A0A076KXE7_PIG Loading...

C-type lectin domain family 12 member A

AlphaFold DB , UniProt , Accession A0A076KXE7, Species PIG (Sus scrofa, Pig), Gene CLEC12A, Length 263 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	39.8	Very low	43.1	Very low	246 Å²	246	159.4 Å²	159.4	100%	1.212	84%	0.837	S	S	*	*				0	119.1	0	-156.6	152.3	83.2	0	0	105.8
2	S	44.1	Very low	42.5	Very low	105 Å²	105	162.8 Å²	162.8	73%	0.734	84%	0.84	S	S	*	*			trans	-74.4	-178.2	-166.7	-51	0	0	0	0	112.8
3	E	41	Very low	41.9	Very low	184 Å²	184	164.7 Å²	164.7	86%	0.86	84%	0.843	S	S	*	*			trans	100.5	133.7	158.6	-62.8	168	-160.8	0	0	115.2
4	E	40.8	Very low	41.4	Very low	169 Å²	169	163.6 Å²	163.6	79%	0.79	84%	0.84	S	S	*	*			cis	-166.7	147.7	-12.4	-156.7	175.5	-168.6	0	0	105.3
5	V	48.1	Very low	40.9	Very low	132 Å²	132	159.5 Å²	159.5	80%	0.8	83%	0.832	S	S	*	*			trans	-93.1	125.3	175.3	177.6	0	0	0	0	107.9
6	T	48	Very low	40.4	Very low	136 Å²	136	153.8 Å²	153.8	83%	0.834	82%	0.823	S	S	*	*			trans	-108.9	113.2	169.9	-35.9	0	0	0	0	109.5
7	Y	40.3	Very low	39.9	Very low	193 Å²	193	154.8 Å²	154.8	76%	0.757	82%	0.818	S	S	*	*			trans	-93.9	152.5	172.4	-138.7	-94.3	0	0	0	109.5
8	A	48.6	Very low	39.4	Very low	95 Å²	95	157.1 Å²	157.1	79%	0.785	82%	0.82	S	S	*	*			trans	-116.8	107.2	160.4	0	0	0	0	0	108.6
9	D	40.3	Very low	39.1	Very low	142 Å²	142	155.5 Å²	155.5	76%	0.759	81%	0.808	S	S	*	*			trans	-81.6	131.7	167	-110.3	-46.6	0	0	0	108.9
10	L	43.4	Very low	38.4	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	80%	0.804	S	S	*	*			trans	-115.9	103.8	163.1	-87.5	167.4	0	0	0	109
11	K	39.3	Very low	37.9	Very low	187 Å²	187	152.2 Å²	152.2	81%	0.813	80%	0.797	S	S	*	*			trans	-89.6	132.1	175.3	-146.8	175.3	-167.3	173.8	0	108
12	F	36.2	Very low	37.4	Very low	200 Å²	200	148.1 Å²	148.1	88%	0.877	78%	0.775	S	S	*	*			trans	-123	137.9	152.6	-85.5	-76.9	0	0	0	110.9
13	Q	34.9	Very low	37	Very low	188 Å²	188	150.1 Å²	150.1	88%	0.879	77%	0.773	S	S	*	*			trans	-73.9	152.5	-160.2	-90.6	177.1	-53.9	0	0	114.6
14	D	34.9	Very low	36.3	Very low	149 Å²	149	151 Å²	151	80%	0.797	77%	0.774	S	S	*	*			trans	-81.7	162.5	172.6	-169.8	18.1	0	0	0	112.6
15	S	34.3	Very low	35.7	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	77%	0.772	S	S	*	*			trans	69.1	108.9	143.4	-154.2	0	0	0	0	121.5
16	G	32.8	Very low	35.1	Very low	67 Å²	67	147.2 Å²	147.2	69%	0.691	77%	0.772	S	S	*	*				96.5	125.3	101.2	0	0	0	0	0	118.6
17	K	31.6	Very low	34.6	Very low	172 Å²	172	149.7 Å²	149.7	75%	0.748	77%	0.772	S	S	*	*				172.1	133.3	116	-105.3	-170.4	172.3	-155.4	0	113.5	E19	K17-E19 IonicContact NZ-OE1 3.18Å; K17-E19 PolarHBondContact NZ-OE1 3.1Å
18	K	30.8	Very low	34.3	Very low	195 Å²	195	143.9 Å²	143.9	85%	0.848	77%	0.77	S	S	*	*				-172	108.9	111.9	-94.9	176	-178.8	-175.4	0	106.6
19	E	34	Very low	34.4	Very low	128 Å²	128	146.4 Å²	146.4	60%	0.598	77%	0.769	S	S	*	*				48.6	129.7	95	-83.2	172.9	-161.1	0	0	112.2	K17	K17-E19 IonicContact NZ-OE1 3.18Å; K17-E19 PolarHBondContact NZ-OE1 3.1Å
20	N	25.6	Very low	34.4	Very low	134 Å²	134	149 Å²	149	72%	0.717	77%	0.773	S	S	*	*			cis	-172.1	158.4	20.3	-122.9	-17.3	0	0	0	110.3
21	T	27.9	Very low	34.3	Very low	107 Å²	107	146.1 Å²	146.1	66%	0.656	76%	0.762	S	S	*	*			trans	71.2	105.2	140.8	-48.3	0	0	0	0	122.5
22	Q	29.3	Very low	35.1	Very low	160 Å²	160	142.5 Å²	142.5	75%	0.748	76%	0.758	S	S	*	*				65.3	127.5	115.9	-143.8	176	-14.1	0	0	123.3
23	E	33.9	Very low	35.8	Very low	148 Å²	148	138.4 Å²	138.4	69%	0.692	75%	0.751	S	S	*	*			trans	43.9	121.9	151.3	-78.4	-176	131.4	0	0	121.8
24	F	26.3	Very low	36.7	Very low	201 Å²	201	133.1 Å²	133.1	88%	0.882	74%	0.74	S	S	*	*				176.9	150.5	99.7	-116.4	-92.7	0	0	0	110.1
25	G	28.4	Very low	37.6	Very low	73 Å²	73	130.2 Å²	130.2	75%	0.753	73%	0.729	S	S	*	*			trans	110.3	101.1	146.4	0	0	0	0	0	116
26	N	36.4	Very low	38.6	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	72%	0.717	S	S	*	*			trans	-64.2	154.8	165.8	-145.6	3.1	0	0	0	111.1
27	F	37.4	Very low	39.9	Very low	189 Å²	189	132 Å²	132	83%	0.829	71%	0.714	S	S	*	*			trans	71.2	103.1	162.4	-101.8	-101	0	0	0	119.4
28	G	34.5	Very low	41.3	Very low	70 Å²	70	127.4 Å²	127.4	72%	0.722	70%	0.7	S	S	*	*			trans	-175.5	84.8	159.6	0	0	0	0	0	110.5	K30	G28-K30 PolarHBondContact O-N 2.99Å
29	I	49.8	Very low	42.7	Very low	149 Å²	149	126.7 Å²	126.7	76%	0.764	69%	0.693	S	S	*	*			trans	-51.7	107.1	169	-64	169.9	0	0	0	108.5	V31	I29-V31 HydrophobicContact CG2-CG2 3.96Å
30	K	39.8	Very low	44.7	Very low	197 Å²	197	129.4 Å²	129.4	86%	0.857	70%	0.697	S	S	*	*			trans	-127.7	92.1	147.9	-84.5	-175.2	179.8	176.7	0	107.2	G28	G28-K30 PolarHBondContact O-N 2.99Å
31	V	42.1	Very low	47.2	Very low	102 Å²	102	127.7 Å²	127.7	62%	0.618	69%	0.685	S	S	*	*			trans	-36.3	119.8	160.1	175.4	0	0	0	0	108.4	I29	I29-V31 HydrophobicContact CG2-CG2 3.96Å
32	P	56.3	Low	49.8	Very low	112 Å²	112	130.6 Å²	130.6	73%	0.727	68%	0.684	S	S	*	*			trans	-59.7	125.3	156.7	0.2	12.7	0	0	0	104.3	A34	P32-A34 PolarHBondContact O-N 2.8Å
33	P	50.5	Low	52.5	Low	114 Å²	114	125.3 Å²	125.3	74%	0.74	67%	0.667	S	S	*	*			trans	-51.4	123.7	-174.6	21	-30.5	0	0	0	107.4
34	A	55	Low	55	Low	76 Å²	76	123.1 Å²	123.1	63%	0.628	66%	0.66	S	S	*	*			trans	-43.6	130.5	170.9	0	0	0	0	0	106.5	P32	P32-A34 PolarHBondContact O-N 2.8Å
35	P	53.8	Low	58	Low	88 Å²	88	117.5 Å²	117.5	57%	0.571	64%	0.642	S	S	*	*			trans	-50.1	125.2	-175.4	19.8	-30.8	0	0	0	106.2	H37	P35-H37 PolarHBondContact O-N 3.19Å
36	P	54.3	Low	61	Low	74 Å²	74	119.2 Å²	119.2	48%	0.481	63%	0.633	S	S	.	*			trans	-53.6	137.5	-174.3	21.3	-31.7	0	0	0	106.8	T38 W39	P36-T38 CarbonylContact O-C 3.46Å; P36-T38 PolarHBondContact O-N 2.76Å; P36-W39 HydrophobicContact CG-CB 4.44Å; P36-W39 PolarHBondContact O-N 3Å
37	H	59.5	Low	63.5	Low	135 Å²	135	115.8 Å²	115.8	63%	0.625	62%	0.618	S	S	*	*	H	α-helix	trans	-44.3	-30.1	-175.4	-177.9	-99.7	0	0	0	113	P35 Q41	P35-H37 PolarHBondContact O-N 3.19Å; H37-Q41 PolarHBondContact CE1-NE2 3.5Å; H37-Q41 VanDerWaalsContact ND1-CD 3.29Å; H37-Q41 PolarHBondContact ND1-OE1 3.31Å; H37-Q41 WeakPolarHBondContact O-CB 3.45Å; H37-Q41 VanDerWaalsContact O-CG 3.3Å; H37-Q41 WeakPolarHBondContact O-CG 3.41Å; H37-Q41 PolarHBondContact O-N 3.04Å
38	T	61	Low	66.1	Low	74 Å²	74	112.2 Å²	112.2	45%	0.454	61%	0.607	S	S	.	*	H	α-helix	trans	-61.6	-34.7	174.1	57.4	0	0	0	0	115.3	P36 R42	P36-T38 CarbonylContact O-C 3.46Å; P36-T38 PolarHBondContact O-N 2.76Å; T38-R42 WeakPolarHBondContact O-CB 3.2Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.22Å
39	W	61.6	Low	68.9	Low	181 Å²	181	113.3 Å²	113.3	69%	0.686	60%	0.595	S	S	*	*	H	α-helix	trans	-72.9	-42.3	177.6	-117.9	82.6	0	0	0	112	P36 Q41 R42 A43	P36-W39 HydrophobicContact CG-CB 4.44Å; P36-W39 PolarHBondContact O-N 3Å; W39-Q41 VanDerWaalsContact C-N 3.35Å; W39-R42 PolarHBondContact O-N 3.46Å; W39-A43 PolarHBondContact O-N 2.97Å
40	R	75.4	Confident	71	Confident	185 Å²	185	109.7 Å²	109.7	70%	0.698	58%	0.582	S	S	*	*	H	α-helix	trans	-66.7	-38.6	176.2	-158.2	176.9	-176.6	-137.7	1.6	111.2	L44	R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.93Å; R40-L44 VanDerWaalsContact O-N 3.13Å
41	Q	77.6	Confident	73.6	Confident	98 Å²	98	104 Å²	104	46%	0.458	56%	0.564	S	S	.	*	H	α-helix	trans	-65.2	-44.2	172.6	-76.3	-177.7	-43.6	0	0	112.7	H37 W39 A43 L44 V45	H37-Q41 PolarHBondContact CE1-NE2 3.5Å; H37-Q41 VanDerWaalsContact ND1-CD 3.29Å; H37-Q41 PolarHBondContact ND1-OE1 3.31Å; H37-Q41 WeakPolarHBondContact O-CB 3.45Å; H37-Q41 VanDerWaalsContact O-CG 3.3Å; H37-Q41 WeakPolarHBondContact O-CG 3.41Å; H37-Q41 PolarHBondContact O-N 3.04Å; W39-Q41 VanDerWaalsContact C-N 3.35Å; Q41-A43 PolarHBondContact O-N 3.43Å; Q41-L44 PolarHBondContact O-N 3.02Å; Q41-V45 WeakPolarHBondContact O-CG2 3.33Å; Q41-V45 PolarHBondContact O-N 3.5Å
42	R	82.9	Confident	76.1	Confident	168 Å²	168	104.6 Å²	104.6	63%	0.634	56%	0.563	S	S	*	*	H	α-helix	trans	-61.2	-42.1	176.4	-77.8	172.9	-176.9	-172.2	1.2	112.4	T38 W39 V45 L46	T38-R42 WeakPolarHBondContact O-CB 3.2Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.22Å; W39-R42 PolarHBondContact O-N 3.46Å; R42-V45 PolarHBondContact O-N 3Å; R42-L46 WeakPolarHBondContact O-CB 3.3Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.37Å
43	A	86.2	Confident	77.9	Confident	48 Å²	48	104.8 Å²	104.8	40%	0.397	56%	0.558	S	S	.	*	H	α-helix	trans	-62.1	-44.2	176.3	0	0	0	0	0	112	W39 Q41 V45 L46 T47	W39-A43 PolarHBondContact O-N 2.97Å; Q41-A43 PolarHBondContact O-N 3.43Å; A43-V45 PolarHBondContact O-N 3.37Å; A43-L46 PolarHBondContact O-N 3.49Å; A43-T47 WeakPolarHBondContact O-CG2 3.36Å; A43-T47 PolarHBondContact O-N 3.33Å; A43-T47 PolarHBondContact O-OG1 3.35Å
44	L	86.1	Confident	79.9	Confident	103 Å²	103	105.1 Å²	105.1	54%	0.539	55%	0.553	S	S	.	*	H	α-helix	trans	-62.8	-42.6	177.4	-74.2	168.7	0	0	0	112.5	R40 Q41 T47 L48	R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.93Å; R40-L44 VanDerWaalsContact O-N 3.13Å; Q41-L44 PolarHBondContact O-N 3.02Å; L44-T47 WeakPolarHBondContact CA-OG1 3.46Å; L44-T47 PolarHBondContact O-N 3.3Å; L44-T47 PolarHBondContact O-OG1 3.01Å; L44-L48 WeakPolarHBondContact O-CG 3.34Å; L44-L48 PolarHBondContact O-N 3.47Å
45	V	90.1	Very high	81.8	Confident	83 Å²	83	106.3 Å²	106.3	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.5	172.2	0	0	0	0	111	Q41 R42 A43 L48 L49	Q41-V45 WeakPolarHBondContact O-CG2 3.33Å; Q41-V45 PolarHBondContact O-N 3.5Å; R42-V45 PolarHBondContact O-N 3Å; A43-V45 PolarHBondContact O-N 3.37Å; V45-L48 PolarHBondContact O-N 2.94Å; V45-L49 HydrophobicContact CG1-CD1 4.05Å; V45-L49 WeakPolarHBondContact O-CG 3.43Å; V45-L49 PolarHBondContact O-N 3.42Å
46	L	89.9	Confident	83.7	Confident	108 Å²	108	103.6 Å²	103.6	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-42.5	175.9	-75.8	165.9	0	0	0	112.1	R42 A43 L48 L49 C50	R42-L46 WeakPolarHBondContact O-CB 3.3Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.37Å; A43-L46 PolarHBondContact O-N 3.49Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.35Å; L46-L49 PolarHBondContact O-N 3.32Å; L46-C50 PolarHBondContact O-N 3.24Å; L46-C50 PolarHBondContact O-SG 2.97Å; L46-C50 VanDerWaalsContact O-SG 3.42Å
47	T	90.3	Very high	85.6	Confident	78 Å²	78	105.5 Å²	105.5	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-63.2	-40.8	176.8	51.2	0	0	0	0	112.2	A43 L44 C50 V51	A43-T47 WeakPolarHBondContact O-CG2 3.36Å; A43-T47 PolarHBondContact O-N 3.33Å; A43-T47 PolarHBondContact O-OG1 3.35Å; L44-T47 WeakPolarHBondContact CA-OG1 3.46Å; L44-T47 PolarHBondContact O-N 3.3Å; L44-T47 PolarHBondContact O-OG1 3.01Å; T47-C50 PolarHBondContact O-N 3.13Å; T47-V51 VanDerWaalsContact O-CG2 3.32Å; T47-V51 WeakPolarHBondContact O-CG2 3.31Å; T47-V51 PolarHBondContact O-N 3.45Å
48	L	91.7	Very high	87.3	Confident	114 Å²	114	101.6 Å²	101.6	60%	0.597	54%	0.537	S	S	*	.	H	α-helix	trans	-64.7	-43	176.2	-77.3	166.1	0	0	0	111.7	L44 V45 L46 C50 V51 L52	L44-L48 WeakPolarHBondContact O-CG 3.34Å; L44-L48 PolarHBondContact O-N 3.47Å; V45-L48 PolarHBondContact O-N 2.94Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.35Å; L48-C50 PolarHBondContact O-N 2.97Å; L48-V51 PolarHBondContact O-N 2.93Å; L48-L52 WeakPolarHBondContact O-CG 3.28Å; L48-L52 PolarHBondContact O-N 2.88Å
49	L	93.7	Very high	88.9	Confident	92 Å²	92	102.1 Å²	102.1	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-60	-45	174.8	-76.6	167.1	0	0	0	111.8	V45 L46 V51 L52 L53	V45-L49 HydrophobicContact CG1-CD1 4.05Å; V45-L49 WeakPolarHBondContact O-CG 3.43Å; V45-L49 PolarHBondContact O-N 3.42Å; L46-L49 PolarHBondContact O-N 3.32Å; L49-V51 PolarHBondContact O-N 2.75Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.31Å; L49-L53 PolarHBondContact O-N 2.94Å
50	C	94.2	Very high	90.5	Very high	73 Å²	73	99 Å²	99	49%	0.493	54%	0.536	S	S	.	.	H	α-helix	trans	-61.6	-43.1	176.1	-74	0	0	0	0	112.3	L46 T47 L48 L53 L54	L46-C50 PolarHBondContact O-N 3.24Å; L46-C50 PolarHBondContact O-SG 2.97Å; L46-C50 VanDerWaalsContact O-SG 3.42Å; T47-C50 PolarHBondContact O-N 3.13Å; L48-C50 PolarHBondContact O-N 2.97Å; C50-L53 PolarHBondContact O-N 3.25Å; C50-L54 WeakPolarHBondContact O-CG 3.35Å; C50-L54 PolarHBondContact O-N 3.46Å
51	V	94.4	Very high	91.4	Very high	77 Å²	77	91.7 Å²	91.7	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-44.2	177.5	171	0	0	0	0	110.9	T47 L48 L49 L53 L54 I55	T47-V51 VanDerWaalsContact O-CG2 3.32Å; T47-V51 WeakPolarHBondContact O-CG2 3.31Å; T47-V51 PolarHBondContact O-N 3.45Å; L48-V51 PolarHBondContact O-N 2.93Å; L49-V51 PolarHBondContact O-N 2.75Å; V51-L53 VanDerWaalsContact C-N 3.32Å; V51-L53 PolarHBondContact O-N 3.27Å; V51-L54 PolarHBondContact O-N 2.97Å; V51-I55 HydrophobicContact CG1-CD1 3.84Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.49Å; V51-I55 PolarHBondContact O-N 3.42Å
52	L	93.3	Very high	92.2	Very high	116 Å²	116	89 Å²	89	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-61.8	-39.4	176.4	-70.9	172.3	0	0	0	112.2	L48 L49 I55 G56	L48-L52 WeakPolarHBondContact O-CG 3.28Å; L48-L52 PolarHBondContact O-N 2.88Å; L49-L52 PolarHBondContact O-N 3.42Å; L52-I55 PolarHBondContact O-N 3.3Å; L52-G56 PolarHBondContact O-N 2.95Å
53	L	94.1	Very high	92.8	Very high	116 Å²	116	85.1 Å²	85.1	61%	0.607	51%	0.507	S	S	*	.	H	α-helix	trans	-64.5	-43.6	174.7	-73.3	170.4	0	0	0	112	L49 C50 V51 I55 G56 L57	L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.31Å; L49-L53 PolarHBondContact O-N 2.94Å; C50-L53 PolarHBondContact O-N 3.25Å; V51-L53 VanDerWaalsContact C-N 3.32Å; V51-L53 PolarHBondContact O-N 3.27Å; L53-I55 VanDerWaalsContact C-N 3.34Å; L53-I55 PolarHBondContact O-N 3.48Å; L53-G56 PolarHBondContact O-N 2.95Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.34Å; L53-L57 PolarHBondContact O-N 3.43Å
54	L	93.9	Very high	93.1	Very high	121 Å²	121	87.9 Å²	87.9	63%	0.634	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-40.3	177.3	-71.6	172.9	0	0	0	112	C50 V51 L57 G58	C50-L54 WeakPolarHBondContact O-CG 3.35Å; C50-L54 PolarHBondContact O-N 3.46Å; V51-L54 PolarHBondContact O-N 2.97Å; L54-L57 PolarHBondContact O-N 2.83Å; L54-G58 PolarHBondContact O-N 3.49Å
55	I	93.4	Very high	93.5	Very high	101 Å²	101	87.6 Å²	87.6	52%	0.518	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-46.9	174.5	-66.3	165.2	0	0	0	110.1	V51 L52 L53 L57 G58 V59	V51-I55 HydrophobicContact CG1-CD1 3.84Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.49Å; V51-I55 PolarHBondContact O-N 3.42Å; L52-I55 PolarHBondContact O-N 3.3Å; L53-I55 VanDerWaalsContact C-N 3.34Å; L53-I55 PolarHBondContact O-N 3.48Å; I55-L57 VanDerWaalsContact C-N 3.33Å; I55-L57 PolarHBondContact O-N 2.96Å; I55-G58 PolarHBondContact O-N 3.35Å; I55-V59 HydrophobicContact CG2-CG2 4.5Å; I55-V59 WeakPolarHBondContact O-CG2 3.32Å; I55-V59 PolarHBondContact O-N 2.96Å
56	G	93.9	Very high	93.7	Very high	31 Å²	31	88.8 Å²	88.8	32%	0.32	52%	0.517	S	S	.	.	H	α-helix	trans	-57.4	-44.7	176.5	0	0	0	0	0	112.6	L52 L53 V59 L60	L52-G56 PolarHBondContact O-N 2.95Å; L53-G56 PolarHBondContact O-N 2.95Å; G56-V59 PolarHBondContact O-N 2.98Å; G56-L60 WeakPolarHBondContact O-CB 3.29Å; G56-L60 VanDerWaalsContact O-CG 3.28Å; G56-L60 WeakPolarHBondContact O-CG 3.34Å; G56-L60 PolarHBondContact O-N 3.45Å
57	L	94.6	Very high	94	Very high	114 Å²	114	90.6 Å²	90.6	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-40	176.2	-71.9	171.5	0	0	0	112.4	L53 L54 I55 L60 G61	L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.34Å; L53-L57 PolarHBondContact O-N 3.43Å; L54-L57 PolarHBondContact O-N 2.83Å; I55-L57 VanDerWaalsContact C-N 3.33Å; I55-L57 PolarHBondContact O-N 2.96Å; L57-L60 PolarHBondContact O-N 3.21Å; L57-G61 PolarHBondContact O-N 3.41Å
58	G	95.1	Very high	94.1	Very high	52 Å²	52	91.1 Å²	91.1	54%	0.536	52%	0.52	S	S	.	.	H	α-helix	trans	-62.7	-44.7	176.2	0	0	0	0	0	112.5	L54 I55 G61 G62	L54-G58 PolarHBondContact O-N 3.49Å; I55-G58 PolarHBondContact O-N 3.35Å; G58-G61 PolarHBondContact O-N 2.9Å; G58-G62 PolarHBondContact O-N 3.28Å
59	V	94.6	Very high	94.2	Very high	85 Å²	85	90.6 Å²	90.6	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-46.6	176.8	174.4	0	0	0	0	111.1	I55 G56 G61 G62 I63	I55-V59 HydrophobicContact CG2-CG2 4.5Å; I55-V59 WeakPolarHBondContact O-CG2 3.32Å; I55-V59 PolarHBondContact O-N 2.96Å; G56-V59 PolarHBondContact O-N 2.98Å; V59-G61 VanDerWaalsContact C-N 3.33Å; V59-G61 PolarHBondContact O-N 2.69Å; V59-G62 PolarHBondContact O-N 2.9Å; V59-I63 HydrophobicContact CG1-CD1 3.91Å; V59-I63 WeakPolarHBondContact O-CG1 3.5Å; V59-I63 PolarHBondContact O-N 3.48Å
