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Ran-specific GTPase-activating protein

Plays a role in RAN-dependent nucleocytoplasmic transport. Alleviates the TNPO1-dependent inhibition of RAN GTPase activity and mediates the dissociation of RAN from proteins involved in transport into the nucleus¹. Induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins (By similarity). Promotes the disassembly of the complex formed by RAN and importin beta. Promotes dissociation of RAN from a complex with KPNA2 and CSE1L². Required for normal mitotic spindle assembly and normal progress through mitosis via its effect on RAN (By similarity). Does not increase the RAN GTPase activity by itself, but increases GTP hydrolysis mediated by RANGAP1³. Inhibits RCC1-dependent exchange of RAN-bound GDP by GTP (By similarity).

AlphaFold DB , UniProt , Accession P34022, Species MOUSE (Mus musculus, Mouse), Gene Ranbp1, Length 203 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	38.9	Very low	38.7	Very low	251 Å²	251	148 Å²	148	100%	1.236	83%	0.829	S	S	*	*				0	133.1	0	-64	179.2	179.6	0	0	106.9
2	A	40.6	Very low	38.5	Very low	101 Å²	101	146.6 Å²	146.6	84%	0.835	82%	0.818	S	S	*	*			cis	-161.6	136.5	-14.4	0	0	0	0	0	103.5
3	A	37.5	Very low	38.7	Very low	109 Å²	109	143.3 Å²	143.3	90%	0.901	80%	0.804	S	S	*	*			trans	-81.1	145.2	-178.3	0	0	0	0	0	111.9
4	A	45.3	Very low	38.8	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	79%	0.789	S	S	*	*			trans	-142.5	108.4	162.1	0	0	0	0	0	106.6
5	K	42.7	Very low	39.1	Very low	203 Å²	203	138.1 Å²	138.1	88%	0.883	79%	0.787	S	S	*	*				57.2	97.5	90	-81.7	-172.4	171.9	-173.7	0	111.6
6	D	39.3	Very low	39.1	Very low	148 Å²	148	140.6 Å²	140.6	79%	0.791	79%	0.79	S	S	*	*				77.4	103.7	81.9	-171.5	39.1	0	0	0	111.9
7	S	39.2	Very low	39.6	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	79%	0.789	S	S	*	*			trans	-156.8	84.1	160.6	57	0	0	0	0	107.5	E9	S7-E9 PolarHBondContact O-N 3.39Å
8	H	32.7	Very low	40.1	Very low	147 Å²	147	137.2 Å²	137.2	68%	0.681	78%	0.78	S	S	*	*			trans	-70.7	101.7	162.9	-167.3	58.3	0	0	0	107.3	D10	H8-D10 IonicContact CD2-OD1 2.89Å; H8-D10 IonicContact CD2-OD2 2.6Å; H8-D10 IonicContact NE2-OD1 3.84Å; H8-D10 IonicContact NE2-OD2 3.84Å; H8-D10 PolarHBondContact O-N 3.21Å
9	E	37.1	Very low	40.9	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	78%	0.781	S	S	*	*			trans	-87.5	99.3	165.3	-76.6	-179.3	142.4	0	0	107.4	S7 H11	S7-E9 PolarHBondContact O-N 3.39Å; E9-H11 PolarHBondContact O-N 3.03Å
