05Å; C186-V190 WeakPolarHBondContact O-CG1 3.49Å; C186-V190 WeakPolarHBondContact O-CG2 3.45Å; C186-V190 PolarHBondContact O-N 3.42Å; V190-I196 HydrophobicContact CG1-CG1 4Å; V190-I196 HydrophobicContact CG2-CD1 3.98Å; V190-I196 HydrophobicContact CG2-CG1 3.97Å; V190-K249 HydrophobicContact CG2-CB 4.19Å; V190-K249 HydrophobicContact CG2-CD 3.89Å; V190-K249 VanDerWaalsContact O-CD 3.29Å; V190-K249 WeakPolarHBondContact O-CD 3.14Å; V190-K249 PolarHBondContact O-NZ 2.92Å
191	R	98.8	Very high	98.7	Very high	61 Å²	61	31.8 Å²	31.8	23%	0.23	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	162.3	176.1	65.8	166.7	172.7	75.4	1	112.3	I88 E165 F167 D168 R193 G194	I88-R191 PolarHBondContact O-NH2 3.31Å; E165-R191 VanDerWaalsContact O-CB 3.29Å; E165-R191 WeakPolarHBondContact O-CB 3.26Å; F167-R191 WeakPolarHBondContact O-CG 2.85Å; F167-R191 PolarHBondContact O-N 3.5Å; D168-R191 IonicContact OD1-CZ 3.82Å; D168-R191 IonicContact OD1-NE 2.71Å; D168-R191 PolarHBondContact OD1-NE 3.33Å; D168-R191 IonicContact OD1-NH2 2.8Å; D168-R191 PolarHBondContact OD1-NH2 2.97Å; R191-R193 PolarHBondContact NH1-O 3.01Å; R191-R193 PolarHBondContact O-N 3.29Å; R191-G194 WeakPolarHBondContact O-CA 3.13Å; R191-G194 PolarHBondContact O-N 2.86Å
192	P	98.7	Very high	98.6	Very high	55 Å²	55	30.6 Å²	30.6	36%	0.357	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	135.8	162.1	-27.2	36	0	0	0	111	G194	P192-G194 PolarHBondContact O-N 3.46Å
193	R	98.5	Very high	98.5	Very high	180 Å²	180	32.9 Å²	32.9	68%	0.679	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	63.4	10	-172.1	-43.4	172.2	57.3	72.2	3.3	115.1	R191 K249	R191-R193 PolarHBondContact NH1-O 3.01Å; R191-R193 PolarHBondContact O-N 3.29Å; R193-K249 WeakPolarHBondContact CA-O 3.32Å; R193-K249 PolarHBondContact N-O 3.07Å
194	G	98.8	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	160.4	167.4	0	0	0	0	0	110.9	D168 R191 P192 V248 K249	D168-G194 WeakPolarHBondContact O-CA 3.23Å; R191-G194 WeakPolarHBondContact O-CA 3.13Å; R191-G194 PolarHBondContact O-N 2.86Å; P192-G194 PolarHBondContact O-N 3.46Å; G194-V248 WeakPolarHBondContact O-CA 3.23Å; G194-K249 PolarHBondContact O-N 3.48Å
195	I	98.9	Very high	98.2	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.4	-172.9	-61.7	-179.5	0	0	0	110.2	L84 I88 D168 F169 A170 I246 V247 V248	L84-I195 HydrophobicContact CB-CD1 4.14Å; I88-I195 HydrophobicContact CD1-CD1 4.07Å; I88-I195 HydrophobicContact CD1-CG1 4.15Å; I88-I195 HydrophobicContact CG2-CD1 3.77Å; D168-I195 PolarHBondContact O-N 2.91Å; F169-I195 CarbonylContact C-O 3.59Å; F169-I195 WeakPolarHBondContact CA-O 3.47Å; F169-I195 HydrophobicContact CD2-CB 3.88Å; F169-I195 HydrophobicContact CD2-CG2 3.84Å; F169-I195 HydrophobicContact CE2-CG2 3.96Å; A170-I195 PolarHBondContact N-O 3.39Å; I195-I246 HydrophobicContact CG2-CG2 3.93Å; I195-V247 CarbonylContact C-O 3.59Å; I195-V247 VanDerWaalsContact CA-O 3.28Å; I195-V247 WeakPolarHBondContact CA-O 3.34Å; I195-V248 HydrophobicContact CG1-CG2 4.29Å
196	I	98.9	Very high	98.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.9	166.6	-52	170.1	0	0	0	107.1	A170 I172 Y183 C186 L187 V190 I198 V247	A170-I196 HydrophobicContact CB-CG1 4.38Å; A170-I196 HydrophobicContact CB-CG2 4.36Å; A170-I196 CarbonylContact O-C 3.59Å; A170-I196 WeakPolarHBondContact O-CA 3.46Å; I172-I196 HydrophobicContact CD1-CG2 3.64Å; I172-I196 HydrophobicContact CG1-CG2 4.25Å; Y183-I196 HydrophobicContact CD2-CD1 4.29Å; Y183-I196 HydrophobicContact CE2-CD1 4.29Å; C186-I196 HydrophobicContact CB-CD1 3.93Å; C186-I196 HydrophobicContact CB-CG1 4.34Å; C186-I196 HydrophobicContact CB-CG2 4.42Å; L187-I196 HydrophobicContact CB-CD1 4.11Å; L187-I196 HydrophobicContact CD1-CD1 4.23Å; V190-I196 HydrophobicContact CG1-CG1 4Å; V190-I196 HydrophobicContact CG2-CD1 3.98Å; V190-I196 HydrophobicContact CG2-CG1 3.97Å; I196-I198 HydrophobicContact CG2-CD1 4.4Å; I196-I198 HydrophobicContact CG2-CG1 4.03Å; I196-V247 HydrophobicContact CB-CB 4.22Å; I196-V247 PolarHBondContact N-O 3.47Å; I196-V247 PolarHBondContact O-N 3.46Å
197	A	98.9	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135	172.9	0	0	0	0	0	109.3	L81 F169 A170 M171 I172 L244 T245	L81-A197 HydrophobicContact CD1-CB 3.95Å; L81-A197 HydrophobicContact CD2-CB 3.42Å; L81-A197 VanDerWaalsContact CD2-CB 3.42Å; L81-A197 HydrophobicContact CG-CB 4.32Å; F169-A197 HydrophobicContact CE2-CB 3.9Å; F169-A197 HydrophobicContact CZ-CB 3.84Å; A170-A197 PolarHBondContact O-N 3.34Å; M171-A197 CarbonylContact C-O 3.59Å; M171-A197 WeakPolarHBondContact CA-O 3.38Å; M171-A197 HydrophobicContact SD-CB 3.63Å; I172-A197 PolarHBondContact N-O 2.82Å; A197-L244 HydrophobicContact CB-CD1 4.41Å; A197-T245 CarbonylContact C-O 3.59Å; A197-T245 WeakPolarHBondContact CA-O 3.43Å