60	L	94.6	Very high	94.3	Very high	117 Å²	117	92.4 Å²	92.4	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-42.5	176.6	-74.4	168.4	0	0	0	111.8	G56 L57 I63 L64	G56-L60 WeakPolarHBondContact O-CB 3.29Å; G56-L60 VanDerWaalsContact O-CG 3.28Å; G56-L60 WeakPolarHBondContact O-CG 3.34Å; G56-L60 PolarHBondContact O-N 3.45Å; L57-L60 PolarHBondContact O-N 3.21Å; L60-I63 PolarHBondContact O-N 3.32Å; L60-L64 WeakPolarHBondContact O-CB 3.23Å; L60-L64 PolarHBondContact O-N 3.06Å
61	G	95.6	Very high	94.3	Very high	30 Å²	30	94.5 Å²	94.5	31%	0.309	53%	0.527	S	S	.	.	H	α-helix	trans	-61.2	-45.6	174.9	0	0	0	0	0	112.2	L57 G58 V59 L64 V65	L57-G61 PolarHBondContact O-N 3.41Å; G58-G61 PolarHBondContact O-N 2.9Å; V59-G61 VanDerWaalsContact C-N 3.33Å; V59-G61 PolarHBondContact O-N 2.69Å; G61-L64 WeakPolarHBondContact O-CB 3.44Å; G61-L64 PolarHBondContact O-N 2.89Å; G61-V65 VanDerWaalsContact O-CG2 3.29Å; G61-V65 WeakPolarHBondContact O-CG2 3.39Å; G61-V65 PolarHBondContact O-N 3.48Å
62	G	94.2	Very high	94.2	Very high	41 Å²	41	96.5 Å²	96.5	42%	0.423	53%	0.532	S	S	.	.	H	α-helix	trans	-60.2	-46.3	176.4	0	0	0	0	0	112.9	G58 V59 L64 V65 E66	G58-G62 PolarHBondContact O-N 3.28Å; V59-G62 PolarHBondContact O-N 2.9Å; G62-L64 VanDerWaalsContact C-N 3.31Å; G62-L64 PolarHBondContact O-N 3.27Å; G62-V65 PolarHBondContact O-N 2.93Å; G62-E66 PolarHBondContact O-N 2.89Å
63	I	94.3	Very high	94.3	Very high	87 Å²	87	95.5 Å²	95.5	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-40.8	176.3	-66.8	167.5	0	0	0	110.9	V59 L60 K67	V59-I63 HydrophobicContact CG1-CD1 3.91Å; V59-I63 WeakPolarHBondContact O-CG1 3.5Å; V59-I63 PolarHBondContact O-N 3.48Å; L60-I63 PolarHBondContact O-N 3.32Å; I63-K67 WeakPolarHBondContact O-CB 3.36Å; I63-K67 PolarHBondContact O-N 2.96Å
64	L	94.3	Very high	94.3	Very high	107 Å²	107	96.1 Å²	96.1	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-64.4	-47.3	177.9	-174.2	69.3	0	0	0	111	L60 G61 G62 E66 K67 L68	L60-L64 WeakPolarHBondContact O-CB 3.23Å; L60-L64 PolarHBondContact O-N 3.06Å; G61-L64 WeakPolarHBondContact O-CB 3.44Å; G61-L64 PolarHBondContact O-N 2.89Å; G62-L64 VanDerWaalsContact C-N 3.31Å; G62-L64 PolarHBondContact O-N 3.27Å; L64-E66 PolarHBondContact O-N 3.33Å; L64-K67 PolarHBondContact O-N 3.43Å; L64-L68 HydrophobicContact CG-CD1 4.05Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 WeakPolarHBondContact O-CB 3.5Å; L64-L68 VanDerWaalsContact O-CG 3.23Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 2.83Å
65	V	94.4	Very high	94.3	Very high	96 Å²	96	94.8 Å²	94.8	58%	0.582	52%	0.518	S	S	*	.	H	α-helix	trans	-61.7	-43.6	178.5	170.7	0	0	0	0	111.2	G61 G62 K67 L68 N69	G61-V65 VanDerWaalsContact O-CG2 3.29Å; G61-V65 WeakPolarHBondContact O-CG2 3.39Å; G61-V65 PolarHBondContact O-N 3.48Å; G62-V65 PolarHBondContact O-N 2.93Å; V65-K67 PolarHBondContact O-N 2.99Å; V65-L68 PolarHBondContact O-N 3.05Å; V65-N69 WeakPolarHBondContact O-CB 3.49Å; V65-N69 PolarHBondContact O-N 3.38Å
66	E	94.1	Very high	94.4	Very high	108 Å²	108	96.2 Å²	96.2	51%	0.505	52%	0.523	S	S	.	.	H	α-helix	trans	-61.9	-44.7	177.7	-167.1	-165.5	151	0	0	111.7	G62 L64 N69 K70	G62-E66 PolarHBondContact O-N 2.89Å; L64-E66 PolarHBondContact O-N 3.33Å; E66-N69 PolarHBondContact O-N 3.24Å; E66-K70 PolarHBondContact O-N 3.23Å; E66-K70 WeakPolarHBondContact OE1-CE 3.46Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 3.47Å
67	K	94.7	Very high	94.5	Very high	146 Å²	146	99.7 Å²	99.7	64%	0.635	53%	0.531	S	S	*	.	H	α-helix	trans	-62.9	-41.3	175.8	-80.6	-169.7	174.8	-171.9	0	112.1	I63 L64 V65 K70 L71	I63-K67 WeakPolarHBondContact O-CB 3.36Å; I63-K67 PolarHBondContact O-N 2.96Å; L64-K67 PolarHBondContact O-N 3.43Å; V65-K67 PolarHBondContact O-N 2.99Å; K67-K70 PolarHBondContact O-N 3.46Å; K67-L71 WeakPolarHBondContact O-CB 3.45Å; K67-L71 PolarHBondContact O-N 3.49Å
68	L	93.4	Very high	94.5	Very high	89 Å²	89	98.3 Å²	98.3	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-44.6	177.4	-72.7	171.7	0	0	0	111.4	L64 V65 K70 L71 Q72	L64-L68 HydrophobicContact CG-CD1 4.05Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 WeakPolarHBondContact O-CB 3.5Å; L64-L68 VanDerWaalsContact O-CG 3.23Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 2.83Å; V65-L68 PolarHBondContact O-N 3.05Å; L68-K70 PolarHBondContact O-N 2.89Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-Q72 WeakPolarHBondContact O-CG 3.29Å; L68-Q72 PolarHBondContact O-N 3.41Å
69	N	93.6	Very high	94.5	Very high	104 Å²	104	102.1 Å²	102.1	56%	0.556	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-42	178.1	-170.4	44.7	0	0	0	112.1	V65 E66 L71 Q72 N73	V65-N69 WeakPolarHBondContact O-CB 3.49Å; V65-N69 PolarHBondContact O-N 3.38Å; E66-N69 PolarHBondContact O-N 3.24Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.02Å; N69-Q72 PolarHBondContact O-N 2.9Å; N69-N73 WeakPolarHBondContact O-CB 3.24Å; N69-N73 PolarHBondContact O-N 3.49Å
70	K	94.9	Very high	94.5	Very high	129 Å²	129	106.6 Å²	106.6	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-60	-43.2	173.6	-81.6	173.8	172.5	162.5	0	112	E66 K67 L68 F74	E66-K70 PolarHBondContact O-N 3.23Å; E66-K70 WeakPolarHBondContact OE1-CE 3.46Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 3.47Å; K67-K70 PolarHBondContact O-N 3.46Å; L68-K70 PolarHBondContact O-N 2.89Å; K70-F74 WeakPolarHBondContact O-CB 3.24Å; K70-F74 PolarHBondContact O-N 3.02Å
71	L	94.1	Very high	94.4	Very high	117 Å²	117	105.2 Å²	105.2	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-67	-41.4	178.9	-170.9	70.7	0	0	0	111.8	K67 L68 N69 F74 N75	K67-L71 WeakPolarHBondContact O-CB 3.45Å; K67-L71 PolarHBondContact O-N 3.49Å; L68-L71 PolarHBondContact O-N 3.48Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.02Å; L71-F74 PolarHBondContact O-N 2.91Å; L71-N75 WeakPolarHBondContact O-CB 3.43Å; L71-N75 PolarHBondContact O-N 2.87Å
72	Q	93.9	Very high	94.5	Very high	120 Å²	120	107.7 Å²	107.7	56%	0.561	54%	0.537	S	S	*	.	H	α-helix	trans	-61.9	-49.3	175.8	-77.2	178.2	-44.5	0	0	111.6	L68 N69 F74 N75 E76	L68-Q72 WeakPolarHBondContact O-CG 3.29Å; L68-Q72 PolarHBondContact O-N 3.41Å; N69-Q72 PolarHBondContact O-N 2.9Å; Q72-F74 VanDerWaalsContact C-N 3.33Å; Q72-F74 PolarHBondContact O-N 3.39Å; Q72-N75 PolarHBondContact O-N 3.47Å; Q72-N75 VanDerWaalsContact O-N 3.12Å; Q72-E76 WeakPolarHBondContact O-CG 3.47Å; Q72-E76 PolarHBondContact O-N 3.39Å
73	N	94.4	Very high	94.6	Very high	95 Å²	95	108.8 Å²	108.8	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-60.1	-42.3	178.2	-176	62.7	0	0	0	112	N69 N75 E76 E77	N69-N73 WeakPolarHBondContact O-CB 3.24Å; N69-N73 PolarHBondContact O-N 3.49Å; N73-N75 VanDerWaalsContact C-N 3.34Å; N73-N75 PolarHBondContact O-N 3.12Å; N73-E76 PolarHBondContact O-N 3.46Å; N73-E77 WeakPolarHBondContact O-CB 3.5Å; N73-E77 PolarHBondContact O-N 2.91Å
74	F	94.3	Very high	94.7	Very high	129 Å²	129	109.3 Å²	109.3	57%	0.566	54%	0.541	S	S	*	.	H	α-helix	trans	-61.9	-41.9	175.2	-179	-98.1	0	0	0	112.1	K70 L71 Q72 L78	K70-F74 WeakPolarHBondContact O-CB 3.24Å; K70-F74 PolarHBondContact O-N 3.02Å; L71-F74 PolarHBondContact O-N 2.91Å; Q72-F74 VanDerWaalsContact C-N 3.33Å; Q72-F74 PolarHBondContact O-N 3.39Å; F74-L78 HydrophobicContact CE1-CD2 4.3Å; F74-L78 VanDerWaalsContact O-CB 3.24Å; F74-L78 WeakPolarHBondContact O-CB 3.47Å; F74-L78 PolarHBondContact O-N 3.29Å
75	N	94	Very high	94.8	Very high	92 Å²	92	109.1 Å²	109.1	49%	0.492	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-41.5	178.1	-169.4	45.8	0	0	0	112	L71 Q72 N73 L78 Q79	L71-N75 WeakPolarHBondContact O-CB 3.43Å; L71-N75 PolarHBondContact O-N 2.87Å; Q72-N75 PolarHBondContact O-N 3.47Å; Q72-N75 VanDerWaalsContact O-N 3.12Å; N73-N75 VanDerWaalsContact C-N 3.34Å; N73-N75 PolarHBondContact O-N 3.12Å; N75-L78 PolarHBondContact O-N 2.93Å; N75-Q79 VanDerWaalsContact O-CB 3.24Å; N75-Q79 WeakPolarHBondContact O-CB 3.36Å; N75-Q79 PolarHBondContact O-N 2.99Å
76	E	95.7	Very high	94.8	Very high	131 Å²	131	108.2 Å²	108.2	61%	0.612	53%	0.532	S	S	*	.	H	α-helix	trans	-64.7	-43.5	176.1	-72.8	-178.3	-179.1	0	0	112.2	Q72 N73 Q79 R80	Q72-E76 WeakPolarHBondContact O-CG 3.47Å; Q72-E76 PolarHBondContact O-N 3.39Å; N73-E76 PolarHBondContact O-N 3.46Å; E76-Q79 PolarHBondContact O-N 3.47Å; E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 PolarHBondContact O-N 2.92Å
77	E	94.9	Very high	94.9	Very high	105 Å²	105	107 Å²	107	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-63.4	-45.6	176.2	-173.4	176.6	-179.2	0	0	111.4	N73 Q79 R80 N81	N73-E77 WeakPolarHBondContact O-CB 3.5Å; N73-E77 PolarHBondContact O-N 2.91Å; E77-Q79 PolarHBondContact O-N 2.93Å; E77-R80 PolarHBondContact O-N 2.97Å; E77-N81 VanDerWaalsContact O-CG 3.29Å; E77-N81 PolarHBondContact O-N 3.41Å; E77-N81 PolarHBondContact O-ND2 3.06Å
78	L	94.7	Very high	94.9	Very high	84 Å²	84	105.3 Å²	105.3	44%	0.44	52%	0.522	S	S	.	.	H	α-helix	trans	-60.4	-47.1	175.9	-176.6	64.6	0	0	0	110.9	F74 N75 R80 N81 V82	F74-L78 HydrophobicContact CE1-CD2 4.3Å; F74-L78 VanDerWaalsContact O-CB 3.24Å; F74-L78 WeakPolarHBondContact O-CB 3.47Å; F74-L78 PolarHBondContact O-N 3.29Å; N75-L78 PolarHBondContact O-N 2.93Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.9Å; L78-N81 PolarHBondContact O-N 3.29Å; L78-V82 HydrophobicContact CD1-CG2 4.42Å; L78-V82 WeakPolarHBondContact O-CB 3.29Å; L78-V82 VanDerWaalsContact O-CG2 3.28Å; L78-V82 WeakPolarHBondContact O-CG2 3.37Å; L78-V82 PolarHBondContact O-N 3.41Å
79	Q	94.9	Very high	94.9	Very high	132 Å²	132	104.7 Å²	104.7	62%	0.617	52%	0.52	S	S	*	.	H	α-helix	trans	-62.5	-38.5	178.9	-172.9	175.1	-32.1	0	0	111.7	N75 E76 E77 S83	N75-Q79 VanDerWaalsContact O-CB 3.24Å; N75-Q79 WeakPolarHBondContact O-CB 3.36Å; N75-Q79 PolarHBondContact O-N 2.99Å; E76-Q79 PolarHBondContact O-N 3.47Å; E77-Q79 PolarHBondContact O-N 2.93Å; Q79-S83 VanDerWaalsContact O-CB 3.29Å; Q79-S83 WeakPolarHBondContact O-CB 3.43Å; Q79-S83 PolarHBondContact O-N 3.48Å
80	R	95.3	Very high	94.9	Very high	180 Å²	180	105.9 Å²	105.9	68%	0.679	52%	0.523	S	S	*	.	H	α-helix	trans	-64.5	-46.7	175.2	-174.2	-179.2	-178.1	173.2	0.5	111.8	E76 E77 L78 S83 L84	E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 PolarHBondContact O-N 2.92Å; E77-R80 PolarHBondContact O-N 2.97Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.9Å; R80-S83 PolarHBondContact O-N 2.89Å; R80-L84 HydrophobicContact CG-CD1 4.41Å; R80-L84 WeakPolarHBondContact O-CG 3.5Å; R80-L84 PolarHBondContact O-N 3.4Å
81	N	93.6	Very high	94.9	Very high	88 Å²	88	104.4 Å²	104.4	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-42.5	179.9	-69.8	-15.7	0	0	0	111.4	E77 L78 L84 Q85	E77-N81 VanDerWaalsContact O-CG 3.29Å; E77-N81 PolarHBondContact O-N 3.41Å; E77-N81 PolarHBondContact O-ND2 3.06Å; L78-N81 PolarHBondContact O-N 3.29Å; N81-L84 PolarHBondContact O-N 2.95Å; N81-Q85 WeakPolarHBondContact O-CB 3.47Å; N81-Q85 PolarHBondContact O-N 3.34Å
82	V	96.6	Very high	95	Very high	82 Å²	82	100.8 Å²	100.8	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-44.4	174.4	171.6	0	0	0	0	110.9	L78 L84 Q85 V86	L78-V82 HydrophobicContact CD1-CG2 4.42Å; L78-V82 WeakPolarHBondContact O-CB 3.29Å; L78-V82 VanDerWaalsContact O-CG2 3.28Å; L78-V82 WeakPolarHBondContact O-CG2 3.37Å; L78-V82 PolarHBondContact O-N 3.41Å; V82-L84 PolarHBondContact O-N 3.29Å; V82-Q85 PolarHBondContact O-N 3.49Å; V82-V86 HydrophobicContact CG1-CG2 4.35Å; V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.47Å; V82-V86 PolarHBondContact O-N 3.49Å
83	S	96.7	Very high	95	Very high	63 Å²	63	98 Å²	98	44%	0.441	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-44.8	177.6	-177.3	0	0	0	0	112.3	Q79 R80 Q85 V86 I87	Q79-S83 VanDerWaalsContact O-CB 3.29Å; Q79-S83 WeakPolarHBondContact O-CB 3.43Å; Q79-S83 PolarHBondContact O-N 3.48Å; R80-S83 PolarHBondContact O-N 2.89Å; S83-Q85 VanDerWaalsContact C-N 3.35Å; S83-Q85 PolarHBondContact O-N 2.92Å; S83-V86 PolarHBondContact O-N 3.39Å; S83-I87 VanDerWaalsContact O-CG1 3.31Å; S83-I87 WeakPolarHBondContact O-CG1 3.29Å; S83-I87 PolarHBondContact O-N 2.97Å
84	L	96.3	Very high	95.1	Very high	99 Å²	99	100.2 Å²	100.2	52%	0.518	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-42	176.1	-73.1	175.5	0	0	0	112.1	R80 N81 V82 I87 H88	R80-L84 HydrophobicContact CG-CD1 4.41Å; R80-L84 WeakPolarHBondContact O-CG 3.5Å; R80-L84 PolarHBondContact O-N 3.4Å; N81-L84 PolarHBondContact O-N 2.95Å; V82-L84 PolarHBondContact O-N 3.29Å; L84-I87 PolarHBondContact O-N 3.09Å; L84-H88 WeakPolarHBondContact O-CB 3.49Å; L84-H88 PolarHBondContact O-N 3.42Å
85	Q	95.2	Very high	95.2	Very high	103 Å²	103	101.6 Å²	101.6	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-47	175.7	-175.7	62.4	29.4	0	0	111.3	N81 V82 S83 I87 H88 D89	N81-Q85 WeakPolarHBondContact O-CB 3.47Å; N81-Q85 PolarHBondContact O-N 3.34Å; V82-Q85 PolarHBondContact O-N 3.49Å; S83-Q85 VanDerWaalsContact C-N 3.35Å; S83-Q85 PolarHBondContact O-N 2.92Å; Q85-I87 VanDerWaalsContact C-N 3.34Å; Q85-I87 PolarHBondContact O-N 2.92Å; Q85-H88 WeakPolarHBondContact O-CB 3.31Å; Q85-H88 PolarHBondContact O-N 3.5Å; Q85-D89 PolarHBondContact NE2-OD1 2.95Å; Q85-D89 VanDerWaalsContact NE2-OD1 3.09Å; Q85-D89 PolarHBondContact NE2-OD2 3.2Å; Q85-D89 WeakPolarHBondContact O-CB 3.42Å; Q85-D89 VanDerWaalsContact O-CG 3.23Å; Q85-D89 PolarHBondContact O-N 3.38Å
86	V	96.3	Very high	95.2	Very high	76 Å²	76	102.9 Å²	102.9	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-59	-44.3	177.6	170	0	0	0	0	111.3	V82 S83 H88 D89 M90	V82-V86 HydrophobicContact CG1-CG2 4.35Å; V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.47Å; V82-V86 PolarHBondContact O-N 3.49Å; S83-V86 PolarHBondContact O-N 3.39Å; V86-H88 PolarHBondContact O-N 3.47Å; V86-D89 PolarHBondContact O-N 2.99Å; V86-M90 HydrophobicContact CG1-CG 4.45Å; V86-M90 HydrophobicContact CG1-SD 4.14Å; V86-M90 WeakPolarHBondContact O-CB 3.29Å; V86-M90 VanDerWaalsContact O-CG 3.29Å; V86-M90 WeakPolarHBondContact O-CG 3.48Å; V86-M90 PolarHBondContact O-N 3.27Å
87	I	95.1	Very high	95.1	Very high	84 Å²	84	98.1 Å²	98.1	43%	0.431	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-44	177.7	-68.3	164.8	0	0	0	111.1	S83 L84 Q85 D89 M90 N91	S83-I87 VanDerWaalsContact O-CG1 3.31Å; S83-I87 WeakPolarHBondContact O-CG1 3.29Å; S83-I87 PolarHBondContact O-N 2.97Å; L84-I87 PolarHBondContact O-N 3.09Å; Q85-I87 VanDerWaalsContact C-N 3.34Å; Q85-I87 PolarHBondContact O-N 2.92Å; I87-D89 VanDerWaalsContact C-N 3.34Å; I87-D89 PolarHBondContact O-N 3.32Å; I87-M90 PolarHBondContact O-N 3.45Å; I87-N91 WeakPolarHBondContact O-CB 3.33Å; I87-N91 VanDerWaalsContact O-CG 3.26Å; I87-N91 PolarHBondContact O-N 2.89Å; I87-N91 PolarHBondContact O-ND2 2.88Å
88	H	94.8	Very high	95.1	Very high	109 Å²	109	97.3 Å²	97.3	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-45.1	177	174.8	-85.8	0	0	0	111.6	L84 Q85 V86 N91 S92	L84-H88 WeakPolarHBondContact O-CB 3.49Å; L84-H88 PolarHBondContact O-N 3.42Å; Q85-H88 WeakPolarHBondContact O-CB 3.31Å; Q85-H88 PolarHBondContact O-N 3.5Å; V86-H88 PolarHBondContact O-N 3.47Å; H88-N91 PolarHBondContact O-N 3.43Å; H88-S92 PolarHBondContact CE1-OG 2.98Å; H88-S92 WeakPolarHBondContact O-CB 3.5Å; H88-S92 PolarHBondContact O-N 3.33Å; H88-S92 PolarHBondContact O-OG 2.92Å
89	D	93.6	Very high	95.1	Very high	77 Å²	77	99.1 Å²	99.1	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-68.1	-39.2	-178.5	-65.9	-16.9	0	0	0	111.2	Q85 V86 I87 S92 A93	Q85-D89 PolarHBondContact NE2-OD1 2.95Å; Q85-D89 VanDerWaalsContact NE2-OD1 3.09Å; Q85-D89 PolarHBondContact NE2-OD2 3.2Å; Q85-D89 WeakPolarHBondContact O-CB 3.42Å; Q85-D89 VanDerWaalsContact O-CG 3.23Å; Q85-D89 PolarHBondContact O-N 3.38Å; V86-D89 PolarHBondContact O-N 2.99Å; I87-D89 VanDerWaalsContact C-N 3.34Å; I87-D89 PolarHBondContact O-N 3.32Å; D89-S92 PolarHBondContact O-N 3.46Å; D89-A93 VanDerWaalsContact O-CB 3.32Å; D89-A93 WeakPolarHBondContact O-CB 3.32Å; D89-A93 PolarHBondContact O-N 3.17Å
90	M	94.1	Very high	95	Very high	129 Å²	129	96.4 Å²	96.4	64%	0.635	51%	0.51	S	S	*	.	H	α-helix	trans	-62.5	-43.2	171.9	-72.5	-178.2	108.4	0	0	112.5	V86 I87 S92 A93 K94	V86-M90 HydrophobicContact CG1-CG 4.45Å; V86-M90 HydrophobicContact CG1-SD 4.14Å; V86-M90 WeakPolarHBondContact O-CB 3.29Å; V86-M90 VanDerWaalsContact O-CG 3.29Å; V86-M90 WeakPolarHBondContact O-CG 3.48Å; V86-M90 PolarHBondContact O-N 3.27Å; I87-M90 PolarHBondContact O-N 3.45Å; M90-S92 VanDerWaalsContact C-N 3.35Å; M90-A93 PolarHBondContact O-N 2.91Å; M90-K94 WeakPolarHBondContact O-CB 3.43Å; M90-K94 PolarHBondContact O-N 2.94Å
