A0A2K5MJN2_CERAT Loading...

Major histocompatibility complex, class II, DO beta

AlphaFold DB , UniProt , Accession A0A2K5MJN2, Species CERAT (Cercocebus atys, Sooty mangabey), Gene HLA-DOB, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	39.1	Very low	255 Å²	255	142.5 Å²	142.5	100%	1.256	83%	0.828	S	S	*	*				0	122.2	0	-79.7	146.5	102.9	0	0	107.6
2	G	37.9	Very low	39	Very low	82 Å²	82	142.1 Å²	142.1	85%	0.845	82%	0.819	S	S	*	*			trans	142.4	57.8	-171	0	0	0	0	0	110.9
3	S	34.4	Very low	39.1	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	82%	0.816	S	S	*	*			trans	-92	94.9	179.3	159	0	0	0	0	108.8
4	G	37.8	Very low	39.4	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	81%	0.808	S	S	*	*			trans	-102.4	94.2	167.3	0	0	0	0	0	109.6
5	W	36.6	Very low	39.3	Very low	235 Å²	235	139.1 Å²	139.1	89%	0.89	80%	0.796	S	S	*	*			trans	-93.4	105.4	173.1	-83.4	61.7	0	0	0	109
6	V	43.2	Very low	39.3	Very low	117 Å²	117	140.4 Å²	140.4	71%	0.709	80%	0.799	S	S	*	*			trans	-79.5	128.6	169.1	177.2	0	0	0	0	108.1	W8	V6-W8 PolarHBondContact O-N 3.3Å
7	P	44.8	Very low	39.6	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	79%	0.793	S	S	*	*			trans	-73.5	123	-176	-12.5	27.7	0	0	0	111.7	V9	P7-V9 VanDerWaalsContact C-N 3.3Å; P7-V9 PolarHBondContact O-N 3.4Å
8	W	34.3	Very low	39.8	Very low	255 Å²	255	142.7 Å²	142.7	97%	0.966	79%	0.792	S	S	*	*			trans	-71.9	85.2	169.6	-73.2	67.5	0	0	0	109.9	V6 V10	V6-W8 PolarHBondContact O-N 3.3Å; W8-V10 PolarHBondContact O-N 3.31Å
9	V	42.1	Very low	39.7	Very low	131 Å²	131	143.3 Å²	143.3	79%	0.794	79%	0.793	S	S	*	*			trans	-69.5	107.4	148.6	176.8	0	0	0	0	105.9	P7	P7-V9 VanDerWaalsContact C-N 3.3Å; P7-V9 PolarHBondContact O-N 3.4Å
10	V	39.9	Very low	39.6	Very low	105 Å²	105	142.2 Å²	142.2	64%	0.636	79%	0.786	S	S	*	*			trans	179.6	82.7	139.4	179.4	0	0	0	0	105.8	W8 L12	W8-V10 PolarHBondContact O-N 3.31Å; V10-L12 VanDerWaalsContact C-N 3.26Å; V10-L12 HydrophobicContact CG1-CB 4.17Å; V10-L12 HydrophobicContact CG1-CD1 3.82Å; V10-L12 HydrophobicContact CG1-CG 3.9Å; V10-L12 PolarHBondContact O-N 3.35Å; V10-L12 VanDerWaalsContact O-N 3.08Å
11	A	39.1	Very low	39.7	Very low	102 Å²	102	140.5 Å²	140.5	84%	0.843	78%	0.784	S	S	*	*			trans	-72.7	92.6	157	0	0	0	0	0	106.3	L13	A11-L13 PolarHBondContact O-N 3.45Å
12	L	37.9	Very low	39.8	Very low	138 Å²	138	132.7 Å²	132.7	72%	0.723	75%	0.754	S	S	*	*			trans	-65.4	101.6	176.9	-124	141.4	0	0	0	107.8	V10 V14	V10-L12 VanDerWaalsContact C-N 3.26Å; V10-L12 HydrophobicContact CG1-CB 4.17Å; V10-L12 HydrophobicContact CG1-CD1 3.82Å; V10-L12 HydrophobicContact CG1-CG 3.9Å; V10-L12 PolarHBondContact O-N 3.35Å; V10-L12 VanDerWaalsContact O-N 3.08Å; L12-V14 PolarHBondContact O-N 3.45Å
13	L	40.2	Very low	40.2	Very low	147 Å²	147	136.8 Å²	136.8	77%	0.77	75%	0.754	S	S	*	*			trans	-54.3	90.2	160.6	-79.9	153.6	0	0	0	108.1	A11 N15	A11-L13 PolarHBondContact O-N 3.45Å; L13-N15 PolarHBondContact O-N 3.05Å
14	V	42.5	Very low	40.9	Very low	116 Å²	116	138 Å²	138	70%	0.703	76%	0.756	S	S	*	*			trans	-73.3	80.4	160.2	-176.7	0	0	0	0	105.6	L12 L16	L12-V14 PolarHBondContact O-N 3.45Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.17Å
15	N	38.8	Very low	41.5	Very low	119 Å²	119	143.3 Å²	143.3	64%	0.636	76%	0.762	S	S	*	*			trans	-57.1	104.5	157.2	-84.9	-54.7	0	0	0	105.8	L13 T17	L13-N15 PolarHBondContact O-N 3.05Å; N15-T17 PolarHBondContact O-N 3.32Å
16	L	39.1	Very low	42.6	Very low	160 Å²	160	134.7 Å²	134.7	84%	0.838	75%	0.747	S	S	*	*			trans	-63	79.6	156.6	-77.9	163.6	0	0	0	106.4	V14 R18	V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.17Å; L16-R18 PolarHBondContact O-N 3.24Å
17	T	44.8	Very low	43.3	Very low	113 Å²	113	135.7 Å²	135.7	69%	0.693	75%	0.753	S	S	*	*			trans	-67.4	78.5	149.1	45.4	0	0	0	0	105.6	N15 L19	N15-T17 PolarHBondContact O-N 3.32Å; T17-L19 PolarHBondContact O-N 3.04Å
18	R	42.3	Very low	44.2	Very low	208 Å²	208	138.4 Å²	138.4	79%	0.785	76%	0.762	S	S	*	*			trans	-55.5	95.4	144.7	-157.2	-176.1	-156.9	172.7	2.9	102.8	L16 D20	L16-R18 PolarHBondContact O-N 3.24Å; R18-D20 PolarHBondContact O-N 3.26Å
19	L	37.8	Very low	46	Very low	155 Å²	155	130.8 Å²	130.8	81%	0.812	75%	0.748	S	S	*	*			trans	-59.4	84	150.4	-91	131.4	0	0	0	103.1	T17 S21	T17-L19 PolarHBondContact O-N 3.04Å; L19-S21 PolarHBondContact O-N 3.38Å
20	D	39	Very low	48.2	Very low	120 Å²	120	130.1 Å²	130.1	64%	0.642	75%	0.746	S	S	*	*			trans	-50.6	100.4	144.1	-89.8	-20.6	0	0	0	102.5	R18 S22	R18-D20 PolarHBondContact O-N 3.26Å; D20-S22 PolarHBondContact O-N 3.22Å
21	S	41.7	Very low	50.7	Low	107 Å²	107	134 Å²	134	75%	0.748	76%	0.757	S	S	*	*			trans	-52.6	94.2	150.3	50.6	0	0	0	0	103.1	L19 M23	L19-S21 PolarHBondContact O-N 3.38Å; S21-M23 PolarHBondContact O-N 3.41Å
22	S	42.2	Very low	53.4	Low	91 Å²	91	134.8 Å²	134.8	64%	0.636	75%	0.747	S	S	*	*			trans	-57.4	99.4	163.6	67.9	0	0	0	0	102.9	D20 T24	D20-S22 PolarHBondContact O-N 3.22Å; S22-T24 PolarHBondContact O-N 3.11Å
23	M	46.5	Very low	56.1	Low	169 Å²	169	135 Å²	135	83%	0.833	74%	0.742	S	S	*	*			trans	-43.5	111.9	140.4	-84.6	-173.5	65.2	0	0	103	S21 Q25	S21-M23 PolarHBondContact O-N 3.41Å; M23-Q25 PolarHBondContact O-N 2.93Å
24	T	48.9	Very low	58.9	Low	129 Å²	129	130.7 Å²	130.7	79%	0.791	72%	0.722	S	S	*	*			trans	-59.1	91.3	166.7	43.2	0	0	0	0	104.3	S22 G26	S22-T24 PolarHBondContact O-N 3.11Å; T24-G26 PolarHBondContact O-N 2.91Å
25	Q	50.8	Low	61.5	Low	182 Å²	182	131 Å²	131	85%	0.85	72%	0.719	S	S	*	*			trans	-63.5	96.3	171.6	-169.7	167	17.8	0	0	103.4	M23 T27	M23-Q25 PolarHBondContact O-N 2.93Å; Q25-T27 PolarHBondContact O-N 2.93Å
26	G	58.1	Low	64.4	Low	55 Å²	55	128.6 Å²	128.6	57%	0.567	70%	0.704	S	S	*	*			trans	-51.4	125.8	175.9	0	0	0	0	0	107.1	T24 D28	T24-G26 PolarHBondContact O-N 2.91Å; G26-D28 PolarHBondContact O-N 3.14Å
27	T	58.3	Low	67.2	Low	137 Å²	137	124.4 Å²	124.4	84%	0.84	69%	0.692	S	S	*	*	S	Bend	trans	-44.2	132.1	170.7	-22.1	0	0	0	0	108.7	Q25 S29	Q25-T27 PolarHBondContact O-N 2.93Å; T27-S29 PolarHBondContact O-N 3.42Å; T27-S29 PolarHBondContact O-OG 3.39Å
28	D	64.1	Low	69.8	Low	167 Å²	167	123.8 Å²	123.8	89%	0.893	68%	0.68	S	S	*	*			trans	-20.8	89	-175.1	-80.2	-30.2	0	0	0	113.8	G26	G26-D28 PolarHBondContact O-N 3.14Å
29	S	71.1	Confident	72.4	Confident	96 Å²	96	117 Å²	117	67%	0.671	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-75.5	131.1	165.4	-56.2	0	0	0	0	105.9	T27 E31	T27-S29 PolarHBondContact O-N 3.42Å; T27-S29 PolarHBondContact O-OG 3.39Å; S29-E31 PolarHBondContact O-N 3.31Å
30	P	88.3	Confident	75.3	Confident	116 Å²	116	111.8 Å²	111.8	75%	0.753	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-50.3	144.1	173.9	-24.1	32.4	0	0	0	110.3	D32	P30-D32 PolarHBondContact O-N 2.99Å; P30-D32 VanDerWaalsContact O-N 3.09Å
31	E	92.9	Very high	78.2	Confident	186 Å²	186	107.9 Å²	107.9	87%	0.869	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-56.9	118.9	173.2	-68	-174.7	168.3	0	0	109.3	S29	S29-E31 PolarHBondContact O-N 3.31Å
32	D	95.3	Very high	80.9	Confident	119 Å²	119	107.7 Å²	107.7	64%	0.636	61%	0.606	S	S	*	*			trans	-138.8	142.6	-179.2	-174.2	30.6	0	0	0	110.5	P30	P30-D32 PolarHBondContact O-N 2.99Å; P30-D32 VanDerWaalsContact O-N 3.09Å
33	F	96.3	Very high	83.6	Confident	142 Å²	142	106.9 Å²	106.9	62%	0.623	59%	0.592	S	S	*	*			trans	-139.2	123.8	-179	-58.8	-82.9	0	0	0	109.2	F58	F33-F58 HydrophobicContact CB-CE2 4.38Å; F33-F58 HydrophobicContact CD1-CE2 4.49Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å
34	V	98.1	Very high	86	Confident	57 Å²	57	103 Å²	103	35%	0.345	58%	0.578	S	S	.	*			trans	-118.7	127.4	-174.7	-175.2	0	0	0	0	109.7	Q36 N59	V34-Q36 HydrophobicContact CG1-CG 3.85Å; V34-N59 PolarHBondContact N-OD1 2.84Å; V34-N59 WeakPolarHBondContact O-CA 3.42Å; V34-N59 PolarHBondContact O-N 3.25Å
35	I	98.1	Very high	88.3	Confident	123 Å²	123	102.9 Å²	102.9	63%	0.631	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.6	134.4	166.9	-170.2	167.1	0	0	0	109.4	I57	I35-I57 WeakPolarHBondContact CA-O 3.47Å
36	Q	98.6	Very high	90.3	Very high	68 Å²	68	95.7 Å²	95.7	32%	0.318	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.1	178.5	-50.3	172.5	64.3	0	0	109.5	V34 I57 N59	V34-Q36 HydrophobicContact CG1-CG 3.85Å; Q36-I57 HydrophobicContact CB-CB 4.22Å; Q36-I57 HydrophobicContact CB-CD1 4.35Å; Q36-I57 PolarHBondContact N-O 2.91Å; Q36-I57 PolarHBondContact O-N 3.22Å; Q36-N59 PolarHBondContact NE2-O 2.93Å
37	A	98.3	Very high	92.2	Very high	73 Å²	73	95 Å²	95	60%	0.603	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.2	168.1	0	0	0	0	0	108.8	R55 F56	A37-R55 CarbonylContact C-O 3.51Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.26Å; A37-F56 HydrophobicContact CB-CD1 4.21Å; A37-F56 HydrophobicContact CB-CE1 4.31Å
38	K	98.6	Very high	94	Very high	100 Å²	100	94.4 Å²	94.4	44%	0.435	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.9	176.5	-62.4	-176.1	178.5	-179.1	0	109.1	V54 R55 I57	K38-V54 CarbonylContact O-C 3.59Å; K38-V54 VanDerWaalsContact O-CA 3.23Å; K38-V54 WeakPolarHBondContact O-CA 3.39Å; K38-R55 HydrophobicContact CB-CB 4.33Å; K38-R55 PolarHBondContact N-O 3.16Å; K38-R55 PolarHBondContact O-N 3.47Å; K38-I57 HydrophobicContact CD-CD1 4.05Å; K38-I57 HydrophobicContact CG-CD1 4.11Å
39	A	98.3	Very high	95.6	Very high	65 Å²	65	93.2 Å²	93.2	54%	0.537	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	82	176.1	0	0	0	0	0	108	F52	A39-F52 HydrophobicContact CB-CE2 4.02Å; A39-F52 HydrophobicContact CB-CZ 4.37Å
40	D	98.6	Very high	96.9	Very high	45 Å²	45	89.4 Å²	89.4	24%	0.241	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.2	-172.8	-60.3	-31.9	0	0	0	110.3	Y42 F52 V53 R55	D40-Y42 HydrophobicContact CB-CE2 3.75Å; D40-F52 WeakPolarHBondContact O-CA 3.5Å; D40-F52 WeakPolarHBondContact O-CD2 3.3Å; D40-V53 PolarHBondContact N-O 2.83Å; D40-V53 PolarHBondContact O-N 3.32Å; D40-R55 WeakPolarHBondContact OD2-CD 3.48Å; D40-R55 IonicContact OD2-NE 3.15Å; D40-R55 PolarHBondContact OD2-NE 3.33Å
41	C	98.6	Very high	97.4	Very high	38 Å²	38	86.5 Å²	86.5	26%	0.257	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.1	174.2	-64.2	0	0	0	0	109.2	F43 Q51 C105	C41-F43 HydrophobicContact CB-CD2 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.48Å; C41-F43 VanDerWaalsContact CB-CE2 3.48Å; C41-F43 HydrophobicContact CB-CZ 3.58Å; C41-F43 WeakPolarHBondContact O-CD2 3.5Å; C41-F43 WeakPolarHBondContact O-CE2 3.47Å; C41-Q51 WeakPolarHBondContact CA-O 3.5Å; C41-C105 HydrophobicContact CB-CB 3.6Å; C41-C105 WeakPolarHBondContact CB-SG 3.39Å; C41-C105 WeakPolarHBondContact SG-CA 3.28Å; C41-C105 WeakPolarHBondContact SG-CB 3.34Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.43Å
42	Y	98.5	Very high	97.7	Very high	103 Å²	103	78.1 Å²	78.1	40%	0.404	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.8	178	-56.6	-88.3	0	0	0	109.7	D40 V50 Q51 V53 R55	D40-Y42 HydrophobicContact CB-CE2 3.75Å; Y42-V50 WeakPolarHBondContact O-CA 3.42Å; Y42-Q51 HydrophobicContact CD2-CB 4.43Å; Y42-Q51 PolarHBondContact N-O 3.35Å; Y42-Q51 PolarHBondContact O-N 2.85Å; Y42-V53 HydrophobicContact CD2-CG2 4.28Å; Y42-V53 HydrophobicContact CE2-CB 4.26Å; Y42-V53 HydrophobicContact CE2-CG2 3.92Å; Y42-R55 PolarHBondContact OH-NH2 2.96Å
43	F	98.3	Very high	97.8	Very high	74 Å²	74	72.5 Å²	72.5	33%	0.325	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.2	-174.2	-61.7	-83.1	0	0	0	110.2	C41 G46 V50 C105 Y109	C41-F43 HydrophobicContact CB-CD2 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.48Å; C41-F43 VanDerWaalsContact CB-CE2 3.48Å; C41-F43 HydrophobicContact CB-CZ 3.58Å; C41-F43 WeakPolarHBondContact O-CD2 3.5Å; C41-F43 WeakPolarHBondContact O-CE2 3.47Å; F43-G46 WeakPolarHBondContact CB-O 3.48Å; F43-V50 HydrophobicContact CD1-CG1 4.19Å; F43-V50 HydrophobicContact CD1-CG2 3.89Å; F43-V50 HydrophobicContact CE1-CG1 3.97Å; F43-V50 HydrophobicContact CE1-CG2 4.2Å; F43-C105 HydrophobicContact CE1-CB 4.04Å; F43-C105 HydrophobicContact CZ-CB 3.86Å; F43-C105 WeakPolarHBondContact CZ-O 3.49Å; F43-Y109 HydrophobicContact CB-CD2 4.41Å; F43-Y109 HydrophobicContact CB-CE2 4.23Å; F43-Y109 AromaticContact CD1-CD2 3.52Å; F43-Y109 HydrophobicContact CD1-CD2 3.52Å; F43-Y109 HydrophobicContact CD1-CE2 4.1Å; F43-Y109 HydrophobicContact CD1-CG 4.12Å; F43-Y109 AromaticContact CD2-CD2 3.96Å; F43-Y109 HydrophobicContact CD2-CD2 3.96Å; F43-Y109 HydrophobicContact CD2-CE2 4.44Å; F43-Y109 AromaticContact CE1-CD2 3.64Å; F43-Y109 HydrophobicContact CE1-CD2 3.64Å; F43-Y109 AromaticContact CE1-CG 3.93Å; F43-Y109 HydrophobicContact CE1-CG 3.93Å; F43-Y109 HydrophobicContact CE2-CD2 4.05Å; F43-Y109 AromaticContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CE2 4.01Å; F43-Y109 AromaticContact CZ-CD2 3.9Å; F43-Y109 HydrophobicContact CZ-CD2 3.9Å; F43-Y109 HydrophobicContact CZ-CG 4.32Å
44	T	97.8	Very high	97.9	Very high	89 Å²	89	66.7 Å²	66.7	55%	0.546	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.8	173.9	-57.2	0	0	0	0	110.1	K49	T44-K49 PolarHBondContact N-O 2.98Å; T44-K49 PolarHBondContact O-N 3.22Å
45	N	96.3	Very high	98	Very high	125 Å²	125	66 Å²	66	67%	0.668	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	60.9	-173.9	-162.6	25.8	0	0	0	112.3	T47 E48	N45-T47 PolarHBondContact O-N 3.46Å; N45-E48 HydrophobicContact CB-CB 4.3Å; N45-E48 PolarHBondContact ND2-OE2 2.82Å; N45-E48 WeakPolarHBondContact O-CB 3.31Å; N45-E48 PolarHBondContact O-N 3.02Å
46	G	94.6	Very high	98	Very high	32 Å²	32	62.3 Å²	62.3	33%	0.33	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-120.7	-172.8	0	0	0	0	0	110.7	F43	F43-G46 WeakPolarHBondContact CB-O 3.48Å
47	T	97.1	Very high	98	Very high	39 Å²	39	59.7 Å²	59.7	24%	0.239	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.2	174.8	62.1	0	0	0	0	112.7	N45 V50 R106 Y109	N45-T47 PolarHBondContact O-N 3.46Å; T47-V50 WeakPolarHBondContact O-CG2 3.4Å; T47-R106 VanDerWaalsContact O-CZ 3.29Å; T47-R106 PolarHBondContact O-NH1 3.36Å; T47-R106 PolarHBondContact O-NH2 3.5Å; T47-Y109 HydrophobicContact CG2-CD1 3.36Å; T47-Y109 HydrophobicContact CG2-CD2 4.4Å; T47-Y109 HydrophobicContact CG2-CE1 3.76Å; T47-Y109 HydrophobicContact CG2-CG 3.73Å
48	E	95.8	Very high	98	Very high	126 Å²	126	59.8 Å²	59.8	59%	0.589	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-54.4	-176.2	-171.2	-175.8	160.8	0	0	111.6	N45	N45-E48 HydrophobicContact CB-CB 4.3Å; N45-E48 PolarHBondContact ND2-OE2 2.82Å; N45-E48 WeakPolarHBondContact O-CB 3.31Å; N45-E48 PolarHBondContact O-N 3.02Å
49	K	97.9	Very high	97.9	Very high	142 Å²	142	57.8 Å²	57.8	62%	0.617	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.6	174.8	-63.2	179.3	-177.3	-179.5	0	109.1	T44	T44-K49 PolarHBondContact N-O 2.98Å; T44-K49 PolarHBondContact O-N 3.22Å
50	V	98.6	Very high	97.9	Very high	16 Å²	16	62.6 Å²	62.6	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.7	-178.5	-176.4	0	0	0	0	108.3	Y42 F43 T47 V101 C105 R106	Y42-V50 WeakPolarHBondContact O-CA 3.42Å; F43-V50 HydrophobicContact CD1-CG1 4.19Å; F43-V50 HydrophobicContact CD1-CG2 3.89Å; F43-V50 HydrophobicContact CE1-CG1 3.97Å; F43-V50 HydrophobicContact CE1-CG2 4.2Å; T47-V50 WeakPolarHBondContact O-CG2 3.4Å; V50-V101 HydrophobicContact CB-CG1 3.94Å; V50-V101 HydrophobicContact CG1-CG1 3.96Å; V50-C105 HydrophobicContact CG1-CB 3.59Å; V50-R106 HydrophobicContact CG2-CG 4.07Å
51	Q	98.6	Very high	97.9	Very high	54 Å²	54	64.9 Å²	64.9	25%	0.252	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.3	172.6	-171.1	-173.3	14.9	0	0	108.6	C41 Y42 V53 D67 S68	C41-Q51 WeakPolarHBondContact CA-O 3.5Å; Y42-Q51 HydrophobicContact CD2-CB 4.43Å; Y42-Q51 PolarHBondContact N-O 3.35Å; Y42-Q51 PolarHBondContact O-N 2.85Å; Q51-V53 HydrophobicContact CG-CG2 4Å; Q51-D67 VanDerWaalsContact NE2-CG 3.35Å; Q51-D67 PolarHBondContact NE2-OD1 2.94Å; Q51-D67 PolarHBondContact NE2-OD2 3.32Å; Q51-D67 VanDerWaalsContact NE2-OD2 3.08Å; Q51-S68 WeakPolarHBondContact CA-OG 3.49Å
52	F	98.7	Very high	97.9	Very high	10 Å²	10	65 Å²	65	4%	0.044	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.6	174.9	176.4	-116.7	0	0	0	109.8	A39 D40 V54 F66 S68 A100 V101 C105	A39-F52 HydrophobicContact CB-CE2 4.02Å; A39-F52 HydrophobicContact CB-CZ 4.37Å; D40-F52 WeakPolarHBondContact O-CA 3.5Å; D40-F52 WeakPolarHBondContact O-CD2 3.3Å; F52-V54 HydrophobicContact CD1-CG2 4.23Å; F52-V54 HydrophobicContact CE1-CG2 3.25Å; F52-V54 HydrophobicContact CE2-CG2 3.95Å; F52-V54 HydrophobicContact CZ-CG2 3.1Å; F52-F66 HydrophobicContact CD1-CD1 4.04Å; F52-F66 HydrophobicContact CD1-CE1 4.04Å; F52-F66 HydrophobicContact CE1-CD1 4.3Å; F52-S68 PolarHBondContact N-OG 3.11Å; F52-S68 PolarHBondContact O-N 2.94Å; F52-S68 PolarHBondContact O-OG 3.3Å; F52-A100 HydrophobicContact CD1-CB 3.64Å; F52-A100 HydrophobicContact CE1-CB 3.27Å; F52-A100 HydrophobicContact CE2-CB 4.21Å; F52-A100 HydrophobicContact CG-CB 4.23Å; F52-A100 HydrophobicContact CZ-CB 3.57Å; F52-V101 HydrophobicContact CB-CG2 3.69Å; F52-C105 WeakPolarHBondContact CD2-SG 3.39Å
53	V	98.8	Very high	97.9	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.2	-179.7	-173.6	0	0	0	0	109.5	D40 Y42 Q51 R55 F66	D40-V53 PolarHBondContact N-O 2.83Å; D40-V53 PolarHBondContact O-N 3.32Å; Y42-V53 HydrophobicContact CD2-CG2 4.28Å; Y42-V53 HydrophobicContact CE2-CB 4.26Å; Y42-V53 HydrophobicContact CE2-CG2 3.92Å; Q51-V53 HydrophobicContact CG-CG2 4Å; V53-R55 HydrophobicContact CG1-CG 3.95Å; V53-F66 CarbonylContact C-O 3.54Å; V53-F66 VanDerWaalsContact CA-O 3.26Å; V53-F66 WeakPolarHBondContact CA-O 3.46Å; V53-F66 WeakPolarHBondContact CG1-O 3.47Å