198	I	98.8	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.8	-177.2	-44.6	178.8	0	0	0	108	I172 Y179 Y183 I196 V201 M223 I227 T245	I172-I198 HydrophobicContact CB-CB 4.49Å; I172-I198 HydrophobicContact CB-CG1 4.26Å; I172-I198 HydrophobicContact CB-CG2 4.16Å; I172-I198 HydrophobicContact CD1-CD1 4.35Å; I172-I198 HydrophobicContact CD1-CG1 4.16Å; I172-I198 HydrophobicContact CG2-CG2 4.18Å; I172-I198 WeakPolarHBondContact O-CA 3.47Å; Y179-I198 HydrophobicContact CD2-CG2 3.96Å; Y179-I198 HydrophobicContact CE2-CG2 3.75Å; Y183-I198 HydrophobicContact CD2-CD1 4.12Å; I196-I198 HydrophobicContact CG2-CD1 4.4Å; I196-I198 HydrophobicContact CG2-CG1 4.03Å; I198-V201 HydrophobicContact CB-CG1 4.04Å; I198-V201 HydrophobicContact CG2-CG1 3.85Å; I198-V201 WeakPolarHBondContact O-CG1 3.29Å; I198-M223 HydrophobicContact CD1-CG 4.48Å; I198-M223 HydrophobicContact CD1-SD 3.82Å; I198-M223 HydrophobicContact CG2-CE 3.9Å; I198-M223 HydrophobicContact CG2-SD 4.43Å; I198-I227 HydrophobicContact CD1-CD1 3.58Å; I198-T245 PolarHBondContact N-O 3.45Å; I198-T245 PolarHBondContact O-N 3.44Å
199	D	98	Very high	98	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.224	C	C	.	.			trans	-89	166.1	-177.7	-158.8	-1.9	0	0	0	112.2	I73 M171 I172 D173 Y179 V201 G243	I73-D199 WeakPolarHBondContact CG1-OD2 3.14Å; M171-D199 HydrophobicContact CE-CB 3.64Å; I172-D199 PolarHBondContact O-N 3.44Å; I172-D199 VanDerWaalsContact O-N 3.12Å; D173-D199 HydrophobicContact CB-CB 4.01Å; Y179-D199 WeakPolarHBondContact CE2-O 3.32Å; Y179-D199 PolarHBondContact OH-O 3.1Å; D199-V201 PolarHBondContact O-N 3.02Å; D199-G243 CarbonylContact C-O 3.45Å
200	N	97.2	Very high	97.8	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.171	25%	0.252	C	S	.	.			trans	55.1	31.2	174.8	-47.2	158.1	0	0	0	114.4	D173 K176 L202 W203 D242 G243	D173-N200 PolarHBondContact OD1-OD1 2.92Å; K176-N200 WeakPolarHBondContact CE-OD1 3.35Å; K176-N200 PolarHBondContact NZ-OD1 3.44Å; N200-L202 PolarHBondContact O-N 3.14Å; N200-W203 HydrophobicContact CB-CE3 3.78Å; N200-W203 HydrophobicContact CB-CZ3 3.93Å; N200-W203 PolarHBondContact O-N 3.42Å; N200-W203 VanDerWaalsContact O-N 3.14Å; N200-D242 CarbonylContact C-O 3.18Å; N200-D242 VanDerWaalsContact CA-O 3.29Å; N200-D242 WeakPolarHBondContact CA-O 3.37Å; N200-D242 HydrophobicContact CB-CB 4.47Å; N200-G243 PolarHBondContact N-O 3.5Å
201	V	98.1	Very high	97.8	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.8	-172.3	-57.4	0	0	0	0	114.2	I198 D199 I220 M223 N224 L237 D242 G243 T245	I198-V201 HydrophobicContact CB-CG1 4.04Å; I198-V201 HydrophobicContact CG2-CG1 3.85Å; I198-V201 WeakPolarHBondContact O-CG1 3.29Å; D199-V201 PolarHBondContact O-N 3.02Å; V201-I220 WeakPolarHBondContact O-CG2 3.36Å; V201-M223 HydrophobicContact CB-CE 4.29Å; V201-M223 HydrophobicContact CG1-CE 3.65Å; V201-N224 PolarHBondContact O-ND2 2.98Å; V201-L237 HydrophobicContact CG2-CD1 4.23Å; V201-L237 HydrophobicContact CG2-CG 4.16Å; V201-D242 PolarHBondContact N-O 3.19Å; V201-G243 VanDerWaalsContact CG2-C 3.46Å; V201-G243 WeakPolarHBondContact CG2-O 3.3Å; V201-G243 PolarHBondContact N-O 2.91Å; V201-T245 WeakPolarHBondContact CG2-OG1 3.49Å
202	L	97.7	Very high	97.7	Very high	41 Å²	41	55.1 Å²	55.1	22%	0.215	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-16.9	172.1	-62.3	174.6	0	0	0	112.6	N200 S204 H205 V207 L237 R239 D242	N200-L202 PolarHBondContact O-N 3.14Å; L202-S204 PolarHBondContact O-N 3.27Å; L202-H205 WeakPolarHBondContact O-CA 3.21Å; L202-H205 PolarHBondContact O-N 2.77Å; L202-V207 WeakPolarHBondContact O-CG2 3.26Å; L202-L237 HydrophobicContact CD2-CD2 4.04Å; L202-R239 HydrophobicContact CD1-CG 4.38Å; L202-D242 WeakPolarHBondContact CA-O 3.21Å; L202-D242 VanDerWaalsContact CB-O 3.3Å; L202-D242 WeakPolarHBondContact CB-O 3.5Å; L202-D242 PolarHBondContact N-O 3.08Å
203	W	96.4	Very high	97.7	Very high	58 Å²	58	58.2 Å²	58.2	22%	0.22	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	46.8	53.6	169.5	-156	-127.1	0	0	0	114.3	K176 N200 H205 R206 V207 Q216 I220 D242	K176-W203 HydrophobicContact CD-CH2 4.27Å; K176-W203 HydrophobicContact CD-CZ3 4.04Å; K176-W203 HydrophobicContact CG-CE3 4.41Å; K176-W203 HydrophobicContact CG-CH2 3.75Å; K176-W203 HydrophobicContact CG-CZ2 4.03Å; K176-W203 HydrophobicContact CG-CZ3 3.96Å; N200-W203 HydrophobicContact CB-CE3 3.78Å; N200-W203 HydrophobicContact CB-CZ3 3.93Å; N200-W203 PolarHBondContact O-N 3.42Å; N200-W203 VanDerWaalsContact O-N 3.14Å; W203-H205 PolarHBondContact O-N 3.16Å; W203-R206 WeakPolarHBondContact O-CB 3.28Å; W203-R206 WeakPolarHBondContact O-CG 3.32Å; W203-R206 PolarHBondContact O-N 2.98Å; W203-V207 HydrophobicContact CB-CG1 4.02Å; W203-Q216 HydrophobicContact CZ2-CB 3.82Å; W203-Q216 HydrophobicContact CZ2-CG 4.16Å; W203-I220 HydrophobicContact CB-CD1 3.6Å; W203-I220 HydrophobicContact CD2-CD1 3.51Å; W203-I220 HydrophobicContact CE3-CD1 3.77Å; W203-I220 HydrophobicContact CG-CD1 3.44Å; W203-I220 VanDerWaalsContact CG-CD1 3.44Å; W203-D242 VanDerWaalsContact CA-OD2 3.26Å; W203-D242 WeakPolarHBondContact CA-OD2 3.17Å; W203-D242 PolarHBondContact N-O 3.28Å