91	N	94.9	Very high	94.7	Very high	97 Å²	97	92.5 Å²	92.5	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-40.5	177.5	-75.2	-28.5	0	0	0	111.6	I87 H88 K94 K95	I87-N91 WeakPolarHBondContact O-CB 3.33Å; I87-N91 VanDerWaalsContact O-CG 3.26Å; I87-N91 PolarHBondContact O-N 2.89Å; I87-N91 PolarHBondContact O-ND2 2.88Å; H88-N91 PolarHBondContact O-N 3.43Å; N91-K94 PolarHBondContact O-N 3.44Å; N91-K95 WeakPolarHBondContact O-CB 3.41Å; N91-K95 PolarHBondContact O-N 3.38Å
92	S	95.3	Very high	94.6	Very high	42 Å²	42	91.5 Å²	91.5	29%	0.294	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-47.3	175.7	-61.9	0	0	0	0	111.1	H88 D89 M90 K94 K95 I96	H88-S92 PolarHBondContact CE1-OG 2.98Å; H88-S92 WeakPolarHBondContact O-CB 3.5Å; H88-S92 PolarHBondContact O-N 3.33Å; H88-S92 PolarHBondContact O-OG 2.92Å; D89-S92 PolarHBondContact O-N 3.46Å; M90-S92 VanDerWaalsContact C-N 3.35Å; S92-K94 VanDerWaalsContact C-N 3.35Å; S92-K94 PolarHBondContact O-N 3.24Å; S92-K95 WeakPolarHBondContact O-CB 3.4Å; S92-K95 PolarHBondContact O-N 3.44Å; S92-K95 VanDerWaalsContact O-N 3.17Å; S92-I96 WeakPolarHBondContact O-CG1 3.02Å; S92-I96 PolarHBondContact O-N 2.86Å
93	A	95.3	Very high	94.2	Very high	60 Å²	60	92.1 Å²	92.1	50%	0.496	50%	0.499	S	S	.	.	H	α-helix	trans	-60	-43.2	175.8	0	0	0	0	0	112	D89 M90 K95 I96 G97	D89-A93 VanDerWaalsContact O-CB 3.32Å; D89-A93 WeakPolarHBondContact O-CB 3.32Å; D89-A93 PolarHBondContact O-N 3.17Å; M90-A93 PolarHBondContact O-N 2.91Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 3.38Å; A93-I96 PolarHBondContact O-N 2.88Å; A93-G97 PolarHBondContact O-N 3.29Å
94	K	95.7	Very high	93.7	Very high	142 Å²	142	92.3 Å²	92.3	62%	0.617	49%	0.493	S	S	*	.	H	α-helix	trans	-61	-42.7	174.9	-174.9	177.8	-178.7	179.2	0	111.8	M90 N91 S92 G97 N98	M90-K94 WeakPolarHBondContact O-CB 3.43Å; M90-K94 PolarHBondContact O-N 2.94Å; N91-K94 PolarHBondContact O-N 3.44Å; S92-K94 VanDerWaalsContact C-N 3.35Å; S92-K94 PolarHBondContact O-N 3.24Å; K94-G97 PolarHBondContact O-N 3.07Å; K94-N98 WeakPolarHBondContact O-CB 3.32Å; K94-N98 VanDerWaalsContact O-CG 3.24Å; K94-N98 PolarHBondContact O-N 2.69Å; K94-N98 PolarHBondContact O-OD1 3.28Å
95	K	95.5	Very high	93.3	Very high	158 Å²	158	92.4 Å²	92.4	69%	0.687	49%	0.491	S	S	*	.	H	α-helix	trans	-64.3	-43.1	177.4	-172.1	178	-179.7	-178.3	0	111.7	N91 S92 A93 N98 L99	N91-K95 WeakPolarHBondContact O-CB 3.41Å; N91-K95 PolarHBondContact O-N 3.38Å; S92-K95 WeakPolarHBondContact O-CB 3.4Å; S92-K95 PolarHBondContact O-N 3.44Å; S92-K95 VanDerWaalsContact O-N 3.17Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 3.38Å; K95-N98 PolarHBondContact O-N 2.75Å; K95-L99 WeakPolarHBondContact O-CB 3.48Å; K95-L99 PolarHBondContact O-N 3.07Å
96	I	95.1	Very high	92.9	Very high	119 Å²	119	92.3 Å²	92.3	61%	0.61	49%	0.492	S	S	*	.	H	α-helix	trans	-61.8	-45.2	175.5	-68.1	165.1	0	0	0	110.3	S92 A93 N98 L99 S100	S92-I96 WeakPolarHBondContact O-CG1 3.02Å; S92-I96 PolarHBondContact O-N 2.86Å; A93-I96 PolarHBondContact O-N 2.88Å; I96-N98 PolarHBondContact O-N 2.9Å; I96-L99 PolarHBondContact O-N 3.37Å; I96-S100 PolarHBondContact O-N 3.1Å
97	G	93.8	Very high	92.5	Very high	32 Å²	32	89.1 Å²	89.1	33%	0.33	47%	0.474	S	S	.	.	H	α-helix	trans	-58.7	-47.9	175.4	0	0	0	0	0	112.4	A93 K94 L99 S100 I101	A93-G97 PolarHBondContact O-N 3.29Å; K94-G97 PolarHBondContact O-N 3.07Å; G97-L99 VanDerWaalsContact C-N 3.35Å; G97-L99 PolarHBondContact O-N 3.35Å; G97-S100 WeakPolarHBondContact O-CB 3.5Å; G97-S100 PolarHBondContact O-N 3.32Å; G97-I101 WeakPolarHBondContact O-CG1 3.45Å; G97-I101 PolarHBondContact O-N 3.12Å
98	N	94.2	Very high	92	Very high	88 Å²	88	87.2 Å²	87.2	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-60	-44.1	177.1	-71.3	-6.8	0	0	0	111.9	K94 K95 I96 S100 I101 T102	K94-N98 WeakPolarHBondContact O-CB 3.32Å; K94-N98 VanDerWaalsContact O-CG 3.24Å; K94-N98 PolarHBondContact O-N 2.69Å; K94-N98 PolarHBondContact O-OD1 3.28Å; K95-N98 PolarHBondContact O-N 2.75Å; I96-N98 PolarHBondContact O-N 2.9Å; N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.25Å; N98-I101 PolarHBondContact O-N 3.46Å; N98-T102 PolarHBondContact O-N 3.47Å; N98-T102 PolarHBondContact O-OG1 3.3Å; N98-T102 VanDerWaalsContact O-OG1 3.07Å
99	L	95	Very high	91.6	Very high	122 Å²	122	88.7 Å²	88.7	64%	0.639	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-41.4	177.4	-177.1	63.1	0	0	0	111.6	K95 I96 G97 I101 T102 L103	K95-L99 WeakPolarHBondContact O-CB 3.48Å; K95-L99 PolarHBondContact O-N 3.07Å; I96-L99 PolarHBondContact O-N 3.37Å; G97-L99 VanDerWaalsContact C-N 3.35Å; G97-L99 PolarHBondContact O-N 3.35Å; L99-I101 VanDerWaalsContact C-N 3.35Å; L99-I101 PolarHBondContact O-N 3.22Å; L99-T102 PolarHBondContact O-N 2.93Å; L99-L103 WeakPolarHBondContact O-CB 3.42Å; L99-L103 PolarHBondContact O-N 2.95Å
100	S	92.7	Very high	91.3	Very high	75 Å²	75	88.6 Å²	88.6	52%	0.524	47%	0.47	S	S	.	.	H	α-helix	trans	-61.2	-42.2	175.7	-172.5	0	0	0	0	112	I96 G97 N98 L103 Q104	I96-S100 PolarHBondContact O-N 3.1Å; G97-S100 WeakPolarHBondContact O-CB 3.5Å; G97-S100 PolarHBondContact O-N 3.32Å; N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.25Å; S100-L103 PolarHBondContact O-N 3.43Å; S100-Q104 WeakPolarHBondContact O-CB 3.47Å; S100-Q104 PolarHBondContact O-N 3.42Å
101	I	89.6	Confident	90.9	Very high	98 Å²	98	82.4 Å²	82.4	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-48.7	176.9	-67.5	164.1	0	0	0	110	G97 N98 L99 L103 Q104 E105	G97-I101 WeakPolarHBondContact O-CG1 3.45Å; G97-I101 PolarHBondContact O-N 3.12Å; N98-I101 PolarHBondContact O-N 3.46Å; L99-I101 VanDerWaalsContact C-N 3.35Å; L99-I101 PolarHBondContact O-N 3.22Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 3.49Å; I101-Q104 WeakPolarHBondContact O-CB 3.35Å; I101-Q104 PolarHBondContact O-N 2.94Å; I101-E105 WeakPolarHBondContact O-CG 3.4Å; I101-E105 PolarHBondContact O-N 3.32Å
102	T	90.4	Very high	90.4	Very high	67 Å²	67	81.4 Å²	81.4	41%	0.411	43%	0.432	S	S	.	.	H	α-helix	trans	-60.2	-41.2	178.7	-56.3	0	0	0	0	112.1	N98 L99 E105 I106	N98-T102 PolarHBondContact O-N 3.47Å; N98-T102 PolarHBondContact O-OG1 3.3Å; N98-T102 VanDerWaalsContact O-OG1 3.07Å; L99-T102 PolarHBondContact O-N 2.93Å; T102-E105 PolarHBondContact O-N 3.16Å; T102-I106 HydrophobicContact CG2-CD1 4.02Å; T102-I106 WeakPolarHBondContact O-CG1 3.33Å; T102-I106 PolarHBondContact O-N 3.25Å
103	L	89.2	Confident	89.9	Confident	94 Å²	94	84.9 Å²	84.9	49%	0.492	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-43.3	177.1	-173.7	63	0	0	0	111.3	L99 S100 I101 E105 I106 A107 I250	L99-L103 WeakPolarHBondContact O-CB 3.42Å; L99-L103 PolarHBondContact O-N 2.95Å; S100-L103 PolarHBondContact O-N 3.43Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 3.49Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-E105 PolarHBondContact O-N 3.38Å; L103-I106 PolarHBondContact O-N 2.91Å; L103-A107 VanDerWaalsContact O-CB 3.27Å; L103-A107 WeakPolarHBondContact O-CB 2.85Å; L103-A107 PolarHBondContact O-N 3.37Å; L103-I250 HydrophobicContact CD2-CD1 3.78Å; L103-I250 HydrophobicContact CG-CD1 4.22Å
104	Q	86.1	Confident	89.4	Confident	68 Å²	68	83.3 Å²	83.3	32%	0.318	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-41	176.5	-167.8	67.4	19.2	0	0	111.9	S100 I101 A107 T108	S100-Q104 WeakPolarHBondContact O-CB 3.47Å; S100-Q104 PolarHBondContact O-N 3.42Å; I101-Q104 WeakPolarHBondContact O-CB 3.35Å; I101-Q104 PolarHBondContact O-N 2.94Å; Q104-A107 PolarHBondContact O-N 3.14Å; Q104-T108 WeakPolarHBondContact O-CB 3.5Å; Q104-T108 PolarHBondContact O-N 3.43Å; Q104-T108 PolarHBondContact O-OG1 3.15Å
105	E	86.6	Confident	88.6	Confident	101 Å²	101	78.1 Å²	78.1	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-44.5	177	-74.1	178.1	179.6	0	0	112.3	I101 T102 L103 T108 K109	I101-E105 WeakPolarHBondContact O-CG 3.4Å; I101-E105 PolarHBondContact O-N 3.32Å; T102-E105 PolarHBondContact O-N 3.16Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-E105 PolarHBondContact O-N 3.38Å; E105-T108 PolarHBondContact O-N 2.95Å; E105-K109 WeakPolarHBondContact O-CG 3.43Å; E105-K109 PolarHBondContact O-N 3.21Å
106	I	88.2	Confident	87.9	Confident	100 Å²	100	76 Å²	76	51%	0.513	40%	0.404	S	S	.	.	H	α-helix	trans	-64.2	-46.4	177.6	-68.2	168.9	0	0	0	110.1	T102 L103 T108 K109 L110	T102-I106 HydrophobicContact CG2-CD1 4.02Å; T102-I106 WeakPolarHBondContact O-CG1 3.33Å; T102-I106 PolarHBondContact O-N 3.25Å; L103-I106 PolarHBondContact O-N 2.91Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 2.01Å; I106-K109 PolarHBondContact O-N 3.16Å; I106-L110 WeakPolarHBondContact O-CB 3.29Å; I106-L110 PolarHBondContact O-N 3.47Å
107	A	86.9	Confident	87.3	Confident	9 Å²	9	77.3 Å²	77.3	7%	0.074	41%	0.407	C	S	.	.	H	α-helix	trans	-53.7	-50.4	175.1	0	0	0	0	0	110.8	L103 Q104 K109 L110 C111 M248 I253	L103-A107 VanDerWaalsContact O-CB 3.27Å; L103-A107 WeakPolarHBondContact O-CB 2.85Å; L103-A107 PolarHBondContact O-N 3.37Å; Q104-A107 PolarHBondContact O-N 3.14Å; A107-K109 PolarHBondContact O-N 2.9Å; A107-L110 PolarHBondContact O-N 2.66Å; A107-C111 WeakPolarHBondContact O-CB 3.34Å; A107-C111 PolarHBondContact O-N 3.48Å; A107-M248 HydrophobicContact CB-CE 4.29Å; A107-M248 VanDerWaalsContact O-CE 3.29Å; A107-M248 WeakPolarHBondContact O-CE 3.28Å; A107-I253 HydrophobicContact CB-CD1 3.49Å; A107-I253 VanDerWaalsContact CB-CD1 3.49Å
108	T	84.7	Confident	86.8	Confident	45 Å²	45	81.2 Å²	81.2	28%	0.276	42%	0.415	S	S	.	.	H	α-helix	trans	-57.8	-46.9	179.5	-54.6	0	0	0	0	112.3	Q104 E105 I106 C111 H112 W132 M248	Q104-T108 WeakPolarHBondContact O-CB 3.5Å; Q104-T108 PolarHBondContact O-N 3.43Å; Q104-T108 PolarHBondContact O-OG1 3.15Å; E105-T108 PolarHBondContact O-N 2.95Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 2.01Å; T108-C111 PolarHBondContact O-N 2.91Å; T108-H112 PolarHBondContact O-N 3.37Å; T108-W132 HydrophobicContact CG2-CH2 4.3Å; T108-W132 HydrophobicContact CG2-CZ2 3.73Å; T108-W132 WeakPolarHBondContact O-CH2 3.35Å; T108-M248 VanDerWaalsContact CA-SD 3.53Å; T108-M248 HydrophobicContact CG2-SD 4.24Å
109	K	86.1	Confident	85.8	Confident	139 Å²	139	81.1 Å²	81.1	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-61.7	-45.2	177.1	-74	172.8	-178.7	169.7	0	112.2	E105 I106 A107 C111 H112 Q113	E105-K109 WeakPolarHBondContact O-CG 3.43Å; E105-K109 PolarHBondContact O-N 3.21Å; I106-K109 PolarHBondContact O-N 3.16Å; A107-K109 PolarHBondContact O-N 2.9Å; K109-C111 PolarHBondContact O-N 2.84Å; K109-H112 WeakPolarHBondContact O-CB 3.02Å; K109-H112 PolarHBondContact O-N 3.46Å; K109-Q113 PolarHBondContact O-N 3.37Å; K109-Q113 VanDerWaalsContact O-N 3.15Å
110	L	87.4	Confident	84.9	Confident	75 Å²	75	83.4 Å²	83.4	39%	0.393	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-43.1	179.8	-178.7	60.8	0	0	0	111.4	I106 A107 H112 Q113 L114 I253	I106-L110 WeakPolarHBondContact O-CB 3.29Å; I106-L110 PolarHBondContact O-N 3.47Å; A107-L110 PolarHBondContact O-N 2.66Å; L110-H112 VanDerWaalsContact C-N 3.34Å; L110-H112 PolarHBondContact O-N 2.92Å; L110-Q113 WeakPolarHBondContact O-CB 3.27Å; L110-Q113 PolarHBondContact O-N 3.37Å; L110-L114 HydrophobicContact CG-CD1 4.09Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 2.91Å; L110-I253 HydrophobicContact CD2-CG2 3.65Å; L110-I253 HydrophobicContact CG-CG2 4.3Å
111	C	86.3	Confident	84.2	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-65.8	-36.8	177.3	-172.9	0	0	0	0	113.4	A107 T108 K109 Q113 L114 S115 C123 W132 M248	A107-C111 WeakPolarHBondContact O-CB 3.34Å; A107-C111 PolarHBondContact O-N 3.48Å; T108-C111 PolarHBondContact O-N 2.91Å; K109-C111 PolarHBondContact O-N 2.84Å; C111-Q113 VanDerWaalsContact C-N 3.31Å; C111-Q113 PolarHBondContact O-N 3.36Å; C111-L114 PolarHBondContact O-N 2.93Å; C111-S115 WeakPolarHBondContact O-CB 3.42Å; C111-S115 PolarHBondContact O-N 3.18Å; C111-S115 PolarHBondContact O-OG 3.03Å; C111-C123 HydrophobicContact CB-CB 4.09Å; C111-C123 WeakPolarHBondContact CB-SG 3.29Å; C111-C123 VanDerWaalsContact SG-CA 3.59Å; C111-C123 WeakPolarHBondContact SG-CB 3.38Å; C111-C123 PolarHBondContact SG-O 2.87Å; C111-C123 CovalentContact SG-SG 2.01Å; C111-C123 PolarHBondContact SG-SG 3.26Å; C111-W132 HydrophobicContact CB-CH2 4.09Å; C111-W132 HydrophobicContact CB-CZ3 4.39Å; C111-M248 HydrophobicContact CB-CE 3.05Å; C111-M248 HydrophobicContact CB-SD 3.72Å; C111-M248 WeakPolarHBondContact SG-CE 3.49Å
112	H	83.6	Confident	83.6	Confident	76 Å²	76	81 Å²	81	35%	0.352	40%	0.403	S	S	.	.	H	α-helix	trans	-59.2	-45.6	173.4	-169.7	-86.9	0	0	0	110.9	T108 K109 L110 S115 I116 W132	T108-H112 PolarHBondContact O-N 3.37Å; K109-H112 WeakPolarHBondContact O-CB 3.02Å; K109-H112 PolarHBondContact O-N 3.46Å; L110-H112 VanDerWaalsContact C-N 3.34Å; L110-H112 PolarHBondContact O-N 2.92Å; H112-S115 PolarHBondContact O-N 2.98Å; H112-S115 PolarHBondContact O-OG 3.27Å; H112-I116 WeakPolarHBondContact O-CG1 3.48Å; H112-I116 PolarHBondContact O-N 3.07Å; H112-W132 HydrophobicContact CB-CE3 4.5Å; H112-W132 HydrophobicContact CB-CH2 3.63Å; H112-W132 HydrophobicContact CB-CZ2 4.35Å; H112-W132 HydrophobicContact CB-CZ3 3.74Å; H112-W132 AromaticContact CD2-CE3 3.85Å; H112-W132 AromaticContact CD2-CZ3 3.96Å
113	Q	85	Confident	83.1	Confident	114 Å²	114	78 Å²	78	53%	0.533	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-48.4	174.5	-66.8	176.4	-50.3	0	0	111.8	K109 L110 C111 S115 I116 E117	K109-Q113 PolarHBondContact O-N 3.37Å; K109-Q113 VanDerWaalsContact O-N 3.15Å; L110-Q113 WeakPolarHBondContact O-CB 3.27Å; L110-Q113 PolarHBondContact O-N 3.37Å; C111-Q113 VanDerWaalsContact C-N 3.31Å; C111-Q113 PolarHBondContact O-N 3.36Å; Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 3.49Å; Q113-I116 PolarHBondContact O-N 3.12Å; Q113-I116 VanDerWaalsContact O-N 3.15Å; Q113-E117 PolarHBondContact O-N 2.94Å
114	L	84.5	Confident	82.6	Confident	27 Å²	27	78.8 Å²	78.8	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-38.2	179.1	-70.9	168.8	0	0	0	112.6	L110 C111 I116 E117 K118 I253	L110-L114 HydrophobicContact CG-CD1 4.09Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 2.91Å; C111-L114 PolarHBondContact O-N 2.93Å; L114-I116 PolarHBondContact O-N 2.98Å; L114-E117 PolarHBondContact O-N 2.91Å; L114-K118 CarbonylContact O-C 3.51Å; L114-K118 WeakPolarHBondContact O-CA 3.47Å; L114-K118 PolarHBondContact O-N 3.33Å; L114-I253 HydrophobicContact CD1-CG2 4.38Å
115	S	79.4	Confident	82.6	Confident	33 Å²	33	76 Å²	76	23%	0.231	37%	0.372	C	S	.	.	H	α-helix	trans	-66	-26.5	179.1	76.1	0	0	0	0	113.3	C111 H112 Q113	C111-S115 WeakPolarHBondContact O-CB 3.42Å; C111-S115 PolarHBondContact O-N 3.18Å; C111-S115 PolarHBondContact O-OG 3.03Å; H112-S115 PolarHBondContact O-N 2.98Å; H112-S115 PolarHBondContact O-OG 3.27Å; Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 3.49Å
116	I	80.7	Confident	82.8	Confident	115 Å²	115	71.9 Å²	71.9	59%	0.59	35%	0.354	S	S	*	.	H	α-helix	trans	-82.8	-46.7	176.5	-65.6	168.3	0	0	0	110.4	H112 Q113 L114	H112-I116 WeakPolarHBondContact O-CG1 3.48Å; H112-I116 PolarHBondContact O-N 3.07Å; Q113-I116 PolarHBondContact O-N 3.12Å; Q113-I116 VanDerWaalsContact O-N 3.15Å; L114-I116 PolarHBondContact O-N 2.98Å
117	E	83.6	Confident	82.9	Confident	145 Å²	145	69.2 Å²	69.2	68%	0.678	34%	0.343	S	S	*	.	H	α-helix	trans	-75.6	-36.5	-176	-68.3	-178.8	-177	0	0	112.9	Q113 L114	Q113-E117 PolarHBondContact O-N 2.94Å; L114-E117 PolarHBondContact O-N 2.91Å
118	K	82.4	Confident	82.8	Confident	115 Å²	115	77.4 Å²	77.4	50%	0.5	38%	0.377	S	S	.	.			trans	-129.3	86.9	-176.9	-65.4	-178.8	-176.6	176.2	0	109.4	L114 E120 H121	L114-K118 CarbonylContact O-C 3.51Å; L114-K118 WeakPolarHBondContact O-CA 3.47Å; L114-K118 PolarHBondContact O-N 3.33Å; K118-E120 PolarHBondContact O-N 2.96Å; K118-H121 HydrophobicContact CB-CB 4.23Å; K118-H121 WeakPolarHBondContact O-CB 3.45Å; K118-H121 PolarHBondContact O-N 2.98Å
119	P	74.2	Confident	83	Confident	85 Å²	85	81.8 Å²	81.8	55%	0.552	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.9	-179.8	-26.8	35.2	0	0	0	114.6	K124	P119-K124 WeakPolarHBondContact O-CE 3.46Å; P119-K124 PolarHBondContact O-NZ 3.34Å
120	E	75.9	Confident	83.3	Confident	171 Å²	171	76.6 Å²	76.6	80%	0.799	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.4	176.9	-60.2	-57.6	158.9	0	0	114.1	K118	K118-E120 PolarHBondContact O-N 2.96Å
