A0A3B3TVL2_9TELE Loading...

Progesterone receptor membrane component 2

AlphaFold DB , UniProt , Accession A0A3B3TVL2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 198 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	43.2	Very low	40.7	Very low	248 Å²	248	143.5 Å²	143.5	100%	1.222	83%	0.826	S	S	*	*				0	108.9	0	-96.4	135	148.9	0	0	106.7
2	A	42.4	Very low	41	Very low	109 Å²	109	142.2 Å²	142.2	90%	0.901	82%	0.821	S	S	*	*			trans	26.1	107.8	172.8	0	0	0	0	0	119.6
3	D	41.8	Very low	40.6	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	82%	0.819	S	S	*	*			trans	-116.9	160.8	148.9	-167.5	1.5	0	0	0	107.3
4	D	52.3	Low	41.1	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	81%	0.812	S	S	*	*			trans	60.1	126.3	159.3	49.6	-53.3	0	0	0	122.4
5	G	38.7	Very low	40.9	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	82%	0.818	S	S	*	*			trans	171.8	67.4	172.7	0	0	0	0	0	119.7
6	F	37	Very low	40.7	Very low	204 Å²	204	133.6 Å²	133.6	90%	0.895	81%	0.812	S	S	*	*			trans	55.7	122.8	137.8	-81	-92.9	0	0	0	124.2
7	S	37.6	Very low	41.2	Very low	92 Å²	92	130.1 Å²	130.1	64%	0.643	81%	0.809	S	S	*	*				60.1	121.9	120.7	-177.7	0	0	0	0	120.3
8	W	38.5	Very low	41.4	Very low	237 Å²	237	133.8 Å²	133.8	90%	0.898	82%	0.815	S	S	*	*				-172.1	144.8	95.2	-133.8	2.1	0	0	0	114.4
9	S	41.5	Very low	41.6	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	81%	0.814	S	S	*	*			trans	78.5	117.8	138.8	-56.5	0	0	0	0	122
10	G	34.4	Very low	41.9	Very low	72 Å²	72	127.6 Å²	127.6	74%	0.742	80%	0.801	S	S	*	*				119	76	110.5	0	0	0	0	0	119
11	L	40	Very low	42.3	Very low	163 Å²	163	124.5 Å²	124.5	85%	0.853	79%	0.787	S	S	*	*			trans	49	116.3	130.7	-71.8	168.3	0	0	0	121.9
12	V	44.1	Very low	42.5	Very low	127 Å²	127	119.8 Å²	119.8	77%	0.77	77%	0.767	S	S	*	*				60.8	117.1	120.1	175.4	0	0	0	0	118.9
13	G	35.9	Very low	43.1	Very low	77 Å²	77	122.8 Å²	122.8	79%	0.794	76%	0.755	S	S	*	*			trans	-163.6	87.9	157.3	0	0	0	0	0	110.1
14	T	48.1	Very low	43.4	Very low	118 Å²	118	121.5 Å²	121.5	72%	0.724	75%	0.747	S	S	*	*			trans	-63.2	136.2	170.4	50.5	0	0	0	0	111.6
15	N	37.9	Very low	43.4	Very low	167 Å²	167	121.1 Å²	121.1	89%	0.893	75%	0.745	S	S	*	*				147.7	143.3	127.3	-93.2	-16.7	0	0	0	112.5
16	G	37.2	Very low	44	Very low	70 Å²	70	122.9 Å²	122.9	72%	0.722	74%	0.743	S	S	*	*			trans	115.8	85.7	151.3	0	0	0	0	0	112.2
17	G	49.3	Very low	44.9	Very low	74 Å²	74	119.8 Å²	119.8	76%	0.763	74%	0.735	S	S	*	*			trans	-57.6	137.4	167.2	0	0	0	0	0	111.2
18	Q	44.9	Very low	46.1	Very low	196 Å²	196	118 Å²	118	92%	0.916	73%	0.731	S	S	*	*			trans	-164.1	92.2	157.2	-103.5	146.9	50.4	0	0	107.3
19	G	46.2	Very low	47	Very low	77 Å²	77	113.2 Å²	113.2	79%	0.794	72%	0.723	S	S	*	*	S	Bend	trans	-151.4	18.6	173.3	0	0	0	0	0	112.2
20	A	47.4	Very low	47.8	Very low	67 Å²	67	110.4 Å²	110.4	55%	0.554	71%	0.709	S	S	*	*	S	Bend	trans	-135.3	28.6	-173.7	0	0	0	0	0	112.5	W23	A20-W23 HydrophobicContact CB-CH2 4.22Å; A20-W23 HydrophobicContact CB-CZ2 3.83Å; A20-W23 WeakPolarHBondContact O-CH2 3.34Å; A20-W23 WeakPolarHBondContact O-CZ2 3.21Å
21	A	50	Low	49.1	Very low	63 Å²	63	108 Å²	108	52%	0.521	69%	0.685	S	S	.	*			trans	-128.3	1.9	-179.9	0	0	0	0	0	114.6
22	D	47.8	Very low	50.2	Low	148 Å²	148	106.5 Å²	106.5	79%	0.791	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	2.2	-174	-108.9	15.4	0	0	0	115.1
23	W	54.5	Low	51.6	Low	173 Å²	173	105.9 Å²	105.9	66%	0.655	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-0.9	178.7	16.4	-95	0	0	0	114.6	A20	A20-W23 HydrophobicContact CB-CH2 4.22Å; A20-W23 HydrophobicContact CB-CZ2 3.83Å; A20-W23 WeakPolarHBondContact O-CH2 3.34Å; A20-W23 WeakPolarHBondContact O-CZ2 3.21Å
24	L	47.5	Very low	53.4	Low	118 Å²	118	107.6 Å²	107.6	62%	0.618	66%	0.657	S	S	*	*	S	Bend	trans	-109.8	-5.3	175.4	-78.6	165.2	0	0	0	114.7
25	D	51.9	Low	54.8	Low	133 Å²	133	107.2 Å²	107.2	71%	0.711	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-92.8	3.7	179.2	-75.6	-20.3	0	0	0	114.6	L27	D25-L27 PolarHBondContact O-N 2.95Å
26	T	51.7	Low	57.1	Low	106 Å²	106	103.5 Å²	103.5	65%	0.65	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-80.5	4.3	169.6	52	0	0	0	0	113.6
27	L	57	Low	59.5	Low	138 Å²	138	103.1 Å²	103.1	72%	0.723	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-103.1	20.7	179.3	-65	177.8	0	0	0	113.8	D25	D25-L27 PolarHBondContact O-N 2.95Å
28	G	62.5	Low	61.5	Low	56 Å²	56	104.2 Å²	104.2	58%	0.577	60%	0.603	S	S	*	*	S	Bend	trans	-101.9	101.9	174.6	0	0	0	0	0	111.9	G30	G28-G30 PolarHBondContact O-N 3.06Å
29	L	56.5	Low	63.6	Low	136 Å²	136	100.1 Å²	100.1	71%	0.712	59%	0.587	S	S	*	*	S	Bend	trans	65.1	-46.9	171.5	-69.4	150.2	0	0	0	117.2	M32 L33	L29-M32 PolarHBondContact O-N 2.89Å; L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 2.79Å
30	G	59.7	Low	65.9	Low	40 Å²	40	100.9 Å²	100.9	41%	0.412	58%	0.576	S	S	.	*	H	α-helix	trans	-66.5	-45.7	-175.8	0	0	0	0	0	114	G28 M32 L33 L34	G28-G30 PolarHBondContact O-N 3.06Å; G30-M32 VanDerWaalsContact C-N 3.29Å; G30-M32 PolarHBondContact O-N 2.79Å; G30-L33 PolarHBondContact O-N 3.42Å; G30-L34 WeakPolarHBondContact O-CG 3.38Å; G30-L34 PolarHBondContact O-N 3.47Å
31	G	60.5	Low	68.1	Low	22 Å²	22	103.1 Å²	103.1	23%	0.227	58%	0.578	C	S	.	*	H	α-helix	trans	-66.9	-30.3	173.8	0	0	0	0	0	112.9	N35	G31-N35 WeakPolarHBondContact O-CB 3.45Å; G31-N35 VanDerWaalsContact O-CG 3.27Å; G31-N35 PolarHBondContact O-N 3.19Å; G31-N35 PolarHBondContact O-ND2 2.76Å; G31-N35 VanDerWaalsContact O-ND2 3.13Å
32	M	64.4	Low	70.2	Confident	131 Å²	131	103.6 Å²	103.6	65%	0.645	57%	0.574	S	S	*	*	H	α-helix	trans	-70.5	-41.4	176.7	-148.4	174.9	-175.5	0	0	110.9	L29 G30 N35 I36	L29-M32 PolarHBondContact O-N 2.89Å; G30-M32 VanDerWaalsContact C-N 3.29Å; G30-M32 PolarHBondContact O-N 2.79Å; M32-N35 PolarHBondContact O-N 3.03Å; M32-I36 HydrophobicContact CG-CD1 4.5Å; M32-I36 WeakPolarHBondContact O-CB 3.45Å; M32-I36 WeakPolarHBondContact O-CD1 3.18Å; M32-I36 WeakPolarHBondContact O-CG1 3.2Å; M32-I36 PolarHBondContact O-N 3.23Å
33	L	71.8	Confident	72.4	Confident	114 Å²	114	100.3 Å²	100.3	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-68	-36.1	174.3	-69	172.1	0	0	0	112.7	L29 G30 I36 S37	L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 2.79Å; G30-L33 PolarHBondContact O-N 3.42Å; L33-I36 PolarHBondContact O-N 3.09Å; L33-S37 WeakPolarHBondContact O-CB 3.19Å; L33-S37 PolarHBondContact O-N 2.72Å; L33-S37 PolarHBondContact O-OG 3.49Å
34	L	75.1	Confident	74.3	Confident	113 Å²	113	94.4 Å²	94.4	59%	0.592	55%	0.547	S	S	*	.	H	α-helix	trans	-66.4	-41.4	172.3	-76.5	170	0	0	0	112.1	G30 S37 I38	G30-L34 WeakPolarHBondContact O-CG 3.38Å; G30-L34 PolarHBondContact O-N 3.47Å; L34-S37 PolarHBondContact O-N 3.15Å; L34-S37 PolarHBondContact O-OG 2.89Å; L34-I38 WeakPolarHBondContact O-CB 3.44Å; L34-I38 WeakPolarHBondContact O-CD1 3.02Å; L34-I38 WeakPolarHBondContact O-CG1 3.37Å; L34-I38 PolarHBondContact O-N 2.82Å
35	N	76.2	Confident	76.4	Confident	110 Å²	110	92.4 Å²	92.4	59%	0.588	54%	0.54	S	S	*	.	H	α-helix	trans	-67	-38.3	175.3	-75.4	-32.5	0	0	0	112.2	G31 M32 I38 L39	G31-N35 WeakPolarHBondContact O-CB 3.45Å; G31-N35 VanDerWaalsContact O-CG 3.27Å; G31-N35 PolarHBondContact O-N 3.19Å; G31-N35 PolarHBondContact O-ND2 2.76Å; G31-N35 VanDerWaalsContact O-ND2 3.13Å; M32-N35 PolarHBondContact O-N 3.03Å; N35-I38 PolarHBondContact O-N 2.84Å; N35-L39 WeakPolarHBondContact O-CB 3.37Å; N35-L39 PolarHBondContact O-N 3.49Å
36	I	86.4	Confident	78.3	Confident	88 Å²	88	89.7 Å²	89.7	45%	0.451	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-41.7	175.2	-68.7	163.6	0	0	0	110.6	M32 L33 L39 V40	M32-I36 HydrophobicContact CG-CD1 4.5Å; M32-I36 WeakPolarHBondContact O-CB 3.45Å; M32-I36 WeakPolarHBondContact O-CD1 3.18Å; M32-I36 WeakPolarHBondContact O-CG1 3.2Å; M32-I36 PolarHBondContact O-N 3.23Å; L33-I36 PolarHBondContact O-N 3.09Å; I36-L39 PolarHBondContact O-N 2.85Å; I36-V40 HydrophobicContact CG2-CG2 4.42Å; I36-V40 VanDerWaalsContact O-CG2 3.31Å; I36-V40 WeakPolarHBondContact O-CG2 3.37Å; I36-V40 PolarHBondContact O-N 3.37Å
37	S	87.9	Confident	80.2	Confident	62 Å²	62	87.9 Å²	87.9	43%	0.434	52%	0.519	S	S	.	.	H	α-helix	trans	-66.3	-39.1	178.2	71.5	0	0	0	0	112.1	L33 L34 V40 L41	L33-S37 WeakPolarHBondContact O-CB 3.19Å; L33-S37 PolarHBondContact O-N 2.72Å; L33-S37 PolarHBondContact O-OG 3.49Å; L34-S37 PolarHBondContact O-N 3.15Å; L34-S37 PolarHBondContact O-OG 2.89Å; S37-V40 PolarHBondContact O-N 3.32Å; S37-L41 WeakPolarHBondContact O-CB 3.01Å; S37-L41 PolarHBondContact O-N 2.87Å
38	I	90.6	Very high	81.8	Confident	98 Å²	98	85.6 Å²	85.6	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-45.2	172.4	-68.5	165.3	0	0	0	110.5	L34 N35 V40 L41 V42	L34-I38 WeakPolarHBondContact O-CB 3.44Å; L34-I38 WeakPolarHBondContact O-CD1 3.02Å; L34-I38 WeakPolarHBondContact O-CG1 3.37Å; L34-I38 PolarHBondContact O-N 2.82Å; N35-I38 PolarHBondContact O-N 2.84Å; I38-V40 PolarHBondContact O-N 3.19Å; I38-L41 PolarHBondContact O-N 3.28Å; I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 VanDerWaalsContact O-CG2 3.3Å; I38-V42 WeakPolarHBondContact O-CG2 3.28Å; I38-V42 PolarHBondContact O-N 3.47Å
39	L	90.9	Very high	83.1	Confident	110 Å²	110	85.7 Å²	85.7	58%	0.576	50%	0.5	S	S	*	.	H	α-helix	trans	-61.4	-44.7	178.6	-176.4	67.6	0	0	0	111.8	N35 I36 L41 V42 V43	N35-L39 WeakPolarHBondContact O-CB 3.37Å; N35-L39 PolarHBondContact O-N 3.49Å; I36-L39 PolarHBondContact O-N 2.85Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.76Å; L39-V42 PolarHBondContact O-N 2.84Å; L39-V43 VanDerWaalsContact O-CG2 3.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.05Å; L39-V43 PolarHBondContact O-N 3.06Å
40	V	93.8	Very high	84.5	Confident	92 Å²	92	87.6 Å²	87.6	56%	0.558	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-40.7	176.9	172	0	0	0	0	111	I36 S37 I38 V43 A44	I36-V40 HydrophobicContact CG2-CG2 4.42Å; I36-V40 VanDerWaalsContact O-CG2 3.31Å; I36-V40 WeakPolarHBondContact O-CG2 3.37Å; I36-V40 PolarHBondContact O-N 3.37Å; S37-V40 PolarHBondContact O-N 3.32Å; I38-V40 PolarHBondContact O-N 3.19Å; V40-V43 PolarHBondContact O-N 3.39Å; V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.26Å; V40-A44 PolarHBondContact O-N 3.25Å
41	L	93.7	Very high	85.8	Confident	114 Å²	114	92.8 Å²	92.8	60%	0.597	51%	0.506	S	S	*	.	H	α-helix	trans	-65.2	-43.1	177	-168.5	150.5	0	0	0	111.3	S37 I38 L39 A44 V45	S37-L41 WeakPolarHBondContact O-CB 3.01Å; S37-L41 PolarHBondContact O-N 2.87Å; I38-L41 PolarHBondContact O-N 3.28Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.76Å; L41-A44 PolarHBondContact O-N 3.38Å; L41-V45 HydrophobicContact CD2-CG2 4.02Å; L41-V45 WeakPolarHBondContact O-CB 3.28Å; L41-V45 VanDerWaalsContact O-CG2 3.27Å; L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 2.72Å
42	V	93.7	Very high	87	Confident	73 Å²	73	98.7 Å²	98.7	44%	0.442	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-46.1	175.3	170.7	0	0	0	0	110.9	I38 L39 A44 V45 C46	I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 VanDerWaalsContact O-CG2 3.3Å; I38-V42 WeakPolarHBondContact O-CG2 3.28Å; I38-V42 PolarHBondContact O-N 3.47Å; L39-V42 PolarHBondContact O-N 2.84Å; V42-A44 PolarHBondContact O-N 3.36Å; V42-V45 PolarHBondContact O-N 3.37Å; V42-C46 WeakPolarHBondContact O-CB 3.37Å; V42-C46 PolarHBondContact O-N 3.47Å; V42-C46 PolarHBondContact O-SG 3.37Å
43	V	93.6	Very high	87.4	Confident	79 Å²	79	101 Å²	101	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176.6	171.3	0	0	0	0	110.8	L39 V40 V45 C46 V47	L39-V43 VanDerWaalsContact O-CG2 3.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.05Å; L39-V43 PolarHBondContact O-N 3.06Å; V40-V43 PolarHBondContact O-N 3.39Å; V43-V45 PolarHBondContact O-N 3.18Å; V43-C46 PolarHBondContact O-N 3.17Å; V43-V47 HydrophobicContact CG1-CG2 4.22Å; V43-V47 WeakPolarHBondContact O-CB 3.35Å; V43-V47 WeakPolarHBondContact O-CG2 3.24Å; V43-V47 PolarHBondContact O-N 3.43Å
44	A	93.8	Very high	86.8	Confident	49 Å²	49	96.6 Å²	96.6	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-42	176.3	0	0	0	0	0	111.8	V40 L41 V42 V47 V48	V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.26Å; V40-A44 PolarHBondContact O-N 3.25Å; L41-A44 PolarHBondContact O-N 3.38Å; V42-A44 PolarHBondContact O-N 3.36Å; A44-V47 PolarHBondContact O-N 3.06Å; A44-V48 WeakPolarHBondContact O-CB 3.36Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.16Å
45	V	93.2	Very high	86	Confident	77 Å²	77	98.7 Å²	98.7	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-65.2	-45.2	174.6	170.7	0	0	0	0	110.7	L41 V42 V43 V47 V48 V49	L41-V45 HydrophobicContact CD2-CG2 4.02Å; L41-V45 WeakPolarHBondContact O-CB 3.28Å; L41-V45 VanDerWaalsContact O-CG2 3.27Å; L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 2.72Å; V42-V45 PolarHBondContact O-N 3.37Å; V43-V45 PolarHBondContact O-N 3.18Å; V45-V47 VanDerWaalsContact C-N 3.32Å; V45-V47 PolarHBondContact O-N 2.96Å; V45-V48 PolarHBondContact O-N 3.45Å; V45-V49 HydrophobicContact CG1-CG2 4.21Å; V45-V49 WeakPolarHBondContact O-CB 3.32Å; V45-V49 VanDerWaalsContact O-CG2 3.26Å; V45-V49 WeakPolarHBondContact O-CG2 3.19Å; V45-V49 PolarHBondContact O-N 3.43Å
