A0A077YZU3_TRITR Loading...

Exosome complex exonuclease MTR3

AlphaFold DB , UniProt , Accession A0A077YZU3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 255 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	38	Very low	244 Å²	244	154.9 Å²	154.9	100%	1.202	82%	0.816	S	S	*	*				0	93.4	0	-69.5	-171.6	-160.3	0	0	105.8
2	E	38.3	Very low	38.9	Very low	188 Å²	188	152.6 Å²	152.6	88%	0.879	80%	0.804	S	S	*	*			trans	-84.6	126.7	-159	-70.7	172.2	162.1	0	0	112	L4	E2-L4 PolarHBondContact O-N 3.41Å
3	T	37.2	Very low	39.2	Very low	116 Å²	116	152.5 Å²	152.5	71%	0.712	80%	0.797	S	S	*	*			trans	-69.1	114.1	172	40.4	0	0	0	0	109.8	E5	T3-E5 VanDerWaalsContact C-N 3.28Å; T3-E5 PolarHBondContact O-N 2.82Å
4	L	42.6	Very low	39.4	Very low	183 Å²	183	154.1 Å²	154.1	96%	0.958	80%	0.795	S	S	*	*			trans	-77.2	83.1	171.2	-74.8	164.4	0	0	0	109.4	E2	E2-L4 PolarHBondContact O-N 3.41Å
5	E	39.2	Very low	39.2	Very low	168 Å²	168	154.5 Å²	154.5	79%	0.785	79%	0.792	S	S	*	*			trans	-66.3	150.6	167.2	-73.9	-179.4	146.6	0	0	111.3	T3	T3-E5 VanDerWaalsContact C-N 3.28Å; T3-E5 PolarHBondContact O-N 2.82Å
6	G	36.6	Very low	38.9	Very low	71 Å²	71	151.3 Å²	151.3	73%	0.732	79%	0.787	S	S	*	*			trans	-56.2	137.8	-167.3	0	0	0	0	0	115	T8	G6-T8 PolarHBondContact O-N 2.82Å; G6-T8 VanDerWaalsContact O-N 3.13Å
7	K	34.4	Very low	38.8	Very low	210 Å²	210	153.2 Å²	153.2	91%	0.913	79%	0.788	S	S	*	*			trans	-67.2	105.8	171.8	-68.5	178.9	176.7	178.9	0	109.8
8	T	35.8	Very low	38.5	Very low	137 Å²	137	151.3 Å²	151.3	84%	0.84	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.8	129.6	161.6	42.8	0	0	0	0	108.9	G6	G6-T8 PolarHBondContact O-N 2.82Å; G6-T8 VanDerWaalsContact O-N 3.13Å
9	V	38.6	Very low	38.1	Very low	101 Å²	101	153.1 Å²	153.1	61%	0.612	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-93.1	130.8	171.2	-172.7	0	0	0	0	107.5
10	P	34.6	Very low	37.8	Very low	84 Å²	84	152.8 Å²	152.8	55%	0.545	79%	0.794	S	S	.	*	P	Polyproline II helix	trans	-60.8	138.7	-179	21.4	-30.6	0	0	0	112.1	D12 Q13	P10-D12 PolarHBondContact O-N 3.46Å; P10-Q13 PolarHBondContact O-N 3.28Å
11	Y	42.1	Very low	37.3	Very low	202 Å²	202	150.4 Å²	150.4	79%	0.792	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-59	-21.9	-172.3	-156.7	-96.3	0	0	0	113.5	Q13 F14	Y11-Q13 PolarHBondContact O-N 3.38Å; Y11-F14 PolarHBondContact O-N 2.66Å
12	D	48.5	Very low	36.7	Very low	127 Å²	127	144 Å²	144	68%	0.679	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-74.4	-7.5	-174.1	-54.3	-21.5	0	0	0	113.6	P10	P10-D12 PolarHBondContact O-N 3.46Å
13	Q	42.5	Very low	36.1	Very low	152 Å²	152	145.4 Å²	145.4	71%	0.71	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-88.2	-0.9	173.6	-70.6	-172.9	-11.1	0	0	114.1	P10 Y11 E15	P10-Q13 PolarHBondContact O-N 3.28Å; Y11-Q13 PolarHBondContact O-N 3.38Å; Q13-E15 VanDerWaalsContact C-N 3.28Å
14	F	42.7	Very low	35.7	Very low	175 Å²	175	147.6 Å²	147.6	77%	0.768	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-86.5	8.8	171.5	-89.7	-87	0	0	0	113.5	Y11 S16	Y11-F14 PolarHBondContact O-N 2.66Å; F14-S16 PolarHBondContact O-N 2.83Å
15	E	35.5	Very low	35	Very low	160 Å²	160	145.3 Å²	145.3	75%	0.748	76%	0.761	S	S	*	*			trans	-73.1	73.2	172.4	-70.4	-166.4	163.8	0	0	112.2	Q13	Q13-E15 VanDerWaalsContact C-N 3.28Å
16	S	35.5	Very low	34.8	Very low	103 Å²	103	142.3 Å²	142.3	72%	0.72	76%	0.757	S	S	*	*			trans	-138	95.9	143.7	57.5	0	0	0	0	107.3	F14	F14-S16 PolarHBondContact O-N 2.83Å
17	F	35.8	Very low	34.9	Very low	184 Å²	184	142.5 Å²	142.5	81%	0.807	74%	0.737	S	S	*	*			trans	-47.5	125.3	172.3	-69.8	-92.6	0	0	0	109.3	K19	F17-K19 PolarHBondContact O-N 3.1Å; F17-K19 VanDerWaalsContact O-N 3.11Å
18	P	34.9	Very low	35.4	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	70%	0.699	S	S	*	*			trans	-63.7	119.3	153.1	28.2	-26.5	0	0	0	104.8	T20	P18-T20 PolarHBondContact O-N 2.98Å
19	K	31	Very low	35.8	Very low	186 Å²	186	135.2 Å²	135.2	81%	0.809	69%	0.691	S	S	*	*			trans	-40.7	128.5	170.8	-69.5	176.2	178.1	177.2	0	108.2	F17 C21	F17-K19 PolarHBondContact O-N 3.1Å; F17-K19 VanDerWaalsContact O-N 3.11Å; K19-C21 VanDerWaalsContact C-N 3.32Å; K19-C21 PolarHBondContact O-N 2.66Å
20	T	31.2	Very low	36.2	Very low	147 Å²	147	131.9 Å²	131.9	90%	0.902	67%	0.669	S	S	*	*			trans	-57.5	98	169.8	37.7	0	0	0	0	108.1	P18	P18-T20 PolarHBondContact O-N 2.98Å
21	C	27.1	Very low	36.8	Very low	103 Å²	103	132 Å²	132	70%	0.696	67%	0.665	S	S	*	*			trans	-80.2	130.9	172.5	-71.6	0	0	0	0	108.5	K19 W23	K19-C21 VanDerWaalsContact C-N 3.32Å; K19-C21 PolarHBondContact O-N 2.66Å; C21-W23 PolarHBondContact O-N 2.85Å
22	S	26	Very low	37	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	67%	0.667	S	S	*	*	S	Bend	trans	-76.5	33.9	-174.7	58.9	0	0	0	0	114.5
23	W	27	Very low	37.2	Very low	216 Å²	216	131.3 Å²	131.3	82%	0.818	67%	0.671	S	S	*	*			trans	-136.2	93.3	-177.9	-63.7	93.7	0	0	0	109.8	C21	C21-W23 PolarHBondContact O-N 2.85Å
24	N	27.8	Very low	38.2	Very low	162 Å²	162	126.3 Å²	126.3	87%	0.866	65%	0.647	S	S	*	*			trans	-88.2	130.4	159	-81.7	-29.9	0	0	0	107.8
25	L	28.7	Very low	39.6	Very low	136 Å²	136	122.6 Å²	122.6	71%	0.712	63%	0.632	S	S	*	*			trans	92.7	141.5	-173.7	-54.7	172.8	0	0	0	114.9	F27	L25-F27 HydrophobicContact CD2-CD2 4.42Å; L25-F27 HydrophobicContact CD2-CE2 3.72Å; L25-F27 HydrophobicContact CD2-CZ 4.05Å
26	P	35.3	Very low	41.8	Very low	105 Å²	105	117.6 Å²	117.6	68%	0.682	61%	0.608	S	S	*	*			cis	-132.7	154.6	14.9	35.9	-15.8	0	0	0	117
27	F	37.8	Very low	44.3	Very low	74 Å²	74	116.6 Å²	116.6	33%	0.325	59%	0.591	S	S	.	*			trans	-0.3	152.8	154.9	-51.9	-83.1	0	0	0	121.3	L25 T189	L25-F27 HydrophobicContact CD2-CD2 4.42Å; L25-F27 HydrophobicContact CD2-CE2 3.72Å; L25-F27 HydrophobicContact CD2-CZ 4.05Å; F27-T189 HydrophobicContact CB-CG2 3.79Å; F27-T189 HydrophobicContact CD2-CG2 3.55Å; F27-T189 HydrophobicContact CE2-CG2 4.35Å; F27-T189 HydrophobicContact CG-CG2 3.87Å
28	P	46	Very low	46.8	Very low	17 Å²	17	108.1 Å²	108.1	11%	0.11	55%	0.554	C	S	.	*			trans	-80	148.8	-153.8	36.9	-40.2	0	0	0	114.9	N149 T177	P28-N149 WeakPolarHBondContact CB-OD1 3.47Å; P28-N149 WeakPolarHBondContact CD-OD1 3.34Å; P28-N149 WeakPolarHBondContact CG-OD1 3.4Å; P28-T177 HydrophobicContact CB-CG2 4.48Å; P28-T177 HydrophobicContact CG-CG2 3.05Å
29	R	43.5	Very low	49.4	Very low	178 Å²	178	107.6 Å²	107.6	67%	0.672	54%	0.54	S	S	*	.			trans	-87.5	115.2	173.6	-57.7	172.7	-176.2	158.9	-1.3	109.2	D31 Q34	R29-D31 HydrophobicContact CB-CB 4.37Å; R29-D31 WeakPolarHBondContact CB-OD2 3.46Å; R29-D31 WeakPolarHBondContact CD-OD2 3.44Å; R29-D31 PolarHBondContact O-N 3.08Å; R29-Q34 WeakPolarHBondContact O-CG 3.46Å; R29-Q34 PolarHBondContact O-NE2 3.16Å; R29-Q34 PolarHBondContact O-OE1 3.14Å; R29-Q34 VanDerWaalsContact O-OE1 3.08Å
30	L	45.9	Very low	52.2	Low	31 Å²	31	99.1 Å²	99.1	16%	0.162	50%	0.504	C	S	.	.			trans	-73.1	63.1	164	-106.9	147.1	0	0	0	109.8	L222 T225 L230	L30-L222 HydrophobicContact CD1-CD1 3.72Å; L30-T225 HydrophobicContact CB-CG2 4.06Å; L30-T225 HydrophobicContact CD2-CG2 3.55Å; L30-T225 HydrophobicContact CG-CG2 4.34Å; L30-L230 HydrophobicContact CD2-CD1 4.42Å
31	D	47.4	Very low	55	Low	85 Å²	85	94.3 Å²	94.3	46%	0.455	47%	0.473	S	S	.	.			trans	-89.6	149	170.6	-70.5	-25.7	0	0	0	109	R29 T33 Q34	R29-D31 HydrophobicContact CB-CB 4.37Å; R29-D31 WeakPolarHBondContact CB-OD2 3.46Å; R29-D31 WeakPolarHBondContact CD-OD2 3.44Å; R29-D31 PolarHBondContact O-N 3.08Å; D31-T33 PolarHBondContact O-N 3.01Å; D31-Q34 PolarHBondContact O-N 3.13Å
32	K	47.7	Very low	58	Low	192 Å²	192	92.6 Å²	92.6	84%	0.835	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-13.1	179.3	-75.4	178.6	178	-179.9	0	115	M229	K32-M229 HydrophobicContact CB-CE 4.36Å; K32-M229 HydrophobicContact CG-CE 3.43Å; K32-M229 VanDerWaalsContact CG-CE 3.43Å
33	T	52.9	Low	61	Low	123 Å²	123	89.8 Å²	89.8	76%	0.755	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-3.6	-175.5	54.5	0	0	0	0	114	D31 H35	D31-T33 PolarHBondContact O-N 3.01Å; T33-H35 PolarHBondContact O-N 3.49Å
34	Q	62.7	Low	63.8	Low	47 Å²	47	85.6 Å²	85.6	22%	0.22	44%	0.435	C	S	.	.			trans	-66.7	132.7	-175.8	-72.1	-157.2	-51.9	0	0	112.6	R29 D31 F36 E55	R29-Q34 WeakPolarHBondContact O-CG 3.46Å; R29-Q34 PolarHBondContact O-NE2 3.16Å; R29-Q34 PolarHBondContact O-OE1 3.14Å; R29-Q34 VanDerWaalsContact O-OE1 3.08Å; D31-Q34 PolarHBondContact O-N 3.13Å; Q34-F36 PolarHBondContact O-N 3.26Å; Q34-F36 VanDerWaalsContact O-N 3.13Å; Q34-E55 WeakPolarHBondContact CA-OE1 3.29Å; Q34-E55 VanDerWaalsContact CB-OE1 3.3Å; Q34-E55 WeakPolarHBondContact CB-OE1 3.33Å; Q34-E55 VanDerWaalsContact CG-OE1 3.3Å; Q34-E55 WeakPolarHBondContact CG-OE1 3.26Å
35	H	72.6	Confident	66.7	Low	98 Å²	98	83.5 Å²	83.5	45%	0.454	43%	0.433	S	S	.	.			trans	-71.7	109.7	171.6	-177.8	-93.5	0	0	0	109.2	T33 E53 E55	T33-H35 PolarHBondContact O-N 3.49Å; H35-E53 IonicContact CE1-OE2 2.96Å; H35-E55 PolarHBondContact N-OE1 3.46Å; H35-E55 PolarHBondContact O-N 2.84Å
36	F	80.7	Confident	69.5	Low	55 Å²	55	78.4 Å²	78.4	24%	0.241	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.6	176.4	-175.3	-111.2	0	0	0	109.2	Q34 V38 I52 E53 V54 L230 A233 M234	Q34-F36 PolarHBondContact O-N 3.26Å; Q34-F36 VanDerWaalsContact O-N 3.13Å; F36-V38 HydrophobicContact CD1-CG2 3.85Å; F36-V38 HydrophobicContact CD2-CG2 4.43Å; F36-V38 HydrophobicContact CE1-CB 4.38Å; F36-V38 HydrophobicContact CE1-CG2 3.15Å; F36-V38 HydrophobicContact CE2-CG2 3.81Å; F36-V38 HydrophobicContact CG-CG2 4.45Å; F36-V38 HydrophobicContact CZ-CG2 3.12Å; F36-I52 HydrophobicContact CD2-CG2 4.44Å; F36-I52 HydrophobicContact CE2-CG2 3.79Å; F36-I52 HydrophobicContact CZ-CG2 4.46Å; F36-E53 WeakPolarHBondContact CA-O 3.49Å; F36-V54 HydrophobicContact CD2-CG2 4.04Å; F36-V54 HydrophobicContact CE2-CG2 4.16Å; F36-L230 HydrophobicContact CD1-CD2 4.04Å; F36-L230 HydrophobicContact CD2-CD2 3.82Å; F36-L230 HydrophobicContact CE1-CD2 3.69Å; F36-L230 HydrophobicContact CE2-CD2 3.48Å; F36-L230 VanDerWaalsContact CE2-CD2 3.48Å; F36-L230 HydrophobicContact CG-CD2 4.08Å; F36-L230 HydrophobicContact CZ-CD2 3.39Å; F36-A233 HydrophobicContact CD1-CB 4.09Å; F36-A233 HydrophobicContact CE1-CB 3.89Å; F36-M234 HydrophobicContact CE1-CG 4.4Å; F36-M234 HydrophobicContact CZ-CG 4.23Å
37	F	87.5	Confident	72.2	Confident	82 Å²	82	76.2 Å²	76.2	36%	0.36	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.3	175.8	-179.6	-97.7	0	0	0	109.5	K39 Y51 I52 E53	F37-K39 HydrophobicContact CE1-CB 3.99Å; F37-K39 HydrophobicContact CZ-CB 4.22Å; F37-K39 HydrophobicContact CZ-CD 4.27Å; F37-Y51 HydrophobicContact CD1-CD1 4.12Å; F37-Y51 HydrophobicContact CD1-CE1 4.19Å; F37-Y51 HydrophobicContact CE1-CD1 4.07Å; F37-Y51 HydrophobicContact CE1-CE1 4.33Å; F37-I52 CarbonylContact O-C 3.5Å; F37-I52 WeakPolarHBondContact O-CA 3.33Å; F37-E53 HydrophobicContact CB-CB 4.07Å; F37-E53 HydrophobicContact CB-CG 4.21Å; F37-E53 HydrophobicContact CD1-CG 4.13Å; F37-E53 PolarHBondContact N-O 3.11Å; F37-E53 PolarHBondContact O-N 2.88Å
38	V	88.3	Confident	74.9	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.8	-177.6	176.2	0	0	0	0	108.7	F36 I52 L160 E237	F36-V38 HydrophobicContact CD1-CG2 3.85Å; F36-V38 HydrophobicContact CD2-CG2 4.43Å; F36-V38 HydrophobicContact CE1-CB 4.38Å; F36-V38 HydrophobicContact CE1-CG2 3.15Å; F36-V38 HydrophobicContact CE2-CG2 3.81Å; F36-V38 HydrophobicContact CG-CG2 4.45Å; F36-V38 HydrophobicContact CZ-CG2 3.12Å; V38-I52 HydrophobicContact CG1-CD1 4.45Å; V38-I52 HydrophobicContact CG1-CG1 4.25Å; V38-I52 HydrophobicContact CG2-CD1 4.1Å; V38-I52 HydrophobicContact CG2-CG1 4.02Å; V38-I52 HydrophobicContact CG2-CG2 4.26Å; V38-L160 HydrophobicContact CG1-CD1 4.44Å; V38-L160 HydrophobicContact CG1-CD2 3.18Å; V38-L160 HydrophobicContact CG1-CG 4.44Å; V38-E237 HydrophobicContact CB-CG 4.12Å; V38-E237 HydrophobicContact CG1-CB 4.25Å; V38-E237 HydrophobicContact CG1-CG 4.13Å; V38-E237 VanDerWaalsContact O-CD 3.28Å; V38-E237 WeakPolarHBondContact O-CG 3.28Å
39	K	90.3	Very high	77.2	Confident	106 Å²	106	71.9 Å²	71.9	46%	0.461	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	135.5	172.8	-169.7	168.9	-172.1	170.5	0	111.2	F37 I42 A50 Y51	F37-K39 HydrophobicContact CE1-CB 3.99Å; F37-K39 HydrophobicContact CZ-CB 4.22Å; F37-K39 HydrophobicContact CZ-CD 4.27Å; K39-I42 HydrophobicContact CB-CD1 3.98Å; K39-I42 HydrophobicContact CB-CG1 4.29Å; K39-I42 HydrophobicContact CD-CD1 4.49Å; K39-I42 HydrophobicContact CD-CG1 4.18Å; K39-I42 HydrophobicContact CG-CD1 4.15Å; K39-I42 HydrophobicContact CG-CG1 3.9Å; K39-A50 WeakPolarHBondContact O-CA 3.34Å; K39-Y51 PolarHBondContact N-O 3.06Å; K39-Y51 PolarHBondContact O-N 2.97Å
40	C	90.4	Very high	79.7	Confident	9 Å²	9	63.5 Å²	63.5	6%	0.061	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	160.4	177.1	-48.1	0	0	0	0	111.3	I42 S49 L160 L238	C40-I42 PolarHBondContact O-N 3.07Å; C40-S49 CarbonylContact C-O 3.54Å; C40-L160 VanDerWaalsContact SG-CD1 3.53Å; C40-L160 WeakPolarHBondContact SG-CD2 3.26Å; C40-L160 WeakPolarHBondContact SG-CG 3.42Å; C40-L238 HydrophobicContact CB-CD2 4.48Å
41	N	89.3	Confident	82.1	Confident	46 Å²	46	63.8 Å²	63.8	25%	0.246	35%	0.348	C	S	.	.			trans	52.9	48.7	169.8	-70.2	-13.5	0	0	0	114.3	S49 S164 E245	N41-S49 PolarHBondContact N-O 3.02Å; N41-S164 WeakPolarHBondContact OD1-CB 2.97Å; N41-S164 PolarHBondContact OD1-OG 3.26Å; N41-E245 PolarHBondContact ND2-OE1 3.47Å
42	I	89.4	Confident	84.2	Confident	67 Å²	67	59.8 Å²	59.8	34%	0.344	33%	0.327	S	S	.	.			trans	-79.4	-37.5	-179.2	-64.4	160.9	0	0	0	111.3	K39 C40 P44 S49 Y51	K39-I42 HydrophobicContact CB-CD1 3.98Å; K39-I42 HydrophobicContact CB-CG1 4.29Å; K39-I42 HydrophobicContact CD-CD1 4.49Å; K39-I42 HydrophobicContact CD-CG1 4.18Å; K39-I42 HydrophobicContact CG-CD1 4.15Å; K39-I42 HydrophobicContact CG-CG1 3.9Å; C40-I42 PolarHBondContact O-N 3.07Å; I42-P44 WeakPolarHBondContact O-CD 3.45Å; I42-S49 PolarHBondContact N-OG 3.32Å; I42-Y51 HydrophobicContact CD1-CG 4.09Å
43	V	90.7	Very high	86.2	Confident	51 Å²	51	52.4 Å²	52.4	31%	0.309	30%	0.295	S	S	.	.			trans	-103.6	107	179	176.5	0	0	0	0	108.8	S45 A46 S49 F62	V43-S45 PolarHBondContact O-N 2.81Å; V43-A46 HydrophobicContact CB-CB 4.36Å; V43-A46 HydrophobicContact CG1-CB 4.15Å; V43-A46 PolarHBondContact O-N 3.16Å; V43-S49 PolarHBondContact N-OG 3.45Å; V43-S49 PolarHBondContact O-OG 3.41Å; V43-F62 HydrophobicContact CB-CD1 4.33Å; V43-F62 HydrophobicContact CB-CE1 3.88Å; V43-F62 HydrophobicContact CG1-CE1 4.47Å; V43-F62 HydrophobicContact CG2-CD1 4.38Å; V43-F62 HydrophobicContact CG2-CE1 3.47Å; V43-F62 VanDerWaalsContact CG2-CE1 3.47Å; V43-F62 HydrophobicContact CG2-CZ 4.22Å
44	P	85.1	Confident	87.8	Confident	128 Å²	128	47 Å²	47	83%	0.831	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.1	-176.9	27.9	-35.3	0	0	0	113.4	I42	I42-P44 WeakPolarHBondContact O-CD 3.45Å
45	S	87.8	Confident	88.8	Confident	118 Å²	118	48.1 Å²	48.1	83%	0.825	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-22	177.9	-172	0	0	0	0	112.9	V43	V43-S45 PolarHBondContact O-N 2.81Å
46	A	88.1	Confident	89.5	Confident	28 Å²	28	49.3 Å²	49.3	23%	0.231	27%	0.271	C	S	.	.	S	Bend	trans	-84.8	149.2	179.5	0	0	0	0	0	110.6	V43 G48 F62	V43-A46 HydrophobicContact CB-CB 4.36Å; V43-A46 HydrophobicContact CG1-CB 4.15Å; V43-A46 PolarHBondContact O-N 3.16Å; A46-G48 PolarHBondContact O-N 2.75Å; A46-F62 HydrophobicContact CB-CD1 4.17Å
47	A	92	Very high	90	Very high	59 Å²	59	46.7 Å²	46.7	49%	0.488	26%	0.26	S	S	.	.	S	Bend	trans	-61.4	-37.7	175.5	0	0	0	0	0	111.4	S165	A47-S165 WeakPolarHBondContact O-CA 3.25Å
48	G	94.3	Very high	90.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.9	165.6	0	0	0	0	0	110.2	A46 V63 S164	A46-G48 PolarHBondContact O-N 2.75Å; G48-V63 PolarHBondContact O-N 3.49Å; G48-S164 VanDerWaalsContact CA-OG 3.25Å; G48-S164 WeakPolarHBondContact CA-OG 3.35Å
49	S	95.7	Very high	90.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.4	178.3	56.1	0	0	0	0	110.8	C40 N41 I42 V43 C61 S164	C40-S49 CarbonylContact C-O 3.54Å; N41-S49 PolarHBondContact N-O 3.02Å; I42-S49 PolarHBondContact N-OG 3.32Å; V43-S49 PolarHBondContact N-OG 3.45Å; V43-S49 PolarHBondContact O-OG 3.41Å; S49-C61 CarbonylContact C-O 3.52Å; S49-C61 VanDerWaalsContact CA-O 3.25Å; S49-C61 WeakPolarHBondContact CA-O 3.26Å; S49-S164 PolarHBondContact N-OG 2.9Å; S49-S164 VanDerWaalsContact N-OG 3.16Å; S49-S164 PolarHBondContact O-OG 3.46Å
50	A	95.5	Very high	91	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.5	176.2	0	0	0	0	0	110.5	K39 M60 C61 C157 L160 A161	K39-A50 WeakPolarHBondContact O-CA 3.34Å; A50-M60 WeakPolarHBondContact O-CA 3.32Å; A50-C61 PolarHBondContact N-O 3.23Å; A50-C61 PolarHBondContact O-N 3.13Å; A50-C157 VanDerWaalsContact C-SG 3.51Å; A50-C157 WeakPolarHBondContact CB-O 3.17Å; A50-C157 PolarHBondContact O-SG 3.11Å; A50-L160 HydrophobicContact CB-CB 3.82Å; A50-L160 HydrophobicContact CB-CD2 3.77Å; A50-L160 HydrophobicContact CB-CG 4.08Å; A50-A161 HydrophobicContact CB-CB 3.85Å