121	H	77.9	Confident	83.5	Confident	22 Å²	22	75.1 Å²	75.1	10%	0.102	37%	0.367	C	S	.	.			trans	-59.9	143.3	178	-154.8	-68.9	0	0	0	110.7	K118 C123 K124 D252	K118-H121 HydrophobicContact CB-CB 4.23Å; K118-H121 WeakPolarHBondContact O-CB 3.45Å; K118-H121 PolarHBondContact O-N 2.98Å; H121-C123 VanDerWaalsContact ND1-CB 3.33Å; H121-C123 WeakPolarHBondContact ND1-CB 3.39Å; H121-C123 PolarHBondContact ND1-N 3.31Å; H121-C123 VanDerWaalsContact ND1-N 3.16Å; H121-C123 PolarHBondContact O-N 2.85Å; H121-C123 VanDerWaalsContact O-N 3.08Å; H121-K124 VanDerWaalsContact O-CE 3.27Å; H121-K124 WeakPolarHBondContact O-CE 3.42Å; H121-D252 PolarHBondContact CE1-O 3.1Å
122	K	75.9	Confident	83.8	Confident	100 Å²	100	76.6 Å²	76.6	44%	0.435	37%	0.373	S	S	.	.	S	Bend	trans	-64.5	-12.2	175.5	-65.6	-175.8	177.8	177.3	0	113.6	K124 E257	K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 3.19Å; K122-E257 VanDerWaalsContact CE-CD 3.48Å; K122-E257 WeakPolarHBondContact CE-OE1 3.05Å; K122-E257 IonicContact NZ-OE1 2.79Å; K122-E257 PolarHBondContact NZ-OE1 3.17Å
123	C	80.2	Confident	84.1	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.02	36%	0.363	C	S	.	.			trans	-84	81.1	-175.2	-156.4	0	0	0	0	109.7	C111 H121	C111-C123 HydrophobicContact CB-CB 4.09Å; C111-C123 WeakPolarHBondContact CB-SG 3.29Å; C111-C123 VanDerWaalsContact SG-CA 3.59Å; C111-C123 WeakPolarHBondContact SG-CB 3.38Å; C111-C123 PolarHBondContact SG-O 2.87Å; C111-C123 CovalentContact SG-SG 2.01Å; C111-C123 PolarHBondContact SG-SG 3.26Å; H121-C123 VanDerWaalsContact ND1-CB 3.33Å; H121-C123 WeakPolarHBondContact ND1-CB 3.39Å; H121-C123 PolarHBondContact ND1-N 3.31Å; H121-C123 VanDerWaalsContact ND1-N 3.16Å; H121-C123 PolarHBondContact O-N 2.85Å; H121-C123 VanDerWaalsContact O-N 3.08Å
124	K	79.1	Confident	84.2	Confident	112 Å²	112	73.1 Å²	73.1	49%	0.487	36%	0.356	S	S	.	.			trans	-134.8	96	-178.9	-67.7	178.5	-175.4	168.4	0	109	P119 H121 K122 C126	P119-K124 WeakPolarHBondContact O-CE 3.46Å; P119-K124 PolarHBondContact O-NZ 3.34Å; H121-K124 VanDerWaalsContact O-CE 3.27Å; H121-K124 WeakPolarHBondContact O-CE 3.42Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 3.19Å; K124-C126 PolarHBondContact O-N 2.94Å
125	P	86.1	Confident	84.4	Confident	9 Å²	9	76.4 Å²	76.4	6%	0.058	37%	0.374	C	S	.	.	S	Bend	trans	-74.5	-5.2	179.1	33.7	-37.1	0	0	0	112.4	W132 A245 D246 M248	P125-W132 HydrophobicContact CG-CD2 3.58Å; P125-W132 VanDerWaalsContact CG-CE2 3.47Å; P125-W132 HydrophobicContact CG-CE3 3.75Å; P125-W132 HydrophobicContact CG-CG 4.21Å; P125-W132 HydrophobicContact CG-CH2 3.76Å; P125-W132 HydrophobicContact CG-CZ2 3.62Å; P125-W132 HydrophobicContact CG-CZ3 3.79Å; P125-A245 HydrophobicContact CB-CB 4.03Å; P125-A245 HydrophobicContact CG-CB 4.47Å; P125-D246 PolarHBondContact O-N 3Å; P125-M248 HydrophobicContact CB-CG 3.98Å
126	C	90.5	Very high	85	Confident	15 Å²	15	74.9 Å²	74.9	10%	0.101	36%	0.364	C	S	.	.	S	Bend	trans	-111.5	145.5	175.2	-66.3	0	0	0	0	112	K124 W130 W132 C137	K124-C126 PolarHBondContact O-N 2.94Å; C126-W130 HydrophobicContact CB-CB 4.05Å; C126-W132 HydrophobicContact CB-CB 4.34Å; C126-W132 VanDerWaalsContact SG-CB 3.51Å; C126-C137 WeakPolarHBondContact CA-SG 3.36Å; C126-C137 HydrophobicContact CB-CB 3.77Å; C126-C137 WeakPolarHBondContact CB-SG 3.37Å; C126-C137 WeakPolarHBondContact SG-CA 3.46Å; C126-C137 WeakPolarHBondContact SG-CB 3.44Å; C126-C137 CovalentContact SG-SG 2.02Å; C126-C137 PolarHBondContact SG-SG 3.45Å
127	P	89.9	Confident	85.7	Confident	43 Å²	43	69.5 Å²	69.5	28%	0.279	34%	0.336	S	S	.	.			trans	-61.2	161.8	175.5	-15.1	25.5	0	0	0	112.2	N129 W130	P127-N129 PolarHBondContact O-N 2.97Å; P127-W130 HydrophobicContact CB-CG 4.23Å; P127-W130 HydrophobicContact CG-CD2 4.46Å; P127-W130 HydrophobicContact CG-CG 4.19Å; P127-W130 WeakPolarHBondContact O-CB 2.91Å; P127-W130 PolarHBondContact O-N 2.64Å
128	K	86.3	Confident	86.3	Confident	182 Å²	182	62.7 Å²	62.7	79%	0.791	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	134.9	177.1	-170.3	175.7	-178	174.6	0	111.1	W130	K128-W130 PolarHBondContact O-N 3.08Å
129	N	87.3	Confident	86.9	Confident	136 Å²	136	59 Å²	59	73%	0.727	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	6.2	-177.8	-47.5	-40.7	0	0	0	115.9	P127	P127-N129 PolarHBondContact O-N 2.97Å
130	W	93.1	Very high	87.9	Confident	31 Å²	31	57.3 Å²	57.3	12%	0.117	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-90.7	141.5	168.3	-67.3	62.8	0	0	0	109.7	C126 P127 K128 C137 Y138 I139 Q157 A159 C241 K243	C126-W130 HydrophobicContact CB-CB 4.05Å; P127-W130 HydrophobicContact CB-CG 4.23Å; P127-W130 HydrophobicContact CG-CD2 4.46Å; P127-W130 HydrophobicContact CG-CG 4.19Å; P127-W130 WeakPolarHBondContact O-CB 2.91Å; P127-W130 PolarHBondContact O-N 2.64Å; K128-W130 PolarHBondContact O-N 3.08Å; W130-C137 HydrophobicContact CB-CB 4.22Å; W130-C137 HydrophobicContact CD2-CB 4.4Å; W130-C137 HydrophobicContact CE3-CB 3.75Å; W130-Y138 CarbonylContact C-O 3.53Å; W130-Y138 WeakPolarHBondContact CA-O 3.27Å; W130-I139 HydrophobicContact CD2-CB 3.67Å; W130-I139 HydrophobicContact CD2-CG2 3.92Å; W130-I139 HydrophobicContact CE3-CB 3.87Å; W130-I139 HydrophobicContact CE3-CG2 3.91Å; W130-I139 HydrophobicContact CG-CB 4.12Å; W130-I139 HydrophobicContact CH2-CB 4.28Å; W130-I139 HydrophobicContact CH2-CG2 3.43Å; W130-I139 VanDerWaalsContact CH2-CG2 3.43Å; W130-I139 HydrophobicContact CZ2-CB 4.11Å; W130-I139 HydrophobicContact CZ2-CG2 3.44Å; W130-I139 VanDerWaalsContact CZ2-CG2 3.44Å; W130-I139 HydrophobicContact CZ3-CB 4.16Å; W130-I139 HydrophobicContact CZ3-CG2 3.67Å; W130-Q157 HydrophobicContact CH2-CB 4.45Å; W130-Q157 HydrophobicContact CZ2-CB 4.18Å; W130-A159 HydrophobicContact CH2-CB 3.78Å; W130-A159 HydrophobicContact CZ3-CB 4.36Å; W130-C241 HydrophobicContact CH2-CB 4.06Å; W130-C241 HydrophobicContact CZ3-CB 4.35Å; W130-K243 HydrophobicContact CE3-CG 4.35Å; W130-K243 HydrophobicContact CH2-CD 4.18Å; W130-K243 HydrophobicContact CH2-CG 4.22Å; W130-K243 HydrophobicContact CZ3-CD 4.25Å; W130-K243 HydrophobicContact CZ3-CG 3.83Å
131	M	92.3	Very high	88.7	Confident	43 Å²	43	51.4 Å²	51.4	21%	0.212	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.2	173.2	-56.9	172.1	-68.1	0	0	108.7	C137 Y138 V140 F172 R176 I178	M131-C137 CarbonylContact O-C 3.54Å; M131-C137 WeakPolarHBondContact O-CA 3.33Å; M131-Y138 PolarHBondContact N-O 2.91Å; M131-Y138 PolarHBondContact O-N 3.41Å; M131-V140 HydrophobicContact CE-CG2 3.94Å; M131-F172 HydrophobicContact CB-CZ 3.81Å; M131-F172 HydrophobicContact SD-CZ 4.42Å; M131-R176 HydrophobicContact SD-CB 4.46Å; M131-R176 HydrophobicContact SD-CG 3.91Å; M131-I178 HydrophobicContact CE-CD1 3.92Å
132	W	90.9	Very high	89.2	Confident	31 Å²	31	58.7 Å²	58.7	12%	0.117	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.5	174.8	-176.9	22.8	0	0	0	110.4	T108 C111 H112 P125 C126 E134 M248	T108-W132 HydrophobicContact CG2-CH2 4.3Å; T108-W132 HydrophobicContact CG2-CZ2 3.73Å; T108-W132 WeakPolarHBondContact O-CH2 3.35Å; C111-W132 HydrophobicContact CB-CH2 4.09Å; C111-W132 HydrophobicContact CB-CZ3 4.39Å; H112-W132 HydrophobicContact CB-CE3 4.5Å; H112-W132 HydrophobicContact CB-CH2 3.63Å; H112-W132 HydrophobicContact CB-CZ2 4.35Å; H112-W132 HydrophobicContact CB-CZ3 3.74Å; H112-W132 AromaticContact CD2-CE3 3.85Å; H112-W132 AromaticContact CD2-CZ3 3.96Å; P125-W132 HydrophobicContact CG-CD2 3.58Å; P125-W132 VanDerWaalsContact CG-CE2 3.47Å; P125-W132 HydrophobicContact CG-CE3 3.75Å; P125-W132 HydrophobicContact CG-CG 4.21Å; P125-W132 HydrophobicContact CG-CH2 3.76Å; P125-W132 HydrophobicContact CG-CZ2 3.62Å; P125-W132 HydrophobicContact CG-CZ3 3.79Å; C126-W132 HydrophobicContact CB-CB 4.34Å; C126-W132 VanDerWaalsContact SG-CB 3.51Å; W132-E134 PolarHBondContact NE1-O 3.2Å; W132-M248 HydrophobicContact CH2-SD 4.33Å
133	H	90.3	Very high	90	Very high	35 Å²	35	59.4 Å²	59.4	16%	0.162	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	128.1	168.9	-176.6	75	0	0	0	110.1	D135 S136 Y138 S168 F172	H133-D135 PolarHBondContact O-N 2.99Å; H133-S136 PolarHBondContact N-O 3.28Å; H133-S136 PolarHBondContact O-N 3.31Å; H133-S136 VanDerWaalsContact O-N 3.1Å; H133-Y138 HydrophobicContact CB-CD2 4.27Å; H133-Y138 HydrophobicContact CB-CE2 3.88Å; H133-S168 PolarHBondContact NE2-OG 3.47Å; H133-F172 HydrophobicContact CB-CD1 3.75Å; H133-F172 HydrophobicContact CB-CD2 3.63Å; H133-F172 HydrophobicContact CB-CE1 3.74Å; H133-F172 HydrophobicContact CB-CE2 3.61Å; H133-F172 HydrophobicContact CB-CG 3.69Å; H133-F172 HydrophobicContact CB-CZ 3.66Å; H133-F172 AromaticContact CD2-CG 3.76Å; H133-F172 AromaticContact CG-CD1 3.82Å; H133-F172 AromaticContact CG-CD2 3.49Å; H133-F172 VanDerWaalsContact CG-CD2 3.49Å; H133-F172 AromaticContact CG-CG 3.36Å; H133-F172 AromaticContact ND1-CD2 3.38Å; H133-F172 WeakPolarHBondContact ND1-CD2 3.4Å; H133-F172 AromaticContact ND1-CG 3.59Å
134	E	87.9	Confident	90.7	Very high	82 Å²	82	62 Å²	62	38%	0.383	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-122.9	-174.2	-64.2	-178.5	160.9	0	0	112.2	W132 S136 N166 S168	W132-E134 PolarHBondContact NE1-O 3.2Å; E134-S136 VanDerWaalsContact C-N 3.35Å; E134-N166 PolarHBondContact OE2-ND2 2.81Å; E134-S168 VanDerWaalsContact CD-OG 3.31Å; E134-S168 WeakPolarHBondContact OE1-CB 3.42Å; E134-S168 PolarHBondContact OE1-OG 3.43Å
135	D	88.3	Confident	91.5	Very high	96 Å²	96	59 Å²	59	51%	0.513	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	8.8	-178.2	65.7	-10.1	0	0	0	112.8	H133 A245	H133-D135 PolarHBondContact O-N 2.99Å; D135-A245 WeakPolarHBondContact O-CB 3.45Å; D135-A245 PolarHBondContact O-N 3.38Å
136	S	92.9	Very high	91.9	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.3	-165	-64.7	0	0	0	0	112.9	H133 E134 Y138 K243	H133-S136 PolarHBondContact N-O 3.28Å; H133-S136 PolarHBondContact O-N 3.31Å; H133-S136 VanDerWaalsContact O-N 3.1Å; E134-S136 VanDerWaalsContact C-N 3.35Å; S136-Y138 WeakPolarHBondContact CB-OH 3.35Å; S136-K243 CarbonylContact C-O 3.6Å; S136-K243 WeakPolarHBondContact CA-O 3.2Å
137	C	94.9	Very high	92.1	Very high	1 Å²	1	60 Å²	60	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.7	176.8	-56	0	0	0	0	109.9	C126 W130 M131 E242 K243 A245	C126-C137 WeakPolarHBondContact CA-SG 3.36Å; C126-C137 HydrophobicContact CB-CB 3.77Å; C126-C137 WeakPolarHBondContact CB-SG 3.37Å; C126-C137 WeakPolarHBondContact SG-CA 3.46Å; C126-C137 WeakPolarHBondContact SG-CB 3.44Å; C126-C137 CovalentContact SG-SG 2.02Å; C126-C137 PolarHBondContact SG-SG 3.45Å; W130-C137 HydrophobicContact CB-CB 4.22Å; W130-C137 HydrophobicContact CD2-CB 4.4Å; W130-C137 HydrophobicContact CE3-CB 3.75Å; M131-C137 CarbonylContact O-C 3.54Å; M131-C137 WeakPolarHBondContact O-CA 3.33Å; C137-E242 VanDerWaalsContact O-CA 3.31Å; C137-E242 WeakPolarHBondContact O-CA 3.45Å; C137-K243 HydrophobicContact CB-CG 4.23Å; C137-K243 PolarHBondContact N-O 3.46Å; C137-K243 PolarHBondContact O-N 3.26Å; C137-A245 VanDerWaalsContact SG-CA 3.52Å
138	Y	96.1	Very high	92.1	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.8	-176.7	-55.2	-92.3	0	0	0	112	W130 M131 H133 S136 L162 V169 F172 I173 C241 E242	W130-Y138 CarbonylContact C-O 3.53Å; W130-Y138 WeakPolarHBondContact CA-O 3.27Å; M131-Y138 PolarHBondContact N-O 2.91Å; M131-Y138 PolarHBondContact O-N 3.41Å; H133-Y138 HydrophobicContact CB-CD2 4.27Å; H133-Y138 HydrophobicContact CB-CE2 3.88Å; S136-Y138 WeakPolarHBondContact CB-OH 3.35Å; Y138-L162 HydrophobicContact CD1-CD1 3.83Å; Y138-L162 HydrophobicContact CE1-CD1 3.58Å; Y138-V169 HydrophobicContact CE1-CG1 4.43Å; Y138-F172 HydrophobicContact CD2-CD1 4.37Å; Y138-F172 AromaticContact CD2-CE1 3.6Å; Y138-F172 HydrophobicContact CD2-CE1 3.6Å; Y138-F172 HydrophobicContact CD2-CZ 4.24Å; Y138-F172 HydrophobicContact CE2-CD1 4.43Å; Y138-F172 HydrophobicContact CE2-CE1 4.07Å; Y138-F172 AromaticContact CG-CE1 3.96Å; Y138-F172 HydrophobicContact CG-CE1 3.96Å; Y138-I173 HydrophobicContact CD1-CD1 4.47Å; Y138-C241 VanDerWaalsContact CA-O 3.28Å; Y138-C241 WeakPolarHBondContact CA-O 3.46Å; Y138-E242 HydrophobicContact CD1-CB 3.75Å; Y138-E242 HydrophobicContact CE1-CB 3.67Å
139	I	95.8	Very high	92.5	Very high	39 Å²	39	57.3 Å²	57.3	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.6	171.4	-168.5	166.5	0	0	0	110.6	W130 I240 C241	W130-I139 HydrophobicContact CD2-CB 3.67Å; W130-I139 HydrophobicContact CD2-CG2 3.92Å; W130-I139 HydrophobicContact CE3-CB 3.87Å; W130-I139 HydrophobicContact CE3-CG2 3.91Å; W130-I139 HydrophobicContact CG-CB 4.12Å; W130-I139 HydrophobicContact CH2-CB 4.28Å; W130-I139 HydrophobicContact CH2-CG2 3.43Å; W130-I139 VanDerWaalsContact CH2-CG2 3.43Å; W130-I139 HydrophobicContact CZ2-CB 4.11Å; W130-I139 HydrophobicContact CZ2-CG2 3.44Å; W130-I139 VanDerWaalsContact CZ2-CG2 3.44Å; W130-I139 HydrophobicContact CZ3-CB 4.16Å; W130-I139 HydrophobicContact CZ3-CG2 3.67Å; I139-I240 WeakPolarHBondContact O-CA 3.37Å; I139-C241 HydrophobicContact CG2-CB 3.86Å; I139-C241 PolarHBondContact N-O 3.49Å; I139-C241 PolarHBondContact O-N 3.39Å
140	V	94.5	Very high	92.9	Very high	48 Å²	48	50.8 Å²	50.8	29%	0.291	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.3	174.4	-176.4	0	0	0	0	108.7	M131 I178 I239 I240	M131-V140 HydrophobicContact CE-CG2 3.94Å; V140-I178 HydrophobicContact CG2-CD1 3.65Å; V140-I178 HydrophobicContact CG2-CG1 4.02Å; V140-I239 CarbonylContact C-O 3.53Å; V140-I239 WeakPolarHBondContact CA-O 3.48Å; V140-I240 HydrophobicContact CG2-CG1 4.4Å
141	I	93.3	Very high	92.8	Very high	48 Å²	48	50.8 Å²	50.8	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.5	171.2	-50	168	0	0	0	106.8	L143 L153 I239	I141-L143 VanDerWaalsContact C-N 3.35Å; I141-L143 HydrophobicContact CG2-CB 4.48Å; I141-L153 HydrophobicContact CD1-CB 4.41Å; I141-I239 HydrophobicContact CB-CB 4Å; I141-I239 HydrophobicContact CB-CD1 4.16Å; I141-I239 HydrophobicContact CB-CG1 4.39Å; I141-I239 HydrophobicContact CD1-CB 4.36Å; I141-I239 HydrophobicContact CD1-CD1 4.24Å; I141-I239 HydrophobicContact CD1-CG2 4.3Å; I141-I239 HydrophobicContact CG1-CB 4.48Å; I141-I239 HydrophobicContact CG2-CD1 4.25Å; I141-I239 PolarHBondContact N-O 2.93Å; I141-I239 PolarHBondContact O-N 3.2Å
142	K	87.4	Confident	92.9	Very high	175 Å²	175	53.5 Å²	53.5	76%	0.761	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	-26.7	-172.1	-68	-178.2	-178.9	175.8	0	113.3	P144	K142-P144 WeakPolarHBondContact O-CD 3.34Å
143	L	92.6	Very high	93.1	Very high	114 Å²	114	54.8 Å²	54.8	60%	0.597	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	114.6	178.3	-175.8	63.1	0	0	0	108.9	I141	I141-L143 VanDerWaalsContact C-N 3.35Å; I141-L143 HydrophobicContact CG2-CB 4.48Å
144	P	95.4	Very high	93.3	Very high	57 Å²	57	53.1 Å²	53.1	37%	0.37	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	137.3	179.4	-18.1	34	0	0	0	110.9	K142 K237	K142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-K237 CarbonylContact C-O 3.44Å; P144-K237 WeakPolarHBondContact CA-O 3.39Å
145	E	96.3	Very high	93.7	Very high	51 Å²	51	52.1 Å²	52.1	24%	0.238	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	166.3	-178.4	-75.7	-67.5	179.1	0	0	110.7	K149 L153 W182 T236 K237 I239	E145-K149 HydrophobicContact CB-CB 4.13Å; E145-K149 HydrophobicContact CB-CG 4.1Å; E145-K149 HydrophobicContact CG-CG 4.04Å; E145-L153 HydrophobicContact CG-CD1 4.09Å; E145-W182 PolarHBondContact O-NE1 3.24Å; E145-T236 WeakPolarHBondContact O-CA 2.98Å; E145-K237 PolarHBondContact N-O 2.92Å; E145-K237 PolarHBondContact O-N 3.22Å; E145-I239 HydrophobicContact CB-CD1 4.02Å; E145-I239 HydrophobicContact CG-CD1 4.15Å
146	T	94.8	Very high	94	Very high	42 Å²	42	51.3 Å²	51.3	26%	0.258	28%	0.276	S	S	.	.			trans	-61.6	157.3	171.9	71.6	0	0	0	0	110.6	Q148 K149 S150 T234 E235	T146-Q148 VanDerWaalsContact C-N 3.26Å; T146-Q148 PolarHBondContact O-N 3.37Å; T146-K149 PolarHBondContact O-N 3.03Å; T146-K149 WeakPolarHBondContact OG1-CB 3.34Å; T146-K149 PolarHBondContact OG1-N 3.36Å; T146-S150 VanDerWaalsContact O-CB 3.3Å; T146-S150 WeakPolarHBondContact O-CB 3.03Å; T146-S150 PolarHBondContact O-N 3.01Å; T146-S150 PolarHBondContact O-OG 3.03Å; T146-T234 WeakPolarHBondContact CG2-O 3.48Å; T146-E235 WeakPolarHBondContact CA-O 3.28Å