46	C	91.4	Very high	85	Confident	75 Å²	75	100.2 Å²	100.2	51%	0.507	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-40.4	174.7	-72.8	0	0	0	0	111.7	V42 V43 Y50	V42-C46 WeakPolarHBondContact O-CB 3.37Å; V42-C46 PolarHBondContact O-N 3.47Å; V42-C46 PolarHBondContact O-SG 3.37Å; V43-C46 PolarHBondContact O-N 3.17Å; C46-Y50 WeakPolarHBondContact O-CA 3.46Å; C46-Y50 WeakPolarHBondContact O-CB 3.38Å; C46-Y50 PolarHBondContact O-N 3.38Å
47	V	90.9	Very high	83.4	Confident	69 Å²	69	103.1 Å²	103.1	42%	0.418	52%	0.519	S	S	.	.	H	α-helix	trans	-68.9	-38.4	175	169.4	0	0	0	0	110.7	V43 A44 V45 R51	V43-V47 HydrophobicContact CG1-CG2 4.22Å; V43-V47 WeakPolarHBondContact O-CB 3.35Å; V43-V47 WeakPolarHBondContact O-CG2 3.24Å; V43-V47 PolarHBondContact O-N 3.43Å; A44-V47 PolarHBondContact O-N 3.06Å; V45-V47 VanDerWaalsContact C-N 3.32Å; V45-V47 PolarHBondContact O-N 2.96Å; V47-R51 HydrophobicContact CG1-CG 4.11Å; V47-R51 WeakPolarHBondContact O-CA 3.49Å; V47-R51 WeakPolarHBondContact O-CB 3.47Å; V47-R51 WeakPolarHBondContact O-CG 3.37Å; V47-R51 PolarHBondContact O-N 3.32Å
48	V	91.4	Very high	81.6	Confident	89 Å²	89	105.5 Å²	105.5	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-68.6	-43.1	176	168	0	0	0	0	110.7	A44 V45 R51 R52	A44-V48 WeakPolarHBondContact O-CB 3.36Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.16Å; V45-V48 PolarHBondContact O-N 3.45Å; V48-R51 CarbonylContact O-C 3.47Å; V48-R51 PolarHBondContact O-N 3.33Å; V48-R52 WeakPolarHBondContact O-CB 3.31Å; V48-R52 PolarHBondContact O-N 2.91Å
49	V	89.3	Confident	79.5	Confident	59 Å²	59	104.8 Å²	104.8	36%	0.358	54%	0.535	S	S	.	.	H	α-helix	trans	-64.8	-46.9	174.7	172.2	0	0	0	0	109.6	V45 R51 R52 W53	V45-V49 HydrophobicContact CG1-CG2 4.21Å; V45-V49 WeakPolarHBondContact O-CB 3.32Å; V45-V49 VanDerWaalsContact O-CG2 3.26Å; V45-V49 WeakPolarHBondContact O-CG2 3.19Å; V45-V49 PolarHBondContact O-N 3.43Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 2.79Å; V49-R52 CarbonylContact O-C 3.51Å; V49-R52 PolarHBondContact O-N 2.77Å; V49-W53 HydrophobicContact CG1-CD2 3.89Å; V49-W53 HydrophobicContact CG1-CE3 4.18Å; V49-W53 HydrophobicContact CG1-CG 4.18Å; V49-W53 VanDerWaalsContact O-CB 3.26Å; V49-W53 WeakPolarHBondContact O-CB 3.49Å; V49-W53 PolarHBondContact O-N 2.88Å
50	Y	85.4	Confident	77.4	Confident	176 Å²	176	106.6 Å²	106.6	69%	0.69	55%	0.545	S	S	*	.	H	α-helix	trans	-62	-39.5	174.3	177.6	-99	0	0	0	111.9	C46 R52 G54	C46-Y50 WeakPolarHBondContact O-CA 3.46Å; C46-Y50 WeakPolarHBondContact O-CB 3.38Å; C46-Y50 PolarHBondContact O-N 3.38Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.33Å; Y50-G54 WeakPolarHBondContact O-CA 3.24Å; Y50-G54 PolarHBondContact O-N 2.67Å
51	R	87.7	Confident	75.2	Confident	149 Å²	149	103.8 Å²	103.8	56%	0.562	53%	0.534	S	S	*	.	H	α-helix	trans	-75.9	-15.4	174.1	-71.4	176.8	80.6	84.4	2.6	112.4	V47 V48 V49 R55	V47-R51 HydrophobicContact CG1-CG 4.11Å; V47-R51 WeakPolarHBondContact O-CA 3.49Å; V47-R51 WeakPolarHBondContact O-CB 3.47Å; V47-R51 WeakPolarHBondContact O-CG 3.37Å; V47-R51 PolarHBondContact O-N 3.32Å; V48-R51 CarbonylContact O-C 3.47Å; V48-R51 PolarHBondContact O-N 3.33Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 2.79Å; R51-R55 WeakPolarHBondContact O-CB 3.43Å; R51-R55 WeakPolarHBondContact O-CD 3.21Å; R51-R55 WeakPolarHBondContact O-CG 2.99Å; R51-R55 PolarHBondContact O-N 3.27Å; R51-R55 PolarHBondContact O-NE 3.11Å
52	R	86.2	Confident	72.7	Confident	146 Å²	146	101.1 Å²	101.1	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-99.6	-29.5	178.7	-170	140.3	171.2	80.2	-6.1	111.8	V48 V49 Y50 R56	V48-R52 WeakPolarHBondContact O-CB 3.31Å; V48-R52 PolarHBondContact O-N 2.91Å; V49-R52 CarbonylContact O-C 3.51Å; V49-R52 PolarHBondContact O-N 2.77Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.33Å; R52-R56 WeakPolarHBondContact O-CD 3.29Å; R52-R56 WeakPolarHBondContact O-CG 3.49Å; R52-R56 PolarHBondContact O-N 2.69Å
53	W	71.5	Confident	70.2	Confident	178 Å²	178	107 Å²	107	67%	0.674	55%	0.551	S	S	*	*	H	α-helix	trans	-84.2	-41.6	169.4	-76	5.8	0	0	0	111.2	V49 R55 R56 L57	V49-W53 HydrophobicContact CG1-CD2 3.89Å; V49-W53 HydrophobicContact CG1-CE3 4.18Å; V49-W53 HydrophobicContact CG1-CG 4.18Å; V49-W53 VanDerWaalsContact O-CB 3.26Å; V49-W53 WeakPolarHBondContact O-CB 3.49Å; V49-W53 PolarHBondContact O-N 2.88Å; W53-R55 VanDerWaalsContact C-N 3.33Å; W53-R55 PolarHBondContact O-N 3.36Å; W53-R56 CarbonylContact O-C 3.53Å; W53-R56 WeakPolarHBondContact O-CA 3.44Å; W53-R56 WeakPolarHBondContact O-CB 3.47Å; W53-R56 PolarHBondContact O-N 3.42Å; W53-L57 PolarHBondContact O-N 3.03Å
54	G	61.1	Low	67.7	Low	23 Å²	23	109.6 Å²	109.6	24%	0.237	56%	0.563	C	S	.	*	H	α-helix	trans	-64.5	-35.2	169.2	0	0	0	0	0	112.3	Y50 R56 V58	Y50-G54 WeakPolarHBondContact O-CA 3.24Å; Y50-G54 PolarHBondContact O-N 2.67Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.1Å; G54-V58 VanDerWaalsContact O-N 3.09Å
55	R	58.1	Low	65.2	Low	156 Å²	156	110.3 Å²	110.3	59%	0.589	58%	0.575	S	S	*	*	H	α-helix	trans	-70.1	-24	166	-80.2	-173.5	-78.5	-175.9	-3.3	113.2	R51 W53 S59	R51-R55 WeakPolarHBondContact O-CB 3.43Å; R51-R55 WeakPolarHBondContact O-CD 3.21Å; R51-R55 WeakPolarHBondContact O-CG 2.99Å; R51-R55 PolarHBondContact O-N 3.27Å; R51-R55 PolarHBondContact O-NE 3.11Å; W53-R55 VanDerWaalsContact C-N 3.33Å; W53-R55 PolarHBondContact O-N 3.36Å; R55-S59 WeakPolarHBondContact O-CA 2.95Å; R55-S59 WeakPolarHBondContact O-CB 3.07Å; R55-S59 PolarHBondContact O-N 3.26Å
56	R	53.6	Low	63	Low	142 Å²	142	115.8 Å²	115.8	54%	0.536	60%	0.596	S	S	.	*	H	α-helix	trans	-77.8	-37	172.8	-78.1	170.7	-169.3	-126.5	5.5	111.9	R52 W53 G54 V58 S59 D60	R52-R56 WeakPolarHBondContact O-CD 3.29Å; R52-R56 WeakPolarHBondContact O-CG 3.49Å; R52-R56 PolarHBondContact O-N 2.69Å; W53-R56 CarbonylContact O-C 3.53Å; W53-R56 WeakPolarHBondContact O-CA 3.44Å; W53-R56 WeakPolarHBondContact O-CB 3.47Å; W53-R56 PolarHBondContact O-N 3.42Å; G54-R56 VanDerWaalsContact C-N 3.33Å; R56-V58 VanDerWaalsContact C-N 3.26Å; R56-V58 PolarHBondContact O-N 3.39Å; R56-S59 PolarHBondContact O-N 2.79Å; R56-D60 WeakPolarHBondContact O-CB 3.24Å; R56-D60 PolarHBondContact O-N 3.33Å
57	L	52.9	Low	61	Low	149 Å²	149	114.7 Å²	114.7	78%	0.78	59%	0.592	S	S	*	*	H	α-helix	trans	-66.3	-27.3	172.8	-71.7	168.8	0	0	0	112.9	W53	W53-L57 PolarHBondContact O-N 3.03Å
58	V	51.5	Low	59.3	Low	112 Å²	112	116.2 Å²	116.2	68%	0.679	60%	0.604	S	S	*	*	H	α-helix	trans	-92.3	-31.2	174.3	174.5	0	0	0	0	112.5	G54 R56 G61	G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.1Å; G54-V58 VanDerWaalsContact O-N 3.09Å; R56-V58 VanDerWaalsContact C-N 3.26Å; R56-V58 PolarHBondContact O-N 3.39Å; V58-G61 PolarHBondContact O-N 3.33Å
59	S	45.8	Very low	57.9	Low	84 Å²	84	121 Å²	121	59%	0.587	62%	0.622	S	S	*	*	H	α-helix	trans	-90.5	-17.8	-175.6	-160.2	0	0	0	0	114.6	R55 R56 G61	R55-S59 WeakPolarHBondContact O-CA 2.95Å; R55-S59 WeakPolarHBondContact O-CB 3.07Å; R55-S59 PolarHBondContact O-N 3.26Å; R56-S59 PolarHBondContact O-N 2.79Å; S59-G61 PolarHBondContact O-N 2.64Å
60	D	47.3	Very low	57.4	Low	147 Å²	147	120.9 Å²	120.9	79%	0.786	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	0.5	161.7	-83.7	4.7	0	0	0	111.6	R56	R56-D60 WeakPolarHBondContact O-CB 3.24Å; R56-D60 PolarHBondContact O-N 3.33Å
61	G	46.5	Very low	57.5	Low	33 Å²	33	118.3 Å²	118.3	34%	0.34	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.7	-4.4	174.3	0	0	0	0	0	114.7	V58 S59	V58-G61 PolarHBondContact O-N 3.33Å; S59-G61 PolarHBondContact O-N 2.64Å
62	A	41.9	Very low	57.5	Low	58 Å²	58	115.6 Å²	115.6	48%	0.479	61%	0.614	S	S	.	*			trans	-121.2	53.2	-174	0	0	0	0	0	111.3
63	E	40.4	Very low	57.7	Low	196 Å²	196	110.1 Å²	110.1	92%	0.916	60%	0.595	S	S	*	*			trans	-100.6	86.1	139.7	-71.5	-153	141.7	0	0	105.8	G65	E63-G65 PolarHBondContact O-N 3.41Å
64	D	41.8	Very low	58.6	Low	134 Å²	134	110.8 Å²	110.8	72%	0.717	60%	0.598	S	S	*	*			trans	-70.9	68.1	172.1	-48.2	-32.2	0	0	0	107.5	E66	D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.44Å; D64-E66 VanDerWaalsContact O-N 3.1Å
65	G	42.2	Very low	60.2	Low	65 Å²	65	112 Å²	112	67%	0.67	60%	0.595	S	S	*	*			trans	-63.2	106.4	150.9	0	0	0	0	0	105	E63 A67	E63-G65 PolarHBondContact O-N 3.41Å; G65-A67 PolarHBondContact O-N 3.4Å
66	E	45.2	Very low	61.9	Low	192 Å²	192	109.1 Å²	109.1	90%	0.897	58%	0.584	S	S	*	*			trans	-49.9	86	169	-77.7	-164.7	146	0	0	109.1	D64 P68	D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.44Å; D64-E66 VanDerWaalsContact O-N 3.1Å; E66-P68 WeakPolarHBondContact O-CD 3.32Å
67	A	50.6	Low	64	Low	52 Å²	52	102.8 Å²	102.8	43%	0.43	56%	0.561	S	S	.	*			trans	-64.1	122.3	154.3	0	0	0	0	0	103.8	G65 M69	G65-A67 PolarHBondContact O-N 3.4Å; A67-M69 PolarHBondContact O-N 2.76Å
68	P	54.9	Low	66.1	Low	101 Å²	101	95.7 Å²	95.7	66%	0.656	52%	0.524	S	S	*	.			trans	-51.6	119.3	177.6	18.6	-29.1	0	0	0	107	E66 L70	E66-P68 WeakPolarHBondContact O-CD 3.32Å; P68-L70 PolarHBondContact O-N 2.91Å
69	M	62.5	Low	68.2	Low	189 Å²	189	92.4 Å²	92.4	93%	0.931	50%	0.504	S	S	*	.			trans	-60.1	95.2	177.1	-70.8	-168	75.8	0	0	106.6	A67 T71	A67-M69 PolarHBondContact O-N 2.76Å; M69-T71 PolarHBondContact O-N 2.97Å
70	L	78.9	Confident	70.5	Confident	57 Å²	57	89 Å²	89	30%	0.298	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-61.6	133.6	-179.3	-64.7	-177.1	0	0	0	106.7	P68 K72 P92 R93 T106	P68-L70 PolarHBondContact O-N 2.91Å; L70-K72 PolarHBondContact O-N 3.22Å; L70-P92 HydrophobicContact CD1-CB 4.34Å; L70-P92 HydrophobicContact CD1-CG 4.37Å; L70-R93 HydrophobicContact CD1-CB 3.71Å; L70-R93 HydrophobicContact CD1-CG 4.3Å; L70-T106 HydrophobicContact CD1-CG2 4.09Å
71	T	86.8	Confident	72.8	Confident	121 Å²	121	87.9 Å²	87.9	74%	0.742	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-52.5	139.3	174.3	-48.9	0	0	0	0	109.3	M69 M73 R93	M69-T71 PolarHBondContact O-N 2.97Å; T71-M73 PolarHBondContact O-N 3.36Å; T71-R93 PolarHBondContact O-NH1 2.85Å; T71-R93 PolarHBondContact O-NH2 2.98Å
72	K	88.6	Confident	75.1	Confident	92 Å²	92	89.8 Å²	89.8	40%	0.4	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-52.3	131.5	177.8	-178.9	154.2	169	167.7	0	110	L70 D170 H194	L70-K72 PolarHBondContact O-N 3.22Å; K72-D170 WeakPolarHBondContact CD-OD2 3.34Å; K72-D170 VanDerWaalsContact CE-OD1 3.24Å; K72-D170 WeakPolarHBondContact CE-OD1 3.32Å; K72-D170 IonicContact NZ-OD1 3.84Å; K72-D170 PolarHBondContact NZ-OD1 3.45Å; K72-D170 IonicContact NZ-OD2 3.61Å; K72-H194 VanDerWaalsContact CD-CE1 3.49Å; K72-H194 WeakPolarHBondContact CD-CE1 3.17Å; K72-H194 WeakPolarHBondContact CE-CE1 3.33Å
73	M	90	Very high	77.7	Confident	32 Å²	32	87 Å²	87	16%	0.158	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-74.4	141.1	-176.8	-166.4	171.1	-168.4	0	0	110	T71 F78 Y86 R93 L95 V172	T71-M73 PolarHBondContact O-N 3.36Å; M73-F78 HydrophobicContact CE-CE1 4.05Å; M73-F78 HydrophobicContact CE-CZ 3.71Å; M73-F78 HydrophobicContact SD-CZ 4.18Å; M73-Y86 HydrophobicContact CE-CE1 3.85Å; M73-R93 VanDerWaalsContact SD-CD 3.57Å; M73-L95 HydrophobicContact CE-CD1 4.43Å; M73-L95 HydrophobicContact SD-CD1 4.08Å; M73-L95 HydrophobicContact SD-CD2 4.27Å; M73-V172 HydrophobicContact CB-CG1 4.05Å
74	R	90.8	Very high	80.3	Confident	191 Å²	191	80.6 Å²	80.6	72%	0.721	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-68.8	147.6	169.5	-66.2	-172.4	-178.2	-164.8	-2.5	110.1
75	R	93.6	Very high	83	Confident	50 Å²	50	79.1 Å²	79.1	19%	0.189	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-68.8	136.5	178.9	-64.6	-166.5	-176.9	137.2	-12.6	111.7	Y171 V172 Y185 D190 D193	R75-Y171 PolarHBondContact NE-O 2.8Å; R75-V172 CarbonylContact C-O 3.51Å; R75-V172 WeakPolarHBondContact CA-O 3.37Å; R75-Y185 HydrophobicContact CB-CD1 3.79Å; R75-Y185 HydrophobicContact CB-CD2 4.08Å; R75-Y185 HydrophobicContact CB-CE1 4.17Å; R75-Y185 HydrophobicContact CB-CE2 4.42Å; R75-Y185 HydrophobicContact CB-CG 3.73Å; R75-Y185 WeakPolarHBondContact O-CD2 3.21Å; R75-D190 WeakPolarHBondContact CD-OD1 3.2Å; R75-D190 VanDerWaalsContact CG-OD1 3.26Å; R75-D190 WeakPolarHBondContact CG-OD1 3.43Å; R75-D190 IonicContact CZ-OD1 2.79Å; R75-D190 PolarHBondContact N-OD2 3.11Å; R75-D190 IonicContact NE-OD1 3.86Å; R75-D190 PolarHBondContact NE-OD1 2.9Å; R75-D190 IonicContact NH1-OD1 2.64Å; R75-D190 PolarHBondContact NH1-OD1 3.39Å; R75-D193 IonicContact CZ-OD2 3.83Å; R75-D193 IonicContact NH1-OD2 2.97Å; R75-D193 PolarHBondContact NH1-OD2 3.13Å; R75-D193 IonicContact NH2-OD2 2.74Å; R75-D193 PolarHBondContact NH2-OD2 2.95Å