10	D	34.6	Very low	41.5	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	78%	0.783	S	S	*	*			trans	-57.9	98.7	162.5	-80	-65.1	0	0	0	108.5	H8 D12	H8-D10 IonicContact CD2-OD1 2.89Å; H8-D10 IonicContact CD2-OD2 2.6Å; H8-D10 IonicContact NE2-OD1 3.84Å; H8-D10 IonicContact NE2-OD2 3.84Å; H8-D10 PolarHBondContact O-N 3.21Å; D10-D12 PolarHBondContact O-N 2.73Å
11	H	37.4	Very low	42.4	Very low	161 Å²	161	138 Å²	138	75%	0.745	78%	0.78	S	S	*	*			trans	-74.5	78.3	165.7	-168.1	-57.4	0	0	0	107.7	E9 T13	E9-H11 PolarHBondContact O-N 3.03Å; H11-T13 WeakPolarHBondContact ND1-CG2 3.35Å; H11-T13 PolarHBondContact O-N 3.35Å
12	D	37.3	Very low	43.8	Very low	131 Å²	131	133.4 Å²	133.4	70%	0.701	76%	0.761	S	S	*	*			trans	-62.4	89.8	164.5	-165.6	-3.9	0	0	0	107.3	D10 S14	D10-D12 PolarHBondContact O-N 2.73Å; D12-S14 PolarHBondContact O-N 3.35Å
13	T	40.1	Very low	46	Very low	104 Å²	104	136.4 Å²	136.4	64%	0.638	76%	0.757	S	S	*	*			trans	-62.3	76	160.6	33.5	0	0	0	0	107.3	H11 T15	H11-T13 WeakPolarHBondContact ND1-CG2 3.35Å; H11-T13 PolarHBondContact O-N 3.35Å; T13-T15 PolarHBondContact O-N 3.22Å
14	S	41.1	Very low	48.4	Very low	85 Å²	85	137.4 Å²	137.4	59%	0.594	75%	0.747	S	S	*	*			trans	-50.2	112.9	160.1	-74	0	0	0	0	106.1	D12 E16	D12-S14 PolarHBondContact O-N 3.35Å; S14-E16 PolarHBondContact O-N 3.34Å
15	T	42.3	Very low	50.5	Low	124 Å²	124	136 Å²	136	76%	0.761	73%	0.73	S	S	*	*			trans	-64.7	77	170.8	-4.7	0	0	0	0	105.7	T13 N17	T13-T15 PolarHBondContact O-N 3.22Å; T15-N17 PolarHBondContact O-N 3.17Å; T15-N17 PolarHBondContact O-ND2 3.27Å
16	E	40	Very low	52.8	Low	177 Å²	177	134.2 Å²	134.2	83%	0.827	73%	0.725	S	S	*	*			trans	-60.6	96.9	159.1	-75.6	-169.1	123.1	0	0	104.5	S14 A18	S14-E16 PolarHBondContact O-N 3.34Å; E16-A18 PolarHBondContact O-N 3.1Å
17	N	47.5	Very low	55.5	Low	144 Å²	144	135 Å²	135	77%	0.77	72%	0.722	S	S	*	*			trans	-55	76.8	156.5	-68.5	-78	0	0	0	106.3	T15 D19	T15-N17 PolarHBondContact O-N 3.17Å; T15-N17 PolarHBondContact O-ND2 3.27Å; N17-D19 PolarHBondContact O-N 3.1Å
18	A	49.3	Very low	58.1	Low	76 Å²	76	138.6 Å²	138.6	63%	0.628	73%	0.726	S	S	*	*			trans	-64	85.8	153.3	0	0	0	0	0	104	E16 E20	E16-A18 PolarHBondContact O-N 3.1Å; A18-E20 PolarHBondContact O-N 3.36Å
19	D	53.7	Low	61	Low	152 Å²	152	137 Å²	137	81%	0.813	73%	0.729	S	S	*	*			trans	-48.6	88.9	143.6	-100	-45.3	0	0	0	104.9	N17 S21	N17-D19 PolarHBondContact O-N 3.1Å; D19-S21 PolarHBondContact O-N 3.35Å
20	E	53.9	Low	63.8	Low	174 Å²	174	136.7 Å²	136.7	81%	0.813	73%	0.732	S	S	*	*			trans	-63.1	68.4	158.1	-70.4	-170.5	121.1	0	0	106.2	A18 N22	A18-E20 PolarHBondContact O-N 3.36Å; E20-N22 PolarHBondContact O-N 3.45Å
21	S	60.8	Low	66.7	Low	102 Å²	102	135.3 Å²	135.3	71%	0.713	73%	0.728	S	S	*	*				29.2	59	112.7	169.5	0	0	0	0	112.7	D19 H23	D19-S21 PolarHBondContact O-N 3.35Å; S21-H23 PolarHBondContact O-N 3.28Å