51	Y	95	Very high	91.3	Very high	38 Å²	38	42.3 Å²	42.3	15%	0.149	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.8	168.7	178.7	-117.4	0	0	0	109	F37 K39 I42 E53 K58 V59 M60 L144	F37-Y51 HydrophobicContact CD1-CD1 4.12Å; F37-Y51 HydrophobicContact CD1-CE1 4.19Å; F37-Y51 HydrophobicContact CE1-CD1 4.07Å; F37-Y51 HydrophobicContact CE1-CE1 4.33Å; K39-Y51 PolarHBondContact N-O 3.06Å; K39-Y51 PolarHBondContact O-N 2.97Å; I42-Y51 HydrophobicContact CD1-CG 4.09Å; Y51-E53 HydrophobicContact CD1-CG 4.16Å; Y51-E53 HydrophobicContact CE1-CG 3.33Å; Y51-E53 WeakPolarHBondContact CE1-OE1 3.46Å; Y51-E53 HydrophobicContact CE2-CG 4.46Å; Y51-E53 PolarHBondContact OH-OE1 3.34Å; Y51-K58 HydrophobicContact CE2-CB 4.06Å; Y51-K58 VanDerWaalsContact OH-CD 3.29Å; Y51-K58 WeakPolarHBondContact OH-CD 3.43Å; Y51-K58 WeakPolarHBondContact OH-CG 3.38Å; Y51-V59 WeakPolarHBondContact CA-O 2.98Å; Y51-V59 WeakPolarHBondContact CD2-O 3.43Å; Y51-M60 HydrophobicContact CD2-CG 3.41Å; Y51-M60 VanDerWaalsContact CD2-CG 3.41Å; Y51-M60 HydrophobicContact CD2-SD 4.47Å; Y51-M60 HydrophobicContact CE2-CG 4.06Å; Y51-M60 HydrophobicContact CG-CG 4.31Å; Y51-L144 HydrophobicContact CE2-CD1 4.08Å
52	I	91.7	Very high	91.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.3	175.9	-61.6	-165.9	0	0	0	108.6	F36 F37 V38 V54 V59 N156 C157	F36-I52 HydrophobicContact CD2-CG2 4.44Å; F36-I52 HydrophobicContact CE2-CG2 3.79Å; F36-I52 HydrophobicContact CZ-CG2 4.46Å; F37-I52 CarbonylContact O-C 3.5Å; F37-I52 WeakPolarHBondContact O-CA 3.33Å; V38-I52 HydrophobicContact CG1-CD1 4.45Å; V38-I52 HydrophobicContact CG1-CG1 4.25Å; V38-I52 HydrophobicContact CG2-CD1 4.1Å; V38-I52 HydrophobicContact CG2-CG1 4.02Å; V38-I52 HydrophobicContact CG2-CG2 4.26Å; I52-V54 HydrophobicContact CG2-CG2 3.81Å; I52-V59 PolarHBondContact N-O 3.46Å; I52-V59 PolarHBondContact O-N 3.43Å; I52-N156 VanDerWaalsContact CD1-C 3.46Å; I52-N156 HydrophobicContact CD1-CB 3.61Å; I52-C157 HydrophobicContact CB-CB 4.18Å; I52-C157 VanDerWaalsContact CD1-CA 3.48Å; I52-C157 HydrophobicContact CD1-CB 3.87Å; I52-C157 VanDerWaalsContact CD1-N 3.28Å; I52-C157 HydrophobicContact CG1-CB 3.82Å
53	E	90.5	Very high	91.9	Very high	37 Å²	37	38.5 Å²	38.5	17%	0.173	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	165.5	-44.8	-171.8	148.5	0	0	108.9	H35 F36 F37 Y51 T57 K58	H35-E53 IonicContact CE1-OE2 2.96Å; F36-E53 WeakPolarHBondContact CA-O 3.49Å; F37-E53 HydrophobicContact CB-CB 4.07Å; F37-E53 HydrophobicContact CB-CG 4.21Å; F37-E53 HydrophobicContact CD1-CG 4.13Å; F37-E53 PolarHBondContact N-O 3.11Å; F37-E53 PolarHBondContact O-N 2.88Å; Y51-E53 HydrophobicContact CD1-CG 4.16Å; Y51-E53 HydrophobicContact CE1-CG 3.33Å; Y51-E53 WeakPolarHBondContact CE1-OE1 3.46Å; Y51-E53 HydrophobicContact CE2-CG 4.46Å; Y51-E53 PolarHBondContact OH-OE1 3.34Å; E53-T57 CarbonylContact C-O 3.46Å; E53-T57 VanDerWaalsContact CA-O 3.26Å; E53-T57 WeakPolarHBondContact CA-O 3.35Å; E53-K58 HydrophobicContact CB-CG 4.44Å; E53-K58 HydrophobicContact CG-CG 4.02Å
54	V	86.1	Confident	92.1	Very high	10 Å²	10	39.5 Å²	39.5	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	106.4	170.5	-172.1	0	0	0	0	106.4	F36 I52 K56 T57 N149 A153	F36-V54 HydrophobicContact CD2-CG2 4.04Å; F36-V54 HydrophobicContact CE2-CG2 4.16Å; I52-V54 HydrophobicContact CG2-CG2 3.81Å; V54-K56 PolarHBondContact O-N 3.03Å; V54-T57 PolarHBondContact N-O 3.01Å; V54-T57 VanDerWaalsContact O-CB 3.3Å; V54-T57 WeakPolarHBondContact O-CB 3.44Å; V54-T57 PolarHBondContact O-N 3.29Å; V54-N149 HydrophobicContact CB-CB 4.31Å; V54-N149 HydrophobicContact CG1-CB 4.26Å; V54-N149 WeakPolarHBondContact CG1-ND2 3.49Å; V54-A153 HydrophobicContact CG2-CB 4.02Å
55	E	83.2	Confident	92	Very high	71 Å²	71	34.4 Å²	34.4	33%	0.332	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-118.9	-167.6	-60.9	-62.1	160.7	0	0	110.9	Q34 H35	Q34-E55 WeakPolarHBondContact CA-OE1 3.29Å; Q34-E55 VanDerWaalsContact CB-OE1 3.3Å; Q34-E55 WeakPolarHBondContact CB-OE1 3.33Å; Q34-E55 VanDerWaalsContact CG-OE1 3.3Å; Q34-E55 WeakPolarHBondContact CG-OE1 3.26Å; H35-E55 PolarHBondContact N-OE1 3.46Å; H35-E55 PolarHBondContact O-N 2.84Å
56	K	88.6	Confident	92	Very high	123 Å²	123	31.2 Å²	31.2	54%	0.535	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-12.3	174.9	-58	178.5	-169.9	161.7	0	113.1	V54 K58 E145 D147	V54-K56 PolarHBondContact O-N 3.03Å; K56-K58 PolarHBondContact O-N 3.35Å; K56-E145 WeakPolarHBondContact O-CB 3.4Å; K56-E145 WeakPolarHBondContact O-CG 3.45Å; K56-D147 HydrophobicContact CB-CB 3.84Å; K56-D147 WeakPolarHBondContact CD-OD2 3.31Å
57	T	91.1	Very high	92	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.6	-179.6	-59.6	0	0	0	0	109.7	E53 V54 V59 E145 D147 N149 A153	E53-T57 CarbonylContact C-O 3.46Å; E53-T57 VanDerWaalsContact CA-O 3.26Å; E53-T57 WeakPolarHBondContact CA-O 3.35Å; V54-T57 PolarHBondContact N-O 3.01Å; V54-T57 VanDerWaalsContact O-CB 3.3Å; V54-T57 WeakPolarHBondContact O-CB 3.44Å; V54-T57 PolarHBondContact O-N 3.29Å; T57-V59 HydrophobicContact CG2-CG2 4.18Å; T57-E145 CarbonylContact C-O 3.59Å; T57-E145 VanDerWaalsContact CA-O 3.28Å; T57-E145 WeakPolarHBondContact CA-O 3.37Å; T57-E145 WeakPolarHBondContact CG2-O 3.25Å; T57-D147 WeakPolarHBondContact OG1-CB 3.34Å; T57-D147 PolarHBondContact OG1-N 2.97Å; T57-N149 HydrophobicContact CG2-CB 4.17Å; T57-A153 HydrophobicContact CG2-CB 3.96Å
58	K	94.6	Very high	91.6	Very high	61 Å²	61	36.9 Å²	36.9	27%	0.265	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.3	-177.9	-66.4	170.5	-177.4	143.3	0	110.2	Y51 E53 K56 L144 E145	Y51-K58 HydrophobicContact CE2-CB 4.06Å; Y51-K58 VanDerWaalsContact OH-CD 3.29Å; Y51-K58 WeakPolarHBondContact OH-CD 3.43Å; Y51-K58 WeakPolarHBondContact OH-CG 3.38Å; E53-K58 HydrophobicContact CB-CG 4.44Å; E53-K58 HydrophobicContact CG-CG 4.02Å; K56-K58 PolarHBondContact O-N 3.35Å; K58-L144 HydrophobicContact CB-CB 4.1Å; K58-L144 WeakPolarHBondContact O-CB 3.16Å; K58-L144 PolarHBondContact O-N 3.03Å; K58-E145 HydrophobicContact CB-CB 4.09Å; K58-E145 HydrophobicContact CD-CB 4.31Å; K58-E145 WeakPolarHBondContact CD-OE2 3.49Å; K58-E145 WeakPolarHBondContact CE-OE2 3.46Å; K58-E145 HydrophobicContact CG-CB 4.35Å; K58-E145 PolarHBondContact N-O 3.36Å; K58-E145 IonicContact NZ-OE2 2.75Å; K58-E145 PolarHBondContact NZ-OE2 3.42Å; K58-E145 PolarHBondContact O-N 3.05Å
59	V	95.8	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.8	-177.7	-176.8	0	0	0	0	110.8	Y51 I52 T57 I141 V143 A153 A154 C157	Y51-V59 WeakPolarHBondContact CA-O 2.98Å; Y51-V59 WeakPolarHBondContact CD2-O 3.43Å; I52-V59 PolarHBondContact N-O 3.46Å; I52-V59 PolarHBondContact O-N 3.43Å; T57-V59 HydrophobicContact CG2-CG2 4.18Å; V59-I141 HydrophobicContact CG1-CG2 3.69Å; V59-V143 HydrophobicContact CG2-CG1 4.31Å; V59-V143 HydrophobicContact CG2-CG2 4.3Å; V59-A153 HydrophobicContact CB-CB 4.21Å; V59-A153 HydrophobicContact CG2-CB 3.59Å; V59-A154 HydrophobicContact CG1-CB 4.44Å; V59-C157 HydrophobicContact CG1-CB 4.37Å; V59-C157 PolarHBondContact O-SG 3.44Å; V59-C157 VanDerWaalsContact O-SG 3.4Å
60	M	96.6	Very high	89	Confident	49 Å²	49	46.5 Å²	46.5	24%	0.241	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.8	169.1	-73.5	-168.7	-55.5	0	0	110.5	A50 Y51 F62 N142 L144	A50-M60 WeakPolarHBondContact O-CA 3.32Å; Y51-M60 HydrophobicContact CD2-CG 3.41Å; Y51-M60 VanDerWaalsContact CD2-CG 3.41Å; Y51-M60 HydrophobicContact CD2-SD 4.47Å; Y51-M60 HydrophobicContact CE2-CG 4.06Å; Y51-M60 HydrophobicContact CG-CG 4.31Å; M60-F62 HydrophobicContact CB-CE2 4.07Å; M60-F62 HydrophobicContact CB-CZ 4.04Å; M60-F62 HydrophobicContact CE-CZ 4.2Å; M60-F62 HydrophobicContact SD-CZ 4.17Å; M60-N142 PolarHBondContact N-O 3.47Å; M60-N142 PolarHBondContact O-N 3.31Å; M60-L144 HydrophobicContact CE-CD1 3.77Å; M60-L144 HydrophobicContact CE-CD2 3.95Å; M60-L144 HydrophobicContact CE-CG 4.26Å; M60-L144 HydrophobicContact CG-CD1 4.02Å; M60-L144 HydrophobicContact SD-CD1 4.22Å
61	C	96.8	Very high	87.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.5	173	-170.9	0	0	0	0	110.9	S49 A50 L140 C157 A161	S49-C61 CarbonylContact C-O 3.52Å; S49-C61 VanDerWaalsContact CA-O 3.25Å; S49-C61 WeakPolarHBondContact CA-O 3.26Å; A50-C61 PolarHBondContact N-O 3.23Å; A50-C61 PolarHBondContact O-N 3.13Å; C61-L140 CarbonylContact C-O 3.54Å; C61-L140 VanDerWaalsContact CA-O 3.28Å; C61-L140 WeakPolarHBondContact CA-O 3.47Å; C61-C157 HydrophobicContact CB-CB 4.22Å; C61-C157 WeakPolarHBondContact CB-SG 3.21Å; C61-C157 PolarHBondContact N-SG 3.1Å; C61-C157 VanDerWaalsContact N-SG 3.36Å; C61-A161 HydrophobicContact CB-CB 3.97Å
62	F	95.9	Very high	85.7	Confident	34 Å²	34	53.8 Å²	53.8	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.7	174.8	-52	-76.9	0	0	0	110.1	V43 A46 M60 L140	V43-F62 HydrophobicContact CB-CD1 4.33Å; V43-F62 HydrophobicContact CB-CE1 3.88Å; V43-F62 HydrophobicContact CG1-CE1 4.47Å; V43-F62 HydrophobicContact CG2-CD1 4.38Å; V43-F62 HydrophobicContact CG2-CE1 3.47Å; V43-F62 VanDerWaalsContact CG2-CE1 3.47Å; V43-F62 HydrophobicContact CG2-CZ 4.22Å; A46-F62 HydrophobicContact CB-CD1 4.17Å; M60-F62 HydrophobicContact CB-CE2 4.07Å; M60-F62 HydrophobicContact CB-CZ 4.04Å; M60-F62 HydrophobicContact CE-CZ 4.2Å; M60-F62 HydrophobicContact SD-CZ 4.17Å; F62-L140 HydrophobicContact CB-CB 4.3Å; F62-L140 PolarHBondContact N-O 3.43Å; F62-L140 PolarHBondContact O-N 3.26Å
63	V	95.8	Very high	84	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.4	172.7	-170.9	0	0	0	0	109.6	G48 I137 L139 A161 L162 I167	G48-V63 PolarHBondContact O-N 3.49Å; V63-I137 HydrophobicContact CG1-CG2 4.03Å; V63-L139 HydrophobicContact CB-CD2 4.17Å; V63-L139 HydrophobicContact CG1-CD2 4.06Å; V63-L139 HydrophobicContact CG2-CD2 3.53Å; V63-A161 HydrophobicContact CG2-CB 3.64Å; V63-A161 VanDerWaalsContact CG2-O 3.26Å; V63-A161 WeakPolarHBondContact CG2-O 3.3Å; V63-L162 HydrophobicContact CG1-CD2 4.38Å; V63-L162 HydrophobicContact CG2-CD2 4.44Å; V63-I167 HydrophobicContact CG1-CD1 3.65Å
64	I	93.1	Very high	82.4	Confident	72 Å²	72	63.4 Å²	63.4	37%	0.369	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.3	170.8	-56.9	175.2	0	0	0	107.8	Q138 L140	I64-Q138 HydrophobicContact CB-CB 4.15Å; I64-Q138 PolarHBondContact N-O 2.98Å; I64-Q138 PolarHBondContact O-N 2.89Å; I64-L140 HydrophobicContact CD1-CD1 3.45Å; I64-L140 VanDerWaalsContact CD1-CD1 3.45Å; I64-L140 HydrophobicContact CD1-CG 4.22Å; I64-L140 HydrophobicContact CG1-CD1 4.28Å
65	G	83.3	Confident	80.8	Confident	20 Å²	20	65.8 Å²	65.8	21%	0.206	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.7	-175.4	175.6	0	0	0	0	0	112.5	S67	G65-S67 VanDerWaalsContact CA-N 3.28Å
66	P	88.4	Confident	79.4	Confident	52 Å²	52	69.8 Å²	69.8	34%	0.338	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-77.4	106.9	12.7	28.8	-34.9	0	0	0	114.1	Y132 R135 I137	P66-Y132 HydrophobicContact CB-CD1 4.01Å; P66-Y132 HydrophobicContact CB-CE1 4.38Å; P66-Y132 HydrophobicContact CG-CD1 4.11Å; P66-Y132 HydrophobicContact CG-CE1 4.05Å; P66-R135 HydrophobicContact CB-CB 4.16Å; P66-R135 HydrophobicContact CB-CG 4.48Å; P66-I137 HydrophobicContact CB-CG1 4.24Å
67	S	88.2	Confident	77.6	Confident	50 Å²	50	66.7 Å²	66.7	35%	0.35	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	153.6	179.1	-66.7	0	0	0	0	110.9	G65 K69 R135 Q136	G65-S67 VanDerWaalsContact CA-N 3.28Å; S67-K69 PolarHBondContact O-N 2.93Å; S67-R135 CarbonylContact O-C 3.55Å; S67-R135 VanDerWaalsContact O-CA 3.25Å; S67-R135 WeakPolarHBondContact O-CA 3.24Å; S67-R135 WeakPolarHBondContact O-CD 3.39Å; S67-Q136 PolarHBondContact N-O 2.66Å; S67-Q136 PolarHBondContact O-N 2.7Å
68	K	83.5	Confident	75.8	Confident	156 Å²	156	69.5 Å²	69.5	68%	0.678	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	131.1	168.2	-68.8	-176.4	-179	176.1	0	107.6	L70	K68-L70 PolarHBondContact O-N 3.15Å; K68-L70 VanDerWaalsContact O-N 3.16Å
69	K	73.3	Confident	74.1	Confident	52 Å²	52	71.8 Å²	71.8	23%	0.226	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-59.4	122.8	174.5	-172.9	174.7	179.1	177	0	107.7	S67 V71 C78 V84 K134 Q136	S67-K69 PolarHBondContact O-N 2.93Å; K69-V71 PolarHBondContact O-N 3.26Å; K69-C78 HydrophobicContact CD-CB 4.26Å; K69-C78 PolarHBondContact NZ-SG 3.09Å; K69-V84 HydrophobicContact CD-CG2 4.45Å; K69-K134 PolarHBondContact N-O 3.22Å; K69-Q136 HydrophobicContact CB-CB 4.49Å
70	L	63.2	Low	72.7	Confident	151 Å²	151	73.5 Å²	73.5	79%	0.791	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-60.9	122.9	170.2	-67.7	172.2	0	0	0	106.3	K68 N72	K68-L70 PolarHBondContact O-N 3.15Å; K68-L70 VanDerWaalsContact O-N 3.16Å; L70-N72 PolarHBondContact O-N 3.38Å
71	V	60.5	Low	71.9	Confident	105 Å²	105	76.4 Å²	76.4	64%	0.636	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-53.8	126.8	179.2	-178.6	0	0	0	0	107.2	K69 A73	K69-V71 PolarHBondContact O-N 3.26Å; V71-A73 PolarHBondContact O-N 3.38Å
72	N	59.3	Low	71.4	Confident	87 Å²	87	78.6 Å²	78.6	47%	0.465	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-55.2	143.1	171.7	-70.5	2.1	0	0	0	107.9	L70 D74 G75	L70-N72 PolarHBondContact O-N 3.38Å; N72-D74 PolarHBondContact O-N 3.07Å; N72-G75 PolarHBondContact O-N 2.97Å
73	A	55.9	Low	71	Confident	109 Å²	109	77.2 Å²	77.2	90%	0.901	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-21.8	-176.3	0	0	0	0	0	113.9	V71 G75	V71-A73 PolarHBondContact O-N 3.38Å; A73-G75 PolarHBondContact O-N 3.49Å
74	D	56.6	Low	70.8	Confident	130 Å²	130	79.5 Å²	79.5	70%	0.695	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	3.9	179.7	-53.5	-34.9	0	0	0	114.9	N72 Q76	N72-D74 PolarHBondContact O-N 3.07Å; D74-Q76 PolarHBondContact O-N 2.82Å
75	G	52.6	Low	70.8	Confident	59 Å²	59	76.9 Å²	76.9	61%	0.608	48%	0.477	S	S	*	.			trans	65	-5	175.5	0	0	0	0	0	115.1	N72 A73 G77	N72-G75 PolarHBondContact O-N 2.97Å; A73-G75 PolarHBondContact O-N 3.49Å; G75-G77 VanDerWaalsContact C-N 3.34Å; G75-G77 PolarHBondContact O-N 3.39Å
76	Q	54.3	Low	71.3	Confident	155 Å²	155	78.1 Å²	78.1	72%	0.724	48%	0.479	S	S	*	.			trans	-72.5	92.6	172.3	-67.3	-174.6	37.1	0	0	107.8	D74 C78	D74-Q76 PolarHBondContact O-N 2.82Å; Q76-C78 PolarHBondContact O-N 3.04Å
77	G	51.6	Low	71.6	Confident	59 Å²	59	75.7 Å²	75.7	61%	0.608	46%	0.463	S	S	*	.			trans	-48.5	111.9	170	0	0	0	0	0	108.2	G75 S79	G75-G77 VanDerWaalsContact C-N 3.34Å; G75-G77 PolarHBondContact O-N 3.39Å; G77-S79 VanDerWaalsContact C-N 3.32Å; G77-S79 PolarHBondContact O-N 3.48Å
78	C	53.3	Low	72	Confident	58 Å²	58	75.2 Å²	75.2	39%	0.392	46%	0.458	S	S	.	.			trans	-61.5	99	-176.7	-149.8	0	0	0	0	106.9	K69 Q76 S80	K69-C78 HydrophobicContact CD-CB 4.26Å; K69-C78 PolarHBondContact NZ-SG 3.09Å; Q76-C78 PolarHBondContact O-N 3.04Å; C78-S80 PolarHBondContact O-N 3.39Å
79	S	57.8	Low	72.6	Confident	109 Å²	109	68.1 Å²	68.1	76%	0.762	43%	0.428	S	S	*	.			trans	-71.6	31	179.5	-174.2	0	0	0	0	111.3	G77 T81	G77-S79 VanDerWaalsContact C-N 3.32Å; G77-S79 PolarHBondContact O-N 3.48Å; S79-T81 PolarHBondContact O-N 2.95Å; S79-T81 VanDerWaalsContact O-N 3.16Å
80	S	66.3	Low	73.5	Confident	36 Å²	36	73.1 Å²	73.1	25%	0.252	45%	0.446	S	S	.	.			trans	-70	114.8	174.6	-168.7	0	0	0	0	107.6	C78 T82	C78-S80 PolarHBondContact O-N 3.39Å; S80-T82 PolarHBondContact O-N 3.2Å; S80-T82 PolarHBondContact OG-O 2.71Å; S80-T82 VanDerWaalsContact OG-O 3.11Å; S80-T82 PolarHBondContact OG-OG1 3.28Å; S80-T82 VanDerWaalsContact OG-OG1 3.07Å
81	T	81.4	Confident	75	Confident	110 Å²	110	67 Å²	67	68%	0.675	41%	0.412	S	S	*	.	S	Bend	trans	-63.7	-15.1	171.1	44.2	0	0	0	0	111.6	S79	S79-T81 PolarHBondContact O-N 2.95Å; S79-T81 VanDerWaalsContact O-N 3.16Å
82	T	85.9	Confident	76.5	Confident	46 Å²	46	62.7 Å²	62.7	28%	0.282	39%	0.387	S	S	.	.	S	Bend	trans	-110	152.5	-178.7	60.4	0	0	0	0	111.9	S80 L130	S80-T82 PolarHBondContact O-N 3.2Å; S80-T82 PolarHBondContact OG-O 2.71Å; S80-T82 VanDerWaalsContact OG-O 3.11Å; S80-T82 PolarHBondContact OG-OG1 3.28Å; S80-T82 VanDerWaalsContact OG-OG1 3.07Å; T82-L130 HydrophobicContact CG2-CD2 3.62Å; T82-L130 HydrophobicContact CG2-CG 4.21Å
83	G	87.9	Confident	78	Confident	5 Å²	5	61.5 Å²	61.5	5%	0.052	38%	0.384	C	S	.	.			trans	-65.3	159.8	166.3	0	0	0	0	0	112.1	L129 Y132 R135	G83-L129 PolarHBondContact N-O 3.02Å; G83-Y132 WeakPolarHBondContact CA-O 3.22Å; G83-Y132 PolarHBondContact N-O 3.01Å; G83-R135 WeakPolarHBondContact CA-O 3.36Å
84	V	90.4	Very high	79.7	Confident	49 Å²	49	64 Å²	64	30%	0.297	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.4	177.6	-179.9	0	0	0	0	109.2	K69 R135 Q136 I137	K69-V84 HydrophobicContact CD-CG2 4.45Å; V84-R135 PolarHBondContact N-O 2.7Å; V84-Q136 WeakPolarHBondContact O-CA 3.31Å; V84-I137 PolarHBondContact O-N 3.04Å
85	L	93.1	Very high	81.3	Confident	17 Å²	17	58 Å²	58	9%	0.089	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.7	169.7	-173.8	65.6	0	0	0	109.1	V87 L123 L129 I137 L139	L85-V87 HydrophobicContact CG-CG2 4.26Å; L85-L123 HydrophobicContact CD2-CB 3.68Å; L85-L123 HydrophobicContact CD2-CD1 4.46Å; L85-L129 HydrophobicContact CB-CD1 4.33Å; L85-L129 HydrophobicContact CB-CD2 4.15Å; L85-I137 HydrophobicContact CD1-CB 4.06Å; L85-I137 HydrophobicContact CD1-CG2 3.86Å; L85-L139 HydrophobicContact CD1-CD1 3.76Å; L85-L139 HydrophobicContact CD1-CG 3.94Å; L85-L139 HydrophobicContact CD2-CD1 4.41Å; L85-L139 HydrophobicContact CG-CD1 4.38Å
86	D	93.5	Very high	83	Confident	46 Å²	46	57.9 Å²	57.9	25%	0.246	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.4	176	-172.4	19.7	0	0	0	109.7	K116 Q136 I137 Q138 L139	D86-K116 IonicContact OD1-NZ 3.82Å; D86-Q136 HydrophobicContact CB-CG 4.23Å; D86-Q136 PolarHBondContact OD2-NE2 3.16Å; D86-I137 PolarHBondContact N-O 3.02Å; D86-Q138 HydrophobicContact CB-CG 4.33Å; D86-Q138 CarbonylContact O-C 3.57Å; D86-Q138 WeakPolarHBondContact O-CA 3.48Å; D86-L139 PolarHBondContact O-N 3.03Å