76	R	94.9	Very high	85.6	Confident	95 Å²	95	77.1 Å²	77.1	36%	0.358	38%	0.377	S	S	.	.			trans	-159.9	155.4	172.7	62.3	175.7	-116.5	-179.7	-3	110.1	F78 V172 G173	R76-F78 HydrophobicContact CG-CD2 4.45Å; R76-F78 HydrophobicContact CG-CE1 4.15Å; R76-F78 HydrophobicContact CG-CE2 3.71Å; R76-F78 HydrophobicContact CG-CZ 3.52Å; R76-F78 VanDerWaalsContact NE-CE1 3.29Å; R76-F78 WeakPolarHBondContact O-CD2 3.47Å; R76-F78 WeakPolarHBondContact O-CE2 3.39Å; R76-V172 PolarHBondContact N-O 3.39Å; R76-G173 WeakPolarHBondContact O-CA 3.45Å
77	D	96.8	Very high	88	Confident	9 Å²	9	69.5 Å²	69.5	5%	0.048	34%	0.343	C	S	.	.			trans	-80	157.5	171.8	-68.5	-27.4	0	0	0	111.4	R174 L176 P182 S183 Y185	D77-R174 WeakPolarHBondContact CA-O 3.38Å; D77-R174 WeakPolarHBondContact OD1-CA 3.46Å; D77-R174 WeakPolarHBondContact OD1-CB 3.24Å; D77-R174 PolarHBondContact OD1-N 3.48Å; D77-R174 IonicContact OD1-NE 3.57Å; D77-R174 PolarHBondContact OD1-NE 3.38Å; D77-R174 IonicContact OD2-CZ 3.56Å; D77-R174 IonicContact OD2-NE 3.51Å; D77-R174 PolarHBondContact OD2-NE 3.32Å; D77-R174 IonicContact OD2-NH2 3.83Å; D77-R174 PolarHBondContact OD2-NH2 3.01Å; D77-L176 HydrophobicContact CB-CD1 3.94Å; D77-L176 HydrophobicContact CB-CD2 3.75Å; D77-L176 HydrophobicContact CB-CG 3.8Å; D77-P182 HydrophobicContact CB-CB 4.27Å; D77-S183 PolarHBondContact OD2-N 3.47Å; D77-S183 PolarHBondContact OD2-OG 3.25Å; D77-Y185 PolarHBondContact OD1-OH 2.95Å
78	F	96.6	Very high	90.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-131	137.7	-178.3	-62.2	-95.5	0	0	0	110.4	M73 R76 Q82 Y86 L95 V102 V172 R174 L175 L176	M73-F78 HydrophobicContact CE-CE1 4.05Å; M73-F78 HydrophobicContact CE-CZ 3.71Å; M73-F78 HydrophobicContact SD-CZ 4.18Å; R76-F78 HydrophobicContact CG-CD2 4.45Å; R76-F78 HydrophobicContact CG-CE1 4.15Å; R76-F78 HydrophobicContact CG-CE2 3.71Å; R76-F78 HydrophobicContact CG-CZ 3.52Å; R76-F78 VanDerWaalsContact NE-CE1 3.29Å; R76-F78 WeakPolarHBondContact O-CD2 3.47Å; R76-F78 WeakPolarHBondContact O-CE2 3.39Å; F78-Q82 HydrophobicContact CD1-CB 4.38Å; F78-Y86 HydrophobicContact CD1-CE2 4.36Å; F78-Y86 HydrophobicContact CE1-CD2 4.43Å; F78-Y86 AromaticContact CE1-CE2 3.88Å; F78-Y86 HydrophobicContact CE1-CE2 3.88Å; F78-L95 HydrophobicContact CD1-CD1 4.31Å; F78-L95 HydrophobicContact CE1-CD1 3.59Å; F78-L95 HydrophobicContact CE2-CD1 4.16Å; F78-L95 HydrophobicContact CZ-CD1 3.5Å; F78-V102 HydrophobicContact CB-CG2 4.41Å; F78-V102 HydrophobicContact CD2-CB 4.09Å; F78-V102 HydrophobicContact CD2-CG1 3.99Å; F78-V102 HydrophobicContact CD2-CG2 3.93Å; F78-V102 HydrophobicContact CE2-CB 4.41Å; F78-V102 HydrophobicContact CE2-CG1 4.1Å; F78-V172 HydrophobicContact CE2-CG2 4.08Å; F78-R174 PolarHBondContact N-O 2.71Å; F78-L175 WeakPolarHBondContact O-CA 3.32Å; F78-L176 PolarHBondContact O-N 2.55Å
79	T	96.4	Very high	92	Very high	42 Å²	42	66.9 Å²	66.9	26%	0.258	32%	0.321	S	S	.	.			trans	-78	166.8	156.7	78.2	0	0	0	0	109.7	E81 Q82 L83 L176	T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 WeakPolarHBondContact CB-OE2 3.44Å; T79-E81 PolarHBondContact O-N 2.93Å; T79-E81 PolarHBondContact OG1-N 2.89Å; T79-E81 PolarHBondContact OG1-OE2 2.82Å; T79-Q82 VanDerWaalsContact N-OE1 3.09Å; T79-Q82 PolarHBondContact O-N 3.3Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.42Å; T79-Q82 PolarHBondContact OG1-N 3.46Å; T79-L83 WeakPolarHBondContact O-CB 3.19Å; T79-L83 PolarHBondContact O-N 2.9Å; T79-L176 HydrophobicContact CG2-CD1 4.39Å
80	L	94.5	Very high	93.4	Very high	14 Å²	14	64.7 Å²	64.7	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-40	176.2	-85.9	174.5	0	0	0	112.4	Q82 L83 Q84 D125 L175	L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.03Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 3.08Å; L80-L83 VanDerWaalsContact O-N 3.16Å; L80-Q84 WeakPolarHBondContact O-CG 3.25Å; L80-Q84 PolarHBondContact O-N 2.74Å; L80-D125 HydrophobicContact CD2-CB 4.3Å; L80-L175 HydrophobicContact CD2-CD1 3.92Å; L80-L175 HydrophobicContact CD2-CD2 3.95Å; L80-L175 HydrophobicContact CG-CD1 4.04Å; L80-L175 HydrophobicContact CG-CD2 4.41Å
81	E	94	Very high	94.1	Very high	123 Å²	123	64 Å²	64	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-63.3	-41.8	179.6	-55.7	74.6	-161.7	0	0	110.7	T79 L83 Q84	T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 WeakPolarHBondContact CB-OE2 3.44Å; T79-E81 PolarHBondContact O-N 2.93Å; T79-E81 PolarHBondContact OG1-N 2.89Å; T79-E81 PolarHBondContact OG1-OE2 2.82Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-Q84 PolarHBondContact O-N 3.3Å
82	Q	95.8	Very high	94.5	Very high	72 Å²	72	61.8 Å²	61.8	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-67	-35.9	175.3	-67.8	174.1	-16.6	0	0	112	F78 T79 L80 Q84 E85 Y86	F78-Q82 HydrophobicContact CD1-CB 4.38Å; T79-Q82 VanDerWaalsContact N-OE1 3.09Å; T79-Q82 PolarHBondContact O-N 3.3Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.42Å; T79-Q82 PolarHBondContact OG1-N 3.46Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.03Å; Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-E85 PolarHBondContact O-N 2.72Å; Q82-Y86 VanDerWaalsContact O-CD2 3.24Å; Q82-Y86 WeakPolarHBondContact O-CD2 3.38Å; Q82-Y86 WeakPolarHBondContact O-CE2 3.33Å
83	L	96.8	Very high	94.9	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-36.2	179	-172.1	66.8	0	0	0	111.8	T79 L80 E81 E85 Y86 L95 A97 V102 G123 L175	T79-L83 WeakPolarHBondContact O-CB 3.19Å; T79-L83 PolarHBondContact O-N 2.9Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 3.08Å; L80-L83 VanDerWaalsContact O-N 3.16Å; E81-L83 VanDerWaalsContact C-N 3.33Å; L83-E85 PolarHBondContact O-N 2.79Å; L83-E85 VanDerWaalsContact O-N 3.17Å; L83-Y86 PolarHBondContact O-N 3.43Å; L83-L95 HydrophobicContact CD1-CB 3.54Å; L83-L95 HydrophobicContact CD1-CD1 4.28Å; L83-A97 HydrophobicContact CD2-CB 3.77Å; L83-V102 HydrophobicContact CD1-CG1 3.63Å; L83-V102 HydrophobicContact CD1-CG2 4.4Å; L83-G123 CarbonylContact C-O 3.41Å; L83-G123 VanDerWaalsContact O-CA 3.24Å; L83-G123 WeakPolarHBondContact O-CA 3.31Å; L83-L175 HydrophobicContact CD2-CD1 4.13Å
84	Q	95.5	Very high	95.2	Very high	62 Å²	62	57.4 Å²	57.4	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-22.2	-179.7	-73.5	174.3	16.8	0	0	114.1	L80 E81 Q82 Y86 G123	L80-Q84 WeakPolarHBondContact O-CG 3.25Å; L80-Q84 PolarHBondContact O-N 2.74Å; E81-Q84 PolarHBondContact O-N 3.3Å; Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q84-Y86 PolarHBondContact O-N 2.96Å; Q84-G123 VanDerWaalsContact CA-O 3.32Å; Q84-G123 WeakPolarHBondContact CA-O 3.36Å; Q84-G123 PolarHBondContact N-O 3.17Å
85	E	96.6	Very high	95.6	Very high	102 Å²	102	48.3 Å²	48.3	48%	0.477	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.8	174.9	-62.7	-179.5	-178.4	0	0	112.4	Q82 L83 D87 N91	Q82-E85 PolarHBondContact O-N 2.72Å; L83-E85 PolarHBondContact O-N 2.79Å; L83-E85 VanDerWaalsContact O-N 3.17Å; E85-D87 PolarHBondContact O-N 2.62Å; E85-N91 WeakPolarHBondContact O-CB 3.44Å; E85-N91 PolarHBondContact O-N 2.92Å
86	Y	97	Very high	95.8	Very high	23 Å²	23	46 Å²	46	9%	0.09	23%	0.229	C	C	.	.			trans	-100.5	56.1	-173.1	-60.5	-93.2	0	0	0	112.4	M73 F78 Q82 L83 Q84 N91 R93 I94 L95 G123	M73-Y86 HydrophobicContact CE-CE1 3.85Å; F78-Y86 HydrophobicContact CD1-CE2 4.36Å; F78-Y86 HydrophobicContact CE1-CD2 4.43Å; F78-Y86 AromaticContact CE1-CE2 3.88Å; F78-Y86 HydrophobicContact CE1-CE2 3.88Å; Q82-Y86 VanDerWaalsContact O-CD2 3.24Å; Q82-Y86 WeakPolarHBondContact O-CD2 3.38Å; Q82-Y86 WeakPolarHBondContact O-CE2 3.33Å; L83-Y86 PolarHBondContact O-N 3.43Å; Q84-Y86 PolarHBondContact O-N 2.96Å; Y86-N91 HydrophobicContact CD1-CB 4.29Å; Y86-N91 WeakPolarHBondContact CE1-ND2 3.38Å; Y86-R93 CarbonylContact C-O 3.51Å; Y86-R93 WeakPolarHBondContact CA-O 3.49Å; Y86-R93 HydrophobicContact CD1-CB 4.09Å; Y86-R93 HydrophobicContact CD1-CG 4.4Å; Y86-I94 WeakPolarHBondContact O-CA 3.49Å; Y86-L95 HydrophobicContact CD1-CD1 3.77Å; Y86-L95 HydrophobicContact CD1-CG 3.86Å; Y86-L95 HydrophobicContact CD2-CD1 3.75Å; Y86-L95 HydrophobicContact CD2-CG 4.33Å; Y86-L95 HydrophobicContact CE1-CD1 4.18Å; Y86-L95 HydrophobicContact CE2-CD1 4.19Å; Y86-L95 HydrophobicContact CG-CB 4.25Å; Y86-L95 HydrophobicContact CG-CD1 3.54Å; Y86-L95 HydrophobicContact CG-CG 3.66Å; Y86-L95 PolarHBondContact O-N 2.87Å; Y86-G123 PolarHBondContact O-N 2.89Å
87	D	96.1	Very high	95.9	Very high	33 Å²	33	41.5 Å²	41.5	18%	0.176	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-96.5	0.3	-176.2	65	3.5	0	0	0	114.2	E85 V89 Q90 A122	E85-D87 PolarHBondContact O-N 2.62Å; D87-V89 VanDerWaalsContact C-N 3.25Å; D87-V89 PolarHBondContact O-N 2.84Å; D87-V89 WeakPolarHBondContact OD1-CA 3.46Å; D87-V89 WeakPolarHBondContact OD1-CB 3.38Å; D87-V89 PolarHBondContact OD1-N 2.82Å; D87-Q90 PolarHBondContact OD1-N 2.53Å; D87-Q90 PolarHBondContact OD2-NE2 2.76Å; D87-A122 HydrophobicContact CB-CB 4.31Å; D87-A122 WeakPolarHBondContact O-CB 3.45Å
88	G	95.1	Very high	96	Very high	8 Å²	8	41 Å²	41	8%	0.082	21%	0.21	C	C	.	.	S	Bend	trans	80.9	-2	-175	0	0	0	0	0	115.3	N91 R93 I94 R109	G88-N91 CarbonylContact C-O 3.48Å; G88-N91 WeakPolarHBondContact CA-O 3.25Å; G88-N91 PolarHBondContact N-O 3.27Å; G88-N91 VanDerWaalsContact N-O 3.11Å; G88-R93 PolarHBondContact N-O 3.5Å; G88-I94 VanDerWaalsContact CA-CG1 3.48Å; G88-R109 PolarHBondContact O-NH1 3.04Å; G88-R109 PolarHBondContact O-NH2 2.91Å
89	V	93.9	Very high	96	Very high	89 Å²	89	42.8 Å²	42.8	54%	0.539	22%	0.219	S	C	.	.	S	Bend	trans	-114.5	-59	-179.8	-177.8	0	0	0	0	111	D87 N91 K114	D87-V89 VanDerWaalsContact C-N 3.25Å; D87-V89 PolarHBondContact O-N 2.84Å; D87-V89 WeakPolarHBondContact OD1-CA 3.46Å; D87-V89 WeakPolarHBondContact OD1-CB 3.38Å; D87-V89 PolarHBondContact OD1-N 2.82Å; V89-N91 PolarHBondContact N-O 2.78Å; V89-K114 HydrophobicContact CG2-CB 3.81Å; V89-K114 HydrophobicContact CG2-CD 3.94Å; V89-K114 HydrophobicContact CG2-CG 4.2Å
90	Q	93.1	Very high	96	Very high	144 Å²	144	42.7 Å²	42.7	67%	0.673	22%	0.216	S	C	*	.	S	Bend	trans	-71.2	-39.8	175.3	-65.8	176.2	78.8	0	0	110.5	D87	D87-Q90 PolarHBondContact OD1-N 2.53Å; D87-Q90 PolarHBondContact OD2-NE2 2.76Å
91	N	93.9	Very high	96.2	Very high	43 Å²	43	44.1 Å²	44.1	23%	0.23	22%	0.222	C	C	.	.	S	Bend	trans	-120	137.8	172.3	-167	-52	0	0	0	109.2	E85 Y86 G88 V89 R93	E85-N91 WeakPolarHBondContact O-CB 3.44Å; E85-N91 PolarHBondContact O-N 2.92Å; Y86-N91 HydrophobicContact CD1-CB 4.29Å; Y86-N91 WeakPolarHBondContact CE1-ND2 3.38Å; G88-N91 CarbonylContact C-O 3.48Å; G88-N91 WeakPolarHBondContact CA-O 3.25Å; G88-N91 PolarHBondContact N-O 3.27Å; G88-N91 VanDerWaalsContact N-O 3.11Å; V89-N91 PolarHBondContact N-O 2.78Å; N91-R93 PolarHBondContact O-N 3.09Å; N91-R93 VanDerWaalsContact OD1-CB 3.29Å; N91-R93 WeakPolarHBondContact OD1-CB 3.31Å; N91-R93 PolarHBondContact OD1-N 3.16Å
92	P	94.3	Very high	96.4	Very high	74 Å²	74	38.3 Å²	38.3	48%	0.481	20%	0.195	S	C	.	.	S	Bend	trans	-65.5	-16.2	174.7	27.6	-36.6	0	0	0	113.6	L70 R109	L70-P92 HydrophobicContact CD1-CB 4.34Å; L70-P92 HydrophobicContact CD1-CG 4.37Å; P92-R109 PolarHBondContact O-NH2 3.31Å
93	R	96.4	Very high	96.5	Very high	32 Å²	32	34.9 Å²	34.9	12%	0.121	18%	0.179	C	C	.	.	S	Bend	trans	-85.6	140.8	172.5	-168.6	-178.5	-58.2	-82.1	3.1	110	L70 T71 M73 Y86 G88 N91 L95 D104 T106	L70-R93 HydrophobicContact CD1-CB 3.71Å; L70-R93 HydrophobicContact CD1-CG 4.3Å; T71-R93 PolarHBondContact O-NH1 2.85Å; T71-R93 PolarHBondContact O-NH2 2.98Å; M73-R93 VanDerWaalsContact SD-CD 3.57Å; Y86-R93 CarbonylContact C-O 3.51Å; Y86-R93 WeakPolarHBondContact CA-O 3.49Å; Y86-R93 HydrophobicContact CD1-CB 4.09Å; Y86-R93 HydrophobicContact CD1-CG 4.4Å; G88-R93 PolarHBondContact N-O 3.5Å; N91-R93 PolarHBondContact O-N 3.09Å; N91-R93 VanDerWaalsContact OD1-CB 3.29Å; N91-R93 WeakPolarHBondContact OD1-CB 3.31Å; N91-R93 PolarHBondContact OD1-N 3.16Å; R93-L95 HydrophobicContact CG-CD2 4.06Å; R93-D104 WeakPolarHBondContact CD-OD2 3.3Å; R93-D104 IonicContact CZ-OD2 3.48Å; R93-D104 IonicContact NE-OD2 2.76Å; R93-D104 IonicContact NH1-OD2 3.4Å; R93-D104 PolarHBondContact NH1-OD2 3.17Å; R93-T106 WeakPolarHBondContact CA-OG1 3.49Å; R93-T106 WeakPolarHBondContact CG-OG1 3.48Å
94	I	97.8	Very high	96.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-111.2	116.3	175.9	-52.5	166.7	0	0	0	107.9	Y86 G88 V105 T106 R109 A122	Y86-I94 WeakPolarHBondContact O-CA 3.49Å; G88-I94 VanDerWaalsContact CA-CG1 3.48Å; I94-V105 HydrophobicContact CB-CG2 3.95Å; I94-V105 HydrophobicContact CG2-CG2 3.52Å; I94-V105 WeakPolarHBondContact O-CG2 3.13Å; I94-V105 PolarHBondContact O-N 3.35Å; I94-T106 PolarHBondContact N-OG1 3.45Å; I94-T106 PolarHBondContact O-N 3.33Å; I94-R109 HydrophobicContact CD1-CB 4.01Å; I94-R109 HydrophobicContact CD1-CG 4.16Å; I94-A122 HydrophobicContact CG2-CB 3.86Å