147	W	93.4	Very high	94	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-42.4	-179.4	-174.8	94.1	0	0	0	111.6	S150 D151 L161 W182 L183 L185 P187 T211 L214 C220 C233	W147-S150 WeakPolarHBondContact O-CB 3.5Å; W147-S150 PolarHBondContact O-N 3.41Å; W147-D151 HydrophobicContact CZ3-CB 4.4Å; W147-D151 PolarHBondContact O-N 2.02Å; W147-L161 HydrophobicContact CD2-CD1 4.24Å; W147-L161 HydrophobicContact CG-CD1 4.45Å; W147-L161 HydrophobicContact CZ2-CD1 4.06Å; W147-W182 HydrophobicContact CB-CD2 4.04Å; W147-W182 HydrophobicContact CB-CE3 4.44Å; W147-W182 HydrophobicContact CB-CG 4.35Å; W147-W182 HydrophobicContact CB-CZ2 4.35Å; W147-W182 AromaticContact CD1-CD2 3.75Å; W147-W182 AromaticContact CD1-CE3 3.73Å; W147-W182 AromaticContact CD1-CG 3.85Å; W147-W182 HydrophobicContact CG-CD2 4.32Å; W147-W182 HydrophobicContact CG-CE3 4.49Å; W147-W182 HydrophobicContact CG-CG 4.46Å; W147-L183 PolarHBondContact NE1-O 2.97Å; W147-L185 WeakPolarHBondContact CZ2-O 3.4Å; W147-P187 HydrophobicContact CE3-CG 4.42Å; W147-P187 HydrophobicContact CH2-CG 4.06Å; W147-P187 HydrophobicContact CZ2-CG 4.44Å; W147-P187 HydrophobicContact CZ3-CG 4.04Å; W147-T211 HydrophobicContact CH2-CG2 3.88Å; W147-T211 HydrophobicContact CZ3-CG2 3.62Å; W147-L214 HydrophobicContact CE3-CD1 3.8Å; W147-L214 HydrophobicContact CZ3-CD1 3.96Å; W147-C220 HydrophobicContact CB-CB 3.83Å; W147-C220 VanDerWaalsContact CB-SG 3.54Å; W147-C220 HydrophobicContact CD2-CB 4.33Å; W147-C220 VanDerWaalsContact CD2-SG 3.52Å; W147-C220 HydrophobicContact CG-CB 3.62Å; W147-C233 HydrophobicContact CB-CB 4.38Å; W147-C233 PolarHBondContact N-O 2.87Å; W147-C233 VanDerWaalsContact N-O 3.07Å
148	Q	91.3	Very high	94	Very high	71 Å²	71	63.3 Å²	63.3	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-46	178.5	-167.4	180	21.1	0	0	112.2	T146 S150 D151 M152 L214	T146-Q148 VanDerWaalsContact C-N 3.26Å; T146-Q148 PolarHBondContact O-N 3.37Å; Q148-S150 VanDerWaalsContact C-N 3.26Å; Q148-S150 PolarHBondContact O-N 3.38Å; Q148-D151 PolarHBondContact O-N 2.77Å; Q148-M152 HydrophobicContact CG-CE 3.99Å; Q148-M152 WeakPolarHBondContact O-CG 3.41Å; Q148-M152 PolarHBondContact O-N 3.01Å; Q148-L214 HydrophobicContact CB-CD1 3.67Å; Q148-L214 HydrophobicContact CG-CD1 3.87Å
149	K	94.1	Very high	94	Very high	97 Å²	97	63.9 Å²	63.9	42%	0.422	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-35.3	177.8	-174.8	63.2	172	-171.5	0	111.4	E145 T146 M152 L153	E145-K149 HydrophobicContact CB-CB 4.13Å; E145-K149 HydrophobicContact CB-CG 4.1Å; E145-K149 HydrophobicContact CG-CG 4.04Å; T146-K149 PolarHBondContact O-N 3.03Å; T146-K149 WeakPolarHBondContact OG1-CB 3.34Å; T146-K149 PolarHBondContact OG1-N 3.36Å; K149-M152 PolarHBondContact O-N 3.42Å; K149-L153 HydrophobicContact CG-CD1 4.28Å; K149-L153 WeakPolarHBondContact O-CB 3.43Å; K149-L153 VanDerWaalsContact O-CG 3.29Å; K149-L153 WeakPolarHBondContact O-CG 3.29Å; K149-L153 PolarHBondContact O-N 3.28Å
150	S	94.9	Very high	93.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-44	176.2	-56	0	0	0	0	112.2	T146 W147 Q148 L153 C154 I239	T146-S150 VanDerWaalsContact O-CB 3.3Å; T146-S150 WeakPolarHBondContact O-CB 3.03Å; T146-S150 PolarHBondContact O-N 3.01Å; T146-S150 PolarHBondContact O-OG 3.03Å; W147-S150 WeakPolarHBondContact O-CB 3.5Å; W147-S150 PolarHBondContact O-N 3.41Å; Q148-S150 VanDerWaalsContact C-N 3.26Å; Q148-S150 PolarHBondContact O-N 3.38Å; S150-L153 PolarHBondContact O-N 2.81Å; S150-C154 PolarHBondContact O-N 2.75Å; S150-C154 PolarHBondContact O-SG 2.87Å; S150-C154 VanDerWaalsContact O-SG 3.39Å; S150-I239 WeakPolarHBondContact OG-CG1 3.32Å
151	D	92.1	Very high	93.9	Very high	31 Å²	31	61.5 Å²	61.5	17%	0.166	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-42.1	174.4	-173.1	58.4	0	0	0	111.9	W147 Q148 L153 C154 S155 L161	W147-D151 HydrophobicContact CZ3-CB 4.4Å; W147-D151 PolarHBondContact O-N 2.02Å; Q148-D151 PolarHBondContact O-N 2.77Å; D151-L153 PolarHBondContact O-N 2.04Å; D151-C154 PolarHBondContact O-N 3.01Å; D151-S155 VanDerWaalsContact O-CB 3.29Å; D151-S155 WeakPolarHBondContact O-CB 3.06Å; D151-S155 PolarHBondContact O-N 2.87Å; D151-S155 PolarHBondContact O-OG 2.92Å; D151-L161 HydrophobicContact CB-CD1 3.9Å; D151-L161 HydrophobicContact CB-CG 4.49Å
152	M	93.4	Very high	93.9	Very high	99 Å²	99	59.2 Å²	59.2	49%	0.488	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-42.8	174	-70	175.9	179.1	0	0	112.3	Q148 K149 S155 A156	Q148-M152 HydrophobicContact CG-CE 3.99Å; Q148-M152 WeakPolarHBondContact O-CG 3.41Å; Q148-M152 PolarHBondContact O-N 3.01Å; K149-M152 PolarHBondContact O-N 3.42Å; M152-S155 PolarHBondContact O-N 3.41Å; M152-A156 WeakPolarHBondContact O-CB 3.03Å; M152-A156 PolarHBondContact O-N 3.38Å
153	L	95.3	Very high	94	Very high	58 Å²	58	53.1 Å²	53.1	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-40.1	179	-76	169.5	0	0	0	112.2	I141 E145 K149 S150 D151 I239	I141-L153 HydrophobicContact CD1-CB 4.41Å; E145-L153 HydrophobicContact CG-CD1 4.09Å; K149-L153 HydrophobicContact CG-CD1 4.28Å; K149-L153 WeakPolarHBondContact O-CB 3.43Å; K149-L153 VanDerWaalsContact O-CG 3.29Å; K149-L153 WeakPolarHBondContact O-CG 3.29Å; K149-L153 PolarHBondContact O-N 3.28Å; S150-L153 PolarHBondContact O-N 2.81Å; D151-L153 PolarHBondContact O-N 2.04Å; L153-I239 HydrophobicContact CB-CD1 4.43Å; L153-I239 HydrophobicContact CD1-CD1 3.43Å; L153-I239 VanDerWaalsContact CD1-CD1 3.43Å
154	C	95.5	Very high	93.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-44	172.7	-63.4	0	0	0	0	111.3	S150 D151 A156 Q157 A159 C241	S150-C154 PolarHBondContact O-N 2.75Å; S150-C154 PolarHBondContact O-SG 2.87Å; S150-C154 VanDerWaalsContact O-SG 3.39Å; D151-C154 PolarHBondContact O-N 3.01Å; C154-A156 VanDerWaalsContact C-N 3.29Å; C154-A156 PolarHBondContact O-N 3.39Å; C154-Q157 WeakPolarHBondContact O-CA 3.23Å; C154-Q157 WeakPolarHBondContact O-CB 3.46Å; C154-Q157 PolarHBondContact O-N 3.41Å; C154-A159 CarbonylContact C-O 3.44Å; C154-A159 HydrophobicContact CB-CB 4.37Å; C154-A159 CarbonylContact O-C 3.59Å; C154-A159 WeakPolarHBondContact O-CA 3.3Å; C154-A159 WeakPolarHBondContact O-CB 3.48Å; C154-A159 PolarHBondContact O-N 3.29Å; C154-A159 VanDerWaalsContact O-O 3.08Å; C154-C241 WeakPolarHBondContact CA-SG 3.09Å; C154-C241 HydrophobicContact CB-CB 3.69Å; C154-C241 WeakPolarHBondContact CB-SG 3.28Å; C154-C241 WeakPolarHBondContact SG-CA 3.19Å; C154-C241 WeakPolarHBondContact SG-CB 3.33Å; C154-C241 CovalentContact SG-SG 2.04Å; C154-C241 PolarHBondContact SG-SG 3.11Å
155	S	94.6	Very high	93.1	Very high	62 Å²	62	49.2 Å²	49.2	43%	0.434	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-38.4	179.2	-65.4	0	0	0	0	112.4	D151 M152 Q157 N158 A159	D151-S155 VanDerWaalsContact O-CB 3.29Å; D151-S155 WeakPolarHBondContact O-CB 3.06Å; D151-S155 PolarHBondContact O-N 2.87Å; D151-S155 PolarHBondContact O-OG 2.92Å; M152-S155 PolarHBondContact O-N 3.41Å; S155-Q157 PolarHBondContact O-N 3.01Å; S155-Q157 VanDerWaalsContact O-N 3.12Å; S155-N158 PolarHBondContact O-N 3.49Å; S155-A159 WeakPolarHBondContact CA-O 3.32Å; S155-A159 PolarHBondContact N-O 3.25Å
156	A	95.1	Very high	92.5	Very high	79 Å²	79	49.3 Å²	49.3	65%	0.653	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.6	174.4	0	0	0	0	0	113.8	M152 C154	M152-A156 WeakPolarHBondContact O-CB 3.03Å; M152-A156 PolarHBondContact O-N 3.38Å; C154-A156 VanDerWaalsContact C-N 3.29Å; C154-A156 PolarHBondContact O-N 3.39Å
157	Q	93.9	Very high	92	Very high	106 Å²	106	54 Å²	54	50%	0.495	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.8	176.2	-62.8	-69.1	-15.8	0	0	112.9	W130 C154 S155 A159	W130-Q157 HydrophobicContact CH2-CB 4.45Å; W130-Q157 HydrophobicContact CZ2-CB 4.18Å; C154-Q157 WeakPolarHBondContact O-CA 3.23Å; C154-Q157 WeakPolarHBondContact O-CB 3.46Å; C154-Q157 PolarHBondContact O-N 3.41Å; S155-Q157 PolarHBondContact O-N 3.01Å; S155-Q157 VanDerWaalsContact O-N 3.12Å; Q157-A159 HydrophobicContact CB-CB 4.38Å; Q157-A159 PolarHBondContact O-N 3.04Å
158	N	95	Very high	91.8	Very high	149 Å²	149	56 Å²	56	80%	0.797	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.4	-169.3	-61.1	-48.1	0	0	0	112.3	S155	S155-N158 PolarHBondContact O-N 3.49Å
159	A	95.4	Very high	91.7	Very high	13 Å²	13	52.7 Å²	52.7	11%	0.107	28%	0.282	C	S	.	.			trans	-125.3	169.8	-179.4	0	0	0	0	0	110.3	W130 C154 S155 Q157 C241 E242 K243	W130-A159 HydrophobicContact CH2-CB 3.78Å; W130-A159 HydrophobicContact CZ3-CB 4.36Å; C154-A159 CarbonylContact C-O 3.44Å; C154-A159 HydrophobicContact CB-CB 4.37Å; C154-A159 CarbonylContact O-C 3.59Å; C154-A159 WeakPolarHBondContact O-CA 3.3Å; C154-A159 WeakPolarHBondContact O-CB 3.48Å; C154-A159 PolarHBondContact O-N 3.29Å; C154-A159 VanDerWaalsContact O-O 3.08Å; S155-A159 WeakPolarHBondContact CA-O 3.32Å; S155-A159 PolarHBondContact N-O 3.25Å; Q157-A159 HydrophobicContact CB-CB 4.38Å; Q157-A159 PolarHBondContact O-N 3.04Å; A159-C241 HydrophobicContact CB-CB 3.96Å; A159-E242 WeakPolarHBondContact CA-O 3.32Å; A159-E242 VanDerWaalsContact CB-O 3.3Å; A159-E242 WeakPolarHBondContact CB-O 3.31Å; A159-K243 HydrophobicContact CB-CB 3.94Å; A159-K243 HydrophobicContact CB-CD 4.4Å; A159-K243 HydrophobicContact CB-CG 4.42Å
160	S	94.4	Very high	91.3	Very high	36 Å²	36	48.7 Å²	48.7	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	163.9	169.7	56.2	0	0	0	0	110.4	C241 E242	S160-C241 CarbonylContact O-C 3.57Å; S160-C241 VanDerWaalsContact O-CA 3.23Å; S160-C241 WeakPolarHBondContact O-CA 3.36Å; S160-E242 PolarHBondContact N-O 3.32Å; S160-E242 PolarHBondContact O-N 2.88Å
161	L	94.3	Very high	91.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	147	163.7	-79.2	167.8	0	0	0	111	W147 D151 K163 W182 I239 I240	W147-L161 HydrophobicContact CD2-CD1 4.24Å; W147-L161 HydrophobicContact CG-CD1 4.45Å; W147-L161 HydrophobicContact CZ2-CD1 4.06Å; D151-L161 HydrophobicContact CB-CD1 3.9Å; D151-L161 HydrophobicContact CB-CG 4.49Å; L161-K163 PolarHBondContact O-N 2.93Å; L161-W182 HydrophobicContact CD2-CB 4.06Å; L161-I239 HydrophobicContact CD2-CG2 3.8Å; L161-I240 WeakPolarHBondContact CA-O 3.39Å
162	L	92.8	Very high	91	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.			trans	-48.9	130.2	-178.8	172.3	67.8	0	0	0	112.4	Y138 I164 V169 I173 L183 G184 I240	Y138-L162 HydrophobicContact CD1-CD1 3.83Å; Y138-L162 HydrophobicContact CE1-CD1 3.58Å; L162-I164 HydrophobicContact CD2-CG1 4.24Å; L162-I164 HydrophobicContact CG-CG1 4.25Å; L162-V169 HydrophobicContact CD1-CG1 4.2Å; L162-I173 HydrophobicContact CD1-CD1 4.07Å; L162-I173 HydrophobicContact CD1-CG1 4.28Å; L162-I173 HydrophobicContact CD2-CD1 3.9Å; L162-I173 HydrophobicContact CD2-CG1 3.93Å; L162-I173 HydrophobicContact CD2-CG2 4.3Å; L162-L183 HydrophobicContact CB-CD2 4.34Å; L162-L183 HydrophobicContact CD2-CD2 3.83Å; L162-L183 HydrophobicContact CG-CD2 4.08Å; L162-G184 PolarHBondContact O-N 3.33Å; L162-I240 HydrophobicContact CB-CB 3.86Å; L162-I240 HydrophobicContact CB-CG2 3.88Å; L162-I240 HydrophobicContact CD2-CB 4.31Å; L162-I240 HydrophobicContact CD2-CD1 3.58Å; L162-I240 HydrophobicContact CD2-CG2 4.15Å; L162-I240 HydrophobicContact CG-CG2 4.4Å; L162-I240 PolarHBondContact N-O 3.15Å
163	K	89.6	Confident	90.9	Very high	47 Å²	47	47.4 Å²	47.4	20%	0.204	26%	0.257	C	S	.	.			trans	-117.9	122.4	172.4	-54.6	178.4	178.7	-177.6	0	108.8	L161 K165 W206 E242	L161-K163 PolarHBondContact O-N 2.93Å; K163-K165 VanDerWaalsContact C-N 3.35Å; K163-K165 HydrophobicContact CB-CG 4.11Å; K163-K165 PolarHBondContact O-N 3.18Å; K163-W206 VanDerWaalsContact CA-CZ3 3.48Å; K163-W206 HydrophobicContact CB-CD2 3.83Å; K163-W206 HydrophobicContact CB-CE3 3.6Å; K163-W206 HydrophobicContact CB-CG 4.41Å; K163-W206 HydrophobicContact CB-CH2 4.44Å; K163-W206 HydrophobicContact CB-CZ3 3.93Å; K163-W206 HydrophobicContact CD-CB 4.15Å; K163-W206 HydrophobicContact CD-CE3 4.34Å; K163-W206 HydrophobicContact CD-CG 4.44Å; K163-W206 HydrophobicContact CG-CD2 4.13Å; K163-W206 HydrophobicContact CG-CE3 3.63Å; K163-W206 HydrophobicContact CG-CZ3 4.19Å; K163-E242 WeakPolarHBondContact CB-OE1 3.3Å; K163-E242 WeakPolarHBondContact CG-OE1 3.48Å; K163-E242 PolarHBondContact N-OE2 3.3Å
164	I	85.9	Confident	90.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.255	C	S	.	.			trans	-87.3	83.3	-179.1	-56.1	171.9	0	0	0	108.3	L162 L170 L183 L197 W206 L223	L162-I164 HydrophobicContact CD2-CG1 4.24Å; L162-I164 HydrophobicContact CG-CG1 4.25Å; I164-L170 HydrophobicContact CD1-CD1 4.43Å; I164-L170 HydrophobicContact CG2-CB 3.8Å; I164-L183 HydrophobicContact CD1-CD1 4.34Å; I164-L183 HydrophobicContact CD1-CD2 3.82Å; I164-L183 HydrophobicContact CG1-CD2 4.17Å; I164-L197 HydrophobicContact CB-CD2 3.9Å; I164-L197 HydrophobicContact CD1-CD2 3.56Å; I164-L197 HydrophobicContact CG1-CD2 4.3Å; I164-L197 HydrophobicContact CG2-CD2 3.42Å; I164-L197 VanDerWaalsContact CG2-CD2 3.42Å; I164-W206 HydrophobicContact CB-CH2 4.09Å; I164-W206 HydrophobicContact CB-CZ2 4.12Å; I164-W206 HydrophobicContact CG1-CH2 4.48Å; I164-W206 WeakPolarHBondContact O-CZ2 3.38Å; I164-L223 HydrophobicContact CD1-CD1 4.25Å
165	K	82.3	Confident	90.3	Very high	88 Å²	88	51.3 Å²	51.3	38%	0.383	28%	0.282	S	S	.	.			trans	-82.7	-10.3	-171.8	-60.4	172.6	-166	160.6	0	115.4	K163 I202 E242	K163-K165 VanDerWaalsContact C-N 3.35Å; K163-K165 HydrophobicContact CB-CG 4.11Å; K163-K165 PolarHBondContact O-N 3.18Å; K165-I202 WeakPolarHBondContact O-CG2 3.39Å; K165-E242 WeakPolarHBondContact CE-OE1 3.45Å; K165-E242 IonicContact NZ-OE1 3.83Å; K165-E242 PolarHBondContact NZ-OE1 2.68Å
166	N	84.2	Confident	90.1	Very high	54 Å²	54	54.8 Å²	54.8	29%	0.289	29%	0.285	S	S	.	.	S	Bend	trans	-163.9	174.4	174.8	62.6	45.6	0	0	0	110.4	E134 S168 V169 L170	E134-N166 PolarHBondContact OE2-ND2 2.81Å; N166-S168 VanDerWaalsContact C-N 3.3Å; N166-S168 PolarHBondContact O-N 3.23Å; N166-S168 WeakPolarHBondContact OD1-CA 3.47Å; N166-S168 VanDerWaalsContact OD1-CB 3.23Å; N166-S168 WeakPolarHBondContact OD1-CB 3.32Å; N166-S168 PolarHBondContact OD1-N 3.25Å; N166-V169 WeakPolarHBondContact OD1-CG2 3.16Å; N166-V169 PolarHBondContact OD1-N 3.04Å; N166-L170 PolarHBondContact O-N 3.15Å
167	K	84.7	Confident	89.8	Confident	140 Å²	140	59.3 Å²	59.3	61%	0.609	29%	0.291	S	S	*	.	H	α-helix	trans	-64.2	-32.9	176.7	-174.3	178	178.8	-179.1	0	112.8	L170 E171	K167-L170 WeakPolarHBondContact O-CB 3.41Å; K167-L170 PolarHBondContact O-N 3.35Å; K167-E171 HydrophobicContact CG-CG 4.44Å; K167-E171 WeakPolarHBondContact O-CG 3.38Å; K167-E171 PolarHBondContact O-N 2.79Å
168	S	88.9	Confident	89.5	Confident	43 Å²	43	55 Å²	55	30%	0.301	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-47	-179.8	179	0	0	0	0	112	H133 E134 N166 L170 E171 F172	H133-S168 PolarHBondContact NE2-OG 3.47Å; E134-S168 VanDerWaalsContact CD-OG 3.31Å; E134-S168 WeakPolarHBondContact OE1-CB 3.42Å; E134-S168 PolarHBondContact OE1-OG 3.43Å; N166-S168 VanDerWaalsContact C-N 3.3Å; N166-S168 PolarHBondContact O-N 3.23Å; N166-S168 WeakPolarHBondContact OD1-CA 3.47Å; N166-S168 VanDerWaalsContact OD1-CB 3.23Å; N166-S168 WeakPolarHBondContact OD1-CB 3.32Å; N166-S168 PolarHBondContact OD1-N 3.25Å; S168-L170 VanDerWaalsContact C-N 3.29Å; S168-L170 PolarHBondContact O-N 3.31Å; S168-E171 PolarHBondContact O-N 3.05Å; S168-F172 WeakPolarHBondContact O-CB 3.44Å; S168-F172 PolarHBondContact O-N 2.8Å
169	V	89.5	Confident	89.1	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-42.7	173.8	175	0	0	0	0	110.6	Y138 L162 N166 F172 I173	Y138-V169 HydrophobicContact CE1-CG1 4.43Å; L162-V169 HydrophobicContact CD1-CG1 4.2Å; N166-V169 WeakPolarHBondContact OD1-CG2 3.16Å; N166-V169 PolarHBondContact OD1-N 3.04Å; V169-F172 WeakPolarHBondContact O-CB 3.34Å; V169-F172 PolarHBondContact O-N 3.34Å; V169-I173 HydrophobicContact CG1-CG1 4.31Å; V169-I173 VanDerWaalsContact O-CG1 3.25Å; V169-I173 WeakPolarHBondContact O-CG1 3.43Å; V169-I173 PolarHBondContact O-N 2.88Å
170	L	86.4	Confident	88.9	Confident	13 Å²	13	54 Å²	54	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-48.8	176.7	177.7	54.8	0	0	0	112.3	I164 N166 K167 S168 F172 I173 K174 L197	I164-L170 HydrophobicContact CD1-CD1 4.43Å; I164-L170 HydrophobicContact CG2-CB 3.8Å; N166-L170 PolarHBondContact O-N 3.15Å; K167-L170 WeakPolarHBondContact O-CB 3.41Å; K167-L170 PolarHBondContact O-N 3.35Å; S168-L170 VanDerWaalsContact C-N 3.29Å; S168-L170 PolarHBondContact O-N 3.31Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 3.4Å; L170-I173 PolarHBondContact O-N 3.03Å; L170-K174 HydrophobicContact CD1-CD 4.44Å; L170-K174 HydrophobicContact CD1-CG 4.34Å; L170-K174 HydrophobicContact CG-CD 4.33Å; L170-K174 VanDerWaalsContact O-CG 3.3Å; L170-K174 WeakPolarHBondContact O-CG 3.4Å; L170-K174 PolarHBondContact O-N 2.82Å; L170-L197 HydrophobicContact CB-CD2 4.47Å; L170-L197 HydrophobicContact CD1-CD2 3.77Å; L170-L197 HydrophobicContact CD2-CB 3.64Å; L170-L197 HydrophobicContact CD2-CD2 3.73Å; L170-L197 HydrophobicContact CD2-CG 4.28Å; L170-L197 HydrophobicContact CG-CD2 4.17Å