204	S	95	Very high	97.7	Very high	79 Å²	79	52 Å²	52	55%	0.552	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	55.3	37.8	-177.9	-59.9	0	0	0	0	112.7	L202 R206 D242	L202-S204 PolarHBondContact O-N 3.27Å; S204-R206 PolarHBondContact O-N 3.11Å; S204-D242 WeakPolarHBondContact CA-OD1 3.36Å; S204-D242 PolarHBondContact N-OD1 3.45Å; S204-D242 PolarHBondContact N-OD2 3.39Å; S204-D242 PolarHBondContact OG-OD2 3.36Å
205	H	96.1	Very high	97.6	Very high	116 Å²	116	55.7 Å²	55.7	54%	0.537	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	66.3	2.5	-173.9	-47.7	80.5	0	0	0	115.2	L202 W203 V207 L208	L202-H205 WeakPolarHBondContact O-CA 3.21Å; L202-H205 PolarHBondContact O-N 2.77Å; W203-H205 PolarHBondContact O-N 3.16Å; H205-V207 PolarHBondContact O-N 3.05Å; H205-L208 HydrophobicContact CB-CD1 4.17Å; H205-L208 VanDerWaalsContact O-CB 3.28Å; H205-L208 WeakPolarHBondContact O-CB 3.36Å; H205-L208 WeakPolarHBondContact O-CG 3.29Å; H205-L208 PolarHBondContact O-N 3.09Å
206	R	97.8	Very high	97.6	Very high	125 Å²	125	58 Å²	58	47%	0.472	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-61.4	-28.9	-178.7	-68.9	175.2	169.7	-103.6	5.3	113	W203 S204 L208 D209 D212 T217	W203-R206 WeakPolarHBondContact O-CB 3.28Å; W203-R206 WeakPolarHBondContact O-CG 3.32Å; W203-R206 PolarHBondContact O-N 2.98Å; S204-R206 PolarHBondContact O-N 3.11Å; R206-L208 PolarHBondContact O-N 3.11Å; R206-L208 VanDerWaalsContact O-N 3.08Å; R206-D209 PolarHBondContact O-N 2.96Å; R206-D212 WeakPolarHBondContact CB-OD2 3.46Å; R206-D212 WeakPolarHBondContact CD-OD2 3.4Å; R206-D212 IonicContact CZ-OD2 2.89Å; R206-D212 IonicContact NH1-OD2 2.65Å; R206-D212 PolarHBondContact NH1-OD2 3.02Å; R206-T217 HydrophobicContact CB-CG2 3.92Å; R206-T217 WeakPolarHBondContact O-CG2 3.13Å
207	V	97.7	Very high	97.6	Very high	24 Å²	24	57.9 Å²	57.9	15%	0.145	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.5	-19.2	174.2	-58.6	0	0	0	0	113.3	L202 W203 H205 I220 R221	L202-V207 WeakPolarHBondContact O-CG2 3.26Å; W203-V207 HydrophobicContact CB-CG1 4.02Å; H205-V207 PolarHBondContact O-N 3.05Å; V207-I220 HydrophobicContact CG1-CB 4.24Å; V207-I220 HydrophobicContact CG1-CG2 3.58Å; V207-R221 HydrophobicContact CB-CG 4.12Å; V207-R221 HydrophobicContact CG1-CG 4.37Å
208	L	97.5	Very high	97.6	Very high	128 Å²	128	59.8 Å²	59.8	67%	0.67	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-84.5	-20.3	177.3	-55.8	179.9	0	0	0	113.2	H205 R206 P210	H205-L208 HydrophobicContact CB-CD1 4.17Å; H205-L208 VanDerWaalsContact O-CB 3.28Å; H205-L208 WeakPolarHBondContact O-CB 3.36Å; H205-L208 WeakPolarHBondContact O-CG 3.29Å; H205-L208 PolarHBondContact O-N 3.09Å; R206-L208 PolarHBondContact O-N 3.11Å; R206-L208 VanDerWaalsContact O-N 3.08Å; L208-P210 WeakPolarHBondContact O-CD 3.3Å
209	D	97.6	Very high	97.6	Very high	74 Å²	74	59.9 Å²	59.9	40%	0.396	32%	0.321	S	S	.	.			trans	-84.8	107.6	178.1	-175.3	-2.5	0	0	0	109.5	R206 N211 D212	R206-D209 PolarHBondContact O-N 2.96Å; D209-N211 PolarHBondContact O-N 3.09Å; D209-N211 VanDerWaalsContact O-N 3.08Å; D209-N211 WeakPolarHBondContact OD1-CB 3.48Å; D209-N211 PolarHBondContact OD1-N 3.43Å; D209-N211 PolarHBondContact OD1-ND2 3.48Å; D209-D212 HydrophobicContact CB-CB 4.13Å; D209-D212 PolarHBondContact O-N 2.98Å; D209-D212 VanDerWaalsContact O-N 3.16Å
210	P	96.1	Very high	97.6	Very high	90 Å²	90	59.9 Å²	59.9	58%	0.584	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.2	180	28	-35.5	0	0	0	112.8	L208	L208-P210 WeakPolarHBondContact O-CD 3.3Å
211	N	97.9	Very high	97.7	Very high	123 Å²	123	61 Å²	61	66%	0.658	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.6	-179	-50.8	-70.4	0	0	0	113.6	D209 N213	D209-N211 PolarHBondContact O-N 3.09Å; D209-N211 VanDerWaalsContact O-N 3.08Å; D209-N211 WeakPolarHBondContact OD1-CB 3.48Å; D209-N211 PolarHBondContact OD1-N 3.43Å; D209-N211 PolarHBondContact OD1-ND2 3.48Å; N211-N213 PolarHBondContact O-N 3.43Å; N211-N213 VanDerWaalsContact O-N 3.09Å; N211-N213 PolarHBondContact O-ND2 3.2Å; N211-N213 VanDerWaalsContact O-ND2 3.11Å