95	L	98.2	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150	172	-59	-174.3	0	0	0	109.8	M73 F78 L83 Y86 R93 V102 F103 D104 G123 V172	M73-L95 HydrophobicContact CE-CD1 4.43Å; M73-L95 HydrophobicContact SD-CD1 4.08Å; M73-L95 HydrophobicContact SD-CD2 4.27Å; F78-L95 HydrophobicContact CD1-CD1 4.31Å; F78-L95 HydrophobicContact CE1-CD1 3.59Å; F78-L95 HydrophobicContact CE2-CD1 4.16Å; F78-L95 HydrophobicContact CZ-CD1 3.5Å; L83-L95 HydrophobicContact CD1-CB 3.54Å; L83-L95 HydrophobicContact CD1-CD1 4.28Å; Y86-L95 HydrophobicContact CD1-CD1 3.77Å; Y86-L95 HydrophobicContact CD1-CG 3.86Å; Y86-L95 HydrophobicContact CD2-CD1 3.75Å; Y86-L95 HydrophobicContact CD2-CG 4.33Å; Y86-L95 HydrophobicContact CE1-CD1 4.18Å; Y86-L95 HydrophobicContact CE2-CD1 4.19Å; Y86-L95 HydrophobicContact CG-CB 4.25Å; Y86-L95 HydrophobicContact CG-CD1 3.54Å; Y86-L95 HydrophobicContact CG-CG 3.66Å; Y86-L95 PolarHBondContact O-N 2.87Å; R93-L95 HydrophobicContact CG-CD2 4.06Å; L95-V102 HydrophobicContact CB-CG1 4.03Å; L95-V102 HydrophobicContact CD1-CG1 4.19Å; L95-F103 WeakPolarHBondContact CA-O 3.46Å; L95-D104 HydrophobicContact CD2-CB 3.82Å; L95-G123 VanDerWaalsContact O-CA 3.32Å; L95-G123 WeakPolarHBondContact O-CA 3.39Å; L95-G123 PolarHBondContact O-N 3.26Å; L95-V172 HydrophobicContact CD2-CG2 4.04Å
96	M	98.1	Very high	96.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	135.8	176.7	-170.7	168.1	71.2	0	0	109.8	V98 F103 V105 Y112 F121 A126 F165	M96-V98 HydrophobicContact CE-CG2 4.27Å; M96-F103 PolarHBondContact N-O 3.06Å; M96-F103 PolarHBondContact O-N 2.94Å; M96-V105 HydrophobicContact CB-CG1 4.3Å; M96-V105 HydrophobicContact CB-CG2 4.1Å; M96-V105 HydrophobicContact CE-CG1 4.34Å; M96-Y112 HydrophobicContact CE-CD1 4.31Å; M96-Y112 HydrophobicContact CE-CE1 3.94Å; M96-Y112 HydrophobicContact SD-CD1 4.31Å; M96-Y112 HydrophobicContact SD-CE1 4.45Å; M96-F121 HydrophobicContact CG-CB 4.29Å; M96-F121 WeakPolarHBondContact CG-O 3.25Å; M96-F121 HydrophobicContact SD-CB 3.3Å; M96-F121 WeakPolarHBondContact SD-CB 2.97Å; M96-F121 HydrophobicContact SD-CG 4.23Å; M96-A126 HydrophobicContact CE-CB 4.41Å; M96-A126 HydrophobicContact CG-CB 3.85Å; M96-A126 HydrophobicContact SD-CB 3.74Å; M96-F165 HydrophobicContact CE-CD1 4.01Å; M96-F165 HydrophobicContact CE-CE1 3.01Å; M96-F165 HydrophobicContact CE-CE2 4.35Å; M96-F165 HydrophobicContact CE-CZ 3.2Å
97	A	98.1	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.5	174.3	0	0	0	0	0	110.8	L83 K101 V102 R124 D125 A126 L175	L83-A97 HydrophobicContact CD2-CB 3.77Å; A97-K101 CarbonylContact C-O 3.36Å; A97-K101 VanDerWaalsContact CA-O 3.25Å; A97-K101 WeakPolarHBondContact CA-O 3.3Å; A97-V102 HydrophobicContact CB-CG2 4.24Å; A97-R124 PolarHBondContact N-O 3.3Å; A97-D125 HydrophobicContact CB-CB 4.2Å; A97-A126 PolarHBondContact O-N 3.23Å; A97-L175 HydrophobicContact CB-CB 4.08Å; A97-L175 HydrophobicContact CB-CD2 3.76Å; A97-L175 HydrophobicContact CB-CG 4.37Å
98	V	97.8	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	122.1	171.6	-176	0	0	0	0	107.2	M96 M100 K101 F103 A126 L130 W161 E162 F165	M96-V98 HydrophobicContact CE-CG2 4.27Å; V98-M100 PolarHBondContact O-N 3.23Å; V98-K101 PolarHBondContact N-O 2.65Å; V98-K101 WeakPolarHBondContact O-CB 3.5Å; V98-K101 PolarHBondContact O-N 2.94Å; V98-F103 HydrophobicContact CB-CD2 4.4Å; V98-F103 HydrophobicContact CB-CE2 4.14Å; V98-A126 HydrophobicContact CG2-CB 4.46Å; V98-L130 HydrophobicContact CB-CD1 4.47Å; V98-L130 HydrophobicContact CG1-CD1 3.83Å; V98-L130 HydrophobicContact CG2-CD1 3.8Å; V98-W161 HydrophobicContact CG1-CB 4.28Å; V98-E162 HydrophobicContact CG1-CB 4.14Å; V98-F165 HydrophobicContact CG2-CD1 4.26Å; V98-F165 HydrophobicContact CG2-CD2 4.36Å; V98-F165 HydrophobicContact CG2-CE1 4.5Å; V98-F165 HydrophobicContact CG2-CG 4.2Å
99	N	96.9	Very high	96.5	Very high	37 Å²	37	34.8 Å²	34.8	20%	0.198	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	52.7	-179.2	-166.6	26.9	0	0	0	112.6	K101 S127 V158 E162	N99-K101 PolarHBondContact O-N 3.38Å; N99-K101 VanDerWaalsContact O-N 3.1Å; N99-S127 PolarHBondContact N-OG 3.07Å; N99-V158 HydrophobicContact CB-CG1 3.62Å; N99-E162 HydrophobicContact CB-CB 4.01Å; N99-E162 HydrophobicContact CB-CG 4.13Å
100	M	96.8	Very high	96.5	Very high	39 Å²	39	36.5 Å²	36.5	19%	0.192	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	8.4	-178.6	-56.9	-66.5	-73.2	0	0	115.6	V98 Y144 R174 L175 K177	V98-M100 PolarHBondContact O-N 3.23Å; M100-Y144 HydrophobicContact CE-CE2 3.71Å; M100-Y144 HydrophobicContact SD-CE2 3.72Å; M100-R174 WeakPolarHBondContact O-CA 3.47Å; M100-L175 WeakPolarHBondContact CE-O 3.16Å; M100-L175 PolarHBondContact O-N 2.87Å; M100-K177 HydrophobicContact CE-CD 4.18Å; M100-K177 HydrophobicContact CE-CG 3.33Å
101	K	97.8	Very high	96.6	Very high	45 Å²	45	32.9 Å²	32.9	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.6	177.4	-67.3	175	-174	164.3	0	109.8	A97 V98 N99 F103 E162 R166 Y171	A97-K101 CarbonylContact C-O 3.36Å; A97-K101 VanDerWaalsContact CA-O 3.25Å; A97-K101 WeakPolarHBondContact CA-O 3.3Å; V98-K101 PolarHBondContact N-O 2.65Å; V98-K101 WeakPolarHBondContact O-CB 3.5Å; V98-K101 PolarHBondContact O-N 2.94Å; N99-K101 PolarHBondContact O-N 3.38Å; N99-K101 VanDerWaalsContact O-N 3.1Å; K101-F103 HydrophobicContact CB-CE2 3.64Å; K101-F103 HydrophobicContact CB-CZ 3.8Å; K101-F103 HydrophobicContact CD-CZ 4.37Å; K101-F103 WeakPolarHBondContact O-CD2 3.27Å; K101-F103 WeakPolarHBondContact O-CE2 3.3Å; K101-E162 HydrophobicContact CD-CG 3.74Å; K101-E162 WeakPolarHBondContact CD-OE1 3.45Å; K101-E162 WeakPolarHBondContact CE-OE1 3.41Å; K101-E162 IonicContact NZ-OE1 2.87Å; K101-E162 PolarHBondContact NZ-OE1 3.28Å; K101-E162 IonicContact NZ-OE2 3.4Å; K101-E162 PolarHBondContact NZ-OE2 3.23Å; K101-R166 VanDerWaalsContact CE-NH2 3.32Å; K101-Y171 HydrophobicContact CB-CD2 4.02Å; K101-Y171 HydrophobicContact CB-CE2 3.67Å; K101-Y171 HydrophobicContact CD-CE2 4.29Å; K101-Y171 HydrophobicContact CG-CD2 4.43Å; K101-Y171 HydrophobicContact CG-CE2 3.79Å
102	V	98.2	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.8	-179.4	-173.6	0	0	0	0	109.2	F78 L83 L95 A97 V172 G173 L175	F78-V102 HydrophobicContact CB-CG2 4.41Å; F78-V102 HydrophobicContact CD2-CB 4.09Å; F78-V102 HydrophobicContact CD2-CG1 3.99Å; F78-V102 HydrophobicContact CD2-CG2 3.93Å; F78-V102 HydrophobicContact CE2-CB 4.41Å; F78-V102 HydrophobicContact CE2-CG1 4.1Å; L83-V102 HydrophobicContact CD1-CG1 3.63Å; L83-V102 HydrophobicContact CD1-CG2 4.4Å; L95-V102 HydrophobicContact CB-CG1 4.03Å; L95-V102 HydrophobicContact CD1-CG1 4.19Å; A97-V102 HydrophobicContact CB-CG2 4.24Å; V102-V172 HydrophobicContact CB-CG2 4.01Å; V102-V172 HydrophobicContact CG1-CG2 3.62Å; V102-V172 WeakPolarHBondContact O-CG2 3.3Å; V102-V172 PolarHBondContact O-N 3.46Å; V102-G173 WeakPolarHBondContact CB-O 3.46Å; V102-G173 PolarHBondContact N-O 3.42Å; V102-L175 HydrophobicContact CG2-CB 4.11Å
103	F	98.2	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143	179.1	-60.3	-83.6	0	0	0	110.7	L95 M96 V98 K101 V105 E162 F165 R166 D170 Y171	L95-F103 WeakPolarHBondContact CA-O 3.46Å; M96-F103 PolarHBondContact N-O 3.06Å; M96-F103 PolarHBondContact O-N 2.94Å; V98-F103 HydrophobicContact CB-CD2 4.4Å; V98-F103 HydrophobicContact CB-CE2 4.14Å; K101-F103 HydrophobicContact CB-CE2 3.64Å; K101-F103 HydrophobicContact CB-CZ 3.8Å; K101-F103 HydrophobicContact CD-CZ 4.37Å; K101-F103 WeakPolarHBondContact O-CD2 3.27Å; K101-F103 WeakPolarHBondContact O-CE2 3.3Å; F103-V105 HydrophobicContact CB-CG1 4.14Å; F103-V105 PolarHBondContact O-N 3.27Å; F103-E162 HydrophobicContact CE2-CG 4.44Å; F103-E162 HydrophobicContact CZ-CG 4.22Å; F103-F165 HydrophobicContact CB-CD1 4.45Å; F103-F165 HydrophobicContact CD1-CB 4.33Å; F103-F165 HydrophobicContact CD2-CB 3.97Å; F103-F165 HydrophobicContact CD2-CD1 4.35Å; F103-F165 HydrophobicContact CE1-CB 4.31Å; F103-F165 HydrophobicContact CE2-CB 3.93Å; F103-F165 HydrophobicContact CG-CB 4.16Å; F103-F165 HydrophobicContact CG-CD1 4.44Å; F103-F165 HydrophobicContact CZ-CB 4.1Å; F103-R166 HydrophobicContact CE1-CB 3.89Å; F103-R166 HydrophobicContact CZ-CB 4.23Å; F103-D170 CarbonylContact C-O 3.29Å; F103-D170 VanDerWaalsContact CA-O 3.28Å; F103-D170 WeakPolarHBondContact CA-O 3.34Å; F103-Y171 HydrophobicContact CD1-CD2 4.5Å; F103-Y171 HydrophobicContact CE1-CD2 4.06Å; F103-Y171 HydrophobicContact CZ-CD2 4.37Å
104	D	97.8	Very high	96.6	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	104.8	168.2	-171.4	-19.6	0	0	0	110.4	R93 L95 T106 Y169 D170 V172	R93-D104 WeakPolarHBondContact CD-OD2 3.3Å; R93-D104 IonicContact CZ-OD2 3.48Å; R93-D104 IonicContact NE-OD2 2.76Å; R93-D104 IonicContact NH1-OD2 3.4Å; R93-D104 PolarHBondContact NH1-OD2 3.17Å; L95-D104 HydrophobicContact CD2-CB 3.82Å; D104-T106 WeakPolarHBondContact OD1-CB 3.25Å; D104-T106 PolarHBondContact OD1-N 3.2Å; D104-T106 PolarHBondContact OD1-OG1 2.95Å; D104-Y169 WeakPolarHBondContact O-CB 3.43Å; D104-D170 HydrophobicContact CB-CB 4.32Å; D104-D170 PolarHBondContact N-O 3.04Å; D104-V172 HydrophobicContact CB-CG1 3.87Å
105	V	97.6	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.			trans	-102.6	18.2	-176.6	-56.2	0	0	0	0	111.9	I94 M96 F103 S107 G108 Y112 F165 Y169	I94-V105 HydrophobicContact CB-CG2 3.95Å; I94-V105 HydrophobicContact CG2-CG2 3.52Å; I94-V105 WeakPolarHBondContact O-CG2 3.13Å; I94-V105 PolarHBondContact O-N 3.35Å; M96-V105 HydrophobicContact CB-CG1 4.3Å; M96-V105 HydrophobicContact CB-CG2 4.1Å; M96-V105 HydrophobicContact CE-CG1 4.34Å; F103-V105 HydrophobicContact CB-CG1 4.14Å; F103-V105 PolarHBondContact O-N 3.27Å; V105-S107 VanDerWaalsContact C-N 3.26Å; V105-S107 PolarHBondContact O-N 2.92Å; V105-G108 CarbonylContact O-C 3.08Å; V105-G108 VanDerWaalsContact O-CA 3.27Å; V105-G108 WeakPolarHBondContact O-CA 3.49Å; V105-G108 PolarHBondContact O-N 2.84Å; V105-Y112 HydrophobicContact CB-CD2 3.66Å; V105-Y112 HydrophobicContact CB-CE2 3.8Å; V105-Y112 HydrophobicContact CB-CG 4.46Å; V105-Y112 HydrophobicContact CG1-CE2 4.35Å; V105-Y112 HydrophobicContact CG2-CD2 3.66Å; V105-Y112 HydrophobicContact CG2-CE2 4.25Å; V105-Y112 HydrophobicContact CG2-CG 4.01Å; V105-F165 HydrophobicContact CG1-CD1 4.11Å; V105-F165 HydrophobicContact CG1-CE1 3.87Å; V105-Y169 HydrophobicContact CB-CD1 4.27Å; V105-Y169 HydrophobicContact CB-CE1 4.3Å; V105-Y169 HydrophobicContact CB-CG 4.49Å; V105-Y169 HydrophobicContact CG1-CD1 4.19Å; V105-Y169 HydrophobicContact CG1-CD2 3.9Å; V105-Y169 HydrophobicContact CG1-CE1 4.47Å; V105-Y169 HydrophobicContact CG1-CE2 4.15Å; V105-Y169 HydrophobicContact CG1-CG 3.91Å
106	T	96.4	Very high	96.1	Very high	21 Å²	21	42.5 Å²	42.5	13%	0.129	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-59.2	-35.9	-178.2	-54.4	0	0	0	0	112.4	L70 R93 I94 D104 G108 R109	L70-T106 HydrophobicContact CD1-CG2 4.09Å; R93-T106 WeakPolarHBondContact CA-OG1 3.49Å; R93-T106 WeakPolarHBondContact CG-OG1 3.48Å; I94-T106 PolarHBondContact N-OG1 3.45Å; I94-T106 PolarHBondContact O-N 3.33Å; D104-T106 WeakPolarHBondContact OD1-CB 3.25Å; D104-T106 PolarHBondContact OD1-N 3.2Å; D104-T106 PolarHBondContact OD1-OG1 2.95Å; T106-G108 PolarHBondContact O-N 3.19Å; T106-R109 VanDerWaalsContact O-CB 3.3Å; T106-R109 WeakPolarHBondContact O-CB 3.39Å; T106-R109 PolarHBondContact O-N 3.29Å
107	S	94.8	Very high	95.9	Very high	102 Å²	102	46.6 Å²	46.6	71%	0.713	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-61.7	-23.2	173.3	61.4	0	0	0	0	112.8	V105	V105-S107 VanDerWaalsContact C-N 3.26Å; V105-S107 PolarHBondContact O-N 2.92Å
108	G	95.1	Very high	95.7	Very high	4 Å²	4	52.1 Å²	52.1	4%	0.041	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-90.2	20.1	173.5	0	0	0	0	0	114.4	V105 T106 K110 F111 Y112	V105-G108 CarbonylContact O-C 3.08Å; V105-G108 VanDerWaalsContact O-CA 3.27Å; V105-G108 WeakPolarHBondContact O-CA 3.49Å; V105-G108 PolarHBondContact O-N 2.84Å; T106-G108 PolarHBondContact O-N 3.19Å; G108-K110 PolarHBondContact O-N 3.05Å; G108-F111 WeakPolarHBondContact O-CA 3.47Å; G108-F111 WeakPolarHBondContact O-CB 3.41Å; G108-F111 PolarHBondContact O-N 2.86Å; G108-Y112 VanDerWaalsContact O-CD2 3.31Å; G108-Y112 WeakPolarHBondContact O-CD2 3.33Å; G108-Y112 PolarHBondContact O-N 3.28Å; G108-Y112 VanDerWaalsContact O-N 3.08Å
109	R	95.3	Very high	95.6	Very high	88 Å²	88	52.9 Å²	52.9	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-50.6	-31.9	-176.7	175.9	175.7	-81.7	-91.1	-1.7	114.8	G88 P92 I94 T106 F111 G113	G88-R109 PolarHBondContact O-NH1 3.04Å; G88-R109 PolarHBondContact O-NH2 2.91Å; P92-R109 PolarHBondContact O-NH2 3.31Å; I94-R109 HydrophobicContact CD1-CB 4.01Å; I94-R109 HydrophobicContact CD1-CG 4.16Å; T106-R109 VanDerWaalsContact O-CB 3.3Å; T106-R109 WeakPolarHBondContact O-CB 3.39Å; T106-R109 PolarHBondContact O-N 3.29Å; R109-F111 PolarHBondContact O-N 2.82Å; R109-G113 VanDerWaalsContact O-CA 3.23Å; R109-G113 WeakPolarHBondContact O-CA 3.23Å; R109-G113 PolarHBondContact O-N 3.48Å