171	E	89	Confident	88.9	Confident	88 Å²	88	52.3 Å²	52.3	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-36.6	178.5	-66.2	-50.1	133.7	0	0	112	K167 S168 K174 S175	K167-E171 HydrophobicContact CG-CG 4.44Å; K167-E171 WeakPolarHBondContact O-CG 3.38Å; K167-E171 PolarHBondContact O-N 2.79Å; S168-E171 PolarHBondContact O-N 3.05Å; E171-K174 WeakPolarHBondContact O-CB 3.49Å; E171-K174 PolarHBondContact O-N 3.1Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 PolarHBondContact OE1-NZ 3.35Å; E171-K174 IonicContact OE2-NZ 3.78Å; E171-S175 WeakPolarHBondContact O-CB 3.28Å; E171-S175 PolarHBondContact O-N 3.32Å
172	F	91.1	Very high	88.9	Confident	13 Å²	13	52.3 Å²	52.3	6%	0.057	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-52.1	172.3	169.7	-107.2	0	0	0	112.1	M131 H133 Y138 S168 V169 L170 K174 S175 R176	M131-F172 HydrophobicContact CB-CZ 3.81Å; M131-F172 HydrophobicContact SD-CZ 4.42Å; H133-F172 HydrophobicContact CB-CD1 3.75Å; H133-F172 HydrophobicContact CB-CD2 3.63Å; H133-F172 HydrophobicContact CB-CE1 3.74Å; H133-F172 HydrophobicContact CB-CE2 3.61Å; H133-F172 HydrophobicContact CB-CG 3.69Å; H133-F172 HydrophobicContact CB-CZ 3.66Å; H133-F172 AromaticContact CD2-CG 3.76Å; H133-F172 AromaticContact CG-CD1 3.82Å; H133-F172 AromaticContact CG-CD2 3.49Å; H133-F172 VanDerWaalsContact CG-CD2 3.49Å; H133-F172 AromaticContact CG-CG 3.36Å; H133-F172 AromaticContact ND1-CD2 3.38Å; H133-F172 WeakPolarHBondContact ND1-CD2 3.4Å; H133-F172 AromaticContact ND1-CG 3.59Å; Y138-F172 HydrophobicContact CD2-CD1 4.37Å; Y138-F172 AromaticContact CD2-CE1 3.6Å; Y138-F172 HydrophobicContact CD2-CE1 3.6Å; Y138-F172 HydrophobicContact CD2-CZ 4.24Å; Y138-F172 HydrophobicContact CE2-CD1 4.43Å; Y138-F172 HydrophobicContact CE2-CE1 4.07Å; Y138-F172 AromaticContact CG-CE1 3.96Å; Y138-F172 HydrophobicContact CG-CE1 3.96Å; S168-F172 WeakPolarHBondContact O-CB 3.44Å; S168-F172 PolarHBondContact O-N 2.8Å; V169-F172 WeakPolarHBondContact O-CB 3.34Å; V169-F172 PolarHBondContact O-N 3.34Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 3.4Å; F172-K174 VanDerWaalsContact C-N 3.28Å; F172-K174 PolarHBondContact O-N 3.15Å; F172-S175 PolarHBondContact O-N 3.21Å; F172-S175 VanDerWaalsContact O-N 3.11Å; F172-S175 PolarHBondContact O-OG 2.76Å; F172-R176 HydrophobicContact CD2-CG 4.39Å; F172-R176 HydrophobicContact CE2-CG 4.01Å; F172-R176 HydrophobicContact CZ-CG 4.11Å; F172-R176 WeakPolarHBondContact O-CG 3.44Å; F172-R176 PolarHBondContact O-N 2.97Å; F172-R176 VanDerWaalsContact O-N 3.15Å
173	I	90.5	Very high	88.9	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-38.3	179.5	-64.6	-62.9	0	0	0	111.2	Y138 L162 V169 L170 R176 I178 L223	Y138-I173 HydrophobicContact CD1-CD1 4.47Å; L162-I173 HydrophobicContact CD1-CD1 4.07Å; L162-I173 HydrophobicContact CD1-CG1 4.28Å; L162-I173 HydrophobicContact CD2-CD1 3.9Å; L162-I173 HydrophobicContact CD2-CG1 3.93Å; L162-I173 HydrophobicContact CD2-CG2 4.3Å; V169-I173 HydrophobicContact CG1-CG1 4.31Å; V169-I173 VanDerWaalsContact O-CG1 3.25Å; V169-I173 WeakPolarHBondContact O-CG1 3.43Å; V169-I173 PolarHBondContact O-N 2.88Å; L170-I173 PolarHBondContact O-N 3.03Å; I173-R176 PolarHBondContact O-N 3.22Å; I173-I178 HydrophobicContact CD1-CD1 3.99Å; I173-I178 HydrophobicContact CG2-CB 3.82Å; I173-I178 HydrophobicContact CG2-CD1 4.44Å; I173-I178 HydrophobicContact CG2-CG2 4.1Å; I173-I178 PolarHBondContact O-N 2.88Å; I173-L223 HydrophobicContact CG2-CD2 3.5Å
174	K	87.4	Confident	88.9	Confident	58 Å²	58	50.3 Å²	50.3	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-47.4	172.8	-73.1	172.6	-176.4	170.4	0	112.3	L170 E171 F172 R176 K177 N226	L170-K174 HydrophobicContact CD1-CD 4.44Å; L170-K174 HydrophobicContact CD1-CG 4.34Å; L170-K174 HydrophobicContact CG-CD 4.33Å; L170-K174 VanDerWaalsContact O-CG 3.3Å; L170-K174 WeakPolarHBondContact O-CG 3.4Å; L170-K174 PolarHBondContact O-N 2.82Å; E171-K174 WeakPolarHBondContact O-CB 3.49Å; E171-K174 PolarHBondContact O-N 3.1Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 PolarHBondContact OE1-NZ 3.35Å; E171-K174 IonicContact OE2-NZ 3.78Å; F172-K174 VanDerWaalsContact C-N 3.28Å; F172-K174 PolarHBondContact O-N 3.15Å; K174-R176 PolarHBondContact O-N 2.67Å; K174-K177 PolarHBondContact O-N 2.85Å; K174-N226 VanDerWaalsContact CE-CG 3.48Å; K174-N226 WeakPolarHBondContact CE-ND2 3.46Å
175	S	90.7	Very high	88.8	Confident	82 Å²	82	50.3 Å²	50.3	57%	0.573	24%	0.241	S	C	*	.	H	α-helix	trans	-59.3	-30.9	-179.4	78.8	0	0	0	0	112.2	E171 F172 K177	E171-S175 WeakPolarHBondContact O-CB 3.28Å; E171-S175 PolarHBondContact O-N 3.32Å; F172-S175 PolarHBondContact O-N 3.21Å; F172-S175 VanDerWaalsContact O-N 3.11Å; F172-S175 PolarHBondContact O-OG 2.76Å; S175-K177 VanDerWaalsContact C-N 3.26Å; S175-K177 PolarHBondContact O-N 2.97Å
176	R	90.8	Very high	88.6	Confident	135 Å²	135	47.8 Å²	47.8	51%	0.509	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.8	176.6	-60.5	-59.2	-177.5	179.5	-0	113.9	M131 F172 I173 K174 I178	M131-R176 HydrophobicContact SD-CB 4.46Å; M131-R176 HydrophobicContact SD-CG 3.91Å; F172-R176 HydrophobicContact CD2-CG 4.39Å; F172-R176 HydrophobicContact CE2-CG 4.01Å; F172-R176 HydrophobicContact CZ-CG 4.11Å; F172-R176 WeakPolarHBondContact O-CG 3.44Å; F172-R176 PolarHBondContact O-N 2.97Å; F172-R176 VanDerWaalsContact O-N 3.15Å; I173-R176 PolarHBondContact O-N 3.22Å; K174-R176 PolarHBondContact O-N 2.67Å; R176-I178 HydrophobicContact CB-CD1 3.58Å; R176-I178 HydrophobicContact CB-CG1 3.71Å; R176-I178 HydrophobicContact CG-CD1 4.38Å; R176-I178 PolarHBondContact O-N 3.02Å
177	K	88.8	Confident	88.5	Confident	175 Å²	175	46.1 Å²	46.1	76%	0.761	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.3	-177.4	-56.9	-179.8	-178.2	178.4	0	112.3	K174 S175 Y179	K174-K177 PolarHBondContact O-N 2.85Å; S175-K177 VanDerWaalsContact C-N 3.26Å; S175-K177 PolarHBondContact O-N 2.97Å; K177-Y179 WeakPolarHBondContact O-CD1 3.34Å; K177-Y179 VanDerWaalsContact O-CE1 3.28Å; K177-Y179 WeakPolarHBondContact O-CE1 3.48Å
178	I	88.1	Confident	88.2	Confident	15 Å²	15	41.3 Å²	41.3	8%	0.077	21%	0.205	C	C	.	.			trans	-88.6	125.4	178.6	-60.7	168.4	0	0	0	108.6	M131 V140 I173 R176 I240	M131-I178 HydrophobicContact CE-CD1 3.92Å; V140-I178 HydrophobicContact CG2-CD1 3.65Å; V140-I178 HydrophobicContact CG2-CG1 4.02Å; I173-I178 HydrophobicContact CD1-CD1 3.99Å; I173-I178 HydrophobicContact CG2-CB 3.82Å; I173-I178 HydrophobicContact CG2-CD1 4.44Å; I173-I178 HydrophobicContact CG2-CG2 4.1Å; I173-I178 PolarHBondContact O-N 2.88Å; R176-I178 HydrophobicContact CB-CD1 3.58Å; R176-I178 HydrophobicContact CB-CG1 3.71Å; R176-I178 HydrophobicContact CG-CD1 4.38Å; R176-I178 PolarHBondContact O-N 3.02Å; I178-I240 HydrophobicContact CG2-CD1 3.2Å; I178-I240 HydrophobicContact CG2-CG1 3.76Å
179	Y	86.8	Confident	87.8	Confident	112 Å²	112	47.5 Å²	47.5	44%	0.439	23%	0.226	S	C	.	.			trans	-151.8	171.3	-179	56.9	-94.5	0	0	0	110.2	K177 S181	K177-Y179 WeakPolarHBondContact O-CD1 3.34Å; K177-Y179 VanDerWaalsContact O-CE1 3.28Å; K177-Y179 WeakPolarHBondContact O-CE1 3.48Å; Y179-S181 VanDerWaalsContact C-N 3.28Å; Y179-S181 PolarHBondContact O-N 3.39Å; Y179-S181 PolarHBondContact O-OG 3.07Å
180	A	91.4	Very high	86.9	Confident	30 Å²	30	51.9 Å²	51.9	25%	0.248	25%	0.253	C	S	.	.	S	Bend	trans	50.6	46.4	-179.6	0	0	0	0	0	112.6	L223 Y224 R238	A180-L223 WeakPolarHBondContact CA-O 3.35Å; A180-L223 PolarHBondContact N-O 2.84Å; A180-Y224 HydrophobicContact CB-CD2 4.18Å; A180-R238 PolarHBondContact O-N 2.91Å; A180-R238 VanDerWaalsContact O-N 3.15Å
181	S	93.8	Very high	86	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.3	-174.3	-56	0	0	0	0	111.8	Y179 Y222 L223 R238	Y179-S181 VanDerWaalsContact C-N 3.28Å; Y179-S181 PolarHBondContact O-N 3.39Å; Y179-S181 PolarHBondContact O-OG 3.07Å; S181-Y222 CarbonylContact O-C 3.12Å; S181-Y222 VanDerWaalsContact O-CA 3.26Å; S181-Y222 WeakPolarHBondContact O-CA 3.37Å; S181-Y222 VanDerWaalsContact O-CB 3.31Å; S181-Y222 WeakPolarHBondContact O-CB 3.3Å; S181-L223 PolarHBondContact N-O 3.03Å; S181-L223 PolarHBondContact O-N 2.83Å; S181-R238 CarbonylContact C-O 3.49Å; S181-R238 WeakPolarHBondContact CA-O 3.41Å; S181-R238 WeakPolarHBondContact CB-O 3.47Å; S181-R238 WeakPolarHBondContact OG-CB 3.48Å
182	W	94.2	Very high	84.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	146.9	176.3	-71.1	128.4	0	0	0	112.3	E145 W147 L161 C220 Y222 A231 D232 E235 K237 R238	E145-W182 PolarHBondContact O-NE1 3.24Å; W147-W182 HydrophobicContact CB-CD2 4.04Å; W147-W182 HydrophobicContact CB-CE3 4.44Å; W147-W182 HydrophobicContact CB-CG 4.35Å; W147-W182 HydrophobicContact CB-CZ2 4.35Å; W147-W182 AromaticContact CD1-CD2 3.75Å; W147-W182 AromaticContact CD1-CE3 3.73Å; W147-W182 AromaticContact CD1-CG 3.85Å; W147-W182 HydrophobicContact CG-CD2 4.32Å; W147-W182 HydrophobicContact CG-CE3 4.49Å; W147-W182 HydrophobicContact CG-CG 4.46Å; L161-W182 HydrophobicContact CD2-CB 4.06Å; W182-C220 HydrophobicContact CE3-CB 4.07Å; W182-C220 HydrophobicContact CH2-CB 4.13Å; W182-C220 HydrophobicContact CZ3-CB 3.67Å; W182-C220 WeakPolarHBondContact CZ3-O 3.38Å; W182-Y222 HydrophobicContact CZ3-CD1 4.1Å; W182-Y222 HydrophobicContact CZ3-CG 4.31Å; W182-A231 HydrophobicContact CH2-CB 3.99Å; W182-A231 HydrophobicContact CZ3-CB 4.37Å; W182-D232 WeakPolarHBondContact CH2-O 3.47Å; W182-E235 HydrophobicContact CH2-CB 4.46Å; W182-E235 HydrophobicContact CZ2-CB 4.22Å; W182-E235 VanDerWaalsContact CZ2-O 3.25Å; W182-E235 WeakPolarHBondContact CZ2-O 3.37Å; W182-K237 HydrophobicContact CD2-CB 3.97Å; W182-K237 HydrophobicContact CD2-CD 4.28Å; W182-K237 HydrophobicContact CD2-CG 4.25Å; W182-K237 HydrophobicContact CE3-CD 4.22Å; W182-K237 HydrophobicContact CG-CB 4.1Å; W182-K237 HydrophobicContact CH2-CD 3.91Å; W182-K237 HydrophobicContact CH2-CG 4.14Å; W182-K237 HydrophobicContact CZ2-CB 4.15Å; W182-K237 HydrophobicContact CZ2-CD 3.98Å; W182-K237 HydrophobicContact CZ2-CG 3.68Å; W182-K237 HydrophobicContact CZ3-CD 4.02Å; W182-R238 PolarHBondContact N-O 3.27Å
183	L	91.8	Very high	83.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.298	C	S	.	.			trans	-113	152.4	173.3	-63.6	174.3	0	0	0	109.7	W147 L162 I164 L185 W206 G221 L223 V228	W147-L183 PolarHBondContact NE1-O 2.97Å; L162-L183 HydrophobicContact CB-CD2 4.34Å; L162-L183 HydrophobicContact CD2-CD2 3.83Å; L162-L183 HydrophobicContact CG-CD2 4.08Å; I164-L183 HydrophobicContact CD1-CD1 4.34Å; I164-L183 HydrophobicContact CD1-CD2 3.82Å; I164-L183 HydrophobicContact CG1-CD2 4.17Å; L183-L185 HydrophobicContact CB-CD1 4.1Å; L183-L185 HydrophobicContact CB-CG 4.03Å; L183-L185 HydrophobicContact CD1-CD1 3.92Å; L183-L185 PolarHBondContact O-N 2.88Å; L183-W206 HydrophobicContact CB-CZ3 4.39Å; L183-G221 WeakPolarHBondContact CB-O 3.42Å; L183-G221 PolarHBondContact N-O 2.91Å; L183-L223 HydrophobicContact CD1-CB 4.34Å; L183-L223 HydrophobicContact CD2-CB 4.19Å; L183-L223 HydrophobicContact CG-CB 4.32Å; L183-V228 HydrophobicContact CD1-CG1 4.24Å; L183-V228 HydrophobicContact CD1-CG2 3.94Å
184	G	89.8	Confident	82.6	Confident	5 Å²	5	61.4 Å²	61.4	5%	0.052	31%	0.312	C	S	.	.	S	Bend	trans	-74.3	35.7	175.1	0	0	0	0	0	114	L162 F207	L162-G184 PolarHBondContact O-N 3.33Å; G184-F207 PolarHBondContact O-N 2.87Å
185	L	83.6	Confident	81.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-81.3	148.5	176.8	-71	171.2	0	0	0	110.6	W147 L183 D205 W206 V228	W147-L185 WeakPolarHBondContact CZ2-O 3.4Å; L183-L185 HydrophobicContact CB-CD1 4.1Å; L183-L185 HydrophobicContact CB-CG 4.03Å; L183-L185 HydrophobicContact CD1-CD1 3.92Å; L183-L185 PolarHBondContact O-N 2.88Å; L185-D205 HydrophobicContact CD2-CB 3.93Å; L185-W206 HydrophobicContact CD2-CD2 4.01Å; L185-W206 HydrophobicContact CD2-CE3 3.55Å; L185-W206 HydrophobicContact CD2-CH2 3.63Å; L185-W206 HydrophobicContact CD2-CZ2 4.09Å; L185-W206 HydrophobicContact CD2-CZ3 3.36Å; L185-W206 HydrophobicContact CG-CE3 4.04Å; L185-W206 HydrophobicContact CG-CH2 4.01Å; L185-W206 HydrophobicContact CG-CZ3 3.53Å; L185-V228 HydrophobicContact CD1-CG1 3.43Å; L185-V228 VanDerWaalsContact CD1-CG1 3.43Å; L185-V228 HydrophobicContact CD1-CG2 4.43Å
186	S	78.8	Confident	80.9	Confident	35 Å²	35	66 Å²	66	25%	0.245	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62.3	130.2	175.1	-53.7	0	0	0	0	110.9	D205 F207	S186-D205 PolarHBondContact N-O 3.47Å; S186-D205 PolarHBondContact OG-O 2.93Å; S186-F207 WeakPolarHBondContact OG-CA 3.11Å; S186-F207 WeakPolarHBondContact OG-CB 3.06Å; S186-F207 WeakPolarHBondContact OG-CD2 3.38Å
187	P	82.7	Confident	79.8	Confident	20 Å²	20	60.6 Å²	60.6	13%	0.13	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-57	144.8	173.1	-23.1	32.6	0	0	0	111.7	W147 L214 M218	W147-P187 HydrophobicContact CE3-CG 4.42Å; W147-P187 HydrophobicContact CH2-CG 4.06Å; W147-P187 HydrophobicContact CZ2-CG 4.44Å; W147-P187 HydrophobicContact CZ3-CG 4.04Å; P187-L214 HydrophobicContact CB-CD2 3.57Å; P187-L214 HydrophobicContact CG-CD2 3.43Å; P187-L214 VanDerWaalsContact CG-CD2 3.43Å; P187-M218 HydrophobicContact CB-CB 4.29Å; P187-M218 HydrophobicContact CB-CE 3.68Å; P187-M218 HydrophobicContact CB-SD 4.09Å
188	R	78.7	Confident	78.5	Confident	39 Å²	39	56.2 Å²	56.2	15%	0.147	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-126	149	-175.4	-64.1	-173.5	169.2	178	-3.2	111.9	R195 D205 M218 Y219 Y230	R188-R195 VanDerWaalsContact NH1-CZ 3.32Å; R188-R195 VanDerWaalsContact NH1-NH2 3.12Å; R188-D205 IonicContact CZ-OD2 2.83Å; R188-D205 IonicContact NH2-OD1 3.62Å; R188-D205 PolarHBondContact NH2-OD1 3.47Å; R188-D205 IonicContact NH2-OD2 2.66Å; R188-D205 PolarHBondContact NH2-OD2 3Å; R188-M218 CarbonylContact O-C 3.6Å; R188-M218 WeakPolarHBondContact O-CA 3.38Å; R188-Y219 PolarHBondContact N-O 2.53Å; R188-Y219 PolarHBondContact O-N 3.02Å; R188-Y230 HydrophobicContact CG-CE1 4.3Å; R188-Y230 PolarHBondContact NH1-OH 3.31Å; R188-Y230 VanDerWaalsContact NH1-OH 3.09Å
189	K	79.1	Confident	77	Confident	172 Å²	172	63.2 Å²	63.2	75%	0.748	32%	0.317	S	S	*	.	S	Bend	trans	-81.3	-14.5	175.5	-65	-172.7	177.8	-176.3	0	114	M218	K189-M218 HydrophobicContact CG-CE 4.44Å
190	T	70.8	Confident	75.5	Confident	95 Å²	95	63 Å²	63	58%	0.583	33%	0.328	S	S	*	.	S	Bend	trans	-114.3	132	-176.3	54.3	0	0	0	0	111.1	T192	T190-T192 VanDerWaalsContact C-N 3.35Å; T190-T192 PolarHBondContact O-N 2.87Å; T190-T192 PolarHBondContact O-OG1 3.12Å
191	H	67.8	Low	74	Confident	123 Å²	123	62.1 Å²	62.1	57%	0.569	32%	0.319	S	S	*	.			trans	-67.9	94.6	169.5	-174.2	-108.6	0	0	0	108.5	Y219	H191-Y219 HydrophobicContact CB-CD1 4.31Å; H191-Y219 HydrophobicContact CB-CD2 4.25Å; H191-Y219 HydrophobicContact CB-CE1 3.97Å; H191-Y219 HydrophobicContact CB-CE2 3.89Å; H191-Y219 HydrophobicContact CB-CG 4.44Å; H191-Y219 AromaticContact CD2-CD1 3.8Å; H191-Y219 AromaticContact CD2-CE1 3.74Å
192	T	65.9	Low	72.3	Confident	31 Å²	31	63.6 Å²	63.6	19%	0.19	33%	0.326	C	S	.	.			trans	-82.2	141.3	179.1	-47.3	0	0	0	0	109.4	T190 S194	T190-T192 VanDerWaalsContact C-N 3.35Å; T190-T192 PolarHBondContact O-N 2.87Å; T190-T192 PolarHBondContact O-OG1 3.12Å; T192-S194 PolarHBondContact O-N 3.27Å
193	V	65.2	Low	70.5	Confident	118 Å²	118	68.7 Å²	68.7	72%	0.715	36%	0.362	S	S	*	.			trans	-53.1	135.8	170.6	-178.5	0	0	0	0	109.8	R195	V193-R195 PolarHBondContact O-N 3.26Å
194	S	69.4	Low	68.7	Low	43 Å²	43	73.1 Å²	73.1	30%	0.301	39%	0.393	S	S	.	.			trans	-43.5	127.6	176.7	68	0	0	0	0	110.7	T192 V228 N229	T192-S194 PolarHBondContact O-N 3.27Å; S194-V228 CarbonylContact C-O 3.54Å; S194-V228 WeakPolarHBondContact CA-O 2.96Å; S194-N229 WeakPolarHBondContact CB-OD1 3.23Å
195	R	71.3	Confident	67.2	Low	90 Å²	90	74.7 Å²	74.7	34%	0.34	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.8	177.8	-60.3	-174.1	-169.6	159.7	-3.7	109.7	R188 V193 I201 D205 V228	R188-R195 VanDerWaalsContact NH1-CZ 3.32Å; R188-R195 VanDerWaalsContact NH1-NH2 3.12Å; V193-R195 PolarHBondContact O-N 3.26Å; R195-I201 HydrophobicContact CB-CD1 3.61Å; R195-D205 IonicContact NH1-OD2 2.66Å; R195-V228 PolarHBondContact N-O 2.9Å; R195-V228 PolarHBondContact O-N 2.82Å