87	V	95.7	Very high	84.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.6	-177.6	-176.1	0	0	0	0	108.2	L85 V89 K116 A119 Q120 L139 I141	L85-V87 HydrophobicContact CG-CG2 4.26Å; V87-V89 HydrophobicContact CG1-CG2 4.25Å; V87-K116 HydrophobicContact CB-CG 4.28Å; V87-K116 WeakPolarHBondContact O-CD 3.22Å; V87-K116 WeakPolarHBondContact O-CE 3.48Å; V87-K116 WeakPolarHBondContact O-CG 3.4Å; V87-K116 PolarHBondContact O-NZ 3.09Å; V87-A119 HydrophobicContact CG1-CB 3.98Å; V87-A119 HydrophobicContact CG2-CB 4.46Å; V87-Q120 HydrophobicContact CB-CG 3.99Å; V87-Q120 HydrophobicContact CG2-CG 3.64Å; V87-L139 HydrophobicContact CG1-CB 4.49Å; V87-L139 HydrophobicContact CG2-CB 4.3Å; V87-L139 HydrophobicContact CG2-CD1 4.25Å; V87-I141 HydrophobicContact CG1-CD1 3.69Å; V87-I141 HydrophobicContact CG1-CG1 4.44Å
88	T	95.6	Very high	86	Confident	40 Å²	40	61.5 Å²	61.5	25%	0.245	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.8	173.1	-60.4	0	0	0	0	107.9	R90 L139 L140 I141	T88-R90 HydrophobicContact CG2-CG 4.26Å; T88-L139 PolarHBondContact N-O 3.46Å; T88-L140 HydrophobicContact CG2-CD2 4.21Å; T88-L140 WeakPolarHBondContact O-CA 3.23Å; T88-I141 PolarHBondContact O-N 2.76Å
89	V	95.7	Very high	87.5	Confident	8 Å²	8	67.3 Å²	67.3	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.3	175.3	-174.3	0	0	0	0	107.8	V87 E112 I115 K116 I141 V143	V87-V89 HydrophobicContact CG1-CG2 4.25Å; V89-E112 HydrophobicContact CB-CB 4.34Å; V89-E112 HydrophobicContact CB-CG 4.5Å; V89-E112 HydrophobicContact CG1-CG 4.28Å; V89-I115 HydrophobicContact CG1-CB 4.32Å; V89-I115 HydrophobicContact CG1-CG2 4.15Å; V89-I115 HydrophobicContact CG2-CB 4.16Å; V89-I115 HydrophobicContact CG2-CG2 3.82Å; V89-K116 HydrophobicContact CG2-CB 4.05Å; V89-I141 CarbonylContact C-O 3.58Å; V89-I141 WeakPolarHBondContact CA-O 3.45Å; V89-I141 HydrophobicContact CG2-CB 4.28Å; V89-I141 HydrophobicContact CG2-CD1 4.16Å; V89-V143 HydrophobicContact CG1-CG2 4.4Å
90	R	94.2	Very high	88.8	Confident	157 Å²	157	63.2 Å²	63.2	59%	0.592	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.4	174.3	-66.8	-174.1	176.8	-178.2	0.7	110.2	T88 E112 I141 N142 V143	T88-R90 HydrophobicContact CG2-CG 4.26Å; R90-E112 WeakPolarHBondContact CA-OE1 3.35Å; R90-I141 PolarHBondContact N-O 2.76Å; R90-N142 CarbonylContact O-C 3.57Å; R90-N142 WeakPolarHBondContact O-CA 3.26Å; R90-V143 PolarHBondContact O-N 3.38Å
91	Y	93.7	Very high	89.4	Confident	22 Å²	22	67.3 Å²	67.3	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.8	166.4	-81.7	-102.1	0	0	0	110.3	A95 I100 V108 E112 I115 V143 D146 A150	Y91-A95 HydrophobicContact CD1-CB 3.8Å; Y91-I100 HydrophobicContact CD1-CD1 4.46Å; Y91-I100 HydrophobicContact CG-CD1 4.43Å; Y91-V108 HydrophobicContact CD2-CG1 4.1Å; Y91-V108 HydrophobicContact CG-CG1 4.13Å; Y91-E112 HydrophobicContact CD2-CG 3.5Å; Y91-E112 HydrophobicContact CE2-CG 4Å; Y91-E112 PolarHBondContact N-OE1 3.45Å; Y91-I115 HydrophobicContact CE2-CD1 3.95Å; Y91-I115 VanDerWaalsContact OH-CD1 3.27Å; Y91-I115 WeakPolarHBondContact OH-CD1 3.44Å; Y91-V143 HydrophobicContact CD1-CB 3.87Å; Y91-V143 HydrophobicContact CD1-CG1 3.81Å; Y91-V143 HydrophobicContact CD2-CB 4.46Å; Y91-V143 HydrophobicContact CD2-CG2 4.47Å; Y91-V143 HydrophobicContact CE1-CB 3.95Å; Y91-V143 HydrophobicContact CE1-CG1 3.59Å; Y91-V143 HydrophobicContact CE1-CG2 4.31Å; Y91-V143 HydrophobicContact CE2-CG2 4.22Å; Y91-V143 HydrophobicContact CG-CB 4.15Å; Y91-D146 HydrophobicContact CE1-CB 3.83Å; Y91-D146 VanDerWaalsContact CE1-OD2 3.28Å; Y91-D146 WeakPolarHBondContact CE1-OD2 3.46Å; Y91-D146 PolarHBondContact OH-OD2 3.34Å; Y91-A150 WeakPolarHBondContact OH-CB 3.28Å
92	A	92.6	Very high	89	Confident	14 Å²	14	72 Å²	72	12%	0.116	34%	0.339	C	S	.	.			trans	-63.9	147	167.2	0	0	0	0	0	109.5	Y94 A95 V143	A92-Y94 HydrophobicContact CB-CD2 3.94Å; A92-Y94 HydrophobicContact CB-CE1 4.26Å; A92-Y94 HydrophobicContact CB-CE2 3.58Å; A92-Y94 HydrophobicContact CB-CG 4.42Å; A92-Y94 PolarHBondContact O-N 3.11Å; A92-A95 HydrophobicContact CB-CB 4.17Å; A92-A95 VanDerWaalsContact O-CB 3.23Å; A92-A95 WeakPolarHBondContact O-CB 3.41Å; A92-A95 PolarHBondContact O-N 3.39Å; A92-V143 WeakPolarHBondContact CB-O 3.42Å; A92-V143 PolarHBondContact N-O 3.19Å
93	P	90.9	Very high	88.2	Confident	62 Å²	62	74 Å²	74	40%	0.403	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.8	179.8	-26	34.6	0	0	0	114.6	R99 I100	P93-R99 WeakPolarHBondContact O-CA 3.5Å; P93-R99 WeakPolarHBondContact O-CG 3.46Å; P93-I100 PolarHBondContact O-N 2.96Å
94	Y	91.5	Very high	87	Confident	162 Å²	162	83.1 Å²	83.1	64%	0.635	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	10.2	-179.8	49.3	-105.9	0	0	0	113	A92 K96	A92-Y94 HydrophobicContact CB-CD2 3.94Å; A92-Y94 HydrophobicContact CB-CE1 4.26Å; A92-Y94 HydrophobicContact CB-CE2 3.58Å; A92-Y94 HydrophobicContact CB-CG 4.42Å; A92-Y94 PolarHBondContact O-N 3.11Å; Y94-K96 PolarHBondContact O-N 2.97Å
95	A	90.2	Very high	86.3	Confident	3 Å²	3	86.2 Å²	86.2	3%	0.025	40%	0.4	C	S	.	.	S	Bend	trans	-68.3	-22.2	-175.2	0	0	0	0	0	113.8	Y91 A92 L144 E145 D146	Y91-A95 HydrophobicContact CD1-CB 3.8Å; A92-A95 HydrophobicContact CB-CB 4.17Å; A92-A95 VanDerWaalsContact O-CB 3.23Å; A92-A95 WeakPolarHBondContact O-CB 3.41Å; A92-A95 PolarHBondContact O-N 3.39Å; A95-L144 VanDerWaalsContact CA-O 3.23Å; A95-L144 WeakPolarHBondContact CA-O 3.24Å; A95-E145 CarbonylContact O-C 3.57Å; A95-E145 WeakPolarHBondContact O-CA 3.21Å; A95-D146 PolarHBondContact O-N 3.47Å
96	K	87.5	Confident	85.7	Confident	57 Å²	57	91.1 Å²	91.1	25%	0.248	43%	0.426	C	S	.	.	S	Bend	trans	-112.6	158.5	177.9	-68	-168.2	175.5	-163.7	0	110.7	Y94 E98 I100 E111	Y94-K96 PolarHBondContact O-N 2.97Å; K96-E98 PolarHBondContact O-N 3.43Å; K96-I100 HydrophobicContact CG-CD1 4.35Å; K96-E111 VanDerWaalsContact CE-OE2 3.25Å; K96-E111 WeakPolarHBondContact CE-OE2 3.46Å; K96-E111 IonicContact NZ-OE1 2.81Å; K96-E111 PolarHBondContact NZ-OE1 3.15Å; K96-E111 IonicContact NZ-OE2 2.6Å; K96-E111 PolarHBondContact NZ-OE2 3.31Å
97	P	84.5	Confident	85.1	Confident	139 Å²	139	92.4 Å²	92.4	90%	0.903	44%	0.439	S	S	*	.	S	Bend	trans	-54.8	-38.6	175	-25.6	33.7	0	0	0	112.8
98	E	84.9	Confident	84.5	Confident	152 Å²	152	92.9 Å²	92.9	71%	0.71	44%	0.442	S	S	*	.	S	Bend	trans	-89.2	123.8	168.7	-169.9	179.1	174.6	0	0	110	K96 I100	K96-E98 PolarHBondContact O-N 3.43Å; E98-I100 PolarHBondContact O-N 3.19Å
99	R	84.5	Confident	84.1	Confident	179 Å²	179	94.5 Å²	94.5	68%	0.675	45%	0.449	S	S	*	.			trans	-60.1	126.1	-179.8	-175.1	-179.3	-179.7	167.5	1.3	110.8	P93 H101	P93-R99 WeakPolarHBondContact O-CA 3.5Å; P93-R99 WeakPolarHBondContact O-CG 3.46Å; R99-H101 PolarHBondContact O-N 3.43Å; R99-H101 VanDerWaalsContact O-N 3.07Å
100	I	84	Confident	83.8	Confident	23 Å²	23	99.1 Å²	99.1	12%	0.118	47%	0.473	C	S	.	.			trans	-73.2	105.7	178.8	-59.2	167.4	0	0	0	109.1	Y91 P93 K96 E98 V108	Y91-I100 HydrophobicContact CD1-CD1 4.46Å; Y91-I100 HydrophobicContact CG-CD1 4.43Å; P93-I100 PolarHBondContact O-N 2.96Å; K96-I100 HydrophobicContact CG-CD1 4.35Å; E98-I100 PolarHBondContact O-N 3.19Å; I100-V108 HydrophobicContact CD1-CG1 4.02Å; I100-V108 HydrophobicContact CD1-CG2 3.94Å; I100-V108 HydrophobicContact CG1-CG2 3.95Å; I100-V108 HydrophobicContact CG2-CB 4.32Å; I100-V108 HydrophobicContact CG2-CG1 4.34Å; I100-V108 HydrophobicContact CG2-CG2 3.81Å
101	H	79.8	Confident	83.5	Confident	122 Å²	122	94.5 Å²	94.5	57%	0.565	46%	0.458	S	S	*	.			trans	-83.6	142	177.9	-123.2	-92.5	0	0	0	111.3	R99 A103 R104	R99-H101 PolarHBondContact O-N 3.43Å; R99-H101 VanDerWaalsContact O-N 3.07Å; H101-A103 PolarHBondContact O-N 3.02Å; H101-A103 VanDerWaalsContact O-N 3.08Å; H101-R104 CarbonylContact O-C 3.59Å; H101-R104 PolarHBondContact O-N 3.41Å; H101-R104 VanDerWaalsContact O-N 3.1Å
102	R	73.2	Confident	83.4	Confident	208 Å²	208	95.1 Å²	95.1	79%	0.785	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-56.1	-29.4	178.5	-67.3	-169.3	179.3	-151.9	1.8	113.5
103	A	68.3	Low	83.4	Confident	90 Å²	90	96.9 Å²	96.9	74%	0.744	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-79.9	-19.2	-177.4	0	0	0	0	0	114.3	H101	H101-A103 PolarHBondContact O-N 3.02Å; H101-A103 VanDerWaalsContact O-N 3.08Å
104	R	63.4	Low	83.5	Confident	196 Å²	196	99.9 Å²	99.9	74%	0.74	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-123.1	52.5	179.2	-77.2	-158.9	-93.4	-138	-0	110.4	H101	H101-R104 CarbonylContact O-C 3.59Å; H101-R104 PolarHBondContact O-N 3.41Å; H101-R104 VanDerWaalsContact O-N 3.1Å
105	R	76.8	Confident	83.5	Confident	113 Å²	113	92.7 Å²	92.7	43%	0.426	45%	0.453	S	S	.	.			trans	-82.7	-14.9	-179.2	-87.3	-173	-175.7	-179.4	-0.1	113.8	S107 V108 L109	R105-S107 PolarHBondContact O-N 2.97Å; R105-V108 PolarHBondContact O-N 3.45Å; R105-V108 VanDerWaalsContact O-N 3.11Å; R105-L109 HydrophobicContact CB-CD1 3.87Å; R105-L109 HydrophobicContact CB-CG 4.07Å; R105-L109 WeakPolarHBondContact O-CB 3.43Å; R105-L109 WeakPolarHBondContact O-CG 3.24Å; R105-L109 PolarHBondContact O-N 3.43Å
106	D	80.2	Confident	83.7	Confident	120 Å²	120	95.7 Å²	95.7	64%	0.642	47%	0.465	S	S	*	.	H	α-helix	trans	-57.7	-46.4	-168.9	-56.9	-18	0	0	0	112.8	V108 L109 D110	D106-V108 PolarHBondContact O-N 3.15Å; D106-L109 PolarHBondContact O-N 2.88Å; D106-D110 PolarHBondContact O-N 3.24Å
107	S	79.9	Confident	84	Confident	74 Å²	74	101.1 Å²	101.1	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-38.7	177.9	57.4	0	0	0	0	113.3	R105 D110 E111	R105-S107 PolarHBondContact O-N 2.97Å; S107-D110 PolarHBondContact O-N 2.94Å; S107-E111 PolarHBondContact O-N 3.23Å
108	V	83.7	Confident	84.4	Confident	10 Å²	10	97.1 Å²	97.1	6%	0.061	45%	0.452	C	S	.	.	H	α-helix	trans	-71.9	-37	177.8	178.3	0	0	0	0	110.8	Y91 I100 R105 D106 D110 E111 E112	Y91-V108 HydrophobicContact CD2-CG1 4.1Å; Y91-V108 HydrophobicContact CG-CG1 4.13Å; I100-V108 HydrophobicContact CD1-CG1 4.02Å; I100-V108 HydrophobicContact CD1-CG2 3.94Å; I100-V108 HydrophobicContact CG1-CG2 3.95Å; I100-V108 HydrophobicContact CG2-CB 4.32Å; I100-V108 HydrophobicContact CG2-CG1 4.34Å; I100-V108 HydrophobicContact CG2-CG2 3.81Å; R105-V108 PolarHBondContact O-N 3.45Å; R105-V108 VanDerWaalsContact O-N 3.11Å; D106-V108 PolarHBondContact O-N 3.15Å; V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 PolarHBondContact O-N 2.85Å; V108-E111 PolarHBondContact O-N 3.38Å; V108-E112 HydrophobicContact CG1-CG 4.33Å; V108-E112 WeakPolarHBondContact O-CB 3.39Å; V108-E112 WeakPolarHBondContact O-CG 3.49Å; V108-E112 PolarHBondContact O-N 3.02Å
109	L	86.6	Confident	84.8	Confident	73 Å²	73	89.9 Å²	89.9	38%	0.382	42%	0.419	S	S	.	.	H	α-helix	trans	-63.7	-36	175.9	-72.7	169.8	0	0	0	111.3	R105 D106 S113	R105-L109 HydrophobicContact CB-CD1 3.87Å; R105-L109 HydrophobicContact CB-CG 4.07Å; R105-L109 WeakPolarHBondContact O-CB 3.43Å; R105-L109 WeakPolarHBondContact O-CG 3.24Å; R105-L109 PolarHBondContact O-N 3.43Å; D106-L109 PolarHBondContact O-N 2.88Å; L109-S113 WeakPolarHBondContact O-CB 3.19Å; L109-S113 PolarHBondContact O-N 2.66Å; L109-S113 PolarHBondContact O-OG 3.47Å
110	D	88.9	Confident	85.3	Confident	105 Å²	105	84.4 Å²	84.4	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-64.8	-43.9	174.1	-74.2	-20.4	0	0	0	111.5	D106 S107 V108 S113 K114	D106-D110 PolarHBondContact O-N 3.24Å; S107-D110 PolarHBondContact O-N 2.94Å; V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 PolarHBondContact O-N 2.85Å; D110-S113 PolarHBondContact O-N 3.25Å; D110-K114 WeakPolarHBondContact O-CG 3.2Å; D110-K114 PolarHBondContact O-N 3.18Å
111	E	88.5	Confident	85.7	Confident	61 Å²	61	87.7 Å²	87.7	29%	0.285	42%	0.422	S	S	.	.	H	α-helix	trans	-65.4	-45.9	175.4	-69	174.6	-179.9	0	0	112.5	K96 S107 V108 S113 K114 I115	K96-E111 VanDerWaalsContact CE-OE2 3.25Å; K96-E111 WeakPolarHBondContact CE-OE2 3.46Å; K96-E111 IonicContact NZ-OE1 2.81Å; K96-E111 PolarHBondContact NZ-OE1 3.15Å; K96-E111 IonicContact NZ-OE2 2.6Å; K96-E111 PolarHBondContact NZ-OE2 3.31Å; S107-E111 PolarHBondContact O-N 3.23Å; V108-E111 PolarHBondContact O-N 3.38Å; E111-S113 VanDerWaalsContact C-N 3.25Å; E111-S113 PolarHBondContact O-N 3.46Å; E111-K114 WeakPolarHBondContact O-CB 3.43Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 VanDerWaalsContact O-N 3.14Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 2.88Å
112	E	91.9	Very high	86.4	Confident	34 Å²	34	81.9 Å²	81.9	16%	0.159	40%	0.395	C	S	.	.	H	α-helix	trans	-55.6	-43.5	173.2	-76.1	177.9	172	0	0	111	V89 R90 Y91 V108 I115 K116	V89-E112 HydrophobicContact CB-CB 4.34Å; V89-E112 HydrophobicContact CB-CG 4.5Å; V89-E112 HydrophobicContact CG1-CG 4.28Å; R90-E112 WeakPolarHBondContact CA-OE1 3.35Å; Y91-E112 HydrophobicContact CD2-CG 3.5Å; Y91-E112 HydrophobicContact CE2-CG 4Å; Y91-E112 PolarHBondContact N-OE1 3.45Å; V108-E112 HydrophobicContact CG1-CG 4.33Å; V108-E112 WeakPolarHBondContact O-CB 3.39Å; V108-E112 WeakPolarHBondContact O-CG 3.49Å; V108-E112 PolarHBondContact O-N 3.02Å; E112-I115 PolarHBondContact O-N 2.86Å; E112-K116 VanDerWaalsContact O-CB 3.23Å; E112-K116 WeakPolarHBondContact O-CB 3.25Å; E112-K116 PolarHBondContact O-N 3.49Å
113	S	92.4	Very high	87.4	Confident	51 Å²	51	72 Å²	72	36%	0.357	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-38.2	178.4	-65.3	0	0	0	0	112.1	L109 D110 E111 R117	L109-S113 WeakPolarHBondContact O-CB 3.19Å; L109-S113 PolarHBondContact O-N 2.66Å; L109-S113 PolarHBondContact O-OG 3.47Å; D110-S113 PolarHBondContact O-N 3.25Å; E111-S113 VanDerWaalsContact C-N 3.25Å; E111-S113 PolarHBondContact O-N 3.46Å; S113-R117 VanDerWaalsContact O-CG 3.26Å; S113-R117 WeakPolarHBondContact O-CG 3.38Å; S113-R117 PolarHBondContact O-N 2.97Å
114	K	91.9	Very high	88.6	Confident	126 Å²	126	74 Å²	74	55%	0.548	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-53.2	173.4	-74.1	172.8	-176.4	-178.9	0	110.7	D110 E111 K116 R117 F118	D110-K114 WeakPolarHBondContact O-CG 3.2Å; D110-K114 PolarHBondContact O-N 3.18Å; E111-K114 WeakPolarHBondContact O-CB 3.43Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 VanDerWaalsContact O-N 3.14Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 3.06Å; K114-R117 PolarHBondContact O-N 2.84Å; K114-R117 VanDerWaalsContact O-N 3.11Å; K114-F118 WeakPolarHBondContact O-CD2 3.31Å; K114-F118 PolarHBondContact O-N 3.18Å
115	I	92.7	Very high	90	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-42.5	179.3	-63.3	173.9	0	0	0	110.5	V89 Y91 E111 E112 R117 F118 A119 A150 L151 A154	V89-I115 HydrophobicContact CG1-CB 4.32Å; V89-I115 HydrophobicContact CG1-CG2 4.15Å; V89-I115 HydrophobicContact CG2-CB 4.16Å; V89-I115 HydrophobicContact CG2-CG2 3.82Å; Y91-I115 HydrophobicContact CE2-CD1 3.95Å; Y91-I115 VanDerWaalsContact OH-CD1 3.27Å; Y91-I115 WeakPolarHBondContact OH-CD1 3.44Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 2.88Å; E112-I115 PolarHBondContact O-N 2.86Å; I115-R117 PolarHBondContact O-N 3.36Å; I115-F118 PolarHBondContact O-N 3.03Å; I115-A119 VanDerWaalsContact O-CB 3.3Å; I115-A119 WeakPolarHBondContact O-CB 3.49Å; I115-A119 PolarHBondContact O-N 2.92Å; I115-A150 HydrophobicContact CD1-CB 4.18Å; I115-L151 HydrophobicContact CB-CD1 4.38Å; I115-L151 HydrophobicContact CG1-CD1 4.19Å; I115-L151 HydrophobicContact CG2-CD1 4.17Å; I115-A154 HydrophobicContact CG2-CB 3.94Å
116	K	94.9	Very high	90.8	Very high	65 Å²	65	61.8 Å²	61.8	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-55.6	-50.1	174.9	172.6	175.1	177.7	146.7	0	111.6	D86 V87 V89 E112 K114 A119 Q120	D86-K116 IonicContact OD1-NZ 3.82Å; V87-K116 HydrophobicContact CB-CG 4.28Å; V87-K116 WeakPolarHBondContact O-CD 3.22Å; V87-K116 WeakPolarHBondContact O-CE 3.48Å; V87-K116 WeakPolarHBondContact O-CG 3.4Å; V87-K116 PolarHBondContact O-NZ 3.09Å; V89-K116 HydrophobicContact CG2-CB 4.05Å; E112-K116 VanDerWaalsContact O-CB 3.23Å; E112-K116 WeakPolarHBondContact O-CB 3.25Å; E112-K116 PolarHBondContact O-N 3.49Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 3.06Å; K116-A119 PolarHBondContact O-N 2.78Å; K116-Q120 WeakPolarHBondContact O-CG 3.43Å; K116-Q120 PolarHBondContact O-N 3.12Å
117	R	93.3	Very high	91.5	Very high	172 Å²	172	56.2 Å²	56.2	65%	0.649	28%	0.281	S	S	*	.	H	α-helix	trans	-61.9	-46.6	179.8	-73.1	171.6	-174.5	178.1	4.2	111.3	S113 K114 I115 A119 Q120 V121	S113-R117 VanDerWaalsContact O-CG 3.26Å; S113-R117 WeakPolarHBondContact O-CG 3.38Å; S113-R117 PolarHBondContact O-N 2.97Å; K114-R117 PolarHBondContact O-N 2.84Å; K114-R117 VanDerWaalsContact O-N 3.11Å; I115-R117 PolarHBondContact O-N 3.36Å; R117-A119 PolarHBondContact O-N 3.12Å; R117-Q120 PolarHBondContact O-N 3.27Å; R117-V121 WeakPolarHBondContact O-CG2 3.43Å; R117-V121 PolarHBondContact O-N 2.97Å