110	K	95	Very high	95.4	Very high	125 Å²	125	54.2 Å²	54.2	54%	0.543	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-22.2	174.3	67.2	-175.5	-179.5	-176.9	0	114.2	G108	G108-K110 PolarHBondContact O-N 3.05Å
111	F	95.3	Very high	95.4	Very high	69 Å²	69	52.9 Å²	52.9	30%	0.303	27%	0.27	S	S	.	.	H	α-helix	trans	-99.3	-47.9	179.5	-62.7	-66.2	0	0	0	112	G108 R109 G116 P117 Y118 G119	G108-F111 WeakPolarHBondContact O-CA 3.47Å; G108-F111 WeakPolarHBondContact O-CB 3.41Å; G108-F111 PolarHBondContact O-N 2.86Å; R109-F111 PolarHBondContact O-N 2.82Å; F111-G116 CarbonylContact O-C 3.56Å; F111-G116 VanDerWaalsContact O-C 3.29Å; F111-G116 WeakPolarHBondContact O-CA 3.38Å; F111-P117 HydrophobicContact CD1-CG 4.44Å; F111-Y118 HydrophobicContact CB-CD2 4.13Å; F111-Y118 HydrophobicContact CD1-CD2 4.4Å; F111-Y118 HydrophobicContact CD1-CE2 4.41Å; F111-Y118 CarbonylContact O-C 3.58Å; F111-Y118 WeakPolarHBondContact O-CA 3.45Å; F111-Y118 WeakPolarHBondContact O-CB 3.5Å; F111-Y118 PolarHBondContact O-N 3.46Å; F111-G119 PolarHBondContact O-N 3.39Å
112	Y	96.4	Very high	95.3	Very high	22 Å²	22	51.2 Å²	51.2	9%	0.086	27%	0.265	C	S	.	.	H	α-helix	trans	-105.6	-2.9	-171.7	-43.3	-70.9	0	0	0	113.9	M96 V105 G108 G119 A122 F165 Y169	M96-Y112 HydrophobicContact CE-CD1 4.31Å; M96-Y112 HydrophobicContact CE-CE1 3.94Å; M96-Y112 HydrophobicContact SD-CD1 4.31Å; M96-Y112 HydrophobicContact SD-CE1 4.45Å; V105-Y112 HydrophobicContact CB-CD2 3.66Å; V105-Y112 HydrophobicContact CB-CE2 3.8Å; V105-Y112 HydrophobicContact CB-CG 4.46Å; V105-Y112 HydrophobicContact CG1-CE2 4.35Å; V105-Y112 HydrophobicContact CG2-CD2 3.66Å; V105-Y112 HydrophobicContact CG2-CE2 4.25Å; V105-Y112 HydrophobicContact CG2-CG 4.01Å; G108-Y112 VanDerWaalsContact O-CD2 3.31Å; G108-Y112 WeakPolarHBondContact O-CD2 3.33Å; G108-Y112 PolarHBondContact O-N 3.28Å; G108-Y112 VanDerWaalsContact O-N 3.08Å; Y112-G119 WeakPolarHBondContact O-CA 3.44Å; Y112-A122 WeakPolarHBondContact O-CB 3.28Å; Y112-F165 HydrophobicContact CE1-CZ 4.41Å; Y112-F165 WeakPolarHBondContact OH-CZ 3.47Å; Y112-Y169 HydrophobicContact CE2-CE1 4.41Å; Y112-Y169 HydrophobicContact CE2-CE2 4.3Å; Y112-Y169 AromaticContact CE2-CZ 3.75Å; Y112-Y169 VanDerWaalsContact CE2-OH 3.23Å; Y112-Y169 WeakPolarHBondContact CE2-OH 3.49Å; Y112-Y169 PolarHBondContact OH-OH 2.93Å; Y112-Y169 VanDerWaalsContact OH-OH 3.07Å
113	G	95.3	Very high	95.3	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	27%	0.265	C	S	.	.	S	Bend	trans	-66.1	167.5	171.5	0	0	0	0	0	111.1	R109 D115 G116 G119	R109-G113 VanDerWaalsContact O-CA 3.23Å; R109-G113 WeakPolarHBondContact O-CA 3.23Å; R109-G113 PolarHBondContact O-N 3.48Å; G113-D115 PolarHBondContact O-N 3.46Å; G113-G116 WeakPolarHBondContact O-CA 3.29Å; G113-G116 PolarHBondContact O-N 3.25Å; G113-G119 VanDerWaalsContact O-CA 3.29Å; G113-G119 WeakPolarHBondContact O-CA 3.49Å
114	K	93	Very high	95.2	Very high	153 Å²	153	54.5 Å²	54.5	67%	0.665	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	-40.1	-179.2	-178.6	-179.6	174.4	-179.7	0	114.6	V89	V89-K114 HydrophobicContact CG2-CB 3.81Å; V89-K114 HydrophobicContact CG2-CD 3.94Å; V89-K114 HydrophobicContact CG2-CG 4.2Å
115	D	92.7	Very high	95.1	Very high	156 Å²	156	54.9 Å²	54.9	83%	0.834	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	3.2	-177	-52	-53.1	0	0	0	112.9	G113	G113-D115 PolarHBondContact O-N 3.46Å
116	G	92.8	Very high	95.1	Very high	15 Å²	15	54.9 Å²	54.9	16%	0.155	28%	0.279	C	S	.	.	S	Bend	trans	-81.2	154.1	178.8	0	0	0	0	0	112.5	F111 G113 Y118 G119	F111-G116 CarbonylContact O-C 3.56Å; F111-G116 VanDerWaalsContact O-C 3.29Å; F111-G116 WeakPolarHBondContact O-CA 3.38Å; G113-G116 WeakPolarHBondContact O-CA 3.29Å; G113-G116 PolarHBondContact O-N 3.25Å; G116-Y118 PolarHBondContact O-N 2.98Å; G116-Y118 VanDerWaalsContact O-N 3.08Å; G116-G119 PolarHBondContact O-N 3.09Å
117	P	93.1	Very high	95.1	Very high	88 Å²	88	53.9 Å²	53.9	57%	0.571	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.3	-177.9	25.6	-36.6	0	0	0	114.1	F111	F111-P117 HydrophobicContact CD1-CG 4.44Å
118	Y	94.2	Very high	95.1	Very high	115 Å²	115	50.3 Å²	50.3	45%	0.451	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	18.3	-179.5	-53.2	-55.5	0	0	0	112	F111 G116 I120 F121	F111-Y118 HydrophobicContact CB-CD2 4.13Å; F111-Y118 HydrophobicContact CD1-CD2 4.4Å; F111-Y118 HydrophobicContact CD1-CE2 4.41Å; F111-Y118 CarbonylContact O-C 3.58Å; F111-Y118 WeakPolarHBondContact O-CA 3.45Å; F111-Y118 WeakPolarHBondContact O-CB 3.5Å; F111-Y118 PolarHBondContact O-N 3.46Å; G116-Y118 PolarHBondContact O-N 2.98Å; G116-Y118 VanDerWaalsContact O-N 3.08Å; Y118-I120 PolarHBondContact O-N 2.87Å; Y118-I120 VanDerWaalsContact O-N 3.13Å; Y118-F121 PolarHBondContact O-N 3.11Å; Y118-F121 VanDerWaalsContact O-N 3.17Å
119	G	94.4	Very high	95	Very high	16 Å²	16	50.2 Å²	50.2	17%	0.165	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.8	-178.4	0	0	0	0	0	114.6	F111 Y112 G113 G116 F121 A122	F111-G119 PolarHBondContact O-N 3.39Å; Y112-G119 WeakPolarHBondContact O-CA 3.44Å; G113-G119 VanDerWaalsContact O-CA 3.29Å; G113-G119 WeakPolarHBondContact O-CA 3.49Å; G116-G119 PolarHBondContact O-N 3.09Å; G119-F121 PolarHBondContact O-N 3Å; G119-A122 VanDerWaalsContact O-CB 3.25Å; G119-A122 WeakPolarHBondContact O-CB 3.37Å; G119-A122 PolarHBondContact O-N 3.4Å; G119-A122 VanDerWaalsContact O-N 3.15Å
120	I	93.7	Very high	94.9	Very high	66 Å²	66	47.1 Å²	47.1	34%	0.338	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.4	-24.7	176	68.6	179.4	0	0	0	113.5	Y118 S135 L140	Y118-I120 PolarHBondContact O-N 2.87Å; Y118-I120 VanDerWaalsContact O-N 3.13Å; I120-S135 VanDerWaalsContact CD1-CA 3.41Å; I120-S135 WeakPolarHBondContact CD1-O 3.36Å; I120-L140 HydrophobicContact CB-CD1 4.1Å; I120-L140 HydrophobicContact CD1-CD1 4.49Å; I120-L140 HydrophobicContact CG1-CD1 4.29Å; I120-L140 VanDerWaalsContact O-CD1 3.31Å; I120-L140 WeakPolarHBondContact O-CD1 3.37Å
121	F	95.9	Very high	94.8	Very high	11 Å²	11	41.4 Å²	41.4	5%	0.048	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-90.3	-5.8	-177.6	-61.6	-64	0	0	0	112.8	M96 Y118 G119 G123 R124 A126 L140	M96-F121 HydrophobicContact CG-CB 4.29Å; M96-F121 WeakPolarHBondContact CG-O 3.25Å; M96-F121 HydrophobicContact SD-CB 3.3Å; M96-F121 WeakPolarHBondContact SD-CB 2.97Å; M96-F121 HydrophobicContact SD-CG 4.23Å; Y118-F121 PolarHBondContact O-N 3.11Å; Y118-F121 VanDerWaalsContact O-N 3.17Å; G119-F121 PolarHBondContact O-N 3Å; F121-G123 PolarHBondContact O-N 3.31Å; F121-R124 WeakPolarHBondContact O-CB 3.23Å; F121-R124 PolarHBondContact O-N 2.98Å; F121-R124 VanDerWaalsContact O-N 3.08Å; F121-A126 HydrophobicContact CB-CB 4.03Å; F121-A126 HydrophobicContact CD1-CB 3.55Å; F121-A126 HydrophobicContact CE1-CB 4.16Å; F121-A126 HydrophobicContact CG-CB 3.88Å; F121-L140 HydrophobicContact CD1-CD2 3.6Å; F121-L140 HydrophobicContact CE1-CD2 3.64Å
122	A	96.8	Very high	94.5	Very high	10 Å²	10	40.5 Å²	40.5	8%	0.083	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	124.6	179.2	0	0	0	0	0	111	D87 I94 Y112 G119 R124	D87-A122 HydrophobicContact CB-CB 4.31Å; D87-A122 WeakPolarHBondContact O-CB 3.45Å; I94-A122 HydrophobicContact CG2-CB 3.86Å; Y112-A122 WeakPolarHBondContact O-CB 3.28Å; G119-A122 VanDerWaalsContact O-CB 3.25Å; G119-A122 WeakPolarHBondContact O-CB 3.37Å; G119-A122 PolarHBondContact O-N 3.4Å; G119-A122 VanDerWaalsContact O-N 3.15Å; A122-R124 VanDerWaalsContact C-N 3.29Å; A122-R124 PolarHBondContact O-N 3.04Å
123	G	97	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	21.2	-176.8	0	0	0	0	0	114.3	L83 Q84 Y86 L95 F121	L83-G123 CarbonylContact C-O 3.41Å; L83-G123 VanDerWaalsContact O-CA 3.24Å; L83-G123 WeakPolarHBondContact O-CA 3.31Å; Q84-G123 VanDerWaalsContact CA-O 3.32Å; Q84-G123 WeakPolarHBondContact CA-O 3.36Å; Q84-G123 PolarHBondContact N-O 3.17Å; Y86-G123 PolarHBondContact O-N 2.89Å; L95-G123 VanDerWaalsContact O-CA 3.32Å; L95-G123 WeakPolarHBondContact O-CA 3.39Å; L95-G123 PolarHBondContact O-N 3.26Å; F121-G123 PolarHBondContact O-N 3.31Å
124	R	96.3	Very high	93.4	Very high	69 Å²	69	48.4 Å²	48.4	26%	0.26	25%	0.247	S	C	.	.	S	Bend	trans	-126.6	167.2	-175.5	-56.2	-71.7	176.2	177.6	-4.3	112.4	A97 F121 A122 D142	A97-R124 PolarHBondContact N-O 3.3Å; F121-R124 WeakPolarHBondContact O-CB 3.23Å; F121-R124 PolarHBondContact O-N 2.98Å; F121-R124 VanDerWaalsContact O-N 3.08Å; A122-R124 VanDerWaalsContact C-N 3.29Å; A122-R124 PolarHBondContact O-N 3.04Å; R124-D142 IonicContact CZ-OD1 3.61Å; R124-D142 IonicContact NH1-OD1 3.66Å; R124-D142 PolarHBondContact NH1-OD1 3.45Å
125	D	96.9	Very high	92.6	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.102	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-81.3	112.6	159.2	-170.6	-4.7	0	0	0	110.1	L80 A97 S127 L175	L80-D125 HydrophobicContact CD2-CB 4.3Å; A97-D125 HydrophobicContact CB-CB 4.2Å; D125-S127 WeakPolarHBondContact OD1-CB 3.32Å; D125-S127 PolarHBondContact OD1-N 2.93Å; D125-S127 PolarHBondContact OD1-OG 3.16Å; D125-L175 HydrophobicContact CB-CD2 3.86Å
126	A	96.4	Very high	91.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.			trans	-89	-3.5	-179.2	0	0	0	0	0	113	M96 A97 V98 F121 R128 G129 L130	M96-A126 HydrophobicContact CE-CB 4.41Å; M96-A126 HydrophobicContact CG-CB 3.85Å; M96-A126 HydrophobicContact SD-CB 3.74Å; A97-A126 PolarHBondContact O-N 3.23Å; V98-A126 HydrophobicContact CG2-CB 4.46Å; F121-A126 HydrophobicContact CB-CB 4.03Å; F121-A126 HydrophobicContact CD1-CB 3.55Å; F121-A126 HydrophobicContact CE1-CB 4.16Å; F121-A126 HydrophobicContact CG-CB 3.88Å; A126-R128 PolarHBondContact O-N 3.35Å; A126-G129 PolarHBondContact O-N 2.93Å; A126-L130 HydrophobicContact CB-CD1 3.95Å; A126-L130 HydrophobicContact CB-CG 4.2Å; A126-L130 WeakPolarHBondContact O-CB 3.37Å; A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.18Å; A126-L130 PolarHBondContact O-N 3.25Å
127	S	96.1	Very high	90.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-52	-52.5	-169.3	-58	0	0	0	0	113.1	N99 D125 L130 A131 L147 V158	N99-S127 PolarHBondContact N-OG 3.07Å; D125-S127 WeakPolarHBondContact OD1-CB 3.32Å; D125-S127 PolarHBondContact OD1-N 2.93Å; D125-S127 PolarHBondContact OD1-OG 3.16Å; S127-L130 PolarHBondContact O-N 2.96Å; S127-A131 WeakPolarHBondContact O-CB 3.45Å; S127-A131 PolarHBondContact O-N 3.37Å; S127-L147 VanDerWaalsContact CB-CD1 3.45Å; S127-V158 WeakPolarHBondContact O-CG2 3.36Å
128	R	95	Very high	89.8	Confident	27 Å²	27	54.2 Å²	54.2	10%	0.102	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-46	-179.8	-178.3	176.5	-60.8	-85.1	-5.2	112.3	A126 L130 A131 T132 D145 D146 L147 D149	A126-R128 PolarHBondContact O-N 3.35Å; R128-L130 PolarHBondContact O-N 3.47Å; R128-A131 WeakPolarHBondContact O-CB 3.36Å; R128-A131 PolarHBondContact O-N 3.03Å; R128-T132 HydrophobicContact CG-CG2 4.27Å; R128-T132 PolarHBondContact O-N 2.92Å; R128-T132 PolarHBondContact O-OG1 3.32Å; R128-D145 VanDerWaalsContact CB-OD2 3.24Å; R128-D145 WeakPolarHBondContact CB-OD2 3.05Å; R128-D145 WeakPolarHBondContact CD-OD2 3.12Å; R128-D145 IonicContact CZ-OD1 3.91Å; R128-D145 IonicContact CZ-OD2 3.17Å; R128-D145 IonicContact NE-OD1 3.1Å; R128-D145 PolarHBondContact NE-OD1 3.08Å; R128-D145 IonicContact NE-OD2 3.3Å; R128-D145 PolarHBondContact NE-OD2 3.08Å; R128-D145 IonicContact NH2-OD1 2.79Å; R128-D145 PolarHBondContact NH2-OD1 3.1Å; R128-D145 IonicContact NH2-OD2 3.35Å; R128-D146 PolarHBondContact NH2-O 3.22Å; R128-L147 HydrophobicContact CB-CD2 4.1Å; R128-D149 IonicContact CZ-OD1 3.35Å; R128-D149 IonicContact CZ-OD2 3.53Å; R128-D149 IonicContact NH1-OD1 3.23Å; R128-D149 PolarHBondContact NH1-OD1 3.46Å; R128-D149 VanDerWaalsContact NH1-OD1 3.09Å; R128-D149 IonicContact NH1-OD2 2.86Å; R128-D149 PolarHBondContact NH1-OD2 3.35Å; R128-D149 IonicContact NH2-OD1 3.09Å; R128-D149 PolarHBondContact NH2-OD1 2.87Å; R128-D149 IonicContact NH2-OD2 3.36Å; R128-D149 PolarHBondContact NH2-OD2 3.42Å
129	G	93.9	Very high	88.6	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-39.1	179	0	0	0	0	0	112.5	A126 F133 C134	A126-G129 PolarHBondContact O-N 2.93Å; G129-F133 CarbonylContact O-C 3.52Å; G129-F133 WeakPolarHBondContact O-CA 2.86Å; G129-F133 PolarHBondContact O-N 3.27Å; G129-C134 VanDerWaalsContact CA-O 3.25Å; G129-C134 WeakPolarHBondContact CA-O 3.41Å; G129-C134 PolarHBondContact O-N 3.18Å