212	D	97.7	Very high	97.7	Very high	22 Å²	22	66 Å²	66	12%	0.118	35%	0.346	C	S	.	.			trans	-76.8	97.4	174.7	-172.3	-14.5	0	0	0	110	R206 D209 C214 T217 R221	R206-D212 WeakPolarHBondContact CB-OD2 3.46Å; R206-D212 WeakPolarHBondContact CD-OD2 3.4Å; R206-D212 IonicContact CZ-OD2 2.89Å; R206-D212 IonicContact NH1-OD2 2.65Å; R206-D212 PolarHBondContact NH1-OD2 3.02Å; D209-D212 HydrophobicContact CB-CB 4.13Å; D209-D212 PolarHBondContact O-N 2.98Å; D209-D212 VanDerWaalsContact O-N 3.16Å; D212-C214 WeakPolarHBondContact OD1-CB 3.35Å; D212-C214 PolarHBondContact OD1-N 2.91Å; D212-T217 HydrophobicContact CB-CG2 4.04Å; D212-T217 PolarHBondContact OD1-OG1 3.33Å; D212-T217 PolarHBondContact OD2-OG1 3.38Å; D212-R221 PolarHBondContact O-NH2 3.28Å
213	N	97.8	Very high	97.7	Very high	119 Å²	119	64 Å²	64	64%	0.636	34%	0.336	S	S	*	.			trans	-98	19.5	179.2	-63.7	-62.1	0	0	0	112.8	N211	N211-N213 PolarHBondContact O-N 3.43Å; N211-N213 VanDerWaalsContact O-N 3.09Å; N211-N213 PolarHBondContact O-ND2 3.2Å; N211-N213 VanDerWaalsContact O-ND2 3.11Å
214	C	98	Very high	97.8	Very high	49 Å²	49	62.9 Å²	62.9	33%	0.331	33%	0.334	S	S	.	.			trans	-59.9	136.5	172.6	-160.2	0	0	0	0	109.4	D212 Q216 T217 V218	D212-C214 WeakPolarHBondContact OD1-CB 3.35Å; D212-C214 PolarHBondContact OD1-N 2.91Å; C214-Q216 PolarHBondContact O-N 2.89Å; C214-Q216 VanDerWaalsContact O-N 3.09Å; C214-Q216 PolarHBondContact SG-OE1 3.17Å; C214-T217 PolarHBondContact O-N 3.4Å; C214-V218 PolarHBondContact O-N 3.46Å
215	P	98.3	Very high	98	Very high	78 Å²	78	65.8 Å²	65.8	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-51.2	-39.3	-174.4	-31.2	36.7	0	0	0	114.3	E177 V218 G219	E177-P215 HydrophobicContact CG-CB 3.55Å; P215-V218 PolarHBondContact O-N 2.92Å; P215-G219 PolarHBondContact O-N 3.29Å
216	Q	98.3	Very high	98.1	Very high	56 Å²	56	63 Å²	63	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-47.5	177.2	-60.7	82.3	4	0	0	112.1	K176 E177 W203 C214 V218 G219 I220	K176-Q216 HydrophobicContact CB-CB 3.69Å; K176-Q216 HydrophobicContact CB-CG 3.98Å; K176-Q216 HydrophobicContact CG-CB 4.06Å; K176-Q216 HydrophobicContact CG-CG 4.19Å; E177-Q216 PolarHBondContact OE1-NE2 3.2Å; W203-Q216 HydrophobicContact CZ2-CB 3.82Å; W203-Q216 HydrophobicContact CZ2-CG 4.16Å; C214-Q216 PolarHBondContact O-N 2.89Å; C214-Q216 VanDerWaalsContact O-N 3.09Å; C214-Q216 PolarHBondContact SG-OE1 3.17Å; Q216-V218 VanDerWaalsContact C-N 3.32Å; Q216-V218 PolarHBondContact O-N 3.42Å; Q216-G219 PolarHBondContact O-N 3.19Å; Q216-I220 VanDerWaalsContact O-CG1 3.31Å; Q216-I220 WeakPolarHBondContact O-CG1 3.46Å; Q216-I220 PolarHBondContact O-N 2.79Å
217	T	98.4	Very high	98.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-40.2	178.7	-53.3	0	0	0	0	111.2	R206 D212 C214 R221	R206-T217 HydrophobicContact CB-CG2 3.92Å; R206-T217 WeakPolarHBondContact O-CG2 3.13Å; D212-T217 HydrophobicContact CB-CG2 4.04Å; D212-T217 PolarHBondContact OD1-OG1 3.33Å; D212-T217 PolarHBondContact OD2-OG1 3.38Å; C214-T217 PolarHBondContact O-N 3.4Å; T217-R221 WeakPolarHBondContact O-CG 3.48Å; T217-R221 PolarHBondContact O-N 3.44Å; T217-R221 VanDerWaalsContact O-N 3.08Å
218	V	98.4	Very high	98.2	Very high	41 Å²	41	60.3 Å²	60.3	25%	0.248	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-49.7	175.6	175.2	0	0	0	0	110.7	C214 P215 Q216 I220 R221 E222	C214-V218 PolarHBondContact O-N 3.46Å; P215-V218 PolarHBondContact O-N 2.92Å; Q216-V218 VanDerWaalsContact C-N 3.32Å; Q216-V218 PolarHBondContact O-N 3.42Å; V218-I220 VanDerWaalsContact C-N 3.29Å; V218-I220 PolarHBondContact O-N 2.96Å; V218-R221 PolarHBondContact O-N 2.85Å; V218-R221 VanDerWaalsContact O-N 3.13Å; V218-E222 HydrophobicContact CG1-CG 4.3Å; V218-E222 WeakPolarHBondContact O-CG 3.5Å; V218-E222 PolarHBondContact O-N 3Å
219	G	98.6	Very high	98.2	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-38.7	179.3	0	0	0	0	0	113.4	P215 Q216 M223	P215-G219 PolarHBondContact O-N 3.29Å; Q216-G219 PolarHBondContact O-N 3.19Å; G219-M223 WeakPolarHBondContact O-CB 3.38Å; G219-M223 PolarHBondContact O-N 3.14Å
220	I	98.7	Very high	98.3	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.3	-43.3	175.9	-66.1	167.4	0	0	0	111.5	K176 Y179 V201 W203 V207 Q216 V218 M223 N224	K176-I220 HydrophobicContact CB-CD1 3.94Å; K176-I220 HydrophobicContact CB-CG1 3.96Å; K176-I220 HydrophobicContact CD-CD1 4.21Å; K176-I220 HydrophobicContact CG-CD1 4Å; K176-I220 HydrophobicContact CG-CG1 4.49Å; Y179-I220 HydrophobicContact CD2-CG1 3.89Å; Y179-I220 HydrophobicContact CE2-CG1 4.21Å; V201-I220 WeakPolarHBondContact O-CG2 3.36Å; W203-I220 HydrophobicContact CB-CD1 3.6Å; W203-I220 HydrophobicContact CD2-CD1 3.51Å; W203-I220 HydrophobicContact CE3-CD1 3.77Å; W203-I220 HydrophobicContact CG-CD1 3.44Å; W203-I220 VanDerWaalsContact CG-CD1 3.44Å; V207-I220 HydrophobicContact CG1-CB 4.24Å; V207-I220 HydrophobicContact CG1-CG2 3.58Å; Q216-I220 VanDerWaalsContact O-CG1 3.31Å; Q216-I220 WeakPolarHBondContact O-CG1 3.46Å; Q216-I220 PolarHBondContact O-N 2.79Å; V218-I220 VanDerWaalsContact C-N 3.29Å; V218-I220 PolarHBondContact O-N 2.96Å; I220-M223 HydrophobicContact CG2-CE 4.32Å; I220-M223 PolarHBondContact O-N 2.84Å; I220-N224 WeakPolarHBondContact O-CB 3.49Å; I220-N224 PolarHBondContact O-N 2.65Å; I220-N224 PolarHBondContact O-ND2 3Å