118	F	92.7	Very high	92.1	Very high	54 Å²	54	57.3 Å²	57.3	24%	0.237	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-45.4	177.1	-79.8	-69.1	0	0	0	112.2	K114 I115 Q120 V121 A122 L151 H205	K114-F118 WeakPolarHBondContact O-CD2 3.31Å; K114-F118 PolarHBondContact O-N 3.18Å; I115-F118 PolarHBondContact O-N 3.03Å; F118-Q120 VanDerWaalsContact C-N 3.33Å; F118-Q120 PolarHBondContact O-N 3.36Å; F118-V121 PolarHBondContact O-N 2.93Å; F118-A122 WeakPolarHBondContact O-CB 3.36Å; F118-A122 PolarHBondContact O-N 2.98Å; F118-L151 HydrophobicContact CB-CD1 3.63Å; F118-L151 HydrophobicContact CD2-CD1 4.14Å; F118-L151 HydrophobicContact CD2-CD2 4.25Å; F118-L151 HydrophobicContact CG-CD1 4.08Å; F118-L151 HydrophobicContact CG-CD2 4.38Å; F118-H205 HydrophobicContact CE1-CB 3.88Å; F118-H205 AromaticContact CE1-CD2 3.72Å; F118-H205 AromaticContact CE1-CG 3.87Å; F118-H205 HydrophobicContact CZ-CB 4.22Å; F118-H205 AromaticContact CZ-CD2 3.37Å; F118-H205 WeakPolarHBondContact CZ-CD2 3.4Å; F118-H205 AromaticContact CZ-CG 3.71Å; F118-H205 AromaticContact CZ-NE2 3.69Å
119	A	94.1	Very high	92.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-41.4	177	0	0	0	0	0	112.5	V87 I115 K116 R117 L123 I141 L155	V87-A119 HydrophobicContact CG1-CB 3.98Å; V87-A119 HydrophobicContact CG2-CB 4.46Å; I115-A119 VanDerWaalsContact O-CB 3.3Å; I115-A119 WeakPolarHBondContact O-CB 3.49Å; I115-A119 PolarHBondContact O-N 2.92Å; K116-A119 PolarHBondContact O-N 2.78Å; R117-A119 PolarHBondContact O-N 3.12Å; A119-L123 HydrophobicContact CB-CD1 4.47Å; A119-L123 WeakPolarHBondContact O-CB 3.39Å; A119-L123 VanDerWaalsContact O-CG 3.29Å; A119-L123 WeakPolarHBondContact O-CG 3.31Å; A119-L123 PolarHBondContact O-N 3.43Å; A119-I141 HydrophobicContact CB-CD1 4.34Å; A119-L155 HydrophobicContact CB-CD2 4.05Å
120	Q	93.7	Very high	92.8	Very high	64 Å²	64	59.6 Å²	59.6	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-48	175.5	-74.7	179.1	-40.3	0	0	112.1	V87 K116 R117 F118 F124	V87-Q120 HydrophobicContact CB-CG 3.99Å; V87-Q120 HydrophobicContact CG2-CG 3.64Å; K116-Q120 WeakPolarHBondContact O-CG 3.43Å; K116-Q120 PolarHBondContact O-N 3.12Å; R117-Q120 PolarHBondContact O-N 3.27Å; F118-Q120 VanDerWaalsContact C-N 3.33Å; F118-Q120 PolarHBondContact O-N 3.36Å; Q120-F124 WeakPolarHBondContact O-CB 3.3Å; Q120-F124 PolarHBondContact O-N 3.43Å; Q120-F124 VanDerWaalsContact O-N 3.09Å
121	V	93.9	Very high	92.8	Very high	92 Å²	92	61 Å²	61	56%	0.558	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-44.4	-179.9	174	0	0	0	0	111.3	R117 F118 P125	R117-V121 WeakPolarHBondContact O-CG2 3.43Å; R117-V121 PolarHBondContact O-N 2.97Å; F118-V121 PolarHBondContact O-N 2.93Å; V121-P125 WeakPolarHBondContact O-CD 3.41Å
122	A	94.2	Very high	92.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70	-42.8	-176.5	0	0	0	0	0	112.5	F118 P125 L155 L173 C202	F118-A122 WeakPolarHBondContact O-CB 3.36Å; F118-A122 PolarHBondContact O-N 2.98Å; A122-P125 WeakPolarHBondContact O-CD 3.21Å; A122-P125 WeakPolarHBondContact O-CG 3.12Å; A122-L155 HydrophobicContact CB-CD2 3.7Å; A122-L173 VanDerWaalsContact C-CD1 3.45Å; A122-L173 HydrophobicContact CB-CD1 3.83Å; A122-L173 WeakPolarHBondContact O-CD1 3.34Å; A122-C202 WeakPolarHBondContact O-CB 3.37Å
123	L	94.4	Very high	92.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-83.1	-20.6	-176.6	-65.4	168.9	0	0	0	113.6	L85 A119 A126 V127 L139 L162 L173	L85-L123 HydrophobicContact CD2-CB 3.68Å; L85-L123 HydrophobicContact CD2-CD1 4.46Å; A119-L123 HydrophobicContact CB-CD1 4.47Å; A119-L123 WeakPolarHBondContact O-CB 3.39Å; A119-L123 VanDerWaalsContact O-CG 3.29Å; A119-L123 WeakPolarHBondContact O-CG 3.31Å; A119-L123 PolarHBondContact O-N 3.43Å; L123-A126 PolarHBondContact O-N 3.12Å; L123-V127 PolarHBondContact O-N 2.91Å; L123-L139 HydrophobicContact CD1-CD1 3.63Å; L123-L162 HydrophobicContact CD1-CD1 4.3Å; L123-L162 HydrophobicContact CD2-CD1 4.09Å; L123-L173 HydrophobicContact CD2-CB 4.18Å; L123-L173 HydrophobicContact CD2-CD1 4.22Å; L123-L173 HydrophobicContact CD2-CD2 4.42Å
124	F	92	Very high	92.4	Very high	133 Å²	133	65.9 Å²	65.9	58%	0.583	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-50.1	177.9	-179.8	-96.1	0	0	0	113.9	Q120 A126 L129	Q120-F124 WeakPolarHBondContact O-CB 3.3Å; Q120-F124 PolarHBondContact O-N 3.43Å; Q120-F124 VanDerWaalsContact O-N 3.09Å; F124-A126 VanDerWaalsContact C-N 3.32Å; F124-A126 PolarHBondContact O-N 3.22Å; F124-L129 HydrophobicContact CD2-CD1 3.59Å; F124-L129 HydrophobicContact CE2-CD1 3.74Å
125	P	92.5	Very high	92.2	Very high	52 Å²	52	64.4 Å²	64.4	34%	0.338	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.1	175.8	29.2	-37.2	0	0	0	113.6	V121 A122 F170 C202	V121-P125 WeakPolarHBondContact O-CD 3.41Å; A122-P125 WeakPolarHBondContact O-CD 3.21Å; A122-P125 WeakPolarHBondContact O-CG 3.12Å; P125-F170 VanDerWaalsContact O-CD2 3.26Å; P125-F170 WeakPolarHBondContact O-CD2 3.28Å; P125-C202 HydrophobicContact CG-CB 3.78Å; P125-C202 VanDerWaalsContact CG-SG 3.52Å
126	A	93.8	Very high	92.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-34.2	-179.4	0	0	0	0	0	112.5	L123 F124 M169 F170 L173 L195	L123-A126 PolarHBondContact O-N 3.12Å; F124-A126 VanDerWaalsContact C-N 3.32Å; F124-A126 PolarHBondContact O-N 3.22Å; A126-M169 HydrophobicContact CB-CE 4.41Å; A126-M169 CarbonylContact O-C 3.54Å; A126-M169 VanDerWaalsContact O-CA 3.26Å; A126-M169 WeakPolarHBondContact O-CA 3.37Å; A126-M169 WeakPolarHBondContact O-CB 3.44Å; A126-F170 PolarHBondContact O-N 3.43Å; A126-L173 HydrophobicContact CB-CB 4.37Å; A126-L173 HydrophobicContact CB-CD1 4.48Å; A126-L195 HydrophobicContact CB-CD2 3.87Å
127	V	94.5	Very high	92.1	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.018	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-95.7	132.5	-175.2	-178	0	0	0	0	111.4	L123 L129 I137 L162 I167 M169	L123-V127 PolarHBondContact O-N 2.91Å; V127-L129 HydrophobicContact CB-CD2 4.37Å; V127-L129 HydrophobicContact CB-CG 4.36Å; V127-L129 HydrophobicContact CG1-CD2 3.76Å; V127-L129 HydrophobicContact CG1-CG 4.14Å; V127-L129 PolarHBondContact O-N 3.14Å; V127-I137 HydrophobicContact CG1-CD1 4.32Å; V127-L162 HydrophobicContact CG2-CD1 3.58Å; V127-I167 HydrophobicContact CG1-CG2 4Å; V127-M169 HydrophobicContact CG2-CG 4.36Å
128	R	93.7	Very high	92.2	Very high	97 Å²	97	56.8 Å²	56.8	37%	0.366	27%	0.266	S	S	.	.			trans	-79.9	67.3	178.8	-166.1	171.5	178.7	172.6	6.2	112.2	L130 R131 Q168 F170	R128-L130 PolarHBondContact O-N 3.41Å; R128-L130 VanDerWaalsContact O-N 3.14Å; R128-R131 HydrophobicContact CG-CG 4.13Å; R128-R131 PolarHBondContact O-N 2.91Å; R128-R131 VanDerWaalsContact O-N 3.08Å; R128-Q168 HydrophobicContact CB-CB 4.49Å; R128-Q168 WeakPolarHBondContact CB-O 3.39Å; R128-Q168 PolarHBondContact N-O 3.06Å; R128-F170 HydrophobicContact CB-CE2 4.09Å; R128-F170 HydrophobicContact CB-CZ 4.19Å; R128-F170 HydrophobicContact CG-CE1 4.49Å; R128-F170 HydrophobicContact CG-CE2 4.25Å; R128-F170 HydrophobicContact CG-CZ 3.9Å
129	L	91.9	Very high	92.3	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.9	-27.9	-176.5	-65.3	175.1	0	0	0	113.8	G83 L85 F124 V127 R131 Y132 I137	G83-L129 PolarHBondContact N-O 3.02Å; L85-L129 HydrophobicContact CB-CD1 4.33Å; L85-L129 HydrophobicContact CB-CD2 4.15Å; F124-L129 HydrophobicContact CD2-CD1 3.59Å; F124-L129 HydrophobicContact CE2-CD1 3.74Å; V127-L129 HydrophobicContact CB-CD2 4.37Å; V127-L129 HydrophobicContact CB-CG 4.36Å; V127-L129 HydrophobicContact CG1-CD2 3.76Å; V127-L129 HydrophobicContact CG1-CG 4.14Å; V127-L129 PolarHBondContact O-N 3.14Å; L129-R131 PolarHBondContact O-N 2.96Å; L129-R131 VanDerWaalsContact O-N 3.13Å; L129-Y132 PolarHBondContact O-N 3.04Å; L129-I137 HydrophobicContact CD2-CD1 4.2Å
130	L	91.9	Very high	92.4	Very high	123 Å²	123	56.4 Å²	56.4	64%	0.644	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-57	-25.4	175.5	-75.8	160.8	0	0	0	113.8	T82 R128 Y132	T82-L130 HydrophobicContact CG2-CD2 3.62Å; T82-L130 HydrophobicContact CG2-CG 4.21Å; R128-L130 PolarHBondContact O-N 3.41Å; R128-L130 VanDerWaalsContact O-N 3.14Å; L130-Y132 VanDerWaalsContact C-N 3.28Å; L130-Y132 PolarHBondContact O-N 3.4Å
131	R	90.8	Very high	92.6	Very high	133 Å²	133	53.3 Å²	53.3	50%	0.502	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-81.3	-6	177.9	-79.5	-170.7	170.6	-155	-1.7	114.2	R128 L129 P133 Q168	R128-R131 HydrophobicContact CG-CG 4.13Å; R128-R131 PolarHBondContact O-N 2.91Å; R128-R131 VanDerWaalsContact O-N 3.08Å; L129-R131 PolarHBondContact O-N 2.96Å; L129-R131 VanDerWaalsContact O-N 3.13Å; R131-P133 WeakPolarHBondContact O-CD 3.13Å; R131-Q168 VanDerWaalsContact CZ-OE1 3.32Å
132	Y	89.5	Confident	92.7	Very high	32 Å²	32	51.2 Å²	51.2	13%	0.125	24%	0.237	C	C	.	.	S	Bend	trans	-122.5	55.2	-175.5	-58.3	-75.7	0	0	0	112	P66 G83 L129 L130 K134 R135 I137 I167 Q168	P66-Y132 HydrophobicContact CB-CD1 4.01Å; P66-Y132 HydrophobicContact CB-CE1 4.38Å; P66-Y132 HydrophobicContact CG-CD1 4.11Å; P66-Y132 HydrophobicContact CG-CE1 4.05Å; G83-Y132 WeakPolarHBondContact CA-O 3.22Å; G83-Y132 PolarHBondContact N-O 3.01Å; L129-Y132 PolarHBondContact O-N 3.04Å; L130-Y132 VanDerWaalsContact C-N 3.28Å; L130-Y132 PolarHBondContact O-N 3.4Å; Y132-K134 PolarHBondContact O-N 3.1Å; Y132-R135 WeakPolarHBondContact O-CB 3.31Å; Y132-R135 PolarHBondContact O-N 3.29Å; Y132-R135 VanDerWaalsContact O-N 3.16Å; Y132-I137 HydrophobicContact CD2-CD1 4.1Å; Y132-I137 HydrophobicContact CE2-CD1 4.41Å; Y132-I137 HydrophobicContact CG-CD1 4.45Å; Y132-I167 HydrophobicContact CE2-CG2 4.08Å; Y132-Q168 PolarHBondContact OH-N 2.97Å; Y132-Q168 VanDerWaalsContact OH-N 3.1Å
133	P	87.7	Confident	92.7	Very high	68 Å²	68	51.2 Å²	51.2	44%	0.442	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	138	-178.1	27.6	-35.5	0	0	0	111.2	R131 R135	R131-P133 WeakPolarHBondContact O-CD 3.13Å; P133-R135 PolarHBondContact O-N 2.75Å
134	K	85.6	Confident	92.8	Very high	149 Å²	149	53 Å²	53	65%	0.648	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	15.8	-178.3	-51.4	178.1	-178.5	179	0	114.7	K69 Y132	K69-K134 PolarHBondContact N-O 3.22Å; Y132-K134 PolarHBondContact O-N 3.1Å
135	R	89.2	Confident	92.9	Very high	95 Å²	95	50 Å²	50	36%	0.358	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	152.9	174.9	-58.6	-64.2	-177.4	144.8	-0.5	110.5	P66 S67 G83 V84 Y132 P133	P66-R135 HydrophobicContact CB-CB 4.16Å; P66-R135 HydrophobicContact CB-CG 4.48Å; S67-R135 CarbonylContact O-C 3.55Å; S67-R135 VanDerWaalsContact O-CA 3.25Å; S67-R135 WeakPolarHBondContact O-CA 3.24Å; S67-R135 WeakPolarHBondContact O-CD 3.39Å; G83-R135 WeakPolarHBondContact CA-O 3.36Å; V84-R135 PolarHBondContact N-O 2.7Å; Y132-R135 WeakPolarHBondContact O-CB 3.31Å; Y132-R135 PolarHBondContact O-N 3.29Å; Y132-R135 VanDerWaalsContact O-N 3.16Å; P133-R135 PolarHBondContact O-N 2.75Å
136	Q	91.1	Very high	92.8	Very high	28 Å²	28	48.8 Å²	48.8	13%	0.131	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.1	175	-173.4	179.6	-10.4	0	0	108.9	S67 K69 V84 D86 Q138	S67-Q136 PolarHBondContact N-O 2.66Å; S67-Q136 PolarHBondContact O-N 2.7Å; K69-Q136 HydrophobicContact CB-CB 4.49Å; V84-Q136 WeakPolarHBondContact O-CA 3.31Å; D86-Q136 HydrophobicContact CB-CG 4.23Å; D86-Q136 PolarHBondContact OD2-NE2 3.16Å; Q136-Q138 HydrophobicContact CG-CG 4Å
137	I	94	Very high	92.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.7	169	-62.5	161.1	0	0	0	105.6	V63 P66 V84 L85 D86 V127 L129 Y132 L162 I167	V63-I137 HydrophobicContact CG1-CG2 4.03Å; P66-I137 HydrophobicContact CB-CG1 4.24Å; V84-I137 PolarHBondContact O-N 3.04Å; L85-I137 HydrophobicContact CD1-CB 4.06Å; L85-I137 HydrophobicContact CD1-CG2 3.86Å; D86-I137 PolarHBondContact N-O 3.02Å; V127-I137 HydrophobicContact CG1-CD1 4.32Å; L129-I137 HydrophobicContact CD2-CD1 4.2Å; Y132-I137 HydrophobicContact CD2-CD1 4.1Å; Y132-I137 HydrophobicContact CE2-CD1 4.41Å; Y132-I137 HydrophobicContact CG-CD1 4.45Å; I137-L162 HydrophobicContact CG2-CD2 4.01Å; I137-I167 HydrophobicContact CB-CD1 4.44Å; I137-I167 HydrophobicContact CD1-CD1 4.03Å; I137-I167 HydrophobicContact CD1-CG2 3.94Å; I137-I167 HydrophobicContact CG1-CD1 4.03Å; I137-I167 HydrophobicContact CG2-CD1 3.55Å
138	Q	94.3	Very high	91.8	Very high	59 Å²	59	54.5 Å²	54.5	28%	0.276	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	178.6	-67.2	177.9	5	0	0	109.3	I64 D86 Q136	I64-Q138 HydrophobicContact CB-CB 4.15Å; I64-Q138 PolarHBondContact N-O 2.98Å; I64-Q138 PolarHBondContact O-N 2.89Å; D86-Q138 HydrophobicContact CB-CG 4.33Å; D86-Q138 CarbonylContact O-C 3.57Å; D86-Q138 WeakPolarHBondContact O-CA 3.48Å; Q136-Q138 HydrophobicContact CG-CG 4Å
139	L	95.8	Very high	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.5	172.6	-66.6	-178.3	0	0	0	109.4	V63 L85 D86 V87 T88 L123 L162	V63-L139 HydrophobicContact CB-CD2 4.17Å; V63-L139 HydrophobicContact CG1-CD2 4.06Å; V63-L139 HydrophobicContact CG2-CD2 3.53Å; L85-L139 HydrophobicContact CD1-CD1 3.76Å; L85-L139 HydrophobicContact CD1-CG 3.94Å; L85-L139 HydrophobicContact CD2-CD1 4.41Å; L85-L139 HydrophobicContact CG-CD1 4.38Å; D86-L139 PolarHBondContact O-N 3.03Å; V87-L139 HydrophobicContact CG1-CB 4.49Å; V87-L139 HydrophobicContact CG2-CB 4.3Å; V87-L139 HydrophobicContact CG2-CD1 4.25Å; T88-L139 PolarHBondContact N-O 3.46Å; L123-L139 HydrophobicContact CD1-CD1 3.63Å; L139-L162 HydrophobicContact CD1-CD1 4Å; L139-L162 HydrophobicContact CD1-CD2 4.29Å; L139-L162 HydrophobicContact CD1-CG 4.15Å; L139-L162 HydrophobicContact CD2-CD2 3.69Å; L139-L162 HydrophobicContact CD2-CG 3.86Å; L139-L162 HydrophobicContact CG-CD2 4.35Å
140	L	96.3	Very high	91.3	Very high	46 Å²	46	50 Å²	50	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	110.8	174.8	-60.2	178.9	0	0	0	108.4	C61 F62 I64 T88	C61-L140 CarbonylContact C-O 3.54Å; C61-L140 VanDerWaalsContact CA-O 3.28Å; C61-L140 WeakPolarHBondContact CA-O 3.47Å; F62-L140 HydrophobicContact CB-CB 4.3Å; F62-L140 PolarHBondContact N-O 3.43Å; F62-L140 PolarHBondContact O-N 3.26Å; I64-L140 HydrophobicContact CD1-CD1 3.45Å; I64-L140 VanDerWaalsContact CD1-CD1 3.45Å; I64-L140 HydrophobicContact CD1-CG 4.22Å; I64-L140 HydrophobicContact CG1-CD1 4.28Å; T88-L140 HydrophobicContact CG2-CD2 4.21Å; T88-L140 WeakPolarHBondContact O-CA 3.23Å
141	I	96.8	Very high	91.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.9	178.9	-56.5	170.7	0	0	0	107.5	V59 V87 T88 V89 R90 A119 A154 S158	V59-I141 HydrophobicContact CG1-CG2 3.69Å; V87-I141 HydrophobicContact CG1-CD1 3.69Å; V87-I141 HydrophobicContact CG1-CG1 4.44Å; T88-I141 PolarHBondContact O-N 2.76Å; V89-I141 CarbonylContact C-O 3.58Å; V89-I141 WeakPolarHBondContact CA-O 3.45Å; V89-I141 HydrophobicContact CG2-CB 4.28Å; V89-I141 HydrophobicContact CG2-CD1 4.16Å; R90-I141 PolarHBondContact N-O 2.76Å; A119-I141 HydrophobicContact CB-CD1 4.34Å; I141-A154 HydrophobicContact CD1-CB 4.32Å; I141-A154 HydrophobicContact CG2-CB 3.67Å; I141-S158 WeakPolarHBondContact CD1-OG 3.37Å; I141-S158 WeakPolarHBondContact CG1-OG 3.34Å
142	N	96.3	Very high	91.3	Very high	48 Å²	48	40.2 Å²	40.2	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.8	176.5	-67.9	-21.7	0	0	0	109.2	M60 R90	M60-N142 PolarHBondContact N-O 3.47Å; M60-N142 PolarHBondContact O-N 3.31Å; R90-N142 CarbonylContact O-C 3.57Å; R90-N142 WeakPolarHBondContact O-CA 3.26Å
143	V	95.4	Very high	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.9	174.2	-175.7	0	0	0	0	107.9	V59 V89 R90 Y91 A92 D146 A150	V59-V143 HydrophobicContact CG2-CG1 4.31Å; V59-V143 HydrophobicContact CG2-CG2 4.3Å; V89-V143 HydrophobicContact CG1-CG2 4.4Å; R90-V143 PolarHBondContact O-N 3.38Å; Y91-V143 HydrophobicContact CD1-CB 3.87Å; Y91-V143 HydrophobicContact CD1-CG1 3.81Å; Y91-V143 HydrophobicContact CD2-CB 4.46Å; Y91-V143 HydrophobicContact CD2-CG2 4.47Å; Y91-V143 HydrophobicContact CE1-CB 3.95Å; Y91-V143 HydrophobicContact CE1-CG1 3.59Å; Y91-V143 HydrophobicContact CE1-CG2 4.31Å; Y91-V143 HydrophobicContact CE2-CG2 4.22Å; Y91-V143 HydrophobicContact CG-CB 4.15Å; A92-V143 WeakPolarHBondContact CB-O 3.42Å; A92-V143 PolarHBondContact N-O 3.19Å; V143-D146 HydrophobicContact CG1-CB 4.01Å; V143-A150 HydrophobicContact CG1-CB 4.11Å; V143-A150 HydrophobicContact CG2-CB 4.42Å
144	L	94.9	Very high	91.7	Very high	38 Å²	38	35.5 Å²	35.5	20%	0.199	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-36.8	-176.6	-60.5	-176.7	0	0	0	112.3	Y51 K58 M60 A95	Y51-L144 HydrophobicContact CE2-CD1 4.08Å; K58-L144 HydrophobicContact CB-CB 4.1Å; K58-L144 WeakPolarHBondContact O-CB 3.16Å; K58-L144 PolarHBondContact O-N 3.03Å; M60-L144 HydrophobicContact CE-CD1 3.77Å; M60-L144 HydrophobicContact CE-CD2 3.95Å; M60-L144 HydrophobicContact CE-CG 4.26Å; M60-L144 HydrophobicContact CG-CD1 4.02Å; M60-L144 HydrophobicContact SD-CD1 4.22Å; A95-L144 VanDerWaalsContact CA-O 3.23Å; A95-L144 WeakPolarHBondContact CA-O 3.24Å
145	E	94	Very high	92.2	Very high	68 Å²	68	28.5 Å²	28.5	32%	0.318	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	132.8	179.8	-168.5	173.3	172.8	0	0	107.2	K56 T57 K58 A95	K56-E145 WeakPolarHBondContact O-CB 3.4Å; K56-E145 WeakPolarHBondContact O-CG 3.45Å; T57-E145 CarbonylContact C-O 3.59Å; T57-E145 VanDerWaalsContact CA-O 3.28Å; T57-E145 WeakPolarHBondContact CA-O 3.37Å; T57-E145 WeakPolarHBondContact CG2-O 3.25Å; K58-E145 HydrophobicContact CB-CB 4.09Å; K58-E145 HydrophobicContact CD-CB 4.31Å; K58-E145 WeakPolarHBondContact CD-OE2 3.49Å; K58-E145 WeakPolarHBondContact CE-OE2 3.46Å; K58-E145 HydrophobicContact CG-CB 4.35Å; K58-E145 PolarHBondContact N-O 3.36Å; K58-E145 IonicContact NZ-OE2 2.75Å; K58-E145 PolarHBondContact NZ-OE2 3.42Å; K58-E145 PolarHBondContact O-N 3.05Å; A95-E145 CarbonylContact O-C 3.57Å; A95-E145 WeakPolarHBondContact O-CA 3.21Å