130	L	93.6	Very high	87.9	Confident	23 Å²	23	50 Å²	50	12%	0.12	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-41.7	173.2	-68.3	171.9	0	0	0	112.2	V98 A126 S127 R128 T132 W161 F165	V98-L130 HydrophobicContact CB-CD1 4.47Å; V98-L130 HydrophobicContact CG1-CD1 3.83Å; V98-L130 HydrophobicContact CG2-CD1 3.8Å; A126-L130 HydrophobicContact CB-CD1 3.95Å; A126-L130 HydrophobicContact CB-CG 4.2Å; A126-L130 WeakPolarHBondContact O-CB 3.37Å; A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.18Å; A126-L130 PolarHBondContact O-N 3.25Å; S127-L130 PolarHBondContact O-N 2.96Å; R128-L130 PolarHBondContact O-N 3.47Å; L130-T132 VanDerWaalsContact C-N 3.34Å; L130-T132 PolarHBondContact O-N 3.04Å; L130-W161 HydrophobicContact CB-CG 4.15Å; L130-W161 HydrophobicContact CD1-CB 4.09Å; L130-W161 HydrophobicContact CD1-CG 4.2Å; L130-W161 HydrophobicContact CD2-CD2 4.07Å; L130-W161 HydrophobicContact CD2-CG 4.25Å; L130-W161 HydrophobicContact CG-CG 4.43Å; L130-F165 HydrophobicContact CD1-CE2 4.49Å
131	A	93.1	Very high	87.4	Confident	4 Å²	4	52.3 Å²	52.3	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-39.7	178.4	0	0	0	0	0	113	S127 R128 L150 Q154 V158	S127-A131 WeakPolarHBondContact O-CB 3.45Å; S127-A131 PolarHBondContact O-N 3.37Å; R128-A131 WeakPolarHBondContact O-CB 3.36Å; R128-A131 PolarHBondContact O-N 3.03Å; A131-L150 HydrophobicContact CB-CD1 3.68Å; A131-L150 HydrophobicContact CB-CD2 4.44Å; A131-Q154 HydrophobicContact CB-CB 4.13Å; A131-V158 HydrophobicContact CB-CG2 3.35Å
132	T	88.7	Confident	86.9	Confident	51 Å²	51	56.7 Å²	56.7	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-98	-0	-174.4	62.5	0	0	0	0	113.1	R128 L130 C134	R128-T132 HydrophobicContact CG-CG2 4.27Å; R128-T132 PolarHBondContact O-N 2.92Å; R128-T132 PolarHBondContact O-OG1 3.32Å; L130-T132 VanDerWaalsContact C-N 3.34Å; L130-T132 PolarHBondContact O-N 3.04Å; T132-C134 PolarHBondContact O-N 3.15Å; T132-C134 VanDerWaalsContact OG1-CB 3.28Å; T132-C134 WeakPolarHBondContact OG1-CB 3.44Å
133	F	86.1	Confident	86.5	Confident	157 Å²	157	63.7 Å²	63.7	69%	0.689	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	36.3	-170.1	-60.9	-86.2	0	0	0	112.8	G129	G129-F133 CarbonylContact O-C 3.52Å; G129-F133 WeakPolarHBondContact O-CA 2.86Å; G129-F133 PolarHBondContact O-N 3.27Å
134	C	82.6	Confident	86.2	Confident	34 Å²	34	66.3 Å²	66.3	23%	0.23	32%	0.317	C	S	.	.			trans	-111.6	119.3	-178.5	-170.3	0	0	0	0	109.2	G129 T132 A139	G129-C134 VanDerWaalsContact CA-O 3.25Å; G129-C134 WeakPolarHBondContact CA-O 3.41Å; G129-C134 PolarHBondContact O-N 3.18Å; T132-C134 PolarHBondContact O-N 3.15Å; T132-C134 VanDerWaalsContact OG1-CB 3.28Å; T132-C134 WeakPolarHBondContact OG1-CB 3.44Å; C134-A139 HydrophobicContact CB-CB 3.78Å
135	S	75.8	Confident	86.1	Confident	68 Å²	68	63.4 Å²	63.4	48%	0.476	31%	0.307	S	S	.	.			trans	-107.4	34.1	175.5	66.2	0	0	0	0	111.2	I120	I120-S135 VanDerWaalsContact CD1-CA 3.41Å; I120-S135 WeakPolarHBondContact CD1-O 3.36Å
136	E	78.3	Confident	85.8	Confident	117 Å²	117	66.4 Å²	66.4	55%	0.547	32%	0.323	S	S	.	.	S	Bend	trans	-100.9	150.6	176.3	-62.9	-178.5	172.9	0	0	109.8	E138 A139	E136-E138 PolarHBondContact O-N 3.18Å; E136-E138 VanDerWaalsContact O-N 3.08Å; E136-A139 PolarHBondContact O-N 2.84Å
137	K	71.7	Confident	85.7	Confident	171 Å²	171	67.3 Å²	67.3	74%	0.743	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-58.3	-26.5	-179.2	-168.7	176	179.5	-177.6	0	112.4	A139 L140	K137-A139 VanDerWaalsContact C-N 3.29Å; K137-A139 PolarHBondContact O-N 3.13Å; K137-L140 PolarHBondContact O-N 3.19Å
138	E	69.8	Low	85.6	Confident	178 Å²	178	71.9 Å²	71.9	83%	0.832	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-70.6	-23.3	179.6	-64.3	166.8	-167.9	0	0	113.1	E136 L140	E136-E138 PolarHBondContact O-N 3.18Å; E136-E138 VanDerWaalsContact O-N 3.08Å; E138-L140 VanDerWaalsContact C-N 3.31Å
139	A	67.8	Low	85.5	Confident	14 Å²	14	75 Å²	75	12%	0.116	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-84.3	-8	174	0	0	0	0	0	112.9	C134 E136 K137	C134-A139 HydrophobicContact CB-CB 3.78Å; E136-A139 PolarHBondContact O-N 2.84Å; K137-A139 VanDerWaalsContact C-N 3.29Å; K137-A139 PolarHBondContact O-N 3.13Å
140	L	79.8	Confident	85.5	Confident	28 Å²	28	75.7 Å²	75.7	15%	0.147	38%	0.382	C	S	.	.			trans	-96.2	130.7	175.9	-62.1	176.1	0	0	0	109.6	I120 F121 K137 E138	I120-L140 HydrophobicContact CB-CD1 4.1Å; I120-L140 HydrophobicContact CD1-CD1 4.49Å; I120-L140 HydrophobicContact CG1-CD1 4.29Å; I120-L140 VanDerWaalsContact O-CD1 3.31Å; I120-L140 WeakPolarHBondContact O-CD1 3.37Å; F121-L140 HydrophobicContact CD1-CD2 3.6Å; F121-L140 HydrophobicContact CE1-CD2 3.64Å; K137-L140 PolarHBondContact O-N 3.19Å; E138-L140 VanDerWaalsContact C-N 3.31Å
141	R	84	Confident	85.7	Confident	115 Å²	115	78.4 Å²	78.4	43%	0.434	40%	0.399	S	S	.	.			trans	-96.5	137	169.9	-61.4	-165.7	179.1	164.9	-1.2	109.2	E143 D145 D149	R141-E143 WeakPolarHBondContact CB-O 3.47Å; R141-D145 HydrophobicContact CB-CB 4.31Å; R141-D145 WeakPolarHBondContact CD-OD1 3.02Å; R141-D145 HydrophobicContact CG-CB 4.36Å; R141-D145 IonicContact CZ-OD1 3.99Å; R141-D145 IonicContact NE-OD1 2.72Å; R141-D145 PolarHBondContact NE-OD1 2.65Å; R141-D145 IonicContact NH1-OD1 2.78Å; R141-D145 PolarHBondContact NH1-OD1 2.79Å; R141-D145 IonicContact NH2-OD1 2.62Å; R141-D149 IonicContact NH2-OD2 3.49Å
142	D	85	Confident	85.9	Confident	104 Å²	104	82.3 Å²	82.3	56%	0.556	43%	0.431	S	S	*	.	S	Bend	trans	-75.2	-21.5	171.8	-74.1	-44.3	0	0	0	111.6	R124	R124-D142 IonicContact CZ-OD1 3.61Å; R124-D142 IonicContact NH1-OD1 3.66Å; R124-D142 PolarHBondContact NH1-OD1 3.45Å
143	E	89.3	Confident	86.2	Confident	156 Å²	156	85.1 Å²	85.1	73%	0.729	45%	0.448	S	S	*	.	S	Bend	trans	-108.3	175.3	177.1	-63.3	179.4	-170	0	0	111.7	R141 D145	R141-E143 WeakPolarHBondContact CB-O 3.47Å; E143-D145 PolarHBondContact O-N 3.01Å
144	Y	91.3	Very high	86.7	Confident	55 Å²	55	80.2 Å²	80.2	22%	0.216	43%	0.427	C	S	.	.			trans	-54	125	179	178.9	-92.9	0	0	0	111.7	M100 D146 K177 P178	M100-Y144 HydrophobicContact CE-CE2 3.71Å; M100-Y144 HydrophobicContact SD-CE2 3.72Å; Y144-D146 HydrophobicContact CE1-CB 4.21Å; Y144-K177 HydrophobicContact CE2-CB 4.16Å; Y144-K177 HydrophobicContact CE2-CG 3.73Å; Y144-K177 VanDerWaalsContact OH-CE 3.28Å; Y144-K177 WeakPolarHBondContact OH-CE 3.38Å; Y144-P178 HydrophobicContact CD1-CG 4.26Å; Y144-P178 HydrophobicContact CD2-CG 4.43Å; Y144-P178 HydrophobicContact CG-CG 3.84Å
145	D	92.6	Very high	87.4	Confident	9 Å²	9	80.3 Å²	80.3	5%	0.048	43%	0.425	C	S	.	.			trans	-97.1	101.3	-177.7	-166.3	5.4	0	0	0	111.1	R128 R141 E143 L147	R128-D145 VanDerWaalsContact CB-OD2 3.24Å; R128-D145 WeakPolarHBondContact CB-OD2 3.05Å; R128-D145 WeakPolarHBondContact CD-OD2 3.12Å; R128-D145 IonicContact CZ-OD1 3.91Å; R128-D145 IonicContact CZ-OD2 3.17Å; R128-D145 IonicContact NE-OD1 3.1Å; R128-D145 PolarHBondContact NE-OD1 3.08Å; R128-D145 IonicContact NE-OD2 3.3Å; R128-D145 PolarHBondContact NE-OD2 3.08Å; R128-D145 IonicContact NH2-OD1 2.79Å; R128-D145 PolarHBondContact NH2-OD1 3.1Å; R128-D145 IonicContact NH2-OD2 3.35Å; R141-D145 HydrophobicContact CB-CB 4.31Å; R141-D145 WeakPolarHBondContact CD-OD1 3.02Å; R141-D145 HydrophobicContact CG-CB 4.36Å; R141-D145 IonicContact CZ-OD1 3.99Å; R141-D145 IonicContact NE-OD1 2.72Å; R141-D145 PolarHBondContact NE-OD1 2.65Å; R141-D145 IonicContact NH1-OD1 2.78Å; R141-D145 PolarHBondContact NH1-OD1 2.79Å; R141-D145 IonicContact NH2-OD1 2.62Å; E143-D145 PolarHBondContact O-N 3.01Å; D145-L147 HydrophobicContact CB-CD2 4.4Å; D145-L147 PolarHBondContact O-N 3.04Å
146	D	91.4	Very high	88.4	Confident	81 Å²	81	82.6 Å²	82.6	43%	0.433	43%	0.428	S	S	.	.			trans	-71	116	168.2	-174.4	17.3	0	0	0	110.3	R128 Y144 S148	R128-D146 PolarHBondContact NH2-O 3.22Å; Y144-D146 HydrophobicContact CE1-CB 4.21Å; D146-S148 VanDerWaalsContact C-N 3.28Å; D146-S148 PolarHBondContact O-N 2.89Å; D146-S148 WeakPolarHBondContact OD1-CB 3.26Å; D146-S148 PolarHBondContact OD1-N 2.79Å; D146-S148 VanDerWaalsContact OD1-N 3.11Å; D146-S148 PolarHBondContact OD1-OG 3.07Å; D146-S148 WeakPolarHBondContact OD2-CB 3.07Å; D146-S148 PolarHBondContact OD2-OG 2.95Å
147	L	93.4	Very high	89.2	Confident	19 Å²	19	77.7 Å²	77.7	10%	0.099	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-88.1	8.2	-178.9	-54.3	-179.7	0	0	0	112.9	S127 R128 D145 D149 L150 M155	S127-L147 VanDerWaalsContact CB-CD1 3.45Å; R128-L147 HydrophobicContact CB-CD2 4.1Å; D145-L147 HydrophobicContact CB-CD2 4.4Å; D145-L147 PolarHBondContact O-N 3.04Å; L147-D149 PolarHBondContact O-N 3.03Å; L147-D149 VanDerWaalsContact O-N 3.16Å; L147-L150 HydrophobicContact CB-CD1 3.98Å; L147-L150 HydrophobicContact CB-CG 4.24Å; L147-L150 HydrophobicContact CD2-CD1 4.05Å; L147-L150 HydrophobicContact CG-CD1 4.41Å; L147-L150 WeakPolarHBondContact O-CB 3.46Å; L147-L150 PolarHBondContact O-N 3.37Å; L147-M155 HydrophobicContact CB-SD 4.14Å
148	S	93.5	Very high	90.4	Very high	96 Å²	96	69.5 Å²	69.5	67%	0.671	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-62.1	-18	179.6	67	0	0	0	0	114	D146	D146-S148 VanDerWaalsContact C-N 3.28Å; D146-S148 PolarHBondContact O-N 2.89Å; D146-S148 WeakPolarHBondContact OD1-CB 3.26Å; D146-S148 PolarHBondContact OD1-N 2.79Å; D146-S148 VanDerWaalsContact OD1-N 3.11Å; D146-S148 PolarHBondContact OD1-OG 3.07Å; D146-S148 WeakPolarHBondContact OD2-CB 3.07Å; D146-S148 PolarHBondContact OD2-OG 2.95Å
149	D	94.2	Very high	91.7	Very high	92 Å²	92	68 Å²	68	49%	0.492	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-83.5	-9.7	176	67.9	-25	0	0	0	113.8	R128 R141 L147	R128-D149 IonicContact CZ-OD1 3.35Å; R128-D149 IonicContact CZ-OD2 3.53Å; R128-D149 IonicContact NH1-OD1 3.23Å; R128-D149 PolarHBondContact NH1-OD1 3.46Å; R128-D149 VanDerWaalsContact NH1-OD1 3.09Å; R128-D149 IonicContact NH1-OD2 2.86Å; R128-D149 PolarHBondContact NH1-OD2 3.35Å; R128-D149 IonicContact NH2-OD1 3.09Å; R128-D149 PolarHBondContact NH2-OD1 2.87Å; R128-D149 IonicContact NH2-OD2 3.36Å; R128-D149 PolarHBondContact NH2-OD2 3.42Å; R141-D149 IonicContact NH2-OD2 3.49Å; L147-D149 PolarHBondContact O-N 3.03Å; L147-D149 VanDerWaalsContact O-N 3.16Å
150	L	94.2	Very high	93	Very high	18 Å²	18	71.8 Å²	71.8	9%	0.094	37%	0.373	C	S	.	.	S	Bend	trans	-72.4	142.4	178.3	-64.8	-171.8	0	0	0	111.7	A131 L147 Q154 M155 V158	A131-L150 HydrophobicContact CB-CD1 3.68Å; A131-L150 HydrophobicContact CB-CD2 4.44Å; L147-L150 HydrophobicContact CB-CD1 3.98Å; L147-L150 HydrophobicContact CB-CG 4.24Å; L147-L150 HydrophobicContact CD2-CD1 4.05Å; L147-L150 HydrophobicContact CG-CD1 4.41Å; L147-L150 WeakPolarHBondContact O-CB 3.46Å; L147-L150 PolarHBondContact O-N 3.37Å; L150-Q154 HydrophobicContact CB-CB 4.12Å; L150-Q154 HydrophobicContact CD2-CB 4.46Å; L150-M155 HydrophobicContact CB-CG 3.8Å; L150-M155 HydrophobicContact CB-SD 3.84Å; L150-M155 HydrophobicContact CD1-SD 3.65Å; L150-M155 HydrophobicContact CG-SD 4.27Å; L150-V158 HydrophobicContact CD1-CG2 4.26Å
151	T	97.1	Very high	93.9	Very high	80 Å²	80	74 Å²	74	49%	0.491	38%	0.38	S	S	.	.			trans	-67.7	162.8	173.2	65	0	0	0	0	111.5	V153 Q154 M155	T151-V153 VanDerWaalsContact C-N 3.27Å; T151-V153 PolarHBondContact O-N 2.81Å; T151-Q154 PolarHBondContact O-N 3.08Å; T151-Q154 VanDerWaalsContact OG1-CG 3.32Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.49Å; T151-Q154 PolarHBondContact OG1-N 3.06Å; T151-Q154 PolarHBondContact OG1-OE1 2.96Å; T151-M155 PolarHBondContact O-N 3.41Å
152	A	96.8	Very high	94.5	Very high	85 Å²	85	69.1 Å²	69.1	70%	0.702	36%	0.362	S	S	*	.	H	α-helix	trans	-56.7	-40	177.9	0	0	0	0	0	112.9	M155 E156	A152-M155 PolarHBondContact O-N 2.78Å; A152-E156 WeakPolarHBondContact O-CB 3.06Å; A152-E156 PolarHBondContact O-N 3.38Å
153	V	96.3	Very high	95	Very high	111 Å²	111	69 Å²	69	67%	0.673	36%	0.359	S	S	*	.	H	α-helix	trans	-67.3	-42.3	178.8	178.6	0	0	0	0	111.3	T151 E156 S157	T151-V153 VanDerWaalsContact C-N 3.27Å; T151-V153 PolarHBondContact O-N 2.81Å; V153-E156 PolarHBondContact O-N 3.09Å; V153-S157 PolarHBondContact O-N 2.82Å
154	Q	96.2	Very high	95.3	Very high	53 Å²	53	66.1 Å²	66.1	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-43.3	175.9	-75.5	167.6	-40.6	0	0	111.3	A131 L150 T151 E156 S157 V158	A131-Q154 HydrophobicContact CB-CB 4.13Å; L150-Q154 HydrophobicContact CB-CB 4.12Å; L150-Q154 HydrophobicContact CD2-CB 4.46Å; T151-Q154 PolarHBondContact O-N 3.08Å; T151-Q154 VanDerWaalsContact OG1-CG 3.32Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.49Å; T151-Q154 PolarHBondContact OG1-N 3.06Å; T151-Q154 PolarHBondContact OG1-OE1 2.96Å; Q154-E156 VanDerWaalsContact C-N 3.32Å; Q154-E156 PolarHBondContact O-N 3.2Å; Q154-S157 WeakPolarHBondContact O-CB 3.03Å; Q154-S157 PolarHBondContact O-N 3.47Å; Q154-V158 WeakPolarHBondContact O-CG2 3.45Å; Q154-V158 PolarHBondContact O-N 3.31Å