54	V	98.5	Very high	97.9	Very high	20 Å²	20	57.3 Å²	57.3	12%	0.121	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.7	169.8	-172.4	0	0	0	0	108.9	K38 F52 F56 R65 F66	K38-V54 CarbonylContact O-C 3.59Å; K38-V54 VanDerWaalsContact O-CA 3.23Å; K38-V54 WeakPolarHBondContact O-CA 3.39Å; F52-V54 HydrophobicContact CD1-CG2 4.23Å; F52-V54 HydrophobicContact CE1-CG2 3.25Å; F52-V54 HydrophobicContact CE2-CG2 3.95Å; F52-V54 HydrophobicContact CZ-CG2 3.1Å; V54-F56 HydrophobicContact CB-CE2 4.35Å; V54-F56 HydrophobicContact CG1-CD2 4.25Å; V54-F56 HydrophobicContact CG1-CE2 3.54Å; V54-F56 HydrophobicContact CG1-CZ 3.73Å; V54-R65 CarbonylContact O-C 3.43Å; V54-R65 WeakPolarHBondContact O-CA 3.35Å; V54-R65 VanDerWaalsContact O-CB 3.27Å; V54-R65 WeakPolarHBondContact O-CB 3.47Å; V54-F66 HydrophobicContact CB-CB 4.3Å; V54-F66 PolarHBondContact N-O 3.02Å; V54-F66 PolarHBondContact O-N 2.96Å
55	R	98.8	Very high	98	Very high	43 Å²	43	56.1 Å²	56.1	16%	0.162	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.3	-179.9	-50.7	178.8	-177.8	-87.2	-4.1	109.5	A37 K38 D40 Y42 V53 I57 E62	A37-R55 CarbonylContact C-O 3.51Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.26Å; K38-R55 HydrophobicContact CB-CB 4.33Å; K38-R55 PolarHBondContact N-O 3.16Å; K38-R55 PolarHBondContact O-N 3.47Å; D40-R55 WeakPolarHBondContact OD2-CD 3.48Å; D40-R55 IonicContact OD2-NE 3.15Å; D40-R55 PolarHBondContact OD2-NE 3.33Å; Y42-R55 PolarHBondContact OH-NH2 2.96Å; V53-R55 HydrophobicContact CG1-CG 3.95Å; R55-I57 HydrophobicContact CB-CD1 4.04Å; R55-I57 HydrophobicContact CB-CG1 4.49Å; R55-E62 HydrophobicContact CB-CG 4.14Å; R55-E62 WeakPolarHBondContact CB-OE1 3.32Å; R55-E62 VanDerWaalsContact CG-OE1 3.26Å; R55-E62 WeakPolarHBondContact CG-OE1 3.34Å; R55-E62 IonicContact NH1-OE1 3.93Å; R55-E62 PolarHBondContact NH1-OE1 3Å; R55-E62 VanDerWaalsContact NH1-OE1 3.13Å; R55-E62 IonicContact NH1-OE2 3.05Å; R55-E62 PolarHBondContact NH1-OE2 3.48Å
56	F	98.7	Very high	98.1	Very high	45 Å²	45	50.1 Å²	50.1	20%	0.197	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.2	170.4	-60	-93.9	0	0	0	108.8	A37 V54 E62 Y63 V64 F73 W87	A37-F56 HydrophobicContact CB-CD1 4.21Å; A37-F56 HydrophobicContact CB-CE1 4.31Å; V54-F56 HydrophobicContact CB-CE2 4.35Å; V54-F56 HydrophobicContact CG1-CD2 4.25Å; V54-F56 HydrophobicContact CG1-CE2 3.54Å; V54-F56 HydrophobicContact CG1-CZ 3.73Å; F56-E62 WeakPolarHBondContact O-CA 3.38Å; F56-Y63 VanDerWaalsContact C-CE1 3.5Å; F56-Y63 HydrophobicContact CB-CD1 4.37Å; F56-Y63 HydrophobicContact CB-CE1 3.65Å; F56-Y63 HydrophobicContact CB-CE2 4.26Å; F56-Y63 VanDerWaalsContact O-CD1 3.23Å; F56-Y63 WeakPolarHBondContact O-CD1 3.32Å; F56-Y63 PolarHBondContact O-N 3.2Å; F56-V64 HydrophobicContact CB-CG1 3.69Å; F56-V64 HydrophobicContact CD2-CG1 3.8Å; F56-V64 HydrophobicContact CG-CG1 4Å; F56-V64 PolarHBondContact N-O 3.41Å; F56-F73 HydrophobicContact CE2-CE1 4.09Å; F56-W87 HydrophobicContact CD1-CH2 4.03Å; F56-W87 AromaticContact CD2-CH2 3.87Å; F56-W87 HydrophobicContact CD2-CH2 3.87Å; F56-W87 AromaticContact CD2-CZ3 3.57Å; F56-W87 HydrophobicContact CD2-CZ3 3.57Å; F56-W87 AromaticContact CE1-CH2 3.99Å; F56-W87 HydrophobicContact CE1-CH2 3.99Å; F56-W87 HydrophobicContact CE1-CZ3 4.4Å; F56-W87 HydrophobicContact CE2-CE3 4.36Å; F56-W87 AromaticContact CE2-CH2 3.83Å; F56-W87 HydrophobicContact CE2-CH2 3.83Å; F56-W87 AromaticContact CE2-CZ3 3.41Å; F56-W87 HydrophobicContact CE2-CZ3 3.41Å; F56-W87 VanDerWaalsContact CE2-CZ3 3.41Å; F56-W87 AromaticContact CG-CH2 3.96Å; F56-W87 HydrophobicContact CG-CH2 3.96Å; F56-W87 HydrophobicContact CG-CZ3 4.14Å; F56-W87 AromaticContact CZ-CH2 3.89Å; F56-W87 HydrophobicContact CZ-CH2 3.89Å; F56-W87 AromaticContact CZ-CZ3 3.86Å; F56-W87 HydrophobicContact CZ-CZ3 3.86Å
57	I	98.8	Very high	98.3	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.072	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.1	-170.7	-57.7	128	0	0	0	108.4	I35 Q36 K38 R55 N59 E61 E62	I35-I57 WeakPolarHBondContact CA-O 3.47Å; Q36-I57 HydrophobicContact CB-CB 4.22Å; Q36-I57 HydrophobicContact CB-CD1 4.35Å; Q36-I57 PolarHBondContact N-O 2.91Å; Q36-I57 PolarHBondContact O-N 3.22Å; K38-I57 HydrophobicContact CD-CD1 4.05Å; K38-I57 HydrophobicContact CG-CD1 4.11Å; R55-I57 HydrophobicContact CB-CD1 4.04Å; R55-I57 HydrophobicContact CB-CG1 4.49Å; I57-N59 WeakPolarHBondContact CG2-O 3.43Å; I57-E61 CarbonylContact C-O 3.59Å; I57-E61 WeakPolarHBondContact CA-O 3.37Å; I57-E62 HydrophobicContact CG1-CB 3.92Å; I57-E62 HydrophobicContact CG1-CG 4.01Å
58	F	98.4	Very high	98.3	Very high	74 Å²	74	49.1 Å²	49.1	33%	0.325	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.8	170.9	-179.1	-109.2	0	0	0	108.3	F33 L60 E61 Y63 L79	F33-F58 HydrophobicContact CB-CE2 4.38Å; F33-F58 HydrophobicContact CD1-CE2 4.49Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å; F58-L60 PolarHBondContact O-N 3.47Å; F58-E61 PolarHBondContact N-O 2.89Å; F58-E61 PolarHBondContact O-N 3.49Å; F58-Y63 HydrophobicContact CB-CD1 3.88Å; F58-Y63 HydrophobicContact CB-CE1 4.09Å; F58-L79 HydrophobicContact CB-CD2 3.99Å; F58-L79 HydrophobicContact CD1-CD2 4.07Å; F58-L79 HydrophobicContact CG-CD2 4.22Å
59	N	97.3	Very high	98.4	Very high	59 Å²	59	49 Å²	49	32%	0.316	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-99.6	-163.8	-60.7	-32.3	0	0	0	111	V34 Q36 I57	V34-N59 PolarHBondContact N-OD1 2.84Å; V34-N59 WeakPolarHBondContact O-CA 3.42Å; V34-N59 PolarHBondContact O-N 3.25Å; Q36-N59 PolarHBondContact NE2-O 2.93Å; I57-N59 WeakPolarHBondContact CG2-O 3.43Å
60	L	97.6	Very high	98.4	Very high	165 Å²	165	46.2 Å²	46.2	86%	0.864	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	1.5	175.5	-60.2	177	0	0	0	112.5	F58	F58-L60 PolarHBondContact O-N 3.47Å
61	E	98.3	Very high	98.4	Very high	93 Å²	93	46 Å²	46	44%	0.435	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.2	179.9	-173	-178.6	155.3	0	0	109.9	I57 F58 Y63 T77	I57-E61 CarbonylContact C-O 3.59Å; I57-E61 WeakPolarHBondContact CA-O 3.37Å; F58-E61 PolarHBondContact N-O 2.89Å; F58-E61 PolarHBondContact O-N 3.49Å; E61-Y63 PolarHBondContact O-N 3.47Å; E61-T77 HydrophobicContact CG-CG2 3.83Å; E61-T77 WeakPolarHBondContact OE1-CB 3.26Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.44Å; E61-T77 PolarHBondContact OE1-OG1 2.9Å
62	E	98.6	Very high	98.4	Very high	40 Å²	40	47.4 Å²	47.4	19%	0.187	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	108.2	168	-170.2	-173.3	169.7	0	0	108.8	R55 F56 I57 R65 L76	R55-E62 HydrophobicContact CB-CG 4.14Å; R55-E62 WeakPolarHBondContact CB-OE1 3.32Å; R55-E62 VanDerWaalsContact CG-OE1 3.26Å; R55-E62 WeakPolarHBondContact CG-OE1 3.34Å; R55-E62 IonicContact NH1-OE1 3.93Å; R55-E62 PolarHBondContact NH1-OE1 3Å; R55-E62 VanDerWaalsContact NH1-OE1 3.13Å; R55-E62 IonicContact NH1-OE2 3.05Å; R55-E62 PolarHBondContact NH1-OE2 3.48Å; F56-E62 WeakPolarHBondContact O-CA 3.38Å; I57-E62 HydrophobicContact CG1-CB 3.92Å; I57-E62 HydrophobicContact CG1-CG 4.01Å; E62-R65 WeakPolarHBondContact OE1-CB 3.36Å; E62-R65 IonicContact OE1-CZ 3.13Å; E62-R65 IonicContact OE1-NE 2.76Å; E62-R65 PolarHBondContact OE1-NE 3.36Å; E62-R65 IonicContact OE1-NH2 3.71Å; E62-R65 PolarHBondContact OE1-NH2 3.36Å; E62-R65 IonicContact OE2-CZ 3.86Å; E62-R65 IonicContact OE2-NE 2.98Å; E62-R65 IonicContact OE2-NH2 2.76Å; E62-R65 PolarHBondContact OE2-NH2 3.08Å; E62-L76 HydrophobicContact CB-CD1 4.08Å; E62-L76 VanDerWaalsContact CD-CD1 3.47Å; E62-L76 HydrophobicContact CG-CD1 3.63Å; E62-L76 WeakPolarHBondContact O-CB 3.35Å
63	Y	98.6	Very high	98.4	Very high	17 Å²	17	47.3 Å²	47.3	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-29.5	-168.6	66.2	-89	0	0	0	113.1	F56 F58 E61 L76 T77 L79 G80 D83	F56-Y63 VanDerWaalsContact C-CE1 3.5Å; F56-Y63 HydrophobicContact CB-CD1 4.37Å; F56-Y63 HydrophobicContact CB-CE1 3.65Å; F56-Y63 HydrophobicContact CB-CE2 4.26Å; F56-Y63 VanDerWaalsContact O-CD1 3.23Å; F56-Y63 WeakPolarHBondContact O-CD1 3.32Å; F56-Y63 PolarHBondContact O-N 3.2Å; F58-Y63 HydrophobicContact CB-CD1 3.88Å; F58-Y63 HydrophobicContact CB-CE1 4.09Å; E61-Y63 PolarHBondContact O-N 3.47Å; Y63-L76 PolarHBondContact O-N 3.44Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.49Å; Y63-T77 PolarHBondContact O-N 3.26Å; Y63-L79 HydrophobicContact CD1-CD2 4.32Å; Y63-L79 HydrophobicContact CD2-CD2 4.45Å; Y63-L79 HydrophobicContact CD2-CG 4.21Å; Y63-L79 HydrophobicContact CG-CD2 4.04Å; Y63-L79 HydrophobicContact CG-CG 4.23Å; Y63-G80 WeakPolarHBondContact O-CA 3.48Å; Y63-D83 WeakPolarHBondContact CE2-OD2 3.34Å
64	V	98.8	Very high	98.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.1	175	63.8	0	0	0	0	110.3	F56 F73 V74 D83 A84 W87	F56-V64 HydrophobicContact CB-CG1 3.69Å; F56-V64 HydrophobicContact CD2-CG1 3.8Å; F56-V64 HydrophobicContact CG-CG1 4Å; F56-V64 PolarHBondContact N-O 3.41Å; V64-F73 HydrophobicContact CG2-CB 4.34Å; V64-V74 WeakPolarHBondContact CA-O 3.15Å; V64-D83 HydrophobicContact CG1-CB 4.4Å; V64-A84 HydrophobicContact CG2-CB 4.02Å; V64-W87 HydrophobicContact CB-CZ3 4.47Å; V64-W87 HydrophobicContact CG1-CE3 4.46Å; V64-W87 HydrophobicContact CG1-CH2 3.82Å; V64-W87 HydrophobicContact CG1-CZ3 3.48Å; V64-W87 VanDerWaalsContact CG1-CZ3 3.48Å; V64-W87 HydrophobicContact CG2-CE3 4.35Å; V64-W87 HydrophobicContact CG2-CZ3 4.09Å
65	R	98.7	Very high	98.4	Very high	63 Å²	63	50.7 Å²	50.7	24%	0.238	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.6	172.8	68	168.2	63.6	153.7	13.6	112.9	V54 E62 F73 V74 L76	V54-R65 CarbonylContact O-C 3.43Å; V54-R65 WeakPolarHBondContact O-CA 3.35Å; V54-R65 VanDerWaalsContact O-CB 3.27Å; V54-R65 WeakPolarHBondContact O-CB 3.47Å; E62-R65 WeakPolarHBondContact OE1-CB 3.36Å; E62-R65 IonicContact OE1-CZ 3.13Å; E62-R65 IonicContact OE1-NE 2.76Å; E62-R65 PolarHBondContact OE1-NE 3.36Å; E62-R65 IonicContact OE1-NH2 3.71Å; E62-R65 PolarHBondContact OE1-NH2 3.36Å; E62-R65 IonicContact OE2-CZ 3.86Å; E62-R65 IonicContact OE2-NE 2.98Å; E62-R65 IonicContact OE2-NH2 2.76Å; E62-R65 PolarHBondContact OE2-NH2 3.08Å; R65-F73 CarbonylContact O-C 3.47Å; R65-F73 VanDerWaalsContact O-CA 3.24Å; R65-F73 WeakPolarHBondContact O-CA 3.49Å; R65-V74 PolarHBondContact N-O 3.47Å; R65-V74 PolarHBondContact O-N 2.97Å; R65-L76 HydrophobicContact CG-CD1 4.31Å; R65-L76 HydrophobicContact CG-CD2 4.27Å; R65-L76 HydrophobicContact CG-CG 4.37Å
66	F	98.8	Very high	98.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.8	157.9	177.5	-91.7	0	0	0	108.5	F52 V53 V54 F73 L94 S97 R98	F52-F66 HydrophobicContact CD1-CD1 4.04Å; F52-F66 HydrophobicContact CD1-CE1 4.04Å; F52-F66 HydrophobicContact CE1-CD1 4.3Å; V53-F66 CarbonylContact C-O 3.54Å; V53-F66 VanDerWaalsContact CA-O 3.26Å; V53-F66 WeakPolarHBondContact CA-O 3.46Å; V53-F66 WeakPolarHBondContact CG1-O 3.47Å; V54-F66 HydrophobicContact CB-CB 4.3Å; V54-F66 PolarHBondContact N-O 3.02Å; V54-F66 PolarHBondContact O-N 2.96Å; F66-F73 HydrophobicContact CB-CD1 3.64Å; F66-F73 HydrophobicContact CB-CE1 3.56Å; F66-F73 HydrophobicContact CB-CG 4.23Å; F66-F73 HydrophobicContact CB-CZ 4.04Å; F66-F73 HydrophobicContact CD2-CD2 4.09Å; F66-F73 HydrophobicContact CD2-CE1 4.48Å; F66-F73 AromaticContact CD2-CE2 4Å; F66-F73 HydrophobicContact CD2-CE2 4Å; F66-F73 HydrophobicContact CD2-CG 4.34Å; F66-F73 HydrophobicContact CD2-CZ 4.21Å; F66-F73 HydrophobicContact CG-CE1 4.4Å; F66-F73 HydrophobicContact CG-CZ 4.41Å; F66-L94 HydrophobicContact CD2-CD1 4.44Å; F66-L94 HydrophobicContact CE2-CD1 3.98Å; F66-S97 WeakPolarHBondContact CE1-O 3.48Å; F66-R98 HydrophobicContact CE2-CG 4.25Å; F66-R98 HydrophobicContact CZ-CB 4.48Å; F66-R98 HydrophobicContact CZ-CG 3.77Å
67	D	98.6	Very high	98.3	Very high	24 Å²	24	51.8 Å²	51.8	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126	172.8	-169.5	-36.3	0	0	0	108.4	Q51 D69 V70 G71	Q51-D67 VanDerWaalsContact NE2-CG 3.35Å; Q51-D67 PolarHBondContact NE2-OD1 2.94Å; Q51-D67 PolarHBondContact NE2-OD2 3.32Å; Q51-D67 VanDerWaalsContact NE2-OD2 3.08Å; D67-D69 PolarHBondContact O-N 3.02Å; D67-D69 PolarHBondContact OD1-N 3.22Å; D67-V70 HydrophobicContact CB-CB 4.24Å; D67-V70 HydrophobicContact CB-CG2 3.95Å; D67-V70 CarbonylContact O-C 3.57Å; D67-V70 PolarHBondContact O-N 3.35Å; D67-V70 VanDerWaalsContact O-N 3.11Å; D67-G71 PolarHBondContact O-N 2.96Å
68	S	98.3	Very high	98.3	Very high	26 Å²	26	59.5 Å²	59.5	18%	0.182	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.3	-178.8	59.9	0	0	0	0	113.2	Q51 F52 V70 G71	Q51-S68 WeakPolarHBondContact CA-OG 3.49Å; F52-S68 PolarHBondContact N-OG 3.11Å; F52-S68 PolarHBondContact O-N 2.94Å; F52-S68 PolarHBondContact O-OG 3.3Å; S68-V70 VanDerWaalsContact C-N 3.28Å; S68-G71 PolarHBondContact O-N 3.48Å
69	D	97.9	Very high	98.3	Very high	122 Å²	122	60.1 Å²	60.1	65%	0.652	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-25.2	-179.6	-68.9	-0	0	0	0	111.4	D67	D67-D69 PolarHBondContact O-N 3.02Å; D67-D69 PolarHBondContact OD1-N 3.22Å
70	V	98.2	Very high	98.3	Very high	85 Å²	85	57.3 Å²	57.3	52%	0.515	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-33.4	172.8	-173.8	0	0	0	0	110.8	D67 S68 M72 V74	D67-V70 HydrophobicContact CB-CB 4.24Å; D67-V70 HydrophobicContact CB-CG2 3.95Å; D67-V70 CarbonylContact O-C 3.57Å; D67-V70 PolarHBondContact O-N 3.35Å; D67-V70 VanDerWaalsContact O-N 3.11Å; S68-V70 VanDerWaalsContact C-N 3.28Å; V70-M72 VanDerWaalsContact C-N 3.34Å; V70-M72 HydrophobicContact CG1-CG 3.81Å; V70-V74 HydrophobicContact CG1-CG2 4.06Å
71	G	97.7	Very high	98.4	Very high	11 Å²	11	54.5 Å²	54.5	11%	0.113	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	14.2	177.4	0	0	0	0	0	114.9	D67 S68 L94 R98	D67-G71 PolarHBondContact O-N 2.96Å; S68-G71 PolarHBondContact O-N 3.48Å; G71-L94 WeakPolarHBondContact O-CD1 3.34Å; G71-R98 VanDerWaalsContact O-CZ 3.31Å; G71-R98 PolarHBondContact O-NE 2.87Å; G71-R98 PolarHBondContact O-NH2 2.82Å
72	M	98.3	Very high	98.4	Very high	84 Å²	84	54 Å²	54	41%	0.414	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166.2	179.4	57.3	178.8	-75.3	0	0	112.8	V70 N88 L94	V70-M72 VanDerWaalsContact C-N 3.34Å; V70-M72 HydrophobicContact CG1-CG 3.81Å; M72-N88 WeakPolarHBondContact CB-OD1 3.29Å; M72-N88 WeakPolarHBondContact CE-ND2 3.43Å; M72-L94 HydrophobicContact CB-CD1 4.16Å
73	F	98.6	Very high	98.4	Very high	7 Å²	7	54 Å²	54	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	135.5	173.6	-65.3	-90.9	0	0	0	110.5	F56 V64 R65 F66 A84 W87 N88 L93 L94	F56-F73 HydrophobicContact CE2-CE1 4.09Å; V64-F73 HydrophobicContact CG2-CB 4.34Å; R65-F73 CarbonylContact O-C 3.47Å; R65-F73 VanDerWaalsContact O-CA 3.24Å; R65-F73 WeakPolarHBondContact O-CA 3.49Å; F66-F73 HydrophobicContact CB-CD1 3.64Å; F66-F73 HydrophobicContact CB-CE1 3.56Å; F66-F73 HydrophobicContact CB-CG 4.23Å; F66-F73 HydrophobicContact CB-CZ 4.04Å; F66-F73 HydrophobicContact CD2-CD2 4.09Å; F66-F73 HydrophobicContact CD2-CE1 4.48Å; F66-F73 AromaticContact CD2-CE2 4Å; F66-F73 HydrophobicContact CD2-CE2 4Å; F66-F73 HydrophobicContact CD2-CG 4.34Å; F66-F73 HydrophobicContact CD2-CZ 4.21Å; F66-F73 HydrophobicContact CG-CE1 4.4Å; F66-F73 HydrophobicContact CG-CZ 4.41Å; F73-A84 HydrophobicContact CB-CB 4.48Å; F73-W87 HydrophobicContact CD1-CD2 4.48Å; F73-W87 AromaticContact CD1-CE3 3.41Å; F73-W87 HydrophobicContact CD1-CE3 3.41Å; F73-W87 VanDerWaalsContact CD1-CE3 3.41Å; F73-W87 AromaticContact CD1-CZ3 3.96Å; F73-W87 HydrophobicContact CD1-CZ3 3.96Å; F73-W87 HydrophobicContact CD2-CB 3.78Å; F73-W87 HydrophobicContact CE1-CD2 4.49Å; F73-W87 AromaticContact CE1-CE3 3.57Å; F73-W87 HydrophobicContact CE1-CE3 3.57Å; F73-W87 HydrophobicContact CE1-CZ3 4.06Å; F73-W87 HydrophobicContact CE2-CB 4.03Å; F73-W87 HydrophobicContact CG-CB 4.09Å; F73-W87 AromaticContact CG-CE3 3.94Å; F73-W87 HydrophobicContact CG-CE3 3.94Å; F73-W87 HydrophobicContact CZ-CE3 4.27Å; F73-N88 PolarHBondContact N-OD1 2.99Å; F73-N88 PolarHBondContact O-ND2 3.44Å; F73-L93 HydrophobicContact CE2-CD2 4.29Å; F73-L93 HydrophobicContact CE2-CG 4.14Å; F73-L93 HydrophobicContact CZ-CD2 4.32Å; F73-L93 HydrophobicContact CZ-CG 4.2Å; F73-L94 HydrophobicContact CD2-CD1 4.27Å; F73-L94 HydrophobicContact CE2-CD1 4.42Å
74	V	98.6	Very high	98.4	Very high	59 Å²	59	53.6 Å²	53.6	36%	0.358	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.5	179.8	-177.2	0	0	0	0	108.4	V64 R65 V70 L76	V64-V74 WeakPolarHBondContact CA-O 3.15Å; R65-V74 PolarHBondContact N-O 3.47Å; R65-V74 PolarHBondContact O-N 2.97Å; V70-V74 HydrophobicContact CG1-CG2 4.06Å; V74-L76 PolarHBondContact O-N 3.49Å
75	A	98.5	Very high	98.3	Very high	33 Å²	33	60.6 Å²	60.6	27%	0.273	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.1	170.3	0	0	0	0	0	109.4	G80 Q81 A84	A75-G80 VanDerWaalsContact CB-C 3.45Å; A75-G80 WeakPolarHBondContact CB-O 3.48Å; A75-Q81 HydrophobicContact CB-CB 4.49Å; A75-Q81 HydrophobicContact CB-CG 4.02Å; A75-A84 HydrophobicContact CB-CB 3.87Å
76	L	98.4	Very high	98.3	Very high	75 Å²	75	62.8 Å²	62.8	39%	0.393	33%	0.334	S	S	.	.	S	Bend	trans	-90.7	-26.3	175.1	-57.9	-179.5	0	0	0	111.2	E62 Y63 R65 V74	E62-L76 HydrophobicContact CB-CD1 4.08Å; E62-L76 VanDerWaalsContact CD-CD1 3.47Å; E62-L76 HydrophobicContact CG-CD1 3.63Å; E62-L76 WeakPolarHBondContact O-CB 3.35Å; Y63-L76 PolarHBondContact O-N 3.44Å; R65-L76 HydrophobicContact CG-CD1 4.31Å; R65-L76 HydrophobicContact CG-CD2 4.27Å; R65-L76 HydrophobicContact CG-CG 4.37Å; V74-L76 PolarHBondContact O-N 3.49Å
77	T	98.3	Very high	98.3	Very high	36 Å²	36	64.5 Å²	64.5	22%	0.221	34%	0.341	C	S	.	.	S	Bend	trans	-135.5	170.4	179.6	80.5	0	0	0	0	110.7	E61 Y63 L79 G80	E61-T77 HydrophobicContact CG-CG2 3.83Å; E61-T77 WeakPolarHBondContact OE1-CB 3.26Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.44Å; E61-T77 PolarHBondContact OE1-OG1 2.9Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.49Å; Y63-T77 PolarHBondContact O-N 3.26Å; T77-L79 PolarHBondContact O-N 3.33Å; T77-G80 PolarHBondContact O-N 2.97Å; T77-G80 VanDerWaalsContact O-N 3.13Å
