A0A087WYI3_HUMAN Loading...

Folate receptor gamma

AlphaFold DB , UniProt , Accession A0A087WYI3, Species HUMAN (Homo sapiens, Human), Gene FOLR3, Length 178 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	52.5	Low	58.6	Low	219 Å²	219	126.1 Å²	126.1	100%	1.079	63%	0.627	S	S	*	*				0	108.2	0	-79.4	167.1	54.9	0	0	106.4	M3	M1-M3 PolarHBondContact O-N 2.89Å
2	D	58.8	Low	58.4	Low	125 Å²	125	124.5 Å²	124.5	67%	0.668	62%	0.622	S	S	*	*			trans	-74.4	111.9	-161.4	-130.5	-36.3	0	0	0	110.6	A4 W5	D2-A4 PolarHBondContact O-N 3.2Å; D2-A4 VanDerWaalsContact O-N 3.07Å; D2-W5 HydrophobicContact CB-CB 4.3Å; D2-W5 WeakPolarHBondContact O-CB 2.79Å; D2-W5 PolarHBondContact O-N 3.35Å
3	M	59.4	Low	58	Low	151 Å²	151	124.1 Å²	124.1	74%	0.744	62%	0.622	S	S	*	*	H	α-helix	trans	-53.9	-27.3	175.5	-100.5	-177.5	40	0	0	112.1	M1 W5 M7	M1-M3 PolarHBondContact O-N 2.89Å; M3-W5 VanDerWaalsContact C-N 3.31Å; M3-W5 PolarHBondContact O-N 3.21Å; M3-M7 VanDerWaalsContact O-CG 3.3Å; M3-M7 WeakPolarHBondContact O-CG 3.28Å; M3-M7 PolarHBondContact O-N 3.45Å
4	A	61.1	Low	57.6	Low	61 Å²	61	119.7 Å²	119.7	50%	0.504	62%	0.615	S	S	.	*	H	α-helix	trans	-64.3	-33.3	174.9	0	0	0	0	0	112.8	D2 M8	D2-A4 PolarHBondContact O-N 3.2Å; D2-A4 VanDerWaalsContact O-N 3.07Å; A4-M8 WeakPolarHBondContact O-CB 3.32Å; A4-M8 PolarHBondContact O-N 3.35Å
5	W	59.2	Low	56.9	Low	179 Å²	179	120.5 Å²	120.5	68%	0.678	62%	0.62	S	S	*	*	H	α-helix	trans	-73.3	-40.8	-179.6	-170.2	-86.5	0	0	0	112.1	D2 M3 M8 Q9	D2-W5 HydrophobicContact CB-CB 4.3Å; D2-W5 WeakPolarHBondContact O-CB 2.79Å; D2-W5 PolarHBondContact O-N 3.35Å; M3-W5 VanDerWaalsContact C-N 3.31Å; M3-W5 PolarHBondContact O-N 3.21Å; W5-M8 PolarHBondContact O-N 3.47Å; W5-Q9 WeakPolarHBondContact O-CG 3.49Å; W5-Q9 PolarHBondContact O-N 2.91Å; W5-Q9 VanDerWaalsContact O-N 3.1Å
6	Q	56.7	Low	56.4	Low	108 Å²	108	120.1 Å²	120.1	51%	0.505	62%	0.624	S	S	.	*	H	α-helix	trans	-67.8	-37.9	175.3	-83.4	170	-72.8	0	0	112.1	Q9 L10	Q6-Q9 PolarHBondContact O-N 3.45Å; Q6-L10 WeakPolarHBondContact O-CD1 3.16Å; Q6-L10 VanDerWaalsContact O-CG 3.31Å; Q6-L10 WeakPolarHBondContact O-CG 3.39Å; Q6-L10 PolarHBondContact O-N 2.84Å; Q6-L10 VanDerWaalsContact O-N 3.08Å
7	M	60.7	Low	55.9	Low	113 Å²	113	120.1 Å²	120.1	56%	0.557	63%	0.631	S	S	*	*	H	α-helix	trans	-67.4	-36.7	175.6	-69.9	-62.9	-70.6	0	0	112.2	M3 L10 L11	M3-M7 VanDerWaalsContact O-CG 3.3Å; M3-M7 WeakPolarHBondContact O-CG 3.28Å; M3-M7 PolarHBondContact O-N 3.45Å; M7-L10 PolarHBondContact O-N 3.01Å; M7-L10 HydrophobicContact SD-CD1 4.46Å; M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 WeakPolarHBondContact O-CD1 3.46Å; M7-L11 WeakPolarHBondContact O-CG 3.44Å; M7-L11 PolarHBondContact O-N 3.22Å
8	M	63	Low	55.4	Low	117 Å²	117	117.9 Å²	117.9	58%	0.576	63%	0.633	S	S	*	*	H	α-helix	trans	-65.9	-39.8	175.5	-159.1	73.4	68.9	0	0	112.1	A4 W5 L12	A4-M8 WeakPolarHBondContact O-CB 3.32Å; A4-M8 PolarHBondContact O-N 3.35Å; W5-M8 PolarHBondContact O-N 3.47Å; M8-L12 HydrophobicContact CG-CD1 4.5Å; M8-L12 WeakPolarHBondContact O-CD1 3.22Å; M8-L12 VanDerWaalsContact O-CG 3.31Å; M8-L12 WeakPolarHBondContact O-CG 3.28Å; M8-L12 PolarHBondContact O-N 2.82Å; M8-L12 VanDerWaalsContact O-N 3.13Å
9	Q	59	Low	54.9	Low	98 Å²	98	116.3 Å²	116.3	46%	0.458	64%	0.637	S	S	.	*	H	α-helix	trans	-67.8	-38.2	176.5	-73	-177.1	-31.1	0	0	112.5	W5 Q6 L12 L13	W5-Q9 WeakPolarHBondContact O-CG 3.49Å; W5-Q9 PolarHBondContact O-N 2.91Å; W5-Q9 VanDerWaalsContact O-N 3.1Å; Q6-Q9 PolarHBondContact O-N 3.45Å; Q9-L12 PolarHBondContact O-N 3.15Å; Q9-L13 WeakPolarHBondContact O-CD1 3.22Å; Q9-L13 WeakPolarHBondContact O-CG 3.33Å; Q9-L13 PolarHBondContact O-N 3.06Å; Q9-L13 VanDerWaalsContact O-N 3.1Å
10	L	56.9	Low	54.7	Low	108 Å²	108	114.1 Å²	114.1	57%	0.565	64%	0.642	S	S	*	*	H	α-helix	trans	-68.6	-37.3	176.6	-72.7	164.2	0	0	0	112.5	Q6 M7 L13 A14	Q6-L10 WeakPolarHBondContact O-CD1 3.16Å; Q6-L10 VanDerWaalsContact O-CG 3.31Å; Q6-L10 WeakPolarHBondContact O-CG 3.39Å; Q6-L10 PolarHBondContact O-N 2.84Å; Q6-L10 VanDerWaalsContact O-N 3.08Å; M7-L10 PolarHBondContact O-N 3.01Å; M7-L10 HydrophobicContact SD-CD1 4.46Å; L10-L13 PolarHBondContact O-N 3.5Å; L10-A14 PolarHBondContact O-N 3.27Å
11	L	57.1	Low	54.2	Low	108 Å²	108	113.5 Å²	113.5	57%	0.565	65%	0.646	S	S	*	*	H	α-helix	trans	-66.7	-37.8	174.7	-79.3	160.1	0	0	0	112.4	M7 A14 L15	M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 WeakPolarHBondContact O-CD1 3.46Å; M7-L11 WeakPolarHBondContact O-CG 3.44Å; M7-L11 PolarHBondContact O-N 3.22Å; L11-A14 PolarHBondContact O-N 3.31Å; L11-L15 PolarHBondContact O-N 2.76Å
12	L	56.2	Low	54.2	Low	107 Å²	107	107.3 Å²	107.3	56%	0.56	63%	0.629	S	S	*	*	H	α-helix	trans	-68.7	-38.3	176.2	-73.2	164.9	0	0	0	112.1	M8 Q9 A14 L15 V16	M8-L12 HydrophobicContact CG-CD1 4.5Å; M8-L12 WeakPolarHBondContact O-CD1 3.22Å; M8-L12 VanDerWaalsContact O-CG 3.31Å; M8-L12 WeakPolarHBondContact O-CG 3.28Å; M8-L12 PolarHBondContact O-N 2.82Å; M8-L12 VanDerWaalsContact O-N 3.13Å; Q9-L12 PolarHBondContact O-N 3.15Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.44Å
13	L	54	Low	53.7	Low	119 Å²	119	110 Å²	110	62%	0.623	64%	0.638	S	S	*	*	H	α-helix	trans	-66.3	-34.3	176.1	-79.5	157.3	0	0	0	112.7	Q9 L10 L15 V16	Q9-L13 WeakPolarHBondContact O-CD1 3.22Å; Q9-L13 WeakPolarHBondContact O-CG 3.33Å; Q9-L13 PolarHBondContact O-N 3.06Å; Q9-L13 VanDerWaalsContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.5Å; L13-L15 VanDerWaalsContact C-N 3.3Å; L13-L15 PolarHBondContact O-N 3.42Å; L13-V16 PolarHBondContact O-N 3.12Å
14	A	51.3	Low	53	Low	63 Å²	63	108.5 Å²	108.5	52%	0.521	64%	0.64	S	S	.	*	H	α-helix	trans	-69	-25.7	176.6	0	0	0	0	0	113.6	L10 L11 L12 T17	L10-A14 PolarHBondContact O-N 3.27Å; L11-A14 PolarHBondContact O-N 3.31Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.04Å; A14-T17 PolarHBondContact O-OG1 2.88Å; A14-T17 VanDerWaalsContact O-OG1 3.1Å
15	L	48	Very low	52.3	Low	132 Å²	132	117.2 Å²	117.2	69%	0.691	66%	0.659	S	S	*	*	H	α-helix	trans	-78	-24.9	177.2	-74.4	164.4	0	0	0	113	L11 L12 L13	L11-L15 PolarHBondContact O-N 2.76Å; L12-L15 PolarHBondContact O-N 3.26Å; L13-L15 VanDerWaalsContact C-N 3.3Å; L13-L15 PolarHBondContact O-N 3.42Å
16	V	49.4	Very low	52	Low	113 Å²	113	113.8 Å²	113.8	69%	0.685	66%	0.663	S	S	*	*	H	α-helix	trans	-80.7	-21.9	-178.4	-173.7	0	0	0	0	112.1	L12 L13 A18	L12-V16 WeakPolarHBondContact O-CG2 3.44Å; L13-V16 PolarHBondContact O-N 3.12Å; V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.48Å
17	T	47.1	Very low	52	Low	121 Å²	121	113.1 Å²	113.1	74%	0.742	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-6.8	178.7	47.5	0	0	0	0	114.6	A14	A14-T17 PolarHBondContact O-OG1 2.88Å; A14-T17 VanDerWaalsContact O-OG1 3.1Å
18	A	46.7	Very low	52.2	Low	81 Å²	81	113.8 Å²	113.8	67%	0.669	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	3.2	-179.6	0	0	0	0	0	114.4	V16 G20	V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.48Å; A18-G20 VanDerWaalsContact C-N 3.32Å
19	A	47.1	Very low	52.4	Low	87 Å²	87	110.5 Å²	110.5	72%	0.719	66%	0.664	S	S	*	*			trans	-91.3	13.2	178.8	0	0	0	0	0	114	S21	A19-S21 VanDerWaalsContact C-N 3.3Å; A19-S21 PolarHBondContact O-N 2.91Å
20	G	49.1	Very low	52.9	Low	71 Å²	71	116.2 Å²	116.2	73%	0.732	68%	0.681	S	S	*	*			trans	-91.6	46	169.5	0	0	0	0	0	112.2	A18 A22	A18-G20 VanDerWaalsContact C-N 3.32Å; G20-A22 PolarHBondContact O-N 3.43Å
21	S	45.6	Very low	53.6	Low	103 Å²	103	116.1 Å²	116.1	72%	0.72	69%	0.685	S	S	*	*			trans	-73.2	86.2	171	40.8	0	0	0	0	109	A19 Q23	A19-S21 VanDerWaalsContact C-N 3.3Å; A19-S21 PolarHBondContact O-N 2.91Å; S21-Q23 PolarHBondContact O-N 2.81Å
22	A	52.3	Low	55	Low	89 Å²	89	114.5 Å²	114.5	74%	0.736	68%	0.677	S	S	*	*			trans	-50.9	109.8	153.7	0	0	0	0	0	106.4	G20 P24	G20-A22 PolarHBondContact O-N 3.43Å; A22-P24 WeakPolarHBondContact O-CD 3.06Å
23	Q	48.8	Very low	56.8	Low	181 Å²	181	111.5 Å²	111.5	85%	0.846	66%	0.661	S	S	*	*			trans	-48.3	119.4	174.4	-98.7	164.7	-68.6	0	0	107.4	S21 R25	S21-Q23 PolarHBondContact O-N 2.81Å; Q23-R25 PolarHBondContact O-N 3.01Å
24	P	42.8	Very low	58.8	Low	120 Å²	120	111.1 Å²	111.1	78%	0.779	66%	0.659	S	S	*	*			trans	-59.3	116.3	175.7	16.8	-22.1	0	0	0	106.2	A22 S26	A22-P24 WeakPolarHBondContact O-CD 3.06Å; P24-S26 PolarHBondContact O-N 3.24Å
25	R	47.8	Very low	61	Low	243 Å²	243	112.1 Å²	112.1	92%	0.917	66%	0.655	S	S	*	*			trans	-58.4	99.1	159.9	-85.1	-177	173.9	146.1	-0.3	104.2	Q23 A27	Q23-R25 PolarHBondContact O-N 3.01Å; R25-A27 VanDerWaalsContact C-N 3.26Å; R25-A27 PolarHBondContact O-N 2.8Å
26	S	52.3	Low	63.4	Low	107 Å²	107	107.5 Å²	107.5	75%	0.748	63%	0.633	S	S	*	*			trans	-55.2	102.2	165.8	171.8	0	0	0	0	105.5	P24 R28	P24-S26 PolarHBondContact O-N 3.24Å; S26-R28 PolarHBondContact O-N 2.88Å
27	A	57.8	Low	65.7	Low	94 Å²	94	102.9 Å²	102.9	78%	0.777	61%	0.606	S	S	*	*			trans	-68.3	91.2	169.8	0	0	0	0	0	104.7	R25 A29	R25-A27 VanDerWaalsContact C-N 3.26Å; R25-A27 PolarHBondContact O-N 2.8Å; A27-A29 PolarHBondContact O-N 2.79Å
28	R	63.2	Low	68	Low	128 Å²	128	97.5 Å²	97.5	48%	0.483	57%	0.572	S	S	.	*			trans	-50.9	134.6	171.2	-129.4	-175.9	-178.6	148.2	-2.7	107	S26 R30 D32 L33 E127	S26-R28 PolarHBondContact O-N 2.88Å; R28-R30 PolarHBondContact O-N 3.46Å; R28-D32 HydrophobicContact CB-CB 4.4Å; R28-D32 HydrophobicContact CG-CB 3.72Å; R28-L33 HydrophobicContact CB-CD2 4Å; R28-L33 HydrophobicContact CB-CG 4.49Å; R28-E127 IonicContact NH1-OE1 3.57Å
29	A	68.8	Low	70.3	Confident	48 Å²	48	97.8 Å²	97.8	40%	0.397	56%	0.562	S	S	.	*			trans	-57.6	145.2	177.5	0	0	0	0	0	108.2	A27 T31 D32	A27-A29 PolarHBondContact O-N 2.79Å; A29-T31 PolarHBondContact O-N 2.87Å; A29-D32 WeakPolarHBondContact CB-OD2 3.32Å; A29-D32 PolarHBondContact N-OD2 3.39Å; A29-D32 WeakPolarHBondContact O-CA 3.22Å; A29-D32 VanDerWaalsContact O-CB 3.32Å; A29-D32 WeakPolarHBondContact O-CB 3.29Å; A29-D32 PolarHBondContact O-N 3.34Å
30	R	67.7	Low	72.5	Confident	218 Å²	218	94.2 Å²	94.2	82%	0.823	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-57	-29.9	-174.9	-164.7	177.6	-173	178.7	1.8	112.4	R28 L33	R28-R30 PolarHBondContact O-N 3.46Å; R30-L33 PolarHBondContact O-N 3.46Å
31	T	73.2	Confident	74.6	Confident	105 Å²	105	95.9 Å²	95.9	64%	0.644	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-66.4	-33.2	174	44.8	0	0	0	0	113.1	A29 L33 L34	A29-T31 PolarHBondContact O-N 2.87Å; T31-L33 PolarHBondContact O-N 3.14Å; T31-L33 VanDerWaalsContact O-N 3.15Å; T31-L34 PolarHBondContact O-N 3.41Å
32	D	86.2	Confident	76.9	Confident	75 Å²	75	93.2 Å²	93.2	40%	0.401	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-74.4	-2.6	-179.3	-51.1	-16.5	0	0	0	112.6	R28 A29	R28-D32 HydrophobicContact CB-CB 4.4Å; R28-D32 HydrophobicContact CG-CB 3.72Å; A29-D32 WeakPolarHBondContact CB-OD2 3.32Å; A29-D32 PolarHBondContact N-OD2 3.39Å; A29-D32 WeakPolarHBondContact O-CA 3.22Å; A29-D32 VanDerWaalsContact O-CB 3.32Å; A29-D32 WeakPolarHBondContact O-CB 3.29Å; A29-D32 PolarHBondContact O-N 3.34Å
33	L	93.5	Very high	79.1	Confident	43 Å²	43	90.2 Å²	90.2	23%	0.225	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-101.2	-8.4	177.6	-56.9	174.4	0	0	0	112.3	R28 R30 T31 G114 P115	R28-L33 HydrophobicContact CB-CD2 4Å; R28-L33 HydrophobicContact CB-CG 4.49Å; R30-L33 PolarHBondContact O-N 3.46Å; T31-L33 PolarHBondContact O-N 3.14Å; T31-L33 VanDerWaalsContact O-N 3.15Å; L33-G114 WeakPolarHBondContact O-CA 3.44Å; L33-P115 HydrophobicContact CB-CG 4.34Å; L33-P115 WeakPolarHBondContact O-CD 3.42Å
34	L	96.9	Very high	81.4	Confident	112 Å²	112	83.3 Å²	83.3	59%	0.586	43%	0.434	S	S	*	.	S	Bend	trans	-101.8	139.8	-176.9	-56	-177.6	0	0	0	110.1	T31	T31-L34 PolarHBondContact O-N 3.41Å
35	N	97.7	Very high	84	Confident	83 Å²	83	84 Å²	84	44%	0.444	44%	0.436	S	S	.	.	S	Bend	trans	55.6	54.2	177.7	-166	46.3	0	0	0	112.8	P47 N63 P111	N35-P47 WeakPolarHBondContact O-CG 3.36Å; N35-N63 PolarHBondContact OD1-ND2 2.96Å; N35-P111 CarbonylContact C-O 3.56Å; N35-P111 WeakPolarHBondContact CA-O 3.39Å; N35-P111 PolarHBondContact N-O 3.08Å
36	V	97.7	Very high	86.4	Confident	35 Å²	35	79.4 Å²	79.4	21%	0.212	43%	0.425	C	S	.	.			trans	-130.6	150.5	-177.7	-63.7	0	0	0	0	111	P111 I117	V36-P111 PolarHBondContact N-O 3.47Å; V36-P111 CarbonylContact O-C 3.5Å; V36-P111 WeakPolarHBondContact O-CA 3.48Å; V36-I117 HydrophobicContact CG2-CD1 4.18Å