155	M	97.1	Very high	95.6	Very high	36 Å²	36	64 Å²	64	18%	0.177	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-32.8	175.9	-77.4	-53.3	-52.3	0	0	113.4	L147 L150 T151 A152 V158 R159	L147-M155 HydrophobicContact CB-SD 4.14Å; L150-M155 HydrophobicContact CB-CG 3.8Å; L150-M155 HydrophobicContact CB-SD 3.84Å; L150-M155 HydrophobicContact CD1-SD 3.65Å; L150-M155 HydrophobicContact CG-SD 4.27Å; T151-M155 PolarHBondContact O-N 3.41Å; A152-M155 PolarHBondContact O-N 2.78Å; M155-V158 HydrophobicContact CE-CG1 4.44Å; M155-V158 PolarHBondContact O-N 3.21Å; M155-R159 WeakPolarHBondContact O-CG 3.35Å; M155-R159 PolarHBondContact O-N 3.49Å; M155-R159 VanDerWaalsContact O-N 3.16Å
156	E	96.3	Very high	95.6	Very high	116 Å²	116	69.5 Å²	69.5	54%	0.542	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-46.7	171.8	-175.3	161.1	-142.1	0	0	110.7	A152 V153 Q154 V158 R159 E160	A152-E156 WeakPolarHBondContact O-CB 3.06Å; A152-E156 PolarHBondContact O-N 3.38Å; V153-E156 PolarHBondContact O-N 3.09Å; Q154-E156 VanDerWaalsContact C-N 3.32Å; Q154-E156 PolarHBondContact O-N 3.2Å; E156-V158 VanDerWaalsContact C-N 3.33Å; E156-V158 PolarHBondContact O-N 2.95Å; E156-R159 WeakPolarHBondContact O-CB 3.21Å; E156-R159 PolarHBondContact O-N 2.67Å; E156-R159 VanDerWaalsContact O-N 3.07Å; E156-E160 WeakPolarHBondContact O-CG 3.37Å; E156-E160 PolarHBondContact O-N 2.68Å
157	S	95.3	Very high	95.8	Very high	14 Å²	14	73.7 Å²	73.7	10%	0.098	38%	0.375	C	S	.	.	H	α-helix	trans	-58.8	-41.4	174.8	-175.1	0	0	0	0	112.7	V153 Q154 R159 E160 W161	V153-S157 PolarHBondContact O-N 2.82Å; Q154-S157 WeakPolarHBondContact O-CB 3.03Å; Q154-S157 PolarHBondContact O-N 3.47Å; S157-R159 VanDerWaalsContact C-N 3.3Å; S157-R159 PolarHBondContact O-N 3.45Å; S157-E160 PolarHBondContact O-N 3.03Å; S157-W161 PolarHBondContact O-N 2.76Å
158	V	96.4	Very high	95.8	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-58.9	-40.9	174.9	170.2	0	0	0	0	112	N99 S127 A131 L150 Q154 M155 E156 W161 E162	N99-V158 HydrophobicContact CB-CG1 3.62Å; S127-V158 WeakPolarHBondContact O-CG2 3.36Å; A131-V158 HydrophobicContact CB-CG2 3.35Å; L150-V158 HydrophobicContact CD1-CG2 4.26Å; Q154-V158 WeakPolarHBondContact O-CG2 3.45Å; Q154-V158 PolarHBondContact O-N 3.31Å; M155-V158 HydrophobicContact CE-CG1 4.44Å; M155-V158 PolarHBondContact O-N 3.21Å; E156-V158 VanDerWaalsContact C-N 3.33Å; E156-V158 PolarHBondContact O-N 2.95Å; V158-W161 PolarHBondContact O-N 2.83Å; V158-E162 WeakPolarHBondContact O-CB 3.09Å; V158-E162 PolarHBondContact O-N 3.3Å
159	R	96.9	Very high	95.9	Very high	145 Å²	145	74.9 Å²	74.9	55%	0.547	37%	0.367	S	S	.	.	H	α-helix	trans	-68.9	-40.3	178	-68.8	167.5	-177.2	167	2.1	111.6	M155 E156 S157 W161 E162 M163	M155-R159 WeakPolarHBondContact O-CG 3.35Å; M155-R159 PolarHBondContact O-N 3.49Å; M155-R159 VanDerWaalsContact O-N 3.16Å; E156-R159 WeakPolarHBondContact O-CB 3.21Å; E156-R159 PolarHBondContact O-N 2.67Å; E156-R159 VanDerWaalsContact O-N 3.07Å; S157-R159 VanDerWaalsContact C-N 3.3Å; S157-R159 PolarHBondContact O-N 3.45Å; R159-W161 VanDerWaalsContact C-N 3.35Å; R159-E162 PolarHBondContact O-N 3.42Å; R159-M163 WeakPolarHBondContact O-CG 3.33Å; R159-M163 PolarHBondContact O-N 2.71Å
160	E	96.8	Very high	96	Very high	95 Å²	95	73.3 Å²	73.3	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-45.7	174.4	-70.6	178.5	167.2	0	0	111.7	E156 S157 M163 Q164	E156-E160 WeakPolarHBondContact O-CG 3.37Å; E156-E160 PolarHBondContact O-N 2.68Å; S157-E160 PolarHBondContact O-N 3.03Å; E160-M163 HydrophobicContact CB-CE 4.48Å; E160-M163 HydrophobicContact CG-CE 4.22Å; E160-M163 PolarHBondContact O-N 2.72Å; E160-Q164 WeakPolarHBondContact O-CG 3.26Å; E160-Q164 PolarHBondContact O-N 3.18Å
161	W	97.1	Very high	96	Very high	73 Å²	73	74.8 Å²	74.8	28%	0.277	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-48.1	173.8	-78.9	117.1	0	0	0	111.4	V98 L130 S157 V158 R159 M163 Q164 F165	V98-W161 HydrophobicContact CG1-CB 4.28Å; L130-W161 HydrophobicContact CB-CG 4.15Å; L130-W161 HydrophobicContact CD1-CB 4.09Å; L130-W161 HydrophobicContact CD1-CG 4.2Å; L130-W161 HydrophobicContact CD2-CD2 4.07Å; L130-W161 HydrophobicContact CD2-CG 4.25Å; L130-W161 HydrophobicContact CG-CG 4.43Å; S157-W161 PolarHBondContact O-N 2.76Å; V158-W161 PolarHBondContact O-N 2.83Å; R159-W161 VanDerWaalsContact C-N 3.35Å; W161-M163 VanDerWaalsContact C-N 3.27Å; W161-M163 PolarHBondContact O-N 2.75Å; W161-Q164 PolarHBondContact O-N 2.78Å; W161-Q164 VanDerWaalsContact O-N 3.11Å; W161-F165 HydrophobicContact CE3-CD2 4.35Å; W161-F165 AromaticContact CE3-CE2 3.95Å; W161-F165 HydrophobicContact CE3-CE2 3.95Å; W161-F165 VanDerWaalsContact O-CD2 3.25Å; W161-F165 WeakPolarHBondContact O-CD2 3.37Å; W161-F165 PolarHBondContact O-N 3.43Å
162	E	97.3	Very high	96	Very high	14 Å²	14	71.1 Å²	71.1	7%	0.065	34%	0.34	C	S	.	.	H	α-helix	trans	-55.1	-42.2	177.2	-176.9	-101.2	137.8	0	0	112.8	V98 N99 K101 F103 V158 R159 F165 R166	V98-E162 HydrophobicContact CG1-CB 4.14Å; N99-E162 HydrophobicContact CB-CB 4.01Å; N99-E162 HydrophobicContact CB-CG 4.13Å; K101-E162 HydrophobicContact CD-CG 3.74Å; K101-E162 WeakPolarHBondContact CD-OE1 3.45Å; K101-E162 WeakPolarHBondContact CE-OE1 3.41Å; K101-E162 IonicContact NZ-OE1 2.87Å; K101-E162 PolarHBondContact NZ-OE1 3.28Å; K101-E162 IonicContact NZ-OE2 3.4Å; K101-E162 PolarHBondContact NZ-OE2 3.23Å; F103-E162 HydrophobicContact CE2-CG 4.44Å; F103-E162 HydrophobicContact CZ-CG 4.22Å; V158-E162 WeakPolarHBondContact O-CB 3.09Å; V158-E162 PolarHBondContact O-N 3.3Å; R159-E162 PolarHBondContact O-N 3.42Å; E162-F165 PolarHBondContact O-N 3.37Å; E162-R166 WeakPolarHBondContact O-CB 3.45Å; E162-R166 PolarHBondContact O-N 3.33Å; E162-R166 IonicContact OE1-CZ 2.79Å; E162-R166 VanDerWaalsContact OE1-CZ 3.3Å; E162-R166 IonicContact OE1-NE 2.72Å; E162-R166 PolarHBondContact OE1-NE 2.85Å; E162-R166 IonicContact OE1-NH1 3.39Å; E162-R166 IonicContact OE1-NH2 3.37Å
163	M	96	Very high	95.9	Very high	100 Å²	100	67 Å²	67	49%	0.493	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-46.7	176	-70.6	-176.2	-67.1	0	0	111.8	R159 E160 W161 F165 R166 E167	R159-M163 WeakPolarHBondContact O-CG 3.33Å; R159-M163 PolarHBondContact O-N 2.71Å; E160-M163 HydrophobicContact CB-CE 4.48Å; E160-M163 HydrophobicContact CG-CE 4.22Å; E160-M163 PolarHBondContact O-N 2.72Å; W161-M163 VanDerWaalsContact C-N 3.27Å; W161-M163 PolarHBondContact O-N 2.75Å; M163-F165 VanDerWaalsContact C-N 3.31Å; M163-F165 PolarHBondContact O-N 3.37Å; M163-R166 WeakPolarHBondContact O-CB 3.27Å; M163-R166 PolarHBondContact O-N 3.49Å; M163-E167 WeakPolarHBondContact O-CG 3.21Å; M163-E167 PolarHBondContact O-N 3.28Å
164	Q	95.8	Very high	96	Very high	97 Å²	97	65.1 Å²	65.1	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-38.6	177.3	-68.5	175.1	38.9	0	0	112.3	E160 W161 E167 K168	E160-Q164 WeakPolarHBondContact O-CG 3.26Å; E160-Q164 PolarHBondContact O-N 3.18Å; W161-Q164 PolarHBondContact O-N 2.78Å; W161-Q164 VanDerWaalsContact O-N 3.11Å; Q164-E167 PolarHBondContact O-N 2.83Å; Q164-K168 WeakPolarHBondContact O-CB 3.31Å; Q164-K168 PolarHBondContact O-N 3.34Å; Q164-K168 VanDerWaalsContact O-N 3.09Å
165	F	96.3	Very high	96	Very high	9 Å²	9	62.6 Å²	62.6	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-41.4	176.5	-90.7	-98.8	0	0	0	111.7	M96 V98 F103 V105 Y112 L130 W161 E162 M163 E167 K168 Y169	M96-F165 HydrophobicContact CE-CD1 4.01Å; M96-F165 HydrophobicContact CE-CE1 3.01Å; M96-F165 HydrophobicContact CE-CE2 4.35Å; M96-F165 HydrophobicContact CE-CZ 3.2Å; V98-F165 HydrophobicContact CG2-CD1 4.26Å; V98-F165 HydrophobicContact CG2-CD2 4.36Å; V98-F165 HydrophobicContact CG2-CE1 4.5Å; V98-F165 HydrophobicContact CG2-CG 4.2Å; F103-F165 HydrophobicContact CB-CD1 4.45Å; F103-F165 HydrophobicContact CD1-CB 4.33Å; F103-F165 HydrophobicContact CD2-CB 3.97Å; F103-F165 HydrophobicContact CD2-CD1 4.35Å; F103-F165 HydrophobicContact CE1-CB 4.31Å; F103-F165 HydrophobicContact CE2-CB 3.93Å; F103-F165 HydrophobicContact CG-CB 4.16Å; F103-F165 HydrophobicContact CG-CD1 4.44Å; F103-F165 HydrophobicContact CZ-CB 4.1Å; V105-F165 HydrophobicContact CG1-CD1 4.11Å; V105-F165 HydrophobicContact CG1-CE1 3.87Å; Y112-F165 HydrophobicContact CE1-CZ 4.41Å; Y112-F165 WeakPolarHBondContact OH-CZ 3.47Å; L130-F165 HydrophobicContact CD1-CE2 4.49Å; W161-F165 HydrophobicContact CE3-CD2 4.35Å; W161-F165 AromaticContact CE3-CE2 3.95Å; W161-F165 HydrophobicContact CE3-CE2 3.95Å; W161-F165 VanDerWaalsContact O-CD2 3.25Å; W161-F165 WeakPolarHBondContact O-CD2 3.37Å; W161-F165 PolarHBondContact O-N 3.43Å; E162-F165 PolarHBondContact O-N 3.37Å; M163-F165 VanDerWaalsContact C-N 3.31Å; M163-F165 PolarHBondContact O-N 3.37Å; F165-E167 VanDerWaalsContact C-N 3.32Å; F165-E167 PolarHBondContact O-N 2.76Å; F165-K168 PolarHBondContact O-N 2.78Å; F165-Y169 HydrophobicContact CB-CD2 4.4Å; F165-Y169 AromaticContact CD1-CD2 3.41Å; F165-Y169 HydrophobicContact CD1-CD2 3.41Å; F165-Y169 VanDerWaalsContact CD1-CD2 3.41Å; F165-Y169 AromaticContact CD1-CE2 3.68Å; F165-Y169 HydrophobicContact CD1-CE2 3.68Å; F165-Y169 AromaticContact CE1-CD2 3.78Å; F165-Y169 HydrophobicContact CE1-CD2 3.78Å; F165-Y169 AromaticContact CE1-CE2 3.56Å; F165-Y169 HydrophobicContact CE1-CE2 3.56Å; F165-Y169 HydrophobicContact CG-CD2 4.1Å; F165-Y169 HydrophobicContact CG-CE2 4.38Å; F165-Y169 HydrophobicContact CZ-CE2 4.26Å; F165-Y169 WeakPolarHBondContact O-CA 3.32Å; F165-Y169 WeakPolarHBondContact O-CB 3.27Å; F165-Y169 PolarHBondContact O-N 3.47Å
166	R	94.3	Very high	96	Very high	126 Å²	126	61.4 Å²	61.4	48%	0.475	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-35.1	175.2	177	179.4	-75.5	-168.1	-14.8	113.3	K101 F103 E162 M163	K101-R166 VanDerWaalsContact CE-NH2 3.32Å; F103-R166 HydrophobicContact CE1-CB 3.89Å; F103-R166 HydrophobicContact CZ-CB 4.23Å; E162-R166 WeakPolarHBondContact O-CB 3.45Å; E162-R166 PolarHBondContact O-N 3.33Å; E162-R166 IonicContact OE1-CZ 2.79Å; E162-R166 VanDerWaalsContact OE1-CZ 3.3Å; E162-R166 IonicContact OE1-NE 2.72Å; E162-R166 PolarHBondContact OE1-NE 2.85Å; E162-R166 IonicContact OE1-NH1 3.39Å; E162-R166 IonicContact OE1-NH2 3.37Å; M163-R166 WeakPolarHBondContact O-CB 3.27Å; M163-R166 PolarHBondContact O-N 3.49Å
167	E	93.9	Very high	95.9	Very high	169 Å²	169	61.1 Å²	61.1	79%	0.79	27%	0.267	S	S	*	.	H	α-helix	trans	-72.6	-33.3	176.3	-72.9	178.8	177.3	0	0	112.4	M163 Q164 F165	M163-E167 WeakPolarHBondContact O-CG 3.21Å; M163-E167 PolarHBondContact O-N 3.28Å; Q164-E167 PolarHBondContact O-N 2.83Å; F165-E167 VanDerWaalsContact C-N 3.32Å; F165-E167 PolarHBondContact O-N 2.76Å
168	K	94.6	Very high	95.7	Very high	127 Å²	127	65.2 Å²	65.2	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-97.1	-30.1	-171.1	-172.8	175.7	178.4	-165.6	0	114.6	Q164 F165	Q164-K168 WeakPolarHBondContact O-CB 3.31Å; Q164-K168 PolarHBondContact O-N 3.34Å; Q164-K168 VanDerWaalsContact O-N 3.09Å; F165-K168 PolarHBondContact O-N 2.78Å
169	Y	95.8	Very high	95.4	Very high	13 Å²	13	69.3 Å²	69.3	5%	0.051	34%	0.335	C	S	.	.	S	Bend	trans	-128.5	157.3	-170.2	-57.9	-67.3	0	0	0	111.5	D104 V105 Y112 F165 Y171	D104-Y169 WeakPolarHBondContact O-CB 3.43Å; V105-Y169 HydrophobicContact CB-CD1 4.27Å; V105-Y169 HydrophobicContact CB-CE1 4.3Å; V105-Y169 HydrophobicContact CB-CG 4.49Å; V105-Y169 HydrophobicContact CG1-CD1 4.19Å; V105-Y169 HydrophobicContact CG1-CD2 3.9Å; V105-Y169 HydrophobicContact CG1-CE1 4.47Å; V105-Y169 HydrophobicContact CG1-CE2 4.15Å; V105-Y169 HydrophobicContact CG1-CG 3.91Å; Y112-Y169 HydrophobicContact CE2-CE1 4.41Å; Y112-Y169 HydrophobicContact CE2-CE2 4.3Å; Y112-Y169 AromaticContact CE2-CZ 3.75Å; Y112-Y169 VanDerWaalsContact CE2-OH 3.23Å; Y112-Y169 WeakPolarHBondContact CE2-OH 3.49Å; Y112-Y169 PolarHBondContact OH-OH 2.93Å; Y112-Y169 VanDerWaalsContact OH-OH 3.07Å; F165-Y169 HydrophobicContact CB-CD2 4.4Å; F165-Y169 AromaticContact CD1-CD2 3.41Å; F165-Y169 HydrophobicContact CD1-CD2 3.41Å; F165-Y169 VanDerWaalsContact CD1-CD2 3.41Å; F165-Y169 AromaticContact CD1-CE2 3.68Å; F165-Y169 HydrophobicContact CD1-CE2 3.68Å; F165-Y169 AromaticContact CE1-CD2 3.78Å; F165-Y169 HydrophobicContact CE1-CD2 3.78Å; F165-Y169 AromaticContact CE1-CE2 3.56Å; F165-Y169 HydrophobicContact CE1-CE2 3.56Å; F165-Y169 HydrophobicContact CG-CD2 4.1Å; F165-Y169 HydrophobicContact CG-CE2 4.38Å; F165-Y169 HydrophobicContact CZ-CE2 4.26Å; F165-Y169 WeakPolarHBondContact O-CA 3.32Å; F165-Y169 WeakPolarHBondContact O-CB 3.27Å; F165-Y169 PolarHBondContact O-N 3.47Å; Y169-Y171 PolarHBondContact O-N 3.42Å
170	D	95	Very high	95.2	Very high	59 Å²	59	65.6 Å²	65.6	32%	0.316	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.5	178.4	-72.7	-44.8	0	0	0	110.6	K72 F103 D104 V172	K72-D170 WeakPolarHBondContact CD-OD2 3.34Å; K72-D170 VanDerWaalsContact CE-OD1 3.24Å; K72-D170 WeakPolarHBondContact CE-OD1 3.32Å; K72-D170 IonicContact NZ-OD1 3.84Å; K72-D170 PolarHBondContact NZ-OD1 3.45Å; K72-D170 IonicContact NZ-OD2 3.61Å; F103-D170 CarbonylContact C-O 3.29Å; F103-D170 VanDerWaalsContact CA-O 3.28Å; F103-D170 WeakPolarHBondContact CA-O 3.34Å; D104-D170 HydrophobicContact CB-CB 4.32Å; D104-D170 PolarHBondContact N-O 3.04Å; D170-V172 HydrophobicContact CB-CG1 4.42Å; D170-V172 PolarHBondContact O-N 2.88Å