22	N	68.1	Low	69.4	Low	156 Å²	156	133.3 Å²	133.3	83%	0.834	73%	0.732	S	S	*	*			trans	-65.9	98.2	154.7	-97.3	-24.7	0	0	0	105.4	E20 D24	E20-N22 PolarHBondContact O-N 3.45Å; N22-D24 VanDerWaalsContact C-N 3.32Å; N22-D24 PolarHBondContact O-N 3.06Å
23	H	85.5	Confident	72.2	Confident	164 Å²	164	133.9 Å²	133.9	76%	0.759	73%	0.734	S	S	*	*			trans	-61	97.3	172.6	-178.8	69.2	0	0	0	108	S21 P25	S21-H23 PolarHBondContact O-N 3.28Å; H23-P25 WeakPolarHBondContact NE2-CG 3.45Å; H23-P25 WeakPolarHBondContact O-CD 3.43Å
24	D	88.2	Confident	74.8	Confident	130 Å²	130	134.1 Å²	134.1	70%	0.695	74%	0.737	S	S	*	*			trans	-117	88.8	178	-172.6	28.9	0	0	0	108.9	N22 Q26	N22-D24 VanDerWaalsContact C-N 3.32Å; N22-D24 PolarHBondContact O-N 3.06Å; D24-Q26 PolarHBondContact O-N 3.07Å
25	P	90	Very high	77.4	Confident	62 Å²	62	139.6 Å²	139.6	40%	0.403	75%	0.753	S	S	.	*			trans	-64.2	120.7	-179.8	-21	33.3	0	0	0	111.1	H23 F27	H23-P25 WeakPolarHBondContact NE2-CG 3.45Å; H23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-F27 HydrophobicContact CB-CE2 3.82Å; P25-F27 HydrophobicContact CB-CZ 4.11Å; P25-F27 VanDerWaalsContact O-CD2 3.25Å; P25-F27 WeakPolarHBondContact O-CD2 3.31Å; P25-F27 WeakPolarHBondContact O-CE2 3.5Å
26	Q	91.7	Very high	79.9	Confident	166 Å²	166	141 Å²	141	78%	0.776	75%	0.751	S	S	*	*			trans	-81.3	131.2	177.2	-167	65.8	22.8	0	0	111.2	D24	D24-Q26 PolarHBondContact O-N 3.07Å
27	F	94.8	Very high	82.5	Confident	164 Å²	164	141 Å²	141	72%	0.719	75%	0.751	S	S	*	*			trans	-119.7	146	173.9	-61.2	-88.9	0	0	0	110.9	P25	P25-F27 HydrophobicContact CB-CE2 3.82Å; P25-F27 HydrophobicContact CB-CZ 4.11Å; P25-F27 VanDerWaalsContact O-CD2 3.25Å; P25-F27 WeakPolarHBondContact O-CD2 3.31Å; P25-F27 WeakPolarHBondContact O-CE2 3.5Å
28	E	93.6	Very high	84.7	Confident	184 Å²	184	140.9 Å²	140.9	86%	0.86	75%	0.749	S	S	*	*			trans	-72.8	129.4	170.2	-67.7	-174	-178.5	0	0	110	I30	E28-I30 PolarHBondContact O-N 3.32Å
29	P	94.2	Very high	86.8	Confident	115 Å²	115	144.6 Å²	144.6	75%	0.747	75%	0.751	S	S	*	*			trans	-61.5	127	177.5	-23.1	33.3	0	0	0	111.7	V31	P29-V31 VanDerWaalsContact C-N 3.28Å; P29-V31 PolarHBondContact O-N 3.49Å
30	I	95.8	Very high	88.8	Confident	172 Å²	172	140.9 Å²	140.9	88%	0.882	73%	0.734	S	S	*	*	S	Bend	trans	-67.9	-33.2	175.6	-56.1	174.6	0	0	0	110.7	E28	E28-I30 PolarHBondContact O-N 3.32Å
31	V	95.7	Very high	90.7	Very high	99 Å²	99	138.9 Å²	138.9	60%	0.6	73%	0.728	S	S	*	*			trans	-139.1	143.4	-177.7	-65.3	0	0	0	0	110.4	P29 L33	P29-V31 VanDerWaalsContact C-N 3.28Å; P29-V31 PolarHBondContact O-N 3.49Å; V31-L33 HydrophobicContact CG2-CD2 4.43Å; V31-L33 HydrophobicContact CG2-CG 4.24Å
32	S	94.5	Very high	92.4	Very high	119 Å²	119	135.1 Å²	135.1	83%	0.832	70%	0.699	S	S	*	*			trans	-99.5	113.8	168.4	-176.6	0	0	0	0	108.5