221	R	98.6	Very high	98.3	Very high	55 Å²	55	57.2 Å²	57.2	21%	0.208	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-47.6	176.1	-78.7	-168.5	-73.3	170	-6	111.4	V207 D212 T217 V218 M223 N224 E225	V207-R221 HydrophobicContact CB-CG 4.12Å; V207-R221 HydrophobicContact CG1-CG 4.37Å; D212-R221 PolarHBondContact O-NH2 3.28Å; T217-R221 WeakPolarHBondContact O-CG 3.48Å; T217-R221 PolarHBondContact O-N 3.44Å; T217-R221 VanDerWaalsContact O-N 3.08Å; V218-R221 PolarHBondContact O-N 2.85Å; V218-R221 VanDerWaalsContact O-N 3.13Å; R221-M223 VanDerWaalsContact C-N 3.32Å; R221-M223 PolarHBondContact O-N 3.31Å; R221-N224 PolarHBondContact O-N 3.41Å; R221-E225 WeakPolarHBondContact O-CB 3.32Å; R221-E225 WeakPolarHBondContact O-CG 3.18Å; R221-E225 PolarHBondContact O-N 3.48Å
222	E	98.6	Very high	98.3	Very high	106 Å²	106	55.2 Å²	55.2	50%	0.495	32%	0.32	S	S	.	.	H	α-helix	trans	-59.4	-42.9	177.3	-71.6	-179.7	172.4	0	0	112	V218 L226	V218-E222 HydrophobicContact CG1-CG 4.3Å; V218-E222 WeakPolarHBondContact O-CG 3.5Å; V218-E222 PolarHBondContact O-N 3Å; E222-L226 VanDerWaalsContact O-CB 3.22Å; E222-L226 WeakPolarHBondContact O-CB 3.08Å; E222-L226 PolarHBondContact O-N 3.1Å
223	M	98.8	Very high	98.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-43.9	177.4	174.8	-85.2	-61.8	0	0	111.6	Y179 S180 I198 V201 G219 I220 R221 E225 L226 I227	Y179-M223 HydrophobicContact CD2-CE 3.55Å; Y179-M223 HydrophobicContact CE2-CE 4.28Å; Y179-M223 HydrophobicContact CG-CE 4.42Å; S180-M223 WeakPolarHBondContact OG-CA 3.41Å; S180-M223 PolarHBondContact OG-N 2.98Å; I198-M223 HydrophobicContact CD1-CG 4.48Å; I198-M223 HydrophobicContact CD1-SD 3.82Å; I198-M223 HydrophobicContact CG2-CE 3.9Å; I198-M223 HydrophobicContact CG2-SD 4.43Å; V201-M223 HydrophobicContact CB-CE 4.29Å; V201-M223 HydrophobicContact CG1-CE 3.65Å; G219-M223 WeakPolarHBondContact O-CB 3.38Å; G219-M223 PolarHBondContact O-N 3.14Å; I220-M223 HydrophobicContact CG2-CE 4.32Å; I220-M223 PolarHBondContact O-N 2.84Å; R221-M223 VanDerWaalsContact C-N 3.32Å; R221-M223 PolarHBondContact O-N 3.31Å; M223-E225 PolarHBondContact O-N 3.46Å; M223-L226 WeakPolarHBondContact O-CB 3.36Å; M223-L226 PolarHBondContact O-N 3.02Å; M223-I227 HydrophobicContact CG-CD1 4.12Å; M223-I227 WeakPolarHBondContact O-CG1 3.25Å; M223-I227 PolarHBondContact O-N 3.04Å; M223-I227 HydrophobicContact SD-CD1 3.37Å; M223-I227 WeakPolarHBondContact SD-CD1 3.41Å; M223-I227 HydrophobicContact SD-CG1 4.3Å
224	N	98.7	Very high	98.4	Very high	33 Å²	33	57.4 Å²	57.4	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-44.1	176.7	-77.7	-26.9	0	0	0	111.7	V201 I220 R221 I227 A228	V201-N224 PolarHBondContact O-ND2 2.98Å; I220-N224 WeakPolarHBondContact O-CB 3.49Å; I220-N224 PolarHBondContact O-N 2.65Å; I220-N224 PolarHBondContact O-ND2 3Å; R221-N224 PolarHBondContact O-N 3.41Å; N224-I227 PolarHBondContact O-N 2.87Å; N224-A228 VanDerWaalsContact O-CB 3.31Å; N224-A228 WeakPolarHBondContact O-CB 3.39Å; N224-A228 PolarHBondContact O-N 3.06Å
225	E	98.5	Very high	98.4	Very high	141 Å²	141	58.5 Å²	58.5	66%	0.659	32%	0.324	S	S	*	.	H	α-helix	trans	-63	-42.9	175.7	-74.3	177.5	-171.9	0	0	111.9	R221 M223 A228 G229	R221-E225 WeakPolarHBondContact O-CB 3.32Å; R221-E225 WeakPolarHBondContact O-CG 3.18Å; R221-E225 PolarHBondContact O-N 3.48Å; M223-E225 PolarHBondContact O-N 3.46Å; E225-A228 PolarHBondContact O-N 3.25Å; E225-G229 PolarHBondContact O-N 3.17Å; E225-G229 VanDerWaalsContact O-N 3.11Å
226	L	98.6	Very high	98.4	Very high	58 Å²	58	57.9 Å²	57.9	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-49.2	176.7	176.2	65.9	0	0	0	111.7	Y183 K184 E222 M223 G229 D230	Y183-L226 HydrophobicContact CD1-CD2 3.64Å; Y183-L226 HydrophobicContact CD1-CG 4.17Å; Y183-L226 HydrophobicContact CE1-CD2 4.07Å; Y183-L226 HydrophobicContact CE1-CG 4.11Å; K184-L226 HydrophobicContact CD-CD2 4.34Å; K184-L226 VanDerWaalsContact CE-CD2 3.42Å; K184-L226 HydrophobicContact CG-CD2 4.05Å; E222-L226 VanDerWaalsContact O-CB 3.22Å; E222-L226 WeakPolarHBondContact O-CB 3.08Å; E222-L226 PolarHBondContact O-N 3.1Å; M223-L226 WeakPolarHBondContact O-CB 3.36Å; M223-L226 PolarHBondContact O-N 3.02Å; L226-G229 PolarHBondContact O-N 3.22Å; L226-D230 PolarHBondContact O-N 3.48Å