78	K	98.1	Very high	98.3	Very high	176 Å²	176	65 Å²	65	77%	0.765	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-58.9	-33.5	-179.5	-71	-176.7	179.1	179.6	0	112.4	G80 Q81	K78-G80 PolarHBondContact O-N 3.39Å; K78-Q81 PolarHBondContact O-N 3.2Å
79	L	98	Very high	98.3	Very high	87 Å²	87	68 Å²	68	46%	0.455	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-60.5	-34.8	179.2	-179	63.4	0	0	0	111.9	F58 Y63 T77 P82	F58-L79 HydrophobicContact CB-CD2 3.99Å; F58-L79 HydrophobicContact CD1-CD2 4.07Å; F58-L79 HydrophobicContact CG-CD2 4.22Å; Y63-L79 HydrophobicContact CD1-CD2 4.32Å; Y63-L79 HydrophobicContact CD2-CD2 4.45Å; Y63-L79 HydrophobicContact CD2-CG 4.21Å; Y63-L79 HydrophobicContact CG-CD2 4.04Å; Y63-L79 HydrophobicContact CG-CG 4.23Å; T77-L79 PolarHBondContact O-N 3.33Å; L79-P82 WeakPolarHBondContact O-CD 3.42Å
80	G	98.5	Very high	98.3	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-87.8	-4.4	-178.1	0	0	0	0	0	116.2	Y63 A75 T77 K78 D83 A84	Y63-G80 WeakPolarHBondContact O-CA 3.48Å; A75-G80 VanDerWaalsContact CB-C 3.45Å; A75-G80 WeakPolarHBondContact CB-O 3.48Å; T77-G80 PolarHBondContact O-N 2.97Å; T77-G80 VanDerWaalsContact O-N 3.13Å; K78-G80 PolarHBondContact O-N 3.39Å; G80-D83 PolarHBondContact O-N 3.2Å; G80-A84 WeakPolarHBondContact O-CB 3.48Å; G80-A84 PolarHBondContact O-N 3.43Å
81	Q	98.6	Very high	98.2	Very high	106 Å²	106	68.6 Å²	68.6	50%	0.495	36%	0.356	S	S	.	.	H	α-helix	trans	-57.8	-48.1	179.5	-67.8	177.6	-15.1	0	0	112.6	A75 K78 D83 A84 E85	A75-Q81 HydrophobicContact CB-CB 4.49Å; A75-Q81 HydrophobicContact CB-CG 4.02Å; K78-Q81 PolarHBondContact O-N 3.2Å; Q81-D83 VanDerWaalsContact C-N 3.35Å; Q81-D83 PolarHBondContact O-N 3.46Å; Q81-A84 PolarHBondContact O-N 2.97Å; Q81-E85 WeakPolarHBondContact O-CG 3.24Å; Q81-E85 PolarHBondContact O-N 2.82Å; Q81-E85 VanDerWaalsContact O-N 3.1Å
82	P	98.5	Very high	98.1	Very high	83 Å²	83	72.8 Å²	72.8	54%	0.539	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-43	179.7	-21	34.1	0	0	0	112.2	L79 Q86	L79-P82 WeakPolarHBondContact O-CD 3.42Å; P82-Q86 VanDerWaalsContact O-CB 3.23Å; P82-Q86 WeakPolarHBondContact O-CB 3.36Å; P82-Q86 PolarHBondContact O-N 3.46Å
83	D	98.3	Very high	98.1	Very high	41 Å²	41	70.6 Å²	70.6	22%	0.219	37%	0.365	C	S	.	.	H	α-helix	trans	-67.2	-44.3	-179.7	-76.9	-30.8	0	0	0	111.8	Y63 V64 G80 Q81 E85 Q86 W87	Y63-D83 WeakPolarHBondContact CE2-OD2 3.34Å; V64-D83 HydrophobicContact CG1-CB 4.4Å; G80-D83 PolarHBondContact O-N 3.2Å; Q81-D83 VanDerWaalsContact C-N 3.35Å; Q81-D83 PolarHBondContact O-N 3.46Å; D83-E85 PolarHBondContact O-N 3Å; D83-Q86 PolarHBondContact O-N 3.31Å; D83-W87 HydrophobicContact CB-CD2 4.11Å; D83-W87 HydrophobicContact CB-CE3 4.23Å; D83-W87 HydrophobicContact CB-CH2 3.98Å; D83-W87 HydrophobicContact CB-CZ2 3.78Å; D83-W87 HydrophobicContact CB-CZ3 4.19Å; D83-W87 WeakPolarHBondContact O-CB 3.48Å; D83-W87 PolarHBondContact O-N 3.25Å
84	A	98.4	Very high	98	Very high	8 Å²	8	70.8 Å²	70.8	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-44.8	178.4	0	0	0	0	0	111.6	V64 F73 A75 G80 Q81 N88	V64-A84 HydrophobicContact CG2-CB 4.02Å; F73-A84 HydrophobicContact CB-CB 4.48Å; A75-A84 HydrophobicContact CB-CB 3.87Å; G80-A84 WeakPolarHBondContact O-CB 3.48Å; G80-A84 PolarHBondContact O-N 3.43Å; Q81-A84 PolarHBondContact O-N 2.97Å; A84-N88 VanDerWaalsContact O-CB 3.24Å; A84-N88 WeakPolarHBondContact O-CB 3.47Å; A84-N88 PolarHBondContact O-N 3.33Å; A84-N88 VanDerWaalsContact O-N 3.08Å; A84-N88 PolarHBondContact O-ND2 3.46Å
85	E	97.9	Very high	97.9	Very high	146 Å²	146	73.1 Å²	73.1	68%	0.682	37%	0.374	S	S	*	.	H	α-helix	trans	-62.6	-49.3	176	-72.1	177.8	-173.1	0	0	111.3	Q81 D83 S89	Q81-E85 WeakPolarHBondContact O-CG 3.24Å; Q81-E85 PolarHBondContact O-N 2.82Å; Q81-E85 VanDerWaalsContact O-N 3.1Å; D83-E85 PolarHBondContact O-N 3Å; E85-S89 PolarHBondContact O-N 3.06Å; E85-S89 VanDerWaalsContact O-N 3.15Å
86	Q	98.1	Very high	97.9	Very high	109 Å²	109	80.6 Å²	80.6	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-47.8	-178.8	-175.2	-179.2	-1.4	0	0	112	P82 D83 S89 R90	P82-Q86 VanDerWaalsContact O-CB 3.23Å; P82-Q86 WeakPolarHBondContact O-CB 3.36Å; P82-Q86 PolarHBondContact O-N 3.46Å; D83-Q86 PolarHBondContact O-N 3.31Å; Q86-S89 PolarHBondContact O-N 3.5Å; Q86-S89 PolarHBondContact O-OG 3.18Å; Q86-R90 PolarHBondContact O-N 3.45Å
87	W	98.4	Very high	97.8	Very high	37 Å²	37	77.7 Å²	77.7	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-71.4	-33.2	-175.7	-62.8	-8.3	0	0	0	112.4	F56 V64 F73 D83 S89 R90 L93	F56-W87 HydrophobicContact CD1-CH2 4.03Å; F56-W87 AromaticContact CD2-CH2 3.87Å; F56-W87 HydrophobicContact CD2-CH2 3.87Å; F56-W87 AromaticContact CD2-CZ3 3.57Å; F56-W87 HydrophobicContact CD2-CZ3 3.57Å; F56-W87 AromaticContact CE1-CH2 3.99Å; F56-W87 HydrophobicContact CE1-CH2 3.99Å; F56-W87 HydrophobicContact CE1-CZ3 4.4Å; F56-W87 HydrophobicContact CE2-CE3 4.36Å; F56-W87 AromaticContact CE2-CH2 3.83Å; F56-W87 HydrophobicContact CE2-CH2 3.83Å; F56-W87 AromaticContact CE2-CZ3 3.41Å; F56-W87 HydrophobicContact CE2-CZ3 3.41Å; F56-W87 VanDerWaalsContact CE2-CZ3 3.41Å; F56-W87 AromaticContact CG-CH2 3.96Å; F56-W87 HydrophobicContact CG-CH2 3.96Å; F56-W87 HydrophobicContact CG-CZ3 4.14Å; F56-W87 AromaticContact CZ-CH2 3.89Å; F56-W87 HydrophobicContact CZ-CH2 3.89Å; F56-W87 AromaticContact CZ-CZ3 3.86Å; F56-W87 HydrophobicContact CZ-CZ3 3.86Å; V64-W87 HydrophobicContact CB-CZ3 4.47Å; V64-W87 HydrophobicContact CG1-CE3 4.46Å; V64-W87 HydrophobicContact CG1-CH2 3.82Å; V64-W87 HydrophobicContact CG1-CZ3 3.48Å; V64-W87 VanDerWaalsContact CG1-CZ3 3.48Å; V64-W87 HydrophobicContact CG2-CE3 4.35Å; V64-W87 HydrophobicContact CG2-CZ3 4.09Å; F73-W87 HydrophobicContact CD1-CD2 4.48Å; F73-W87 AromaticContact CD1-CE3 3.41Å; F73-W87 HydrophobicContact CD1-CE3 3.41Å; F73-W87 VanDerWaalsContact CD1-CE3 3.41Å; F73-W87 AromaticContact CD1-CZ3 3.96Å; F73-W87 HydrophobicContact CD1-CZ3 3.96Å; F73-W87 HydrophobicContact CD2-CB 3.78Å; F73-W87 HydrophobicContact CE1-CD2 4.49Å; F73-W87 AromaticContact CE1-CE3 3.57Å; F73-W87 HydrophobicContact CE1-CE3 3.57Å; F73-W87 HydrophobicContact CE1-CZ3 4.06Å; F73-W87 HydrophobicContact CE2-CB 4.03Å; F73-W87 HydrophobicContact CG-CB 4.09Å; F73-W87 AromaticContact CG-CE3 3.94Å; F73-W87 HydrophobicContact CG-CE3 3.94Å; F73-W87 HydrophobicContact CZ-CE3 4.27Å; D83-W87 HydrophobicContact CB-CD2 4.11Å; D83-W87 HydrophobicContact CB-CE3 4.23Å; D83-W87 HydrophobicContact CB-CH2 3.98Å; D83-W87 HydrophobicContact CB-CZ2 3.78Å; D83-W87 HydrophobicContact CB-CZ3 4.19Å; D83-W87 WeakPolarHBondContact O-CB 3.48Å; D83-W87 PolarHBondContact O-N 3.25Å; W87-S89 VanDerWaalsContact C-N 3.31Å; W87-R90 PolarHBondContact O-N 2.8Å; W87-L93 HydrophobicContact CB-CD2 3.71Å; W87-L93 HydrophobicContact CD2-CD2 4.44Å; W87-L93 HydrophobicContact CG-CD2 3.75Å
88	N	98.4	Very high	97.8	Very high	35 Å²	35	82 Å²	82	19%	0.187	39%	0.393	C	S	.	.	H	α-helix	trans	-71.1	-26	173.2	-72.3	-36.8	0	0	0	113.1	M72 F73 A84 R90	M72-N88 WeakPolarHBondContact CB-OD1 3.29Å; M72-N88 WeakPolarHBondContact CE-ND2 3.43Å; F73-N88 PolarHBondContact N-OD1 2.99Å; F73-N88 PolarHBondContact O-ND2 3.44Å; A84-N88 VanDerWaalsContact O-CB 3.24Å; A84-N88 WeakPolarHBondContact O-CB 3.47Å; A84-N88 PolarHBondContact O-N 3.33Å; A84-N88 VanDerWaalsContact O-N 3.08Å; A84-N88 PolarHBondContact O-ND2 3.46Å; N88-R90 PolarHBondContact O-N 2.7Å
89	S	97.8	Very high	97.8	Very high	89 Å²	89	79.8 Å²	79.8	62%	0.622	39%	0.385	S	S	*	.	H	α-helix	trans	-72.8	-18.6	172.8	78.4	0	0	0	0	113.3	E85 Q86 W87 L91	E85-S89 PolarHBondContact O-N 3.06Å; E85-S89 VanDerWaalsContact O-N 3.15Å; Q86-S89 PolarHBondContact O-N 3.5Å; Q86-S89 PolarHBondContact O-OG 3.18Å; W87-S89 VanDerWaalsContact C-N 3.31Å; S89-L91 PolarHBondContact O-N 2.84Å
90	R	98.1	Very high	97.8	Very high	104 Å²	104	76.1 Å²	76.1	39%	0.392	37%	0.368	S	S	.	.			trans	-90.8	93.1	177.7	-80.6	-171.5	52.5	-160.7	-9.2	111.5	Q86 W87 N88 D92 L93 L94	Q86-R90 PolarHBondContact O-N 3.45Å; W87-R90 PolarHBondContact O-N 2.8Å; N88-R90 PolarHBondContact O-N 2.7Å; R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 WeakPolarHBondContact CB-OD1 3.37Å; R90-D92 IonicContact CZ-OD2 3.21Å; R90-D92 IonicContact NE-OD1 2.7Å; R90-D92 PolarHBondContact NE-OD1 3.1Å; R90-D92 IonicContact NE-OD2 3.03Å; R90-D92 IonicContact NH2-OD1 2.83Å; R90-D92 IonicContact NH2-OD2 2.69Å; R90-D92 PolarHBondContact NH2-OD2 3.47Å; R90-D92 PolarHBondContact O-N 3Å; R90-L93 HydrophobicContact CB-CB 4.01Å; R90-L93 PolarHBondContact O-N 3.33Å; R90-L93 VanDerWaalsContact O-N 3.13Å; R90-L94 PolarHBondContact O-N 2.96Å
91	L	96.3	Very high	97.8	Very high	114 Å²	114	77.1 Å²	77.1	60%	0.597	37%	0.374	S	S	*	.	H	α-helix	trans	-58.6	-37.2	-178.4	-62.9	178.7	0	0	0	113	S89 L93 L94 E95	S89-L91 PolarHBondContact O-N 2.84Å; L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 2.98Å; L91-L94 PolarHBondContact O-N 2.84Å; L91-E95 WeakPolarHBondContact O-CB 3.44Å; L91-E95 WeakPolarHBondContact O-CG 3.38Å; L91-E95 PolarHBondContact O-N 2.86Å
92	D	97.1	Very high	97.8	Very high	99 Å²	99	76.6 Å²	76.6	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-41.7	176.8	66.3	-54.9	0	0	0	112.5	R90 R96	R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 WeakPolarHBondContact CB-OD1 3.37Å; R90-D92 IonicContact CZ-OD2 3.21Å; R90-D92 IonicContact NE-OD1 2.7Å; R90-D92 PolarHBondContact NE-OD1 3.1Å; R90-D92 IonicContact NE-OD2 3.03Å; R90-D92 IonicContact NH2-OD1 2.83Å; R90-D92 IonicContact NH2-OD2 2.69Å; R90-D92 PolarHBondContact NH2-OD2 3.47Å; R90-D92 PolarHBondContact O-N 3Å; D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.47Å; D92-R96 PolarHBondContact O-N 3.05Å
93	L	96.8	Very high	97.8	Very high	38 Å²	38	75 Å²	75	20%	0.199	37%	0.373	C	S	.	.	H	α-helix	trans	-74.7	-42.2	-179.9	179.5	60.6	0	0	0	111.1	F73 W87 R90 L91 S97	F73-L93 HydrophobicContact CE2-CD2 4.29Å; F73-L93 HydrophobicContact CE2-CG 4.14Å; F73-L93 HydrophobicContact CZ-CD2 4.32Å; F73-L93 HydrophobicContact CZ-CG 4.2Å; W87-L93 HydrophobicContact CB-CD2 3.71Å; W87-L93 HydrophobicContact CD2-CD2 4.44Å; W87-L93 HydrophobicContact CG-CD2 3.75Å; R90-L93 HydrophobicContact CB-CB 4.01Å; R90-L93 PolarHBondContact O-N 3.33Å; R90-L93 VanDerWaalsContact O-N 3.13Å; L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 2.98Å; L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 2.81Å; L93-S97 PolarHBondContact O-OG 2.97Å
94	L	96.7	Very high	97.8	Very high	12 Å²	12	75.8 Å²	75.8	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-45	-178.2	-172.3	63.6	0	0	0	111.4	F66 G71 M72 F73 R90 L91 S97 R98	F66-L94 HydrophobicContact CD2-CD1 4.44Å; F66-L94 HydrophobicContact CE2-CD1 3.98Å; G71-L94 WeakPolarHBondContact O-CD1 3.34Å; M72-L94 HydrophobicContact CB-CD1 4.16Å; F73-L94 HydrophobicContact CD2-CD1 4.27Å; F73-L94 HydrophobicContact CE2-CD1 4.42Å; R90-L94 PolarHBondContact O-N 2.96Å; L91-L94 PolarHBondContact O-N 2.84Å; L94-S97 PolarHBondContact O-N 3.09Å; L94-R98 VanDerWaalsContact O-CG 3.3Å; L94-R98 WeakPolarHBondContact O-CG 3.41Å; L94-R98 PolarHBondContact O-N 2.84Å
95	E	97.4	Very high	97.8	Very high	107 Å²	107	75.5 Å²	75.5	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-48.9	175.6	-72.7	177.5	176.1	0	0	111.3	L91 S97 R98 E99	L91-E95 WeakPolarHBondContact O-CB 3.44Å; L91-E95 WeakPolarHBondContact O-CG 3.38Å; L91-E95 PolarHBondContact O-N 2.86Å; E95-S97 PolarHBondContact O-N 2.81Å; E95-R98 WeakPolarHBondContact O-CB 3.11Å; E95-R98 PolarHBondContact O-N 2.95Å; E95-R98 VanDerWaalsContact O-N 3.07Å; E95-E99 WeakPolarHBondContact O-CG 3.21Å; E95-E99 PolarHBondContact O-N 2.77Å
96	R	97.3	Very high	97.8	Very high	191 Å²	191	70.8 Å²	70.8	72%	0.721	35%	0.353	S	S	*	.	H	α-helix	trans	-57	-38.3	175.6	-179.9	179.8	-78.7	-176	-3.2	112.6	D92 E99 A100	D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.47Å; D92-R96 PolarHBondContact O-N 3.05Å; R96-E99 PolarHBondContact O-N 3.27Å; R96-A100 PolarHBondContact O-N 3.32Å
97	S	97.4	Very high	97.8	Very high	14 Å²	14	70.1 Å²	70.1	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-69.7	-35.8	178.5	-56.7	0	0	0	0	112.1	F66 L93 L94 E95 A100	F66-S97 WeakPolarHBondContact CE1-O 3.48Å; L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 2.81Å; L93-S97 PolarHBondContact O-OG 2.97Å; L94-S97 PolarHBondContact O-N 3.09Å; E95-S97 PolarHBondContact O-N 2.81Å; S97-A100 WeakPolarHBondContact O-CB 2.96Å; S97-A100 PolarHBondContact O-N 3.27Å
98	R	97.9	Very high	97.8	Very high	125 Å²	125	72.5 Å²	72.5	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-66.7	-42.4	173.2	-69.8	165.6	177.9	174.6	-2.3	111.6	F66 G71 L94 E95 A100	F66-R98 HydrophobicContact CE2-CG 4.25Å; F66-R98 HydrophobicContact CZ-CB 4.48Å; F66-R98 HydrophobicContact CZ-CG 3.77Å; G71-R98 VanDerWaalsContact O-CZ 3.31Å; G71-R98 PolarHBondContact O-NE 2.87Å; G71-R98 PolarHBondContact O-NH2 2.82Å; L94-R98 VanDerWaalsContact O-CG 3.3Å; L94-R98 WeakPolarHBondContact O-CG 3.41Å; L94-R98 PolarHBondContact O-N 2.84Å; E95-R98 WeakPolarHBondContact O-CB 3.11Å; E95-R98 PolarHBondContact O-N 2.95Å; E95-R98 VanDerWaalsContact O-N 3.07Å; R98-A100 PolarHBondContact O-N 2.8Å
99	E	98.1	Very high	97.8	Very high	130 Å²	130	73.3 Å²	73.3	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-66.8	-19.8	178	-70.7	177.9	169.1	0	0	113.4	E95 R96 V101 D102 G103	E95-E99 WeakPolarHBondContact O-CG 3.21Å; E95-E99 PolarHBondContact O-N 2.77Å; R96-E99 PolarHBondContact O-N 3.27Å; E99-V101 PolarHBondContact O-N 2.92Å; E99-V101 VanDerWaalsContact O-N 3.14Å; E99-D102 PolarHBondContact O-N 2.88Å; E99-G103 PolarHBondContact O-N 2.89Å
100	A	98.4	Very high	97.8	Very high	10 Å²	10	76.3 Å²	76.3	8%	0.083	36%	0.363	C	S	.	.	H	α-helix	trans	-62.2	-21.4	-179	0	0	0	0	0	113.6	F52 R96 S97 R98 D102 V104 C105	F52-A100 HydrophobicContact CD1-CB 3.64Å; F52-A100 HydrophobicContact CE1-CB 3.27Å; F52-A100 HydrophobicContact CE2-CB 4.21Å; F52-A100 HydrophobicContact CG-CB 4.23Å; F52-A100 HydrophobicContact CZ-CB 3.57Å; R96-A100 PolarHBondContact O-N 3.32Å; S97-A100 WeakPolarHBondContact O-CB 2.96Å; S97-A100 PolarHBondContact O-N 3.27Å; R98-A100 PolarHBondContact O-N 2.8Å; A100-D102 VanDerWaalsContact C-N 3.26Å; A100-D102 PolarHBondContact O-N 3.35Å; A100-V104 HydrophobicContact CB-CB 4.32Å; A100-V104 HydrophobicContact CB-CG2 3.98Å; A100-V104 WeakPolarHBondContact O-CA 3.12Å; A100-V104 VanDerWaalsContact O-CB 3.26Å; A100-V104 WeakPolarHBondContact O-CB 3.4Å; A100-V104 PolarHBondContact O-N 3.01Å; A100-C105 PolarHBondContact O-N 3.21Å
101	V	98.6	Very high	97.8	Very high	21 Å²	21	76.2 Å²	76.2	13%	0.127	37%	0.37	C	S	.	.	I	π-helix	trans	-54.1	-46.8	169	176.6	0	0	0	0	110.5	V50 F52 E99 C105 R106	V50-V101 HydrophobicContact CB-CG1 3.94Å; V50-V101 HydrophobicContact CG1-CG1 3.96Å; F52-V101 HydrophobicContact CB-CG2 3.69Å; E99-V101 PolarHBondContact O-N 2.92Å; E99-V101 VanDerWaalsContact O-N 3.14Å; V101-C105 VanDerWaalsContact O-CB 3.27Å; V101-C105 WeakPolarHBondContact O-CB 3.22Å; V101-C105 PolarHBondContact O-N 3.15Å; V101-R106 WeakPolarHBondContact O-CG 3.4Å; V101-R106 PolarHBondContact O-N 2.79Å
102	D	98.3	Very high	97.8	Very high	95 Å²	95	71.2 Å²	71.2	51%	0.508	35%	0.347	S	S	.	.	I	π-helix	trans	-88.7	-48.9	-179.1	-67.1	-37.5	0	0	0	111.8	E99 A100 V104 R106 H107	E99-D102 PolarHBondContact O-N 2.88Å; A100-D102 VanDerWaalsContact C-N 3.26Å; A100-D102 PolarHBondContact O-N 3.35Å; D102-V104 VanDerWaalsContact C-N 3.35Å; D102-V104 PolarHBondContact O-N 2.85Å; D102-R106 WeakPolarHBondContact OD1-CD 3.33Å; D102-R106 IonicContact OD1-CZ 3.68Å; D102-R106 IonicContact OD1-NE 3.34Å; D102-R106 PolarHBondContact OD1-NE 2.94Å; D102-H107 PolarHBondContact O-N 2.83Å; D102-H107 VanDerWaalsContact O-N 3.11Å
103	G	97.8	Very high	97.9	Very high	50 Å²	50	67.7 Å²	67.7	52%	0.515	33%	0.331	S	S	.	.	I	π-helix	trans	-70.3	-27	-173.7	0	0	0	0	0	114.3	E99 H107	E99-G103 PolarHBondContact O-N 2.89Å; G103-H107 VanDerWaalsContact O-CB 3.26Å; G103-H107 WeakPolarHBondContact O-CB 3.34Å
104	V	98	Very high	97.9	Very high	58 Å²	58	70.5 Å²	70.5	35%	0.352	35%	0.351	S	S	.	.	I	π-helix	trans	-112	-62.1	178.3	-177.2	0	0	0	0	110.4	A100 D102 N108	A100-V104 HydrophobicContact CB-CB 4.32Å; A100-V104 HydrophobicContact CB-CG2 3.98Å; A100-V104 WeakPolarHBondContact O-CA 3.12Å; A100-V104 VanDerWaalsContact O-CB 3.26Å; A100-V104 WeakPolarHBondContact O-CB 3.4Å; A100-V104 PolarHBondContact O-N 3.01Å; D102-V104 VanDerWaalsContact C-N 3.35Å; D102-V104 PolarHBondContact O-N 2.85Å; V104-N108 VanDerWaalsContact O-CB 3.23Å; V104-N108 WeakPolarHBondContact O-CB 3.25Å; V104-N108 VanDerWaalsContact O-CG 3.3Å; V104-N108 PolarHBondContact O-N 2.99Å; V104-N108 PolarHBondContact O-ND2 3.04Å
105	C	98.5	Very high	97.8	Very high	1 Å²	1	76.2 Å²	76.2	1%	0.007	38%	0.376	C	S	.	.	I	π-helix	trans	-66.9	-58.9	-169.9	-58.8	0	0	0	0	112.3	C41 F43 V50 F52 A100 V101 H107 N108 Y109	C41-C105 HydrophobicContact CB-CB 3.6Å; C41-C105 WeakPolarHBondContact CB-SG 3.39Å; C41-C105 WeakPolarHBondContact SG-CA 3.28Å; C41-C105 WeakPolarHBondContact SG-CB 3.34Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.43Å; F43-C105 HydrophobicContact CE1-CB 4.04Å; F43-C105 HydrophobicContact CZ-CB 3.86Å; F43-C105 WeakPolarHBondContact CZ-O 3.49Å; V50-C105 HydrophobicContact CG1-CB 3.59Å; F52-C105 WeakPolarHBondContact CD2-SG 3.39Å; A100-C105 PolarHBondContact O-N 3.21Å; V101-C105 VanDerWaalsContact O-CB 3.27Å; V101-C105 WeakPolarHBondContact O-CB 3.22Å; V101-C105 PolarHBondContact O-N 3.15Å; C105-H107 VanDerWaalsContact C-N 3.34Å; C105-H107 PolarHBondContact O-N 3.19Å; C105-N108 PolarHBondContact O-N 2.87Å; C105-Y109 WeakPolarHBondContact O-CB 3.39Å; C105-Y109 PolarHBondContact O-N 3Å