37	C	98.1	Very high	88.6	Confident	17 Å²	17	75.3 Å²	75.3	12%	0.115	40%	0.396	C	S	.	.			trans	-99.9	141.6	170.1	-57.4	0	0	0	0	110.3	K44 P47 C65	C37-K44 WeakPolarHBondContact CB-O 3.33Å; C37-P47 WeakPolarHBondContact SG-CD 3.36Å; C37-C65 WeakPolarHBondContact CA-SG 3.05Å; C37-C65 HydrophobicContact CB-CB 3.73Å; C37-C65 WeakPolarHBondContact CB-SG 3.42Å; C37-C65 WeakPolarHBondContact SG-CA 3.18Å; C37-C65 WeakPolarHBondContact SG-CB 3.07Å; C37-C65 CovalentContact SG-SG 2.03Å; C37-C65 PolarHBondContact SG-SG 3.4Å
38	M	95.8	Very high	90.5	Very high	7 Å²	7	73 Å²	73	3%	0.034	37%	0.374	C	S	.	.			trans	-73.3	148.3	173.5	70.5	-177.6	91.2	0	0	110.7	A40 H43 Y107 L113 I117 E127 I129	M38-A40 VanDerWaalsContact C-N 3.28Å; M38-A40 HydrophobicContact CG-CB 3.94Å; M38-A40 PolarHBondContact O-N 3.17Å; M38-A40 HydrophobicContact SD-CB 4.07Å; M38-H43 WeakPolarHBondContact CG-NE2 3.32Å; M38-H43 WeakPolarHBondContact O-CB 3.45Å; M38-H43 VanDerWaalsContact O-CG 3.3Å; M38-Y107 HydrophobicContact CE-CD2 4.11Å; M38-Y107 HydrophobicContact CE-CE2 4.04Å; M38-Y107 VanDerWaalsContact CE-O 3.27Å; M38-Y107 WeakPolarHBondContact CE-O 3.37Å; M38-Y107 HydrophobicContact SD-CD2 4.48Å; M38-Y107 HydrophobicContact SD-CE2 3.82Å; M38-L113 HydrophobicContact CE-CD1 4.2Å; M38-I117 HydrophobicContact CB-CD1 3.63Å; M38-I117 HydrophobicContact CB-CG1 4.04Å; M38-I117 HydrophobicContact CB-CG2 4.47Å; M38-E127 HydrophobicContact CB-CB 4.35Å; M38-I129 HydrophobicContact CE-CG2 3.58Å; M38-I129 HydrophobicContact SD-CG2 4.25Å
39	N	94.3	Very high	92.2	Very high	87 Å²	87	70.9 Å²	70.9	47%	0.465	38%	0.377	S	S	.	.	S	Bend	trans	-82.4	73.3	172.1	-166.6	-17.7	0	0	0	110.9	K126 E127	N39-K126 HydrophobicContact CB-CB 4.42Å; N39-K126 PolarHBondContact O-N 2.59Å; N39-E127 HydrophobicContact CB-CB 4.42Å; N39-E127 HydrophobicContact CB-CG 4.22Å; N39-E127 WeakPolarHBondContact CB-OE2 3.16Å; N39-E127 PolarHBondContact N-OE2 2.95Å; N39-E127 PolarHBondContact O-N 3.42Å
40	A	92.7	Very high	93.6	Very high	13 Å²	13	70.4 Å²	70.4	11%	0.107	37%	0.367	C	S	.	.	S	Bend	trans	-116.8	-165.5	171.6	0	0	0	0	0	111.2	M38 H42 H43 R125	M38-A40 VanDerWaalsContact C-N 3.28Å; M38-A40 HydrophobicContact CG-CB 3.94Å; M38-A40 PolarHBondContact O-N 3.17Å; M38-A40 HydrophobicContact SD-CB 4.07Å; A40-H42 PolarHBondContact O-N 2.8Å; A40-H43 WeakPolarHBondContact CB-ND1 3.39Å; A40-R125 HydrophobicContact CB-CB 4.19Å
41	K	92.9	Very high	95	Very high	106 Å²	106	66.1 Å²	66.1	46%	0.461	36%	0.36	S	S	.	.	S	Bend	trans	-67.4	-39.7	-159.9	-170.3	178.9	174.9	-169.1	0	114	L81 Y82	K41-L81 PolarHBondContact NZ-O 3.46Å; K41-Y82 HydrophobicContact CD-CE1 4.08Å
42	H	95.4	Very high	96.2	Very high	47 Å²	47	68 Å²	68	22%	0.218	36%	0.361	C	S	.	.	S	Bend	trans	-123.8	4.4	-170.8	-56.7	-64.6	0	0	0	113.7	A40 T70 L81 Y82	A40-H42 PolarHBondContact O-N 2.8Å; H42-T70 HydrophobicContact CB-CG2 4.39Å; H42-L81 HydrophobicContact CB-CD2 4.43Å; H42-L81 WeakPolarHBondContact NE2-CA 3.24Å; H42-L81 PolarHBondContact NE2-O 3.3Å; H42-Y82 AromaticContact CD2-CZ 3.75Å
43	H	97.5	Very high	96.7	Very high	25 Å²	25	64.7 Å²	64.7	12%	0.116	34%	0.343	C	S	.	.			trans	-71.5	140.8	177.4	-66	76.1	0	0	0	111.5	M38 A40 Y107 E108	M38-H43 WeakPolarHBondContact CG-NE2 3.32Å; M38-H43 WeakPolarHBondContact O-CB 3.45Å; M38-H43 VanDerWaalsContact O-CG 3.3Å; A40-H43 WeakPolarHBondContact CB-ND1 3.39Å; H43-Y107 AromaticContact CE1-CE1 3.72Å; H43-Y107 PolarHBondContact NE2-O 2.9Å; H43-E108 PolarHBondContact CD2-O 2.98Å; H43-E108 IonicContact CE1-OE2 2.72Å; H43-E108 PolarHBondContact CE1-OE2 3.48Å; H43-E108 IonicContact ND1-OE2 3.68Å; H43-E108 PolarHBondContact NE2-O 2.95Å; H43-E108 IonicContact NE2-OE2 3.46Å
44	K	98.3	Very high	97	Very high	37 Å²	37	68.7 Å²	68.7	16%	0.161	36%	0.357	C	S	.	.			trans	-65.1	159.5	163.3	-64	-173.8	-62.6	-173	0	110.3	C37 Q46 S48 E50 A64 C65 C66 T67	C37-K44 WeakPolarHBondContact CB-O 3.33Å; K44-Q46 VanDerWaalsContact C-N 3.32Å; K44-Q46 PolarHBondContact O-N 3.35Å; K44-S48 PolarHBondContact NZ-O 3.33Å; K44-S48 PolarHBondContact NZ-OG 3.34Å; K44-E50 WeakPolarHBondContact CD-OE1 3.48Å; K44-E50 VanDerWaalsContact NZ-CG 3.3Å; K44-E50 IonicContact NZ-OE1 2.66Å; K44-E50 PolarHBondContact NZ-OE1 3.39Å; K44-A64 WeakPolarHBondContact CE-O 3.07Å; K44-A64 PolarHBondContact NZ-O 2.91Å; K44-C65 PolarHBondContact N-O 3.38Å; K44-C66 VanDerWaalsContact CE-O 3.24Å; K44-C66 WeakPolarHBondContact CE-O 3.38Å; K44-C66 PolarHBondContact NZ-O 2.05Å; K44-T67 HydrophobicContact CD-CG2 4.16Å; K44-T67 HydrophobicContact CG-CG2 4.08Å
45	T	97	Very high	97	Very high	135 Å²	135	65.4 Å²	65.4	83%	0.828	35%	0.349	S	S	*	.	S	Bend	trans	-65	-35.8	176.3	-48.7	0	0	0	0	112.5
46	Q	97.5	Very high	97	Very high	146 Å²	146	64 Å²	64	68%	0.682	34%	0.34	S	S	*	.	S	Bend	trans	-143	154.5	179.6	-66	-172.6	12.3	0	0	110.9	K44	K44-Q46 VanDerWaalsContact C-N 3.32Å; K44-Q46 PolarHBondContact O-N 3.35Å
47	P	98.4	Very high	97.1	Very high	21 Å²	21	62.3 Å²	62.3	14%	0.136	33%	0.33	C	S	.	.			trans	-63.1	141.5	174.2	-21.6	34.1	0	0	0	111.7	N35 C37 N63 A64 P111	N35-P47 WeakPolarHBondContact O-CG 3.36Å; C37-P47 WeakPolarHBondContact SG-CD 3.36Å; P47-N63 WeakPolarHBondContact CB-OD1 3.1Å; P47-A64 WeakPolarHBondContact CA-O 3.35Å; P47-P111 HydrophobicContact CB-CB 3.69Å; P47-P111 HydrophobicContact CG-CB 3.43Å; P47-P111 VanDerWaalsContact CG-CB 3.43Å
48	S	98.6	Very high	97.1	Very high	44 Å²	44	64.1 Å²	64.1	31%	0.308	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-153.5	162.6	171	73.7	0	0	0	0	110.7	K44 A64	K44-S48 PolarHBondContact NZ-O 3.33Å; K44-S48 PolarHBondContact NZ-OG 3.34Å; S48-A64 PolarHBondContact N-O 2.81Å; S48-A64 VanDerWaalsContact N-O 3.08Å; S48-A64 PolarHBondContact O-N 3.26Å
49	P	98.6	Very high	97.3	Very high	85 Å²	85	68.2 Å²	68.2	55%	0.552	37%	0.37	S	S	*	.			trans	-57.3	146.1	169.5	-22.3	33	0	0	0	112.4	K61	P49-K61 CarbonylContact C-O 3.55Å; P49-K61 WeakPolarHBondContact CA-O 2.95Å
50	E	98.4	Very high	97.5	Very high	38 Å²	38	65.7 Å²	65.7	18%	0.178	35%	0.354	C	S	.	.			trans	-146.1	85.8	179.1	-69.8	-78.1	163.4	0	0	108.3	K44 E52 L53 K61 A64 C66 A68	K44-E50 WeakPolarHBondContact CD-OE1 3.48Å; K44-E50 VanDerWaalsContact NZ-CG 3.3Å; K44-E50 IonicContact NZ-OE1 2.66Å; K44-E50 PolarHBondContact NZ-OE1 3.39Å; E50-E52 PolarHBondContact O-N 3.19Å; E50-E52 VanDerWaalsContact O-N 3.11Å; E50-L53 HydrophobicContact CB-CD1 4.2Å; E50-L53 HydrophobicContact CB-CD2 3.67Å; E50-L53 HydrophobicContact CB-CG 3.66Å; E50-L53 HydrophobicContact CG-CD2 4.22Å; E50-L53 WeakPolarHBondContact O-CG 3.48Å; E50-L53 PolarHBondContact O-N 3.37Å; E50-K61 PolarHBondContact N-O 3.23Å; E50-K61 WeakPolarHBondContact O-CA 3.03Å; E50-K61 WeakPolarHBondContact O-CB 3.48Å; E50-K61 VanDerWaalsContact O-CG 3.29Å; E50-K61 WeakPolarHBondContact O-CG 3.39Å; E50-A64 HydrophobicContact CB-CB 4.44Å; E50-A64 HydrophobicContact CG-CB 4.15Å; E50-C66 WeakPolarHBondContact CG-O 2.97Å; E50-A68 PolarHBondContact OE2-N 3.02Å; E50-A68 VanDerWaalsContact OE2-N 3.17Å
51	D	96.2	Very high	97.7	Very high	127 Å²	127	68.5 Å²	68.5	68%	0.679	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.3	-171.4	-66.6	-37.7	0	0	0	113.9	K61	D51-K61 WeakPolarHBondContact O-CD 3.41Å; D51-K61 WeakPolarHBondContact O-CE 3.18Å; D51-K61 PolarHBondContact O-NZ 3.29Å
52	E	97.9	Very high	98	Very high	146 Å²	146	72.5 Å²	72.5	68%	0.682	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	15.8	-174.8	-59.5	-171.3	160.3	0	0	114.1	E50 Y54 A68	E50-E52 PolarHBondContact O-N 3.19Å; E50-E52 VanDerWaalsContact O-N 3.11Å; E52-Y54 PolarHBondContact O-N 3.35Å; E52-A68 HydrophobicContact CB-CB 3.81Å
53	L	98.4	Very high	98.2	Very high	4 Å²	4	72.9 Å²	72.9	2%	0.021	38%	0.384	C	S	.	.			trans	-59	129	173.9	-62.3	-174.1	0	0	0	111.3	E50 C57 W60 K61 A64	E50-L53 HydrophobicContact CB-CD1 4.2Å; E50-L53 HydrophobicContact CB-CD2 3.67Å; E50-L53 HydrophobicContact CB-CG 3.66Å; E50-L53 HydrophobicContact CG-CD2 4.22Å; E50-L53 WeakPolarHBondContact O-CG 3.48Å; E50-L53 PolarHBondContact O-N 3.37Å; L53-C57 HydrophobicContact CB-CB 4.33Å; L53-C57 VanDerWaalsContact CD1-O 3.23Å; L53-C57 WeakPolarHBondContact CD1-O 3.47Å; L53-W60 HydrophobicContact CD1-CB 3.8Å; L53-K61 HydrophobicContact CB-CG 3.86Å; L53-K61 HydrophobicContact CD1-CG 4.42Å; L53-K61 HydrophobicContact CG-CG 4.22Å; L53-K61 WeakPolarHBondContact O-CE 3.37Å; L53-A64 HydrophobicContact CD1-CB 3.8Å
54	Y	98.1	Very high	98.2	Very high	128 Å²	128	71.7 Å²	71.7	50%	0.502	38%	0.379	S	S	.	.			trans	-88	142.5	-170.9	-177.5	-101.9	0	0	0	112.7	E52 Q56 C57 S71 Q72 H75	E52-Y54 PolarHBondContact O-N 3.35Å; Y54-Q56 PolarHBondContact O-N 3.46Å; Y54-C57 WeakPolarHBondContact O-CB 3.03Å; Y54-C57 PolarHBondContact O-N 2.72Å; Y54-S71 PolarHBondContact N-OG 3.04Å; Y54-Q72 HydrophobicContact CG-CG 4.09Å; Y54-H75 HydrophobicContact CD1-CB 3.88Å; Y54-H75 AromaticContact CD1-CD2 3.99Å; Y54-H75 AromaticContact CD1-CG 3.59Å; Y54-H75 AromaticContact CD1-ND1 3.65Å; Y54-H75 HydrophobicContact CE1-CB 3.69Å; Y54-H75 AromaticContact CE1-CD2 3.95Å; Y54-H75 AromaticContact CE1-CG 3.72Å; Y54-H75 PolarHBondContact O-CE1 3.06Å; Y54-H75 VanDerWaalsContact O-CE1 3.25Å
55	G	97.9	Very high	98.3	Very high	42 Å²	42	69.9 Å²	69.9	43%	0.433	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	52.5	-123	169.2	0	0	0	0	0	113.9	C57 S58	G55-C57 PolarHBondContact O-N 2.99Å; G55-S58 WeakPolarHBondContact O-CB 3.3Å; G55-S58 PolarHBondContact O-N 3.13Å; G55-S58 VanDerWaalsContact O-N 3.16Å; G55-S58 PolarHBondContact O-OG 3.45Å
56	Q	98.4	Very high	98.3	Very high	54 Å²	54	63.5 Å²	63.5	25%	0.252	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-66.8	-17.6	-176.8	-62.1	-177	26.3	0	0	113.3	Y54 S58 P59 H75 R98 I101 Q102	Y54-Q56 PolarHBondContact O-N 3.46Å; Q56-S58 VanDerWaalsContact C-N 3.31Å; Q56-P59 WeakPolarHBondContact O-CD 3.47Å; Q56-H75 PolarHBondContact N-NE2 2.94Å; Q56-R98 PolarHBondContact OE1-O 3.08Å; Q56-I101 HydrophobicContact CB-CG2 4.03Å; Q56-I101 HydrophobicContact CG-CG2 4.17Å; Q56-Q102 PolarHBondContact O-OE1 2.68Å
57	C	98.7	Very high	98.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-84.9	-3.6	177.2	-58.3	0	0	0	0	112.9	L53 Y54 G55 P59 W60 C105	L53-C57 HydrophobicContact CB-CB 4.33Å; L53-C57 VanDerWaalsContact CD1-O 3.23Å; L53-C57 WeakPolarHBondContact CD1-O 3.47Å; Y54-C57 WeakPolarHBondContact O-CB 3.03Å; Y54-C57 PolarHBondContact O-N 2.72Å; G55-C57 PolarHBondContact O-N 2.99Å; C57-P59 VanDerWaalsContact C-N 3.32Å; C57-W60 HydrophobicContact CB-CE3 4.49Å; C57-W60 PolarHBondContact O-N 3.18Å; C57-C105 WeakPolarHBondContact CA-SG 3.36Å; C57-C105 HydrophobicContact CB-CB 3.9Å; C57-C105 WeakPolarHBondContact CB-SG 3.45Å; C57-C105 PolarHBondContact N-SG 3.23Å; C57-C105 WeakPolarHBondContact SG-CB 3.49Å; C57-C105 CovalentContact SG-SG 2.05Å; C57-C105 PolarHBondContact SG-SG 3.14Å
58	S	98.4	Very high	98.4	Very high	54 Å²	54	58 Å²	58	38%	0.378	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-58.7	-24.9	178.5	60.5	0	0	0	0	116.7	G55 Q56 W60 K61	G55-S58 WeakPolarHBondContact O-CB 3.3Å; G55-S58 PolarHBondContact O-N 3.13Å; G55-S58 VanDerWaalsContact O-N 3.16Å; G55-S58 PolarHBondContact O-OG 3.45Å; Q56-S58 VanDerWaalsContact C-N 3.31Å; S58-W60 PolarHBondContact O-N 2.8Å; S58-W60 VanDerWaalsContact O-N 3.12Å; S58-K61 VanDerWaalsContact O-CG 3.22Å; S58-K61 WeakPolarHBondContact O-CG 3.32Å; S58-K61 PolarHBondContact O-N 2.88Å
59	P	98.7	Very high	98.3	Very high	93 Å²	93	59.4 Å²	59.4	60%	0.604	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-59.4	-23	175.4	-27.6	37.9	0	0	0	114.4	Q56 C57	Q56-P59 WeakPolarHBondContact O-CD 3.47Å; C57-P59 VanDerWaalsContact C-N 3.32Å
60	W	98.8	Very high	98.3	Very high	34 Å²	34	55.7 Å²	55.7	13%	0.129	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-92.2	0.7	-177.9	-66.1	-86.7	0	0	0	114.6	L53 C57 S58 K62 N63 A64 C105 L106 C109	L53-W60 HydrophobicContact CD1-CB 3.8Å; C57-W60 HydrophobicContact CB-CE3 4.49Å; C57-W60 PolarHBondContact O-N 3.18Å; S58-W60 PolarHBondContact O-N 2.8Å; S58-W60 VanDerWaalsContact O-N 3.12Å; W60-K62 PolarHBondContact O-N 3.5Å; W60-N63 CarbonylContact O-C 3.28Å; W60-N63 PolarHBondContact O-N 3.1Å; W60-A64 HydrophobicContact CB-CB 3.95Å; W60-A64 WeakPolarHBondContact O-CB 3.05Å; W60-A64 PolarHBondContact O-N 3.48Å; W60-C105 HydrophobicContact CE3-CB 4.09Å; W60-C105 HydrophobicContact CH2-CB 3.81Å; W60-C105 HydrophobicContact CZ3-CB 3.37Å; W60-L106 HydrophobicContact CH2-CB 4.26Å; W60-L106 HydrophobicContact CZ2-CB 4.05Å; W60-L106 HydrophobicContact CZ2-CD1 3.97Å; W60-C109 HydrophobicContact CB-CB 3.87Å; W60-C109 HydrophobicContact CD2-CB 3.91Å; W60-C109 HydrophobicContact CE3-CB 4.28Å; W60-C109 HydrophobicContact CG-CB 3.72Å