146	D	90.5	Very high	92.4	Very high	28 Å²	28	24 Å²	24	15%	0.15	13%	0.132	C	C	.	.			trans	-125.6	116.5	-178.6	-172.3	9.5	0	0	0	110.8	Y91 A95 V143 G148 A150	Y91-D146 HydrophobicContact CE1-CB 3.83Å; Y91-D146 VanDerWaalsContact CE1-OD2 3.28Å; Y91-D146 WeakPolarHBondContact CE1-OD2 3.46Å; Y91-D146 PolarHBondContact OH-OD2 3.34Å; A95-D146 PolarHBondContact O-N 3.47Å; V143-D146 HydrophobicContact CG1-CB 4.01Å; D146-G148 PolarHBondContact OD1-N 3.46Å; D146-A150 HydrophobicContact CB-CB 4.27Å; D146-A150 VanDerWaalsContact CG-CB 3.41Å; D146-A150 VanDerWaalsContact OD1-CB 3.25Å; D146-A150 WeakPolarHBondContact OD1-CB 3.49Å; D146-A150 PolarHBondContact OD1-N 3.48Å; D146-A150 WeakPolarHBondContact OD2-CB 3.41Å
147	D	86.5	Confident	92.6	Very high	84 Å²	84	22.7 Å²	22.7	45%	0.449	13%	0.126	S	C	.	.	S	Bend	trans	-116.9	25.2	177.4	-160.7	36.2	0	0	0	110.8	K56 T57	K56-D147 HydrophobicContact CB-CB 3.84Å; K56-D147 WeakPolarHBondContact CD-OD2 3.31Å; T57-D147 WeakPolarHBondContact OG1-CB 3.34Å; T57-D147 PolarHBondContact OG1-N 2.97Å
148	G	82.5	Confident	92.6	Very high	39 Å²	39	22.7 Å²	22.7	40%	0.402	13%	0.126	S	C	.	.	S	Bend	trans	101.6	-3.3	178.2	0	0	0	0	0	115	D146	D146-G148 PolarHBondContact OD1-N 3.46Å
149	N	82.7	Confident	92.7	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.043	11%	0.113	C	C	.	.			trans	-108.9	8.6	-177	-57.6	-17.7	0	0	0	113.3	P28 V54 T57 L151 I152 A153	P28-N149 WeakPolarHBondContact CB-OD1 3.47Å; P28-N149 WeakPolarHBondContact CD-OD1 3.34Å; P28-N149 WeakPolarHBondContact CG-OD1 3.4Å; V54-N149 HydrophobicContact CB-CB 4.31Å; V54-N149 HydrophobicContact CG1-CB 4.26Å; V54-N149 WeakPolarHBondContact CG1-ND2 3.49Å; T57-N149 HydrophobicContact CG2-CB 4.17Å; N149-L151 VanDerWaalsContact C-N 3.26Å; N149-L151 PolarHBondContact O-N 3.42Å; N149-L151 VanDerWaalsContact O-N 3.16Å; N149-I152 PolarHBondContact O-N 2.88Å; N149-A153 WeakPolarHBondContact O-CB 3.32Å; N149-A153 PolarHBondContact O-N 2.91Å
150	A	90.9	Very high	92.6	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-54.4	-39.1	-172.3	0	0	0	0	0	113.5	Y91 I115 V143 D146 A154	Y91-A150 WeakPolarHBondContact OH-CB 3.28Å; I115-A150 HydrophobicContact CD1-CB 4.18Å; V143-A150 HydrophobicContact CG1-CB 4.11Å; V143-A150 HydrophobicContact CG2-CB 4.42Å; D146-A150 HydrophobicContact CB-CB 4.27Å; D146-A150 VanDerWaalsContact CG-CB 3.41Å; D146-A150 VanDerWaalsContact OD1-CB 3.25Å; D146-A150 WeakPolarHBondContact OD1-CB 3.49Å; D146-A150 PolarHBondContact OD1-N 3.48Å; D146-A150 WeakPolarHBondContact OD2-CB 3.41Å; A150-A154 WeakPolarHBondContact O-CB 3.29Å; A150-A154 PolarHBondContact O-N 3.38Å
151	L	91.6	Very high	92.6	Very high	35 Å²	35	17.7 Å²	17.7	18%	0.183	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-49.2	180	176.4	60.6	0	0	0	112.4	I115 F118 N149 A154 L155 T191	I115-L151 HydrophobicContact CB-CD1 4.38Å; I115-L151 HydrophobicContact CG1-CD1 4.19Å; I115-L151 HydrophobicContact CG2-CD1 4.17Å; F118-L151 HydrophobicContact CB-CD1 3.63Å; F118-L151 HydrophobicContact CD2-CD1 4.14Å; F118-L151 HydrophobicContact CD2-CD2 4.25Å; F118-L151 HydrophobicContact CG-CD1 4.08Å; F118-L151 HydrophobicContact CG-CD2 4.38Å; N149-L151 VanDerWaalsContact C-N 3.26Å; N149-L151 PolarHBondContact O-N 3.42Å; N149-L151 VanDerWaalsContact O-N 3.16Å; L151-A154 PolarHBondContact O-N 2.95Å; L151-L155 HydrophobicContact CD1-CD1 4.19Å; L151-L155 HydrophobicContact CD1-CG 4.45Å; L151-L155 HydrophobicContact CG-CD1 4.28Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 3.16Å; L151-T191 HydrophobicContact CD2-CG2 4.22Å
152	I	91	Very high	92.5	Very high	16 Å²	16	17.7 Å²	17.7	8%	0.082	10%	0.101	C	C	.	.	H	α-helix	trans	-72.9	-44.4	-177.3	-76.3	156.5	0	0	0	111.2	N149 A154 L155 N156 S175 T177 T191	N149-I152 PolarHBondContact O-N 2.88Å; I152-A154 PolarHBondContact O-N 3.43Å; I152-L155 PolarHBondContact O-N 2.97Å; I152-N156 WeakPolarHBondContact CG2-ND2 3Å; I152-N156 WeakPolarHBondContact O-CB 3.49Å; I152-N156 PolarHBondContact O-N 3.36Å; I152-S175 WeakPolarHBondContact CA-OG 3.26Å; I152-S175 VanDerWaalsContact CG2-O 3.3Å; I152-S175 WeakPolarHBondContact CG2-O 3.37Å; I152-S175 WeakPolarHBondContact CG2-OG 3.29Å; I152-S175 PolarHBondContact O-OG 3.28Å; I152-T177 HydrophobicContact CD1-CG2 3.04Å; I152-T191 HydrophobicContact CD1-CG2 4.07Å; I152-T191 HydrophobicContact CG1-CG2 4.03Å
153	A	92.3	Very high	92.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57	-43	174.6	0	0	0	0	0	110.5	V54 T57 V59 N149 C157	V54-A153 HydrophobicContact CG2-CB 4.02Å; T57-A153 HydrophobicContact CG2-CB 3.96Å; V59-A153 HydrophobicContact CB-CB 4.21Å; V59-A153 HydrophobicContact CG2-CB 3.59Å; N149-A153 WeakPolarHBondContact O-CB 3.32Å; N149-A153 PolarHBondContact O-N 2.91Å; A153-C157 WeakPolarHBondContact O-CB 3.42Å; A153-C157 PolarHBondContact O-N 3.32Å
154	A	94.9	Very high	92.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-46.4	175	0	0	0	0	0	113.3	V59 I115 I141 A150 L151 I152 S158	V59-A154 HydrophobicContact CG1-CB 4.44Å; I115-A154 HydrophobicContact CG2-CB 3.94Å; I141-A154 HydrophobicContact CD1-CB 4.32Å; I141-A154 HydrophobicContact CG2-CB 3.67Å; A150-A154 WeakPolarHBondContact O-CB 3.29Å; A150-A154 PolarHBondContact O-N 3.38Å; L151-A154 PolarHBondContact O-N 2.95Å; I152-A154 PolarHBondContact O-N 3.43Å; A154-S158 VanDerWaalsContact O-CB 3.26Å; A154-S158 WeakPolarHBondContact O-CB 3.38Å; A154-S158 PolarHBondContact O-N 2.96Å; A154-S158 PolarHBondContact O-OG 2.94Å
155	L	94.3	Very high	92.3	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-50.1	179.5	-77	172	0	0	0	112.1	A119 A122 L151 I152 C157 S158 S159 L173 S175	A119-L155 HydrophobicContact CB-CD2 4.05Å; A122-L155 HydrophobicContact CB-CD2 3.7Å; L151-L155 HydrophobicContact CD1-CD1 4.19Å; L151-L155 HydrophobicContact CD1-CG 4.45Å; L151-L155 HydrophobicContact CG-CD1 4.28Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 3.16Å; I152-L155 PolarHBondContact O-N 2.97Å; L155-C157 VanDerWaalsContact C-N 3.34Å; L155-C157 PolarHBondContact O-N 3.36Å; L155-S158 PolarHBondContact O-N 2.94Å; L155-S159 PolarHBondContact O-N 2.86Å; L155-L173 HydrophobicContact CB-CD2 3.99Å; L155-L173 HydrophobicContact CD2-CD2 4.33Å; L155-S175 VanDerWaalsContact CB-OG 3.28Å; L155-S175 WeakPolarHBondContact CB-OG 3.4Å
156	N	93.4	Very high	92.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-42.8	178.7	-70.3	-19.6	0	0	0	110.8	I52 I152 S158 S159 L160 I174 S175 M234	I52-N156 VanDerWaalsContact CD1-C 3.46Å; I52-N156 HydrophobicContact CD1-CB 3.61Å; I152-N156 WeakPolarHBondContact CG2-ND2 3Å; I152-N156 WeakPolarHBondContact O-CB 3.49Å; I152-N156 PolarHBondContact O-N 3.36Å; N156-S158 VanDerWaalsContact C-N 3.34Å; N156-S158 PolarHBondContact O-N 3.17Å; N156-S159 PolarHBondContact O-N 3.28Å; N156-L160 WeakPolarHBondContact O-CB 3.47Å; N156-L160 PolarHBondContact O-N 2.92Å; N156-I174 WeakPolarHBondContact OD1-CA 3.17Å; N156-S175 PolarHBondContact ND2-O 2.99Å; N156-S175 PolarHBondContact OD1-N 3.25Å; N156-S175 PolarHBondContact OD1-OG 2.83Å; N156-M234 HydrophobicContact CB-CE 4.13Å; N156-M234 HydrophobicContact CB-SD 4.17Å; N156-M234 VanDerWaalsContact O-CE 3.23Å; N156-M234 WeakPolarHBondContact O-CE 3.44Å
157	C	95.2	Very high	92.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-38.8	179.2	-169.6	0	0	0	0	111.1	A50 I52 V59 C61 A153 L155 L160 A161	A50-C157 VanDerWaalsContact C-SG 3.51Å; A50-C157 WeakPolarHBondContact CB-O 3.17Å; A50-C157 PolarHBondContact O-SG 3.11Å; I52-C157 HydrophobicContact CB-CB 4.18Å; I52-C157 VanDerWaalsContact CD1-CA 3.48Å; I52-C157 HydrophobicContact CD1-CB 3.87Å; I52-C157 VanDerWaalsContact CD1-N 3.28Å; I52-C157 HydrophobicContact CG1-CB 3.82Å; V59-C157 HydrophobicContact CG1-CB 4.37Å; V59-C157 PolarHBondContact O-SG 3.44Å; V59-C157 VanDerWaalsContact O-SG 3.4Å; C61-C157 HydrophobicContact CB-CB 4.22Å; C61-C157 WeakPolarHBondContact CB-SG 3.21Å; C61-C157 PolarHBondContact N-SG 3.1Å; C61-C157 VanDerWaalsContact N-SG 3.36Å; A153-C157 WeakPolarHBondContact O-CB 3.42Å; A153-C157 PolarHBondContact O-N 3.32Å; L155-C157 VanDerWaalsContact C-N 3.34Å; L155-C157 PolarHBondContact O-N 3.36Å; C157-L160 PolarHBondContact O-N 2.85Å; C157-A161 WeakPolarHBondContact O-CB 3.41Å; C157-A161 PolarHBondContact O-N 3.43Å
158	S	96	Very high	92.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-44.3	175.3	-60.3	0	0	0	0	112.5	I141 A154 L155 N156 L160 A161 L162	I141-S158 WeakPolarHBondContact CD1-OG 3.37Å; I141-S158 WeakPolarHBondContact CG1-OG 3.34Å; A154-S158 VanDerWaalsContact O-CB 3.26Å; A154-S158 WeakPolarHBondContact O-CB 3.38Å; A154-S158 PolarHBondContact O-N 2.96Å; A154-S158 PolarHBondContact O-OG 2.94Å; L155-S158 PolarHBondContact O-N 2.94Å; N156-S158 VanDerWaalsContact C-N 3.34Å; N156-S158 PolarHBondContact O-N 3.17Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 3.31Å; S158-A161 PolarHBondContact O-N 2.96Å; S158-L162 WeakPolarHBondContact O-CB 3.47Å; S158-L162 VanDerWaalsContact O-CG 3.32Å; S158-L162 WeakPolarHBondContact O-CG 3.45Å; S158-L162 PolarHBondContact O-N 2.87Å
159	S	95.5	Very high	93.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-43.1	176.1	-175.4	0	0	0	0	111.4	L155 N156 L162 A163 L173	L155-S159 PolarHBondContact O-N 2.86Å; N156-S159 PolarHBondContact O-N 3.28Å; S159-L162 PolarHBondContact O-N 3.46Å; S159-A163 WeakPolarHBondContact O-CB 3.45Å; S159-A163 PolarHBondContact O-N 3.19Å; S159-L173 VanDerWaalsContact CB-O 3.31Å; S159-L173 WeakPolarHBondContact CB-O 3.26Å; S159-L173 PolarHBondContact OG-N 2.79Å; S159-L173 PolarHBondContact OG-O 3.44Å
160	L	94	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.9	-43.8	179.9	-161.6	73.9	0	0	0	112.2	V38 C40 A50 N156 C157 S158 L162 A163 S164 M234 L238	V38-L160 HydrophobicContact CG1-CD1 4.44Å; V38-L160 HydrophobicContact CG1-CD2 3.18Å; V38-L160 HydrophobicContact CG1-CG 4.44Å; C40-L160 VanDerWaalsContact SG-CD1 3.53Å; C40-L160 WeakPolarHBondContact SG-CD2 3.26Å; C40-L160 WeakPolarHBondContact SG-CG 3.42Å; A50-L160 HydrophobicContact CB-CB 3.82Å; A50-L160 HydrophobicContact CB-CD2 3.77Å; A50-L160 HydrophobicContact CB-CG 4.08Å; N156-L160 WeakPolarHBondContact O-CB 3.47Å; N156-L160 PolarHBondContact O-N 2.92Å; C157-L160 PolarHBondContact O-N 2.85Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 3.31Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.91Å; L160-A163 PolarHBondContact O-N 3.23Å; L160-S164 WeakPolarHBondContact O-CB 3.38Å; L160-S164 PolarHBondContact O-N 2.85Å; L160-M234 HydrophobicContact CB-CE 4.08Å; L160-M234 HydrophobicContact CD1-CB 4.23Å; L160-M234 HydrophobicContact CD1-CE 4.05Å; L160-L238 HydrophobicContact CD1-CD1 3.82Å; L160-L238 HydrophobicContact CD1-CD2 3.83Å; L160-L238 HydrophobicContact CD1-CG 3.57Å; L160-L238 HydrophobicContact CG-CD2 4.36Å
161	A	95.7	Very high	94	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-38.9	177.6	0	0	0	0	0	111.6	A50 C61 V63 C157 S158 S164 S165	A50-A161 HydrophobicContact CB-CB 3.85Å; C61-A161 HydrophobicContact CB-CB 3.97Å; V63-A161 HydrophobicContact CG2-CB 3.64Å; V63-A161 VanDerWaalsContact CG2-O 3.26Å; V63-A161 WeakPolarHBondContact CG2-O 3.3Å; C157-A161 WeakPolarHBondContact O-CB 3.41Å; C157-A161 PolarHBondContact O-N 3.43Å; S158-A161 PolarHBondContact O-N 2.96Å; A161-S164 PolarHBondContact O-N 3.49Å; A161-S164 PolarHBondContact O-OG 2.96Å; A161-S165 WeakPolarHBondContact O-CB 3.48Å; A161-S165 PolarHBondContact O-N 3.31Å; A161-S165 PolarHBondContact O-OG 2.83Å
162	L	95.6	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-47.2	173.8	-77.7	170	0	0	0	111.7	V63 L123 V127 I137 L139 S158 S159 L160 S164 S165 I167 M169	V63-L162 HydrophobicContact CG1-CD2 4.38Å; V63-L162 HydrophobicContact CG2-CD2 4.44Å; L123-L162 HydrophobicContact CD1-CD1 4.3Å; L123-L162 HydrophobicContact CD2-CD1 4.09Å; V127-L162 HydrophobicContact CG2-CD1 3.58Å; I137-L162 HydrophobicContact CG2-CD2 4.01Å; L139-L162 HydrophobicContact CD1-CD1 4Å; L139-L162 HydrophobicContact CD1-CD2 4.29Å; L139-L162 HydrophobicContact CD1-CG 4.15Å; L139-L162 HydrophobicContact CD2-CD2 3.69Å; L139-L162 HydrophobicContact CD2-CG 3.86Å; L139-L162 HydrophobicContact CG-CD2 4.35Å; S158-L162 WeakPolarHBondContact O-CB 3.47Å; S158-L162 VanDerWaalsContact O-CG 3.32Å; S158-L162 WeakPolarHBondContact O-CG 3.45Å; S158-L162 PolarHBondContact O-N 2.87Å; S159-L162 PolarHBondContact O-N 3.46Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.91Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.93Å; L162-S165 PolarHBondContact O-N 3.01Å; L162-S165 PolarHBondContact O-OG 3.05Å; L162-I167 HydrophobicContact CD2-CD1 3.91Å; L162-I167 HydrophobicContact CD2-CG2 4.41Å; L162-I167 PolarHBondContact O-N 3.16Å; L162-M169 HydrophobicContact CB-CE 4.13Å; L162-M169 HydrophobicContact CB-SD 3.41Å; L162-M169 WeakPolarHBondContact CB-SD 3.21Å; L162-M169 HydrophobicContact CD1-CE 4.2Å; L162-M169 HydrophobicContact CD1-SD 4.37Å
163	A	94.6	Very high	94.3	Very high	28 Å²	28	23.2 Å²	23.2	23%	0.231	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-42.7	176.7	0	0	0	0	0	111.6	S159 L160 S165 K166 M169 L172 L238	S159-A163 WeakPolarHBondContact O-CB 3.45Å; S159-A163 PolarHBondContact O-N 3.19Å; L160-A163 PolarHBondContact O-N 3.23Å; A163-S165 VanDerWaalsContact C-N 3.28Å; A163-S165 PolarHBondContact O-N 3.21Å; A163-K166 PolarHBondContact O-N 3.05Å; A163-K166 VanDerWaalsContact O-N 3.15Å; A163-M169 HydrophobicContact CB-SD 4.22Å; A163-L172 HydrophobicContact CB-CD2 3.56Å; A163-L238 HydrophobicContact CB-CD1 3.95Å; A163-L238 HydrophobicContact CB-CD2 4.01Å
164	S	93.7	Very high	94.3	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-30.4	179.3	99.9	0	0	0	0	112.6	N41 G48 S49 L160 A161 L162 K166	N41-S164 WeakPolarHBondContact OD1-CB 2.97Å; N41-S164 PolarHBondContact OD1-OG 3.26Å; G48-S164 VanDerWaalsContact CA-OG 3.25Å; G48-S164 WeakPolarHBondContact CA-OG 3.35Å; S49-S164 PolarHBondContact N-OG 2.9Å; S49-S164 VanDerWaalsContact N-OG 3.16Å; S49-S164 PolarHBondContact O-OG 3.46Å; L160-S164 WeakPolarHBondContact O-CB 3.38Å; L160-S164 PolarHBondContact O-N 2.85Å; A161-S164 PolarHBondContact O-N 3.49Å; A161-S164 PolarHBondContact O-OG 2.96Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.93Å; S164-K166 PolarHBondContact O-N 3.2Å
165	S	93.4	Very high	94.1	Very high	17 Å²	17	23.2 Å²	23.2	12%	0.119	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	1.2	174.7	72.9	0	0	0	0	115.2	A47 A161 L162 A163 I167	A47-S165 WeakPolarHBondContact O-CA 3.25Å; A161-S165 WeakPolarHBondContact O-CB 3.48Å; A161-S165 PolarHBondContact O-N 3.31Å; A161-S165 PolarHBondContact O-OG 2.83Å; L162-S165 PolarHBondContact O-N 3.01Å; L162-S165 PolarHBondContact O-OG 3.05Å; A163-S165 VanDerWaalsContact C-N 3.28Å; A163-S165 PolarHBondContact O-N 3.21Å; S165-I167 PolarHBondContact O-N 3.35Å; S165-I167 VanDerWaalsContact OG-CD1 3.24Å; S165-I167 WeakPolarHBondContact OG-CD1 3.41Å; S165-I167 WeakPolarHBondContact OG-CG1 3.28Å
166	K	92.5	Very high	93.8	Very high	144 Å²	144	23.1 Å²	23.1	63%	0.626	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	22.6	-178.7	-52.3	175.6	-175.9	176.6	0	112.4	A163 S164 E245	A163-K166 PolarHBondContact O-N 3.05Å; A163-K166 VanDerWaalsContact O-N 3.15Å; S164-K166 PolarHBondContact O-N 3.2Å; K166-E245 IonicContact NZ-OE2 2.66Å; K166-E245 PolarHBondContact NZ-OE2 2.98Å
167	I	94.1	Very high	93.5	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.051	12%	0.115	C	C	.	.			trans	-74.4	137.3	170.9	-69.9	174.6	0	0	0	108.5	V63 V127 Y132 I137 L162 S165 M169	V63-I167 HydrophobicContact CG1-CD1 3.65Å; V127-I167 HydrophobicContact CG1-CG2 4Å; Y132-I167 HydrophobicContact CE2-CG2 4.08Å; I137-I167 HydrophobicContact CB-CD1 4.44Å; I137-I167 HydrophobicContact CD1-CD1 4.03Å; I137-I167 HydrophobicContact CD1-CG2 3.94Å; I137-I167 HydrophobicContact CG1-CD1 4.03Å; I137-I167 HydrophobicContact CG2-CD1 3.55Å; L162-I167 HydrophobicContact CD2-CD1 3.91Å; L162-I167 HydrophobicContact CD2-CG2 4.41Å; L162-I167 PolarHBondContact O-N 3.16Å; S165-I167 PolarHBondContact O-N 3.35Å; S165-I167 VanDerWaalsContact OG-CD1 3.24Å; S165-I167 WeakPolarHBondContact OG-CD1 3.41Å; S165-I167 WeakPolarHBondContact OG-CG1 3.28Å; I167-M169 PolarHBondContact O-N 2.87Å
168	Q	93.7	Very high	93	Very high	80 Å²	80	24.8 Å²	24.8	37%	0.374	12%	0.123	S	C	.	.			trans	-75.1	116.9	-175.4	-65.1	178.6	13.9	0	0	110.9	R128 R131 Y132	R128-Q168 HydrophobicContact CB-CB 4.49Å; R128-Q168 WeakPolarHBondContact CB-O 3.39Å; R128-Q168 PolarHBondContact N-O 3.06Å; R131-Q168 VanDerWaalsContact CZ-OE1 3.32Å; Y132-Q168 PolarHBondContact OH-N 2.97Å; Y132-Q168 VanDerWaalsContact OH-N 3.1Å
169	M	94.6	Very high	92.4	Very high	40 Å²	40	26 Å²	26	20%	0.197	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-116	152	177.1	-61	174.1	68.8	0	0	109.1	A126 V127 L162 A163 I167 D171	A126-M169 HydrophobicContact CB-CE 4.41Å; A126-M169 CarbonylContact O-C 3.54Å; A126-M169 VanDerWaalsContact O-CA 3.26Å; A126-M169 WeakPolarHBondContact O-CA 3.37Å; A126-M169 WeakPolarHBondContact O-CB 3.44Å; V127-M169 HydrophobicContact CG2-CG 4.36Å; L162-M169 HydrophobicContact CB-CE 4.13Å; L162-M169 HydrophobicContact CB-SD 3.41Å; L162-M169 WeakPolarHBondContact CB-SD 3.21Å; L162-M169 HydrophobicContact CD1-CE 4.2Å; L162-M169 HydrophobicContact CD1-SD 4.37Å; A163-M169 HydrophobicContact CB-SD 4.22Å; I167-M169 PolarHBondContact O-N 2.87Å; M169-D171 WeakPolarHBondContact CE-O 3.41Å