106	R	98.6	Very high	97.8	Very high	48 Å²	48	73.1 Å²	73.1	18%	0.181	37%	0.365	C	S	.	.	I	π-helix	trans	-66	-38	-179.5	-65.1	-177.5	-163.3	-95.4	-17.4	112.1	T47 V50 V101 D102 R110	T47-R106 VanDerWaalsContact O-CZ 3.29Å; T47-R106 PolarHBondContact O-NH1 3.36Å; T47-R106 PolarHBondContact O-NH2 3.5Å; V50-R106 HydrophobicContact CG2-CG 4.07Å; V101-R106 WeakPolarHBondContact O-CG 3.4Å; V101-R106 PolarHBondContact O-N 2.79Å; D102-R106 WeakPolarHBondContact OD1-CD 3.33Å; D102-R106 IonicContact OD1-CZ 3.68Å; D102-R106 IonicContact OD1-NE 3.34Å; D102-R106 PolarHBondContact OD1-NE 2.94Å; R106-R110 VanDerWaalsContact O-CG 3.28Å; R106-R110 WeakPolarHBondContact O-CG 3.47Å; R106-R110 PolarHBondContact O-N 3.24Å; R106-R110 VanDerWaalsContact O-N 3.08Å
107	H	98.2	Very high	97.7	Very high	95 Å²	95	68.3 Å²	68.3	44%	0.44	36%	0.356	S	S	.	.	H	α-helix	trans	-56.3	-55.7	175.5	-177.6	77.4	0	0	0	111.2	D102 G103 C105 Y109 R110 L111	D102-H107 PolarHBondContact O-N 2.83Å; D102-H107 VanDerWaalsContact O-N 3.11Å; G103-H107 VanDerWaalsContact O-CB 3.26Å; G103-H107 WeakPolarHBondContact O-CB 3.34Å; C105-H107 VanDerWaalsContact C-N 3.34Å; C105-H107 PolarHBondContact O-N 3.19Å; H107-Y109 PolarHBondContact O-N 3.28Å; H107-R110 PolarHBondContact O-N 3.36Å; H107-L111 WeakPolarHBondContact NE2-CD1 3.5Å; H107-L111 PolarHBondContact O-N 2.95Å
108	N	98.4	Very high	97.7	Very high	87 Å²	87	69.9 Å²	69.9	47%	0.465	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-34.8	-179.2	-71.6	-36.9	0	0	0	112.9	V104 C105 R110 L111 G112	V104-N108 VanDerWaalsContact O-CB 3.23Å; V104-N108 WeakPolarHBondContact O-CB 3.25Å; V104-N108 VanDerWaalsContact O-CG 3.3Å; V104-N108 PolarHBondContact O-N 2.99Å; V104-N108 PolarHBondContact O-ND2 3.04Å; C105-N108 PolarHBondContact O-N 2.87Å; N108-R110 VanDerWaalsContact C-N 3.34Å; N108-R110 PolarHBondContact O-N 2.93Å; N108-L111 PolarHBondContact O-N 2.02Å; N108-G112 WeakPolarHBondContact O-CA 3.43Å; N108-G112 PolarHBondContact O-N 3.31Å
109	Y	98.3	Very high	97.7	Very high	52 Å²	52	68.1 Å²	68.1	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-58.2	-47.2	173.7	-175.1	-80.3	0	0	0	111.2	F43 T47 C105 H107 L111 G112 A113 V117	F43-Y109 HydrophobicContact CB-CD2 4.41Å; F43-Y109 HydrophobicContact CB-CE2 4.23Å; F43-Y109 AromaticContact CD1-CD2 3.52Å; F43-Y109 HydrophobicContact CD1-CD2 3.52Å; F43-Y109 HydrophobicContact CD1-CE2 4.1Å; F43-Y109 HydrophobicContact CD1-CG 4.12Å; F43-Y109 AromaticContact CD2-CD2 3.96Å; F43-Y109 HydrophobicContact CD2-CD2 3.96Å; F43-Y109 HydrophobicContact CD2-CE2 4.44Å; F43-Y109 AromaticContact CE1-CD2 3.64Å; F43-Y109 HydrophobicContact CE1-CD2 3.64Å; F43-Y109 AromaticContact CE1-CG 3.93Å; F43-Y109 HydrophobicContact CE1-CG 3.93Å; F43-Y109 HydrophobicContact CE2-CD2 4.05Å; F43-Y109 AromaticContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CE2 4.01Å; F43-Y109 AromaticContact CZ-CD2 3.9Å; F43-Y109 HydrophobicContact CZ-CD2 3.9Å; F43-Y109 HydrophobicContact CZ-CG 4.32Å; T47-Y109 HydrophobicContact CG2-CD1 3.36Å; T47-Y109 HydrophobicContact CG2-CD2 4.4Å; T47-Y109 HydrophobicContact CG2-CE1 3.76Å; T47-Y109 HydrophobicContact CG2-CG 3.73Å; C105-Y109 WeakPolarHBondContact O-CB 3.39Å; C105-Y109 PolarHBondContact O-N 3Å; H107-Y109 PolarHBondContact O-N 3.28Å; Y109-L111 PolarHBondContact O-N 3.19Å; Y109-G112 PolarHBondContact O-N 2.94Å; Y109-A113 HydrophobicContact CD1-CB 4.4Å; Y109-A113 HydrophobicContact CE1-CB 4.22Å; Y109-A113 WeakPolarHBondContact O-CA 3.43Å; Y109-A113 VanDerWaalsContact O-CB 3.22Å; Y109-A113 WeakPolarHBondContact O-CB 3.46Å; Y109-A113 PolarHBondContact O-N 3.22Å; Y109-V117 HydrophobicContact CE2-CG2 3.85Å
110	R	97.7	Very high	97.7	Very high	151 Å²	151	68 Å²	68	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-63.6	-42.6	-179.4	-71.1	174.4	-167.7	123.4	-4	112.1	R106 H107 N108	R106-R110 VanDerWaalsContact O-CG 3.28Å; R106-R110 WeakPolarHBondContact O-CG 3.47Å; R106-R110 PolarHBondContact O-N 3.24Å; R106-R110 VanDerWaalsContact O-N 3.08Å; H107-R110 PolarHBondContact O-N 3.36Å; N108-R110 VanDerWaalsContact C-N 3.34Å; N108-R110 PolarHBondContact O-N 2.93Å
111	L	97.9	Very high	97.7	Very high	102 Å²	102	69.6 Å²	69.6	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-66.3	-41.4	175.9	-66.3	178.8	0	0	0	111.4	H107 N108 Y109 F115	H107-L111 WeakPolarHBondContact NE2-CD1 3.5Å; H107-L111 PolarHBondContact O-N 2.95Å; N108-L111 PolarHBondContact O-N 2.02Å; Y109-L111 PolarHBondContact O-N 3.19Å; L111-F115 WeakPolarHBondContact O-CE1 3Å; L111-F115 WeakPolarHBondContact O-CZ 3.03Å
112	G	97.6	Very high	97.7	Very high	10 Å²	10	74.6 Å²	74.6	10%	0.103	40%	0.396	C	S	.	.	H	α-helix	trans	-75	-34	-174.4	0	0	0	0	0	115.7	N108 Y109 P114 F115 T116	N108-G112 WeakPolarHBondContact O-CA 3.43Å; N108-G112 PolarHBondContact O-N 3.31Å; Y109-G112 PolarHBondContact O-N 2.94Å; G112-P114 VanDerWaalsContact C-N 3.34Å; G112-P114 VanDerWaalsContact O-N 3.13Å; G112-F115 VanDerWaalsContact CA-CE2 3.49Å; G112-F115 WeakPolarHBondContact O-CD2 3.42Å; G112-F115 WeakPolarHBondContact O-CG 3.44Å; G112-F115 PolarHBondContact O-N 3.42Å; G112-T116 PolarHBondContact O-N 2.92Å; G112-T116 PolarHBondContact O-OG1 3.06Å
113	A	97.2	Very high	97.7	Very high	25 Å²	25	70.8 Å²	70.8	21%	0.207	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-41.6	-165.6	0	0	0	0	0	114.6	Y109 F115 T116 V117 G118	Y109-A113 HydrophobicContact CD1-CB 4.4Å; Y109-A113 HydrophobicContact CE1-CB 4.22Å; Y109-A113 WeakPolarHBondContact O-CA 3.43Å; Y109-A113 VanDerWaalsContact O-CB 3.22Å; Y109-A113 WeakPolarHBondContact O-CB 3.46Å; Y109-A113 PolarHBondContact O-N 3.22Å; A113-F115 PolarHBondContact O-N 2.87Å; A113-T116 PolarHBondContact O-N 3.46Å; A113-V117 HydrophobicContact CB-CB 4.46Å; A113-V117 PolarHBondContact O-N 2.71Å; A113-V117 VanDerWaalsContact O-N 3.15Å; A113-G118 PolarHBondContact O-N 2.87Å
114	P	96.8	Very high	97.7	Very high	96 Å²	96	74.7 Å²	74.7	62%	0.623	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.1	-179.5	-25.1	35.8	0	0	0	114.2	G112	G112-P114 VanDerWaalsContact C-N 3.34Å; G112-P114 VanDerWaalsContact O-N 3.13Å
115	F	96	Very high	97.7	Very high	133 Å²	133	72.9 Å²	72.9	58%	0.583	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-4.3	-174.7	45.8	-94.5	0	0	0	114.3	L111 G112 A113 R119	L111-F115 WeakPolarHBondContact O-CE1 3Å; L111-F115 WeakPolarHBondContact O-CZ 3.03Å; G112-F115 VanDerWaalsContact CA-CE2 3.49Å; G112-F115 WeakPolarHBondContact O-CD2 3.42Å; G112-F115 WeakPolarHBondContact O-CG 3.44Å; G112-F115 PolarHBondContact O-N 3.42Å; A113-F115 PolarHBondContact O-N 2.87Å; F115-R119 WeakPolarHBondContact O-CB 3.45Å
116	T	96.8	Very high	97.7	Very high	42 Å²	42	75.4 Å²	75.4	26%	0.258	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-73.6	171.1	58.7	0	0	0	0	111.1	G112 A113 G118 R119 W179	G112-T116 PolarHBondContact O-N 2.92Å; G112-T116 PolarHBondContact O-OG1 3.06Å; A113-T116 PolarHBondContact O-N 3.46Å; T116-G118 PolarHBondContact O-N 2.69Å; T116-R119 WeakPolarHBondContact O-CB 3.47Å; T116-R119 PolarHBondContact O-N 3.28Å; T116-W179 HydrophobicContact CG2-CH2 3.99Å; T116-W179 HydrophobicContact CG2-CZ3 4.11Å
117	V	96.3	Very high	97.7	Very high	89 Å²	89	74.2 Å²	74.2	54%	0.539	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-41.6	-176.4	-179	0	0	0	0	111.9	Y109 A113 R119	Y109-V117 HydrophobicContact CE2-CG2 3.85Å; A113-V117 HydrophobicContact CB-CB 4.46Å; A113-V117 PolarHBondContact O-N 2.71Å; A113-V117 VanDerWaalsContact O-N 3.15Å; V117-R119 VanDerWaalsContact C-N 3.3Å
118	G	96.3	Very high	97.6	Very high	47 Å²	47	74.5 Å²	74.5	49%	0.485	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.9	178.6	0	0	0	0	0	113.9	A113 T116 K120	A113-G118 PolarHBondContact O-N 2.87Å; T116-G118 PolarHBondContact O-N 2.69Å; G118-K120 PolarHBondContact O-N 2.83Å
119	R	97.7	Very high	97.5	Very high	88 Å²	88	72 Å²	72	33%	0.332	37%	0.37	S	S	.	.			trans	-67.6	127.4	-179	179.6	-179.1	171.3	79.3	-1.8	109.8	F115 T116 V117 V121 Y149	F115-R119 WeakPolarHBondContact O-CB 3.45Å; T116-R119 WeakPolarHBondContact O-CB 3.47Å; T116-R119 PolarHBondContact O-N 3.28Å; V117-R119 VanDerWaalsContact C-N 3.3Å; R119-V121 HydrophobicContact CG-CG2 4.43Å; R119-Y149 HydrophobicContact CB-CD1 3.96Å; R119-Y149 HydrophobicContact CB-CE1 3.89Å; R119-Y149 HydrophobicContact CG-CD1 3.7Å; R119-Y149 HydrophobicContact CG-CE1 4.05Å; R119-Y149 HydrophobicContact CG-CG 4.44Å; R119-Y149 WeakPolarHBondContact O-CD1 3.36Å
120	K	98.3	Very high	97.3	Very high	128 Å²	128	73.4 Å²	73.4	56%	0.557	38%	0.378	S	S	*	.			trans	-137.7	123.2	179.6	-75.4	-179.1	174.9	-162.8	0	109.1	G118 Y149 S204	G118-K120 PolarHBondContact O-N 2.83Å; K120-Y149 CarbonylContact C-O 3.58Å; K120-Y149 WeakPolarHBondContact CA-O 3.46Å; K120-S204 WeakPolarHBondContact CD-O 3.49Å; K120-S204 WeakPolarHBondContact CE-O 3.35Å; K120-S204 PolarHBondContact NZ-O 2.93Å
121	V	98.4	Very high	97.1	Very high	44 Å²	44	74.3 Å²	74.3	27%	0.267	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-125.2	133.4	177	-172.1	0	0	0	0	107.9	R119 G147 Y149 H203 S205	R119-V121 HydrophobicContact CG-CG2 4.43Å; V121-G147 WeakPolarHBondContact CG1-O 3.36Å; V121-Y149 PolarHBondContact N-O 2.95Å; V121-Y149 PolarHBondContact O-N 3.47Å; V121-H203 PolarHBondContact O-CE1 3.46Å; V121-H203 VanDerWaalsContact O-CE1 3.28Å; V121-S205 VanDerWaalsContact C-OG 3.28Å; V121-S205 WeakPolarHBondContact O-CB 3.04Å; V121-S205 PolarHBondContact O-OG 2.9Å
122	Q	98.5	Very high	96.7	Very high	125 Å²	125	75.4 Å²	75.4	58%	0.584	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-77.7	141	-177.4	-66.9	-175.7	8.9	0	0	111.3	S205 L206	Q122-S205 VanDerWaalsContact CA-OG 3.24Å; Q122-S205 WeakPolarHBondContact CA-OG 3.49Å; Q122-S205 PolarHBondContact N-OG 3.42Å; Q122-S205 PolarHBondContact NE2-O 2.87Å; Q122-L206 HydrophobicContact CB-CD2 4.17Å; Q122-L206 HydrophobicContact CG-CD2 3.9Å
123	P	98.6	Very high	96.2	Very high	15 Å²	15	75.7 Å²	75.7	10%	0.097	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-70.9	145.1	173.3	27	-31.9	0	0	0	111.8	V125 V145 T146 F148 V201 H203 L206	P123-V125 HydrophobicContact CB-CG2 4.28Å; P123-V125 HydrophobicContact CG-CG2 4.41Å; P123-V145 HydrophobicContact CB-CG1 3.48Å; P123-V145 VanDerWaalsContact CB-CG1 3.48Å; P123-V145 HydrophobicContact CG-CG1 4.42Å; P123-T146 WeakPolarHBondContact CA-O 3.42Å; P123-F148 HydrophobicContact CB-CB 3.79Å; P123-F148 HydrophobicContact CB-CD1 4.18Å; P123-F148 HydrophobicContact CB-CG 4.25Å; P123-F148 HydrophobicContact CG-CB 4.46Å; P123-V201 HydrophobicContact CG-CG1 4.16Å; P123-H203 HydrophobicContact CG-CB 4.41Å; P123-L206 HydrophobicContact CG-CD1 3.97Å; P123-L206 HydrophobicContact CG-CG 4.47Å
124	E	98.4	Very high	95.9	Very high	132 Å²	132	78.1 Å²	78.1	62%	0.617	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.5	157.2	-173.6	174.1	-176.9	0	0	108.5	V145 T146	E124-V145 WeakPolarHBondContact O-CA 3.33Å; E124-T146 PolarHBondContact N-O 3.18Å; E124-T146 PolarHBondContact O-N 2.78Å
125	V	98.6	Very high	95.6	Very high	20 Å²	20	76.9 Å²	76.9	12%	0.121	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.9	-175.5	-173.9	0	0	0	0	108.9	P123 V145 V201 V210 V212	P123-V125 HydrophobicContact CB-CG2 4.28Å; P123-V125 HydrophobicContact CG-CG2 4.41Å; V125-V145 HydrophobicContact CG1-CG2 4.37Å; V125-V145 HydrophobicContact CG2-CG1 4.35Å; V125-V145 HydrophobicContact CG2-CG2 4.48Å; V125-V201 HydrophobicContact CG1-CG2 3.91Å; V125-V201 HydrophobicContact CG2-CB 4.18Å; V125-V201 HydrophobicContact CG2-CG1 4.42Å; V125-V201 HydrophobicContact CG2-CG2 3.8Å; V125-V210 HydrophobicContact CB-CG1 4.19Å; V125-V210 HydrophobicContact CG2-CB 4.47Å; V125-V210 HydrophobicContact CG2-CG1 3.94Å; V125-V212 HydrophobicContact CB-CG2 3.88Å; V125-V212 HydrophobicContact CG1-CB 4.26Å; V125-V212 HydrophobicContact CG1-CG2 3.58Å
126	T	98.1	Very high	95.3	Very high	55 Å²	55	77.1 Å²	77.1	34%	0.337	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138	177.7	55.6	0	0	0	0	110.2	C143 S144	T126-C143 CarbonylContact O-C 3.54Å; T126-C143 WeakPolarHBondContact O-CA 3.41Å; T126-S144 PolarHBondContact N-O 3.27Å; T126-S144 PolarHBondContact O-N 3.4Å; T126-S144 PolarHBondContact OG1-O 2.81Å
127	V	98.1	Very high	95.1	Very high	23 Å²	23	80.3 Å²	80.3	14%	0.139	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.4	177.9	178.7	0	0	0	0	110	L141 H142 C143 W157 C199 V212 W214	V127-L141 HydrophobicContact CG1-CD1 3.83Å; V127-L141 HydrophobicContact CG1-CD2 3.95Å; V127-L141 HydrophobicContact CG1-CG 3.81Å; V127-H142 VanDerWaalsContact CA-O 3.25Å; V127-H142 WeakPolarHBondContact CA-O 3.1Å; V127-C143 HydrophobicContact CG2-CB 4.26Å; V127-W157 HydrophobicContact CG1-CH2 3.75Å; V127-W157 HydrophobicContact CG1-CZ3 4.34Å; V127-W157 HydrophobicContact CG2-CH2 4.25Å; V127-C199 HydrophobicContact CG2-CB 3.67Å; V127-V212 HydrophobicContact CB-CG1 3.9Å; V127-V212 HydrophobicContact CG2-CB 3.78Å; V127-V212 HydrophobicContact CG2-CG1 3.62Å; V127-W214 HydrophobicContact CB-CB 4.35Å; V127-W214 HydrophobicContact CG1-CB 3.52Å; V127-W214 HydrophobicContact CG1-CG 4.02Å
128	Y	96.2	Very high	95.1	Very high	101 Å²	101	81.9 Å²	81.9	40%	0.396	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.9	-178.7	58.3	-88.4	0	0	0	111.2	H142	Y128-H142 HydrophobicContact CD2-CB 4.16Å; Y128-H142 HydrophobicContact CE1-CB 4.21Å; Y128-H142 HydrophobicContact CE2-CB 3.79Å; Y128-H142 AromaticContact CE2-CG 3.99Å; Y128-H142 AromaticContact CE2-ND1 3.69Å; Y128-H142 PolarHBondContact N-O 3.49Å; Y128-H142 WeakPolarHBondContact O-CB 3.47Å; Y128-H142 PolarHBondContact O-N 3.45Å
129	P	96.7	Very high	95.1	Very high	33 Å²	33	80.2 Å²	80.2	21%	0.214	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	153.2	176.3	36.2	-36	0	0	0	110.4	R131 A133 L140 L141 M189 W214	P129-R131 VanDerWaalsContact C-N 3.26Å; P129-R131 VanDerWaalsContact CB-O 3.26Å; P129-R131 WeakPolarHBondContact CB-O 3.39Å; P129-R131 WeakPolarHBondContact CG-O 3.39Å; P129-R131 PolarHBondContact O-N 3.45Å; P129-A133 HydrophobicContact CB-CB 4.31Å; P129-A133 HydrophobicContact CG-CB 4.46Å; P129-L140 CarbonylContact C-O 3.59Å; P129-L140 WeakPolarHBondContact CA-O 3.32Å; P129-L141 HydrophobicContact CB-CD1 4.2Å; P129-M189 HydrophobicContact CB-CE 4.23Å; P129-W214 HydrophobicContact CB-CZ2 4.23Å; P129-W214 HydrophobicContact CG-CZ2 4.08Å
130	E	94	Very high	95	Very high	82 Å²	82	77.5 Å²	77.5	38%	0.383	38%	0.379	S	S	.	.	S	Bend	trans	-60.1	-41.4	175.7	-171.1	-158.6	144.3	0	0	110.7	L140	E130-L140 HydrophobicContact CB-CB 4.09Å; E130-L140 PolarHBondContact N-O 3.11Å; E130-L140 WeakPolarHBondContact OE2-CD1 3.45Å
131	R	92.6	Very high	95	Very high	170 Å²	170	71.4 Å²	71.4	64%	0.642	35%	0.353	S	S	*	.	S	Bend	trans	-131.5	166.9	178.4	-57.6	177.9	-161.7	166.3	9.6	110.2	P129 A133 N139	P129-R131 VanDerWaalsContact C-N 3.26Å; P129-R131 VanDerWaalsContact CB-O 3.26Å; P129-R131 WeakPolarHBondContact CB-O 3.39Å; P129-R131 WeakPolarHBondContact CG-O 3.39Å; P129-R131 PolarHBondContact O-N 3.45Å; R131-A133 PolarHBondContact O-N 3.01Å; R131-N139 PolarHBondContact N-OD1 3.44Å; R131-N139 PolarHBondContact O-ND2 2.94Å
132	T	89.3	Confident	95	Very high	125 Å²	125	70.8 Å²	70.8	77%	0.767	35%	0.347	S	S	*	.			trans	-50.8	114.5	172.3	-54.2	0	0	0	0	110	L134	T132-L134 PolarHBondContact O-N 3.02Å
133	A	88.1	Confident	95	Very high	17 Å²	17	64.9 Å²	64.9	14%	0.14	32%	0.319	C	S	.	.			trans	-76.4	124.8	-174.8	0	0	0	0	0	111	P129 R131 N139 P191 W214 V216	P129-A133 HydrophobicContact CB-CB 4.31Å; P129-A133 HydrophobicContact CG-CB 4.46Å; R131-A133 PolarHBondContact O-N 3.01Å; A133-N139 WeakPolarHBondContact CA-ND2 3.26Å; A133-P191 HydrophobicContact CB-CG 4.5Å; A133-W214 HydrophobicContact CB-CH2 3.47Å; A133-W214 VanDerWaalsContact CB-CH2 3.47Å; A133-W214 HydrophobicContact CB-CZ2 3.64Å; A133-V216 HydrophobicContact CB-CG2 4.44Å
134	L	89.5	Confident	95	Very high	76 Å²	76	64.9 Å²	64.9	40%	0.398	32%	0.319	S	S	.	.			trans	-117	143.6	176.6	-64.1	176.2	0	0	0	109.2	T132 H136 Q137 P191	T132-L134 PolarHBondContact O-N 3.02Å; L134-H136 PolarHBondContact O-N 3.5Å; L134-Q137 HydrophobicContact CB-CB 4.25Å; L134-Q137 HydrophobicContact CB-CG 4.1Å; L134-Q137 PolarHBondContact O-N 2.6Å; L134-P191 WeakPolarHBondContact O-CG 3.45Å
135	L	90.7	Very high	95	Very high	69 Å²	69	58.6 Å²	58.6	36%	0.361	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	138.4	179.4	-69.7	170.1	0	0	0	110.9	Q137 P191 L193 V216	L135-Q137 PolarHBondContact O-N 2.87Å; L135-Q137 VanDerWaalsContact O-N 3.16Å; L135-P191 WeakPolarHBondContact CA-O 3.49Å; L135-L193 HydrophobicContact CD1-CD1 4.47Å; L135-L193 HydrophobicContact CD2-CB 4.23Å; L135-V216 HydrophobicContact CD2-CG1 3.86Å; L135-V216 HydrophobicContact CD2-CG2 4.39Å
136	H	91.2	Very high	95	Very high	138 Å²	138	59.4 Å²	59.4	64%	0.639	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	14.3	179.6	-42.9	89	0	0	0	115.2	L134 T190 P191	L134-H136 PolarHBondContact O-N 3.5Å; H136-T190 VanDerWaalsContact C-CG2 3.49Å; H136-P191 PolarHBondContact N-O 2.97Å
137	Q	92.8	Very high	95	Very high	109 Å²	109	58 Å²	58	51%	0.509	29%	0.292	S	S	.	.	S	Bend	trans	-109.7	135.2	173.6	-63.6	-169.7	5.5	0	0	110.7	L134 L135 P191	L134-Q137 HydrophobicContact CB-CB 4.25Å; L134-Q137 HydrophobicContact CB-CG 4.1Å; L134-Q137 PolarHBondContact O-N 2.6Å; L135-Q137 PolarHBondContact O-N 2.87Å; L135-Q137 VanDerWaalsContact O-N 3.16Å; Q137-P191 VanDerWaalsContact O-CD 3.26Å; Q137-P191 WeakPolarHBondContact O-CD 3.47Å
138	H	95.7	Very high	95	Very high	122 Å²	122	57 Å²	57	57%	0.565	29%	0.286	S	S	*	.			trans	-61.2	138.5	177.1	178.1	72.6	0	0	0	111.5	M189	H138-M189 WeakPolarHBondContact CA-O 3.26Å