61	K	98.6	Very high	98.3	Very high	73 Å²	73	53.9 Å²	53.9	32%	0.317	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-36.8	-172.8	-75	178.9	175.1	-150.6	0	114.9	P49 E50 D51 L53 S58 N63	P49-K61 CarbonylContact C-O 3.55Å; P49-K61 WeakPolarHBondContact CA-O 2.95Å; E50-K61 PolarHBondContact N-O 3.23Å; E50-K61 WeakPolarHBondContact O-CA 3.03Å; E50-K61 WeakPolarHBondContact O-CB 3.48Å; E50-K61 VanDerWaalsContact O-CG 3.29Å; E50-K61 WeakPolarHBondContact O-CG 3.39Å; D51-K61 WeakPolarHBondContact O-CD 3.41Å; D51-K61 WeakPolarHBondContact O-CE 3.18Å; D51-K61 PolarHBondContact O-NZ 3.29Å; L53-K61 HydrophobicContact CB-CG 3.86Å; L53-K61 HydrophobicContact CD1-CG 4.42Å; L53-K61 HydrophobicContact CG-CG 4.22Å; L53-K61 WeakPolarHBondContact O-CE 3.37Å; S58-K61 VanDerWaalsContact O-CG 3.22Å; S58-K61 WeakPolarHBondContact O-CG 3.32Å; S58-K61 PolarHBondContact O-N 2.88Å; K61-N63 VanDerWaalsContact C-N 3.3Å; K61-N63 PolarHBondContact O-N 2.03Å
62	K	98.6	Very high	98.3	Very high	190 Å²	190	52 Å²	52	83%	0.826	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.5	-178.6	-66.1	-175.1	178.7	-179.8	0	113.3	W60	W60-K62 PolarHBondContact O-N 3.5Å
63	N	98.7	Very high	98.2	Very high	54 Å²	54	46.8 Å²	46.8	29%	0.289	25%	0.249	S	C	.	.	S	Bend	trans	-165.8	101	-177.2	-167.3	30.4	0	0	0	110.5	N35 P47 W60 K61	N35-N63 PolarHBondContact OD1-ND2 2.96Å; P47-N63 WeakPolarHBondContact CB-OD1 3.1Å; W60-N63 CarbonylContact O-C 3.28Å; W60-N63 PolarHBondContact O-N 3.1Å; K61-N63 VanDerWaalsContact C-N 3.3Å; K61-N63 PolarHBondContact O-N 2.03Å
64	A	98.8	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-131.7	152.6	-173.6	0	0	0	0	0	113.1	K44 P47 S48 E50 L53 W60 C109	K44-A64 WeakPolarHBondContact CE-O 3.07Å; K44-A64 PolarHBondContact NZ-O 2.91Å; P47-A64 WeakPolarHBondContact CA-O 3.35Å; S48-A64 PolarHBondContact N-O 2.81Å; S48-A64 VanDerWaalsContact N-O 3.08Å; S48-A64 PolarHBondContact O-N 3.26Å; E50-A64 HydrophobicContact CB-CB 4.44Å; E50-A64 HydrophobicContact CG-CB 4.15Å; L53-A64 HydrophobicContact CD1-CB 3.8Å; W60-A64 HydrophobicContact CB-CB 3.95Å; W60-A64 WeakPolarHBondContact O-CB 3.05Å; W60-A64 PolarHBondContact O-N 3.48Å; A64-C109 CarbonylContact C-O 3.14Å; A64-C109 WeakPolarHBondContact CA-O 3.18Å; A64-C109 HydrophobicContact CB-CB 4.37Å
65	C	98.8	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-94.6	-8.1	170.4	-72.3	0	0	0	0	114.6	C37 K44 E108 C109	C37-C65 WeakPolarHBondContact CA-SG 3.05Å; C37-C65 HydrophobicContact CB-CB 3.73Å; C37-C65 WeakPolarHBondContact CB-SG 3.42Å; C37-C65 WeakPolarHBondContact SG-CA 3.18Å; C37-C65 WeakPolarHBondContact SG-CB 3.07Å; C37-C65 CovalentContact SG-SG 2.03Å; C37-C65 PolarHBondContact SG-SG 3.4Å; K44-C65 PolarHBondContact N-O 3.38Å; C65-E108 CarbonylContact C-O 3.55Å; C65-E108 VanDerWaalsContact C-O 3.27Å; C65-E108 WeakPolarHBondContact CB-O 3.07Å; C65-C109 PolarHBondContact N-O 2.97Å
66	C	98.6	Very high	97.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-101.3	169.7	175.4	67.4	0	0	0	0	110.4	K44 E50 T70 E108 C109	K44-C66 VanDerWaalsContact CE-O 3.24Å; K44-C66 WeakPolarHBondContact CE-O 3.38Å; K44-C66 PolarHBondContact NZ-O 2.05Å; E50-C66 WeakPolarHBondContact CG-O 2.97Å; C66-T70 HydrophobicContact CB-CG2 4.08Å; C66-E108 HydrophobicContact CB-CB 3.99Å; C66-E108 PolarHBondContact N-O 3.4Å; C66-C109 HydrophobicContact CB-CB 3.92Å; C66-C109 WeakPolarHBondContact CB-SG 3.42Å; C66-C109 WeakPolarHBondContact SG-CB 3.36Å; C66-C109 CovalentContact SG-SG 2.04Å; C66-C109 PolarHBondContact SG-SG 3.03Å
67	T	98.4	Very high	96.8	Very high	39 Å²	39	47.5 Å²	47.5	24%	0.239	25%	0.247	C	C	.	.			trans	-102.1	163.8	171.4	60.2	0	0	0	0	111.3	K44 S69 T70 S71	K44-T67 HydrophobicContact CD-CG2 4.16Å; K44-T67 HydrophobicContact CG-CG2 4.08Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.28Å; T67-S69 PolarHBondContact OG1-OG 3.42Å; T67-T70 WeakPolarHBondContact O-CB 3.38Å; T67-T70 PolarHBondContact O-N 2.04Å; T67-T70 VanDerWaalsContact O-N 3.14Å; T67-T70 PolarHBondContact OG1-N 2.82Å; T67-T70 VanDerWaalsContact OG1-N 3.12Å; T67-T70 PolarHBondContact OG1-OG1 2.95Å; T67-S71 PolarHBondContact O-N 3.28Å
68	A	98	Very high	95.6	Very high	14 Å²	14	51.7 Å²	51.7	12%	0.116	27%	0.273	C	S	.	.	H	α-helix	trans	-50.9	-44.3	168.1	0	0	0	0	0	112.8	E50 E52 T70 S71 Q72	E50-A68 PolarHBondContact OE2-N 3.02Å; E50-A68 VanDerWaalsContact OE2-N 3.17Å; E52-A68 HydrophobicContact CB-CB 3.81Å; A68-T70 PolarHBondContact O-N 2.84Å; A68-S71 PolarHBondContact O-N 3.16Å; A68-S71 PolarHBondContact O-OG 3.25Å; A68-Q72 WeakPolarHBondContact O-CG 3.45Å; A68-Q72 PolarHBondContact O-N 3.39Å
69	S	97.6	Very high	94.7	Very high	73 Å²	73	49.5 Å²	49.5	51%	0.51	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-41.9	177.5	58.4	0	0	0	0	113	T67 S71 Q72 E73	T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.28Å; T67-S69 PolarHBondContact OG1-OG 3.42Å; S69-S71 VanDerWaalsContact C-N 3.35Å; S69-S71 PolarHBondContact O-N 3.24Å; S69-Q72 PolarHBondContact O-N 3.17Å; S69-E73 WeakPolarHBondContact O-CG 3.49Å; S69-E73 PolarHBondContact O-N 3.38Å
70	T	97.8	Very high	93.8	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-47.5	175.2	-58.1	0	0	0	0	110	H42 C66 T67 A68 Q72 E73 L74 L81 E108	H42-T70 HydrophobicContact CB-CG2 4.39Å; C66-T70 HydrophobicContact CB-CG2 4.08Å; T67-T70 WeakPolarHBondContact O-CB 3.38Å; T67-T70 PolarHBondContact O-N 2.04Å; T67-T70 VanDerWaalsContact O-N 3.14Å; T67-T70 PolarHBondContact OG1-N 2.82Å; T67-T70 VanDerWaalsContact OG1-N 3.12Å; T67-T70 PolarHBondContact OG1-OG1 2.95Å; A68-T70 PolarHBondContact O-N 2.84Å; T70-Q72 VanDerWaalsContact C-N 3.31Å; T70-Q72 PolarHBondContact O-N 2.74Å; T70-E73 PolarHBondContact O-N 2.93Å; T70-L74 HydrophobicContact CG2-CD1 4.43Å; T70-L74 WeakPolarHBondContact O-CG 3.23Å; T70-L74 PolarHBondContact O-N 3.08Å; T70-L81 HydrophobicContact CG2-CD1 3.85Å; T70-L81 HydrophobicContact CG2-CD2 4.35Å; T70-E108 HydrophobicContact CG2-CB 4.11Å; T70-E108 HydrophobicContact CG2-CG 4.11Å
71	S	97.9	Very high	93.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-36.9	-180	73.3	0	0	0	0	113.4	Y54 T67 A68 S69 H75	Y54-S71 PolarHBondContact N-OG 3.04Å; T67-S71 PolarHBondContact O-N 3.28Å; A68-S71 PolarHBondContact O-N 3.16Å; A68-S71 PolarHBondContact O-OG 3.25Å; S69-S71 VanDerWaalsContact C-N 3.35Å; S69-S71 PolarHBondContact O-N 3.24Å; S71-H75 PolarHBondContact O-ND1 2.8Å
72	Q	97.1	Very high	92.5	Very high	88 Å²	88	53.2 Å²	53.2	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-43.8	176.1	-68.9	172.7	19.9	0	0	111.5	Y54 A68 S69 T70 L74 H75	Y54-Q72 HydrophobicContact CG-CG 4.09Å; A68-Q72 WeakPolarHBondContact O-CG 3.45Å; A68-Q72 PolarHBondContact O-N 3.39Å; S69-Q72 PolarHBondContact O-N 3.17Å; T70-Q72 VanDerWaalsContact C-N 3.31Å; T70-Q72 PolarHBondContact O-N 2.74Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.25Å; Q72-H75 PolarHBondContact O-N 3.41Å
73	E	96.6	Very high	92.1	Very high	35 Å²	35	47.6 Å²	47.6	16%	0.164	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-34.4	178.4	-75.4	-64.2	137.6	0	0	112.6	S69 T70 H75 K76 S79 R80 L81	S69-E73 WeakPolarHBondContact O-CG 3.49Å; S69-E73 PolarHBondContact O-N 3.38Å; T70-E73 PolarHBondContact O-N 2.93Å; E73-H75 PolarHBondContact O-N 3.11Å; E73-K76 PolarHBondContact O-N 2.8Å; E73-K76 WeakPolarHBondContact OE1-CE 3.46Å; E73-K76 IonicContact OE1-NZ 3.86Å; E73-K76 PolarHBondContact OE1-NZ 3.07Å; E73-S79 WeakPolarHBondContact O-CB 3.36Å; E73-S79 PolarHBondContact O-OG 2.89Å; E73-R80 PolarHBondContact OE2-N 2.79Å; E73-R80 VanDerWaalsContact OE2-N 3.09Å; E73-L81 HydrophobicContact CB-CD1 3.66Å; E73-L81 HydrophobicContact CB-CD2 4.26Å; E73-L81 HydrophobicContact CB-CG 3.66Å; E73-L81 HydrophobicContact CG-CG 4.4Å
74	L	95.6	Very high	91.8	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-22.7	177.2	-74.5	177.9	0	0	0	113.8	T70 Q72 L81 E108	T70-L74 HydrophobicContact CG2-CD1 4.43Å; T70-L74 WeakPolarHBondContact O-CG 3.23Å; T70-L74 PolarHBondContact O-N 3.08Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.25Å; L74-L81 HydrophobicContact CD2-CD1 3.54Å; L74-L81 HydrophobicContact CG-CD1 3.66Å; L74-E108 HydrophobicContact CD1-CB 4.25Å; L74-E108 HydrophobicContact CD1-CG 3.99Å; L74-E108 HydrophobicContact CD2-CG 4.44Å
75	H	95.4	Very high	91.6	Very high	41 Å²	41	47.5 Å²	47.5	19%	0.19	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.3	179.9	-68.7	74.4	0	0	0	113.3	Y54 Q56 S71 Q72 E73 I101	Y54-H75 HydrophobicContact CD1-CB 3.88Å; Y54-H75 AromaticContact CD1-CD2 3.99Å; Y54-H75 AromaticContact CD1-CG 3.59Å; Y54-H75 AromaticContact CD1-ND1 3.65Å; Y54-H75 HydrophobicContact CE1-CB 3.69Å; Y54-H75 AromaticContact CE1-CD2 3.95Å; Y54-H75 AromaticContact CE1-CG 3.72Å; Y54-H75 PolarHBondContact O-CE1 3.06Å; Y54-H75 VanDerWaalsContact O-CE1 3.25Å; Q56-H75 PolarHBondContact N-NE2 2.94Å; S71-H75 PolarHBondContact O-ND1 2.8Å; Q72-H75 PolarHBondContact O-N 3.41Å; E73-H75 PolarHBondContact O-N 3.11Å; H75-I101 WeakPolarHBondContact NE2-CG2 3.45Å
76	K	92.1	Very high	91.5	Very high	100 Å²	100	48.9 Å²	48.9	44%	0.435	24%	0.242	S	C	.	.	S	Bend	trans	-87.3	138.3	176.2	-63.2	-179.7	-175.3	177.3	0	110.3	E73 T78 S79	E73-K76 PolarHBondContact O-N 2.8Å; E73-K76 WeakPolarHBondContact OE1-CE 3.46Å; E73-K76 IonicContact OE1-NZ 3.86Å; E73-K76 PolarHBondContact OE1-NZ 3.07Å; K76-T78 PolarHBondContact O-N 2.97Å; K76-S79 PolarHBondContact O-N 2.77Å
77	D	79.1	Confident	91.4	Very high	93 Å²	93	51 Å²	51	50%	0.497	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.8	-179.9	-67	-20.8	0	0	0	112.8	K97	D77-K97 VanDerWaalsContact CG-NZ 3.32Å; D77-K97 WeakPolarHBondContact OD1-CE 3.32Å; D77-K97 IonicContact OD1-NZ 3.65Å; D77-K97 PolarHBondContact OD1-NZ 2.88Å
78	T	73.6	Confident	91.3	Very high	89 Å²	89	50.1 Å²	50.1	55%	0.546	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	62.3	173.7	48.8	0	0	0	0	110.4	K76 R80	K76-T78 PolarHBondContact O-N 2.97Å; T78-R80 PolarHBondContact O-N 2.78Å
79	S	80.6	Confident	91.3	Very high	8 Å²	8	50.5 Å²	50.5	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	128.7	178	-175.1	0	0	0	0	112.1	E73 K76 L81 N83	E73-S79 WeakPolarHBondContact O-CB 3.36Å; E73-S79 PolarHBondContact O-OG 2.89Å; K76-S79 PolarHBondContact O-N 2.77Å; S79-L81 PolarHBondContact O-N 3.13Å; S79-L81 PolarHBondContact OG-N 3.04Å; S79-N83 WeakPolarHBondContact O-CA 3.5Å; S79-N83 PolarHBondContact O-N 3.21Å
80	R	80.3	Confident	91.2	Very high	203 Å²	203	49.4 Å²	49.4	77%	0.766	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.7	177	-64.6	-178.1	177.1	-177.6	-0.3	113.3	E73 T78 Y82	E73-R80 PolarHBondContact OE2-N 2.79Å; E73-R80 VanDerWaalsContact OE2-N 3.09Å; T78-R80 PolarHBondContact O-N 2.78Å; R80-Y82 VanDerWaalsContact C-N 3.33Å; R80-Y82 PolarHBondContact O-N 2.04Å
81	L	83.9	Confident	91.2	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.068	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-42.6	-179.7	-66.2	171.5	0	0	0	111.2	K41 H42 T70 E73 L74 S79	K41-L81 PolarHBondContact NZ-O 3.46Å; H42-L81 HydrophobicContact CB-CD2 4.43Å; H42-L81 WeakPolarHBondContact NE2-CA 3.24Å; H42-L81 PolarHBondContact NE2-O 3.3Å; T70-L81 HydrophobicContact CG2-CD1 3.85Å; T70-L81 HydrophobicContact CG2-CD2 4.35Å; E73-L81 HydrophobicContact CB-CD1 3.66Å; E73-L81 HydrophobicContact CB-CD2 4.26Å; E73-L81 HydrophobicContact CB-CG 3.66Å; E73-L81 HydrophobicContact CG-CG 4.4Å; L74-L81 HydrophobicContact CD2-CD1 3.54Å; L74-L81 HydrophobicContact CG-CD1 3.66Å; S79-L81 PolarHBondContact O-N 3.13Å; S79-L81 PolarHBondContact OG-N 3.04Å
82	Y	84.9	Confident	91.2	Very high	61 Å²	61	57.8 Å²	57.8	24%	0.239	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-3.1	-176.8	-61.9	-69.6	0	0	0	113.9	K41 H42 R80 F84 E108 W124	K41-Y82 HydrophobicContact CD-CE1 4.08Å; H42-Y82 AromaticContact CD2-CZ 3.75Å; R80-Y82 VanDerWaalsContact C-N 3.33Å; R80-Y82 PolarHBondContact O-N 2.04Å; Y82-F84 PolarHBondContact O-N 3Å; Y82-E108 VanDerWaalsContact CE2-OE1 3.23Å; Y82-E108 WeakPolarHBondContact CE2-OE1 3.33Å; Y82-E108 VanDerWaalsContact CZ-OE1 3.25Å; Y82-E108 PolarHBondContact OH-OE1 2.92Å; Y82-W124 HydrophobicContact CE1-CZ3 4.32Å