170	F	94.3	Very high	91.8	Very high	119 Å²	119	27.3 Å²	27.3	52%	0.522	14%	0.136	S	C	.	.	S	Bend	trans	-72.3	-38.4	170.5	-68	-73.9	0	0	0	110.9	P125 A126 R128	P125-F170 VanDerWaalsContact O-CD2 3.26Å; P125-F170 WeakPolarHBondContact O-CD2 3.28Å; A126-F170 PolarHBondContact O-N 3.43Å; R128-F170 HydrophobicContact CB-CE2 4.09Å; R128-F170 HydrophobicContact CB-CZ 4.19Å; R128-F170 HydrophobicContact CG-CE1 4.49Å; R128-F170 HydrophobicContact CG-CE2 4.25Å; R128-F170 HydrophobicContact CG-CZ 3.9Å
171	D	94.4	Very high	91.1	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.08	15%	0.146	C	C	.	.	S	Bend	trans	-163.5	166.8	-179.5	-169.1	16.1	0	0	0	110.7	M169 L195 P196 A197 V198	M169-D171 WeakPolarHBondContact CE-O 3.41Å; D171-L195 HydrophobicContact CB-CB 4.11Å; D171-L195 HydrophobicContact CB-CD2 4.11Å; D171-L195 WeakPolarHBondContact OD2-CA 3.31Å; D171-L195 WeakPolarHBondContact OD2-CB 3.09Å; D171-P196 VanDerWaalsContact OD2-CD 3.29Å; D171-P196 WeakPolarHBondContact OD2-CD 3.42Å; D171-A197 HydrophobicContact CB-CB 4.33Å; D171-A197 VanDerWaalsContact CG-CB 3.46Å; D171-A197 WeakPolarHBondContact OD1-CB 3.06Å; D171-A197 WeakPolarHBondContact OD2-CA 3.41Å; D171-A197 WeakPolarHBondContact OD2-CB 2.88Å; D171-A197 PolarHBondContact OD2-N 2.86Å; D171-V198 HydrophobicContact CB-CG2 4.09Å
172	L	93.8	Very high	89.9	Confident	21 Å²	21	32.3 Å²	32.3	11%	0.11	18%	0.175	C	C	.	.			trans	-74.1	126.2	170.3	-64.4	174.2	0	0	0	109.6	A163 P196 Y231 L238	A163-L172 HydrophobicContact CB-CD2 3.56Å; L172-P196 WeakPolarHBondContact O-CD 3.33Å; L172-Y231 HydrophobicContact CD1-CE2 4.42Å; L172-L238 HydrophobicContact CD1-CD1 3.58Å; L172-L238 HydrophobicContact CD2-CD1 3.73Å; L172-L238 HydrophobicContact CG-CD1 4.3Å
173	L	94.8	Very high	88.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.			trans	-78.7	126.6	172.3	-176.6	138.4	0	0	0	110	A122 L123 A126 L155 S159 L195 C202	A122-L173 VanDerWaalsContact C-CD1 3.45Å; A122-L173 HydrophobicContact CB-CD1 3.83Å; A122-L173 WeakPolarHBondContact O-CD1 3.34Å; L123-L173 HydrophobicContact CD2-CB 4.18Å; L123-L173 HydrophobicContact CD2-CD1 4.22Å; L123-L173 HydrophobicContact CD2-CD2 4.42Å; A126-L173 HydrophobicContact CB-CB 4.37Å; A126-L173 HydrophobicContact CB-CD1 4.48Å; L155-L173 HydrophobicContact CB-CD2 3.99Å; L155-L173 HydrophobicContact CD2-CD2 4.33Å; S159-L173 VanDerWaalsContact CB-O 3.31Å; S159-L173 WeakPolarHBondContact CB-O 3.26Å; S159-L173 PolarHBondContact OG-N 2.79Å; S159-L173 PolarHBondContact OG-O 3.44Å; L173-L195 HydrophobicContact CB-CD2 4.06Å; L173-C202 HydrophobicContact CD1-CB 4.26Å
174	I	92.1	Very high	87.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.9	172.5	-59.4	-172.3	0	0	0	108.7	N156 S193 F194 P196 C226 L230 Y231 M234	N156-I174 WeakPolarHBondContact OD1-CA 3.17Å; I174-S193 CarbonylContact O-C 3.6Å; I174-S193 WeakPolarHBondContact O-CA 3.3Å; I174-F194 PolarHBondContact N-O 3.37Å; I174-F194 PolarHBondContact O-N 3.27Å; I174-P196 HydrophobicContact CD1-CG 3.67Å; I174-P196 HydrophobicContact CG1-CG 4.07Å; I174-C226 HydrophobicContact CG2-CB 3.79Å; I174-L230 HydrophobicContact CD1-CB 4.27Å; I174-L230 HydrophobicContact CG2-CB 3.67Å; I174-L230 HydrophobicContact CG2-CD1 3.68Å; I174-L230 HydrophobicContact CG2-CG 4.34Å; I174-Y231 HydrophobicContact CD1-CD2 3.72Å; I174-Y231 HydrophobicContact CD1-CG 3.97Å; I174-M234 HydrophobicContact CG1-SD 4.27Å
175	S	91	Very high	86.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	149	170.1	63.3	0	0	0	0	111	I152 L155 N156 A192 L230	I152-S175 WeakPolarHBondContact CA-OG 3.26Å; I152-S175 VanDerWaalsContact CG2-O 3.3Å; I152-S175 WeakPolarHBondContact CG2-O 3.37Å; I152-S175 WeakPolarHBondContact CG2-OG 3.29Å; I152-S175 PolarHBondContact O-OG 3.28Å; L155-S175 VanDerWaalsContact CB-OG 3.28Å; L155-S175 WeakPolarHBondContact CB-OG 3.4Å; N156-S175 PolarHBondContact ND2-O 2.99Å; N156-S175 PolarHBondContact OD1-N 3.25Å; N156-S175 PolarHBondContact OD1-OG 2.83Å; S175-A192 VanDerWaalsContact CA-O 3.24Å; S175-A192 WeakPolarHBondContact CA-O 3.35Å; S175-L230 WeakPolarHBondContact O-CD1 3.35Å
176	G	87.9	Confident	85.1	Confident	1 Å²	1	56 Å²	56	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164.8	172.3	0	0	0	0	0	109.4	T191 A192	G176-T191 WeakPolarHBondContact O-CA 3.3Å; G176-A192 PolarHBondContact N-O 3.02Å; G176-A192 PolarHBondContact O-N 2.9Å
177	T	87.4	Confident	84.5	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.3	171.7	175.6	0	0	0	0	108.9	P28 I152 V190 T191	P28-T177 HydrophobicContact CB-CG2 4.48Å; P28-T177 HydrophobicContact CG-CG2 3.05Å; I152-T177 HydrophobicContact CD1-CG2 3.04Å; T177-V190 CarbonylContact C-O 3.57Å; T177-V190 WeakPolarHBondContact CA-O 3.1Å; T177-V190 PolarHBondContact OG1-O 2.91Å; T177-T191 WeakPolarHBondContact CB-OG1 3.48Å; T177-T191 PolarHBondContact OG1-OG1 2.96Å
178	M	83.5	Confident	84	Confident	31 Å²	31	50.1 Å²	50.1	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.5	179.1	-178.4	174.9	68.8	0	0	108.6	Y180 V190 A218 K221 L222	M178-Y180 HydrophobicContact CE-CD2 4.02Å; M178-V190 PolarHBondContact N-O 3.02Å; M178-V190 PolarHBondContact O-N 3.28Å; M178-A218 VanDerWaalsContact CE-CA 3.46Å; M178-A218 HydrophobicContact CE-CB 3.68Å; M178-A218 WeakPolarHBondContact CE-O 3.32Å; M178-K221 HydrophobicContact CE-CB 3.99Å; M178-K221 HydrophobicContact SD-CB 4.3Å; M178-L222 HydrophobicContact CB-CD1 4.15Å; M178-L222 HydrophobicContact CE-CB 4.41Å
179	S	84.4	Confident	83.7	Confident	26 Å²	26	46.8 Å²	46.8	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	133.9	165.4	53.7	0	0	0	0	110	A188	S179-A188 CarbonylContact C-O 3.6Å; S179-A188 WeakPolarHBondContact CA-O 3.47Å
180	Y	81.4	Confident	83.4	Confident	27 Å²	27	44.9 Å²	44.9	11%	0.106	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.4	178.5	-155.7	-99.7	0	0	0	111.2	M178 A188 L210 E214 E217 A218 K221	M178-Y180 HydrophobicContact CE-CD2 4.02Å; Y180-A188 PolarHBondContact N-O 3.4Å; Y180-A188 PolarHBondContact O-N 2.88Å; Y180-L210 HydrophobicContact CD1-CD2 4.11Å; Y180-L210 WeakPolarHBondContact O-CD2 3Å; Y180-E214 HydrophobicContact CD1-CB 3.86Å; Y180-E214 HydrophobicContact CE1-CB 3.7Å; Y180-E214 HydrophobicContact CE1-CG 4.12Å; Y180-E214 WeakPolarHBondContact CE1-O 3.38Å; Y180-E217 PolarHBondContact OH-OE1 3.19Å; Y180-E217 PolarHBondContact OH-OE2 3Å; Y180-A218 HydrophobicContact CD1-CB 4Å; Y180-A218 HydrophobicContact CD2-CB 4.14Å; Y180-A218 HydrophobicContact CG-CB 3.72Å; Y180-K221 HydrophobicContact CE2-CD 4.16Å; Y180-K221 PolarHBondContact OH-NZ 2.97Å
181	P	80.6	Confident	83.2	Confident	31 Å²	31	40 Å²	40	20%	0.201	24%	0.241	C	C	.	.	S	Bend	cis	-66.7	142.9	-16.3	28	-33	0	0	0	111.6	D183 N184 A187	P181-D183 PolarHBondContact O-N 2.91Å; P181-N184 HydrophobicContact CG-CB 4.1Å; P181-N184 WeakPolarHBondContact CG-ND2 3.13Å; P181-N184 PolarHBondContact O-N 3.34Å; P181-A187 VanDerWaalsContact O-CB 3.31Å; P181-A187 WeakPolarHBondContact O-CB 3.07Å
182	A	70	Confident	83.1	Confident	74 Å²	74	39.4 Å²	39.4	61%	0.612	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.5	-166.4	0	0	0	0	0	115.4
183	D	70.1	Confident	83.1	Confident	157 Å²	157	38.5 Å²	38.5	84%	0.84	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.1	-169.4	-62	-31.8	0	0	0	114.1	P181	P181-D183 PolarHBondContact O-N 2.91Å
184	N	70.8	Confident	83	Confident	100 Å²	100	38.6 Å²	38.6	54%	0.535	23%	0.234	S	C	.	.			trans	-94.8	137.1	-178.9	-73.1	-8.8	0	0	0	111.3	P181 E186 A187	P181-N184 HydrophobicContact CG-CB 4.1Å; P181-N184 WeakPolarHBondContact CG-ND2 3.13Å; P181-N184 PolarHBondContact O-N 3.34Å; N184-E186 PolarHBondContact O-N 3.26Å; N184-A187 VanDerWaalsContact O-CB 3.24Å; N184-A187 WeakPolarHBondContact O-CB 3.48Å; N184-A187 PolarHBondContact O-N 3.19Å
185	A	66.6	Low	83.1	Confident	116 Å²	116	38.8 Å²	38.8	96%	0.959	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.4	172.4	0	0	0	0	0	112.3	A187	A185-A187 VanDerWaalsContact C-N 3.31Å
186	E	69.7	Low	83.2	Confident	179 Å²	179	39.2 Å²	39.2	84%	0.836	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	31.7	174.3	-60.3	-176	172.3	0	0	112.1	N184 A188	N184-E186 PolarHBondContact O-N 3.26Å; E186-A188 PolarHBondContact O-N 3.3Å
187	A	78.7	Confident	83.4	Confident	30 Å²	30	42.4 Å²	42.4	25%	0.248	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63	132.4	175.2	0	0	0	0	0	110.7	P181 N184 A185	P181-A187 VanDerWaalsContact O-CB 3.31Å; P181-A187 WeakPolarHBondContact O-CB 3.07Å; N184-A187 VanDerWaalsContact O-CB 3.24Å; N184-A187 WeakPolarHBondContact O-CB 3.48Å; N184-A187 PolarHBondContact O-N 3.19Å; A185-A187 VanDerWaalsContact C-N 3.31Å
188	A	84.9	Confident	83.6	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	150.1	171.4	0	0	0	0	0	110.3	S179 Y180 E186 E207 L210	S179-A188 CarbonylContact C-O 3.6Å; S179-A188 WeakPolarHBondContact CA-O 3.47Å; Y180-A188 PolarHBondContact N-O 3.4Å; Y180-A188 PolarHBondContact O-N 2.88Å; E186-A188 PolarHBondContact O-N 3.3Å; A188-E207 CarbonylContact C-O 3.53Å; A188-E207 WeakPolarHBondContact CA-O 3.03Å; A188-E207 WeakPolarHBondContact CB-O 3.32Å; A188-L210 HydrophobicContact CB-CD1 3.53Å; A188-L210 HydrophobicContact CB-CD2 4.05Å; A188-L210 HydrophobicContact CB-CG 3.41Å; A188-L210 VanDerWaalsContact CB-CG 3.41Å
189	T	86.9	Confident	84.1	Confident	9 Å²	9	48.6 Å²	48.6	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.5	176.5	61.3	0	0	0	0	109.6	F27 I206 E207	F27-T189 HydrophobicContact CB-CG2 3.79Å; F27-T189 HydrophobicContact CD2-CG2 3.55Å; F27-T189 HydrophobicContact CE2-CG2 4.35Å; F27-T189 HydrophobicContact CG-CG2 3.87Å; T189-I206 WeakPolarHBondContact O-CA 3.39Å; T189-E207 PolarHBondContact N-O 2.79Å; T189-E207 PolarHBondContact O-N 3.36Å; T189-E207 WeakPolarHBondContact OG1-CB 3.32Å
190	V	88.7	Confident	84.5	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.5	177.5	-177.2	0	0	0	0	107.7	T177 M178 V204 L210 F215 A218 L219	T177-V190 CarbonylContact C-O 3.57Å; T177-V190 WeakPolarHBondContact CA-O 3.1Å; T177-V190 PolarHBondContact OG1-O 2.91Å; M178-V190 PolarHBondContact N-O 3.02Å; M178-V190 PolarHBondContact O-N 3.28Å; V190-V204 HydrophobicContact CG1-CG1 4.34Å; V190-L210 HydrophobicContact CG2-CD1 3.4Å; V190-L210 VanDerWaalsContact CG2-CD1 3.4Å; V190-F215 HydrophobicContact CG1-CD2 4.48Å; V190-F215 HydrophobicContact CG1-CE2 4.14Å; V190-F215 HydrophobicContact CG2-CD2 4.4Å; V190-A218 HydrophobicContact CG2-CB 4.34Å; V190-L219 HydrophobicContact CG1-CD2 4.04Å
191	T	90.1	Very high	85	Confident	17 Å²	17	55.2 Å²	55.2	10%	0.104	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.8	171.8	-57.4	0	0	0	0	109	L151 I152 G176 T177 V204 H205	L151-T191 HydrophobicContact CD2-CG2 4.22Å; I152-T191 HydrophobicContact CD1-CG2 4.07Å; I152-T191 HydrophobicContact CG1-CG2 4.03Å; G176-T191 WeakPolarHBondContact O-CA 3.3Å; T177-T191 WeakPolarHBondContact CB-OG1 3.48Å; T177-T191 PolarHBondContact OG1-OG1 2.96Å; T191-V204 CarbonylContact O-C 3.56Å; T191-V204 WeakPolarHBondContact O-CA 3.24Å; T191-H205 PolarHBondContact N-O 3.48Å; T191-H205 PolarHBondContact O-N 2.93Å
192	A	91.8	Very high	85.6	Confident	3 Å²	3	55.1 Å²	55.1	3%	0.025	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.5	177.5	0	0	0	0	0	111.4	S175 G176 F201 S203 V204 L219 L222	S175-A192 VanDerWaalsContact CA-O 3.24Å; S175-A192 WeakPolarHBondContact CA-O 3.35Å; G176-A192 PolarHBondContact N-O 3.02Å; G176-A192 PolarHBondContact O-N 2.9Å; A192-F201 HydrophobicContact CB-CD1 4.22Å; A192-F201 HydrophobicContact CB-CE1 4.26Å; A192-S203 WeakPolarHBondContact CA-O 3.3Å; A192-V204 HydrophobicContact CB-CG2 4.17Å; A192-L219 HydrophobicContact CB-CD2 3.97Å; A192-L222 HydrophobicContact CB-CD2 3.55Å
193	S	93.4	Very high	86.6	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131	170.8	-52.9	0	0	0	0	109.4	I174 F201 C202 S203	I174-S193 CarbonylContact O-C 3.6Å; I174-S193 WeakPolarHBondContact O-CA 3.3Å; S193-F201 CarbonylContact O-C 3.51Å; S193-F201 WeakPolarHBondContact O-CA 3.39Å; S193-C202 PolarHBondContact O-N 3.32Å; S193-S203 VanDerWaalsContact CB-OG 3.29Å; S193-S203 WeakPolarHBondContact CB-OG 3.26Å; S193-S203 PolarHBondContact N-O 2.86Å; S193-S203 PolarHBondContact OG-OG 2.82Å
194	F	93.2	Very high	87.7	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.4	-172	-179	-113.2	0	0	0	110.7	I174 P196 E199 Q200 F201 K223	I174-F194 PolarHBondContact N-O 3.37Å; I174-F194 PolarHBondContact O-N 3.27Å; F194-P196 HydrophobicContact CD1-CB 4.24Å; F194-P196 HydrophobicContact CD1-CG 3.87Å; F194-P196 HydrophobicContact CE1-CB 3.99Å; F194-P196 HydrophobicContact CE1-CG 4.15Å; F194-P196 WeakPolarHBondContact O-CD 3.38Å; F194-E199 VanDerWaalsContact CE2-C 3.43Å; F194-E199 HydrophobicContact CE2-CB 4.5Å; F194-E199 HydrophobicContact CZ-CB 4.2Å; F194-E199 HydrophobicContact CZ-CG 4.41Å; F194-Q200 VanDerWaalsContact CD2-O 3.24Å; F194-Q200 WeakPolarHBondContact CD2-O 3.39Å; F194-F201 HydrophobicContact CB-CD1 4.32Å; F194-F201 HydrophobicContact CB-CE1 4.5Å; F194-F201 HydrophobicContact CD2-CD1 4.03Å; F194-F201 HydrophobicContact CD2-CE1 4.1Å; F194-F201 HydrophobicContact CD2-CG 4.29Å; F194-F201 HydrophobicContact CD2-CZ 4.41Å; F194-K223 HydrophobicContact CD1-CG 4.33Å; F194-K223 HydrophobicContact CD2-CG 4.26Å; F194-K223 HydrophobicContact CE1-CG 3.94Å; F194-K223 HydrophobicContact CE2-CD 3.92Å; F194-K223 HydrophobicContact CE2-CG 3.94Å; F194-K223 HydrophobicContact CG-CG 4.47Å; F194-K223 HydrophobicContact CZ-CD 3.99Å; F194-K223 VanDerWaalsContact CZ-CE 3.42Å; F194-K223 HydrophobicContact CZ-CG 3.77Å
195	L	94.8	Very high	88.7	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	98.7	171.4	-62.5	175.7	0	0	0	108.3	A126 D171 L173 A197 V198 E199 Q200 C202	A126-L195 HydrophobicContact CB-CD2 3.87Å; D171-L195 HydrophobicContact CB-CB 4.11Å; D171-L195 HydrophobicContact CB-CD2 4.11Å; D171-L195 WeakPolarHBondContact OD2-CA 3.31Å; D171-L195 WeakPolarHBondContact OD2-CB 3.09Å; L173-L195 HydrophobicContact CB-CD2 4.06Å; L195-A197 PolarHBondContact O-N 3.01Å; L195-V198 HydrophobicContact CB-CB 4.12Å; L195-V198 HydrophobicContact CB-CG2 4.49Å; L195-V198 PolarHBondContact O-N 3.46Å; L195-E199 WeakPolarHBondContact O-CA 3.08Å; L195-E199 PolarHBondContact O-N 2.85Å; L195-Q200 PolarHBondContact N-O 3.17Å; L195-Q200 PolarHBondContact O-N 2.66Å; L195-C202 VanDerWaalsContact CD1-SG 3.52Å; L195-C202 WeakPolarHBondContact CG-SG 3.31Å
196	P	92	Very high	89.8	Confident	8 Å²	8	43.6 Å²	43.6	5%	0.052	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.3	-172.3	-23.8	34.7	0	0	0	117.6	D171 L172 I174 F194 Y231	D171-P196 VanDerWaalsContact OD2-CD 3.29Å; D171-P196 WeakPolarHBondContact OD2-CD 3.42Å; L172-P196 WeakPolarHBondContact O-CD 3.33Å; I174-P196 HydrophobicContact CD1-CG 3.67Å; I174-P196 HydrophobicContact CG1-CG 4.07Å; F194-P196 HydrophobicContact CD1-CB 4.24Å; F194-P196 HydrophobicContact CD1-CG 3.87Å; F194-P196 HydrophobicContact CE1-CB 3.99Å; F194-P196 HydrophobicContact CE1-CG 4.15Å; F194-P196 WeakPolarHBondContact O-CD 3.38Å; P196-Y231 HydrophobicContact CB-CD1 4.49Å; P196-Y231 HydrophobicContact CB-CD2 3.81Å; P196-Y231 HydrophobicContact CB-CE2 3.99Å; P196-Y231 HydrophobicContact CB-CG 4.06Å; P196-Y231 HydrophobicContact CG-CD2 3.6Å; P196-Y231 HydrophobicContact CG-CE2 4.1Å; P196-Y231 HydrophobicContact CG-CG 4.05Å
197	A	91.9	Very high	90.6	Very high	69 Å²	69	39.3 Å²	39.3	57%	0.57	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-31	178	0	0	0	0	0	112.6	D171 L195	D171-A197 HydrophobicContact CB-CB 4.33Å; D171-A197 VanDerWaalsContact CG-CB 3.46Å; D171-A197 WeakPolarHBondContact OD1-CB 3.06Å; D171-A197 WeakPolarHBondContact OD2-CA 3.41Å; D171-A197 WeakPolarHBondContact OD2-CB 2.88Å; D171-A197 PolarHBondContact OD2-N 2.86Å; L195-A197 PolarHBondContact O-N 3.01Å
198	V	92.5	Very high	91	Very high	61 Å²	61	40.8 Å²	40.8	37%	0.37	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-14.8	178.3	-174.3	0	0	0	0	111.8	D171 L195 Q200	D171-V198 HydrophobicContact CB-CG2 4.09Å; L195-V198 HydrophobicContact CB-CB 4.12Å; L195-V198 HydrophobicContact CB-CG2 4.49Å; L195-V198 PolarHBondContact O-N 3.46Å; V198-Q200 VanDerWaalsContact C-N 3.3Å; V198-Q200 HydrophobicContact CG1-CB 4.22Å; V198-Q200 HydrophobicContact CG1-CG 3.9Å; V198-Q200 PolarHBondContact O-N 2.84Å
199	E	92.6	Very high	91.1	Very high	106 Å²	106	47 Å²	47	50%	0.495	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	38.9	-174.9	-57.8	-158.3	144.9	0	0	114.4	F194 L195 K227	F194-E199 VanDerWaalsContact CE2-C 3.43Å; F194-E199 HydrophobicContact CE2-CB 4.5Å; F194-E199 HydrophobicContact CZ-CB 4.2Å; F194-E199 HydrophobicContact CZ-CG 4.41Å; L195-E199 WeakPolarHBondContact O-CA 3.08Å; L195-E199 PolarHBondContact O-N 2.85Å; E199-K227 IonicContact OE1-NZ 2.82Å; E199-K227 PolarHBondContact OE1-NZ 2.94Å
200	Q	93.1	Very high	91.1	Very high	118 Å²	118	48.2 Å²	48.2	55%	0.551	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.2	-179.1	-72.8	178.7	0.5	0	0	112.5	F194 L195 V198	F194-Q200 VanDerWaalsContact CD2-O 3.24Å; F194-Q200 WeakPolarHBondContact CD2-O 3.39Å; L195-Q200 PolarHBondContact N-O 3.17Å; L195-Q200 PolarHBondContact O-N 2.66Å; V198-Q200 VanDerWaalsContact C-N 3.3Å; V198-Q200 HydrophobicContact CG1-CB 4.22Å; V198-Q200 HydrophobicContact CG1-CG 3.9Å; V198-Q200 PolarHBondContact O-N 2.84Å