139	N	95.3	Very high	95.1	Very high	12 Å²	12	54 Å²	54	6%	0.064	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	168.1	177.8	-155.6	-15.6	0	0	0	110.2	R131 A133 M189	R131-N139 PolarHBondContact N-OD1 3.44Å; R131-N139 PolarHBondContact O-ND2 2.94Å; A133-N139 WeakPolarHBondContact CA-ND2 3.26Å; N139-M189 HydrophobicContact CB-CE 4.09Å; N139-M189 PolarHBondContact N-O 2.99Å; N139-M189 PolarHBondContact O-N 3.06Å; N139-M189 VanDerWaalsContact O-O 3.07Å
140	L	96.8	Very high	95.2	Very high	31 Å²	31	54.2 Å²	54.2	16%	0.162	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.3	171.4	-79.4	166.7	0	0	0	109.5	P129 E130 M186 L187 E188	P129-L140 CarbonylContact C-O 3.59Å; P129-L140 WeakPolarHBondContact CA-O 3.32Å; E130-L140 HydrophobicContact CB-CB 4.09Å; E130-L140 PolarHBondContact N-O 3.11Å; E130-L140 WeakPolarHBondContact OE2-CD1 3.45Å; L140-M186 HydrophobicContact CD2-CB 4.37Å; L140-L187 WeakPolarHBondContact CA-O 3.26Å; L140-E188 HydrophobicContact CD2-CB 4.33Å; L140-E188 HydrophobicContact CD2-CG 3.59Å
141	L	97.6	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.8	173.7	-166.5	65	0	0	0	109.8	V127 P129 W157 M186 L187 M189 Y197 W214	V127-L141 HydrophobicContact CG1-CD1 3.83Å; V127-L141 HydrophobicContact CG1-CD2 3.95Å; V127-L141 HydrophobicContact CG1-CG 3.81Å; P129-L141 HydrophobicContact CB-CD1 4.2Å; L141-W157 HydrophobicContact CB-CH2 4.27Å; L141-W157 HydrophobicContact CB-CZ2 4.46Å; L141-W157 HydrophobicContact CD2-CH2 3.45Å; L141-W157 VanDerWaalsContact CD2-CH2 3.45Å; L141-W157 HydrophobicContact CD2-CZ2 4.36Å; L141-W157 HydrophobicContact CD2-CZ3 3.55Å; L141-W157 HydrophobicContact CG-CH2 3.62Å; L141-W157 HydrophobicContact CG-CZ2 4.23Å; L141-W157 HydrophobicContact CG-CZ3 4.26Å; L141-M186 CarbonylContact O-C 3.52Å; L141-M186 VanDerWaalsContact O-CA 3.26Å; L141-M186 WeakPolarHBondContact O-CA 3.33Å; L141-L187 PolarHBondContact N-O 3.45Å; L141-L187 PolarHBondContact O-N 2.85Å; L141-M189 HydrophobicContact CB-CE 3.74Å; L141-M189 HydrophobicContact CB-CG 4.36Å; L141-M189 HydrophobicContact CB-SD 3.8Å; L141-M189 HydrophobicContact CD1-CE 3.86Å; L141-M189 HydrophobicContact CD1-SD 4.5Å; L141-M189 HydrophobicContact CD2-SD 4.15Å; L141-M189 HydrophobicContact CG-CE 4.25Å; L141-M189 HydrophobicContact CG-SD 4.37Å; L141-Y197 VanDerWaalsContact CD2-CB 3.45Å; L141-Y197 HydrophobicContact CD2-CD1 4.19Å; L141-Y197 HydrophobicContact CD2-CD2 4.43Å; L141-Y197 HydrophobicContact CD2-CG 3.78Å; L141-W214 HydrophobicContact CD1-CB 4.41Å; L141-W214 HydrophobicContact CD1-CD2 3.59Å; L141-W214 HydrophobicContact CD1-CE3 3.89Å; L141-W214 HydrophobicContact CD1-CG 3.8Å; L141-W214 HydrophobicContact CD1-CZ2 4.48Å; L141-W214 HydrophobicContact CD1-CZ3 4.46Å; L141-W214 HydrophobicContact CD2-CB 4.22Å; L141-W214 HydrophobicContact CD2-CD2 4.21Å; L141-W214 HydrophobicContact CD2-CE3 3.92Å; L141-W214 HydrophobicContact CD2-CG 4.34Å
142	H	98.3	Very high	95.6	Very high	32 Å²	32	49.2 Å²	49.2	15%	0.148	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.5	-177.1	-66	-162	0	0	0	109.5	V127 Y128 V184	V127-H142 VanDerWaalsContact CA-O 3.25Å; V127-H142 WeakPolarHBondContact CA-O 3.1Å; Y128-H142 HydrophobicContact CD2-CB 4.16Å; Y128-H142 HydrophobicContact CE1-CB 4.21Å; Y128-H142 HydrophobicContact CE2-CB 3.79Å; Y128-H142 AromaticContact CE2-CG 3.99Å; Y128-H142 AromaticContact CE2-ND1 3.69Å; Y128-H142 PolarHBondContact N-O 3.49Å; Y128-H142 WeakPolarHBondContact O-CB 3.47Å; Y128-H142 PolarHBondContact O-N 3.45Å; H142-V184 HydrophobicContact CB-CG1 4.06Å
143	C	98.5	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	98.9	161.4	-176.5	0	0	0	0	108.2	T126 V127 W157 V184 V185 C199	T126-C143 CarbonylContact O-C 3.54Å; T126-C143 WeakPolarHBondContact O-CA 3.41Å; V127-C143 HydrophobicContact CG2-CB 4.26Å; C143-W157 HydrophobicContact CB-CH2 3.95Å; C143-W157 HydrophobicContact CB-CZ2 3.45Å; C143-W157 VanDerWaalsContact CB-CZ2 3.45Å; C143-V184 WeakPolarHBondContact O-CA 3.36Å; C143-V185 PolarHBondContact N-O 3.08Å; C143-V185 PolarHBondContact O-N 3.49Å; C143-C199 HydrophobicContact CB-CB 3.61Å; C143-C199 WeakPolarHBondContact CB-SG 3Å; C143-C199 WeakPolarHBondContact SG-CB 3.45Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 3.32Å
144	S	98.5	Very high	96.6	Very high	15 Å²	15	50.6 Å²	50.6	11%	0.105	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.8	176.7	-177.9	0	0	0	0	109.4	T126	T126-S144 PolarHBondContact N-O 3.27Å; T126-S144 PolarHBondContact O-N 3.4Å; T126-S144 PolarHBondContact OG1-O 2.81Å
145	V	98.7	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.9	-177.7	-172.5	0	0	0	0	108.3	P123 E124 V125 F148 I153 I155 Q182 T183 V201	P123-V145 HydrophobicContact CB-CG1 3.48Å; P123-V145 VanDerWaalsContact CB-CG1 3.48Å; P123-V145 HydrophobicContact CG-CG1 4.42Å; E124-V145 WeakPolarHBondContact O-CA 3.33Å; V125-V145 HydrophobicContact CG1-CG2 4.37Å; V125-V145 HydrophobicContact CG2-CG1 4.35Å; V125-V145 HydrophobicContact CG2-CG2 4.48Å; V145-F148 HydrophobicContact CB-CE1 4.41Å; V145-F148 HydrophobicContact CG1-CD1 3.89Å; V145-F148 HydrophobicContact CG1-CE1 3.92Å; V145-F148 WeakPolarHBondContact O-CE1 3.48Å; V145-I153 HydrophobicContact CG1-CD1 3.7Å; V145-I155 HydrophobicContact CB-CD1 4.07Å; V145-I155 HydrophobicContact CG1-CD1 4.47Å; V145-I155 HydrophobicContact CG2-CD1 3.68Å; V145-I155 HydrophobicContact CG2-CG1 4.33Å; V145-Q182 CarbonylContact O-C 3.58Å; V145-Q182 VanDerWaalsContact O-CA 3.3Å; V145-Q182 WeakPolarHBondContact O-CA 3.3Å; V145-T183 HydrophobicContact CB-CG2 4.16Å; V145-T183 PolarHBondContact N-O 2.89Å; V145-T183 PolarHBondContact O-N 2.82Å; V145-V201 HydrophobicContact CG1-CG1 4.29Å; V145-V201 HydrophobicContact CG2-CG2 3.98Å
146	T	98.5	Very high	97.4	Very high	37 Å²	37	48.3 Å²	48.3	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	161.1	-167.9	60	0	0	0	0	112.5	P123 E124 F148 Q182	P123-T146 WeakPolarHBondContact CA-O 3.42Å; E124-T146 PolarHBondContact N-O 3.18Å; E124-T146 PolarHBondContact O-N 2.78Å; T146-F148 VanDerWaalsContact C-N 3.3Å; T146-F148 PolarHBondContact O-N 3.25Å; T146-Q182 HydrophobicContact CG2-CB 4.09Å
147	G	98.1	Very high	97.7	Very high	27 Å²	27	41.9 Å²	41.9	28%	0.278	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.2	14.1	168	0	0	0	0	0	115.7	V121 F181	V121-G147 WeakPolarHBondContact CG1-O 3.36Å; G147-F181 PolarHBondContact N-O 3.37Å
148	F	98.6	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	158.7	-173.7	64.9	-86.4	0	0	0	113.6	P123 V145 T146 P150 I153 L173 T180 F181 T183 H203	P123-F148 HydrophobicContact CB-CB 3.79Å; P123-F148 HydrophobicContact CB-CD1 4.18Å; P123-F148 HydrophobicContact CB-CG 4.25Å; P123-F148 HydrophobicContact CG-CB 4.46Å; V145-F148 HydrophobicContact CB-CE1 4.41Å; V145-F148 HydrophobicContact CG1-CD1 3.89Å; V145-F148 HydrophobicContact CG1-CE1 3.92Å; V145-F148 WeakPolarHBondContact O-CE1 3.48Å; T146-F148 VanDerWaalsContact C-N 3.3Å; T146-F148 PolarHBondContact O-N 3.25Å; F148-P150 WeakPolarHBondContact CD2-O 2.97Å; F148-I153 HydrophobicContact CD1-CD1 4.09Å; F148-I153 HydrophobicContact CD2-CB 4.44Å; F148-I153 HydrophobicContact CD2-CD1 3.81Å; F148-I153 HydrophobicContact CE1-CD1 3.97Å; F148-I153 HydrophobicContact CE2-CB 3.84Å; F148-I153 HydrophobicContact CE2-CD1 3.7Å; F148-I153 HydrophobicContact CE2-CG1 4.38Å; F148-I153 HydrophobicContact CE2-CG2 3.76Å; F148-I153 HydrophobicContact CG-CD1 4.02Å; F148-I153 HydrophobicContact CZ-CB 4.31Å; F148-I153 HydrophobicContact CZ-CD1 3.79Å; F148-I153 HydrophobicContact CZ-CG2 3.81Å; F148-L173 HydrophobicContact CE2-CD1 3.93Å; F148-L173 HydrophobicContact CZ-CD1 3.69Å; F148-T180 CarbonylContact O-C 3.45Å; F148-T180 WeakPolarHBondContact O-CA 3.45Å; F148-F181 WeakPolarHBondContact CD1-O 3.45Å; F148-F181 HydrophobicContact CD2-CB 4.22Å; F148-F181 HydrophobicContact CE1-CB 4.21Å; F148-F181 WeakPolarHBondContact CE1-O 3.23Å; F148-F181 HydrophobicContact CE2-CB 3.77Å; F148-F181 HydrophobicContact CZ-CB 3.76Å; F148-F181 PolarHBondContact N-O 2.95Å; F148-F181 PolarHBondContact O-N 3.23Å; F148-T183 HydrophobicContact CE1-CG2 4.14Å; F148-T183 HydrophobicContact CZ-CG2 4.06Å; F148-H203 AromaticContact CD2-NE2 3.89Å
149	Y	98.5	Very high	98.1	Very high	39 Å²	39	34.5 Å²	34.5	15%	0.153	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-156.3	138.7	172.6	-173.2	-82	0	0	0	109.4	R119 K120 V121 W179 F181 H203	R119-Y149 HydrophobicContact CB-CD1 3.96Å; R119-Y149 HydrophobicContact CB-CE1 3.89Å; R119-Y149 HydrophobicContact CG-CD1 3.7Å; R119-Y149 HydrophobicContact CG-CE1 4.05Å; R119-Y149 HydrophobicContact CG-CG 4.44Å; R119-Y149 WeakPolarHBondContact O-CD1 3.36Å; K120-Y149 CarbonylContact C-O 3.58Å; K120-Y149 WeakPolarHBondContact CA-O 3.46Å; V121-Y149 PolarHBondContact N-O 2.95Å; V121-Y149 PolarHBondContact O-N 3.47Å; Y149-W179 WeakPolarHBondContact CB-O 3.49Å; Y149-W179 WeakPolarHBondContact CD2-O 3.26Å; Y149-W179 AromaticContact CE2-CE3 3.86Å; Y149-W179 HydrophobicContact CE2-CE3 3.86Å; Y149-W179 AromaticContact CZ-CE3 3.89Å; Y149-F181 HydrophobicContact CD2-CD2 4.02Å; Y149-F181 AromaticContact CD2-CE2 3.58Å; Y149-F181 HydrophobicContact CD2-CE2 3.58Å; Y149-F181 AromaticContact CE2-CE2 3.81Å; Y149-F181 HydrophobicContact CE2-CE2 3.81Å; Y149-H203 PolarHBondContact O-CE1 3.46Å
150	P	98.3	Very high	98.1	Very high	37 Å²	37	38.1 Å²	38.1	24%	0.24	20%	0.201	C	C	.	.	S	Bend	cis	-73.7	179.9	3.3	33.1	-38.7	0	0	0	113.6	F148 D152 H203 S204	F148-P150 WeakPolarHBondContact CD2-O 2.97Å; P150-D152 VanDerWaalsContact C-N 3.3Å; P150-D152 PolarHBondContact O-N 2.76Å; P150-H203 PolarHBondContact O-NE2 2.03Å; P150-S204 WeakPolarHBondContact CD-OG 3.4Å
151	G	97.8	Very high	98	Very high	15 Å²	15	39.2 Å²	39.2	16%	0.155	22%	0.219	C	C	.	.	S	Bend	trans	-73	-17.3	-178.2	0	0	0	0	0	115.2	I153 L173	G151-I153 PolarHBondContact O-N 3.41Å; G151-L173 WeakPolarHBondContact O-CD1 3.43Å
152	D	97.8	Very high	98	Very high	133 Å²	133	46.3 Å²	46.3	71%	0.711	25%	0.252	S	S	*	.			trans	-71.2	110.1	178.3	-176	55.2	0	0	0	110.7	P150 H203	P150-D152 VanDerWaalsContact C-N 3.3Å; P150-D152 PolarHBondContact O-N 2.76Å; D152-H203 PolarHBondContact O-CD2 3.42Å
153	I	98.4	Very high	98	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.185	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.7	-174.3	-165.1	163.5	0	0	0	110.5	V145 F148 G151 I155 T183 V201 H202 H203	V145-I153 HydrophobicContact CG1-CD1 3.7Å; F148-I153 HydrophobicContact CD1-CD1 4.09Å; F148-I153 HydrophobicContact CD2-CB 4.44Å; F148-I153 HydrophobicContact CD2-CD1 3.81Å; F148-I153 HydrophobicContact CE1-CD1 3.97Å; F148-I153 HydrophobicContact CE2-CB 3.84Å; F148-I153 HydrophobicContact CE2-CD1 3.7Å; F148-I153 HydrophobicContact CE2-CG1 4.38Å; F148-I153 HydrophobicContact CE2-CG2 3.76Å; F148-I153 HydrophobicContact CG-CD1 4.02Å; F148-I153 HydrophobicContact CZ-CB 4.31Å; F148-I153 HydrophobicContact CZ-CD1 3.79Å; F148-I153 HydrophobicContact CZ-CG2 3.81Å; G151-I153 PolarHBondContact O-N 3.41Å; I153-I155 HydrophobicContact CD1-CD1 4.43Å; I153-I155 HydrophobicContact CD1-CG1 4.44Å; I153-I155 HydrophobicContact CG1-CG1 4.19Å; I153-I155 HydrophobicContact CG2-CD1 4.4Å; I153-T183 HydrophobicContact CG2-CG2 4.46Å; I153-V201 HydrophobicContact CD1-CG1 3.8Å; I153-V201 HydrophobicContact CG1-CG1 4.09Å; I153-H202 WeakPolarHBondContact CG1-O 3.47Å; I153-H203 HydrophobicContact CD1-CB 4.24Å; I153-H203 HydrophobicContact CG1-CB 4.1Å
154	K	98.3	Very high	97.9	Very high	134 Å²	134	50.9 Å²	50.9	58%	0.583	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.5	176.1	179.7	179.9	-64.7	178.7	0	110.2	H202	K154-H202 HydrophobicContact CB-CB 4.21Å; K154-H202 PolarHBondContact N-O 3.19Å; K154-H202 PolarHBondContact O-N 2.91Å
155	I	98.5	Very high	97.9	Very high	30 Å²	30	59.1 Å²	59.1	15%	0.154	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.4	-177.7	-56.7	166.4	0	0	0	108	V145 I153 T183 V185 L200 V201	V145-I155 HydrophobicContact CB-CD1 4.07Å; V145-I155 HydrophobicContact CG1-CD1 4.47Å; V145-I155 HydrophobicContact CG2-CD1 3.68Å; V145-I155 HydrophobicContact CG2-CG1 4.33Å; I153-I155 HydrophobicContact CD1-CD1 4.43Å; I153-I155 HydrophobicContact CD1-CG1 4.44Å; I153-I155 HydrophobicContact CG1-CG1 4.19Å; I153-I155 HydrophobicContact CG2-CD1 4.4Å; I155-T183 HydrophobicContact CD1-CG2 3.33Å; I155-V185 HydrophobicContact CB-CG2 3.93Å; I155-V185 HydrophobicContact CD1-CG2 3.83Å; I155-V185 HydrophobicContact CG2-CB 4Å; I155-V185 HydrophobicContact CG2-CG1 4.47Å; I155-V185 HydrophobicContact CG2-CG2 3.74Å; I155-L200 WeakPolarHBondContact CA-O 3.42Å; I155-V201 HydrophobicContact CG1-CG1 4.36Å; I155-V201 HydrophobicContact CG1-CG2 4.27Å; I155-V201 HydrophobicContact CG2-CG2 4.37Å
156	R	98.4	Very high	97.8	Very high	68 Å²	68	62.5 Å²	62.5	26%	0.257	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.7	-179.5	-68	-175.7	-70.4	155.1	-2.9	110.8	F158 E163 L200 H202	R156-F158 HydrophobicContact CB-CD2 4.43Å; R156-F158 HydrophobicContact CB-CE2 3.83Å; R156-E163 WeakPolarHBondContact CD-OE2 3.38Å; R156-E163 IonicContact CZ-OE2 2.99Å; R156-E163 IonicContact NH1-OE2 3.74Å; R156-E163 PolarHBondContact NH1-OE2 3.43Å; R156-L200 PolarHBondContact N-O 2.75Å; R156-L200 VanDerWaalsContact NH2-CD2 3.3Å; R156-L200 PolarHBondContact O-N 3.09Å; R156-H202 PolarHBondContact NH2-NE2 3.28Å
157	W	98.6	Very high	97.6	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.8	170.9	-82.2	111.2	0	0	0	110.9	V127 L141 C143 E163 E164 V168 V185 L187 T198 C199	V127-W157 HydrophobicContact CG1-CH2 3.75Å; V127-W157 HydrophobicContact CG1-CZ3 4.34Å; V127-W157 HydrophobicContact CG2-CH2 4.25Å; L141-W157 HydrophobicContact CB-CH2 4.27Å; L141-W157 HydrophobicContact CB-CZ2 4.46Å; L141-W157 HydrophobicContact CD2-CH2 3.45Å; L141-W157 VanDerWaalsContact CD2-CH2 3.45Å; L141-W157 HydrophobicContact CD2-CZ2 4.36Å; L141-W157 HydrophobicContact CD2-CZ3 3.55Å; L141-W157 HydrophobicContact CG-CH2 3.62Å; L141-W157 HydrophobicContact CG-CZ2 4.23Å; L141-W157 HydrophobicContact CG-CZ3 4.26Å; C143-W157 HydrophobicContact CB-CH2 3.95Å; C143-W157 HydrophobicContact CB-CZ2 3.45Å; C143-W157 VanDerWaalsContact CB-CZ2 3.45Å; W157-E163 WeakPolarHBondContact O-CA 3.47Å; W157-E164 HydrophobicContact CB-CB 4.39Å; W157-E164 PolarHBondContact O-N 2.87Å; W157-V168 HydrophobicContact CB-CG2 4.29Å; W157-V168 HydrophobicContact CG-CG2 4.45Å; W157-V185 PolarHBondContact NE1-O 3Å; W157-L187 HydrophobicContact CB-CD2 4.27Å; W157-L187 HydrophobicContact CD2-CB 4Å; W157-L187 HydrophobicContact CD2-CD2 4.05Å; W157-L187 HydrophobicContact CE3-CD2 4.15Å; W157-L187 HydrophobicContact CG-CB 4.02Å; W157-L187 HydrophobicContact CG-CD2 4.12Å; W157-L187 HydrophobicContact CZ2-CB 4.36Å; W157-T198 CarbonylContact C-O 3.6Å; W157-C199 HydrophobicContact CE3-CB 4.24Å; W157-C199 HydrophobicContact CH2-CB 3.99Å; W157-C199 HydrophobicContact CZ2-CB 4.41Å; W157-C199 HydrophobicContact CZ3-CB 3.9Å
158	F	98.4	Very high	97.6	Very high	33 Å²	33	63.3 Å²	63.3	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.6	170.5	-70.1	-106.4	0	0	0	109.7	R156 Q162 E163 Y197 T198 L200	R156-F158 HydrophobicContact CB-CD2 4.43Å; R156-F158 HydrophobicContact CB-CE2 3.83Å; F158-Q162 CarbonylContact C-O 3.5Å; F158-Q162 WeakPolarHBondContact CA-O 3.34Å; F158-Q162 WeakPolarHBondContact CB-O 3.26Å; F158-Q162 VanDerWaalsContact CD1-C 3.47Å; F158-E163 HydrophobicContact CD1-CB 4.09Å; F158-E163 HydrophobicContact CE1-CB 3.73Å; F158-E163 HydrophobicContact CE1-CG 4.39Å; F158-E163 HydrophobicContact CE2-CG 4.41Å; F158-E163 HydrophobicContact CZ-CB 4Å; F158-E163 HydrophobicContact CZ-CG 4.17Å; F158-Y197 CarbonylContact O-C 3.49Å; F158-Y197 WeakPolarHBondContact O-CA 3.36Å; F158-T198 PolarHBondContact N-O 3.37Å; F158-T198 PolarHBondContact O-N 2.98Å; F158-L200 HydrophobicContact CD2-CB 4.1Å; F158-L200 HydrophobicContact CD2-CD2 4.49Å; F158-L200 HydrophobicContact CE2-CB 3.9Å; F158-L200 HydrophobicContact CE2-CD2 3.63Å; F158-L200 HydrophobicContact CE2-CG 4.44Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å
159	L	97.6	Very high	97.5	Very high	43 Å²	43	67.6 Å²	67.6	23%	0.225	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.3	169.7	175.5	58	0	0	0	108.1	G161 Q162 D195 Y197	L159-G161 PolarHBondContact O-N 2.85Å; L159-Q162 PolarHBondContact N-O 2.81Å; L159-Q162 PolarHBondContact O-N 3.2Å; L159-D195 HydrophobicContact CD1-CB 4Å; L159-Y197 HydrophobicContact CD1-CD1 3.93Å; L159-Y197 HydrophobicContact CD1-CE1 3.66Å; L159-Y197 HydrophobicContact CD1-CE2 4.31Å; L159-Y197 HydrophobicContact CD1-CG 4.37Å
160	N	96.3	Very high	97.4	Very high	89 Å²	89	69.2 Å²	69.2	48%	0.476	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	35	178.5	-59.2	-32	0	0	0	113.1	Q162 D195 V196	N160-Q162 VanDerWaalsContact C-N 3.34Å; N160-Q162 PolarHBondContact O-N 2.98Å; N160-D195 PolarHBondContact ND2-OD1 2.91Å; N160-D195 WeakPolarHBondContact OD1-CA 3.46Å; N160-V196 PolarHBondContact N-O 3.44Å; N160-V196 PolarHBondContact OD1-N 3.17Å
161	G	94.8	Very high	97.3	Very high	54 Å²	54	70.8 Å²	70.8	56%	0.557	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-2.6	179.8	0	0	0	0	0	115.7	L159	L159-G161 PolarHBondContact O-N 2.85Å
162	Q	97.4	Very high	97.2	Very high	148 Å²	148	71.7 Å²	71.7	69%	0.692	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	139.1	173.1	-63.7	-58.6	-56.7	0	0	110.6	F158 L159 N160 E164	F158-Q162 CarbonylContact C-O 3.5Å; F158-Q162 WeakPolarHBondContact CA-O 3.34Å; F158-Q162 WeakPolarHBondContact CB-O 3.26Å; F158-Q162 VanDerWaalsContact CD1-C 3.47Å; L159-Q162 PolarHBondContact N-O 2.81Å; L159-Q162 PolarHBondContact O-N 3.2Å; N160-Q162 VanDerWaalsContact C-N 3.34Å; N160-Q162 PolarHBondContact O-N 2.98Å; Q162-E164 PolarHBondContact O-N 2.81Å