83	N	90.4	Very high	91.2	Very high	73 Å²	73	57.7 Å²	57.7	39%	0.39	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	34.9	-171.1	-60.5	-26.2	0	0	0	112	S79 W162 G165 I166	S79-N83 WeakPolarHBondContact O-CA 3.5Å; S79-N83 PolarHBondContact O-N 3.21Å; N83-W162 HydrophobicContact CB-CZ3 4.35Å; N83-W162 WeakPolarHBondContact O-CZ3 3.42Å; N83-G165 WeakPolarHBondContact CB-O 3.46Å; N83-I166 HydrophobicContact CB-CG2 4.43Å; N83-I166 WeakPolarHBondContact O-CA 3.35Å
84	F	92.9	Very high	91.3	Very high	25 Å²	25	60.1 Å²	60.1	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.9	-174.2	-160.7	-86.4	0	0	0	110.7	Y82 W86 W156 W160 W162 N167	Y82-F84 PolarHBondContact O-N 3Å; F84-W86 AromaticContact CD1-CD2 3.83Å; F84-W86 HydrophobicContact CD1-CD2 3.83Å; F84-W86 AromaticContact CD1-CE3 3.59Å; F84-W86 HydrophobicContact CD1-CE3 3.59Å; F84-W86 AromaticContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CZ2 4.11Å; F84-W86 AromaticContact CD1-CZ3 3.58Å; F84-W86 HydrophobicContact CD1-CZ3 3.58Å; F84-W86 HydrophobicContact CE1-CD2 4.15Å; F84-W86 AromaticContact CE1-CE3 3.46Å; F84-W86 HydrophobicContact CE1-CE3 3.46Å; F84-W86 VanDerWaalsContact CE1-CE3 3.46Å; F84-W86 HydrophobicContact CE1-CH2 4.14Å; F84-W86 AromaticContact CE1-CZ3 3.43Å; F84-W86 HydrophobicContact CE1-CZ3 3.43Å; F84-W86 VanDerWaalsContact CE1-CZ3 3.43Å; F84-W86 HydrophobicContact CZ-CZ3 4.39Å; F84-W156 AromaticContact CE1-CE3 3.76Å; F84-W156 HydrophobicContact CE1-CE3 3.76Å; F84-W156 AromaticContact CE1-CZ3 3.97Å; F84-W156 HydrophobicContact CE1-CZ3 3.97Å; F84-W156 HydrophobicContact CZ-CB 4.33Å; F84-W156 HydrophobicContact CZ-CD2 4.13Å; F84-W156 AromaticContact CZ-CE3 3.55Å; F84-W156 HydrophobicContact CZ-CE3 3.55Å; F84-W156 HydrophobicContact CZ-CG 4.49Å; F84-W156 HydrophobicContact CZ-CZ3 4.21Å; F84-W160 AromaticContact CE2-CE2 3.97Å; F84-W160 HydrophobicContact CE2-CZ2 4.1Å; F84-W160 AromaticContact CE2-NE1 3.73Å; F84-W160 HydrophobicContact CZ-CH2 4.45Å; F84-W160 AromaticContact CZ-CZ2 3.73Å; F84-W160 HydrophobicContact CZ-CZ2 3.73Å; F84-W162 HydrophobicContact CD2-CH2 4.39Å; F84-N167 WeakPolarHBondContact CA-OD1 3.34Å; F84-N167 WeakPolarHBondContact CD2-OD1 3.42Å; F84-N167 WeakPolarHBondContact CG-OD1 3.3Å
85	N	94.8	Very high	91.4	Very high	26 Å²	26	62.8 Å²	62.8	14%	0.139	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.6	174.5	-179.4	21.4	0	0	0	110.3	D87 H88 I166 N167	N85-D87 WeakPolarHBondContact OD1-CA 3.48Å; N85-D87 WeakPolarHBondContact OD1-CB 3.23Å; N85-D87 PolarHBondContact OD1-N 3.01Å; N85-H88 PolarHBondContact O-ND1 3.23Å; N85-H88 VanDerWaalsContact O-ND1 3.13Å; N85-I166 HydrophobicContact CB-CB 4.44Å; N85-I166 HydrophobicContact CB-CD1 4.23Å; N85-N167 PolarHBondContact N-OD1 3.03Å; N85-N167 PolarHBondContact O-ND2 3.38Å
86	W	95.4	Very high	91.5	Very high	29 Å²	29	60.9 Å²	60.9	11%	0.11	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.1	172.7	-56.9	112.3	0	0	0	112.2	F84 H88 M92 F100 W156	F84-W86 AromaticContact CD1-CD2 3.83Å; F84-W86 HydrophobicContact CD1-CD2 3.83Å; F84-W86 AromaticContact CD1-CE3 3.59Å; F84-W86 HydrophobicContact CD1-CE3 3.59Å; F84-W86 AromaticContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CZ2 4.11Å; F84-W86 AromaticContact CD1-CZ3 3.58Å; F84-W86 HydrophobicContact CD1-CZ3 3.58Å; F84-W86 HydrophobicContact CE1-CD2 4.15Å; F84-W86 AromaticContact CE1-CE3 3.46Å; F84-W86 HydrophobicContact CE1-CE3 3.46Å; F84-W86 VanDerWaalsContact CE1-CE3 3.46Å; F84-W86 HydrophobicContact CE1-CH2 4.14Å; F84-W86 AromaticContact CE1-CZ3 3.43Å; F84-W86 HydrophobicContact CE1-CZ3 3.43Å; F84-W86 VanDerWaalsContact CE1-CZ3 3.43Å; F84-W86 HydrophobicContact CZ-CZ3 4.39Å; W86-H88 VanDerWaalsContact C-N 3.33Å; W86-H88 PolarHBondContact O-N 2.81Å; W86-H88 PolarHBondContact O-ND1 3.47Å; W86-M92 HydrophobicContact CB-CE 4.17Å; W86-M92 HydrophobicContact CB-SD 4.09Å; W86-M92 WeakPolarHBondContact O-CE 3.06Å; W86-F100 HydrophobicContact CD2-CB 4.26Å; W86-F100 HydrophobicContact CE3-CB 3.97Å; W86-F100 AromaticContact CE3-CD1 3.84Å; W86-F100 HydrophobicContact CE3-CD1 3.84Å; W86-F100 HydrophobicContact CE3-CD2 4.3Å; W86-F100 HydrophobicContact CE3-CE1 4.35Å; W86-F100 AromaticContact CE3-CG 3.78Å; W86-F100 HydrophobicContact CE3-CG 3.78Å; W86-F100 HydrophobicContact CH2-CB 3.83Å; W86-F100 AromaticContact CH2-CD1 3.74Å; W86-F100 HydrophobicContact CH2-CD1 3.74Å; W86-F100 HydrophobicContact CH2-CG 4.09Å; W86-F100 HydrophobicContact CZ2-CB 4.1Å; W86-F100 HydrophobicContact CZ3-CB 3.77Å; W86-F100 AromaticContact CZ3-CD1 3.18Å; W86-F100 HydrophobicContact CZ3-CD1 3.18Å; W86-F100 HydrophobicContact CZ3-CD2 4.45Å; W86-F100 AromaticContact CZ3-CE1 3.78Å; W86-F100 HydrophobicContact CZ3-CE1 3.78Å; W86-F100 AromaticContact CZ3-CG 3.56Å; W86-F100 HydrophobicContact CZ3-CG 3.56Å; W86-W156 HydrophobicContact CE3-CE3 4.47Å; W86-W156 AromaticContact CE3-CZ3 3.75Å; W86-W156 HydrophobicContact CE3-CZ3 3.75Å; W86-W156 HydrophobicContact CZ3-CE3 4.07Å; W86-W156 AromaticContact CZ3-CZ3 3.72Å; W86-W156 HydrophobicContact CZ3-CZ3 3.72Å
87	D	96.3	Very high	91.8	Very high	44 Å²	44	57.2 Å²	57.2	24%	0.235	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	29.7	-173.1	-55.2	-43.8	0	0	0	112.7	N85 C89 G90 M92 K97	N85-D87 WeakPolarHBondContact OD1-CA 3.48Å; N85-D87 WeakPolarHBondContact OD1-CB 3.23Å; N85-D87 PolarHBondContact OD1-N 3.01Å; D87-C89 PolarHBondContact O-N 3.28Å; D87-C89 VanDerWaalsContact O-N 3.15Å; D87-G90 CarbonylContact C-O 3.38Å; D87-G90 VanDerWaalsContact C-O 3.28Å; D87-G90 WeakPolarHBondContact CA-O 3.46Å; D87-G90 WeakPolarHBondContact CB-O 3.49Å; D87-G90 PolarHBondContact O-N 3.49Å; D87-G90 VanDerWaalsContact O-N 3.13Å; D87-M92 WeakPolarHBondContact OD1-CB 3.4Å; D87-M92 PolarHBondContact OD1-N 2.85Å; D87-K97 IonicContact OD2-NZ 2.74Å
88	H	96.5	Very high	92.7	Very high	21 Å²	21	57.6 Å²	57.6	10%	0.097	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.2	-174.6	58.1	-91.9	0	0	0	114.5	N85 W86 T151 W156 W160	N85-H88 PolarHBondContact O-ND1 3.23Å; N85-H88 VanDerWaalsContact O-ND1 3.13Å; W86-H88 VanDerWaalsContact C-N 3.33Å; W86-H88 PolarHBondContact O-N 2.81Å; W86-H88 PolarHBondContact O-ND1 3.47Å; H88-T151 PolarHBondContact NE2-OG1 2.91Å; H88-W156 AromaticContact CE1-CE2 3.94Å; H88-W156 AromaticContact CE1-CH2 3.48Å; H88-W156 VanDerWaalsContact CE1-CH2 3.48Å; H88-W156 WeakPolarHBondContact CE1-CH2 3.46Å; H88-W156 AromaticContact CE1-CZ2 3.42Å; H88-W156 VanDerWaalsContact CE1-CZ2 3.42Å; H88-W156 WeakPolarHBondContact CE1-CZ2 3.23Å; H88-W156 AromaticContact NE2-CZ2 3.72Å; H88-W160 HydrophobicContact CB-CZ3 4.16Å; H88-W160 AromaticContact CD2-CH2 3.66Å; H88-W160 AromaticContact CD2-CZ3 3.74Å; H88-W160 AromaticContact CE1-CH2 3.73Å; H88-W160 AromaticContact CG-CH2 3.77Å; H88-W160 AromaticContact CG-CZ3 3.76Å; H88-W160 AromaticContact ND1-CH2 3.8Å; H88-W160 AromaticContact NE2-CH2 3.62Å
89	C	98	Very high	93.9	Very high	23 Å²	23	54.3 Å²	54.3	16%	0.155	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	30.2	173.5	-83.5	0	0	0	0	112.3	D87 C152 C169 C175	D87-C89 PolarHBondContact O-N 3.28Å; D87-C89 VanDerWaalsContact O-N 3.15Å; C89-C152 PolarHBondContact SG-N 2.03Å; C89-C152 VanDerWaalsContact SG-N 3.43Å; C89-C169 VanDerWaalsContact SG-SG 3.65Å; C89-C175 WeakPolarHBondContact CA-SG 3.27Å; C89-C175 HydrophobicContact CB-CB 3.72Å; C89-C175 WeakPolarHBondContact CB-SG 3.42Å; C89-C175 VanDerWaalsContact SG-CA 3.58Å; C89-C175 WeakPolarHBondContact SG-CB 3.47Å; C89-C175 CovalentContact SG-SG 2.04Å; C89-C175 PolarHBondContact SG-SG 3.2Å
90	G	96.3	Very high	94.7	Very high	49 Å²	49	54.6 Å²	54.6	51%	0.505	27%	0.267	S	S	.	.	S	Bend	trans	98	176.2	-168.9	0	0	0	0	0	111.3	D87 M92	D87-G90 CarbonylContact C-O 3.38Å; D87-G90 VanDerWaalsContact C-O 3.28Å; D87-G90 WeakPolarHBondContact CA-O 3.46Å; D87-G90 WeakPolarHBondContact CB-O 3.49Å; D87-G90 PolarHBondContact O-N 3.49Å; D87-G90 VanDerWaalsContact O-N 3.13Å; G90-M92 PolarHBondContact O-N 2.89Å
91	K	96.9	Very high	95.5	Very high	175 Å²	175	45.7 Å²	45.7	76%	0.761	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-61	120.1	-175.5	-172.5	177.9	-179.3	-178.7	0	110.7
92	M	97.6	Very high	96.2	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.039	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-69.8	139.5	173.6	-178.5	178.1	-77.8	0	0	110.2	W86 D87 G90 C96 K97 F100 W156	W86-M92 HydrophobicContact CB-CE 4.17Å; W86-M92 HydrophobicContact CB-SD 4.09Å; W86-M92 WeakPolarHBondContact O-CE 3.06Å; D87-M92 WeakPolarHBondContact OD1-CB 3.4Å; D87-M92 PolarHBondContact OD1-N 2.85Å; G90-M92 PolarHBondContact O-N 2.89Å; M92-C96 HydrophobicContact CG-CB 3.91Å; M92-C96 HydrophobicContact SD-CB 4.32Å; M92-K97 HydrophobicContact CG-CB 4.15Å; M92-K97 HydrophobicContact SD-CB 3.85Å; M92-K97 HydrophobicContact SD-CG 4.24Å; M92-F100 HydrophobicContact CE-CD2 3.9Å; M92-F100 HydrophobicContact CE-CE2 3.56Å; M92-F100 HydrophobicContact CE-CZ 4.3Å; M92-F100 HydrophobicContact SD-CD2 3.63Å; M92-F100 HydrophobicContact SD-CE2 3.84Å; M92-W156 HydrophobicContact CE-CH2 3.77Å; M92-W156 HydrophobicContact CE-CZ3 4.31Å
93	E	98.1	Very high	96.9	Very high	86 Å²	86	48.9 Å²	48.9	40%	0.402	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-62	137.7	177.7	-74.6	-60.8	149.7	0	0	111	T95 C96 K97 S149	E93-T95 PolarHBondContact O-N 3.38Å; E93-C96 HydrophobicContact CB-CB 4.34Å; E93-C96 WeakPolarHBondContact O-CB 3.38Å; E93-C96 PolarHBondContact O-N 3.45Å; E93-K97 PolarHBondContact O-N 2.81Å; E93-S149 WeakPolarHBondContact CB-OG 3.43Å; E93-S149 PolarHBondContact N-OG 2.83Å; E93-S149 VanDerWaalsContact N-OG 3.13Å
94	P	97.8	Very high	97.2	Very high	86 Å²	86	46.2 Å²	46.2	56%	0.558	24%	0.241	S	C	*	.	H	α-helix	trans	-57.1	-34.3	-178.2	-26.8	35.3	0	0	0	113.7	K97 R98	P94-K97 PolarHBondContact O-N 3Å; P94-R98 PolarHBondContact O-N 3.04Å
95	T	98.3	Very high	97.5	Very high	66 Å²	66	45 Å²	45	41%	0.405	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-38	176.1	49.2	0	0	0	0	112.1	E93 R98 H99 D145	E93-T95 PolarHBondContact O-N 3.38Å; T95-R98 VanDerWaalsContact O-CG 3.32Å; T95-R98 WeakPolarHBondContact O-CG 3.39Å; T95-H99 PolarHBondContact O-CD2 2.77Å; T95-D145 PolarHBondContact OG1-O 3.32Å
96	C	98.6	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.1	-48.6	173.5	-178	0	0	0	0	111.1	M92 E93 R98 H99 D145 C146 S149	M92-C96 HydrophobicContact CG-CB 3.91Å; M92-C96 HydrophobicContact SD-CB 4.32Å; E93-C96 HydrophobicContact CB-CB 4.34Å; E93-C96 WeakPolarHBondContact O-CB 3.38Å; E93-C96 PolarHBondContact O-N 3.45Å; C96-R98 PolarHBondContact O-N 3.11Å; C96-H99 WeakPolarHBondContact O-CB 3.39Å; C96-H99 PolarHBondContact O-N 3.35Å; C96-D145 WeakPolarHBondContact CB-O 3.41Å; C96-D145 PolarHBondContact N-O 3.26Å; C96-C146 WeakPolarHBondContact CA-SG 3.47Å; C96-C146 HydrophobicContact CB-CB 3.91Å; C96-C146 WeakPolarHBondContact CB-SG 3.08Å; C96-C146 VanDerWaalsContact SG-CA 3.51Å; C96-C146 WeakPolarHBondContact SG-CB 3.1Å; C96-C146 CovalentContact SG-SG 2.04Å; C96-C146 PolarHBondContact SG-SG 3.03Å; C96-S149 WeakPolarHBondContact CB-OG 3.21Å
97	K	97.5	Very high	97.8	Very high	24 Å²	24	46.5 Å²	46.5	10%	0.104	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-34.8	-177.7	-166.9	172	-164.6	161.6	0	112.7	D77 D87 M92 E93 P94 H99 F100 I101	D77-K97 VanDerWaalsContact CG-NZ 3.32Å; D77-K97 WeakPolarHBondContact OD1-CE 3.32Å; D77-K97 IonicContact OD1-NZ 3.65Å; D77-K97 PolarHBondContact OD1-NZ 2.88Å; D87-K97 IonicContact OD2-NZ 2.74Å; M92-K97 HydrophobicContact CG-CB 4.15Å; M92-K97 HydrophobicContact SD-CB 3.85Å; M92-K97 HydrophobicContact SD-CG 4.24Å; E93-K97 PolarHBondContact O-N 2.81Å; P94-K97 PolarHBondContact O-N 3Å; K97-H99 PolarHBondContact O-N 3.24Å; K97-F100 PolarHBondContact O-N 3.23Å; K97-I101 HydrophobicContact CG-CD1 4.29Å; K97-I101 WeakPolarHBondContact O-CG1 3.46Å; K97-I101 PolarHBondContact O-N 3.17Å; K97-I101 VanDerWaalsContact O-N 3.08Å
98	R	98.1	Very high	97.9	Very high	100 Å²	100	44.5 Å²	44.5	38%	0.377	23%	0.232	S	C	.	.	H	α-helix	trans	-57.8	-36.1	176.4	96	-169.1	167.8	85.7	-1.5	111.9	Q56 P94 T95 C96 I101 Q102 D145	Q56-R98 PolarHBondContact OE1-O 3.08Å; P94-R98 PolarHBondContact O-N 3.04Å; T95-R98 VanDerWaalsContact O-CG 3.32Å; T95-R98 WeakPolarHBondContact O-CG 3.39Å; C96-R98 PolarHBondContact O-N 3.11Å; R98-I101 PolarHBondContact O-N 3.46Å; R98-Q102 WeakPolarHBondContact O-CB 3.05Å; R98-Q102 PolarHBondContact O-N 3.05Å; R98-D145 IonicContact CZ-OD2 3.69Å; R98-D145 IonicContact NE-OD2 3.11Å; R98-D145 PolarHBondContact NE-OD2 3.05Å; R98-D145 IonicContact NH2-OD2 2.82Å; R98-D145 PolarHBondContact NH2-OD2 2.84Å