201	F	93.3	Very high	91.2	Very high	74 Å²	74	54.2 Å²	54.2	33%	0.325	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.3	169.8	-67.2	-80.9	0	0	0	110.3	A192 S193 F194 V204 L219 K223	A192-F201 HydrophobicContact CB-CD1 4.22Å; A192-F201 HydrophobicContact CB-CE1 4.26Å; S193-F201 CarbonylContact O-C 3.51Å; S193-F201 WeakPolarHBondContact O-CA 3.39Å; F194-F201 HydrophobicContact CB-CD1 4.32Å; F194-F201 HydrophobicContact CB-CE1 4.5Å; F194-F201 HydrophobicContact CD2-CD1 4.03Å; F194-F201 HydrophobicContact CD2-CE1 4.1Å; F194-F201 HydrophobicContact CD2-CG 4.29Å; F194-F201 HydrophobicContact CD2-CZ 4.41Å; F201-V204 HydrophobicContact CB-CG2 4.48Å; F201-V204 HydrophobicContact CD1-CG2 4.5Å; F201-L219 HydrophobicContact CE1-CD2 4.28Å; F201-L219 HydrophobicContact CZ-CB 4.41Å; F201-K223 HydrophobicContact CE1-CB 4.34Å; F201-K223 HydrophobicContact CE2-CD 4.34Å; F201-K223 HydrophobicContact CZ-CB 3.98Å; F201-K223 HydrophobicContact CZ-CD 3.97Å; F201-K223 HydrophobicContact CZ-CG 4.31Å
202	C	92.6	Very high	91.3	Very high	28 Å²	28	59.5 Å²	59.5	19%	0.189	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-43.7	175.5	-63.3	0	0	0	0	112.1	A122 P125 L173 S193 L195	A122-C202 WeakPolarHBondContact O-CB 3.37Å; P125-C202 HydrophobicContact CG-CB 3.78Å; P125-C202 VanDerWaalsContact CG-SG 3.52Å; L173-C202 HydrophobicContact CD1-CB 4.26Å; S193-C202 PolarHBondContact O-N 3.32Å; L195-C202 VanDerWaalsContact CD1-SG 3.52Å; L195-C202 WeakPolarHBondContact CG-SG 3.31Å
203	S	92	Very high	91.3	Very high	19 Å²	19	63.4 Å²	63.4	13%	0.133	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.2	-174.5	65.7	0	0	0	0	109.8	A192 S193	A192-S203 WeakPolarHBondContact CA-O 3.3Å; S193-S203 VanDerWaalsContact CB-OG 3.29Å; S193-S203 WeakPolarHBondContact CB-OG 3.26Å; S193-S203 PolarHBondContact N-O 2.86Å; S193-S203 PolarHBondContact OG-OG 2.82Å
204	V	92.5	Very high	91.1	Very high	61 Å²	61	66.2 Å²	66.2	37%	0.37	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.3	171.5	-178.1	0	0	0	0	108.2	V190 T191 A192 F201 I206 F215 L219	V190-V204 HydrophobicContact CG1-CG1 4.34Å; T191-V204 CarbonylContact O-C 3.56Å; T191-V204 WeakPolarHBondContact O-CA 3.24Å; A192-V204 HydrophobicContact CB-CG2 4.17Å; F201-V204 HydrophobicContact CB-CG2 4.48Å; F201-V204 HydrophobicContact CD1-CG2 4.5Å; V204-I206 HydrophobicContact CG1-CG1 4.37Å; V204-F215 HydrophobicContact CG1-CE2 3.83Å; V204-F215 HydrophobicContact CG1-CZ 3.85Å; V204-L219 HydrophobicContact CG1-CD2 3.96Å; V204-L219 HydrophobicContact CG2-CD2 4.06Å
205	H	90.8	Very high	91.1	Very high	56 Å²	56	68.6 Å²	68.6	26%	0.259	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.1	176.1	-172.8	-107.8	0	0	0	109.2	F118 T191 E207	F118-H205 HydrophobicContact CE1-CB 3.88Å; F118-H205 AromaticContact CE1-CD2 3.72Å; F118-H205 AromaticContact CE1-CG 3.87Å; F118-H205 HydrophobicContact CZ-CB 4.22Å; F118-H205 AromaticContact CZ-CD2 3.37Å; F118-H205 WeakPolarHBondContact CZ-CD2 3.4Å; F118-H205 AromaticContact CZ-CG 3.71Å; F118-H205 AromaticContact CZ-NE2 3.69Å; T191-H205 PolarHBondContact N-O 3.48Å; T191-H205 PolarHBondContact O-N 2.93Å; H205-E207 WeakPolarHBondContact CE1-CG 3.49Å; H205-E207 IonicContact CE1-OE1 3.52Å; H205-E207 PolarHBondContact CE1-OE1 3.49Å; H205-E207 VanDerWaalsContact CE1-OE1 3.31Å
206	I	89.6	Confident	91	Very high	69 Å²	69	75.8 Å²	75.8	35%	0.354	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.3	-178.8	-52.5	169.3	0	0	0	107	T189 V204 L210 F215	T189-I206 WeakPolarHBondContact O-CA 3.39Å; V204-I206 HydrophobicContact CG1-CG1 4.37Å; I206-L210 HydrophobicContact CG2-CD1 3.91Å; I206-F215 HydrophobicContact CD1-CD2 3.49Å; I206-F215 VanDerWaalsContact CD1-CD2 3.49Å; I206-F215 HydrophobicContact CD1-CE2 3.2Å; I206-F215 HydrophobicContact CD1-CG 4.3Å; I206-F215 HydrophobicContact CD1-CZ 3.78Å; I206-F215 HydrophobicContact CG1-CD2 4.15Å; I206-F215 HydrophobicContact CG1-CE2 3.69Å
207	E	88	Confident	91	Very high	90 Å²	90	79.8 Å²	79.8	42%	0.421	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.3	165.5	-52.2	-177.1	153.1	0	0	108.6	A188 T189 H205	A188-E207 CarbonylContact C-O 3.53Å; A188-E207 WeakPolarHBondContact CA-O 3.03Å; A188-E207 WeakPolarHBondContact CB-O 3.32Å; T189-E207 PolarHBondContact N-O 2.79Å; T189-E207 PolarHBondContact O-N 3.36Å; T189-E207 WeakPolarHBondContact OG1-CB 3.32Å; H205-E207 WeakPolarHBondContact CE1-CG 3.49Å; H205-E207 IonicContact CE1-OE1 3.52Å; H205-E207 PolarHBondContact CE1-OE1 3.49Å; H205-E207 VanDerWaalsContact CE1-OE1 3.31Å
208	G	87.1	Confident	90.9	Very high	60 Å²	60	76.5 Å²	76.5	62%	0.619	40%	0.4	S	S	*	.	S	Bend	trans	114.5	-168.2	-176.9	0	0	0	0	0	113.1
209	V	87.2	Confident	90.9	Very high	131 Å²	131	74.7 Å²	74.7	79%	0.794	39%	0.388	S	S	*	.			trans	-112.7	126.8	-176.8	-177.7	0	0	0	0	108.7
210	L	86.3	Confident	90.9	Very high	34 Å²	34	74.9 Å²	74.9	18%	0.178	39%	0.389	C	S	.	.			trans	-135.8	144.3	177	-80	162.9	0	0	0	110.4	Y180 A188 V190 I206 E214 F215	Y180-L210 HydrophobicContact CD1-CD2 4.11Å; Y180-L210 WeakPolarHBondContact O-CD2 3Å; A188-L210 HydrophobicContact CB-CD1 3.53Å; A188-L210 HydrophobicContact CB-CD2 4.05Å; A188-L210 HydrophobicContact CB-CG 3.41Å; A188-L210 VanDerWaalsContact CB-CG 3.41Å; V190-L210 HydrophobicContact CG2-CD1 3.4Å; V190-L210 VanDerWaalsContact CG2-CD1 3.4Å; I206-L210 HydrophobicContact CG2-CD1 3.91Å; L210-E214 HydrophobicContact CD2-CB 3.97Å; L210-F215 HydrophobicContact CB-CB 4.44Å; L210-F215 HydrophobicContact CD1-CD2 4.49Å
211	M	90.4	Very high	90.8	Very high	126 Å²	126	73.3 Å²	73.3	62%	0.621	38%	0.38	S	S	*	.			trans	-73	152.5	164.9	-64.2	-65.3	-77.4	0	0	110.3	S213 E214 F215	M211-S213 VanDerWaalsContact C-N 3.27Å; M211-S213 PolarHBondContact O-N 3.4Å; M211-E214 HydrophobicContact CB-CB 4.36Å; M211-E214 HydrophobicContact CB-CG 4.08Å; M211-E214 PolarHBondContact N-OE2 3.45Å; M211-E214 VanDerWaalsContact N-OE2 3.17Å; M211-E214 PolarHBondContact O-N 2.85Å; M211-E214 VanDerWaalsContact O-N 3.17Å; M211-F215 WeakPolarHBondContact O-CB 3.27Å; M211-F215 PolarHBondContact O-N 3.35Å
212	E	91.4	Very high	90.5	Very high	129 Å²	129	69.9 Å²	69.9	60%	0.603	37%	0.366	S	S	*	.	H	α-helix	trans	-59.3	-38.2	-179.6	-171.7	-175.4	169.1	0	0	112.4	F215 R216	E212-F215 PolarHBondContact O-N 2.8Å; E212-R216 WeakPolarHBondContact O-CG 3.42Å; E212-R216 PolarHBondContact O-N 2.79Å; E212-R216 VanDerWaalsContact O-N 3.1Å; E212-R216 IonicContact OE1-CZ 3.35Å; E212-R216 IonicContact OE1-NE 3.49Å; E212-R216 PolarHBondContact OE1-NE 3.11Å; E212-R216 IonicContact OE1-NH2 2.66Å; E212-R216 PolarHBondContact OE1-NH2 2.92Å
213	S	91.9	Very high	90.5	Very high	85 Å²	85	70.5 Å²	70.5	59%	0.594	37%	0.365	S	S	*	.	H	α-helix	trans	-62.7	-45.3	176.7	51.4	0	0	0	0	112	M211 R216 E217	M211-S213 VanDerWaalsContact C-N 3.27Å; M211-S213 PolarHBondContact O-N 3.4Å; S213-R216 PolarHBondContact O-N 2.96Å; S213-E217 PolarHBondContact O-N 3.06Å; S213-E217 VanDerWaalsContact O-N 3.11Å
214	E	90.8	Very high	90.3	Very high	59 Å²	59	74.7 Å²	74.7	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-40.7	179.5	-67.9	175.1	163.5	0	0	111.1	Y180 L210 M211 E217 A218	Y180-E214 HydrophobicContact CD1-CB 3.86Å; Y180-E214 HydrophobicContact CE1-CB 3.7Å; Y180-E214 HydrophobicContact CE1-CG 4.12Å; Y180-E214 WeakPolarHBondContact CE1-O 3.38Å; L210-E214 HydrophobicContact CD2-CB 3.97Å; M211-E214 HydrophobicContact CB-CB 4.36Å; M211-E214 HydrophobicContact CB-CG 4.08Å; M211-E214 PolarHBondContact N-OE2 3.45Å; M211-E214 VanDerWaalsContact N-OE2 3.17Å; M211-E214 PolarHBondContact O-N 2.85Å; M211-E214 VanDerWaalsContact O-N 3.17Å; E214-E217 PolarHBondContact O-N 3.4Å; E214-A218 VanDerWaalsContact O-CB 3.28Å; E214-A218 WeakPolarHBondContact O-CB 3.2Å; E214-A218 PolarHBondContact O-N 2.9Å
215	F	91.9	Very high	90	Very high	53 Å²	53	73 Å²	73	23%	0.232	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-45.1	176.7	173.4	-112.9	0	0	0	112.6	V190 V204 I206 L210 M211 E212 E217 A218 L219	V190-F215 HydrophobicContact CG1-CD2 4.48Å; V190-F215 HydrophobicContact CG1-CE2 4.14Å; V190-F215 HydrophobicContact CG2-CD2 4.4Å; V204-F215 HydrophobicContact CG1-CE2 3.83Å; V204-F215 HydrophobicContact CG1-CZ 3.85Å; I206-F215 HydrophobicContact CD1-CD2 3.49Å; I206-F215 VanDerWaalsContact CD1-CD2 3.49Å; I206-F215 HydrophobicContact CD1-CE2 3.2Å; I206-F215 HydrophobicContact CD1-CG 4.3Å; I206-F215 HydrophobicContact CD1-CZ 3.78Å; I206-F215 HydrophobicContact CG1-CD2 4.15Å; I206-F215 HydrophobicContact CG1-CE2 3.69Å; L210-F215 HydrophobicContact CB-CB 4.44Å; L210-F215 HydrophobicContact CD1-CD2 4.49Å; M211-F215 WeakPolarHBondContact O-CB 3.27Å; M211-F215 PolarHBondContact O-N 3.35Å; E212-F215 PolarHBondContact O-N 2.8Å; F215-E217 VanDerWaalsContact C-N 3.35Å; F215-A218 PolarHBondContact O-N 2.93Å; F215-L219 HydrophobicContact CD1-CD1 4.21Å; F215-L219 HydrophobicContact CD2-CD1 4.47Å; F215-L219 HydrophobicContact CD2-CG 4.34Å; F215-L219 HydrophobicContact CE1-CD1 3.53Å; F215-L219 HydrophobicContact CE1-CG 4.39Å; F215-L219 HydrophobicContact CE2-CD1 3.81Å; F215-L219 HydrophobicContact CE2-CD2 4.23Å; F215-L219 HydrophobicContact CE2-CG 3.85Å; F215-L219 HydrophobicContact CZ-CD1 3.33Å; F215-L219 HydrophobicContact CZ-CD2 4.38Å; F215-L219 HydrophobicContact CZ-CG 3.92Å; F215-L219 WeakPolarHBondContact O-CG 3.19Å; F215-L219 PolarHBondContact O-N 2.79Å
216	R	93.2	Very high	89.7	Confident	155 Å²	155	70.5 Å²	70.5	59%	0.585	36%	0.361	S	S	*	.	H	α-helix	trans	-62.9	-42.6	176.8	-70.1	178.7	-175.8	-158.5	3.8	111.6	E212 S213 L219 E220	E212-R216 WeakPolarHBondContact O-CG 3.42Å; E212-R216 PolarHBondContact O-N 2.79Å; E212-R216 VanDerWaalsContact O-N 3.1Å; E212-R216 IonicContact OE1-CZ 3.35Å; E212-R216 IonicContact OE1-NE 3.49Å; E212-R216 PolarHBondContact OE1-NE 3.11Å; E212-R216 IonicContact OE1-NH2 2.66Å; E212-R216 PolarHBondContact OE1-NH2 2.92Å; S213-R216 PolarHBondContact O-N 2.96Å; R216-L219 PolarHBondContact O-N 3.02Å; R216-E220 PolarHBondContact O-N 2.82Å; R216-E220 VanDerWaalsContact O-N 3.15Å
217	E	92.4	Very high	89.6	Confident	93 Å²	93	71.4 Å²	71.4	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-41.5	176.8	-166.8	-177.1	173.4	0	0	111.6	Y180 S213 E214 F215 E220 K221	Y180-E217 PolarHBondContact OH-OE1 3.19Å; Y180-E217 PolarHBondContact OH-OE2 3Å; S213-E217 PolarHBondContact O-N 3.06Å; S213-E217 VanDerWaalsContact O-N 3.11Å; E214-E217 PolarHBondContact O-N 3.4Å; F215-E217 VanDerWaalsContact C-N 3.35Å; E217-E220 PolarHBondContact O-N 2.95Å; E217-K221 HydrophobicContact CG-CD 4.31Å; E217-K221 WeakPolarHBondContact O-CB 3.27Å; E217-K221 WeakPolarHBondContact O-CG 3.15Å; E217-K221 PolarHBondContact O-N 2.78Å; E217-K221 WeakPolarHBondContact OE1-CE 3.46Å; E217-K221 IonicContact OE1-NZ 3.31Å; E217-K221 PolarHBondContact OE1-NZ 3.13Å
218	A	90	Very high	89.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-43.4	177	0	0	0	0	0	111.9	M178 Y180 V190 E214 F215 L222	M178-A218 VanDerWaalsContact CE-CA 3.46Å; M178-A218 HydrophobicContact CE-CB 3.68Å; M178-A218 WeakPolarHBondContact CE-O 3.32Å; Y180-A218 HydrophobicContact CD1-CB 4Å; Y180-A218 HydrophobicContact CD2-CB 4.14Å; Y180-A218 HydrophobicContact CG-CB 3.72Å; V190-A218 HydrophobicContact CG2-CB 4.34Å; E214-A218 VanDerWaalsContact O-CB 3.28Å; E214-A218 WeakPolarHBondContact O-CB 3.2Å; E214-A218 PolarHBondContact O-N 2.9Å; F215-A218 PolarHBondContact O-N 2.93Å; A218-L222 WeakPolarHBondContact O-CB 3.46Å; A218-L222 PolarHBondContact O-N 3.18Å
219	L	92.4	Very high	89.1	Confident	22 Å²	22	72.7 Å²	72.7	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-43.9	177.8	-79.5	-180	0	0	0	113	V190 A192 F201 V204 F215 R216 L222 K223	V190-L219 HydrophobicContact CG1-CD2 4.04Å; A192-L219 HydrophobicContact CB-CD2 3.97Å; F201-L219 HydrophobicContact CE1-CD2 4.28Å; F201-L219 HydrophobicContact CZ-CB 4.41Å; V204-L219 HydrophobicContact CG1-CD2 3.96Å; V204-L219 HydrophobicContact CG2-CD2 4.06Å; F215-L219 HydrophobicContact CD1-CD1 4.21Å; F215-L219 HydrophobicContact CD2-CD1 4.47Å; F215-L219 HydrophobicContact CD2-CG 4.34Å; F215-L219 HydrophobicContact CE1-CD1 3.53Å; F215-L219 HydrophobicContact CE1-CG 4.39Å; F215-L219 HydrophobicContact CE2-CD1 3.81Å; F215-L219 HydrophobicContact CE2-CD2 4.23Å; F215-L219 HydrophobicContact CE2-CG 3.85Å; F215-L219 HydrophobicContact CZ-CD1 3.33Å; F215-L219 HydrophobicContact CZ-CD2 4.38Å; F215-L219 HydrophobicContact CZ-CG 3.92Å; F215-L219 WeakPolarHBondContact O-CG 3.19Å; F215-L219 PolarHBondContact O-N 2.79Å; R216-L219 PolarHBondContact O-N 3.02Å; L219-L222 PolarHBondContact O-N 3.08Å; L219-K223 VanDerWaalsContact O-CB 3.26Å; L219-K223 WeakPolarHBondContact O-CB 3.23Å; L219-K223 PolarHBondContact O-N 2.88Å
220	E	92.8	Very high	88.9	Confident	110 Å²	110	67.1 Å²	67.1	51%	0.514	32%	0.318	S	S	.	.	H	α-helix	trans	-68.3	-41	179	-71.5	-61.4	162.5	0	0	111.8	R216 E217 K223 H224	R216-E220 PolarHBondContact O-N 2.82Å; R216-E220 VanDerWaalsContact O-N 3.15Å; E217-E220 PolarHBondContact O-N 2.95Å; E220-K223 PolarHBondContact O-N 3Å; E220-K223 IonicContact OE2-NZ 3.87Å; E220-H224 WeakPolarHBondContact O-CB 3.42Å; E220-H224 PolarHBondContact O-N 3.35Å
221	K	89.9	Confident	89	Confident	85 Å²	85	67.8 Å²	67.8	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-48.6	172.3	-76.3	176.2	-177	167.9	0	111.1	M178 Y180 E217 K223 H224 T225	M178-K221 HydrophobicContact CE-CB 3.99Å; M178-K221 HydrophobicContact SD-CB 4.3Å; Y180-K221 HydrophobicContact CE2-CD 4.16Å; Y180-K221 PolarHBondContact OH-NZ 2.97Å; E217-K221 HydrophobicContact CG-CD 4.31Å; E217-K221 WeakPolarHBondContact O-CB 3.27Å; E217-K221 WeakPolarHBondContact O-CG 3.15Å; E217-K221 PolarHBondContact O-N 2.78Å; E217-K221 WeakPolarHBondContact OE1-CE 3.46Å; E217-K221 IonicContact OE1-NZ 3.31Å; E217-K221 PolarHBondContact OE1-NZ 3.13Å; K221-K223 PolarHBondContact O-N 3.05Å; K221-H224 WeakPolarHBondContact O-CB 3.3Å; K221-H224 PolarHBondContact O-N 2.91Å; K221-T225 PolarHBondContact O-N 2.86Å; K221-T225 PolarHBondContact O-OG1 2.82Å
222	L	87.9	Confident	88.8	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-43.3	179.8	-176.9	61.9	0	0	0	111.7	L30 M178 A192 A218 L219 H224 T225 C226	L30-L222 HydrophobicContact CD1-CD1 3.72Å; M178-L222 HydrophobicContact CB-CD1 4.15Å; M178-L222 HydrophobicContact CE-CB 4.41Å; A192-L222 HydrophobicContact CB-CD2 3.55Å; A218-L222 WeakPolarHBondContact O-CB 3.46Å; A218-L222 PolarHBondContact O-N 3.18Å; L219-L222 PolarHBondContact O-N 3.08Å; L222-H224 VanDerWaalsContact C-N 3.35Å; L222-H224 PolarHBondContact O-N 2.78Å; L222-T225 PolarHBondContact O-N 3.38Å; L222-C226 VanDerWaalsContact O-CB 3.31Å; L222-C226 WeakPolarHBondContact O-CB 3.2Å; L222-C226 PolarHBondContact O-N 2.81Å; L222-C226 PolarHBondContact O-SG 3.16Å
223	K	91.2	Very high	88.5	Confident	41 Å²	41	60.1 Å²	60.1	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-46.2	174.8	178.1	-175.9	171.5	-171	0	111.5	F194 F201 L219 E220 K221 K227	F194-K223 HydrophobicContact CD1-CG 4.33Å; F194-K223 HydrophobicContact CD2-CG 4.26Å; F194-K223 HydrophobicContact CE1-CG 3.94Å; F194-K223 HydrophobicContact CE2-CD 3.92Å; F194-K223 HydrophobicContact CE2-CG 3.94Å; F194-K223 HydrophobicContact CG-CG 4.47Å; F194-K223 HydrophobicContact CZ-CD 3.99Å; F194-K223 VanDerWaalsContact CZ-CE 3.42Å; F194-K223 HydrophobicContact CZ-CG 3.77Å; F201-K223 HydrophobicContact CE1-CB 4.34Å; F201-K223 HydrophobicContact CE2-CD 4.34Å; F201-K223 HydrophobicContact CZ-CB 3.98Å; F201-K223 HydrophobicContact CZ-CD 3.97Å; F201-K223 HydrophobicContact CZ-CG 4.31Å; L219-K223 VanDerWaalsContact O-CB 3.26Å; L219-K223 WeakPolarHBondContact O-CB 3.23Å; L219-K223 PolarHBondContact O-N 2.88Å; E220-K223 PolarHBondContact O-N 3Å; E220-K223 IonicContact OE2-NZ 3.87Å; K221-K223 PolarHBondContact O-N 3.05Å; K223-K227 VanDerWaalsContact O-CB 3.32Å; K223-K227 WeakPolarHBondContact O-CB 3.48Å; K223-K227 PolarHBondContact O-N 2.8Å
224	H	89.7	Confident	88.3	Confident	107 Å²	107	56.1 Å²	56.1	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-51.2	178.2	-170.8	-84.8	0	0	0	111.3	E220 K221 L222 C226 K227 E228	E220-H224 WeakPolarHBondContact O-CB 3.42Å; E220-H224 PolarHBondContact O-N 3.35Å; K221-H224 WeakPolarHBondContact O-CB 3.3Å; K221-H224 PolarHBondContact O-N 2.91Å; L222-H224 VanDerWaalsContact C-N 3.35Å; L222-H224 PolarHBondContact O-N 2.78Å; H224-C226 PolarHBondContact O-N 2.93Å; H224-K227 PolarHBondContact O-N 2.94Å; H224-E228 IonicContact CE1-OE1 2.97Å; H224-E228 PolarHBondContact CE1-OE1 3.42Å; H224-E228 IonicContact CE1-OE2 3.07Å; H224-E228 PolarHBondContact CE1-OE2 2.83Å; H224-E228 IonicContact ND1-OE1 3.27Å; H224-E228 IonicContact ND1-OE2 3.56Å; H224-E228 PolarHBondContact ND1-OE2 3.14Å; H224-E228 IonicContact NE2-OE1 3.36Å; H224-E228 PolarHBondContact NE2-OE1 3.33Å; H224-E228 WeakPolarHBondContact O-CG 3.29Å; H224-E228 PolarHBondContact O-N 3.46Å