163	E	97.9	Very high	97.2	Very high	65 Å²	65	69.6 Å²	69.6	30%	0.304	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	123.5	-179.9	-172.1	175.9	139.5	0	0	110.1	R156 W157 F158 R165	R156-E163 WeakPolarHBondContact CD-OE2 3.38Å; R156-E163 IonicContact CZ-OE2 2.99Å; R156-E163 IonicContact NH1-OE2 3.74Å; R156-E163 PolarHBondContact NH1-OE2 3.43Å; W157-E163 WeakPolarHBondContact O-CA 3.47Å; F158-E163 HydrophobicContact CD1-CB 4.09Å; F158-E163 HydrophobicContact CE1-CB 3.73Å; F158-E163 HydrophobicContact CE1-CG 4.39Å; F158-E163 HydrophobicContact CE2-CG 4.41Å; F158-E163 HydrophobicContact CZ-CB 4Å; F158-E163 HydrophobicContact CZ-CG 4.17Å; E163-R165 IonicContact OE1-CZ 3.57Å; E163-R165 IonicContact OE1-NE 2.8Å; E163-R165 PolarHBondContact OE1-NE 2.98Å; E163-R165 IonicContact OE1-NH2 3.82Å; E163-R165 PolarHBondContact OE1-NH2 3.45Å
164	E	97.3	Very high	97.2	Very high	63 Å²	63	71.5 Å²	71.5	29%	0.294	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.4	179.8	-172.3	54.8	-96.2	0	0	110.1	W157 Q162 A166 L187	W157-E164 HydrophobicContact CB-CB 4.39Å; W157-E164 PolarHBondContact O-N 2.87Å; Q162-E164 PolarHBondContact O-N 2.81Å; E164-A166 WeakPolarHBondContact OE1-CB 3.32Å; E164-A166 PolarHBondContact OE1-N 3.47Å; E164-L187 HydrophobicContact CG-CD1 3.72Å
165	R	96.9	Very high	97.2	Very high	189 Å²	189	67.6 Å²	67.6	71%	0.713	39%	0.388	S	S	*	.			trans	-129.2	-23.8	-178.2	-65.4	-176	174.1	-139.7	1.9	112.3	E163	E163-R165 IonicContact OE1-CZ 3.57Å; E163-R165 IonicContact OE1-NE 2.8Å; E163-R165 PolarHBondContact OE1-NE 2.98Å; E163-R165 IonicContact OE1-NH2 3.82Å; E163-R165 PolarHBondContact OE1-NH2 3.45Å
166	A	96.7	Very high	97.1	Very high	70 Å²	70	69.1 Å²	69.1	58%	0.579	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	138.4	175.6	0	0	0	0	0	109.3	E164 V168 L187	E164-A166 WeakPolarHBondContact OE1-CB 3.32Å; E164-A166 PolarHBondContact OE1-N 3.47Å; A166-V168 PolarHBondContact O-N 2.56Å; A166-L187 WeakPolarHBondContact O-CD1 3.41Å
167	G	94.6	Very high	97	Very high	29 Å²	29	69.7 Å²	69.7	30%	0.299	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	12.5	179.8	0	0	0	0	0	114.9	E188	G167-E188 PolarHBondContact O-N 2.97Å
168	V	97.9	Very high	96.9	Very high	53 Å²	53	74 Å²	74	32%	0.321	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128	176.4	178.1	0	0	0	0	110.6	W157 A166 V185 M186 L187	W157-V168 HydrophobicContact CB-CG2 4.29Å; W157-V168 HydrophobicContact CG-CG2 4.45Å; A166-V168 PolarHBondContact O-N 2.56Å; V168-V185 HydrophobicContact CG1-CG1 3.61Å; V168-M186 CarbonylContact C-O 3.55Å; V168-M186 VanDerWaalsContact CA-O 3.32Å; V168-M186 WeakPolarHBondContact CA-O 3.37Å; V168-L187 HydrophobicContact CG2-CD1 3.72Å
169	M	97.6	Very high	96.9	Very high	89 Å²	89	79.3 Å²	79.3	44%	0.438	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.6	178.3	-66.7	168.6	40	0	0	110.5	V185 M186	M169-V185 CarbonylContact O-C 3.6Å; M169-V185 VanDerWaalsContact O-CA 3.32Å; M169-V185 WeakPolarHBondContact O-CA 3.41Å; M169-M186 HydrophobicContact CB-CB 4.36Å; M169-M186 HydrophobicContact CB-CE 3.94Å; M169-M186 HydrophobicContact CE-CE 4.1Å; M169-M186 PolarHBondContact N-O 2.73Å; M169-M186 PolarHBondContact O-N 3.06Å
170	S	96.8	Very high	96.9	Very high	73 Å²	73	78.2 Å²	78.2	51%	0.51	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.3	176.4	178.6	0	0	0	0	110.6	G172 V184	S170-G172 PolarHBondContact O-N 3.25Å; S170-G172 PolarHBondContact OG-N 2.96Å; S170-G172 VanDerWaalsContact OG-N 3.09Å; S170-V184 WeakPolarHBondContact CA-O 3.27Å
171	T	95.6	Very high	97	Very high	70 Å²	70	76.2 Å²	76.2	43%	0.429	45%	0.448	S	S	.	.			trans	-68.3	-13.8	169.9	57.4	0	0	0	0	112.8	V184 M186	T171-V184 HydrophobicContact CG2-CB 3.89Å; T171-V184 HydrophobicContact CG2-CG2 4.5Å; T171-V184 PolarHBondContact N-O 3.48Å; T171-V184 PolarHBondContact OG1-N 2.95Å; T171-V184 PolarHBondContact OG1-O 3.06Å; T171-M186 HydrophobicContact CG2-CE 4.18Å
172	G	96.3	Very high	97.2	Very high	34 Å²	34	76.9 Å²	76.9	35%	0.351	44%	0.437	S	S	.	.			trans	74.8	176.9	-163.6	0	0	0	0	0	111.9	S170 T183	S170-G172 PolarHBondContact O-N 3.25Å; S170-G172 PolarHBondContact OG-N 2.96Å; S170-G172 VanDerWaalsContact OG-N 3.09Å; G172-T183 PolarHBondContact O-OG1 3.19Å
173	L	97.3	Very high	97.2	Very high	90 Å²	90	70.1 Å²	70.1	47%	0.471	41%	0.405	S	S	.	.			trans	-79.3	125.1	-178	-171.7	73.1	0	0	0	110.7	F148 G151 F181	F148-L173 HydrophobicContact CE2-CD1 3.93Å; F148-L173 HydrophobicContact CZ-CD1 3.69Å; G151-L173 WeakPolarHBondContact O-CD1 3.43Å; L173-F181 HydrophobicContact CD1-CB 3.66Å; L173-F181 HydrophobicContact CD1-CD1 3.89Å; L173-F181 HydrophobicContact CD1-CG 3.93Å; L173-F181 HydrophobicContact CD2-CD1 3.68Å; L173-F181 HydrophobicContact CD2-CE1 3.83Å; L173-F181 HydrophobicContact CD2-CG 4.3Å; L173-F181 HydrophobicContact CG-CB 4.33Å; L173-F181 HydrophobicContact CG-CD1 3.62Å; L173-F181 HydrophobicContact CG-CE1 4.23Å; L173-F181 HydrophobicContact CG-CG 4.18Å
174	I	98.1	Very high	97.3	Very high	76 Å²	76	68.2 Å²	68.2	39%	0.39	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.5	178.2	-58	169.5	0	0	0	108.6	F181 Q182	I174-F181 CarbonylContact O-C 3.58Å; I174-F181 VanDerWaalsContact O-CA 3.26Å; I174-F181 WeakPolarHBondContact O-CA 3.49Å; I174-Q182 HydrophobicContact CB-CG 3.82Å; I174-Q182 HydrophobicContact CG2-CG 4.15Å; I174-Q182 PolarHBondContact N-O 3.48Å; I174-Q182 PolarHBondContact O-N 3.16Å
175	G	97.6	Very high	97.3	Very high	52 Å²	52	65.7 Å²	65.7	54%	0.536	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.5	174.1	0	0	0	0	0	111.6
176	N	97.3	Very high	97.4	Very high	61 Å²	61	58.1 Å²	58.1	33%	0.326	36%	0.36	S	S	.	.			trans	-83.4	-10.5	-174.6	-65.8	-26.7	0	0	0	114.2	D178 T180 Q182	N176-D178 VanDerWaalsContact C-N 3.29Å; N176-D178 VanDerWaalsContact CB-OD1 3.27Å; N176-D178 WeakPolarHBondContact CB-OD1 3.32Å; N176-T180 PolarHBondContact N-O 2.89Å; N176-T180 PolarHBondContact ND2-OG1 3.47Å; N176-Q182 PolarHBondContact OD1-NE2 2.93Å
177	G	96.4	Very high	97.5	Very high	80 Å²	80	55 Å²	55	83%	0.825	33%	0.334	S	S	*	.	S	Bend	trans	83.2	-1.7	-175.5	0	0	0	0	0	114.8
178	D	97.1	Very high	97.6	Very high	94 Å²	94	58.4 Å²	58.4	50%	0.503	34%	0.342	S	S	.	.	S	Bend	trans	-115.5	21.9	-177.9	69.1	-7.1	0	0	0	113.3	N176 T180	N176-D178 VanDerWaalsContact C-N 3.29Å; N176-D178 VanDerWaalsContact CB-OD1 3.27Å; N176-D178 WeakPolarHBondContact CB-OD1 3.32Å; D178-T180 VanDerWaalsContact C-N 3.29Å; D178-T180 PolarHBondContact O-N 2.86Å; D178-T180 WeakPolarHBondContact OD1-CB 3.26Å; D178-T180 PolarHBondContact OD1-N 2.89Å; D178-T180 PolarHBondContact OD1-OG1 2.86Å; D178-T180 PolarHBondContact OD2-OG1 3.29Å
179	W	97	Very high	97.5	Very high	143 Å²	143	56.2 Å²	56.2	54%	0.542	33%	0.328	S	S	.	.	S	Bend	trans	64.1	29.5	-172.3	-61.9	72.7	0	0	0	114.5	T116 Y149	T116-W179 HydrophobicContact CG2-CH2 3.99Å; T116-W179 HydrophobicContact CG2-CZ3 4.11Å; Y149-W179 WeakPolarHBondContact CB-O 3.49Å; Y149-W179 WeakPolarHBondContact CD2-O 3.26Å; Y149-W179 AromaticContact CE2-CE3 3.86Å; Y149-W179 HydrophobicContact CE2-CE3 3.86Å; Y149-W179 AromaticContact CZ-CE3 3.89Å
180	T	98.3	Very high	97.4	Very high	20 Å²	20	55.2 Å²	55.2	12%	0.123	33%	0.327	C	S	.	.			trans	-127.6	161.5	165.4	72	0	0	0	0	111.5	F148 N176 D178	F148-T180 CarbonylContact O-C 3.45Å; F148-T180 WeakPolarHBondContact O-CA 3.45Å; N176-T180 PolarHBondContact N-O 2.89Å; N176-T180 PolarHBondContact ND2-OG1 3.47Å; D178-T180 VanDerWaalsContact C-N 3.29Å; D178-T180 PolarHBondContact O-N 2.86Å; D178-T180 WeakPolarHBondContact OD1-CB 3.26Å; D178-T180 PolarHBondContact OD1-N 2.89Å; D178-T180 PolarHBondContact OD1-OG1 2.86Å; D178-T180 PolarHBondContact OD2-OG1 3.29Å
181	F	98.6	Very high	97.3	Very high	48 Å²	48	51.8 Å²	51.8	21%	0.211	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	161	176.4	-63.5	-85.1	0	0	0	111	G147 F148 Y149 L173 I174	G147-F181 PolarHBondContact N-O 3.37Å; F148-F181 WeakPolarHBondContact CD1-O 3.45Å; F148-F181 HydrophobicContact CD2-CB 4.22Å; F148-F181 HydrophobicContact CE1-CB 4.21Å; F148-F181 WeakPolarHBondContact CE1-O 3.23Å; F148-F181 HydrophobicContact CE2-CB 3.77Å; F148-F181 HydrophobicContact CZ-CB 3.76Å; F148-F181 PolarHBondContact N-O 2.95Å; F148-F181 PolarHBondContact O-N 3.23Å; Y149-F181 HydrophobicContact CD2-CD2 4.02Å; Y149-F181 AromaticContact CD2-CE2 3.58Å; Y149-F181 HydrophobicContact CD2-CE2 3.58Å; Y149-F181 AromaticContact CE2-CE2 3.81Å; Y149-F181 HydrophobicContact CE2-CE2 3.81Å; L173-F181 HydrophobicContact CD1-CB 3.66Å; L173-F181 HydrophobicContact CD1-CD1 3.89Å; L173-F181 HydrophobicContact CD1-CG 3.93Å; L173-F181 HydrophobicContact CD2-CD1 3.68Å; L173-F181 HydrophobicContact CD2-CE1 3.83Å; L173-F181 HydrophobicContact CD2-CG 4.3Å; L173-F181 HydrophobicContact CG-CB 4.33Å; L173-F181 HydrophobicContact CG-CD1 3.62Å; L173-F181 HydrophobicContact CG-CE1 4.23Å; L173-F181 HydrophobicContact CG-CG 4.18Å; I174-F181 CarbonylContact O-C 3.58Å; I174-F181 VanDerWaalsContact O-CA 3.26Å; I174-F181 WeakPolarHBondContact O-CA 3.49Å
182	Q	98.4	Very high	97.1	Very high	67 Å²	67	53.8 Å²	53.8	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156	168.8	64.8	179.9	-52.9	0	0	111	V145 T146 I174 N176	V145-Q182 CarbonylContact O-C 3.58Å; V145-Q182 VanDerWaalsContact O-CA 3.3Å; V145-Q182 WeakPolarHBondContact O-CA 3.3Å; T146-Q182 HydrophobicContact CG2-CB 4.09Å; I174-Q182 HydrophobicContact CB-CG 3.82Å; I174-Q182 HydrophobicContact CG2-CG 4.15Å; I174-Q182 PolarHBondContact N-O 3.48Å; I174-Q182 PolarHBondContact O-N 3.16Å; N176-Q182 PolarHBondContact OD1-NE2 2.93Å
183	T	98.6	Very high	96.9	Very high	6 Å²	6	59 Å²	59	4%	0.037	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.8	173	-177.5	0	0	0	0	109.2	V145 F148 I153 I155 G172	V145-T183 HydrophobicContact CB-CG2 4.16Å; V145-T183 PolarHBondContact N-O 2.89Å; V145-T183 PolarHBondContact O-N 2.82Å; F148-T183 HydrophobicContact CE1-CG2 4.14Å; F148-T183 HydrophobicContact CZ-CG2 4.06Å; I153-T183 HydrophobicContact CG2-CG2 4.46Å; I155-T183 HydrophobicContact CD1-CG2 3.33Å; G172-T183 PolarHBondContact O-OG1 3.19Å
184	V	98.6	Very high	96.5	Very high	26 Å²	26	57.2 Å²	57.2	16%	0.158	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.6	172.6	-173.7	0	0	0	0	108.5	H142 C143 S170 T171 M186	H142-V184 HydrophobicContact CB-CG1 4.06Å; C143-V184 WeakPolarHBondContact O-CA 3.36Å; S170-V184 WeakPolarHBondContact CA-O 3.27Å; T171-V184 HydrophobicContact CG2-CB 3.89Å; T171-V184 HydrophobicContact CG2-CG2 4.5Å; T171-V184 PolarHBondContact N-O 3.48Å; T171-V184 PolarHBondContact OG1-N 2.95Å; T171-V184 PolarHBondContact OG1-O 3.06Å; V184-M186 HydrophobicContact CG1-CG 4.14Å
185	V	98.5	Very high	96.3	Very high	10 Å²	10	54.5 Å²	54.5	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.5	173.8	-174.8	0	0	0	0	108.5	C143 I155 W157 V168 M169	C143-V185 PolarHBondContact N-O 3.08Å; C143-V185 PolarHBondContact O-N 3.49Å; I155-V185 HydrophobicContact CB-CG2 3.93Å; I155-V185 HydrophobicContact CD1-CG2 3.83Å; I155-V185 HydrophobicContact CG2-CB 4Å; I155-V185 HydrophobicContact CG2-CG1 4.47Å; I155-V185 HydrophobicContact CG2-CG2 3.74Å; W157-V185 PolarHBondContact NE1-O 3Å; V168-V185 HydrophobicContact CG1-CG1 3.61Å; M169-V185 CarbonylContact O-C 3.6Å; M169-V185 VanDerWaalsContact O-CA 3.32Å; M169-V185 WeakPolarHBondContact O-CA 3.41Å
186	M	98.4	Very high	96.3	Very high	30 Å²	30	53 Å²	53	15%	0.148	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146.1	-175.8	-60.1	158.3	-76.7	0	0	109.8	L140 L141 V168 M169 T171 V184	L140-M186 HydrophobicContact CD2-CB 4.37Å; L141-M186 CarbonylContact O-C 3.52Å; L141-M186 VanDerWaalsContact O-CA 3.26Å; L141-M186 WeakPolarHBondContact O-CA 3.33Å; V168-M186 CarbonylContact C-O 3.55Å; V168-M186 VanDerWaalsContact CA-O 3.32Å; V168-M186 WeakPolarHBondContact CA-O 3.37Å; M169-M186 HydrophobicContact CB-CB 4.36Å; M169-M186 HydrophobicContact CB-CE 3.94Å; M169-M186 HydrophobicContact CE-CE 4.1Å; M169-M186 PolarHBondContact N-O 2.73Å; M169-M186 PolarHBondContact O-N 3.06Å; T171-M186 HydrophobicContact CG2-CE 4.18Å; V184-M186 HydrophobicContact CG1-CG 4.14Å
187	L	98.4	Very high	96.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.6	173	173	66.8	0	0	0	109.3	L140 L141 W157 E164 A166 V168 M189 Y197	L140-L187 WeakPolarHBondContact CA-O 3.26Å; L141-L187 PolarHBondContact N-O 3.45Å; L141-L187 PolarHBondContact O-N 2.85Å; W157-L187 HydrophobicContact CB-CD2 4.27Å; W157-L187 HydrophobicContact CD2-CB 4Å; W157-L187 HydrophobicContact CD2-CD2 4.05Å; W157-L187 HydrophobicContact CE3-CD2 4.15Å; W157-L187 HydrophobicContact CG-CB 4.02Å; W157-L187 HydrophobicContact CG-CD2 4.12Å; W157-L187 HydrophobicContact CZ2-CB 4.36Å; E164-L187 HydrophobicContact CG-CD1 3.72Å; A166-L187 WeakPolarHBondContact O-CD1 3.41Å; V168-L187 HydrophobicContact CG2-CD1 3.72Å; L187-M189 PolarHBondContact O-N 3.14Å; L187-Y197 HydrophobicContact CD2-CD1 3.71Å; L187-Y197 HydrophobicContact CD2-CE1 4.08Å
188	E	97.9	Very high	96.4	Very high	101 Å²	101	47.7 Å²	47.7	47%	0.472	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.6	166.2	-70.8	179.9	-172.3	0	0	109.8	L140 G167	L140-E188 HydrophobicContact CD2-CB 4.33Å; L140-E188 HydrophobicContact CD2-CG 3.59Å; G167-E188 PolarHBondContact O-N 2.97Å
189	M	95.1	Very high	96.5	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.034	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.4	-177.6	63.6	165.6	-175.6	0	0	112.6	P129 H138 N139 L141 L187 Y197 W214	P129-M189 HydrophobicContact CB-CE 4.23Å; H138-M189 WeakPolarHBondContact CA-O 3.26Å; N139-M189 HydrophobicContact CB-CE 4.09Å; N139-M189 PolarHBondContact N-O 2.99Å; N139-M189 PolarHBondContact O-N 3.06Å; N139-M189 VanDerWaalsContact O-O 3.07Å; L141-M189 HydrophobicContact CB-CE 3.74Å; L141-M189 HydrophobicContact CB-CG 4.36Å; L141-M189 HydrophobicContact CB-SD 3.8Å; L141-M189 HydrophobicContact CD1-CE 3.86Å; L141-M189 HydrophobicContact CD1-SD 4.5Å; L141-M189 HydrophobicContact CD2-SD 4.15Å; L141-M189 HydrophobicContact CG-CE 4.25Å; L141-M189 HydrophobicContact CG-SD 4.37Å; L187-M189 PolarHBondContact O-N 3.14Å; M189-Y197 HydrophobicContact CB-CE1 3.8Å; M189-Y197 HydrophobicContact SD-CD1 4.33Å; M189-Y197 HydrophobicContact SD-CD2 4.3Å; M189-Y197 HydrophobicContact SD-CE1 3.95Å; M189-Y197 HydrophobicContact SD-CE2 3.89Å; M189-Y197 HydrophobicContact SD-CG 4.48Å; M189-W214 HydrophobicContact CE-CE3 4.43Å; M189-W214 HydrophobicContact CE-CH2 3.75Å; M189-W214 HydrophobicContact CE-CZ2 4.42Å; M189-W214 HydrophobicContact CE-CZ3 3.75Å; M189-W214 HydrophobicContact SD-CE3 4.44Å; M189-W214 HydrophobicContact SD-CH2 4.42Å; M189-W214 HydrophobicContact SD-CZ3 3.86Å
190	T	95.9	Very high	96.6	Very high	69 Å²	69	37.7 Å²	37.7	42%	0.423	21%	0.207	S	C	.	.			trans	-130.3	94.4	167.1	-59.2	0	0	0	0	105.9	H136 E192	H136-T190 VanDerWaalsContact C-CG2 3.49Å; T190-E192 PolarHBondContact O-N 3.48Å
191	P	93.6	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-69.9	133	-165	27.9	-33.3	0	0	0	111.7	A133 L134 L135 H136 Q137 Y197 V216	A133-P191 HydrophobicContact CB-CG 4.5Å; L134-P191 WeakPolarHBondContact O-CG 3.45Å; L135-P191 WeakPolarHBondContact CA-O 3.49Å; H136-P191 PolarHBondContact N-O 2.97Å; Q137-P191 VanDerWaalsContact O-CD 3.26Å; Q137-P191 WeakPolarHBondContact O-CD 3.47Å; P191-Y197 WeakPolarHBondContact CA-OH 3.27Å; P191-Y197 HydrophobicContact CB-CE2 4.31Å; P191-V216 HydrophobicContact CB-CB 4.31Å
192	E	92.3	Very high	96.6	Very high	113 Å²	113	37.6 Å²	37.6	53%	0.528	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-102.2	164.6	170.4	-58.4	-169.5	176.1	0	0	111.3	T190 G194 D195	T190-E192 PolarHBondContact O-N 3.48Å; E192-G194 PolarHBondContact O-N 2.92Å; E192-D195 WeakPolarHBondContact CA-OD2 3.46Å; E192-D195 WeakPolarHBondContact CB-OD2 3.45Å; E192-D195 PolarHBondContact N-OD2 2.94Å; E192-D195 PolarHBondContact O-N 3.37Å
193	L	90.9	Very high	96.6	Very high	142 Å²	142	35 Å²	35	74%	0.743	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	121.3	179.6	-173	72.4	0	0	0	109.7	L135	L135-L193 HydrophobicContact CD1-CD1 4.47Å; L135-L193 HydrophobicContact CD2-CB 4.23Å
194	G	89.8	Confident	96.5	Very high	54 Å²	54	37.2 Å²	37.2	56%	0.557	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.8	-8.9	-180	0	0	0	0	0	113.8	E192 V196	E192-G194 PolarHBondContact O-N 2.92Å; G194-V196 WeakPolarHBondContact O-CG2 3.34Å
195	D	94.9	Very high	96.5	Very high	19 Å²	19	36.7 Å²	36.7	10%	0.102	21%	0.207	C	C	.	.			trans	-60.6	138.6	175.3	-79.1	-22.3	0	0	0	112.3	L159 N160 E192 Y197	L159-D195 HydrophobicContact CD1-CB 4Å; N160-D195 PolarHBondContact ND2-OD1 2.91Å; N160-D195 WeakPolarHBondContact OD1-CA 3.46Å; E192-D195 WeakPolarHBondContact CA-OD2 3.46Å; E192-D195 WeakPolarHBondContact CB-OD2 3.45Å; E192-D195 PolarHBondContact N-OD2 2.94Å; E192-D195 PolarHBondContact O-N 3.37Å; D195-Y197 HydrophobicContact CB-CD2 4.34Å; D195-Y197 HydrophobicContact CB-CE2 3.66Å; D195-Y197 PolarHBondContact OD2-OH 3.02Å
196	V	96.4	Very high	96.5	Very high	20 Å²	20	37.5 Å²	37.5	12%	0.121	21%	0.211	C	C	.	.			trans	-125	108.5	177.1	-166.2	0	0	0	0	108.6	N160 G194 E213 R215	N160-V196 PolarHBondContact N-O 3.44Å; N160-V196 PolarHBondContact OD1-N 3.17Å; G194-V196 WeakPolarHBondContact O-CG2 3.34Å; V196-E213 HydrophobicContact CG1-CB 4.39Å; V196-E213 HydrophobicContact CG1-CG 4.17Å; V196-E213 WeakPolarHBondContact CG1-OE2 3.3Å; V196-R215 HydrophobicContact CG1-CG 4.32Å; V196-R215 HydrophobicContact CG2-CG 4.48Å