99	H	98.6	Very high	98	Very high	21 Å²	21	43.5 Å²	43.5	10%	0.097	23%	0.228	C	C	.	.	H	α-helix	trans	-70.9	-38.3	-179.2	-69.9	-73.2	0	0	0	111.9	T95 C96 K97 I101 Q102 D103 R141 W142 D145	T95-H99 PolarHBondContact O-CD2 2.77Å; C96-H99 WeakPolarHBondContact O-CB 3.39Å; C96-H99 PolarHBondContact O-N 3.35Å; K97-H99 PolarHBondContact O-N 3.24Å; H99-I101 VanDerWaalsContact C-N 3.32Å; H99-I101 PolarHBondContact O-N 2.82Å; H99-Q102 PolarHBondContact O-N 3.44Å; H99-D103 VanDerWaalsContact O-CB 3.32Å; H99-D103 WeakPolarHBondContact O-CB 3.09Å; H99-D103 PolarHBondContact O-N 2.9Å; H99-R141 PolarHBondContact NE2-O 3.15Å; H99-W142 HydrophobicContact CB-CB 4.09Å; H99-W142 HydrophobicContact CB-CD2 3.88Å; H99-W142 HydrophobicContact CB-CG 3.51Å; H99-W142 AromaticContact CD2-CD1 3.98Å; H99-W142 AromaticContact CG-CD1 3.73Å; H99-W142 AromaticContact CG-CG 3.79Å; H99-D145 IonicContact CD2-OD2 3.75Å; H99-D145 IonicContact CE1-OD2 2.59Å; H99-D145 WeakPolarHBondContact NE2-CB 3.47Å; H99-D145 IonicContact NE2-OD2 3.52Å; H99-D145 PolarHBondContact NE2-OD2 3.19Å
100	F	97.6	Very high	98	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.057	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-36.6	173.5	-75	-75.4	0	0	0	112.9	W86 M92 K97 S104 W142 W156 F178	W86-F100 HydrophobicContact CD2-CB 4.26Å; W86-F100 HydrophobicContact CE3-CB 3.97Å; W86-F100 AromaticContact CE3-CD1 3.84Å; W86-F100 HydrophobicContact CE3-CD1 3.84Å; W86-F100 HydrophobicContact CE3-CD2 4.3Å; W86-F100 HydrophobicContact CE3-CE1 4.35Å; W86-F100 AromaticContact CE3-CG 3.78Å; W86-F100 HydrophobicContact CE3-CG 3.78Å; W86-F100 HydrophobicContact CH2-CB 3.83Å; W86-F100 AromaticContact CH2-CD1 3.74Å; W86-F100 HydrophobicContact CH2-CD1 3.74Å; W86-F100 HydrophobicContact CH2-CG 4.09Å; W86-F100 HydrophobicContact CZ2-CB 4.1Å; W86-F100 HydrophobicContact CZ3-CB 3.77Å; W86-F100 AromaticContact CZ3-CD1 3.18Å; W86-F100 HydrophobicContact CZ3-CD1 3.18Å; W86-F100 HydrophobicContact CZ3-CD2 4.45Å; W86-F100 AromaticContact CZ3-CE1 3.78Å; W86-F100 HydrophobicContact CZ3-CE1 3.78Å; W86-F100 AromaticContact CZ3-CG 3.56Å; W86-F100 HydrophobicContact CZ3-CG 3.56Å; M92-F100 HydrophobicContact CE-CD2 3.9Å; M92-F100 HydrophobicContact CE-CE2 3.56Å; M92-F100 HydrophobicContact CE-CZ 4.3Å; M92-F100 HydrophobicContact SD-CD2 3.63Å; M92-F100 HydrophobicContact SD-CE2 3.84Å; K97-F100 PolarHBondContact O-N 3.23Å; F100-S104 WeakPolarHBondContact O-CB 3.42Å; F100-S104 PolarHBondContact O-N 3.23Å; F100-S104 PolarHBondContact O-OG 3.34Å; F100-W142 AromaticContact CD1-CZ2 3.66Å; F100-W142 HydrophobicContact CD1-CZ2 3.66Å; F100-W142 AromaticContact CE1-CZ2 3.57Å; F100-W142 HydrophobicContact CE1-CZ2 3.57Å; F100-W142 HydrophobicContact CE2-CZ2 4.45Å; F100-W142 AromaticContact CE2-NE1 3.8Å; F100-W142 HydrophobicContact CG-CZ2 4.19Å; F100-W142 AromaticContact CZ-CZ2 3.99Å; F100-W142 HydrophobicContact CZ-CZ2 3.99Å; F100-W142 AromaticContact CZ-NE1 4Å; F100-W156 HydrophobicContact CD1-CZ3 4.08Å; F100-W156 AromaticContact CE1-CE3 3.75Å; F100-W156 HydrophobicContact CE1-CE3 3.75Å; F100-W156 AromaticContact CE1-CH2 3.91Å; F100-W156 HydrophobicContact CE1-CH2 3.91Å; F100-W156 AromaticContact CE1-CZ3 3.26Å; F100-W156 HydrophobicContact CE1-CZ3 3.26Å; F100-W156 HydrophobicContact CE2-CH2 4.02Å; F100-W156 HydrophobicContact CE2-CZ3 4.06Å; F100-W156 HydrophobicContact CZ-CE3 4.09Å; F100-W156 AromaticContact CZ-CH2 3.37Å; F100-W156 HydrophobicContact CZ-CH2 3.37Å; F100-W156 HydrophobicContact CZ-CZ2 4.3Å; F100-W156 AromaticContact CZ-CZ3 3.24Å; F100-W156 HydrophobicContact CZ-CZ3 3.24Å; F100-F178 HydrophobicContact CE2-CE2 4.15Å; F100-F178 HydrophobicContact CE2-CZ 4.2Å; F100-F178 AromaticContact CZ-CE2 3.87Å; F100-F178 HydrophobicContact CZ-CE2 3.87Å; F100-F178 AromaticContact CZ-CZ 3.68Å; F100-F178 HydrophobicContact CZ-CZ 3.68Å
101	I	97.8	Very high	98.1	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-46.4	173.4	-64.3	169.5	0	0	0	110	Q56 H75 K97 R98 H99 D103 S104 C105	Q56-I101 HydrophobicContact CB-CG2 4.03Å; Q56-I101 HydrophobicContact CG-CG2 4.17Å; H75-I101 WeakPolarHBondContact NE2-CG2 3.45Å; K97-I101 HydrophobicContact CG-CD1 4.29Å; K97-I101 WeakPolarHBondContact O-CG1 3.46Å; K97-I101 PolarHBondContact O-N 3.17Å; K97-I101 VanDerWaalsContact O-N 3.08Å; R98-I101 PolarHBondContact O-N 3.46Å; H99-I101 VanDerWaalsContact C-N 3.32Å; H99-I101 PolarHBondContact O-N 2.82Å; I101-D103 PolarHBondContact O-N 3.02Å; I101-S104 WeakPolarHBondContact O-CB 3.49Å; I101-S104 PolarHBondContact O-N 2.86Å; I101-C105 PolarHBondContact O-N 3.01Å; I101-C105 PolarHBondContact O-SG 3.44Å; I101-C105 VanDerWaalsContact O-SG 3.4Å
102	Q	98.4	Very high	98.2	Very high	75 Å²	75	37.1 Å²	37.1	35%	0.35	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-42.7	178.3	-171.7	66.3	26.3	0	0	112.4	Q56 R98 H99 S104 C105 L106	Q56-Q102 PolarHBondContact O-OE1 2.68Å; R98-Q102 WeakPolarHBondContact O-CB 3.05Å; R98-Q102 PolarHBondContact O-N 3.05Å; H99-Q102 PolarHBondContact O-N 3.44Å; Q102-S104 VanDerWaalsContact C-N 3.32Å; Q102-C105 PolarHBondContact O-N 3.33Å; Q102-L106 PolarHBondContact O-N 3.12Å
103	D	98.3	Very high	98.2	Very high	67 Å²	67	37.1 Å²	37.1	36%	0.358	19%	0.19	S	C	.	.	H	α-helix	trans	-58.7	-45	172.9	173.9	63.2	0	0	0	110.8	H99 I101 C105 L106 Y107 W142	H99-D103 VanDerWaalsContact O-CB 3.32Å; H99-D103 WeakPolarHBondContact O-CB 3.09Å; H99-D103 PolarHBondContact O-N 2.9Å; I101-D103 PolarHBondContact O-N 3.02Å; D103-C105 PolarHBondContact O-N 3.49Å; D103-L106 WeakPolarHBondContact O-CB 3.43Å; D103-L106 PolarHBondContact O-N 3.3Å; D103-Y107 WeakPolarHBondContact O-CB 3.44Å; D103-Y107 PolarHBondContact O-N 3.21Å; D103-W142 HydrophobicContact CB-CH2 3.86Å; D103-W142 HydrophobicContact CB-CZ3 4.13Å
104	S	97.4	Very high	98.2	Very high	17 Å²	17	33.1 Å²	33.1	12%	0.119	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-40	176.6	-58.8	0	0	0	0	112.5	F100 I101 Q102 Y107 E108	F100-S104 WeakPolarHBondContact O-CB 3.42Å; F100-S104 PolarHBondContact O-N 3.23Å; F100-S104 PolarHBondContact O-OG 3.34Å; I101-S104 WeakPolarHBondContact O-CB 3.49Å; I101-S104 PolarHBondContact O-N 2.86Å; Q102-S104 VanDerWaalsContact C-N 3.32Å; S104-Y107 PolarHBondContact O-N 2.82Å; S104-E108 WeakPolarHBondContact O-CB 3.35Å; S104-E108 WeakPolarHBondContact O-CG 3.41Å; S104-E108 PolarHBondContact O-N 2.82Å
105	C	98.5	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-42.6	173	-67	0	0	0	0	111.2	C57 W60 I101 Q102 D103 C109	C57-C105 WeakPolarHBondContact CA-SG 3.36Å; C57-C105 HydrophobicContact CB-CB 3.9Å; C57-C105 WeakPolarHBondContact CB-SG 3.45Å; C57-C105 PolarHBondContact N-SG 3.23Å; C57-C105 WeakPolarHBondContact SG-CB 3.49Å; C57-C105 CovalentContact SG-SG 2.05Å; C57-C105 PolarHBondContact SG-SG 3.14Å; W60-C105 HydrophobicContact CE3-CB 4.09Å; W60-C105 HydrophobicContact CH2-CB 3.81Å; W60-C105 HydrophobicContact CZ3-CB 3.37Å; I101-C105 PolarHBondContact O-N 3.01Å; I101-C105 PolarHBondContact O-SG 3.44Å; I101-C105 VanDerWaalsContact O-SG 3.4Å; Q102-C105 PolarHBondContact O-N 3.33Å; D103-C105 PolarHBondContact O-N 3.49Å; C105-C109 WeakPolarHBondContact O-CA 3.49Å; C105-C109 WeakPolarHBondContact O-CB 3.24Å; C105-C109 PolarHBondContact O-N 2.73Å; C105-C109 PolarHBondContact O-SG 3.22Å; C105-C109 VanDerWaalsContact O-SG 3.42Å
106	L	98.8	Very high	98.1	Very high	51 Å²	51	31.5 Å²	31.5	27%	0.267	15%	0.153	S	C	.	.	H	α-helix	trans	-60.2	-48.2	175.4	175.9	69.5	0	0	0	110.9	W60 Q102 D103 S110	W60-L106 HydrophobicContact CH2-CB 4.26Å; W60-L106 HydrophobicContact CZ2-CB 4.05Å; W60-L106 HydrophobicContact CZ2-CD1 3.97Å; Q102-L106 PolarHBondContact O-N 3.12Å; D103-L106 WeakPolarHBondContact O-CB 3.43Å; D103-L106 PolarHBondContact O-N 3.3Å; L106-S110 WeakPolarHBondContact O-CB 3.38Å; L106-S110 PolarHBondContact O-N 2.5Å; L106-S110 VanDerWaalsContact O-N 3.1Å
107	Y	98.3	Very high	98	Very high	35 Å²	35	32.4 Å²	32.4	14%	0.137	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-48.4	-179.1	177.4	-93.9	0	0	0	112.2	M38 H43 D103 S104 I129	M38-Y107 HydrophobicContact CE-CD2 4.11Å; M38-Y107 HydrophobicContact CE-CE2 4.04Å; M38-Y107 VanDerWaalsContact CE-O 3.27Å; M38-Y107 WeakPolarHBondContact CE-O 3.37Å; M38-Y107 HydrophobicContact SD-CD2 4.48Å; M38-Y107 HydrophobicContact SD-CE2 3.82Å; H43-Y107 AromaticContact CE1-CE1 3.72Å; H43-Y107 PolarHBondContact NE2-O 2.9Å; D103-Y107 WeakPolarHBondContact O-CB 3.44Å; D103-Y107 PolarHBondContact O-N 3.21Å; S104-Y107 PolarHBondContact O-N 2.82Å; Y107-I129 HydrophobicContact CD2-CD1 3.67Å; Y107-I129 HydrophobicContact CD2-CG1 4.11Å; Y107-I129 HydrophobicContact CE2-CD1 4.26Å; Y107-I129 HydrophobicContact CE2-CG1 4.2Å
108	E	98.3	Very high	97.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-78.5	-36.2	-176.6	-62.7	-59.7	166.2	0	0	112.8	H43 C65 C66 T70 L74 Y82 S104	H43-E108 PolarHBondContact CD2-O 2.98Å; H43-E108 IonicContact CE1-OE2 2.72Å; H43-E108 PolarHBondContact CE1-OE2 3.48Å; H43-E108 IonicContact ND1-OE2 3.68Å; H43-E108 PolarHBondContact NE2-O 2.95Å; H43-E108 IonicContact NE2-OE2 3.46Å; C65-E108 CarbonylContact C-O 3.55Å; C65-E108 VanDerWaalsContact C-O 3.27Å; C65-E108 WeakPolarHBondContact CB-O 3.07Å; C66-E108 HydrophobicContact CB-CB 3.99Å; C66-E108 PolarHBondContact N-O 3.4Å; T70-E108 HydrophobicContact CG2-CB 4.11Å; T70-E108 HydrophobicContact CG2-CG 4.11Å; L74-E108 HydrophobicContact CD1-CB 4.25Å; L74-E108 HydrophobicContact CD1-CG 3.99Å; L74-E108 HydrophobicContact CD2-CG 4.44Å; Y82-E108 VanDerWaalsContact CE2-OE1 3.23Å; Y82-E108 WeakPolarHBondContact CE2-OE1 3.33Å; Y82-E108 VanDerWaalsContact CZ-OE1 3.25Å; Y82-E108 PolarHBondContact OH-OE1 2.92Å; S104-E108 WeakPolarHBondContact O-CB 3.35Å; S104-E108 WeakPolarHBondContact O-CG 3.41Å; S104-E108 PolarHBondContact O-N 2.82Å
109	C	98.8	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-103.4	-22.4	-166.7	-53.3	0	0	0	0	114.7	W60 A64 C65 C66 C105 P111	W60-C109 HydrophobicContact CB-CB 3.87Å; W60-C109 HydrophobicContact CD2-CB 3.91Å; W60-C109 HydrophobicContact CE3-CB 4.28Å; W60-C109 HydrophobicContact CG-CB 3.72Å; A64-C109 CarbonylContact C-O 3.14Å; A64-C109 WeakPolarHBondContact CA-O 3.18Å; A64-C109 HydrophobicContact CB-CB 4.37Å; C65-C109 PolarHBondContact N-O 2.97Å; C66-C109 HydrophobicContact CB-CB 3.92Å; C66-C109 WeakPolarHBondContact CB-SG 3.42Å; C66-C109 WeakPolarHBondContact SG-CB 3.36Å; C66-C109 CovalentContact SG-SG 2.04Å; C66-C109 PolarHBondContact SG-SG 3.03Å; C105-C109 WeakPolarHBondContact O-CA 3.49Å; C105-C109 WeakPolarHBondContact O-CB 3.24Å; C105-C109 PolarHBondContact O-N 2.73Å; C105-C109 PolarHBondContact O-SG 3.22Å; C105-C109 VanDerWaalsContact O-SG 3.42Å; C109-P111 WeakPolarHBondContact O-CD 3.23Å
110	S	98.8	Very high	96.8	Very high	10 Å²	10	38.4 Å²	38.4	7%	0.07	19%	0.186	C	C	.	.			trans	-73.2	122.8	-171	-176	0	0	0	0	113.4	L106 N112	L106-S110 WeakPolarHBondContact O-CB 3.38Å; L106-S110 PolarHBondContact O-N 2.5Å; L106-S110 VanDerWaalsContact O-N 3.1Å; S110-N112 PolarHBondContact O-N 3.19Å; S110-N112 PolarHBondContact OG-N 2.78Å
111	P	98.4	Very high	95.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.013	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	4.3	173.1	37.3	-36.6	0	0	0	113	N35 V36 P47 C109	N35-P111 CarbonylContact C-O 3.56Å; N35-P111 WeakPolarHBondContact CA-O 3.39Å; N35-P111 PolarHBondContact N-O 3.08Å; V36-P111 PolarHBondContact N-O 3.47Å; V36-P111 CarbonylContact O-C 3.5Å; V36-P111 WeakPolarHBondContact O-CA 3.48Å; P47-P111 HydrophobicContact CB-CB 3.69Å; P47-P111 HydrophobicContact CG-CB 3.43Å; P47-P111 VanDerWaalsContact CG-CB 3.43Å; C109-P111 WeakPolarHBondContact O-CD 3.23Å
112	N	98.5	Very high	94.8	Very high	102 Å²	102	49 Å²	49	55%	0.545	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	6	-171.7	-57.4	108.5	0	0	0	113.4	S110 G114 W116	S110-N112 PolarHBondContact O-N 3.19Å; S110-N112 PolarHBondContact OG-N 2.78Å; N112-G114 VanDerWaalsContact C-N 3.33Å; N112-W116 WeakPolarHBondContact O-CZ3 3.07Å