171	Y	95.7	Very high	94.9	Very high	49 Å²	49	69 Å²	69	19%	0.192	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.6	167.6	172.2	-105.6	0	0	0	110.2	R75 K101 F103 Y169 G173 R174	R75-Y171 PolarHBondContact NE-O 2.8Å; K101-Y171 HydrophobicContact CB-CD2 4.02Å; K101-Y171 HydrophobicContact CB-CE2 3.67Å; K101-Y171 HydrophobicContact CD-CE2 4.29Å; K101-Y171 HydrophobicContact CG-CD2 4.43Å; K101-Y171 HydrophobicContact CG-CE2 3.79Å; F103-Y171 HydrophobicContact CD1-CD2 4.5Å; F103-Y171 HydrophobicContact CE1-CD2 4.06Å; F103-Y171 HydrophobicContact CZ-CD2 4.37Å; Y169-Y171 PolarHBondContact O-N 3.42Å; Y171-G173 WeakPolarHBondContact CE2-O 3.35Å; Y171-G173 PolarHBondContact OH-O 3.27Å; Y171-R174 VanDerWaalsContact OH-CG 3.28Å; Y171-R174 WeakPolarHBondContact OH-CG 3.38Å
172	V	95.8	Very high	94.6	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-1.2	-173.5	-63	0	0	0	0	114.1	M73 R75 R76 F78 L95 V102 D104 D170	M73-V172 HydrophobicContact CB-CG1 4.05Å; R75-V172 CarbonylContact C-O 3.51Å; R75-V172 WeakPolarHBondContact CA-O 3.37Å; R76-V172 PolarHBondContact N-O 3.39Å; F78-V172 HydrophobicContact CE2-CG2 4.08Å; L95-V172 HydrophobicContact CD2-CG2 4.04Å; V102-V172 HydrophobicContact CB-CG2 4.01Å; V102-V172 HydrophobicContact CG1-CG2 3.62Å; V102-V172 WeakPolarHBondContact O-CG2 3.3Å; V102-V172 PolarHBondContact O-N 3.46Å; D104-V172 HydrophobicContact CB-CG1 3.87Å; D170-V172 HydrophobicContact CB-CG1 4.42Å; D170-V172 PolarHBondContact O-N 2.88Å
173	G	96.3	Very high	94.2	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.5	-165.8	172.2	0	0	0	0	0	113.1	R76 V102 Y171	R76-G173 WeakPolarHBondContact O-CA 3.45Å; V102-G173 WeakPolarHBondContact CB-O 3.46Å; V102-G173 PolarHBondContact N-O 3.42Å; Y171-G173 WeakPolarHBondContact CE2-O 3.35Å; Y171-G173 PolarHBondContact OH-O 3.27Å
174	R	96.9	Very high	93.6	Very high	70 Å²	70	75.2 Å²	75.2	26%	0.264	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	151.4	-176.1	-53.6	175.5	-66.7	146.2	5.3	111.7	D77 F78 M100 Y171 E180 S183	D77-R174 WeakPolarHBondContact CA-O 3.38Å; D77-R174 WeakPolarHBondContact OD1-CA 3.46Å; D77-R174 WeakPolarHBondContact OD1-CB 3.24Å; D77-R174 PolarHBondContact OD1-N 3.48Å; D77-R174 IonicContact OD1-NE 3.57Å; D77-R174 PolarHBondContact OD1-NE 3.38Å; D77-R174 IonicContact OD2-CZ 3.56Å; D77-R174 IonicContact OD2-NE 3.51Å; D77-R174 PolarHBondContact OD2-NE 3.32Å; D77-R174 IonicContact OD2-NH2 3.83Å; D77-R174 PolarHBondContact OD2-NH2 3.01Å; F78-R174 PolarHBondContact N-O 2.71Å; M100-R174 WeakPolarHBondContact O-CA 3.47Å; Y171-R174 VanDerWaalsContact OH-CG 3.28Å; Y171-R174 WeakPolarHBondContact OH-CG 3.38Å; R174-E180 IonicContact CZ-OE1 3.96Å; R174-E180 IonicContact NH1-OE1 3.3Å; R174-E180 PolarHBondContact NH1-OE1 3.25Å; R174-E180 IonicContact NH2-OE1 2.69Å; R174-S183 VanDerWaalsContact NH2-CB 3.33Å; R174-S183 PolarHBondContact NH2-OG 2.91Å; R174-S183 VanDerWaalsContact NH2-OG 3.15Å
175	L	97.1	Very high	93	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-83.9	122.8	162.4	-177.5	65.3	0	0	0	107.3	F78 L80 L83 A97 M100 V102 D125	F78-L175 WeakPolarHBondContact O-CA 3.32Å; L80-L175 HydrophobicContact CD2-CD1 3.92Å; L80-L175 HydrophobicContact CD2-CD2 3.95Å; L80-L175 HydrophobicContact CG-CD1 4.04Å; L80-L175 HydrophobicContact CG-CD2 4.41Å; L83-L175 HydrophobicContact CD2-CD1 4.13Å; A97-L175 HydrophobicContact CB-CB 4.08Å; A97-L175 HydrophobicContact CB-CD2 3.76Å; A97-L175 HydrophobicContact CB-CG 4.37Å; M100-L175 WeakPolarHBondContact CE-O 3.16Å; M100-L175 PolarHBondContact O-N 2.87Å; V102-L175 HydrophobicContact CG2-CB 4.11Å; D125-L175 HydrophobicContact CB-CD2 3.86Å
176	L	96	Very high	92	Very high	11 Å²	11	76.1 Å²	76.1	6%	0.058	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-79.6	139.6	-176.8	-64.6	175.7	0	0	0	111.3	D77 F78 T79 E180 P182	D77-L176 HydrophobicContact CB-CD1 3.94Å; D77-L176 HydrophobicContact CB-CD2 3.75Å; D77-L176 HydrophobicContact CB-CG 3.8Å; F78-L176 PolarHBondContact O-N 2.55Å; T79-L176 HydrophobicContact CG2-CD1 4.39Å; L176-E180 HydrophobicContact CB-CB 4.37Å; L176-E180 HydrophobicContact CD2-CB 4.22Å; L176-E180 HydrophobicContact CD2-CG 3.99Å; L176-P182 HydrophobicContact CD1-CB 4.39Å; L176-P182 HydrophobicContact CD1-CG 3.93Å
177	K	94.3	Very high	90.8	Very high	109 Å²	109	75 Å²	75	47%	0.474	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-70.3	156.2	165.3	-58.6	-169.2	-178.9	-176.5	0	110.3	M100 Y144 G179 E180	M100-K177 HydrophobicContact CE-CD 4.18Å; M100-K177 HydrophobicContact CE-CG 3.33Å; Y144-K177 HydrophobicContact CE2-CB 4.16Å; Y144-K177 HydrophobicContact CE2-CG 3.73Å; Y144-K177 VanDerWaalsContact OH-CE 3.28Å; Y144-K177 WeakPolarHBondContact OH-CE 3.38Å; K177-G179 PolarHBondContact O-N 3.34Å; K177-E180 HydrophobicContact CB-CB 4.24Å; K177-E180 PolarHBondContact N-OE2 3.48Å; K177-E180 WeakPolarHBondContact O-CB 3.44Å; K177-E180 PolarHBondContact O-N 2.98Å
178	P	92.5	Very high	89.3	Confident	101 Å²	101	73.3 Å²	73.3	66%	0.656	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	118.5	170.7	-26.8	34.7	0	0	0	111	Y144	Y144-P178 HydrophobicContact CD1-CG 4.26Å; Y144-P178 HydrophobicContact CD2-CG 4.43Å; Y144-P178 HydrophobicContact CG-CG 3.84Å
179	G	89.7	Confident	87.6	Confident	85 Å²	85	72.4 Å²	72.4	88%	0.876	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	3.9	-179.5	0	0	0	0	0	116.1	K177	K177-G179 PolarHBondContact O-N 3.34Å
180	E	91.6	Very high	85.9	Confident	67 Å²	67	72.6 Å²	72.6	31%	0.313	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-79.1	136.5	171.9	-168.9	177.4	173.3	0	0	110.8	R174 L176 K177	R174-E180 IonicContact CZ-OE1 3.96Å; R174-E180 IonicContact NH1-OE1 3.3Å; R174-E180 PolarHBondContact NH1-OE1 3.25Å; R174-E180 IonicContact NH2-OE1 2.69Å; L176-E180 HydrophobicContact CB-CB 4.37Å; L176-E180 HydrophobicContact CD2-CB 4.22Å; L176-E180 HydrophobicContact CD2-CG 3.99Å; K177-E180 HydrophobicContact CB-CB 4.24Å; K177-E180 PolarHBondContact N-OE2 3.48Å; K177-E180 WeakPolarHBondContact O-CB 3.44Å; K177-E180 PolarHBondContact O-N 2.98Å
181	E	90.8	Very high	84.1	Confident	166 Å²	166	74.3 Å²	74.3	78%	0.776	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-82.1	142.2	176.2	-65.7	-170.3	168.4	0	0	111.3
182	P	91.4	Very high	82.3	Confident	91 Å²	91	78.1 Å²	78.1	59%	0.591	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-59.8	139.5	174	-20.8	31.2	0	0	0	112.1	D77 L176	D77-P182 HydrophobicContact CB-CB 4.27Å; L176-P182 HydrophobicContact CD1-CB 4.39Å; L176-P182 HydrophobicContact CD1-CG 3.93Å
183	S	88	Confident	80.5	Confident	43 Å²	43	80.5 Å²	80.5	30%	0.301	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-79.5	147.1	168.7	54.2	0	0	0	0	111.6	D77 R174 Y185	D77-S183 PolarHBondContact OD2-N 3.47Å; D77-S183 PolarHBondContact OD2-OG 3.25Å; R174-S183 VanDerWaalsContact NH2-CB 3.33Å; R174-S183 PolarHBondContact NH2-OG 2.91Å; R174-S183 VanDerWaalsContact NH2-OG 3.15Å; S183-Y185 PolarHBondContact OG-OH 3.28Å
184	E	84.1	Confident	78.5	Confident	185 Å²	185	84.3 Å²	84.3	86%	0.864	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-80.7	123.7	167.9	-68.3	-170.9	167.5	0	0	110.2
185	Y	82.6	Confident	76.3	Confident	52 Å²	52	87.2 Å²	87.2	20%	0.204	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-94.7	128.1	171.3	-66.2	-80.5	0	0	0	108.9	R75 D77 S183	R75-Y185 HydrophobicContact CB-CD1 3.79Å; R75-Y185 HydrophobicContact CB-CD2 4.08Å; R75-Y185 HydrophobicContact CB-CE1 4.17Å; R75-Y185 HydrophobicContact CB-CE2 4.42Å; R75-Y185 HydrophobicContact CB-CG 3.73Å; R75-Y185 WeakPolarHBondContact O-CD2 3.21Å; D77-Y185 PolarHBondContact OD1-OH 2.95Å; S183-Y185 PolarHBondContact OG-OH 3.28Å
186	T	75.8	Confident	74	Confident	73 Å²	73	94.2 Å²	94.2	45%	0.448	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-92	142.3	175	64.1	0	0	0	0	110.2	E188 E189	T186-E188 PolarHBondContact O-N 2.98Å; T186-E189 PolarHBondContact O-N 2.89Å; T186-E189 VanDerWaalsContact O-N 3.09Å
187	D	69.3	Low	71.6	Confident	102 Å²	102	101.1 Å²	101.1	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-57.7	-24.1	-177.7	-65.1	-37.5	0	0	0	112.7	I191	D187-I191 WeakPolarHBondContact O-CD1 3.4Å; D187-I191 WeakPolarHBondContact O-CG1 3.39Å; D187-I191 PolarHBondContact O-N 2.91Å
188	E	61.4	Low	69.1	Low	134 Å²	134	105.8 Å²	105.8	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-70	-33.9	178.4	-63.8	-168.6	-173.3	0	0	114.1	T186 D190 K192	T186-E188 PolarHBondContact O-N 2.98Å; E188-D190 VanDerWaalsContact C-N 3.34Å; E188-K192 PolarHBondContact O-N 3.5Å
189	E	59.9	Low	68	Low	107 Å²	107	106 Å²	106	50%	0.5	55%	0.55	S	S	.	.	H	α-helix	trans	-72.2	-33.4	180	-70.1	-175.9	171.7	0	0	111.4	T186	T186-E189 PolarHBondContact O-N 2.89Å; T186-E189 VanDerWaalsContact O-N 3.09Å
190	D	58.9	Low	66.8	Low	18 Å²	18	107.1 Å²	107.1	10%	0.096	53%	0.532	C	S	.	.	H	α-helix	trans	-70.1	-45	175	-71.9	-6.3	0	0	0	110.4	R75 E188 K192 D193 H194	R75-D190 WeakPolarHBondContact CD-OD1 3.2Å; R75-D190 VanDerWaalsContact CG-OD1 3.26Å; R75-D190 WeakPolarHBondContact CG-OD1 3.43Å; R75-D190 IonicContact CZ-OD1 2.79Å; R75-D190 PolarHBondContact N-OD2 3.11Å; R75-D190 IonicContact NE-OD1 3.86Å; R75-D190 PolarHBondContact NE-OD1 2.9Å; R75-D190 IonicContact NH1-OD1 2.64Å; R75-D190 PolarHBondContact NH1-OD1 3.39Å; E188-D190 VanDerWaalsContact C-N 3.34Å; D190-K192 PolarHBondContact O-N 2.92Å; D190-D193 PolarHBondContact O-N 3.49Å; D190-H194 PolarHBondContact O-CD2 3.45Å; D190-H194 PolarHBondContact O-N 3.36Å
191	I	58.4	Low	65.4	Low	95 Å²	95	109.3 Å²	109.3	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-59.7	-41.4	178.6	-66.7	164.3	0	0	0	112.6	D187 D193 H194 L195	D187-I191 WeakPolarHBondContact O-CD1 3.4Å; D187-I191 WeakPolarHBondContact O-CG1 3.39Å; D187-I191 PolarHBondContact O-N 2.91Å; I191-D193 VanDerWaalsContact C-N 3.28Å; I191-D193 PolarHBondContact O-N 2.93Å; I191-H194 WeakPolarHBondContact O-CB 3.44Å; I191-H194 PolarHBondContact O-N 3.29Å; I191-L195 HydrophobicContact CG2-CD1 4.14Å; I191-L195 PolarHBondContact O-N 3.39Å
192	K	56.7	Low	63.9	Low	128 Å²	128	106 Å²	106	56%	0.557	53%	0.531	S	S	*	.	H	α-helix	trans	-65.5	-30.7	-179.3	-79.6	174.6	-175.7	160.3	0	113.3	E188 D190 K196	E188-K192 PolarHBondContact O-N 3.5Å; D190-K192 PolarHBondContact O-N 2.92Å; K192-K196 WeakPolarHBondContact O-CG 3.3Å
193	D	57.9	Low	62.2	Low	53 Å²	53	106.9 Å²	106.9	28%	0.283	53%	0.527	S	S	.	.	H	α-helix	trans	-82.7	-30.8	175.8	-73.4	-16.6	0	0	0	111.7	R75 D190 I191 L195 K196 H197	R75-D193 IonicContact CZ-OD2 3.83Å; R75-D193 IonicContact NH1-OD2 2.97Å; R75-D193 PolarHBondContact NH1-OD2 3.13Å; R75-D193 IonicContact NH2-OD2 2.74Å; R75-D193 PolarHBondContact NH2-OD2 2.95Å; D190-D193 PolarHBondContact O-N 3.49Å; I191-D193 VanDerWaalsContact C-N 3.28Å; I191-D193 PolarHBondContact O-N 2.93Å; D193-L195 VanDerWaalsContact C-N 3.3Å; D193-L195 PolarHBondContact O-N 2.77Å; D193-K196 PolarHBondContact O-N 3.35Å; D193-K196 IonicContact OD1-NZ 3.42Å; D193-H197 PolarHBondContact O-CD2 3Å
194	H	54.3	Low	60.5	Low	80 Å²	80	111.2 Å²	111.2	37%	0.37	54%	0.542	S	S	.	.	H	α-helix	trans	-57.3	-42.4	170.7	-70.8	-66.4	0	0	0	112.3	K72 D190 I191 K196	K72-H194 VanDerWaalsContact CD-CE1 3.49Å; K72-H194 WeakPolarHBondContact CD-CE1 3.17Å; K72-H194 WeakPolarHBondContact CE-CE1 3.33Å; D190-H194 PolarHBondContact O-CD2 3.45Å; D190-H194 PolarHBondContact O-N 3.36Å; I191-H194 WeakPolarHBondContact O-CB 3.44Å; I191-H194 PolarHBondContact O-N 3.29Å; H194-K196 VanDerWaalsContact C-N 3.29Å; H194-K196 PolarHBondContact O-N 3.39Å
195	L	51.9	Low	58.8	Low	130 Å²	130	105.9 Å²	105.9	68%	0.681	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-10	-176.8	-69.9	168.7	0	0	0	115.1	I191 D193	I191-L195 HydrophobicContact CG2-CD1 4.14Å; I191-L195 PolarHBondContact O-N 3.39Å; D193-L195 VanDerWaalsContact C-N 3.3Å; D193-L195 PolarHBondContact O-N 2.77Å
196	K	48.8	Very low	57	Low	148 Å²	148	110.1 Å²	110.1	64%	0.643	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.3	179.5	-71.5	175	-169.2	159.6	0	113.5	K192 D193 H194	K192-K196 WeakPolarHBondContact O-CG 3.3Å; D193-K196 PolarHBondContact O-N 3.35Å; D193-K196 IonicContact OD1-NZ 3.42Å; H194-K196 VanDerWaalsContact C-N 3.29Å; H194-K196 PolarHBondContact O-N 3.39Å
197	H	45.1	Very low	55.4	Low	157 Å²	157	113.2 Å²	113.2	73%	0.727	55%	0.551	S	S	*	*			trans	-113.7	0.1	-172.4	-75.3	-69.7	0	0	0	114.2	D193	D193-H197 PolarHBondContact O-CD2 3Å
198	D	42.4	Very low	54.2	Low	206 Å²	206	114.2 Å²	114.2	100%	1.102	55%	0.552	S	S	*	*			trans	-100.2	0	166.4	-74.1	-18.7	0	0	0	110.7

Retrieved 198 of 198 residues in 160 ms (Link to these results)

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