227	I	98.7	Very high	98.4	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-66.4	-40.5	179.6	-65.3	175.1	0	0	0	110.9	Y183 I198 M223 N224 G229 D230 V235 T245 V247	Y183-I227 HydrophobicContact CD1-CG1 4.04Å; Y183-I227 HydrophobicContact CD2-CD1 3.9Å; Y183-I227 HydrophobicContact CD2-CG1 3.98Å; Y183-I227 HydrophobicContact CE1-CG1 3.77Å; Y183-I227 HydrophobicContact CE2-CD1 3.96Å; Y183-I227 HydrophobicContact CE2-CG1 3.73Å; Y183-I227 HydrophobicContact CG-CD1 4.24Å; Y183-I227 HydrophobicContact CG-CG1 4.12Å; I198-I227 HydrophobicContact CD1-CD1 3.58Å; M223-I227 HydrophobicContact CG-CD1 4.12Å; M223-I227 WeakPolarHBondContact O-CG1 3.25Å; M223-I227 PolarHBondContact O-N 3.04Å; M223-I227 HydrophobicContact SD-CD1 3.37Å; M223-I227 WeakPolarHBondContact SD-CD1 3.41Å; M223-I227 HydrophobicContact SD-CG1 4.3Å; N224-I227 PolarHBondContact O-N 2.87Å; I227-G229 PolarHBondContact O-N 3.18Å; I227-D230 PolarHBondContact O-N 2.91Å; I227-D230 VanDerWaalsContact O-N 3.07Å; I227-V235 HydrophobicContact CG2-CB 4.1Å; I227-V235 HydrophobicContact CG2-CG2 3.64Å; I227-T245 HydrophobicContact CD1-CG2 4.06Å; I227-V247 HydrophobicContact CD1-CG2 4.06Å; I227-V247 HydrophobicContact CG2-CG2 3.94Å
228	A	98.5	Very high	98.4	Very high	86 Å²	86	62.5 Å²	62.5	71%	0.711	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-32.7	178.3	0	0	0	0	0	112.4	N224 E225	N224-A228 VanDerWaalsContact O-CB 3.31Å; N224-A228 WeakPolarHBondContact O-CB 3.39Å; N224-A228 PolarHBondContact O-N 3.06Å; E225-A228 PolarHBondContact O-N 3.25Å
229	G	98.2	Very high	98	Very high	54 Å²	54	68.5 Å²	68.5	56%	0.557	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.2	175.2	0	0	0	0	0	115.3	E225 L226 I227 N231	E225-G229 PolarHBondContact O-N 3.17Å; E225-G229 VanDerWaalsContact O-N 3.11Å; L226-G229 PolarHBondContact O-N 3.22Å; I227-G229 PolarHBondContact O-N 3.18Å; G229-N231 PolarHBondContact O-N 2.87Å
230	D	98.2	Very high	97.7	Very high	36 Å²	36	70 Å²	70	19%	0.193	38%	0.375	C	S	.	.			trans	-82.9	104.7	-173.2	-167	-15.2	0	0	0	112.4	Y183 L187 L226 I227 C232 V233	Y183-D230 PolarHBondContact OH-OD2 3.48Å; L187-D230 WeakPolarHBondContact CD2-OD2 3.46Å; L226-D230 PolarHBondContact O-N 3.48Å; I227-D230 PolarHBondContact O-N 2.91Å; I227-D230 VanDerWaalsContact O-N 3.07Å; D230-C232 VanDerWaalsContact C-N 3.26Å; D230-C232 PolarHBondContact O-N 3.39Å; D230-C232 WeakPolarHBondContact OD1-CA 3.48Å; D230-C232 WeakPolarHBondContact OD1-CB 3.42Å; D230-C232 PolarHBondContact OD1-N 2.65Å; D230-V233 HydrophobicContact CB-CG2 4.04Å; D230-V233 WeakPolarHBondContact O-CG2 3.48Å
231	N	97.7	Very high	97.3	Very high	137 Å²	137	72.7 Å²	72.7	73%	0.733	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-7	177.8	-71.7	-60.2	0	0	0	114.2	G229 V233 K250	G229-N231 PolarHBondContact O-N 2.87Å; N231-V233 VanDerWaalsContact C-N 3.28Å; N231-K250 WeakPolarHBondContact O-CD 3.45Å; N231-K250 PolarHBondContact O-NZ 2.73Å
232	C	97.4	Very high	97.1	Very high	81 Å²	81	72 Å²	72	55%	0.547	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.5	177.6	-62.7	0	0	0	0	112.9	D230 K250	D230-C232 VanDerWaalsContact C-N 3.26Å; D230-C232 PolarHBondContact O-N 3.39Å; D230-C232 WeakPolarHBondContact OD1-CA 3.48Å; D230-C232 WeakPolarHBondContact OD1-CB 3.42Å; D230-C232 PolarHBondContact OD1-N 2.65Å; C232-K250 VanDerWaalsContact O-CB 3.24Å; C232-K250 WeakPolarHBondContact O-CB 3.48Å; C232-K250 WeakPolarHBondContact O-CG 3.42Å; C232-K250 PolarHBondContact O-N 2.67Å
233	V	98.8	Very high	97	Very high	9 Å²	9	67 Å²	67	6%	0.055	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	166.2	-175.5	-54.5	0	0	0	0	113.2	L187 D230 N231 V247 V248 K250	L187-V233 HydrophobicContact CD1-CG1 3.58Å; L187-V233 HydrophobicContact CD2-CG1 4.41Å; D230-V233 HydrophobicContact CB-CG2 4.04Å; D230-V233 WeakPolarHBondContact O-CG2 3.48Å; N231-V233 VanDerWaalsContact C-N 3.28Å; V233-V247 HydrophobicContact CB-CG1 3.45Å; V233-V247 VanDerWaalsContact CB-CG1 3.45Å; V233-V247 HydrophobicContact CG1-CG1 3.58Å; V233-V247 HydrophobicContact CG2-CG1 3.73Å; V233-V248 CarbonylContact C-O 3.56Å; V233-V248 WeakPolarHBondContact CA-O 3.47Å; V233-K250 WeakPolarHBondContact O-CE 3.32Å; V233-K250 PolarHBondContact O-NZ 3.48Å
234	R	98.7	Very high	96.9	Very high	179 Å²	179	67 Å²	67	68%	0.675	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	142.9	160.2	-56.5	179	62.8	79.5	3.6	107.4	V247 V248 K250	R234-V247 CarbonylContact O-C 3.33Å; R234-V247 WeakPolarHBondContact O-CA 3.3Å; R234-V248 HydrophobicContact CB-CB 4.34Å; R234-V248 PolarHBondContact N-O 3.13Å; R234-V248 PolarHBondContact O-N 3.34Å; R234-K250 HydrophobicContact CG-CG 4.46Å