113	L	98.3	Very high	93.8	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.042	27%	0.268	C	S	.	.			trans	-87	-0.2	-177.4	-64.3	175.8	0	0	0	114.2	M38 P115 W116 I117 I129 V132	M38-L113 HydrophobicContact CE-CD1 4.2Å; L113-P115 VanDerWaalsContact C-CD 3.41Å; L113-W116 HydrophobicContact CD2-CE3 4.07Å; L113-W116 HydrophobicContact CD2-CZ3 4.27Å; L113-W116 PolarHBondContact O-N 3.35Å; L113-I117 PolarHBondContact O-N 3.22Å; L113-I129 HydrophobicContact CB-CG2 4Å; L113-I129 HydrophobicContact CD1-CD1 4.01Å; L113-I129 HydrophobicContact CD1-CG2 4.2Å; L113-V132 HydrophobicContact CD2-CG1 3.97Å; L113-V132 HydrophobicContact CD2-CG2 4.17Å
114	G	97.5	Very high	92.5	Very high	1 Å²	1	54 Å²	54	1%	0.01	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-49.4	-41.2	-174.6	0	0	0	0	0	116.4	L33 N112 W116 I117	L33-G114 WeakPolarHBondContact O-CA 3.44Å; N112-G114 VanDerWaalsContact C-N 3.33Å; G114-W116 PolarHBondContact O-N 2.59Å; G114-W116 VanDerWaalsContact O-N 3.08Å; G114-I117 PolarHBondContact O-N 3.22Å; G114-I117 VanDerWaalsContact O-N 3.14Å
115	P	96.7	Very high	91.7	Very high	45 Å²	45	54 Å²	54	29%	0.292	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-59	-24	177.6	-26.5	36.7	0	0	0	114.8	L33 L113 R118	L33-P115 HydrophobicContact CB-CG 4.34Å; L33-P115 WeakPolarHBondContact O-CD 3.42Å; L113-P115 VanDerWaalsContact C-CD 3.41Å; P115-R118 PolarHBondContact O-NH1 2.77Å
116	W	97.4	Very high	91.2	Very high	73 Å²	73	60.3 Å²	60.3	28%	0.277	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-104.7	-0.6	-176.7	-55.7	-74	0	0	0	113.5	N112 L113 G114 I129 L130 N131 V132 P133	N112-W116 WeakPolarHBondContact O-CZ3 3.07Å; L113-W116 HydrophobicContact CD2-CE3 4.07Å; L113-W116 HydrophobicContact CD2-CZ3 4.27Å; L113-W116 PolarHBondContact O-N 3.35Å; G114-W116 PolarHBondContact O-N 2.59Å; G114-W116 VanDerWaalsContact O-N 3.08Å; W116-I129 WeakPolarHBondContact O-CA 3.04Å; W116-L130 WeakPolarHBondContact CB-O 3.42Å; W116-L130 PolarHBondContact O-N 3Å; W116-N131 PolarHBondContact NE1-O 2.98Å; W116-V132 HydrophobicContact CB-CG2 3.68Å; W116-V132 HydrophobicContact CD2-CG2 4.17Å; W116-V132 HydrophobicContact CE3-CG1 4.38Å; W116-V132 HydrophobicContact CE3-CG2 4.3Å; W116-V132 HydrophobicContact CG-CB 4.45Å; W116-V132 HydrophobicContact CG-CG2 3.88Å; W116-P133 HydrophobicContact CH2-CG 4.15Å; W116-P133 HydrophobicContact CZ2-CG 3.42Å; W116-P133 VanDerWaalsContact CZ2-CG 3.42Å; W116-P133 VanDerWaalsContact NE1-CD 3.26Å
117	I	96	Very high	90.9	Very high	19 Å²	19	58.5 Å²	58.5	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.2	174.3	-64.4	177.5	0	0	0	109.7	V36 M38 L113 G114 E127 R128 I129	V36-I117 HydrophobicContact CG2-CD1 4.18Å; M38-I117 HydrophobicContact CB-CD1 3.63Å; M38-I117 HydrophobicContact CB-CG1 4.04Å; M38-I117 HydrophobicContact CB-CG2 4.47Å; L113-I117 PolarHBondContact O-N 3.22Å; G114-I117 PolarHBondContact O-N 3.22Å; G114-I117 VanDerWaalsContact O-N 3.14Å; I117-E127 HydrophobicContact CG2-CB 3.81Å; I117-E127 VanDerWaalsContact CG2-CD 3.45Å; I117-E127 HydrophobicContact CG2-CG 3.91Å; I117-R128 CarbonylContact C-O 3.54Å; I117-R128 WeakPolarHBondContact CA-O 3.43Å; I117-I129 HydrophobicContact CG1-CG2 4.33Å
118	R	93.6	Very high	90.7	Very high	119 Å²	119	59.4 Å²	59.4	45%	0.449	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.7	176.8	-62.2	-65.4	-178.3	-88.8	-2.2	109.4	P115 E127 R128 L130	P115-R118 PolarHBondContact O-NH1 2.77Å; R118-E127 WeakPolarHBondContact O-CA 3.47Å; R118-R128 PolarHBondContact N-O 3.42Å; R118-R128 PolarHBondContact O-N 3.18Å; R118-L130 HydrophobicContact CB-CD1 4.15Å; R118-L130 HydrophobicContact CB-CG 4.41Å; R118-L130 HydrophobicContact CG-CB 4.17Å; R118-L130 HydrophobicContact CG-CD1 4.03Å; R118-L130 HydrophobicContact CG-CG 4.24Å
119	Q	90.4	Very high	90.6	Very high	127 Å²	127	60.8 Å²	60.8	59%	0.593	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.4	173.2	-69.9	-76.1	-32.9	0	0	109.7	K126 E127	Q119-K126 WeakPolarHBondContact CA-O 3.46Å; Q119-K126 PolarHBondContact OE1-O 2.66Å; Q119-E127 VanDerWaalsContact NE2-CD 3.3Å; Q119-E127 VanDerWaalsContact NE2-CG 3.25Å; Q119-E127 PolarHBondContact NE2-OE1 3.37Å
120	V	85.8	Confident	90.4	Very high	25 Å²	25	63.9 Å²	63.9	15%	0.152	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	126	174	-72.4	0	0	0	0	108.9	Q122 R125 K126 R128	V120-Q122 HydrophobicContact CB-CG 4.39Å; V120-Q122 PolarHBondContact O-N 3.42Å; V120-R125 HydrophobicContact CG2-CG 4.01Å; V120-R125 VanDerWaalsContact O-O 3.09Å; V120-K126 PolarHBondContact N-O 3.1Å; V120-K126 CarbonylContact O-C 3.57Å; V120-K126 WeakPolarHBondContact O-CA 3.44Å; V120-R128 HydrophobicContact CB-CG 4.47Å; V120-R128 HydrophobicContact CG1-CG 3.62Å; V120-R128 HydrophobicContact CG2-CB 4.16Å; V120-R128 HydrophobicContact CG2-CG 3.96Å
121	N	72.9	Confident	90.3	Very high	168 Å²	168	70.6 Å²	70.6	90%	0.898	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	65.4	177.7	-68.7	-19.7	0	0	0	110.1
122	Q	80	Confident	90.3	Very high	83 Å²	83	72.6 Å²	72.6	39%	0.388	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.7	175.6	-66	-175.4	-13.2	0	0	110.3	V120 W124 R125	V120-Q122 HydrophobicContact CB-CG 4.39Å; V120-Q122 PolarHBondContact O-N 3.42Å; Q122-W124 PolarHBondContact O-N 3.09Å; Q122-W124 VanDerWaalsContact O-N 3.15Å; Q122-R125 HydrophobicContact CB-CG 4.22Å; Q122-R125 PolarHBondContact O-N 3.03Å
123	S	76.3	Confident	90.3	Very high	131 Å²	131	71.9 Å²	71.9	92%	0.916	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.6	-174.8	52.3	0	0	0	0	114.4
124	W	72.3	Confident	90.3	Very high	116 Å²	116	75.3 Å²	75.3	44%	0.439	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-4.6	-173.1	62.5	-90.5	0	0	0	114.6	Y82 Q122	Y82-W124 HydrophobicContact CE1-CZ3 4.32Å; Q122-W124 PolarHBondContact O-N 3.09Å; Q122-W124 VanDerWaalsContact O-N 3.15Å
125	R	80.4	Confident	90.4	Very high	19 Å²	19	78.7 Å²	78.7	7%	0.072	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	136.6	174	59.4	174.7	175.9	-161.4	-9.1	110.4	A40 V120 Q122	A40-R125 HydrophobicContact CB-CB 4.19Å; V120-R125 HydrophobicContact CG2-CG 4.01Å; V120-R125 VanDerWaalsContact O-O 3.09Å; Q122-R125 HydrophobicContact CB-CG 4.22Å; Q122-R125 PolarHBondContact O-N 3.03Å
126	K	87.7	Confident	90.4	Very high	132 Å²	132	82.9 Å²	82.9	57%	0.574	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	-26.6	176.5	-65.5	-179.2	178.1	178.6	0	111.8	N39 Q119 V120	N39-K126 HydrophobicContact CB-CB 4.42Å; N39-K126 PolarHBondContact O-N 2.59Å; Q119-K126 WeakPolarHBondContact CA-O 3.46Å; Q119-K126 PolarHBondContact OE1-O 2.66Å; V120-K126 PolarHBondContact N-O 3.1Å; V120-K126 CarbonylContact O-C 3.57Å; V120-K126 WeakPolarHBondContact O-CA 3.44Å
127	E	92.9	Very high	90.5	Very high	13 Å²	13	84.8 Å²	84.8	6%	0.061	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	156	178.6	-71.2	-176.9	142.7	0	0	111.4	R28 M38 N39 I117 R118 Q119	R28-E127 IonicContact NH1-OE1 3.57Å; M38-E127 HydrophobicContact CB-CB 4.35Å; N39-E127 HydrophobicContact CB-CB 4.42Å; N39-E127 HydrophobicContact CB-CG 4.22Å; N39-E127 WeakPolarHBondContact CB-OE2 3.16Å; N39-E127 PolarHBondContact N-OE2 2.95Å; N39-E127 PolarHBondContact O-N 3.42Å; I117-E127 HydrophobicContact CG2-CB 3.81Å; I117-E127 VanDerWaalsContact CG2-CD 3.45Å; I117-E127 HydrophobicContact CG2-CG 3.91Å; R118-E127 WeakPolarHBondContact O-CA 3.47Å; Q119-E127 VanDerWaalsContact NE2-CD 3.3Å; Q119-E127 VanDerWaalsContact NE2-CG 3.25Å; Q119-E127 PolarHBondContact NE2-OE1 3.37Å
128	R	93.4	Very high	90.6	Very high	53 Å²	53	88.2 Å²	88.2	20%	0.2	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	165	168.2	68.6	176.8	-71.2	-177.2	-4.7	110.4	I117 R118 V120 L130	I117-R128 CarbonylContact C-O 3.54Å; I117-R128 WeakPolarHBondContact CA-O 3.43Å; R118-R128 PolarHBondContact N-O 3.42Å; R118-R128 PolarHBondContact O-N 3.18Å; V120-R128 HydrophobicContact CB-CG 4.47Å; V120-R128 HydrophobicContact CG1-CG 3.62Å; V120-R128 HydrophobicContact CG2-CB 4.16Å; V120-R128 HydrophobicContact CG2-CG 3.96Å; R128-L130 HydrophobicContact CG-CD2 4.45Å; R128-L130 HydrophobicContact CG-CG 4.35Å
129	I	95.8	Very high	90.9	Very high	31 Å²	31	85.8 Å²	85.8	16%	0.159	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	142.9	169.1	63.4	-175.4	0	0	0	111.2	M38 Y107 L113 W116 I117 V132	M38-I129 HydrophobicContact CE-CG2 3.58Å; M38-I129 HydrophobicContact SD-CG2 4.25Å; Y107-I129 HydrophobicContact CD2-CD1 3.67Å; Y107-I129 HydrophobicContact CD2-CG1 4.11Å; Y107-I129 HydrophobicContact CE2-CD1 4.26Å; Y107-I129 HydrophobicContact CE2-CG1 4.2Å; L113-I129 HydrophobicContact CB-CG2 4Å; L113-I129 HydrophobicContact CD1-CD1 4.01Å; L113-I129 HydrophobicContact CD1-CG2 4.2Å; W116-I129 WeakPolarHBondContact O-CA 3.04Å; I117-I129 HydrophobicContact CG1-CG2 4.33Å; I129-V132 HydrophobicContact CB-CG2 3.89Å; I129-V132 HydrophobicContact CD1-CG2 3.96Å; I129-V132 HydrophobicContact CG1-CG2 4.18Å
130	L	95.4	Very high	91.3	Very high	64 Å²	64	84.8 Å²	84.8	34%	0.335	44%	0.443	S	S	.	.			trans	-136.8	138.6	171.9	-66.8	-177.6	0	0	0	110.1	W116 R118 R128 V132	W116-L130 WeakPolarHBondContact CB-O 3.42Å; W116-L130 PolarHBondContact O-N 3Å; R118-L130 HydrophobicContact CB-CD1 4.15Å; R118-L130 HydrophobicContact CB-CG 4.41Å; R118-L130 HydrophobicContact CG-CB 4.17Å; R118-L130 HydrophobicContact CG-CD1 4.03Å; R118-L130 HydrophobicContact CG-CG 4.24Å; R128-L130 HydrophobicContact CG-CD2 4.45Å; R128-L130 HydrophobicContact CG-CG 4.35Å; L130-V132 VanDerWaalsContact C-N 3.33Å; L130-V132 PolarHBondContact O-N 2.86Å
131	N	96.6	Very high	91.9	Very high	151 Å²	151	91 Å²	91	81%	0.807	46%	0.463	S	S	*	.	S	Bend	trans	56.8	41.5	174.5	-51.2	-24.1	0	0	0	113.7	W116	W116-N131 PolarHBondContact NE1-O 2.98Å
132	V	98.2	Very high	93.1	Very high	45 Å²	45	85.5 Å²	85.5	27%	0.273	43%	0.43	S	S	.	.			trans	-64.6	127.5	169.6	179.2	0	0	0	0	108.2	L113 W116 I129 L130 L134	L113-V132 HydrophobicContact CD2-CG1 3.97Å; L113-V132 HydrophobicContact CD2-CG2 4.17Å; W116-V132 HydrophobicContact CB-CG2 3.68Å; W116-V132 HydrophobicContact CD2-CG2 4.17Å; W116-V132 HydrophobicContact CE3-CG1 4.38Å; W116-V132 HydrophobicContact CE3-CG2 4.3Å; W116-V132 HydrophobicContact CG-CB 4.45Å; W116-V132 HydrophobicContact CG-CG2 3.88Å; I129-V132 HydrophobicContact CB-CG2 3.89Å; I129-V132 HydrophobicContact CD1-CG2 3.96Å; I129-V132 HydrophobicContact CG1-CG2 4.18Å; L130-V132 VanDerWaalsContact C-N 3.33Å; L130-V132 PolarHBondContact O-N 2.86Å; V132-L134 PolarHBondContact O-N 2.87Å
133	P	98.3	Very high	94	Very high	86 Å²	86	88.7 Å²	88.7	56%	0.558	44%	0.438	S	S	*	.			trans	-79.3	77.4	-179	33.2	-35.6	0	0	0	108.8	W116 C135	W116-P133 HydrophobicContact CH2-CG 4.15Å; W116-P133 HydrophobicContact CZ2-CG 3.42Å; W116-P133 VanDerWaalsContact CZ2-CG 3.42Å; W116-P133 VanDerWaalsContact NE1-CD 3.26Å; P133-C135 PolarHBondContact O-N 3.43Å
134	L	98.6	Very high	95.1	Very high	80 Å²	80	86.1 Å²	86.1	42%	0.419	41%	0.412	S	S	.	.			trans	-58.3	137.5	172	-173	63.6	0	0	0	109	V132 D138 C139	V132-L134 PolarHBondContact O-N 2.87Å; L134-D138 HydrophobicContact CD1-CB 3.85Å; L134-D138 HydrophobicContact CD2-CB 4.4Å; L134-D138 HydrophobicContact CG-CB 4.03Å; L134-C139 HydrophobicContact CD2-CB 3.94Å
135	C	98.8	Very high	96.4	Very high	73 Å²	73	82.5 Å²	82.5	49%	0.493	40%	0.401	S	S	.	.			trans	-59.6	146.6	174.8	-63.1	0	0	0	0	110	P133 E137 D138 C139	P133-C135 PolarHBondContact O-N 3.43Å; C135-E137 VanDerWaalsContact C-N 3.28Å; C135-E137 PolarHBondContact O-N 2.78Å; C135-D138 HydrophobicContact CB-CB 4.48Å; C135-D138 VanDerWaalsContact CB-OD2 3.28Å; C135-D138 WeakPolarHBondContact CB-OD2 3.16Å; C135-D138 PolarHBondContact O-N 3.05Å; C135-C139 PolarHBondContact O-N 3.38Å
136	K	98.6	Very high	97.2	Very high	132 Å²	132	81.6 Å²	81.6	57%	0.574	40%	0.398	S	S	*	.	H	α-helix	trans	-57.4	-45.7	-177.6	177.3	-174	170.6	-170.7	0	110.9	D138 C139 E140	K136-D138 PolarHBondContact O-N 3.41Å; K136-C139 PolarHBondContact O-N 2.91Å; K136-E140 WeakPolarHBondContact CE-OE1 3.43Å; K136-E140 VanDerWaalsContact CE-OE2 3.28Å; K136-E140 WeakPolarHBondContact CE-OE2 3Å; K136-E140 HydrophobicContact CG-CG 4.26Å; K136-E140 IonicContact NZ-OE1 3.68Å; K136-E140 WeakPolarHBondContact O-CG 3.46Å; K136-E140 PolarHBondContact O-N 2.79Å