197	Y	97.7	Very high	96.4	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.1	175	-60.4	-92.1	0	0	0	108.6	L141 F158 L159 L187 M189 P191 D195 E213 W214	L141-Y197 VanDerWaalsContact CD2-CB 3.45Å; L141-Y197 HydrophobicContact CD2-CD1 4.19Å; L141-Y197 HydrophobicContact CD2-CD2 4.43Å; L141-Y197 HydrophobicContact CD2-CG 3.78Å; F158-Y197 CarbonylContact O-C 3.49Å; F158-Y197 WeakPolarHBondContact O-CA 3.36Å; L159-Y197 HydrophobicContact CD1-CD1 3.93Å; L159-Y197 HydrophobicContact CD1-CE1 3.66Å; L159-Y197 HydrophobicContact CD1-CE2 4.31Å; L159-Y197 HydrophobicContact CD1-CG 4.37Å; L187-Y197 HydrophobicContact CD2-CD1 3.71Å; L187-Y197 HydrophobicContact CD2-CE1 4.08Å; M189-Y197 HydrophobicContact CB-CE1 3.8Å; M189-Y197 HydrophobicContact SD-CD1 4.33Å; M189-Y197 HydrophobicContact SD-CD2 4.3Å; M189-Y197 HydrophobicContact SD-CE1 3.95Å; M189-Y197 HydrophobicContact SD-CE2 3.89Å; M189-Y197 HydrophobicContact SD-CG 4.48Å; P191-Y197 WeakPolarHBondContact CA-OH 3.27Å; P191-Y197 HydrophobicContact CB-CE2 4.31Å; D195-Y197 HydrophobicContact CB-CD2 4.34Å; D195-Y197 HydrophobicContact CB-CE2 3.66Å; D195-Y197 PolarHBondContact OD2-OH 3.02Å; Y197-E213 CarbonylContact O-C 3.58Å; Y197-E213 WeakPolarHBondContact O-CA 3.38Å; Y197-W214 AromaticContact CD2-CE3 3.54Å; Y197-W214 HydrophobicContact CD2-CE3 3.54Å; Y197-W214 AromaticContact CD2-CZ3 3.74Å; Y197-W214 HydrophobicContact CD2-CZ3 3.74Å; Y197-W214 HydrophobicContact CE2-CE3 4.18Å; Y197-W214 AromaticContact CE2-CZ3 3.88Å; Y197-W214 HydrophobicContact CE2-CZ3 3.88Å; Y197-W214 HydrophobicContact CG-CE3 4.23Å; Y197-W214 PolarHBondContact N-O 2.93Å; Y197-W214 PolarHBondContact O-N 2.73Å
198	T	98.4	Very high	96.4	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.135	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.4	179.1	-51.3	0	0	0	0	110.1	W157 F158 V212 E213	W157-T198 CarbonylContact C-O 3.6Å; F158-T198 PolarHBondContact N-O 3.37Å; F158-T198 PolarHBondContact O-N 2.98Å; T198-V212 WeakPolarHBondContact CA-O 3.36Å; T198-E213 HydrophobicContact CG2-CG 4.41Å
199	C	98.5	Very high	96.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.1	166.2	-177	0	0	0	0	109.2	V127 C143 W157 S211 V212	V127-C199 HydrophobicContact CG2-CB 3.67Å; C143-C199 HydrophobicContact CB-CB 3.61Å; C143-C199 WeakPolarHBondContact CB-SG 3Å; C143-C199 WeakPolarHBondContact SG-CB 3.45Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 3.32Å; W157-C199 HydrophobicContact CE3-CB 4.24Å; W157-C199 HydrophobicContact CH2-CB 3.99Å; W157-C199 HydrophobicContact CZ2-CB 4.41Å; W157-C199 HydrophobicContact CZ3-CB 3.9Å; C199-S211 WeakPolarHBondContact O-CA 3.23Å; C199-V212 PolarHBondContact N-O 3.29Å; C199-V212 PolarHBondContact O-N 3.03Å
200	L	98.6	Very high	96.5	Very high	28 Å²	28	48.5 Å²	48.5	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119	-179.9	-173.5	72.1	0	0	0	110.4	I155 R156 F158 P209 V210	I155-L200 WeakPolarHBondContact CA-O 3.42Å; R156-L200 PolarHBondContact N-O 2.75Å; R156-L200 VanDerWaalsContact NH2-CD2 3.3Å; R156-L200 PolarHBondContact O-N 3.09Å; F158-L200 HydrophobicContact CD2-CB 4.1Å; F158-L200 HydrophobicContact CD2-CD2 4.49Å; F158-L200 HydrophobicContact CE2-CB 3.9Å; F158-L200 HydrophobicContact CE2-CD2 3.63Å; F158-L200 HydrophobicContact CE2-CG 4.44Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å; L200-P209 HydrophobicContact CD1-CB 3.86Å; L200-P209 HydrophobicContact CD1-CG 4.28Å; L200-P209 HydrophobicContact CG-CB 4.38Å; L200-V210 WeakPolarHBondContact CA-O 3.37Å
201	V	98.7	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.5	-176.1	-177	0	0	0	0	110.3	P123 V125 V145 I153 I155 P209 V210	P123-V201 HydrophobicContact CG-CG1 4.16Å; V125-V201 HydrophobicContact CG1-CG2 3.91Å; V125-V201 HydrophobicContact CG2-CB 4.18Å; V125-V201 HydrophobicContact CG2-CG1 4.42Å; V125-V201 HydrophobicContact CG2-CG2 3.8Å; V145-V201 HydrophobicContact CG1-CG1 4.29Å; V145-V201 HydrophobicContact CG2-CG2 3.98Å; I153-V201 HydrophobicContact CD1-CG1 3.8Å; I153-V201 HydrophobicContact CG1-CG1 4.09Å; I155-V201 HydrophobicContact CG1-CG1 4.36Å; I155-V201 HydrophobicContact CG1-CG2 4.27Å; I155-V201 HydrophobicContact CG2-CG2 4.37Å; V201-P209 VanDerWaalsContact O-CA 3.29Å; V201-P209 WeakPolarHBondContact O-CA 3.31Å; V201-P209 WeakPolarHBondContact O-CB 3.45Å; V201-V210 PolarHBondContact N-O 2.92Å; V201-V210 PolarHBondContact O-N 3.08Å
202	H	98.6	Very high	96.8	Very high	65 Å²	65	50.5 Å²	50.5	30%	0.301	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.9	169.1	-69.1	-99.8	0	0	0	109.4	I153 K154 R156	I153-H202 WeakPolarHBondContact CG1-O 3.47Å; K154-H202 HydrophobicContact CB-CB 4.21Å; K154-H202 PolarHBondContact N-O 3.19Å; K154-H202 PolarHBondContact O-N 2.91Å; R156-H202 PolarHBondContact NH2-NE2 3.28Å
203	H	98.6	Very high	97.1	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.06	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147	179.3	-178.1	-106.7	0	0	0	110.4	V121 P123 F148 Y149 P150 D152 I153 S205 L206	V121-H203 PolarHBondContact O-CE1 3.46Å; V121-H203 VanDerWaalsContact O-CE1 3.28Å; P123-H203 HydrophobicContact CG-CB 4.41Å; F148-H203 AromaticContact CD2-NE2 3.89Å; Y149-H203 PolarHBondContact O-CE1 3.46Å; P150-H203 PolarHBondContact O-NE2 2.03Å; D152-H203 PolarHBondContact O-CD2 3.42Å; I153-H203 HydrophobicContact CD1-CB 4.24Å; I153-H203 HydrophobicContact CG1-CB 4.1Å; H203-S205 PolarHBondContact CE1-OG 3.26Å; H203-S205 WeakPolarHBondContact ND1-CB 3.44Å; H203-S205 PolarHBondContact ND1-N 3.03Å; H203-S205 PolarHBondContact ND1-OG 2.99Å; H203-S205 PolarHBondContact O-N 3.07Å; H203-S205 VanDerWaalsContact O-N 3.1Å; H203-L206 HydrophobicContact CB-CD1 4Å; H203-L206 HydrophobicContact CB-CG 4.3Å; H203-L206 WeakPolarHBondContact O-CB 3.46Å; H203-L206 PolarHBondContact O-N 2.92Å
204	S	97.9	Very high	97.3	Very high	52 Å²	52	45.2 Å²	45.2	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.2	-172.6	69.4	0	0	0	0	115.2	K120 P150	K120-S204 WeakPolarHBondContact CD-O 3.49Å; K120-S204 WeakPolarHBondContact CE-O 3.35Å; K120-S204 PolarHBondContact NZ-O 2.93Å; P150-S204 WeakPolarHBondContact CD-OG 3.4Å
205	S	98.1	Very high	97.5	Very high	16 Å²	16	48.8 Å²	48.8	11%	0.112	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.5	174.3	72.2	0	0	0	0	114.3	V121 Q122 H203	V121-S205 VanDerWaalsContact C-OG 3.28Å; V121-S205 WeakPolarHBondContact O-CB 3.04Å; V121-S205 PolarHBondContact O-OG 2.9Å; Q122-S205 VanDerWaalsContact CA-OG 3.24Å; Q122-S205 WeakPolarHBondContact CA-OG 3.49Å; Q122-S205 PolarHBondContact N-OG 3.42Å; Q122-S205 PolarHBondContact NE2-O 2.87Å; H203-S205 PolarHBondContact CE1-OG 3.26Å; H203-S205 WeakPolarHBondContact ND1-CB 3.44Å; H203-S205 PolarHBondContact ND1-N 3.03Å; H203-S205 PolarHBondContact ND1-OG 2.99Å; H203-S205 PolarHBondContact O-N 3.07Å; H203-S205 VanDerWaalsContact O-N 3.1Å
206	L	98.1	Very high	97.2	Very high	26 Å²	26	49.1 Å²	49.1	14%	0.136	27%	0.268	C	S	.	.			trans	-97.6	137.2	179.6	-62.1	171.4	0	0	0	110.3	Q122 P123 H203 S208 V210	Q122-L206 HydrophobicContact CB-CD2 4.17Å; Q122-L206 HydrophobicContact CG-CD2 3.9Å; P123-L206 HydrophobicContact CG-CD1 3.97Å; P123-L206 HydrophobicContact CG-CG 4.47Å; H203-L206 HydrophobicContact CB-CD1 4Å; H203-L206 HydrophobicContact CB-CG 4.3Å; H203-L206 WeakPolarHBondContact O-CB 3.46Å; H203-L206 PolarHBondContact O-N 2.92Å; L206-S208 WeakPolarHBondContact CB-O 3.46Å; L206-V210 HydrophobicContact CD1-CB 4.31Å; L206-V210 HydrophobicContact CD1-CG2 3.75Å; L206-V210 HydrophobicContact CD2-CG2 3.88Å; L206-V210 HydrophobicContact CG-CG2 4.45Å
207	L	97.1	Very high	96.1	Very high	186 Å²	186	56.4 Å²	56.4	97%	0.974	30%	0.301	S	S	*	.	S	Bend	trans	-74.5	-35.7	173.8	-64.4	176.2	0	0	0	111.9
208	S	97.3	Very high	94	Very high	81 Å²	81	60 Å²	60	57%	0.566	33%	0.327	S	S	*	.	S	Bend	trans	-134.1	150.7	175.6	57.6	0	0	0	0	108.8	L206	L206-S208 WeakPolarHBondContact CB-O 3.46Å
209	P	97.6	Very high	91.8	Very high	58 Å²	58	67.1 Å²	67.1	38%	0.377	36%	0.359	S	S	.	.			trans	-60.1	148.4	178.1	26.2	-34.1	0	0	0	111.6	L200 V201	L200-P209 HydrophobicContact CD1-CB 3.86Å; L200-P209 HydrophobicContact CD1-CG 4.28Å; L200-P209 HydrophobicContact CG-CB 4.38Å; V201-P209 VanDerWaalsContact O-CA 3.29Å; V201-P209 WeakPolarHBondContact O-CA 3.31Å; V201-P209 WeakPolarHBondContact O-CB 3.45Å
210	V	98.2	Very high	89.8	Confident	47 Å²	47	75.6 Å²	75.6	29%	0.285	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.7	174	170.5	0	0	0	0	108.2	V125 L200 V201 L206 V212	V125-V210 HydrophobicContact CB-CG1 4.19Å; V125-V210 HydrophobicContact CG2-CB 4.47Å; V125-V210 HydrophobicContact CG2-CG1 3.94Å; L200-V210 WeakPolarHBondContact CA-O 3.37Å; V201-V210 PolarHBondContact N-O 2.92Å; V201-V210 PolarHBondContact O-N 3.08Å; L206-V210 HydrophobicContact CD1-CB 4.31Å; L206-V210 HydrophobicContact CD1-CG2 3.75Å; L206-V210 HydrophobicContact CD2-CG2 3.88Å; L206-V210 HydrophobicContact CG-CG2 4.45Å; V210-V212 HydrophobicContact CG1-CG2 4.22Å
211	S	97.4	Very high	87.7	Confident	73 Å²	73	76.4 Å²	76.4	51%	0.51	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124	175.4	56.5	0	0	0	0	110	C199	C199-S211 WeakPolarHBondContact O-CA 3.23Å
212	V	98.1	Very high	85.9	Confident	38 Å²	38	85 Å²	85	23%	0.23	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.7	174.2	-178.5	0	0	0	0	108.6	V125 V127 T198 C199 V210	V125-V212 HydrophobicContact CB-CG2 3.88Å; V125-V212 HydrophobicContact CG1-CB 4.26Å; V125-V212 HydrophobicContact CG1-CG2 3.58Å; V127-V212 HydrophobicContact CB-CG1 3.9Å; V127-V212 HydrophobicContact CG2-CB 3.78Å; V127-V212 HydrophobicContact CG2-CG1 3.62Å; T198-V212 WeakPolarHBondContact CA-O 3.36Å; C199-V212 PolarHBondContact N-O 3.29Å; C199-V212 PolarHBondContact O-N 3.03Å; V210-V212 HydrophobicContact CG1-CG2 4.22Å
213	E	97.3	Very high	84	Confident	113 Å²	113	91 Å²	91	53%	0.528	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	143.3	176.1	-68.9	-170.9	-167.4	0	0	111.3	V196 Y197 T198 R215	V196-E213 HydrophobicContact CG1-CB 4.39Å; V196-E213 HydrophobicContact CG1-CG 4.17Å; V196-E213 WeakPolarHBondContact CG1-OE2 3.3Å; Y197-E213 CarbonylContact O-C 3.58Å; Y197-E213 WeakPolarHBondContact O-CA 3.38Å; T198-E213 HydrophobicContact CG2-CG 4.41Å; E213-R215 IonicContact OE2-CZ 3.79Å; E213-R215 IonicContact OE2-NE 3.67Å; E213-R215 IonicContact OE2-NH2 2.81Å; E213-R215 PolarHBondContact OE2-NH2 3.22Å
214	W	96.3	Very high	82.4	Confident	32 Å²	32	97.9 Å²	97.9	12%	0.121	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.7	168.7	-176.2	92.7	0	0	0	109.8	V127 P129 A133 L141 M189 Y197 V216	V127-W214 HydrophobicContact CB-CB 4.35Å; V127-W214 HydrophobicContact CG1-CB 3.52Å; V127-W214 HydrophobicContact CG1-CG 4.02Å; P129-W214 HydrophobicContact CB-CZ2 4.23Å; P129-W214 HydrophobicContact CG-CZ2 4.08Å; A133-W214 HydrophobicContact CB-CH2 3.47Å; A133-W214 VanDerWaalsContact CB-CH2 3.47Å; A133-W214 HydrophobicContact CB-CZ2 3.64Å; L141-W214 HydrophobicContact CD1-CB 4.41Å; L141-W214 HydrophobicContact CD1-CD2 3.59Å; L141-W214 HydrophobicContact CD1-CE3 3.89Å; L141-W214 HydrophobicContact CD1-CG 3.8Å; L141-W214 HydrophobicContact CD1-CZ2 4.48Å; L141-W214 HydrophobicContact CD1-CZ3 4.46Å; L141-W214 HydrophobicContact CD2-CB 4.22Å; L141-W214 HydrophobicContact CD2-CD2 4.21Å; L141-W214 HydrophobicContact CD2-CE3 3.92Å; L141-W214 HydrophobicContact CD2-CG 4.34Å; M189-W214 HydrophobicContact CE-CE3 4.43Å; M189-W214 HydrophobicContact CE-CH2 3.75Å; M189-W214 HydrophobicContact CE-CZ2 4.42Å; M189-W214 HydrophobicContact CE-CZ3 3.75Å; M189-W214 HydrophobicContact SD-CE3 4.44Å; M189-W214 HydrophobicContact SD-CH2 4.42Å; M189-W214 HydrophobicContact SD-CZ3 3.86Å; Y197-W214 AromaticContact CD2-CE3 3.54Å; Y197-W214 HydrophobicContact CD2-CE3 3.54Å; Y197-W214 AromaticContact CD2-CZ3 3.74Å; Y197-W214 HydrophobicContact CD2-CZ3 3.74Å; Y197-W214 HydrophobicContact CE2-CE3 4.18Å; Y197-W214 AromaticContact CE2-CZ3 3.88Å; Y197-W214 HydrophobicContact CE2-CZ3 3.88Å; Y197-W214 HydrophobicContact CG-CE3 4.23Å; Y197-W214 PolarHBondContact N-O 2.93Å; Y197-W214 PolarHBondContact O-N 2.73Å; W214-V216 HydrophobicContact CH2-CB 4.1Å; W214-V216 HydrophobicContact CZ3-CB 4.45Å
215	R	93.9	Very high	80.9	Confident	129 Å²	129	100 Å²	100	49%	0.487	49%	0.488	S	S	.	.			trans	-131.3	146.5	178.1	-64.5	174.2	-173.3	-102.8	-4.9	107.8	V196 E213 Q217	V196-R215 HydrophobicContact CG1-CG 4.32Å; V196-R215 HydrophobicContact CG2-CG 4.48Å; E213-R215 IonicContact OE2-CZ 3.79Å; E213-R215 IonicContact OE2-NE 3.67Å; E213-R215 IonicContact OE2-NH2 2.81Å; E213-R215 PolarHBondContact OE2-NH2 3.22Å; R215-Q217 PolarHBondContact O-N 3.13Å
216	V	88.8	Confident	79.9	Confident	25 Å²	25	103.5 Å²	103.5	15%	0.152	51%	0.505	C	S	.	.			trans	-60.5	115.3	170.3	68	0	0	0	0	108.3	A133 L135 P191 W214 S218	A133-V216 HydrophobicContact CB-CG2 4.44Å; L135-V216 HydrophobicContact CD2-CG1 3.86Å; L135-V216 HydrophobicContact CD2-CG2 4.39Å; P191-V216 HydrophobicContact CB-CB 4.31Å; W214-V216 HydrophobicContact CH2-CB 4.1Å; W214-V216 HydrophobicContact CZ3-CB 4.45Å; V216-S218 PolarHBondContact O-N 3.36Å
217	Q	72.3	Confident	79	Confident	174 Å²	174	106.2 Å²	106.2	81%	0.813	53%	0.526	S	S	*	.			trans	-70.5	119.9	175.2	-72.5	-179.3	-0.9	0	0	107.3	R215	R215-Q217 PolarHBondContact O-N 3.13Å
218	S	53.4	Low	78.3	Confident	81 Å²	81	99.3 Å²	99.3	57%	0.566	50%	0.5	S	S	*	.			trans	-63.1	140.1	164.6	69	0	0	0	0	107.8	V216 Y220	V216-S218 PolarHBondContact O-N 3.36Å; S218-Y220 PolarHBondContact O-N 3.34Å
219	E	53.8	Low	77.9	Confident	172 Å²	172	99.3 Å²	99.3	80%	0.804	49%	0.492	S	S	*	.	S	Bend	trans	-56.6	-6.9	171.6	-73.8	-168.7	138	0	0	113.2	S221	E219-S221 PolarHBondContact O-N 3.24Å
220	Y	55.3	Low	77.4	Confident	178 Å²	178	98.9 Å²	98.9	70%	0.698	49%	0.494	S	S	*	.			trans	-76.3	65	175.7	-134.2	-95	0	0	0	111.6	S218 W222 M225	S218-Y220 PolarHBondContact O-N 3.34Å; Y220-W222 PolarHBondContact O-N 2.81Å; Y220-M225 HydrophobicContact CE1-CG 4.42Å; Y220-M225 HydrophobicContact CE1-SD 3.85Å
221	S	55.9	Low	76.9	Confident	45 Å²	45	99.5 Å²	99.5	32%	0.315	50%	0.504	S	S	.	.			trans	-64	118.1	170.8	-174	0	0	0	0	109.6	E219 R223 K224 M225	E219-S221 PolarHBondContact O-N 3.24Å; S221-R223 PolarHBondContact O-N 3.31Å; S221-R223 WeakPolarHBondContact OG-CB 3.49Å; S221-R223 PolarHBondContact OG-N 3.06Å; S221-K224 PolarHBondContact O-N 2.87Å; S221-M225 PolarHBondContact O-N 2.82Å
222	W	60.2	Low	76.7	Confident	182 Å²	182	102.7 Å²	102.7	69%	0.689	51%	0.509	S	S	*	.	H	α-helix	trans	-48	-29.7	169.1	75.9	-73.2	0	0	0	112.7	Y220 K224 M225 L226	Y220-W222 PolarHBondContact O-N 2.81Å; W222-K224 PolarHBondContact O-N 3.42Å; W222-M225 PolarHBondContact O-N 2.91Å; W222-L226 HydrophobicContact CD2-CD1 4.08Å; W222-L226 HydrophobicContact CE3-CD1 3.09Å; W222-L226 HydrophobicContact CE3-CG 4.32Å; W222-L226 HydrophobicContact CH2-CD1 4.09Å; W222-L226 HydrophobicContact CZ3-CD1 3.1Å; W222-L226 PolarHBondContact O-N 2.98Å
223	R	57.7	Low	76.5	Confident	189 Å²	189	105.5 Å²	105.5	71%	0.713	52%	0.522	S	S	*	.	H	α-helix	trans	-61.9	-36.6	173.4	-81	168.4	74.3	-175.5	4.5	113	S221 S227	S221-R223 PolarHBondContact O-N 3.31Å; S221-R223 WeakPolarHBondContact OG-CB 3.49Å; S221-R223 PolarHBondContact OG-N 3.06Å; R223-S227 PolarHBondContact O-N 2.9Å
224	K	65.1	Low	76.4	Confident	158 Å²	158	104.9 Å²	104.9	69%	0.687	52%	0.522	S	S	*	.	H	α-helix	trans	-75.2	-36.2	176.5	-68.2	-167.9	-179.4	177.1	0	111.6	S221 W222 S227 G228	S221-K224 PolarHBondContact O-N 2.87Å; W222-K224 PolarHBondContact O-N 3.42Å; K224-S227 PolarHBondContact O-N 2.89Å; K224-G228 PolarHBondContact O-N 3.11Å
225	M	67.2	Low	76.3	Confident	98 Å²	98	105 Å²	105	48%	0.483	53%	0.532	S	S	.	.	H	α-helix	trans	-67	-40.3	176.5	-158.9	178.9	102.7	0	0	112.1	Y220 S221 W222 S227 G228 I229	Y220-M225 HydrophobicContact CE1-CG 4.42Å; Y220-M225 HydrophobicContact CE1-SD 3.85Å; S221-M225 PolarHBondContact O-N 2.82Å; W222-M225 PolarHBondContact O-N 2.91Å; M225-S227 PolarHBondContact O-N 2.77Å; M225-G228 PolarHBondContact O-N 3.28Å; M225-I229 HydrophobicContact CE-CD1 3.87Å; M225-I229 HydrophobicContact CG-CD1 4.23Å; M225-I229 WeakPolarHBondContact O-CG1 3.26Å; M225-I229 PolarHBondContact O-N 2.81Å
226	L	76.2	Confident	76.4	Confident	89 Å²	89	102.2 Å²	102.2	47%	0.466	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-39	175.4	-84.1	160.3	0	0	0	113.2	W222 G228 I229 A230	W222-L226 HydrophobicContact CD2-CD1 4.08Å; W222-L226 HydrophobicContact CE3-CD1 3.09Å; W222-L226 HydrophobicContact CE3-CG 4.32Å; W222-L226 HydrophobicContact CH2-CD1 4.09Å; W222-L226 HydrophobicContact CZ3-CD1 3.1Å; W222-L226 PolarHBondContact O-N 2.98Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 2.86Å; L226-I229 PolarHBondContact O-N 3.34Å; L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 2.91Å
227	S	80.4	Confident	76.7	Confident	83 Å²	83	105.8 Å²	105.8	58%	0.58	54%	0.544	S	S	*	.	H	α-helix	trans	-63.7	-38.9	174.7	-171.9	0	0	0	0	111.7	R223 K224 M225 A231	R223-S227 PolarHBondContact O-N 2.9Å; K224-S227 PolarHBondContact O-N 2.89Å; M225-S227 PolarHBondContact O-N 2.77Å; S227-A231 WeakPolarHBondContact O-CB 3.41Å; S227-A231 PolarHBondContact O-N 3.43Å; S227-A231 VanDerWaalsContact O-N 3.11Å
228	G	82.1	Confident	77.7	Confident	41 Å²	41	104.9 Å²	104.9	42%	0.423	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-44.2	176.4	0	0	0	0	0	112.8	K224 M225 L226 A231 F232	K224-G228 PolarHBondContact O-N 3.11Å; M225-G228 PolarHBondContact O-N 3.28Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 2.86Å; G228-A231 PolarHBondContact O-N 3.4Å; G228-F232 WeakPolarHBondContact O-CB 3.29Å; G228-F232 PolarHBondContact O-N 2.84Å
229	I	88.8	Confident	79.6	Confident	80 Å²	80	106.4 Å²	106.4	41%	0.41	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-42.7	177.7	-66.2	165.9	0	0	0	110.8	M225 L226 A231 F232 L233	M225-I229 HydrophobicContact CE-CD1 3.87Å; M225-I229 HydrophobicContact CG-CD1 4.23Å; M225-I229 WeakPolarHBondContact O-CG1 3.26Å; M225-I229 PolarHBondContact O-N 2.81Å; L226-I229 PolarHBondContact O-N 3.34Å; I229-A231 PolarHBondContact O-N 3.47Å; I229-F232 PolarHBondContact O-N 3.03Å; I229-L233 HydrophobicContact CG2-CD1 3.93Å; I229-L233 HydrophobicContact CG2-CG 4.34Å; I229-L233 WeakPolarHBondContact O-CB 3.45Å; I229-L233 WeakPolarHBondContact O-CG 3.09Å; I229-L233 PolarHBondContact O-N 3.03Å