235	V	98.5	Very high	96.9	Very high	72 Å²	72	65.5 Å²	65.5	44%	0.436	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.3	-174.8	62.1	0	0	0	0	111.7	I227 T245 I246 V247	I227-V235 HydrophobicContact CG2-CB 4.1Å; I227-V235 HydrophobicContact CG2-CG2 3.64Å; V235-T245 HydrophobicContact CG2-CG2 3.86Å; V235-I246 CarbonylContact C-O 3.5Å; V235-I246 WeakPolarHBondContact CA-O 3.37Å; V235-V247 HydrophobicContact CG2-CG2 4.46Å
236	S	98.5	Very high	97	Very high	65 Å²	65	59.7 Å²	59.7	46%	0.455	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	122.7	164.1	-64.3	0	0	0	0	108.5	T245 I246	S236-T245 WeakPolarHBondContact O-CA 3.48Å; S236-I246 PolarHBondContact N-O 3.46Å; S236-I246 PolarHBondContact O-N 3.25Å
237	L	98.1	Very high	97	Very high	89 Å²	89	57 Å²	57	47%	0.466	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.3	172.8	-173	154.6	0	0	0	107.9	V201 L202	V201-L237 HydrophobicContact CG2-CD1 4.23Å; V201-L237 HydrophobicContact CG2-CG 4.16Å; L202-L237 HydrophobicContact CD2-CD2 4.04Å
238	L	96.7	Very high	97	Very high	63 Å²	63	58.9 Å²	58.9	33%	0.33	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.1	-169.3	-58.9	175.6	0	0	0	110.7	L80 T240 G243 L244 I246	L80-L238 HydrophobicContact CD2-CD1 4.15Å; L238-T240 HydrophobicContact CB-CG2 4.08Å; L238-T240 PolarHBondContact O-N 3.32Å; L238-G243 WeakPolarHBondContact O-CA 3.25Å; L238-L244 HydrophobicContact CB-CB 4.48Å; L238-L244 HydrophobicContact CD1-CD2 4.45Å; L238-L244 PolarHBondContact N-O 3.47Å; L238-L244 PolarHBondContact O-N 3.41Å; L238-L244 VanDerWaalsContact O-N 3.08Å; L238-I246 HydrophobicContact CD1-CD1 3.86Å; L238-I246 HydrophobicContact CD1-CG1 4.49Å
239	R	91.9	Very high	97	Very high	168 Å²	168	56.1 Å²	56.1	63%	0.634	31%	0.314	S	S	*	.			trans	-82.9	63	167.2	-167.1	-171.8	-178.4	-179.8	4	110.2	L202	L202-R239 HydrophobicContact CD1-CG 4.38Å
240	T	90.5	Very high	97	Very high	34 Å²	34	60.3 Å²	60.3	21%	0.209	32%	0.317	C	S	.	.	S	Bend	trans	-120.5	149.7	167.8	-163.4	0	0	0	0	107.6	E77 L238 D242 G243 L244	E77-T240 HydrophobicContact CG-CG2 3.56Å; E77-T240 VanDerWaalsContact OE1-C 3.31Å; E77-T240 VanDerWaalsContact OE1-O 3.11Å; L238-T240 HydrophobicContact CB-CG2 4.08Å; L238-T240 PolarHBondContact O-N 3.32Å; T240-D242 PolarHBondContact O-N 3.17Å; T240-G243 CarbonylContact O-C 3.54Å; T240-G243 VanDerWaalsContact O-CA 3.26Å; T240-G243 WeakPolarHBondContact O-CA 3.29Å; T240-G243 PolarHBondContact O-N 3.03Å; T240-L244 HydrophobicContact CG2-CB 3.55Å; T240-L244 HydrophobicContact CG2-CD2 3.97Å; T240-L244 HydrophobicContact CG2-CG 4.42Å
241	G	90.4	Very high	96.9	Very high	55 Å²	55	61.6 Å²	61.6	57%	0.567	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-136.1	-169.6	0	0	0	0	0	112.6	E77 G243	E77-G241 WeakPolarHBondContact OE1-CA 3.46Å; E77-G241 PolarHBondContact OE1-N 2.94Å; G241-G243 PolarHBondContact O-N 3.29Å
242	D	94.6	Very high	96.9	Very high	42 Å²	42	57.6 Å²	57.6	23%	0.225	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	30.7	169.7	-161.8	23.2	0	0	0	112.2	N200 V201 L202 W203 S204 T240	N200-D242 CarbonylContact C-O 3.18Å; N200-D242 VanDerWaalsContact CA-O 3.29Å; N200-D242 WeakPolarHBondContact CA-O 3.37Å; N200-D242 HydrophobicContact CB-CB 4.47Å; V201-D242 PolarHBondContact N-O 3.19Å; L202-D242 WeakPolarHBondContact CA-O 3.21Å; L202-D242 VanDerWaalsContact CB-O 3.3Å; L202-D242 WeakPolarHBondContact CB-O 3.5Å; L202-D242 PolarHBondContact N-O 3.08Å; W203-D242 VanDerWaalsContact CA-OD2 3.26Å; W203-D242 WeakPolarHBondContact CA-OD2 3.17Å; W203-D242 PolarHBondContact N-O 3.28Å; S204-D242 WeakPolarHBondContact CA-OD1 3.36Å; S204-D242 PolarHBondContact N-OD1 3.45Å; S204-D242 PolarHBondContact N-OD2 3.39Å; S204-D242 PolarHBondContact OG-OD2 3.36Å; T240-D242 PolarHBondContact O-N 3.17Å
243	G	96.6	Very high	96.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.			trans	100.6	125.5	-179.8	0	0	0	0	0	112.9	D199 N200 V201 L238 T240 G241	D199-G243 CarbonylContact C-O 3.45Å; N200-G243 PolarHBondContact N-O 3.5Å; V201-G243 VanDerWaalsContact CG2-C 3.46Å; V201-G243 WeakPolarHBondContact CG2-O 3.3Å; V201-G243 PolarHBondContact N-O 2.91Å; L238-G243 WeakPolarHBondContact O-CA 3.25Å; T240-G243 CarbonylContact O-C 3.54Å; T240-G243 VanDerWaalsContact O-CA 3.26Å; T240-G243 WeakPolarHBondContact O-CA 3.29Å; T240-G243 PolarHBondContact O-N 3.03Å; G241-G243 PolarHBondContact O-N 3.29Å