137	E	98.8	Very high	97.8	Very high	114 Å²	114	81.6 Å²	81.6	53%	0.533	39%	0.394	S	S	.	.	H	α-helix	trans	-66.9	-36.7	-174.4	-61	70	-152.4	0	0	112	C135 R141	C135-E137 VanDerWaalsContact C-N 3.28Å; C135-E137 PolarHBondContact O-N 2.78Å; E137-R141 WeakPolarHBondContact O-CB 3.38Å; E137-R141 PolarHBondContact O-N 3.15Å
138	D	98.8	Very high	98	Very high	90 Å²	90	85.2 Å²	85.2	48%	0.481	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-44	173.9	-68.8	-98.8	0	0	0	111	L134 C135 K136 W142	L134-D138 HydrophobicContact CD1-CB 3.85Å; L134-D138 HydrophobicContact CD2-CB 4.4Å; L134-D138 HydrophobicContact CG-CB 4.03Å; C135-D138 HydrophobicContact CB-CB 4.48Å; C135-D138 VanDerWaalsContact CB-OD2 3.28Å; C135-D138 WeakPolarHBondContact CB-OD2 3.16Å; C135-D138 PolarHBondContact O-N 3.05Å; K136-D138 PolarHBondContact O-N 3.41Å; D138-W142 WeakPolarHBondContact O-CB 3.44Å; D138-W142 PolarHBondContact O-N 3.13Å
139	C	98.8	Very high	98.3	Very high	69 Å²	69	82.8 Å²	82.8	47%	0.466	41%	0.409	S	S	.	.	H	α-helix	trans	-66.2	-49	178.1	-174	0	0	0	0	112.4	L134 C135 K136 R141 W142 W143	L134-C139 HydrophobicContact CD2-CB 3.94Å; C135-C139 PolarHBondContact O-N 3.38Å; K136-C139 PolarHBondContact O-N 2.91Å; C139-R141 PolarHBondContact O-N 2.04Å; C139-W142 PolarHBondContact O-N 3.49Å; C139-W143 PolarHBondContact O-N 3.13Å
140	E	98.8	Very high	98.4	Very high	106 Å²	106	87 Å²	87	50%	0.495	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-41.6	-178.9	-73.2	-179.7	159	0	0	111.7	K136 W143 E144	K136-E140 WeakPolarHBondContact CE-OE1 3.43Å; K136-E140 VanDerWaalsContact CE-OE2 3.28Å; K136-E140 WeakPolarHBondContact CE-OE2 3Å; K136-E140 HydrophobicContact CG-CG 4.26Å; K136-E140 IonicContact NZ-OE1 3.68Å; K136-E140 WeakPolarHBondContact O-CG 3.46Å; K136-E140 PolarHBondContact O-N 2.79Å; E140-W143 PolarHBondContact O-N 3.47Å; E140-E144 WeakPolarHBondContact O-CB 3.41Å; E140-E144 PolarHBondContact O-N 2.91Å
141	R	98.9	Very high	98.5	Very high	154 Å²	154	84.6 Å²	84.6	58%	0.581	41%	0.411	S	S	*	.	H	α-helix	trans	-68.8	-36.5	178.1	-172.6	172.7	-66.6	163.7	0.1	112.4	H99 E137 C139 D145	H99-R141 PolarHBondContact NE2-O 3.15Å; E137-R141 WeakPolarHBondContact O-CB 3.38Å; E137-R141 PolarHBondContact O-N 3.15Å; C139-R141 PolarHBondContact O-N 2.04Å; R141-D145 WeakPolarHBondContact O-CB 3.16Å; R141-D145 PolarHBondContact O-N 2.84Å
142	W	98.8	Very high	98.6	Very high	54 Å²	54	78.3 Å²	78.3	21%	0.205	38%	0.379	C	S	.	.	H	α-helix	trans	-60.7	-51.4	172.9	-179	3.1	0	0	0	110.6	H99 F100 D103 D138 C139 E144 D145 C146	H99-W142 HydrophobicContact CB-CB 4.09Å; H99-W142 HydrophobicContact CB-CD2 3.88Å; H99-W142 HydrophobicContact CB-CG 3.51Å; H99-W142 AromaticContact CD2-CD1 3.98Å; H99-W142 AromaticContact CG-CD1 3.73Å; H99-W142 AromaticContact CG-CG 3.79Å; F100-W142 AromaticContact CD1-CZ2 3.66Å; F100-W142 HydrophobicContact CD1-CZ2 3.66Å; F100-W142 AromaticContact CE1-CZ2 3.57Å; F100-W142 HydrophobicContact CE1-CZ2 3.57Å; F100-W142 HydrophobicContact CE2-CZ2 4.45Å; F100-W142 AromaticContact CE2-NE1 3.8Å; F100-W142 HydrophobicContact CG-CZ2 4.19Å; F100-W142 AromaticContact CZ-CZ2 3.99Å; F100-W142 HydrophobicContact CZ-CZ2 3.99Å; F100-W142 AromaticContact CZ-NE1 4Å; D103-W142 HydrophobicContact CB-CH2 3.86Å; D103-W142 HydrophobicContact CB-CZ3 4.13Å; D138-W142 WeakPolarHBondContact O-CB 3.44Å; D138-W142 PolarHBondContact O-N 3.13Å; C139-W142 PolarHBondContact O-N 3.49Å; W142-E144 VanDerWaalsContact C-N 3.3Å; W142-E144 PolarHBondContact O-N 3.49Å; W142-D145 PolarHBondContact O-N 2.69Å; W142-C146 VanDerWaalsContact CD1-SG 3.53Å; W142-C146 PolarHBondContact O-N 3.23Å
143	W	98.8	Very high	98.6	Very high	149 Å²	149	78 Å²	78	56%	0.564	37%	0.374	S	S	*	.	H	α-helix	trans	-57.5	-44.2	178.9	-175.9	82.1	0	0	0	112.1	C139 E140 C146 R147	C139-W143 PolarHBondContact O-N 3.13Å; E140-W143 PolarHBondContact O-N 3.47Å; W143-C146 PolarHBondContact O-N 2.89Å; W143-R147 PolarHBondContact O-N 3.21Å
144	E	98.8	Very high	98.6	Very high	78 Å²	78	80.3 Å²	80.3	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-49.6	178.9	-175	62.2	-164.5	0	0	113.1	E140 W142 C146 R147	E140-E144 WeakPolarHBondContact O-CB 3.41Å; E140-E144 PolarHBondContact O-N 2.91Å; W142-E144 VanDerWaalsContact C-N 3.3Å; W142-E144 PolarHBondContact O-N 3.49Å; E144-C146 PolarHBondContact O-N 2.92Å; E144-C146 VanDerWaalsContact O-N 3.13Å; E144-R147 VanDerWaalsContact O-CB 3.23Å; E144-R147 WeakPolarHBondContact O-CB 3.44Å; E144-R147 PolarHBondContact O-N 3.47Å; E144-R147 IonicContact OE1-CZ 2.84Å; E144-R147 IonicContact OE1-NE 3.51Å; E144-R147 IonicContact OE1-NH1 2.98Å; E144-R147 PolarHBondContact OE1-NH1 3.44Å; E144-R147 IonicContact OE1-NH2 2.8Å; E144-R147 PolarHBondContact OE1-NH2 3.32Å; E144-R147 IonicContact OE2-CZ 3.18Å; E144-R147 IonicContact OE2-NE 3.48Å; E144-R147 PolarHBondContact OE2-NE 3.4Å; E144-R147 IonicContact OE2-NH2 2.59Å; E144-R147 PolarHBondContact OE2-NH2 3.44Å
145	D	98.8	Very high	98.6	Very high	39 Å²	39	79.7 Å²	79.7	21%	0.209	39%	0.389	C	S	.	.	H	α-helix	trans	-66	-16.8	-178.3	-76	-13.5	0	0	0	112.2	T95 C96 R98 H99 R141 W142	T95-D145 PolarHBondContact OG1-O 3.32Å; C96-D145 WeakPolarHBondContact CB-O 3.41Å; C96-D145 PolarHBondContact N-O 3.26Å; R98-D145 IonicContact CZ-OD2 3.69Å; R98-D145 IonicContact NE-OD2 3.11Å; R98-D145 PolarHBondContact NE-OD2 3.05Å; R98-D145 IonicContact NH2-OD2 2.82Å; R98-D145 PolarHBondContact NH2-OD2 2.84Å; H99-D145 IonicContact CD2-OD2 3.75Å; H99-D145 IonicContact CE1-OD2 2.59Å; H99-D145 WeakPolarHBondContact NE2-CB 3.47Å; H99-D145 IonicContact NE2-OD2 3.52Å; H99-D145 PolarHBondContact NE2-OD2 3.19Å; R141-D145 WeakPolarHBondContact O-CB 3.16Å; R141-D145 PolarHBondContact O-N 2.84Å; W142-D145 PolarHBondContact O-N 2.69Å
146	C	98.8	Very high	98.5	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.9	175.5	-72.3	0	0	0	0	115	C96 W142 W143 E144 T148 S149 F178	C96-C146 WeakPolarHBondContact CA-SG 3.47Å; C96-C146 HydrophobicContact CB-CB 3.91Å; C96-C146 WeakPolarHBondContact CB-SG 3.08Å; C96-C146 VanDerWaalsContact SG-CA 3.51Å; C96-C146 WeakPolarHBondContact SG-CB 3.1Å; C96-C146 CovalentContact SG-SG 2.04Å; C96-C146 PolarHBondContact SG-SG 3.03Å; W142-C146 VanDerWaalsContact CD1-SG 3.53Å; W142-C146 PolarHBondContact O-N 3.23Å; W143-C146 PolarHBondContact O-N 2.89Å; E144-C146 PolarHBondContact O-N 2.92Å; E144-C146 VanDerWaalsContact O-N 3.13Å; C146-T148 PolarHBondContact O-N 3.49Å; C146-S149 WeakPolarHBondContact O-CB 3.49Å; C146-S149 PolarHBondContact O-N 3.48Å; C146-F178 HydrophobicContact CB-CB 4.36Å; C146-F178 HydrophobicContact CB-CD1 3.78Å; C146-F178 HydrophobicContact CB-CD2 4.34Å; C146-F178 HydrophobicContact CB-CE1 4.15Å; C146-F178 HydrophobicContact CB-CG 3.9Å; C146-F178 VanDerWaalsContact O-CB 3.24Å; C146-F178 WeakPolarHBondContact O-CB 3.36Å
147	R	98.4	Very high	98.2	Very high	133 Å²	133	78 Å²	78	50%	0.502	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-34.1	-174.7	-174.5	-169	-71.8	173.9	-10.2	114.5	W143 E144	W143-R147 PolarHBondContact O-N 3.21Å; E144-R147 VanDerWaalsContact O-CB 3.23Å; E144-R147 WeakPolarHBondContact O-CB 3.44Å; E144-R147 PolarHBondContact O-N 3.47Å; E144-R147 IonicContact OE1-CZ 2.84Å; E144-R147 IonicContact OE1-NE 3.51Å; E144-R147 IonicContact OE1-NH1 2.98Å; E144-R147 PolarHBondContact OE1-NH1 3.44Å; E144-R147 IonicContact OE1-NH2 2.8Å; E144-R147 PolarHBondContact OE1-NH2 3.32Å; E144-R147 IonicContact OE2-CZ 3.18Å; E144-R147 IonicContact OE2-NE 3.48Å; E144-R147 PolarHBondContact OE2-NE 3.4Å; E144-R147 IonicContact OE2-NH2 2.59Å; E144-R147 PolarHBondContact OE2-NH2 3.44Å
148	T	98.2	Very high	97.9	Very high	89 Å²	89	79.7 Å²	79.7	55%	0.546	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-1.2	-178.7	54.2	0	0	0	0	113.8	C146 Y150	C146-T148 PolarHBondContact O-N 3.49Å; T148-Y150 WeakPolarHBondContact O-CE2 3.44Å
149	S	98.6	Very high	97.8	Very high	2 Å²	2	77.9 Å²	77.9	1%	0.014	38%	0.382	C	S	.	.			trans	-85.5	171.4	170.9	-65.1	0	0	0	0	110.9	E93 C96 C146 F178	E93-S149 WeakPolarHBondContact CB-OG 3.43Å; E93-S149 PolarHBondContact N-OG 2.83Å; E93-S149 VanDerWaalsContact N-OG 3.13Å; C96-S149 WeakPolarHBondContact CB-OG 3.21Å; C146-S149 WeakPolarHBondContact O-CB 3.49Å; C146-S149 PolarHBondContact O-N 3.48Å; S149-F178 PolarHBondContact O-N 2.89Å
150	Y	98.6	Very high	97.7	Very high	119 Å²	119	75.4 Å²	75.4	47%	0.467	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.9	-175.5	-64.2	-99.6	0	0	0	111.2	T148 S176 T177	T148-Y150 WeakPolarHBondContact O-CE2 3.44Å; Y150-S176 CarbonylContact C-O 3.27Å; Y150-S176 WeakPolarHBondContact CA-O 3.31Å; Y150-S176 WeakPolarHBondContact CB-O 3.36Å; Y150-S176 WeakPolarHBondContact CD1-O 3.25Å; Y150-T177 HydrophobicContact CD1-CG2 4.39Å; Y150-T177 HydrophobicContact CE1-CG2 3.88Å
151	T	98.6	Very high	97.7	Very high	13 Å²	13	73 Å²	73	8%	0.08	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	164.6	170	-168.1	0	0	0	0	111.1	H88 K153 W156 S176 F178	H88-T151 PolarHBondContact NE2-OG1 2.91Å; T151-K153 PolarHBondContact OG1-N 3.47Å; T151-K153 PolarHBondContact OG1-O 3.17Å; T151-W156 HydrophobicContact CG2-CZ2 4.43Å; T151-W156 WeakPolarHBondContact OG1-CZ2 3.34Å; T151-W156 PolarHBondContact OG1-NE1 3.08Å; T151-S176 PolarHBondContact N-O 3.3Å; T151-S176 PolarHBondContact O-N 3.19Å; T151-S176 VanDerWaalsContact O-O 3.09Å; T151-F178 HydrophobicContact CG2-CD2 4.23Å
152	C	98.6	Very high	97.5	Very high	19 Å²	19	71.2 Å²	71.2	13%	0.128	35%	0.346	C	S	.	.	S	Bend	trans	-111.9	1.4	175.4	57.6	0	0	0	0	112.6	C89 C169 A173 L174	C89-C152 PolarHBondContact SG-N 2.03Å; C89-C152 VanDerWaalsContact SG-N 3.43Å; C152-C169 HydrophobicContact CB-CB 3.85Å; C152-C169 WeakPolarHBondContact CB-SG 3.46Å; C152-C169 VanDerWaalsContact SG-CA 3.53Å; C152-C169 WeakPolarHBondContact SG-CB 3.42Å; C152-C169 CovalentContact SG-SG 2.03Å; C152-C169 PolarHBondContact SG-SG 2.82Å; C152-A173 HydrophobicContact CB-CB 4.06Å; C152-L174 WeakPolarHBondContact CA-O 3.46Å
153	K	98.3	Very high	97.4	Very high	39 Å²	39	74.8 Å²	74.8	17%	0.17	37%	0.374	C	S	.	.			trans	-146.6	142.5	-173.5	-67.3	171.7	59.4	67	0	111.6	T151 N155 W156 K158 G159 W160 P170	T151-K153 PolarHBondContact OG1-N 3.47Å; T151-K153 PolarHBondContact OG1-O 3.17Å; K153-N155 WeakPolarHBondContact CE-O 3.49Å; K153-W156 PolarHBondContact O-NE1 3.45Å; K153-K158 VanDerWaalsContact CE-O 3.23Å; K153-K158 WeakPolarHBondContact CE-O 3Å; K153-K158 PolarHBondContact NZ-O 3.1Å; K153-G159 WeakPolarHBondContact CE-O 3.46Å; K153-G159 PolarHBondContact NZ-O 3.07Å; K153-W160 HydrophobicContact CD-CD2 3.75Å; K153-W160 HydrophobicContact CD-CE3 3.66Å; K153-W160 HydrophobicContact CD-CG 4.48Å; K153-W160 HydrophobicContact CD-CH2 3.92Å; K153-W160 HydrophobicContact CD-CZ2 4.02Å; K153-W160 HydrophobicContact CD-CZ3 3.75Å; K153-P170 HydrophobicContact CD-CG 4.45Å
154	S	97.8	Very high	97.2	Very high	134 Å²	134	71 Å²	71	94%	0.937	37%	0.371	S	S	*	.	S	Bend	trans	-90.3	-13.9	169.6	57	0	0	0	0	113.8
155	N	97.5	Very high	96.9	Very high	67 Å²	67	69.1 Å²	69.1	36%	0.358	37%	0.373	S	S	.	.			trans	-122.4	104.7	175.4	-174.4	-26.4	0	0	0	110.3	K153 H157	K153-N155 WeakPolarHBondContact CE-O 3.49Å; N155-H157 WeakPolarHBondContact OD1-CB 3.31Å; N155-H157 PolarHBondContact OD1-N 3.44Å