196	K	70.6	Confident	66.1	Low	147 Å²	147	76.7 Å²	76.7	64%	0.639	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	138	168.7	-162.3	176.6	-178.7	-174.9	0	107.3	D198 I201	K196-D198 PolarHBondContact O-N 2.03Å; K196-I201 VanDerWaalsContact O-CD1 3.23Å; K196-I201 WeakPolarHBondContact O-CD1 2.82Å
197	L	68	Low	65.3	Low	21 Å²	21	77.5 Å²	77.5	11%	0.11	41%	0.407	C	S	.	.			trans	-66.1	108	169	-91.3	95.9	0	0	0	108.6	I164 L170 L223 V228	I164-L197 HydrophobicContact CB-CD2 3.9Å; I164-L197 HydrophobicContact CD1-CD2 3.56Å; I164-L197 HydrophobicContact CG1-CD2 4.3Å; I164-L197 HydrophobicContact CG2-CD2 3.42Å; I164-L197 VanDerWaalsContact CG2-CD2 3.42Å; L170-L197 HydrophobicContact CB-CD2 4.47Å; L170-L197 HydrophobicContact CD1-CD2 3.77Å; L170-L197 HydrophobicContact CD2-CB 3.64Å; L170-L197 HydrophobicContact CD2-CD2 3.73Å; L170-L197 HydrophobicContact CD2-CG 4.28Å; L170-L197 HydrophobicContact CG-CD2 4.17Å; L197-L223 HydrophobicContact CD1-CD1 4.1Å; L197-V228 HydrophobicContact CD1-CB 4.44Å; L197-V228 HydrophobicContact CD1-CG2 3.43Å; L197-V228 VanDerWaalsContact CD1-CG2 3.43Å; L197-V228 HydrophobicContact CG-CG2 3.98Å
198	D	61.2	Low	63.8	Low	83 Å²	83	82.6 Å²	82.6	44%	0.444	44%	0.438	S	S	.	.			trans	-116.1	178.7	168.3	58.7	22	0	0	0	109.6	K196 T200 I201 I202	K196-D198 PolarHBondContact O-N 2.03Å; D198-T200 PolarHBondContact O-N 3Å; D198-T200 VanDerWaalsContact O-N 3.1Å; D198-T200 WeakPolarHBondContact OD1-CB 3.37Å; D198-T200 PolarHBondContact OD1-N 3.28Å; D198-T200 VanDerWaalsContact OD1-N 3.14Å; D198-T200 PolarHBondContact OD1-OG1 3.15Å; D198-I201 PolarHBondContact OD1-N 3.06Å; D198-I202 WeakPolarHBondContact O-CG1 3.44Å
199	E	56.1	Low	62.5	Low	162 Å²	162	91.6 Å²	91.6	76%	0.757	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.9	-177.4	-66.9	176.3	178.9	0	0	113.5
200	T	56.1	Low	61.2	Low	107 Å²	107	89.8 Å²	89.8	66%	0.656	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-32.1	-171.5	-29.4	0	0	0	0	113.1	D198 I202	D198-T200 PolarHBondContact O-N 3Å; D198-T200 VanDerWaalsContact O-N 3.1Å; D198-T200 WeakPolarHBondContact OD1-CB 3.37Å; D198-T200 PolarHBondContact OD1-N 3.28Å; D198-T200 VanDerWaalsContact OD1-N 3.14Å; D198-T200 PolarHBondContact OD1-OG1 3.15Å; T200-I202 PolarHBondContact O-N 2.77Å
201	I	58.6	Low	60.4	Low	12 Å²	12	86.3 Å²	86.3	6%	0.062	45%	0.449	C	S	.	.	H	α-helix	trans	-69	-20.3	176.2	-65.2	173.4	0	0	0	111.9	R195 K196 D198 S203 V228	R195-I201 HydrophobicContact CB-CD1 3.61Å; K196-I201 VanDerWaalsContact O-CD1 3.23Å; K196-I201 WeakPolarHBondContact O-CD1 2.82Å; D198-I201 PolarHBondContact OD1-N 3.06Å; I201-S203 VanDerWaalsContact C-N 3.25Å; I201-S203 PolarHBondContact O-N 2.79Å; I201-S203 VanDerWaalsContact O-N 3.15Å; I201-V228 HydrophobicContact CG2-CG2 4.43Å
202	I	59.4	Low	59.9	Low	31 Å²	31	86.9 Å²	86.9	16%	0.159	46%	0.456	C	S	.	.	H	α-helix	trans	-67.5	-19.2	-164.5	-70.2	-175.2	0	0	0	113.7	K165 D198 T200 W206	K165-I202 WeakPolarHBondContact O-CG2 3.39Å; D198-I202 WeakPolarHBondContact O-CG1 3.44Å; T200-I202 PolarHBondContact O-N 2.77Å; I202-W206 PolarHBondContact O-NE1 3.34Å
203	S	55.7	Low	59.5	Low	107 Å²	107	92.3 Å²	92.3	75%	0.748	48%	0.484	S	S	*	.	H	α-helix	trans	-125	-27.5	-168.8	-169.1	0	0	0	0	116.3	I201	I201-S203 VanDerWaalsContact C-N 3.25Å; I201-S203 PolarHBondContact O-N 2.79Å; I201-S203 VanDerWaalsContact O-N 3.15Å
204	S	53.4	Low	59.5	Low	93 Å²	93	88.5 Å²	88.5	65%	0.65	46%	0.46	S	S	*	.	H	α-helix	trans	-106.4	-8.4	-162.3	55.5	0	0	0	0	117.8
205	D	58.3	Low	59.3	Low	39 Å²	39	91.4 Å²	91.4	21%	0.209	47%	0.472	C	S	.	.			trans	-114.1	2.5	-169.9	-78.8	-40.3	0	0	0	115.6	L185 S186 R188 R195	L185-D205 HydrophobicContact CD2-CB 3.93Å; S186-D205 PolarHBondContact N-O 3.47Å; S186-D205 PolarHBondContact OG-O 2.93Å; R188-D205 IonicContact CZ-OD2 2.83Å; R188-D205 IonicContact NH2-OD1 3.62Å; R188-D205 PolarHBondContact NH2-OD1 3.47Å; R188-D205 IonicContact NH2-OD2 2.66Å; R188-D205 PolarHBondContact NH2-OD2 3Å; R195-D205 IonicContact NH1-OD2 2.66Å
206	W	61.8	Low	59	Low	43 Å²	43	93 Å²	93	16%	0.163	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-83.3	124.1	-170.5	-55.5	108.1	0	0	0	113	K163 I164 L183 L185 I202	K163-W206 VanDerWaalsContact CA-CZ3 3.48Å; K163-W206 HydrophobicContact CB-CD2 3.83Å; K163-W206 HydrophobicContact CB-CE3 3.6Å; K163-W206 HydrophobicContact CB-CG 4.41Å; K163-W206 HydrophobicContact CB-CH2 4.44Å; K163-W206 HydrophobicContact CB-CZ3 3.93Å; K163-W206 HydrophobicContact CD-CB 4.15Å; K163-W206 HydrophobicContact CD-CE3 4.34Å; K163-W206 HydrophobicContact CD-CG 4.44Å; K163-W206 HydrophobicContact CG-CD2 4.13Å; K163-W206 HydrophobicContact CG-CE3 3.63Å; K163-W206 HydrophobicContact CG-CZ3 4.19Å; I164-W206 HydrophobicContact CB-CH2 4.09Å; I164-W206 HydrophobicContact CB-CZ2 4.12Å; I164-W206 HydrophobicContact CG1-CH2 4.48Å; I164-W206 WeakPolarHBondContact O-CZ2 3.38Å; L183-W206 HydrophobicContact CB-CZ3 4.39Å; L185-W206 HydrophobicContact CD2-CD2 4.01Å; L185-W206 HydrophobicContact CD2-CE3 3.55Å; L185-W206 HydrophobicContact CD2-CH2 3.63Å; L185-W206 HydrophobicContact CD2-CZ2 4.09Å; L185-W206 HydrophobicContact CD2-CZ3 3.36Å; L185-W206 HydrophobicContact CG-CE3 4.04Å; L185-W206 HydrophobicContact CG-CH2 4.01Å; L185-W206 HydrophobicContact CG-CZ3 3.53Å; I202-W206 PolarHBondContact O-NE1 3.34Å
207	F	60.7	Low	59.2	Low	51 Å²	51	89.1 Å²	89.1	22%	0.224	48%	0.478	C	S	.	.			trans	-69.2	145.6	-160.9	-173.2	-105.2	0	0	0	116.6	G184 S186 N210 T211	G184-F207 PolarHBondContact O-N 2.87Å; S186-F207 WeakPolarHBondContact OG-CA 3.11Å; S186-F207 WeakPolarHBondContact OG-CB 3.06Å; S186-F207 WeakPolarHBondContact OG-CD2 3.38Å; F207-N210 VanDerWaalsContact CE1-N 3.34Å; F207-N210 WeakPolarHBondContact CZ-O 3.43Å; F207-T211 HydrophobicContact CD1-CG2 4.34Å; F207-T211 HydrophobicContact CE1-CG2 3.48Å; F207-T211 VanDerWaalsContact CE1-CG2 3.48Å; F207-T211 HydrophobicContact CZ-CG2 3.85Å
208	T	51.5	Low	60.1	Low	128 Å²	128	89.6 Å²	89.6	79%	0.785	48%	0.48	S	S	*	.			trans	-108.3	95.7	170.9	-48.3	0	0	0	0	110.6	N210	T208-N210 PolarHBondContact O-N 2.95Å
209	R	50.8	Low	61.3	Low	228 Å²	228	89 Å²	89	86%	0.86	47%	0.472	S	S	*	.	S	Bend	trans	46.6	-4.2	150.8	-125.7	180	-162.2	167.2	5.5	125.8
210	N	51.8	Low	62.9	Low	133 Å²	133	81.3 Å²	81.3	71%	0.711	44%	0.436	S	S	*	.			trans	-115.6	86.8	179.6	-97.8	-3.2	0	0	0	114.9	F207 T208	F207-N210 VanDerWaalsContact CE1-N 3.34Å; F207-N210 WeakPolarHBondContact CZ-O 3.43Å; T208-N210 PolarHBondContact O-N 2.95Å
211	T	54.2	Low	64.5	Low	23 Å²	23	76.2 Å²	76.2	14%	0.141	41%	0.405	C	S	.	.			trans	-95.1	14.5	-177.5	52.5	0	0	0	0	114.6	W147 F207 D213	W147-T211 HydrophobicContact CH2-CG2 3.88Å; W147-T211 HydrophobicContact CZ3-CG2 3.62Å; F207-T211 HydrophobicContact CD1-CG2 4.34Å; F207-T211 HydrophobicContact CE1-CG2 3.48Å; F207-T211 VanDerWaalsContact CE1-CG2 3.48Å; F207-T211 HydrophobicContact CZ-CG2 3.85Å; T211-D213 PolarHBondContact O-N 3.33Å
212	N	57	Low	66	Low	135 Å²	135	77.5 Å²	77.5	72%	0.722	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.2	-174.7	-69.5	-16.4	0	0	0	114.2
213	D	58.3	Low	67.4	Low	144 Å²	144	76.2 Å²	76.2	77%	0.77	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	39.8	-174.4	-59.1	-37.2	0	0	0	113.2	T211 N215	T211-D213 PolarHBondContact O-N 3.33Å; D213-N215 PolarHBondContact O-N 2.81Å
214	L	65.6	Low	69	Low	39 Å²	39	76.1 Å²	76.1	20%	0.204	39%	0.387	C	S	.	.			trans	-69.6	99.6	167.5	-77.5	172	0	0	0	109.1	W147 Q148 P187 M218 C233	W147-L214 HydrophobicContact CE3-CD1 3.8Å; W147-L214 HydrophobicContact CZ3-CD1 3.96Å; Q148-L214 HydrophobicContact CB-CD1 3.67Å; Q148-L214 HydrophobicContact CG-CD1 3.87Å; P187-L214 HydrophobicContact CB-CD2 3.57Å; P187-L214 HydrophobicContact CG-CD2 3.43Å; P187-L214 VanDerWaalsContact CG-CD2 3.43Å; L214-M218 HydrophobicContact CD2-CB 4.34Å; L214-M218 HydrophobicContact CD2-SD 3.88Å; L214-C233 HydrophobicContact CD2-CB 4.49Å
215	N	64.4	Low	70.3	Confident	104 Å²	104	76.9 Å²	76.9	56%	0.556	38%	0.384	S	S	*	.			trans	-84.6	156.1	171.3	-167.2	16	0	0	0	110.3	D213 S217 M218	D213-N215 PolarHBondContact O-N 2.81Å; N215-S217 PolarHBondContact ND2-OG 2.89Å; N215-S217 PolarHBondContact O-N 3.24Å; N215-M218 PolarHBondContact O-N 3.38Å
216	D	64.8	Low	71.1	Confident	124 Å²	124	78.7 Å²	78.7	66%	0.663	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	6.1	-179.9	-65.3	-20.8	0	0	0	114.7
217	S	75.8	Confident	72.1	Confident	64 Å²	64	82 Å²	82	45%	0.448	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	10.9	178.6	52.6	0	0	0	0	113.1	N215	N215-S217 PolarHBondContact ND2-OG 2.89Å; N215-S217 PolarHBondContact O-N 3.24Å
218	M	86.6	Confident	73.2	Confident	31 Å²	31	79.7 Å²	79.7	15%	0.153	40%	0.396	C	S	.	.			trans	-97.3	142.3	179.2	-61	-164.5	88.8	0	0	112.1	P187 R188 K189 L214 N215 C233	P187-M218 HydrophobicContact CB-CB 4.29Å; P187-M218 HydrophobicContact CB-CE 3.68Å; P187-M218 HydrophobicContact CB-SD 4.09Å; R188-M218 CarbonylContact O-C 3.6Å; R188-M218 WeakPolarHBondContact O-CA 3.38Å; K189-M218 HydrophobicContact CG-CE 4.44Å; L214-M218 HydrophobicContact CD2-CB 4.34Å; L214-M218 HydrophobicContact CD2-SD 3.88Å; N215-M218 PolarHBondContact O-N 3.38Å; M218-C233 VanDerWaalsContact C-SG 3.57Å; M218-C233 PolarHBondContact O-N 2.77Å; M218-C233 PolarHBondContact O-SG 3.09Å
219	Y	87.4	Confident	74.9	Confident	71 Å²	71	74.9 Å²	74.9	28%	0.278	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.9	176.2	-60.1	-85.9	0	0	0	110.7	R188 H191 A231	R188-Y219 PolarHBondContact N-O 2.53Å; R188-Y219 PolarHBondContact O-N 3.02Å; H191-Y219 HydrophobicContact CB-CD1 4.31Å; H191-Y219 HydrophobicContact CB-CD2 4.25Å; H191-Y219 HydrophobicContact CB-CE1 3.97Å; H191-Y219 HydrophobicContact CB-CE2 3.89Å; H191-Y219 HydrophobicContact CB-CG 4.44Å; H191-Y219 AromaticContact CD2-CD1 3.8Å; H191-Y219 AromaticContact CD2-CE1 3.74Å; Y219-A231 CarbonylContact C-O 3.57Å; Y219-A231 WeakPolarHBondContact CA-O 3.35Å
220	C	88.9	Confident	76.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.5	-179.6	-76.6	0	0	0	0	110.7	W147 W182 Y230 A231 C233	W147-C220 HydrophobicContact CB-CB 3.83Å; W147-C220 VanDerWaalsContact CB-SG 3.54Å; W147-C220 HydrophobicContact CD2-CB 4.33Å; W147-C220 VanDerWaalsContact CD2-SG 3.52Å; W147-C220 HydrophobicContact CG-CB 3.62Å; W182-C220 HydrophobicContact CE3-CB 4.07Å; W182-C220 HydrophobicContact CH2-CB 4.13Å; W182-C220 HydrophobicContact CZ3-CB 3.67Å; W182-C220 WeakPolarHBondContact CZ3-O 3.38Å; C220-Y230 WeakPolarHBondContact O-CA 3.18Å; C220-A231 PolarHBondContact N-O 3.05Å; C220-A231 PolarHBondContact O-N 3.15Å; C220-C233 HydrophobicContact CB-CB 3.95Å; C220-C233 WeakPolarHBondContact CB-SG 3.15Å; C220-C233 PolarHBondContact N-SG 3.32Å; C220-C233 WeakPolarHBondContact SG-CB 3.44Å; C220-C233 CovalentContact SG-SG 2.03Å; C220-C233 PolarHBondContact SG-SG 3.39Å
221	G	88.9	Confident	78.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.2	-176.8	0	0	0	0	0	112	L183 N229	L183-G221 WeakPolarHBondContact CB-O 3.42Å; L183-G221 PolarHBondContact N-O 2.91Å; G221-N229 CarbonylContact C-O 3.55Å; G221-N229 WeakPolarHBondContact CA-O 3.21Å
222	Y	90.8	Very high	80.2	Confident	40 Å²	40	59.5 Å²	59.5	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.8	174.6	73.2	-79.3	0	0	0	111.9	S181 W182 Y224 N229 A231 K237	S181-Y222 CarbonylContact O-C 3.12Å; S181-Y222 VanDerWaalsContact O-CA 3.26Å; S181-Y222 WeakPolarHBondContact O-CA 3.37Å; S181-Y222 VanDerWaalsContact O-CB 3.31Å; S181-Y222 WeakPolarHBondContact O-CB 3.3Å; W182-Y222 HydrophobicContact CZ3-CD1 4.1Å; W182-Y222 HydrophobicContact CZ3-CG 4.31Å; Y222-Y224 VanDerWaalsContact CE2-CB 3.47Å; Y222-Y224 HydrophobicContact CE2-CG 4.17Å; Y222-N229 HydrophobicContact CD1-CB 3.87Å; Y222-N229 VanDerWaalsContact CD1-O 3.28Å; Y222-N229 WeakPolarHBondContact CD1-O 3.25Å; Y222-N229 HydrophobicContact CD2-CB 4.43Å; Y222-N229 HydrophobicContact CE1-CB 3.3Å; Y222-N229 HydrophobicContact CE2-CB 3.96Å; Y222-N229 HydrophobicContact CG-CB 4.4Å; Y222-N229 PolarHBondContact N-O 2.83Å; Y222-N229 PolarHBondContact O-N 2.7Å; Y222-A231 HydrophobicContact CD1-CB 3.79Å; Y222-A231 HydrophobicContact CE1-CB 3.48Å; Y222-A231 VanDerWaalsContact CE1-CB 3.48Å; Y222-K237 HydrophobicContact CD1-CD 4.04Å; Y222-K237 VanDerWaalsContact CD1-CE 3.49Å; Y222-K237 HydrophobicContact CD2-CD 3.53Å; Y222-K237 HydrophobicContact CE2-CD 4.12Å; Y222-K237 HydrophobicContact CG-CD 3.47Å; Y222-K237 VanDerWaalsContact CG-CD 3.47Å; Y222-K237 VanDerWaalsContact CG-CE 3.47Å
223	L	89.4	Confident	81.8	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.3	175.6	-176.8	67.5	0	0	0	110.1	I164 I173 A180 S181 L183 L197	I164-L223 HydrophobicContact CD1-CD1 4.25Å; I173-L223 HydrophobicContact CG2-CD2 3.5Å; A180-L223 WeakPolarHBondContact CA-O 3.35Å; A180-L223 PolarHBondContact N-O 2.84Å; S181-L223 PolarHBondContact N-O 3.03Å; S181-L223 PolarHBondContact O-N 2.83Å; L183-L223 HydrophobicContact CD1-CB 4.34Å; L183-L223 HydrophobicContact CD2-CB 4.19Å; L183-L223 HydrophobicContact CG-CB 4.32Å; L197-L223 HydrophobicContact CD1-CD1 4.1Å
224	Y	88.3	Confident	83.4	Confident	105 Å²	105	50.1 Å²	50.1	41%	0.412	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	134	170.5	-176.2	-101.9	0	0	0	110.9	A180 Y222 N226 R227 N229	A180-Y224 HydrophobicContact CB-CD2 4.18Å; Y222-Y224 VanDerWaalsContact CE2-CB 3.47Å; Y222-Y224 HydrophobicContact CE2-CG 4.17Å; Y224-N226 PolarHBondContact O-N 2.91Å; Y224-R227 PolarHBondContact N-O 3.31Å; Y224-R227 WeakPolarHBondContact O-CB 3.48Å; Y224-R227 PolarHBondContact O-N 3.37Å; Y224-N229 PolarHBondContact O-ND2 3.29Å
225	N	81.9	Confident	84.7	Confident	110 Å²	110	52.4 Å²	52.4	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	46.1	-176.3	-70.3	-8.8	0	0	0	113.5	R227	N225-R227 PolarHBondContact O-N 3.45Å
226	N	75.3	Confident	86.1	Confident	77 Å²	77	51.5 Å²	51.5	41%	0.412	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	26.7	179.5	-55.3	-9.9	0	0	0	114.2	K174 Y224	K174-N226 VanDerWaalsContact CE-CG 3.48Å; K174-N226 WeakPolarHBondContact CE-ND2 3.46Å; Y224-N226 PolarHBondContact O-N 2.91Å
227	R	80.8	Confident	87.6	Confident	112 Å²	112	46.8 Å²	46.8	42%	0.423	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.9	176.7	-63.4	-178.6	175.8	-134.4	0.5	110.2	Y224 N225 N229	Y224-R227 PolarHBondContact N-O 3.31Å; Y224-R227 WeakPolarHBondContact O-CB 3.48Å; Y224-R227 PolarHBondContact O-N 3.37Å; N225-R227 PolarHBondContact O-N 3.45Å; R227-N229 PolarHBondContact O-ND2 3.01Å
228	V	85.3	Confident	88.5	Confident	2 Å²	2	48 Å²	48	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.3	165.5	-178	0	0	0	0	107	L183 L185 S194 R195 L197 I201 Y230	L183-V228 HydrophobicContact CD1-CG1 4.24Å; L183-V228 HydrophobicContact CD1-CG2 3.94Å; L185-V228 HydrophobicContact CD1-CG1 3.43Å; L185-V228 VanDerWaalsContact CD1-CG1 3.43Å; L185-V228 HydrophobicContact CD1-CG2 4.43Å; S194-V228 CarbonylContact C-O 3.54Å; S194-V228 WeakPolarHBondContact CA-O 2.96Å; R195-V228 PolarHBondContact N-O 2.9Å; R195-V228 PolarHBondContact O-N 2.82Å; L197-V228 HydrophobicContact CD1-CB 4.44Å; L197-V228 HydrophobicContact CD1-CG2 3.43Å; L197-V228 VanDerWaalsContact CD1-CG2 3.43Å; L197-V228 HydrophobicContact CG-CG2 3.98Å; I201-V228 HydrophobicContact CG2-CG2 4.43Å; V228-Y230 HydrophobicContact CG1-CE2 3.91Å
229	N	87	Confident	89	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	160.6	172.4	-63.6	-86.5	0	0	0	108.3	S194 G221 Y222 Y224 R227	S194-N229 WeakPolarHBondContact CB-OD1 3.23Å; G221-N229 CarbonylContact C-O 3.55Å; G221-N229 WeakPolarHBondContact CA-O 3.21Å; Y222-N229 HydrophobicContact CD1-CB 3.87Å; Y222-N229 VanDerWaalsContact CD1-O 3.28Å; Y222-N229 WeakPolarHBondContact CD1-O 3.25Å; Y222-N229 HydrophobicContact CD2-CB 4.43Å; Y222-N229 HydrophobicContact CE1-CB 3.3Å; Y222-N229 HydrophobicContact CE2-CB 3.96Å; Y222-N229 HydrophobicContact CG-CB 4.4Å; Y222-N229 PolarHBondContact N-O 2.83Å; Y222-N229 PolarHBondContact O-N 2.7Å; Y224-N229 PolarHBondContact O-ND2 3.29Å; R227-N229 PolarHBondContact O-ND2 3.01Å
230	Y	88	Confident	89.4	Confident	11 Å²	11	43.2 Å²	43.2	4%	0.043	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.6	176.8	-69.8	-90.5	0	0	0	108.1	R188 C220 V228	R188-Y230 HydrophobicContact CG-CE1 4.3Å; R188-Y230 PolarHBondContact NH1-OH 3.31Å; R188-Y230 VanDerWaalsContact NH1-OH 3.09Å; C220-Y230 WeakPolarHBondContact O-CA 3.18Å; V228-Y230 HydrophobicContact CG1-CE2 3.91Å