225	T	85.2	Confident	88.3	Confident	25 Å²	25	59.7 Å²	59.7	15%	0.153	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-41.6	-178.3	-43.9	0	0	0	0	112.4	L30 K221 L222 K227 E228 M229	L30-T225 HydrophobicContact CB-CG2 4.06Å; L30-T225 HydrophobicContact CD2-CG2 3.55Å; L30-T225 HydrophobicContact CG-CG2 4.34Å; K221-T225 PolarHBondContact O-N 2.86Å; K221-T225 PolarHBondContact O-OG1 2.82Å; L222-T225 PolarHBondContact O-N 3.38Å; T225-K227 VanDerWaalsContact C-N 3.32Å; T225-K227 PolarHBondContact O-N 3.31Å; T225-E228 PolarHBondContact O-N 2.86Å; T225-M229 HydrophobicContact CG2-CE 3.92Å; T225-M229 HydrophobicContact CG2-CG 4.3Å; T225-M229 HydrophobicContact CG2-SD 3.82Å; T225-M229 PolarHBondContact O-N 2.92Å
226	C	85.3	Confident	88.1	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.02	28%	0.281	C	S	.	.	I	π-helix	trans	-61.1	-40	175.2	-74.2	0	0	0	0	112.3	I174 L222 H224 L230 Y231	I174-C226 HydrophobicContact CG2-CB 3.79Å; L222-C226 VanDerWaalsContact O-CB 3.31Å; L222-C226 WeakPolarHBondContact O-CB 3.2Å; L222-C226 PolarHBondContact O-N 2.81Å; L222-C226 PolarHBondContact O-SG 3.16Å; H224-C226 PolarHBondContact O-N 2.93Å; C226-L230 HydrophobicContact CB-CD1 4.47Å; C226-L230 PolarHBondContact O-N 2.9Å; C226-Y231 PolarHBondContact O-N 3.34Å; C226-Y231 VanDerWaalsContact O-N 3.1Å
227	K	86.7	Confident	87.9	Confident	88 Å²	88	55.2 Å²	55.2	38%	0.383	27%	0.267	S	S	.	.	I	π-helix	trans	-71.2	-36.3	179.4	-171.8	174.1	-177.8	175.3	0	112.4	E199 K223 H224 T225 P232	E199-K227 IonicContact OE1-NZ 2.82Å; E199-K227 PolarHBondContact OE1-NZ 2.94Å; K223-K227 VanDerWaalsContact O-CB 3.32Å; K223-K227 WeakPolarHBondContact O-CB 3.48Å; K223-K227 PolarHBondContact O-N 2.8Å; H224-K227 PolarHBondContact O-N 2.94Å; T225-K227 VanDerWaalsContact C-N 3.32Å; T225-K227 PolarHBondContact O-N 3.31Å; K227-P232 WeakPolarHBondContact O-CD 3.28Å
228	E	82.2	Confident	87.8	Confident	115 Å²	115	51.9 Å²	51.9	54%	0.537	25%	0.252	S	S	.	.	I	π-helix	trans	-81.7	-39	-178.4	-72.1	-167.1	147.5	0	0	114	H224 T225 P232	H224-E228 IonicContact CE1-OE1 2.97Å; H224-E228 PolarHBondContact CE1-OE1 3.42Å; H224-E228 IonicContact CE1-OE2 3.07Å; H224-E228 PolarHBondContact CE1-OE2 2.83Å; H224-E228 IonicContact ND1-OE1 3.27Å; H224-E228 IonicContact ND1-OE2 3.56Å; H224-E228 PolarHBondContact ND1-OE2 3.14Å; H224-E228 IonicContact NE2-OE1 3.36Å; H224-E228 PolarHBondContact NE2-OE1 3.33Å; H224-E228 WeakPolarHBondContact O-CG 3.29Å; H224-E228 PolarHBondContact O-N 3.46Å; T225-E228 PolarHBondContact O-N 2.86Å; E228-P232 WeakPolarHBondContact O-CD 3.5Å; E228-P232 VanDerWaalsContact O-CG 3.31Å; E228-P232 WeakPolarHBondContact O-CG 3.43Å
229	M	81.8	Confident	87.9	Confident	62 Å²	62	55.8 Å²	55.8	31%	0.305	27%	0.273	S	S	.	.	I	π-helix	trans	-101.4	-56.6	-172.1	-60.7	-172.4	-172.2	0	0	112.7	K32 T225 A233	K32-M229 HydrophobicContact CB-CE 4.36Å; K32-M229 HydrophobicContact CG-CE 3.43Å; K32-M229 VanDerWaalsContact CG-CE 3.43Å; T225-M229 HydrophobicContact CG2-CE 3.92Å; T225-M229 HydrophobicContact CG2-CG 4.3Å; T225-M229 HydrophobicContact CG2-SD 3.82Å; T225-M229 PolarHBondContact O-N 2.92Å; M229-A233 WeakPolarHBondContact O-CB 3.47Å
230	L	84.5	Confident	87.8	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.073	28%	0.284	C	S	.	.	I	π-helix	trans	-74.6	-41.3	-170.9	-66.8	170.3	0	0	0	111.9	L30 F36 I174 S175 C226 A233 M234	L30-L230 HydrophobicContact CD2-CD1 4.42Å; F36-L230 HydrophobicContact CD1-CD2 4.04Å; F36-L230 HydrophobicContact CD2-CD2 3.82Å; F36-L230 HydrophobicContact CE1-CD2 3.69Å; F36-L230 HydrophobicContact CE2-CD2 3.48Å; F36-L230 VanDerWaalsContact CE2-CD2 3.48Å; F36-L230 HydrophobicContact CG-CD2 4.08Å; F36-L230 HydrophobicContact CZ-CD2 3.39Å; I174-L230 HydrophobicContact CD1-CB 4.27Å; I174-L230 HydrophobicContact CG2-CB 3.67Å; I174-L230 HydrophobicContact CG2-CD1 3.68Å; I174-L230 HydrophobicContact CG2-CG 4.34Å; S175-L230 WeakPolarHBondContact O-CD1 3.35Å; C226-L230 HydrophobicContact CB-CD1 4.47Å; C226-L230 PolarHBondContact O-N 2.9Å; L230-A233 PolarHBondContact O-N 2.51Å; L230-M234 WeakPolarHBondContact O-CG 3.47Å; L230-M234 PolarHBondContact O-N 3.39Å
231	Y	87.5	Confident	87.6	Confident	48 Å²	48	53.3 Å²	53.3	19%	0.188	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-49.3	-177.3	-176.1	-110.2	0	0	0	113.3	L172 I174 P196 C226 A233 R235	L172-Y231 HydrophobicContact CD1-CE2 4.42Å; I174-Y231 HydrophobicContact CD1-CD2 3.72Å; I174-Y231 HydrophobicContact CD1-CG 3.97Å; P196-Y231 HydrophobicContact CB-CD1 4.49Å; P196-Y231 HydrophobicContact CB-CD2 3.81Å; P196-Y231 HydrophobicContact CB-CE2 3.99Å; P196-Y231 HydrophobicContact CB-CG 4.06Å; P196-Y231 HydrophobicContact CG-CD2 3.6Å; P196-Y231 HydrophobicContact CG-CE2 4.1Å; P196-Y231 HydrophobicContact CG-CG 4.05Å; C226-Y231 PolarHBondContact O-N 3.34Å; C226-Y231 VanDerWaalsContact O-N 3.1Å; Y231-A233 VanDerWaalsContact C-N 3.33Å; Y231-A233 PolarHBondContact O-N 2.89Å; Y231-R235 WeakPolarHBondContact O-CB 3.25Å; Y231-R235 PolarHBondContact O-N 3.21Å
232	P	87.2	Confident	87.7	Confident	64 Å²	64	53.1 Å²	53.1	42%	0.416	27%	0.267	S	S	.	.	H	α-helix	trans	-64.4	-38.9	179.4	-23.8	38.2	0	0	0	112.1	K227 E228 R235 S236	K227-P232 WeakPolarHBondContact O-CD 3.28Å; E228-P232 WeakPolarHBondContact O-CD 3.5Å; E228-P232 VanDerWaalsContact O-CG 3.31Å; E228-P232 WeakPolarHBondContact O-CG 3.43Å; P232-R235 PolarHBondContact O-N 2.99Å; P232-S236 WeakPolarHBondContact O-CB 3.34Å; P232-S236 PolarHBondContact O-N 3.04Å; P232-S236 PolarHBondContact O-OG 3.37Å; P232-S236 VanDerWaalsContact O-OG 3.12Å
233	A	85.2	Confident	87.8	Confident	31 Å²	31	57.9 Å²	57.9	26%	0.256	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-47.2	179	0	0	0	0	0	112.5	F36 M229 L230 Y231 R235 S236 E237	F36-A233 HydrophobicContact CD1-CB 4.09Å; F36-A233 HydrophobicContact CE1-CB 3.89Å; M229-A233 WeakPolarHBondContact O-CB 3.47Å; L230-A233 PolarHBondContact O-N 2.51Å; Y231-A233 VanDerWaalsContact C-N 3.33Å; Y231-A233 PolarHBondContact O-N 2.89Å; A233-R235 VanDerWaalsContact C-N 3.34Å; A233-R235 PolarHBondContact O-N 2.88Å; A233-S236 PolarHBondContact O-OG 2.97Å; A233-E237 WeakPolarHBondContact O-CG 3.42Å; A233-E237 PolarHBondContact O-N 2.98Å
234	M	86.8	Confident	87.7	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-38.7	176.3	-69.1	178.8	71.2	0	0	111.7	F36 N156 L160 I174 L230 L238	F36-M234 HydrophobicContact CE1-CG 4.4Å; F36-M234 HydrophobicContact CZ-CG 4.23Å; N156-M234 HydrophobicContact CB-CE 4.13Å; N156-M234 HydrophobicContact CB-SD 4.17Å; N156-M234 VanDerWaalsContact O-CE 3.23Å; N156-M234 WeakPolarHBondContact O-CE 3.44Å; L160-M234 HydrophobicContact CB-CE 4.08Å; L160-M234 HydrophobicContact CD1-CB 4.23Å; L160-M234 HydrophobicContact CD1-CE 4.05Å; I174-M234 HydrophobicContact CG1-SD 4.27Å; L230-M234 WeakPolarHBondContact O-CG 3.47Å; L230-M234 PolarHBondContact O-N 3.39Å; M234-L238 WeakPolarHBondContact O-CG 3.33Å; M234-L238 PolarHBondContact O-N 2.84Å; M234-L238 VanDerWaalsContact O-N 3.14Å
235	R	90.2	Very high	87.7	Confident	134 Å²	134	57.2 Å²	57.2	51%	0.506	29%	0.288	S	S	.	.	H	α-helix	trans	-67.3	-42	178.7	-176.9	179.5	175.4	-169.9	-0.6	112.1	Y231 P232 A233 L238 L239	Y231-R235 WeakPolarHBondContact O-CB 3.25Å; Y231-R235 PolarHBondContact O-N 3.21Å; P232-R235 PolarHBondContact O-N 2.99Å; A233-R235 VanDerWaalsContact C-N 3.34Å; A233-R235 PolarHBondContact O-N 2.88Å; R235-L238 PolarHBondContact O-N 2.84Å; R235-L239 HydrophobicContact CG-CD1 4.25Å; R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 3.29Å
236	S	89	Confident	87.9	Confident	51 Å²	51	61.8 Å²	61.8	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-44.7	178.3	57.4	0	0	0	0	111.2	P232 A233 L238 L239 D240	P232-S236 WeakPolarHBondContact O-CB 3.34Å; P232-S236 PolarHBondContact O-N 3.04Å; P232-S236 PolarHBondContact O-OG 3.37Å; P232-S236 VanDerWaalsContact O-OG 3.12Å; A233-S236 PolarHBondContact O-OG 2.97Å; S236-L238 VanDerWaalsContact C-N 3.34Å; S236-L238 PolarHBondContact O-N 3.25Å; S236-L239 PolarHBondContact O-N 3.24Å; S236-D240 WeakPolarHBondContact O-CB 3.45Å; S236-D240 PolarHBondContact O-N 3.04Å
237	E	88.7	Confident	88.2	Confident	64 Å²	64	68.2 Å²	68.2	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-40.1	177.4	-74	-60.1	137.5	0	0	112.6	V38 A233 D240 S241	V38-E237 HydrophobicContact CB-CG 4.12Å; V38-E237 HydrophobicContact CG1-CB 4.25Å; V38-E237 HydrophobicContact CG1-CG 4.13Å; V38-E237 VanDerWaalsContact O-CD 3.28Å; V38-E237 WeakPolarHBondContact O-CG 3.28Å; A233-E237 WeakPolarHBondContact O-CG 3.42Å; A233-E237 PolarHBondContact O-N 2.98Å; E237-D240 PolarHBondContact O-N 3.46Å; E237-S241 WeakPolarHBondContact O-CB 3.4Å; E237-S241 PolarHBondContact O-N 2.75Å
238	L	90.2	Very high	88.2	Confident	23 Å²	23	72.8 Å²	72.8	12%	0.12	35%	0.35	C	S	.	.	H	α-helix	trans	-63.7	-46.1	174.5	-76.7	169.7	0	0	0	111.6	C40 L160 A163 L172 M234 R235 S236 D240 S241 L242	C40-L238 HydrophobicContact CB-CD2 4.48Å; L160-L238 HydrophobicContact CD1-CD1 3.82Å; L160-L238 HydrophobicContact CD1-CD2 3.83Å; L160-L238 HydrophobicContact CD1-CG 3.57Å; L160-L238 HydrophobicContact CG-CD2 4.36Å; A163-L238 HydrophobicContact CB-CD1 3.95Å; A163-L238 HydrophobicContact CB-CD2 4.01Å; L172-L238 HydrophobicContact CD1-CD1 3.58Å; L172-L238 HydrophobicContact CD2-CD1 3.73Å; L172-L238 HydrophobicContact CG-CD1 4.3Å; M234-L238 WeakPolarHBondContact O-CG 3.33Å; M234-L238 PolarHBondContact O-N 2.84Å; M234-L238 VanDerWaalsContact O-N 3.14Å; R235-L238 PolarHBondContact O-N 2.84Å; S236-L238 VanDerWaalsContact C-N 3.34Å; S236-L238 PolarHBondContact O-N 3.25Å; L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.73Å; L238-S241 PolarHBondContact O-N 2.88Å; L238-S241 PolarHBondContact O-OG 2.79Å; L238-L242 WeakPolarHBondContact O-CG 3.32Å; L238-L242 PolarHBondContact O-N 3.26Å
239	L	91.9	Very high	88.4	Confident	81 Å²	81	73.1 Å²	73.1	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-41	178.4	-71.4	173.6	0	0	0	111.8	R235 S236 L242 K243	R235-L239 HydrophobicContact CG-CD1 4.25Å; R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 3.29Å; S236-L239 PolarHBondContact O-N 3.24Å; L239-L242 PolarHBondContact O-N 2.84Å; L239-K243 WeakPolarHBondContact O-CG 3.47Å; L239-K243 PolarHBondContact O-N 3.43Å
240	D	90.7	Very high	88.7	Confident	65 Å²	65	75.8 Å²	75.8	35%	0.348	37%	0.367	S	S	.	.	H	α-helix	trans	-71.8	-33.3	179.3	-70.6	-16.2	0	0	0	111.9	S236 E237 L238 K243 N244	S236-D240 WeakPolarHBondContact O-CB 3.45Å; S236-D240 PolarHBondContact O-N 3.04Å; E237-D240 PolarHBondContact O-N 3.46Å; L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.73Å; D240-K243 IonicContact OD1-NZ 2.97Å; D240-K243 PolarHBondContact OD1-NZ 2.81Å; D240-N244 WeakPolarHBondContact O-CB 3.23Å; D240-N244 PolarHBondContact O-N 3.43Å; D240-N244 PolarHBondContact O-ND2 2.79Å; D240-N244 VanDerWaalsContact O-ND2 3.12Å
241	S	88.8	Confident	88.6	Confident	16 Å²	16	77.2 Å²	77.2	11%	0.112	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-41.1	171.1	79.1	0	0	0	0	112.2	E237 L238 N244 E245	E237-S241 WeakPolarHBondContact O-CB 3.4Å; E237-S241 PolarHBondContact O-N 2.75Å; L238-S241 PolarHBondContact O-N 2.88Å; L238-S241 PolarHBondContact O-OG 2.79Å; S241-N244 PolarHBondContact O-N 3.11Å; S241-E245 PolarHBondContact O-N 2.83Å
242	L	90.6	Very high	88.1	Confident	80 Å²	80	82 Å²	82	42%	0.419	41%	0.409	S	S	.	.	H	α-helix	trans	-67.1	-45.9	177.3	-70.2	172.3	0	0	0	112.1	L238 L239 N244 E245 E246	L238-L242 WeakPolarHBondContact O-CG 3.32Å; L238-L242 PolarHBondContact O-N 3.26Å; L239-L242 PolarHBondContact O-N 2.84Å; L242-N244 PolarHBondContact O-N 3.31Å; L242-E245 WeakPolarHBondContact O-CB 3.49Å; L242-E245 PolarHBondContact O-N 2.94Å; L242-E245 VanDerWaalsContact O-N 3.11Å; L242-E246 WeakPolarHBondContact O-CG 3.21Å; L242-E246 PolarHBondContact O-N 3.13Å
243	K	91.5	Very high	87.2	Confident	103 Å²	103	85.9 Å²	85.9	45%	0.448	43%	0.426	S	S	.	.	H	α-helix	trans	-58.8	-37.2	174.8	-69.8	170.4	-166.8	159.1	0	112	L239 D240 E246 K247	L239-K243 WeakPolarHBondContact O-CG 3.47Å; L239-K243 PolarHBondContact O-N 3.43Å; D240-K243 IonicContact OD1-NZ 2.97Å; D240-K243 PolarHBondContact OD1-NZ 2.81Å; K243-E246 PolarHBondContact O-N 2.98Å; K243-K247 WeakPolarHBondContact O-CG 3.47Å; K243-K247 PolarHBondContact O-N 2.6Å
244	N	89	Confident	86.2	Confident	85 Å²	85	93 Å²	93	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-70.5	-34.8	177.7	-72.3	-25.4	0	0	0	112.1	D240 S241 L242 R248	D240-N244 WeakPolarHBondContact O-CB 3.23Å; D240-N244 PolarHBondContact O-N 3.43Å; D240-N244 PolarHBondContact O-ND2 2.79Å; D240-N244 VanDerWaalsContact O-ND2 3.12Å; S241-N244 PolarHBondContact O-N 3.11Å; L242-N244 PolarHBondContact O-N 3.31Å; N244-R248 VanDerWaalsContact O-CG 3.31Å; N244-R248 WeakPolarHBondContact O-CG 3.36Å; N244-R248 PolarHBondContact O-N 2.86Å
245	E	88	Confident	84.6	Confident	49 Å²	49	99.6 Å²	99.6	23%	0.229	50%	0.497	C	S	.	.	H	α-helix	trans	-63.6	-47	170	-75.6	-177.3	-166.9	0	0	111.6	N41 K166 S241 L242 K247 R248 L249	N41-E245 PolarHBondContact ND2-OE1 3.47Å; K166-E245 IonicContact NZ-OE2 2.66Å; K166-E245 PolarHBondContact NZ-OE2 2.98Å; S241-E245 PolarHBondContact O-N 2.83Å; L242-E245 WeakPolarHBondContact O-CB 3.49Å; L242-E245 PolarHBondContact O-N 2.94Å; L242-E245 VanDerWaalsContact O-N 3.11Å; E245-K247 PolarHBondContact O-N 3.28Å; E245-R248 WeakPolarHBondContact O-CB 3.23Å; E245-R248 PolarHBondContact O-N 3.07Å; E245-R248 VanDerWaalsContact O-N 3.13Å; E245-L249 WeakPolarHBondContact O-CG 3.25Å; E245-L249 PolarHBondContact O-N 3.3Å; E245-L249 VanDerWaalsContact O-N 3.09Å
246	E	90.2	Very high	84.3	Confident	121 Å²	121	97.9 Å²	97.9	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-57.7	-47.5	178.2	-71.9	175.1	167.7	0	0	111.7	L242 K243 R248 L249 E250	L242-E246 WeakPolarHBondContact O-CG 3.21Å; L242-E246 PolarHBondContact O-N 3.13Å; K243-E246 PolarHBondContact O-N 2.98Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.1Å; E246-L249 PolarHBondContact O-N 3.29Å; E246-L249 VanDerWaalsContact O-N 3.15Å; E246-E250 PolarHBondContact O-N 3.25Å
247	K	90.8	Very high	84.1	Confident	138 Å²	138	100.3 Å²	100.3	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-59.3	-37	176.2	-73.4	174.7	-177.7	177.8	0	113.2	K243 E245 G251	K243-K247 WeakPolarHBondContact O-CG 3.47Å; K243-K247 PolarHBondContact O-N 2.6Å; E245-K247 PolarHBondContact O-N 3.28Å; K247-G251 PolarHBondContact O-N 3.36Å
248	R	87	Confident	83.8	Confident	185 Å²	185	102.3 Å²	102.3	70%	0.698	52%	0.516	S	S	*	.	H	α-helix	trans	-67.3	-39.1	177.4	-75.7	172.2	175.8	175	-0.1	111.6	N244 E245 E246 G251 H252	N244-R248 VanDerWaalsContact O-CG 3.31Å; N244-R248 WeakPolarHBondContact O-CG 3.36Å; N244-R248 PolarHBondContact O-N 2.86Å; E245-R248 WeakPolarHBondContact O-CB 3.23Å; E245-R248 PolarHBondContact O-N 3.07Å; E245-R248 VanDerWaalsContact O-N 3.13Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.1Å; R248-G251 PolarHBondContact O-N 2.84Å; R248-H252 PolarHBondContact O-N 3.11Å
249	L	86.9	Confident	83.4	Confident	122 Å²	122	107 Å²	107	64%	0.639	54%	0.539	S	S	*	.	H	α-helix	trans	-68.2	-41.2	177	-65.1	173.4	0	0	0	111.6	E245 E246 H252 N253	E245-L249 WeakPolarHBondContact O-CG 3.25Å; E245-L249 PolarHBondContact O-N 3.3Å; E245-L249 VanDerWaalsContact O-N 3.09Å; E246-L249 PolarHBondContact O-N 3.29Å; E246-L249 VanDerWaalsContact O-N 3.15Å; L249-H252 PolarHBondContact O-N 3.19Å; L249-N253 PolarHBondContact O-N 3.08Å
250	E	88.7	Confident	82.9	Confident	117 Å²	117	108.6 Å²	108.6	55%	0.547	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-37.9	175.3	-70.7	-176.9	176.1	0	0	112.9	E246 H252 N253 K254	E246-E250 PolarHBondContact O-N 3.25Å; E250-H252 VanDerWaalsContact C-N 3.31Å; E250-H252 PolarHBondContact O-N 2.84Å; E250-N253 PolarHBondContact O-N 3.27Å; E250-K254 PolarHBondContact O-N 3.07Å
251	G	82.5	Confident	82.4	Confident	45 Å²	45	111.5 Å²	111.5	46%	0.464	56%	0.559	S	S	.	*	H	α-helix	trans	-63.3	-36.1	177	0	0	0	0	0	112.9	K247 R248 N253 K254	K247-G251 PolarHBondContact O-N 3.36Å; R248-G251 PolarHBondContact O-N 2.84Å; G251-N253 VanDerWaalsContact C-N 3.34Å; G251-K254 PolarHBondContact O-N 2.94Å
252	H	75.8	Confident	81.9	Confident	148 Å²	148	118.4 Å²	118.4	69%	0.685	59%	0.591	S	S	*	*	H	α-helix	trans	-73.1	-25.3	178.6	-135.5	67.9	0	0	0	113.3	R248 L249 E250 K254 S255	R248-H252 PolarHBondContact O-N 3.11Å; L249-H252 PolarHBondContact O-N 3.19Å; E250-H252 VanDerWaalsContact C-N 3.31Å; E250-H252 PolarHBondContact O-N 2.84Å; H252-K254 VanDerWaalsContact C-N 3.35Å; H252-S255 PolarHBondContact O-OG 3.22Å; H252-S255 VanDerWaalsContact O-OG 3.12Å
253	N	69.1	Low	81.2	Confident	146 Å²	146	121.3 Å²	121.3	78%	0.781	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-9.9	176.8	-78.3	-15.7	0	0	0	113.6	L249 E250 G251	L249-N253 PolarHBondContact O-N 3.08Å; E250-N253 PolarHBondContact O-N 3.27Å; G251-N253 VanDerWaalsContact C-N 3.34Å
254	K	63.5	Low	80.4	Confident	180 Å²	180	122.8 Å²	122.8	78%	0.783	62%	0.618	S	S	*	*			trans	-100.7	-6.5	178.8	-71.7	-179.7	-179.6	172.5	0	113.5	E250 G251 H252	E250-K254 PolarHBondContact O-N 3.07Å; G251-K254 PolarHBondContact O-N 2.94Å; H252-K254 VanDerWaalsContact C-N 3.35Å
255	S	53.1	Low	79.6	Confident	138 Å²	138	126.3 Å²	126.3	97%	0.965	63%	0.632	S	S	*	*			trans	-102.9	0	174.1	53.8	0	0	0	0	110.8	H252	H252-S255 PolarHBondContact O-OG 3.22Å; H252-S255 VanDerWaalsContact O-OG 3.12Å

Retrieved 255 of 255 residues in 188 ms (Link to these results)

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