156	W	96.8	Very high	96.7	Very high	41 Å²	41	69.7 Å²	69.7	16%	0.155	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.9	-176.7	-69.8	19.2	0	0	0	113.8	F84 W86 H88 M92 F100 T151 K153 W160 F178	F84-W156 AromaticContact CE1-CE3 3.76Å; F84-W156 HydrophobicContact CE1-CE3 3.76Å; F84-W156 AromaticContact CE1-CZ3 3.97Å; F84-W156 HydrophobicContact CE1-CZ3 3.97Å; F84-W156 HydrophobicContact CZ-CB 4.33Å; F84-W156 HydrophobicContact CZ-CD2 4.13Å; F84-W156 AromaticContact CZ-CE3 3.55Å; F84-W156 HydrophobicContact CZ-CE3 3.55Å; F84-W156 HydrophobicContact CZ-CG 4.49Å; F84-W156 HydrophobicContact CZ-CZ3 4.21Å; W86-W156 HydrophobicContact CE3-CE3 4.47Å; W86-W156 AromaticContact CE3-CZ3 3.75Å; W86-W156 HydrophobicContact CE3-CZ3 3.75Å; W86-W156 HydrophobicContact CZ3-CE3 4.07Å; W86-W156 AromaticContact CZ3-CZ3 3.72Å; W86-W156 HydrophobicContact CZ3-CZ3 3.72Å; H88-W156 AromaticContact CE1-CE2 3.94Å; H88-W156 AromaticContact CE1-CH2 3.48Å; H88-W156 VanDerWaalsContact CE1-CH2 3.48Å; H88-W156 WeakPolarHBondContact CE1-CH2 3.46Å; H88-W156 AromaticContact CE1-CZ2 3.42Å; H88-W156 VanDerWaalsContact CE1-CZ2 3.42Å; H88-W156 WeakPolarHBondContact CE1-CZ2 3.23Å; H88-W156 AromaticContact NE2-CZ2 3.72Å; M92-W156 HydrophobicContact CE-CH2 3.77Å; M92-W156 HydrophobicContact CE-CZ3 4.31Å; F100-W156 HydrophobicContact CD1-CZ3 4.08Å; F100-W156 AromaticContact CE1-CE3 3.75Å; F100-W156 HydrophobicContact CE1-CE3 3.75Å; F100-W156 AromaticContact CE1-CH2 3.91Å; F100-W156 HydrophobicContact CE1-CH2 3.91Å; F100-W156 AromaticContact CE1-CZ3 3.26Å; F100-W156 HydrophobicContact CE1-CZ3 3.26Å; F100-W156 HydrophobicContact CE2-CH2 4.02Å; F100-W156 HydrophobicContact CE2-CZ3 4.06Å; F100-W156 HydrophobicContact CZ-CE3 4.09Å; F100-W156 AromaticContact CZ-CH2 3.37Å; F100-W156 HydrophobicContact CZ-CH2 3.37Å; F100-W156 HydrophobicContact CZ-CZ2 4.3Å; F100-W156 AromaticContact CZ-CZ3 3.24Å; F100-W156 HydrophobicContact CZ-CZ3 3.24Å; T151-W156 HydrophobicContact CG2-CZ2 4.43Å; T151-W156 WeakPolarHBondContact OG1-CZ2 3.34Å; T151-W156 PolarHBondContact OG1-NE1 3.08Å; K153-W156 PolarHBondContact O-NE1 3.45Å; W156-W160 HydrophobicContact CB-CZ2 3.92Å; W156-W160 AromaticContact CD1-CZ2 3.75Å; W156-W160 HydrophobicContact CD2-CH2 4.48Å; W156-W160 AromaticContact CD2-CZ2 3.97Å; W156-W160 HydrophobicContact CD2-CZ2 3.97Å; W156-W160 HydrophobicContact CG-CH2 4.42Å; W156-W160 AromaticContact CG-CZ2 3.61Å; W156-W160 HydrophobicContact CG-CZ2 3.61Å; W156-W160 PolarHBondContact O-NE1 3.42Å; W156-F178 AromaticContact CH2-CE2 3.65Å; W156-F178 HydrophobicContact CH2-CE2 3.65Å; W156-F178 HydrophobicContact CH2-CZ 4.3Å; W156-F178 HydrophobicContact CZ2-CD2 4.41Å; W156-F178 AromaticContact CZ2-CE2 3.5Å; W156-F178 HydrophobicContact CZ2-CE2 3.5Å; W156-F178 VanDerWaalsContact CZ2-CE2 3.5Å; W156-F178 HydrophobicContact CZ2-CZ 4.13Å
157	H	92.7	Very high	96.6	Very high	130 Å²	130	69.7 Å²	69.7	60%	0.602	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-17.7	177.3	-70.7	165.6	0	0	0	114.1	N155	N155-H157 WeakPolarHBondContact OD1-CB 3.31Å; N155-H157 PolarHBondContact OD1-N 3.44Å
158	K	93.3	Very high	96.5	Very high	149 Å²	149	66.9 Å²	66.9	65%	0.648	37%	0.368	S	S	*	.	S	Bend	trans	-155	158.8	-174.1	62.8	179.2	-178.6	175.8	0	113.6	K153	K153-K158 VanDerWaalsContact CE-O 3.23Å; K153-K158 WeakPolarHBondContact CE-O 3Å; K153-K158 PolarHBondContact NZ-O 3.1Å
159	G	95.9	Very high	96.5	Very high	51 Å²	51	64 Å²	64	53%	0.526	35%	0.351	S	S	.	.			trans	73.2	35.4	173.7	0	0	0	0	0	113.5	K153 P170	K153-G159 WeakPolarHBondContact CE-O 3.46Å; K153-G159 PolarHBondContact NZ-O 3.07Å; G159-P170 WeakPolarHBondContact O-CG 3.39Å
160	W	97.4	Very high	96.5	Very high	18 Å²	18	65.8 Å²	65.8	7%	0.068	36%	0.363	C	S	.	.			trans	-87	155.9	164.3	-65.4	105.5	0	0	0	109.8	F84 H88 K153 W156 W162 N167	F84-W160 AromaticContact CE2-CE2 3.97Å; F84-W160 HydrophobicContact CE2-CZ2 4.1Å; F84-W160 AromaticContact CE2-NE1 3.73Å; F84-W160 HydrophobicContact CZ-CH2 4.45Å; F84-W160 AromaticContact CZ-CZ2 3.73Å; F84-W160 HydrophobicContact CZ-CZ2 3.73Å; H88-W160 HydrophobicContact CB-CZ3 4.16Å; H88-W160 AromaticContact CD2-CH2 3.66Å; H88-W160 AromaticContact CD2-CZ3 3.74Å; H88-W160 AromaticContact CE1-CH2 3.73Å; H88-W160 AromaticContact CG-CH2 3.77Å; H88-W160 AromaticContact CG-CZ3 3.76Å; H88-W160 AromaticContact ND1-CH2 3.8Å; H88-W160 AromaticContact NE2-CH2 3.62Å; K153-W160 HydrophobicContact CD-CD2 3.75Å; K153-W160 HydrophobicContact CD-CE3 3.66Å; K153-W160 HydrophobicContact CD-CG 4.48Å; K153-W160 HydrophobicContact CD-CH2 3.92Å; K153-W160 HydrophobicContact CD-CZ2 4.02Å; K153-W160 HydrophobicContact CD-CZ3 3.75Å; W156-W160 HydrophobicContact CB-CZ2 3.92Å; W156-W160 AromaticContact CD1-CZ2 3.75Å; W156-W160 HydrophobicContact CD2-CH2 4.48Å; W156-W160 AromaticContact CD2-CZ2 3.97Å; W156-W160 HydrophobicContact CD2-CZ2 3.97Å; W156-W160 HydrophobicContact CG-CH2 4.42Å; W156-W160 AromaticContact CG-CZ2 3.61Å; W156-W160 HydrophobicContact CG-CZ2 3.61Å; W156-W160 PolarHBondContact O-NE1 3.42Å; W160-W162 HydrophobicContact CB-CZ2 4.33Å; W160-W162 HydrophobicContact CG-CZ2 4.48Å; W160-N167 HydrophobicContact CB-CB 3.74Å; W160-N167 HydrophobicContact CD2-CB 3.69Å; W160-N167 HydrophobicContact CE3-CB 3.86Å; W160-N167 HydrophobicContact CG-CB 3.64Å
161	N	97.7	Very high	96.4	Very high	55 Å²	55	65.3 Å²	65.3	29%	0.294	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-82.5	127.4	162.6	179.6	8.1	0	0	0	108.7	T163 N167 E168	N161-T163 WeakPolarHBondContact OD1-CB 3.03Å; N161-T163 PolarHBondContact OD1-N 3.04Å; N161-T163 PolarHBondContact OD1-OG1 3.41Å; N161-N167 CarbonylContact O-C 3.59Å; N161-N167 WeakPolarHBondContact O-CA 3.49Å; N161-E168 HydrophobicContact CB-CB 4.22Å; N161-E168 PolarHBondContact N-O 3.1Å; N161-E168 PolarHBondContact O-N 3.32Å
162	W	95.8	Very high	96.3	Very high	116 Å²	116	68.5 Å²	68.5	44%	0.439	42%	0.419	S	S	.	.			trans	-116.3	11.9	-178.4	-66.8	97.1	0	0	0	113.1	N83 F84 W160 S164 G165 I166 N167	N83-W162 HydrophobicContact CB-CZ3 4.35Å; N83-W162 WeakPolarHBondContact O-CZ3 3.42Å; F84-W162 HydrophobicContact CD2-CH2 4.39Å; W160-W162 HydrophobicContact CB-CZ2 4.33Å; W160-W162 HydrophobicContact CG-CZ2 4.48Å; W162-S164 PolarHBondContact O-N 3.13Å; W162-G165 PolarHBondContact O-N 3.33Å; W162-I166 VanDerWaalsContact CE3-C 3.45Å; W162-N167 HydrophobicContact CD2-CB 4.34Å; W162-N167 HydrophobicContact CE3-CB 4.2Å; W162-N167 HydrophobicContact CH2-CB 3.72Å; W162-N167 HydrophobicContact CZ2-CB 3.86Å; W162-N167 HydrophobicContact CZ3-CB 3.91Å
163	T	96.8	Very high	96.3	Very high	129 Å²	129	69 Å²	69	79%	0.791	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.1	-171.9	-54.7	0	0	0	0	112.9	N161 G165	N161-T163 WeakPolarHBondContact OD1-CB 3.03Å; N161-T163 PolarHBondContact OD1-N 3.04Å; N161-T163 PolarHBondContact OD1-OG1 3.41Å; T163-G165 VanDerWaalsContact C-N 3.34Å
164	S	94.1	Very high	96.2	Very high	70 Å²	70	74 Å²	74	49%	0.49	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2	176.5	60.4	0	0	0	0	114.4	W162 E168	W162-S164 PolarHBondContact O-N 3.13Å; S164-E168 VanDerWaalsContact CB-OE1 3.25Å; S164-E168 WeakPolarHBondContact CB-OE1 3.4Å; S164-E168 PolarHBondContact OG-OE1 2.94Å
165	G	92.8	Very high	96.3	Very high	39 Å²	39	70.7 Å²	70.7	40%	0.402	43%	0.428	S	S	.	.	S	Bend	trans	91.5	-9.9	-176.9	0	0	0	0	0	115.1	N83 W162 T163	N83-G165 WeakPolarHBondContact CB-O 3.46Å; W162-G165 PolarHBondContact O-N 3.33Å; T163-G165 VanDerWaalsContact C-N 3.34Å
166	I	94.4	Very high	96.3	Very high	51 Å²	51	70.8 Å²	70.8	26%	0.262	43%	0.434	S	S	.	.	S	Bend	trans	-120.9	164.7	170.7	59.4	172.3	0	0	0	109.8	N83 N85 W162	N83-I166 HydrophobicContact CB-CG2 4.43Å; N83-I166 WeakPolarHBondContact O-CA 3.35Å; N85-I166 HydrophobicContact CB-CB 4.44Å; N85-I166 HydrophobicContact CB-CD1 4.23Å; W162-I166 VanDerWaalsContact CE3-C 3.45Å
167	N	95.6	Very high	96.4	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	45%	0.453	C	S	.	.			trans	-74.6	131.9	175.6	60.5	-70.4	0	0	0	112.2	F84 N85 W160 N161 W162	F84-N167 WeakPolarHBondContact CA-OD1 3.34Å; F84-N167 WeakPolarHBondContact CD2-OD1 3.42Å; F84-N167 WeakPolarHBondContact CG-OD1 3.3Å; N85-N167 PolarHBondContact N-OD1 3.03Å; N85-N167 PolarHBondContact O-ND2 3.38Å; W160-N167 HydrophobicContact CB-CB 3.74Å; W160-N167 HydrophobicContact CD2-CB 3.69Å; W160-N167 HydrophobicContact CE3-CB 3.86Å; W160-N167 HydrophobicContact CG-CB 3.64Å; N161-N167 CarbonylContact O-C 3.59Å; N161-N167 WeakPolarHBondContact O-CA 3.49Å; W162-N167 HydrophobicContact CD2-CB 4.34Å; W162-N167 HydrophobicContact CE3-CB 4.2Å; W162-N167 HydrophobicContact CH2-CB 3.72Å; W162-N167 HydrophobicContact CZ2-CB 3.86Å; W162-N167 HydrophobicContact CZ3-CB 3.91Å
168	E	97.2	Very high	96.6	Very high	73 Å²	73	70.9 Å²	70.9	34%	0.341	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-127.1	154.3	173.8	-67.4	173.6	177.9	0	0	110.3	N161 S164	N161-E168 HydrophobicContact CB-CB 4.22Å; N161-E168 PolarHBondContact N-O 3.1Å; N161-E168 PolarHBondContact O-N 3.32Å; S164-E168 VanDerWaalsContact CB-OE1 3.25Å; S164-E168 WeakPolarHBondContact CB-OE1 3.4Å; S164-E168 PolarHBondContact OG-OE1 2.94Å
169	C	98.3	Very high	96.8	Very high	30 Å²	30	67 Å²	67	20%	0.203	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-56.4	127.9	173.5	-65.7	0	0	0	0	110.2	C89 C152	C89-C169 VanDerWaalsContact SG-SG 3.65Å; C152-C169 HydrophobicContact CB-CB 3.85Å; C152-C169 WeakPolarHBondContact CB-SG 3.46Å; C152-C169 VanDerWaalsContact SG-CA 3.53Å; C152-C169 WeakPolarHBondContact SG-CB 3.42Å; C152-C169 CovalentContact SG-SG 2.03Å; C152-C169 PolarHBondContact SG-SG 2.82Å
170	P	98.1	Very high	96.8	Very high	39 Å²	39	67.8 Å²	67.8	25%	0.253	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-67.1	160.7	176.7	30.7	-36.4	0	0	0	110.5	K153 G159 G172 A173	K153-P170 HydrophobicContact CD-CG 4.45Å; G159-P170 WeakPolarHBondContact O-CG 3.39Å; P170-G172 PolarHBondContact O-N 2.73Å; P170-A173 HydrophobicContact CG-CB 3.78Å; P170-A173 WeakPolarHBondContact O-CB 3.49Å; P170-A173 PolarHBondContact O-N 2.93Å
171	A	97	Very high	96.8	Very high	109 Å²	109	70.6 Å²	70.6	90%	0.901	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	132.2	179.2	0	0	0	0	0	111.7	A173	A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 3.06Å
172	G	96	Very high	96.7	Very high	80 Å²	80	71.5 Å²	71.5	83%	0.825	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-6.3	-179.1	0	0	0	0	0	115.6	P170 L174	P170-G172 PolarHBondContact O-N 2.73Å; G172-L174 PolarHBondContact O-N 2.63Å
173	A	98.1	Very high	96.8	Very high	29 Å²	29	68.7 Å²	68.7	24%	0.24	46%	0.456	C	S	.	.			trans	-82.8	104.2	173.3	0	0	0	0	0	110.4	C152 P170 A171	C152-A173 HydrophobicContact CB-CB 4.06Å; P170-A173 HydrophobicContact CG-CB 3.78Å; P170-A173 WeakPolarHBondContact O-CB 3.49Å; P170-A173 PolarHBondContact O-N 2.93Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 3.06Å
174	L	98	Very high	96.8	Very high	144 Å²	144	64.7 Å²	64.7	75%	0.754	43%	0.433	S	S	*	.			trans	-78.1	139.6	-179.9	-61.4	174.9	0	0	0	111	C152 G172	C152-L174 WeakPolarHBondContact CA-O 3.46Å; G172-L174 PolarHBondContact O-N 2.63Å
175	C	98.6	Very high	97	Very high	65 Å²	65	64.3 Å²	64.3	44%	0.439	43%	0.429	S	S	.	.			trans	-69.3	133.9	169.8	-68.5	0	0	0	0	110.2	C89	C89-C175 WeakPolarHBondContact CA-SG 3.27Å; C89-C175 HydrophobicContact CB-CB 3.72Å; C89-C175 WeakPolarHBondContact CB-SG 3.42Å; C89-C175 VanDerWaalsContact SG-CA 3.58Å; C89-C175 WeakPolarHBondContact SG-CB 3.47Å; C89-C175 CovalentContact SG-SG 2.04Å; C89-C175 PolarHBondContact SG-SG 3.2Å
176	S	98.3	Very high	97.3	Very high	68 Å²	68	66.2 Å²	66.2	48%	0.476	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	166.6	178.2	-65.1	0	0	0	0	108.9	Y150 T151	Y150-S176 CarbonylContact C-O 3.27Å; Y150-S176 WeakPolarHBondContact CA-O 3.31Å; Y150-S176 WeakPolarHBondContact CB-O 3.36Å; Y150-S176 WeakPolarHBondContact CD1-O 3.25Å; T151-S176 PolarHBondContact N-O 3.3Å; T151-S176 PolarHBondContact O-N 3.19Å; T151-S176 VanDerWaalsContact O-O 3.09Å
177	T	98	Very high	97.6	Very high	90 Å²	90	67.5 Å²	67.5	55%	0.552	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	146.2	173.2	52.1	0	0	0	0	110.2	Y150	Y150-T177 HydrophobicContact CD1-CG2 4.39Å; Y150-T177 HydrophobicContact CE1-CG2 3.88Å
178	F	97.5	Very high	97.7	Very high	83 Å²	83	73.6 Å²	73.6	36%	0.364	49%	0.486	S	S	.	.			trans	-55.3	0	-178.1	-154.7	-84.9	0	0	0	113.7	F100 C146 S149 T151 W156	F100-F178 HydrophobicContact CE2-CE2 4.15Å; F100-F178 HydrophobicContact CE2-CZ 4.2Å; F100-F178 AromaticContact CZ-CE2 3.87Å; F100-F178 HydrophobicContact CZ-CE2 3.87Å; F100-F178 AromaticContact CZ-CZ 3.68Å; F100-F178 HydrophobicContact CZ-CZ 3.68Å; C146-F178 HydrophobicContact CB-CB 4.36Å; C146-F178 HydrophobicContact CB-CD1 3.78Å; C146-F178 HydrophobicContact CB-CD2 4.34Å; C146-F178 HydrophobicContact CB-CE1 4.15Å; C146-F178 HydrophobicContact CB-CG 3.9Å; C146-F178 VanDerWaalsContact O-CB 3.24Å; C146-F178 WeakPolarHBondContact O-CB 3.36Å; S149-F178 PolarHBondContact O-N 2.89Å; T151-F178 HydrophobicContact CG2-CD2 4.23Å; W156-F178 AromaticContact CH2-CE2 3.65Å; W156-F178 HydrophobicContact CH2-CE2 3.65Å; W156-F178 HydrophobicContact CH2-CZ 4.3Å; W156-F178 HydrophobicContact CZ2-CD2 4.41Å; W156-F178 AromaticContact CZ2-CE2 3.5Å; W156-F178 HydrophobicContact CZ2-CE2 3.5Å; W156-F178 VanDerWaalsContact CZ2-CE2 3.5Å; W156-F178 HydrophobicContact CZ2-CZ 4.13Å

Retrieved 178 of 178 residues in 1396.9 ms (Link to these results)

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