244	L	98.2	Very high	96.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.9	174.3	-178.2	69.8	0	0	0	110.5	E77 L80 L81 A197 L238 T240 I246	E77-L244 HydrophobicContact CG-CD2 4.25Å; L80-L244 HydrophobicContact CD2-CD2 4.08Å; L81-L244 HydrophobicContact CD1-CD1 4.41Å; L81-L244 HydrophobicContact CD2-CD2 4.18Å; A197-L244 HydrophobicContact CB-CD1 4.41Å; L238-L244 HydrophobicContact CB-CB 4.48Å; L238-L244 HydrophobicContact CD1-CD2 4.45Å; L238-L244 PolarHBondContact N-O 3.47Å; L238-L244 PolarHBondContact O-N 3.41Å; L238-L244 VanDerWaalsContact O-N 3.08Å; T240-L244 HydrophobicContact CG2-CB 3.55Å; T240-L244 HydrophobicContact CG2-CD2 3.97Å; T240-L244 HydrophobicContact CG2-CG 4.42Å; L244-I246 HydrophobicContact CD2-CD1 4.08Å; L244-I246 HydrophobicContact CD2-CG1 4.09Å; L244-I246 HydrophobicContact CG-CG1 4.14Å
245	T	98.7	Very high	96.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.3	168.6	-70.7	0	0	0	0	109.8	A197 I198 V201 I227 V235 S236 V247	A197-T245 CarbonylContact C-O 3.59Å; A197-T245 WeakPolarHBondContact CA-O 3.43Å; I198-T245 PolarHBondContact N-O 3.45Å; I198-T245 PolarHBondContact O-N 3.44Å; V201-T245 WeakPolarHBondContact CG2-OG1 3.49Å; I227-T245 HydrophobicContact CD1-CG2 4.06Å; V235-T245 HydrophobicContact CG2-CG2 3.86Å; S236-T245 WeakPolarHBondContact O-CA 3.48Å; T245-V247 HydrophobicContact CG2-CG2 3.83Å
246	I	98.8	Very high	96.5	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.097	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.6	172.1	-57.7	177.7	0	0	0	108.3	L80 L84 I195 V235 S236 L238 L244	L80-I246 HydrophobicContact CD2-CD1 4.06Å; L84-I246 HydrophobicContact CD1-CD1 3.79Å; L84-I246 HydrophobicContact CD1-CG2 4.46Å; I195-I246 HydrophobicContact CG2-CG2 3.93Å; V235-I246 CarbonylContact C-O 3.5Å; V235-I246 WeakPolarHBondContact CA-O 3.37Å; S236-I246 PolarHBondContact N-O 3.46Å; S236-I246 PolarHBondContact O-N 3.25Å; L238-I246 HydrophobicContact CD1-CD1 3.86Å; L238-I246 HydrophobicContact CD1-CG1 4.49Å; L244-I246 HydrophobicContact CD2-CD1 4.08Å; L244-I246 HydrophobicContact CD2-CG1 4.09Å; L244-I246 HydrophobicContact CG-CG1 4.14Å
247	V	98.8	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.2	175.2	-176.8	0	0	0	0	109.3	Y183 I195 I196 I227 V233 R234 V235 T245	Y183-V247 HydrophobicContact CE2-CG1 4.16Å; Y183-V247 HydrophobicContact CE2-CG2 4.09Å; I195-V247 CarbonylContact C-O 3.59Å; I195-V247 VanDerWaalsContact CA-O 3.28Å; I195-V247 WeakPolarHBondContact CA-O 3.34Å; I196-V247 HydrophobicContact CB-CB 4.22Å; I196-V247 PolarHBondContact N-O 3.47Å; I196-V247 PolarHBondContact O-N 3.46Å; I227-V247 HydrophobicContact CD1-CG2 4.06Å; I227-V247 HydrophobicContact CG2-CG2 3.94Å; V233-V247 HydrophobicContact CB-CG1 3.45Å; V233-V247 VanDerWaalsContact CB-CG1 3.45Å; V233-V247 HydrophobicContact CG1-CG1 3.58Å; V233-V247 HydrophobicContact CG2-CG1 3.73Å; R234-V247 CarbonylContact O-C 3.33Å; R234-V247 WeakPolarHBondContact O-CA 3.3Å; V235-V247 HydrophobicContact CG2-CG2 4.46Å; T245-V247 HydrophobicContact CG2-CG2 3.83Å
248	V	98.9	Very high	96.2	Very high	45 Å²	45	46.1 Å²	46.1	27%	0.273	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118	170.2	-172.7	0	0	0	0	108.3	G194 I195 V233 R234	G194-V248 WeakPolarHBondContact O-CA 3.23Å; I195-V248 HydrophobicContact CG1-CG2 4.29Å; V233-V248 CarbonylContact C-O 3.56Å; V233-V248 WeakPolarHBondContact CA-O 3.47Å; R234-V248 HydrophobicContact CB-CB 4.34Å; R234-V248 PolarHBondContact N-O 3.13Å; R234-V248 PolarHBondContact O-N 3.34Å
249	K	98.8	Very high	96.2	Very high	29 Å²	29	44.7 Å²	44.7	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.2	176.9	-176	172.1	172.8	178	0	110.1	E165 L187 V190 R193 G194	E165-K249 VanDerWaalsContact OE1-CE 3.31Å; E165-K249 WeakPolarHBondContact OE1-CE 3.3Å; E165-K249 IonicContact OE1-NZ 2.77Å; E165-K249 PolarHBondContact OE1-NZ 3.29Å; L187-K249 HydrophobicContact CD1-CB 4.24Å; L187-K249 HydrophobicContact CD1-CD 4.09Å; L187-K249 HydrophobicContact CD1-CG 4.09Å; L187-K249 WeakPolarHBondContact O-CD 3.42Å; L187-K249 PolarHBondContact O-NZ 3.47Å; V190-K249 HydrophobicContact CG2-CB 4.19Å; V190-K249 HydrophobicContact CG2-CD 3.89Å; V190-K249 VanDerWaalsContact O-CD 3.29Å; V190-K249 WeakPolarHBondContact O-CD 3.14Å; V190-K249 PolarHBondContact O-NZ 2.92Å; R193-K249 WeakPolarHBondContact CA-O 3.32Å; R193-K249 PolarHBondContact N-O 3.07Å; G194-K249 PolarHBondContact O-N 3.48Å
250	K	98.1	Very high	96.6	Very high	142 Å²	142	33.5 Å²	33.5	62%	0.617	19%	0.193	S	C	*	.			trans	-68.6	0	177.3	-71.6	175.4	179.5	162.3	0	111.9	N231 C232 V233 R234	N231-K250 WeakPolarHBondContact O-CD 3.45Å; N231-K250 PolarHBondContact O-NZ 2.73Å; C232-K250 VanDerWaalsContact O-CB 3.24Å; C232-K250 WeakPolarHBondContact O-CB 3.48Å; C232-K250 WeakPolarHBondContact O-CG 3.42Å; C232-K250 PolarHBondContact O-N 2.67Å; V233-K250 WeakPolarHBondContact O-CE 3.32Å; V233-K250 PolarHBondContact O-NZ 3.48Å; R234-K250 HydrophobicContact CG-CG 4.46Å

Retrieved 250 of 250 residues in 77.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).