231	A	89.7	Confident	89.7	Confident	6 Å²	6	43.2 Å²	43.2	5%	0.05	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	163.8	178.3	0	0	0	0	0	108.3	W182 Y219 C220 Y222 C233	W182-A231 HydrophobicContact CH2-CB 3.99Å; W182-A231 HydrophobicContact CZ3-CB 4.37Å; Y219-A231 CarbonylContact C-O 3.57Å; Y219-A231 WeakPolarHBondContact CA-O 3.35Å; C220-A231 PolarHBondContact N-O 3.05Å; C220-A231 PolarHBondContact O-N 3.15Å; Y222-A231 HydrophobicContact CD1-CB 3.79Å; Y222-A231 HydrophobicContact CE1-CB 3.48Å; Y222-A231 VanDerWaalsContact CE1-CB 3.48Å; A231-C233 PolarHBondContact O-N 3.04Å
232	D	90.9	Very high	90.1	Very high	45 Å²	45	43.4 Å²	43.4	24%	0.241	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	132.6	174.6	-167.7	-47.1	0	0	0	109.3	W182 T234 E235	W182-D232 WeakPolarHBondContact CH2-O 3.47Å; D232-T234 PolarHBondContact O-N 2.74Å; D232-T234 VanDerWaalsContact O-N 3.12Å; D232-T234 WeakPolarHBondContact OD1-CB 3.31Å; D232-T234 WeakPolarHBondContact OD1-CG2 3.26Å; D232-T234 PolarHBondContact OD1-N 2.92Å; D232-T234 PolarHBondContact OD1-OG1 3.41Å; D232-E235 HydrophobicContact CB-CG 4.23Å; D232-E235 WeakPolarHBondContact O-CB 3.25Å; D232-E235 PolarHBondContact O-N 2.66Å
233	C	89.8	Confident	90.3	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.054	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.3	-180	-66.1	0	0	0	0	113.2	W147 L214 M218 C220 A231	W147-C233 HydrophobicContact CB-CB 4.38Å; W147-C233 PolarHBondContact N-O 2.87Å; W147-C233 VanDerWaalsContact N-O 3.07Å; L214-C233 HydrophobicContact CD2-CB 4.49Å; M218-C233 VanDerWaalsContact C-SG 3.57Å; M218-C233 PolarHBondContact O-N 2.77Å; M218-C233 PolarHBondContact O-SG 3.09Å; C220-C233 HydrophobicContact CB-CB 3.95Å; C220-C233 WeakPolarHBondContact CB-SG 3.15Å; C220-C233 PolarHBondContact N-SG 3.32Å; C220-C233 WeakPolarHBondContact SG-CB 3.44Å; C220-C233 CovalentContact SG-SG 2.03Å; C220-C233 PolarHBondContact SG-SG 3.39Å; A231-C233 PolarHBondContact O-N 3.04Å
234	T	91.2	Very high	90.4	Very high	73 Å²	73	49.2 Å²	49.2	45%	0.448	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.7	176.3	66	0	0	0	0	113.6	T146 D232	T146-T234 WeakPolarHBondContact CG2-O 3.48Å; D232-T234 PolarHBondContact O-N 2.74Å; D232-T234 VanDerWaalsContact O-N 3.12Å; D232-T234 WeakPolarHBondContact OD1-CB 3.31Å; D232-T234 WeakPolarHBondContact OD1-CG2 3.26Å; D232-T234 PolarHBondContact OD1-N 2.92Å; D232-T234 PolarHBondContact OD1-OG1 3.41Å
235	E	93.1	Very high	90.6	Very high	87 Å²	87	45.2 Å²	45.2	41%	0.407	23%	0.229	S	C	.	.	S	Bend	trans	-62.4	155.3	171.5	-77.3	-178.4	-138.3	0	0	111.1	T146 W182 D232 K237	T146-E235 WeakPolarHBondContact CA-O 3.28Å; W182-E235 HydrophobicContact CH2-CB 4.46Å; W182-E235 HydrophobicContact CZ2-CB 4.22Å; W182-E235 VanDerWaalsContact CZ2-O 3.25Å; W182-E235 WeakPolarHBondContact CZ2-O 3.37Å; D232-E235 HydrophobicContact CB-CG 4.23Å; D232-E235 WeakPolarHBondContact O-CB 3.25Å; D232-E235 PolarHBondContact O-N 2.66Å; E235-K237 IonicContact OE2-NZ 2.69Å; E235-K237 PolarHBondContact OE2-NZ 3.41Å
236	T	95.4	Very high	90.9	Very high	86 Å²	86	45 Å²	45	53%	0.528	23%	0.228	S	C	.	.			trans	-98.2	127.7	175.3	60.8	0	0	0	0	111.1	E145	E145-T236 WeakPolarHBondContact O-CA 2.98Å
237	K	95.3	Very high	91.1	Very high	25 Å²	25	46.5 Å²	46.5	11%	0.109	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	163.9	173.2	-57.2	-163.8	-165.7	-54.5	0	110.6	P144 E145 W182 Y222 E235	P144-K237 CarbonylContact C-O 3.44Å; P144-K237 WeakPolarHBondContact CA-O 3.39Å; E145-K237 PolarHBondContact N-O 2.92Å; E145-K237 PolarHBondContact O-N 3.22Å; W182-K237 HydrophobicContact CD2-CB 3.97Å; W182-K237 HydrophobicContact CD2-CD 4.28Å; W182-K237 HydrophobicContact CD2-CG 4.25Å; W182-K237 HydrophobicContact CE3-CD 4.22Å; W182-K237 HydrophobicContact CG-CB 4.1Å; W182-K237 HydrophobicContact CH2-CD 3.91Å; W182-K237 HydrophobicContact CH2-CG 4.14Å; W182-K237 HydrophobicContact CZ2-CB 4.15Å; W182-K237 HydrophobicContact CZ2-CD 3.98Å; W182-K237 HydrophobicContact CZ2-CG 3.68Å; W182-K237 HydrophobicContact CZ3-CD 4.02Å; Y222-K237 HydrophobicContact CD1-CD 4.04Å; Y222-K237 VanDerWaalsContact CD1-CE 3.49Å; Y222-K237 HydrophobicContact CD2-CD 3.53Å; Y222-K237 HydrophobicContact CE2-CD 4.12Å; Y222-K237 HydrophobicContact CG-CD 3.47Å; Y222-K237 VanDerWaalsContact CG-CD 3.47Å; Y222-K237 VanDerWaalsContact CG-CE 3.47Å; E235-K237 IonicContact OE2-NZ 2.69Å; E235-K237 PolarHBondContact OE2-NZ 3.41Å
238	R	95.7	Very high	91	Very high	90 Å²	90	42.3 Å²	42.3	34%	0.34	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	157.5	177.3	-69.7	-179.7	-176.8	164.8	4.2	110.6	A180 S181 W182	A180-R238 PolarHBondContact O-N 2.91Å; A180-R238 VanDerWaalsContact O-N 3.15Å; S181-R238 CarbonylContact C-O 3.49Å; S181-R238 WeakPolarHBondContact CA-O 3.41Å; S181-R238 WeakPolarHBondContact CB-O 3.47Å; S181-R238 WeakPolarHBondContact OG-CB 3.48Å; W182-R238 PolarHBondContact N-O 3.27Å
239	I	95.6	Very high	90.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.9	-175.8	-41	172	0	0	0	108.4	V140 I141 E145 S150 L153 L161	V140-I239 CarbonylContact C-O 3.53Å; V140-I239 WeakPolarHBondContact CA-O 3.48Å; I141-I239 HydrophobicContact CB-CB 4Å; I141-I239 HydrophobicContact CB-CD1 4.16Å; I141-I239 HydrophobicContact CB-CG1 4.39Å; I141-I239 HydrophobicContact CD1-CB 4.36Å; I141-I239 HydrophobicContact CD1-CD1 4.24Å; I141-I239 HydrophobicContact CD1-CG2 4.3Å; I141-I239 HydrophobicContact CG1-CB 4.48Å; I141-I239 HydrophobicContact CG2-CD1 4.25Å; I141-I239 PolarHBondContact N-O 2.93Å; I141-I239 PolarHBondContact O-N 3.2Å; E145-I239 HydrophobicContact CB-CD1 4.02Å; E145-I239 HydrophobicContact CG-CD1 4.15Å; S150-I239 WeakPolarHBondContact OG-CG1 3.32Å; L153-I239 HydrophobicContact CB-CD1 4.43Å; L153-I239 HydrophobicContact CD1-CD1 3.43Å; L153-I239 VanDerWaalsContact CD1-CD1 3.43Å; L161-I239 HydrophobicContact CD2-CG2 3.8Å
240	I	95.9	Very high	90.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.6	166.7	-51.1	155.3	0	0	0	106.5	I139 V140 L161 L162 I178	I139-I240 WeakPolarHBondContact O-CA 3.37Å; V140-I240 HydrophobicContact CG2-CG1 4.4Å; L161-I240 WeakPolarHBondContact CA-O 3.39Å; L162-I240 HydrophobicContact CB-CB 3.86Å; L162-I240 HydrophobicContact CB-CG2 3.88Å; L162-I240 HydrophobicContact CD2-CB 4.31Å; L162-I240 HydrophobicContact CD2-CD1 3.58Å; L162-I240 HydrophobicContact CD2-CG2 4.15Å; L162-I240 HydrophobicContact CG-CG2 4.4Å; L162-I240 PolarHBondContact N-O 3.15Å; I178-I240 HydrophobicContact CG2-CD1 3.2Å; I178-I240 HydrophobicContact CG2-CG1 3.76Å
241	C	96	Very high	89.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.9	173.2	-51.3	0	0	0	0	109.6	W130 Y138 I139 C154 A159 S160	W130-C241 HydrophobicContact CH2-CB 4.06Å; W130-C241 HydrophobicContact CZ3-CB 4.35Å; Y138-C241 VanDerWaalsContact CA-O 3.28Å; Y138-C241 WeakPolarHBondContact CA-O 3.46Å; I139-C241 HydrophobicContact CG2-CB 3.86Å; I139-C241 PolarHBondContact N-O 3.49Å; I139-C241 PolarHBondContact O-N 3.39Å; C154-C241 WeakPolarHBondContact CA-SG 3.09Å; C154-C241 HydrophobicContact CB-CB 3.69Å; C154-C241 WeakPolarHBondContact CB-SG 3.28Å; C154-C241 WeakPolarHBondContact SG-CA 3.19Å; C154-C241 WeakPolarHBondContact SG-CB 3.33Å; C154-C241 CovalentContact SG-SG 2.04Å; C154-C241 PolarHBondContact SG-SG 3.11Å; A159-C241 HydrophobicContact CB-CB 3.96Å; S160-C241 CarbonylContact O-C 3.57Å; S160-C241 VanDerWaalsContact O-CA 3.23Å; S160-C241 WeakPolarHBondContact O-CA 3.36Å
242	E	95.8	Very high	88.7	Confident	5 Å²	5	58.3 Å²	58.3	2%	0.023	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.9	171.7	70.2	170.7	-148.1	0	0	110.6	C137 Y138 A159 S160 K163 K165	C137-E242 VanDerWaalsContact O-CA 3.31Å; C137-E242 WeakPolarHBondContact O-CA 3.45Å; Y138-E242 HydrophobicContact CD1-CB 3.75Å; Y138-E242 HydrophobicContact CE1-CB 3.67Å; A159-E242 WeakPolarHBondContact CA-O 3.32Å; A159-E242 VanDerWaalsContact CB-O 3.3Å; A159-E242 WeakPolarHBondContact CB-O 3.31Å; S160-E242 PolarHBondContact N-O 3.32Å; S160-E242 PolarHBondContact O-N 2.88Å; K163-E242 WeakPolarHBondContact CB-OE1 3.3Å; K163-E242 WeakPolarHBondContact CG-OE1 3.48Å; K163-E242 PolarHBondContact N-OE2 3.3Å; K165-E242 WeakPolarHBondContact CE-OE1 3.45Å; K165-E242 IonicContact NZ-OE1 3.83Å; K165-E242 PolarHBondContact NZ-OE1 2.68Å
243	K	95.3	Very high	87.9	Confident	49 Å²	49	57.1 Å²	57.1	21%	0.213	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.9	165.7	63.4	177.9	179.9	175.2	0	110.2	W130 S136 C137 A159	W130-K243 HydrophobicContact CE3-CG 4.35Å; W130-K243 HydrophobicContact CH2-CD 4.18Å; W130-K243 HydrophobicContact CH2-CG 4.22Å; W130-K243 HydrophobicContact CZ3-CD 4.25Å; W130-K243 HydrophobicContact CZ3-CG 3.83Å; S136-K243 CarbonylContact C-O 3.6Å; S136-K243 WeakPolarHBondContact CA-O 3.2Å; C137-K243 HydrophobicContact CB-CG 4.23Å; C137-K243 PolarHBondContact N-O 3.46Å; C137-K243 PolarHBondContact O-N 3.26Å; A159-K243 HydrophobicContact CB-CB 3.94Å; A159-K243 HydrophobicContact CB-CD 4.4Å; A159-K243 HydrophobicContact CB-CG 4.42Å
244	L	93.3	Very high	87	Confident	115 Å²	115	63 Å²	63	60%	0.602	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	143.1	173.3	-67	175.7	0	0	0	110.2
245	A	91.3	Very high	85.7	Confident	21 Å²	21	62.5 Å²	62.5	17%	0.174	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-69.5	144.7	169.9	0	0	0	0	0	109.4	P125 D135 C137	P125-A245 HydrophobicContact CB-CB 4.03Å; P125-A245 HydrophobicContact CG-CB 4.47Å; D135-A245 WeakPolarHBondContact O-CB 3.45Å; D135-A245 PolarHBondContact O-N 3.38Å; C137-A245 VanDerWaalsContact SG-CA 3.52Å
246	D	87.8	Confident	83.9	Confident	105 Å²	105	62.7 Å²	62.7	56%	0.561	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-66.5	141.3	-179.2	-71.7	-38.5	0	0	0	109.8	P125 M248	P125-D246 PolarHBondContact O-N 3Å; D246-M248 PolarHBondContact O-N 3.47Å; D246-M248 VanDerWaalsContact O-N 3.16Å
247	P	80.4	Confident	82	Confident	110 Å²	110	65.6 Å²	65.6	71%	0.714	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-54.7	126.1	174.1	-22.1	31.5	0	0	0	109.4	K249	P247-K249 PolarHBondContact O-N 2.98Å
248	M	78.2	Confident	79.8	Confident	23 Å²	23	72.9 Å²	72.9	11%	0.113	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70.3	135.5	-178.2	-69.6	175.7	41.2	0	0	111.1	A107 T108 C111 P125 W132 D246 I253	A107-M248 HydrophobicContact CB-CE 4.29Å; A107-M248 VanDerWaalsContact O-CE 3.29Å; A107-M248 WeakPolarHBondContact O-CE 3.28Å; T108-M248 VanDerWaalsContact CA-SD 3.53Å; T108-M248 HydrophobicContact CG2-SD 4.24Å; C111-M248 HydrophobicContact CB-CE 3.05Å; C111-M248 HydrophobicContact CB-SD 3.72Å; C111-M248 WeakPolarHBondContact SG-CE 3.49Å; P125-M248 HydrophobicContact CB-CG 3.98Å; W132-M248 HydrophobicContact CH2-SD 4.33Å; D246-M248 PolarHBondContact O-N 3.47Å; D246-M248 VanDerWaalsContact O-N 3.16Å; M248-I253 HydrophobicContact CE-CD1 3.68Å; M248-I253 HydrophobicContact CE-CG1 4Å
249	K	79.3	Confident	77.5	Confident	134 Å²	134	74.3 Å²	74.3	58%	0.583	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-89.2	129.3	171.4	-60.9	-179.1	-177.4	177.1	0	108.4	P247 E251 D252	P247-K249 PolarHBondContact O-N 2.98Å; K249-E251 WeakPolarHBondContact CB-OE2 3.23Å; K249-E251 PolarHBondContact O-N 2.98Å; K249-D252 WeakPolarHBondContact CB-OD2 3.47Å; K249-D252 PolarHBondContact O-N 3.22Å; K249-D252 VanDerWaalsContact O-N 3.1Å
250	I	74.3	Confident	75	Confident	67 Å²	67	79.2 Å²	79.2	34%	0.344	44%	0.437	S	S	.	.	H	α-helix	trans	-62.6	-31.2	-177.4	-64.9	-176	0	0	0	110.2	L103 D252 I253 L254	L103-I250 HydrophobicContact CD2-CD1 3.78Å; L103-I250 HydrophobicContact CG-CD1 4.22Å; I250-D252 VanDerWaalsContact C-N 3.26Å; I250-D252 PolarHBondContact O-N 2.97Å; I250-I253 WeakPolarHBondContact O-CB 3.43Å; I250-I253 PolarHBondContact O-N 2.75Å; I250-I253 VanDerWaalsContact O-N 3.12Å; I250-L254 HydrophobicContact CG2-CD1 3.93Å; I250-L254 HydrophobicContact CG2-CG 4.35Å; I250-L254 PolarHBondContact O-N 3.02Å
251	E	75.2	Confident	72.5	Confident	121 Å²	121	82.5 Å²	82.5	57%	0.565	47%	0.471	S	S	*	.	H	α-helix	trans	-60	-35.1	177.1	-58.7	74.4	-159.9	0	0	112.2	K249 I253 L254 T255	K249-E251 WeakPolarHBondContact CB-OE2 3.23Å; K249-E251 PolarHBondContact O-N 2.98Å; E251-I253 PolarHBondContact O-N 2.66Å; E251-L254 PolarHBondContact O-N 2.86Å; E251-T255 WeakPolarHBondContact O-CB 3.49Å; E251-T255 WeakPolarHBondContact O-CG2 3.38Å; E251-T255 PolarHBondContact O-N 2.92Å; E251-T255 PolarHBondContact O-OG1 3.42Å
252	D	73.9	Confident	70	Confident	60 Å²	60	94.3 Å²	94.3	32%	0.321	52%	0.515	S	S	.	.	H	α-helix	trans	-73.5	-17.2	-179.8	-64.5	-25.2	0	0	0	112.7	H121 K249 I250	H121-D252 PolarHBondContact CE1-O 3.1Å; K249-D252 WeakPolarHBondContact CB-OD2 3.47Å; K249-D252 PolarHBondContact O-N 3.22Å; K249-D252 VanDerWaalsContact O-N 3.1Å; I250-D252 VanDerWaalsContact C-N 3.26Å; I250-D252 PolarHBondContact O-N 2.97Å
253	I	72.6	Confident	67.2	Low	20 Å²	20	106.7 Å²	106.7	10%	0.103	58%	0.576	C	S	.	*	H	α-helix	trans	-83.5	-42.7	173.5	-57.4	171.1	0	0	0	110.1	A107 L110 L114 M248 I250 E251	A107-I253 HydrophobicContact CB-CD1 3.49Å; A107-I253 VanDerWaalsContact CB-CD1 3.49Å; L110-I253 HydrophobicContact CD2-CG2 3.65Å; L110-I253 HydrophobicContact CG-CG2 4.3Å; L114-I253 HydrophobicContact CD1-CG2 4.38Å; M248-I253 HydrophobicContact CE-CD1 3.68Å; M248-I253 HydrophobicContact CE-CG1 4Å; I250-I253 WeakPolarHBondContact O-CB 3.43Å; I250-I253 PolarHBondContact O-N 2.75Å; I250-I253 VanDerWaalsContact O-N 3.12Å; E251-I253 PolarHBondContact O-N 2.66Å
254	L	71.9	Confident	65.8	Low	131 Å²	131	109.6 Å²	109.6	69%	0.686	59%	0.594	S	S	*	*	H	α-helix	trans	-79.6	-20	-173.6	-62.9	175.3	0	0	0	113	I250 E251 S256	I250-L254 HydrophobicContact CG2-CD1 3.93Å; I250-L254 HydrophobicContact CG2-CG 4.35Å; I250-L254 PolarHBondContact O-N 3.02Å; E251-L254 PolarHBondContact O-N 2.86Å; L254-S256 PolarHBondContact O-N 3.14Å; L254-S256 VanDerWaalsContact O-N 3.15Å
255	T	63.4	Low	64.4	Low	63 Å²	63	109.3 Å²	109.3	39%	0.387	59%	0.594	S	S	.	*			trans	-86.2	81.1	177.7	46.4	0	0	0	0	111.5	E251 E257	E251-T255 WeakPolarHBondContact O-CB 3.49Å; E251-T255 WeakPolarHBondContact O-CG2 3.38Å; E251-T255 PolarHBondContact O-N 2.92Å; E251-T255 PolarHBondContact O-OG1 3.42Å; T255-E257 PolarHBondContact O-N 2.68Å
256	S	55.5	Low	62.9	Low	91 Å²	91	114.2 Å²	114.2	64%	0.636	62%	0.617	S	S	*	*			trans	-72	114.2	150.6	60.8	0	0	0	0	107.1	L254 E258	L254-S256 PolarHBondContact O-N 3.14Å; L254-S256 VanDerWaalsContact O-N 3.15Å; S256-E258 PolarHBondContact O-N 3.22Å; S256-E258 VanDerWaalsContact O-N 3.14Å
257	E	54.8	Low	61.4	Low	147 Å²	147	114.7 Å²	114.7	69%	0.687	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-55.8	123.6	172.2	-77.3	-179.3	159.5	0	0	109.3	K122 T255	K122-E257 VanDerWaalsContact CE-CD 3.48Å; K122-E257 WeakPolarHBondContact CE-OE1 3.05Å; K122-E257 IonicContact NZ-OE1 2.79Å; K122-E257 PolarHBondContact NZ-OE1 3.17Å; T255-E257 PolarHBondContact O-N 2.68Å
258	E	50.3	Low	60.2	Low	178 Å²	178	115 Å²	115	83%	0.832	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-54.5	135.4	154.6	-93.7	-176.9	142.2	0	0	107.5	S256 A260	S256-E258 PolarHBondContact O-N 3.22Å; S256-E258 VanDerWaalsContact O-N 3.14Å; E258-A260 PolarHBondContact O-N 3.25Å; E258-A260 VanDerWaalsContact O-N 3.07Å
259	P	47.1	Very low	59.1	Low	120 Å²	120	121.1 Å²	121.1	78%	0.779	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-60.2	121.6	179.3	24.5	-30.9	0	0	0	108.4	G261	P259-G261 PolarHBondContact O-N 2.94Å
260	A	43.7	Very low	57.6	Low	103 Å²	103	120.2 Å²	120.2	85%	0.851	65%	0.653	S	S	*	*			trans	-47.5	110.2	171.1	0	0	0	0	0	108.5	E258 R262	E258-A260 PolarHBondContact O-N 3.25Å; E258-A260 VanDerWaalsContact O-N 3.07Å; A260-R262 PolarHBondContact O-N 3.42Å
261	G	43.2	Very low	56.3	Low	69 Å²	69	124.3 Å²	124.3	71%	0.711	68%	0.677	S	S	*	*			trans	-55.8	132.2	177.7	0	0	0	0	0	109.7	P259 M263	P259-G261 PolarHBondContact O-N 2.94Å; G261-M263 PolarHBondContact O-N 3.26Å
262	R	43.2	Very low	54.8	Low	249 Å²	249	124.6 Å²	124.6	94%	0.94	69%	0.686	S	S	*	*			trans	-37.4	123	160.6	-97	176.4	-91	176.4	-7.4	110.7	A260	A260-R262 PolarHBondContact O-N 3.42Å
263	M	37.4	Very low	53	Low	264 Å²	264	130.5 Å²	130.5	100%	1.3	72%	0.719	S	S	*	*			trans	-129.8	0	143.4	-80.1	-172.6	176.6	0	0	107.9	G261	G261-M263 PolarHBondContact O-N 3.26Å

Retrieved 263 of 263 residues in 460 ms (Link to these results)

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