230	A	86.4	Confident	81.6	Confident	49 Å²	49	103.3 Å²	103.3	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.7	0	0	0	0	0	112	L226 L234	L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 2.91Å; A230-L234 WeakPolarHBondContact O-CG 3.27Å; A230-L234 PolarHBondContact O-N 2.85Å; A230-L234 VanDerWaalsContact O-N 3.08Å
231	A	89	Confident	83.4	Confident	61 Å²	61	99.8 Å²	99.8	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-40.3	177.1	0	0	0	0	0	112.5	S227 G228 I229 L234 G235	S227-A231 WeakPolarHBondContact O-CB 3.41Å; S227-A231 PolarHBondContact O-N 3.43Å; S227-A231 VanDerWaalsContact O-N 3.11Å; G228-A231 PolarHBondContact O-N 3.4Å; I229-A231 PolarHBondContact O-N 3.47Å; A231-L234 PolarHBondContact O-N 2.77Å; A231-G235 PolarHBondContact O-N 3.24Å
232	F	92.6	Very high	85.1	Confident	140 Å²	140	99.1 Å²	99.1	61%	0.614	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-42.7	178.2	-173.5	-104.2	0	0	0	112.4	G228 I229 G235 L236	G228-F232 WeakPolarHBondContact O-CB 3.29Å; G228-F232 PolarHBondContact O-N 2.84Å; I229-F232 PolarHBondContact O-N 3.03Å; F232-G235 PolarHBondContact O-N 3.05Å; F232-L236 HydrophobicContact CD1-CD1 3.89Å; F232-L236 HydrophobicContact CE1-CD1 3.49Å; F232-L236 VanDerWaalsContact CE1-CD1 3.49Å; F232-L236 HydrophobicContact CE1-CG 4.17Å; F232-L236 HydrophobicContact CZ-CD1 4.13Å; F232-L236 HydrophobicContact CZ-CG 4.4Å; F232-L236 PolarHBondContact O-N 2.86Å
233	L	94.5	Very high	86.6	Confident	96 Å²	96	95 Å²	95	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-41.6	176.2	-72	173.7	0	0	0	111.9	I229 G235 L236 I237	I229-L233 HydrophobicContact CG2-CD1 3.93Å; I229-L233 HydrophobicContact CG2-CG 4.34Å; I229-L233 WeakPolarHBondContact O-CB 3.45Å; I229-L233 WeakPolarHBondContact O-CG 3.09Å; I229-L233 PolarHBondContact O-N 3.03Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 2.7Å; L233-L236 PolarHBondContact O-N 3.13Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 2.94Å
234	L	94.7	Very high	88.1	Confident	101 Å²	101	89.7 Å²	89.7	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-60.3	-43.8	173.4	-74.8	166.5	0	0	0	111.2	A230 A231 L236 I237 F238	A230-L234 WeakPolarHBondContact O-CG 3.27Å; A230-L234 PolarHBondContact O-N 2.85Å; A230-L234 VanDerWaalsContact O-N 3.08Å; A231-L234 PolarHBondContact O-N 2.77Å; L234-L236 PolarHBondContact O-N 2.78Å; L234-I237 PolarHBondContact O-N 2.76Å; L234-F238 WeakPolarHBondContact O-CD2 3.26Å; L234-F238 PolarHBondContact O-N 2.66Å; L234-F238 VanDerWaalsContact O-N 3.16Å
235	G	93.8	Very high	89.1	Confident	33 Å²	33	87.2 Å²	87.2	34%	0.34	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-42.6	176.5	0	0	0	0	0	113.7	A231 F232 L233 I237 F238 L239	A231-G235 PolarHBondContact O-N 3.24Å; F232-G235 PolarHBondContact O-N 3.05Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 2.7Å; G235-I237 VanDerWaalsContact C-N 3.35Å; G235-I237 PolarHBondContact O-N 2.86Å; G235-F238 PolarHBondContact O-N 3.26Å; G235-L239 PolarHBondContact O-N 3.15Å
236	L	95.6	Very high	89.8	Confident	72 Å²	72	88.6 Å²	88.6	38%	0.377	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-38.5	177	-78.3	170.2	0	0	0	112.7	F232 L233 L234 L239 L240	F232-L236 HydrophobicContact CD1-CD1 3.89Å; F232-L236 HydrophobicContact CE1-CD1 3.49Å; F232-L236 VanDerWaalsContact CE1-CD1 3.49Å; F232-L236 HydrophobicContact CE1-CG 4.17Å; F232-L236 HydrophobicContact CZ-CD1 4.13Å; F232-L236 HydrophobicContact CZ-CG 4.4Å; F232-L236 PolarHBondContact O-N 2.86Å; L233-L236 PolarHBondContact O-N 3.13Å; L234-L236 PolarHBondContact O-N 2.78Å; L236-L239 PolarHBondContact O-N 3.08Å; L236-L240 WeakPolarHBondContact O-CB 3.4Å; L236-L240 WeakPolarHBondContact O-CG 3.24Å; L236-L240 PolarHBondContact O-N 2.94Å
237	I	95.2	Very high	90.1	Very high	99 Å²	99	88.7 Å²	88.7	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-44.1	177	-65.5	163.3	0	0	0	110.4	L233 L234 G235 L240 M241	L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 2.94Å; L234-I237 PolarHBondContact O-N 2.76Å; G235-I237 VanDerWaalsContact C-N 3.35Å; G235-I237 PolarHBondContact O-N 2.86Å; I237-L240 PolarHBondContact O-N 3.01Å; I237-M241 WeakPolarHBondContact O-CB 3.49Å; I237-M241 WeakPolarHBondContact O-CG 3.47Å; I237-M241 PolarHBondContact O-N 2.89Å
238	F	93.7	Very high	90	Very high	156 Å²	156	93.7 Å²	93.7	68%	0.684	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-39.5	176.3	-78.2	-68.5	0	0	0	112.5	L234 G235 M241 G242	L234-F238 WeakPolarHBondContact O-CD2 3.26Å; L234-F238 PolarHBondContact O-N 2.66Å; L234-F238 VanDerWaalsContact O-N 3.16Å; G235-F238 PolarHBondContact O-N 3.26Å; F238-M241 PolarHBondContact O-N 3.1Å; F238-G242 PolarHBondContact O-N 2.9Å
239	L	94.3	Very high	89.6	Confident	113 Å²	113	94.5 Å²	94.5	59%	0.592	50%	0.502	S	S	*	.	H	α-helix	trans	-64.3	-46	175.4	-78.1	169	0	0	0	112.1	G235 L236 M241 G242 I243	G235-L239 PolarHBondContact O-N 3.15Å; L236-L239 PolarHBondContact O-N 3.08Å; L239-M241 VanDerWaalsContact C-N 3.35Å; L239-M241 PolarHBondContact O-N 2.85Å; L239-G242 PolarHBondContact O-N 2.89Å; L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 2.8Å
240	L	94.3	Very high	88.7	Confident	106 Å²	106	96.4 Å²	96.4	56%	0.555	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-43.7	177.1	-75.9	168.4	0	0	0	111.6	L236 I237 I243 I244	L236-L240 WeakPolarHBondContact O-CB 3.4Å; L236-L240 WeakPolarHBondContact O-CG 3.24Å; L236-L240 PolarHBondContact O-N 2.94Å; I237-L240 PolarHBondContact O-N 3.01Å; L240-I243 PolarHBondContact O-N 3.37Å; L240-I244 WeakPolarHBondContact O-CD1 3.2Å; L240-I244 VanDerWaalsContact O-CG1 3.3Å; L240-I244 WeakPolarHBondContact O-CG1 3.48Å; L240-I244 PolarHBondContact O-N 3.46Å
241	M	93.6	Very high	87.6	Confident	104 Å²	104	102 Å²	102	51%	0.512	53%	0.525	S	S	.	.	H	α-helix	trans	-61.6	-42.9	174.4	-78.9	-68.2	-72.9	0	0	111.9	I237 F238 L239 I244 I245	I237-M241 WeakPolarHBondContact O-CB 3.49Å; I237-M241 WeakPolarHBondContact O-CG 3.47Å; I237-M241 PolarHBondContact O-N 2.89Å; F238-M241 PolarHBondContact O-N 3.1Å; L239-M241 VanDerWaalsContact C-N 3.35Å; L239-M241 PolarHBondContact O-N 2.85Å; M241-I244 PolarHBondContact O-N 3.42Å; M241-I245 VanDerWaalsContact O-CG1 3.26Å; M241-I245 WeakPolarHBondContact O-CG1 3.48Å; M241-I245 PolarHBondContact O-N 2.99Å
242	G	91.1	Very high	86.2	Confident	32 Å²	32	100.7 Å²	100.7	33%	0.33	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-44.3	175.4	0	0	0	0	0	113	F238 L239 I245 Q246	F238-G242 PolarHBondContact O-N 2.9Å; L239-G242 PolarHBondContact O-N 2.89Å; G242-I245 PolarHBondContact O-N 3.19Å; G242-Q246 WeakPolarHBondContact O-CB 3.34Å; G242-Q246 WeakPolarHBondContact O-CG 3.34Å; G242-Q246 PolarHBondContact O-N 2.96Å
243	I	92.4	Very high	84.3	Confident	95 Å²	95	101.5 Å²	101.5	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-42.8	176.5	-67.8	166.1	0	0	0	110.8	L239 L240 I245 Q246 L247	L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 2.8Å; L240-I243 PolarHBondContact O-N 3.37Å; I243-I245 VanDerWaalsContact C-N 3.32Å; I243-I245 PolarHBondContact O-N 3.47Å; I243-Q246 PolarHBondContact O-N 2.86Å; I243-L247 HydrophobicContact CG2-CD1 3.76Å; I243-L247 HydrophobicContact CG2-CG 4.2Å; I243-L247 WeakPolarHBondContact O-CB 3.23Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 3.45Å; I243-L247 PolarHBondContact O-N 2.97Å
244	I	88.9	Confident	82.4	Confident	78 Å²	78	101.2 Å²	101.2	40%	0.4	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-42.1	176.8	-71.1	161.8	0	0	0	111	L240 M241 L247 R248	L240-I244 WeakPolarHBondContact O-CD1 3.2Å; L240-I244 VanDerWaalsContact O-CG1 3.3Å; L240-I244 WeakPolarHBondContact O-CG1 3.48Å; L240-I244 PolarHBondContact O-N 3.46Å; M241-I244 PolarHBondContact O-N 3.42Å; I244-L247 PolarHBondContact O-N 3.34Å; I244-R248 WeakPolarHBondContact O-CB 3.43Å; I244-R248 VanDerWaalsContact O-CG 3.31Å; I244-R248 WeakPolarHBondContact O-CG 3.46Å; I244-R248 PolarHBondContact O-N 3.42Å
245	I	87.3	Confident	80.3	Confident	105 Å²	105	106.1 Å²	106.1	54%	0.538	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-45.2	177.3	-67.4	164.5	0	0	0	110.6	M241 G242 I243 R248 A249	M241-I245 VanDerWaalsContact O-CG1 3.26Å; M241-I245 WeakPolarHBondContact O-CG1 3.48Å; M241-I245 PolarHBondContact O-N 2.99Å; G242-I245 PolarHBondContact O-N 3.19Å; I243-I245 VanDerWaalsContact C-N 3.32Å; I243-I245 PolarHBondContact O-N 3.47Å; I245-R248 PolarHBondContact O-N 3.39Å; I245-A249 WeakPolarHBondContact O-CB 3.24Å; I245-A249 PolarHBondContact O-N 2.72Å
246	Q	82.1	Confident	78.3	Confident	127 Å²	127	109.4 Å²	109.4	59%	0.593	54%	0.544	S	S	*	.	H	α-helix	trans	-60.5	-44.6	175.8	-75.6	-77.4	-20.3	0	0	112.1	G242 I243 R248 A249 Q250	G242-Q246 WeakPolarHBondContact O-CB 3.34Å; G242-Q246 WeakPolarHBondContact O-CG 3.34Å; G242-Q246 PolarHBondContact O-N 2.96Å; I243-Q246 PolarHBondContact O-N 2.86Å; Q246-R248 VanDerWaalsContact C-N 3.34Å; Q246-R248 PolarHBondContact O-N 3.32Å; Q246-A249 PolarHBondContact O-N 3.13Å; Q246-Q250 WeakPolarHBondContact O-CG 3.49Å; Q246-Q250 PolarHBondContact O-N 2.64Å
247	L	82.1	Confident	76	Confident	92 Å²	92	111.2 Å²	111.2	48%	0.482	55%	0.551	S	S	.	*	H	α-helix	trans	-65.6	-36	176.4	-71.8	172.8	0	0	0	112.2	I243 I244 K251	I243-L247 HydrophobicContact CG2-CD1 3.76Å; I243-L247 HydrophobicContact CG2-CG 4.2Å; I243-L247 WeakPolarHBondContact O-CB 3.23Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 3.45Å; I243-L247 PolarHBondContact O-N 2.97Å; I244-L247 PolarHBondContact O-N 3.34Å; L247-K251 WeakPolarHBondContact O-CB 3.23Å; L247-K251 WeakPolarHBondContact O-CG 3.4Å; L247-K251 PolarHBondContact O-N 3.48Å
248	R	76.9	Confident	73.5	Confident	188 Å²	188	113.4 Å²	113.4	71%	0.709	56%	0.561	S	S	*	*	H	α-helix	trans	-68.5	-38.5	172.4	-75.2	-176.8	-178.4	-166.4	2.3	111.7	I244 I245 Q246 K251 G252	I244-R248 WeakPolarHBondContact O-CB 3.43Å; I244-R248 VanDerWaalsContact O-CG 3.31Å; I244-R248 WeakPolarHBondContact O-CG 3.46Å; I244-R248 PolarHBondContact O-N 3.42Å; I245-R248 PolarHBondContact O-N 3.39Å; Q246-R248 VanDerWaalsContact C-N 3.34Å; Q246-R248 PolarHBondContact O-N 3.32Å; R248-K251 PolarHBondContact O-N 3.33Å; R248-G252 PolarHBondContact O-N 3.09Å
249	A	73.9	Confident	71.3	Confident	58 Å²	58	109.2 Å²	109.2	48%	0.479	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-41.8	175.6	0	0	0	0	0	112	I245 Q246 G252 Y253	I245-A249 WeakPolarHBondContact O-CB 3.24Å; I245-A249 PolarHBondContact O-N 2.72Å; Q246-A249 PolarHBondContact O-N 3.13Å; A249-G252 CarbonylContact O-C 3.48Å; A249-G252 WeakPolarHBondContact O-CA 3.45Å; A249-G252 PolarHBondContact O-N 3.47Å; A249-G252 VanDerWaalsContact O-N 3.14Å; A249-Y253 WeakPolarHBondContact O-CB 3.46Å; A249-Y253 PolarHBondContact O-N 2.81Å
250	Q	69.6	Low	69	Low	120 Å²	120	105.7 Å²	105.7	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-63.4	-40.6	173	-76.5	-169.4	-22.5	0	0	112	Q246 G252 Y253 V254	Q246-Q250 WeakPolarHBondContact O-CG 3.49Å; Q246-Q250 PolarHBondContact O-N 2.64Å; Q250-G252 VanDerWaalsContact C-N 3.28Å; Q250-G252 PolarHBondContact O-N 3.25Å; Q250-Y253 PolarHBondContact O-N 3.4Å; Q250-V254 WeakPolarHBondContact O-CG2 3.37Å; Q250-V254 PolarHBondContact O-N 3.19Å
251	K	63.8	Low	66.7	Low	165 Å²	165	105.9 Å²	105.9	72%	0.717	54%	0.543	S	S	*	.	H	α-helix	trans	-64.1	-32.6	172.3	-77.7	-178.3	179.7	-176.9	0	112.9	L247 R248 R255	L247-K251 WeakPolarHBondContact O-CB 3.23Å; L247-K251 WeakPolarHBondContact O-CG 3.4Å; L247-K251 PolarHBondContact O-N 3.48Å; R248-K251 PolarHBondContact O-N 3.33Å; K251-R255 WeakPolarHBondContact O-CB 3.5Å; K251-R255 PolarHBondContact O-N 2.84Å
252	G	59.1	Low	64.4	Low	34 Å²	34	108.3 Å²	108.3	35%	0.351	55%	0.553	S	S	.	*	H	α-helix	trans	-67.3	-47.9	171.5	0	0	0	0	0	112.3	R248 A249 Q250 R255 T256	R248-G252 PolarHBondContact O-N 3.09Å; A249-G252 CarbonylContact O-C 3.48Å; A249-G252 WeakPolarHBondContact O-CA 3.45Å; A249-G252 PolarHBondContact O-N 3.47Å; A249-G252 VanDerWaalsContact O-N 3.14Å; Q250-G252 VanDerWaalsContact C-N 3.28Å; Q250-G252 PolarHBondContact O-N 3.25Å; G252-R255 PolarHBondContact O-N 2.69Å; G252-T256 PolarHBondContact O-N 2.73Å; G252-T256 PolarHBondContact O-OG1 2.76Å
253	Y	54	Low	62.4	Low	158 Å²	158	111.3 Å²	111.3	62%	0.62	57%	0.565	S	S	*	*	H	α-helix	trans	-63	-43.3	-179.2	-172	-94.6	0	0	0	112.9	A249 Q250 R255 T256 Q257	A249-Y253 WeakPolarHBondContact O-CB 3.46Å; A249-Y253 PolarHBondContact O-N 2.81Å; Q250-Y253 PolarHBondContact O-N 3.4Å; Y253-R255 VanDerWaalsContact C-N 3.3Å; Y253-R255 PolarHBondContact O-N 2.92Å; Y253-T256 PolarHBondContact O-N 2.74Å; Y253-Q257 WeakPolarHBondContact O-CB 3.11Å; Y253-Q257 PolarHBondContact O-N 2.83Å
254	V	54.4	Low	60	Low	89 Å²	89	111.3 Å²	111.3	54%	0.539	57%	0.573	S	S	.	*	H	α-helix	trans	-64.8	-34.1	176.2	173.6	0	0	0	0	111.8	Q250 M258	Q250-V254 WeakPolarHBondContact O-CG2 3.37Å; Q250-V254 PolarHBondContact O-N 3.19Å; V254-M258 PolarHBondContact O-N 2.84Å; V254-M258 VanDerWaalsContact O-N 3.11Å
255	R	50.4	Low	57.9	Low	205 Å²	205	118 Å²	118	77%	0.774	59%	0.594	S	S	*	*	H	α-helix	trans	-72	-34.1	176	-174.3	170	-81.6	179.9	-7.2	112.2	K251 G252 Y253 S259	K251-R255 WeakPolarHBondContact O-CB 3.5Å; K251-R255 PolarHBondContact O-N 2.84Å; G252-R255 PolarHBondContact O-N 2.69Å; Y253-R255 VanDerWaalsContact C-N 3.3Å; Y253-R255 PolarHBondContact O-N 2.92Å; R255-S259 PolarHBondContact O-N 2.98Å
256	T	50.9	Low	55.8	Low	102 Å²	102	117 Å²	117	63%	0.626	60%	0.601	S	S	*	*	H	α-helix	trans	-74.9	-31.8	174.4	-37.2	0	0	0	0	112.2	G252 Y253 S259 G260	G252-T256 PolarHBondContact O-N 2.73Å; G252-T256 PolarHBondContact O-OG1 2.76Å; Y253-T256 PolarHBondContact O-N 2.74Å; T256-S259 PolarHBondContact O-N 2.9Å; T256-G260 PolarHBondContact O-N 2.86Å
257	Q	47.3	Very low	54.3	Low	110 Å²	110	116.6 Å²	116.6	51%	0.514	61%	0.607	S	S	.	*	H	α-helix	trans	-72.3	-35.8	176.5	-150.8	175.9	-1.1	0	0	112.3	Y253 S259 G260 D261	Y253-Q257 WeakPolarHBondContact O-CB 3.11Å; Y253-Q257 PolarHBondContact O-N 2.83Å; Q257-S259 VanDerWaalsContact C-N 3.31Å; Q257-S259 PolarHBondContact O-N 2.86Å; Q257-G260 PolarHBondContact O-N 2.99Å; Q257-D261 PolarHBondContact O-N 3.41Å
258	M	44.3	Very low	52.8	Low	144 Å²	144	119.7 Å²	119.7	71%	0.709	62%	0.623	S	S	*	*	H	α-helix	trans	-62.8	-34.4	168.7	-101.6	178.9	149.3	0	0	112.9	V254 E262	V254-M258 PolarHBondContact O-N 2.84Å; V254-M258 VanDerWaalsContact O-N 3.11Å; M258-E262 PolarHBondContact O-N 2.79Å
259	S	46.6	Very low	50.9	Low	69 Å²	69	118.8 Å²	118.8	48%	0.483	63%	0.631	S	S	.	*	H	α-helix	trans	-75.5	-24.1	174.9	-176.6	0	0	0	0	113.5	R255 T256 Q257 V263	R255-S259 PolarHBondContact O-N 2.98Å; T256-S259 PolarHBondContact O-N 2.9Å; Q257-S259 VanDerWaalsContact C-N 3.31Å; Q257-S259 PolarHBondContact O-N 2.86Å; S259-V263 WeakPolarHBondContact O-CG2 2.99Å
260	G	46.3	Very low	50	Low	38 Å²	38	121.2 Å²	121.2	39%	0.392	64%	0.642	S	S	.	*	H	α-helix	trans	-79.4	-33.5	176.5	0	0	0	0	0	113.9	T256 Q257 S264	T256-G260 PolarHBondContact O-N 2.86Å; Q257-G260 PolarHBondContact O-N 2.99Å; G260-S264 PolarHBondContact O-N 3.08Å
261	D	45.3	Very low	48.5	Very low	110 Å²	110	124 Å²	124	59%	0.588	66%	0.655	S	S	*	*	H	α-helix	trans	-76	-22.9	175.1	-87.8	-12.8	0	0	0	113.1	Q257	Q257-D261 PolarHBondContact O-N 3.41Å
262	E	46.1	Very low	47.6	Very low	155 Å²	155	120.9 Å²	120.9	72%	0.724	65%	0.652	S	S	*	*	H	α-helix	trans	-77.9	-27.6	174.6	-149.5	163.2	-165.3	0	0	112.2	M258	M258-E262 PolarHBondContact O-N 2.79Å
263	V	47.9	Very low	46.7	Very low	96 Å²	96	129 Å²	129	58%	0.582	70%	0.701	S	S	*	*	H	α-helix	trans	-79.1	-35.1	175	174.2	0	0	0	0	112.1	S259 R265 A266	S259-V263 WeakPolarHBondContact O-CG2 2.99Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 2.93Å; V263-A266 PolarHBondContact O-N 3.42Å
264	S	42.7	Very low	46.4	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	71%	0.705	S	S	*	*	H	α-helix	trans	-72.2	-19.4	177.4	-69.5	0	0	0	0	114.1	G260	G260-S264 PolarHBondContact O-N 3.08Å
265	R	44.5	Very low	45.9	Very low	220 Å²	220	129.5 Å²	129.5	83%	0.83	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-8.3	172.8	-93.8	-172	-165	124.2	5.3	114.7	V263	V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 2.93Å
266	A	44.1	Very low	45.7	Very low	83 Å²	83	125.3 Å²	125.3	69%	0.686	71%	0.71	S	S	*	*	S	Bend	trans	-93.7	-2	-177.2	0	0	0	0	0	114.8	V263	V263-A266 PolarHBondContact O-N 3.42Å
267	V	49.8	Very low	45.4	Very low	119 Å²	119	126.7 Å²	126.7	72%	0.721	72%	0.715	S	S	*	*	S	Bend	trans	-104.5	-1.9	-173.7	-176.6	0	0	0	0	114
268	L	50.4	Low	45.3	Very low	157 Å²	157	127.8 Å²	127.8	82%	0.822	73%	0.727	S	S	*	*			trans	-125.5	85.8	175.8	-74	170.4	0	0	0	110.9
269	L	38.3	Very low	45.3	Very low	169 Å²	169	126.7 Å²	126.7	89%	0.885	73%	0.729	S	S	*	*			trans	-152.1	139.9	139.4	-97	164.7	0	0	0	108.9
270	P	54.7	Low	45.2	Very low	108 Å²	108	130.8 Å²	130.8	70%	0.701	75%	0.746	S	S	*	*			trans	-86.8	172.2	-168.6	38	-34.5	0	0	0	111.1
271	Q	37.6	Very low	45.2	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	77%	0.773	S	S	*	*			trans	160.3	170.3	140.1	-89.8	-156.9	-7.1	0	0	110.5
272	P	45.9	Very low	45.1	Very low	99 Å²	99	140.3 Å²	140.3	64%	0.643	79%	0.789	S	S	*	*				-132.4	-174.4	-68.9	36	-15.4	0	0	0	111.1
273	C	39.6	Very low	45.1	Very low	204 Å²	204	138.9 Å²	138.9	100%	1.378	80%	0.795	S	S	*	*			trans	81.5	0	174.1	-63.3	0	0	0	0	117.3

Retrieved 273 of 273 residues in 69.6 ms (Link to these results)

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