33	L	95	Very high	93.7	Very high	143 Å²	143	131.8 Å²	131.8	75%	0.749	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-96.7	128.8	177.6	-64.1	173.7	0	0	0	109.3	V31	V31-L33 HydrophobicContact CG2-CD2 4.43Å; V31-L33 HydrophobicContact CG2-CG 4.24Å
34	P	95.3	Very high	94.3	Very high	108 Å²	108	129.1 Å²	129.1	70%	0.701	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-67.2	152.7	172.3	29.9	-33.7	0	0	0	110.3	Q36	P34-Q36 PolarHBondContact O-N 3.17Å
35	E	95.3	Very high	94.7	Very high	201 Å²	201	123.9 Å²	123.9	94%	0.939	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-62.4	132.6	168.4	-172.9	168.8	-165.5	0	0	109.4
36	Q	94.8	Very high	95.1	Very high	152 Å²	152	126 Å²	126	71%	0.71	65%	0.646	S	S	*	*			trans	-127.6	125.6	-174.2	-175.7	176.2	-23	0	0	110.2	P34 I38	P34-Q36 PolarHBondContact O-N 3.17Å; Q36-I38 HydrophobicContact CG-CG2 4.49Å; Q36-I38 PolarHBondContact O-N 3.38Å
37	E	94.3	Very high	95.4	Very high	178 Å²	178	122.4 Å²	122.4	83%	0.832	63%	0.629	S	S	*	*			trans	-72.6	120.5	169.4	-168.9	179.5	-171.3	0	0	109.5
38	I	93.5	Very high	95.6	Very high	141 Å²	141	116.3 Å²	116.3	72%	0.723	60%	0.604	S	S	*	*			trans	-108.1	127.2	178.2	52.4	169.9	0	0	0	110	Q36	Q36-I38 HydrophobicContact CG-CG2 4.49Å; Q36-I38 PolarHBondContact O-N 3.38Å
39	K	94.6	Very high	95.8	Very high	155 Å²	155	108.8 Å²	108.8	67%	0.674	57%	0.568	S	S	*	*			trans	-88.5	146.9	174.2	-61.6	-171.7	179.6	-176.5	0	110.2	L41	K39-L41 VanDerWaalsContact C-N 3.35Å; K39-L41 HydrophobicContact CB-CD2 4.47Å
40	T	94.9	Very high	96.1	Very high	73 Å²	73	108.3 Å²	108.3	45%	0.448	55%	0.554	S	S	.	*			trans	-80.2	-22.8	177.3	62.6	0	0	0	0	112.2	E42 E43 R91	T40-E42 PolarHBondContact O-N 3.24Å; T40-E42 PolarHBondContact OG1-N 3.04Å; T40-E43 PolarHBondContact N-OE1 2.99Å; T40-E43 VanDerWaalsContact OG1-CD 3.27Å; T40-E43 PolarHBondContact OG1-OE1 3.11Å; T40-R91 PolarHBondContact O-NH2 3.33Å
41	L	94.9	Very high	96.2	Very high	133 Å²	133	101.6 Å²	101.6	70%	0.696	52%	0.52	S	S	*	.	S	Bend	trans	60.9	32.2	-169.9	-54	173.2	0	0	0	111.8	K39 E43 R87	K39-L41 VanDerWaalsContact C-N 3.35Å; K39-L41 HydrophobicContact CB-CD2 4.47Å; L41-E43 WeakPolarHBondContact CA-OE2 3.39Å; L41-E43 PolarHBondContact N-OE1 2.91Å; L41-E43 PolarHBondContact N-OE2 3.34Å; L41-R87 PolarHBondContact O-NH2 2.96Å
42	E	96	Very high	96.3	Very high	23 Å²	23	102.1 Å²	102.1	11%	0.107	51%	0.511	C	S	.	.			trans	-120.8	0.8	176.3	-59.6	171.9	-140.4	0	0	111	T40 D44 E45 K76 L78 L89 R91	T40-E42 PolarHBondContact O-N 3.24Å; T40-E42 PolarHBondContact OG1-N 3.04Å; E42-D44 PolarHBondContact O-N 3.35Å; E42-E45 PolarHBondContact O-N 3.14Å; E42-K76 IonicContact OE2-NZ 2.68Å; E42-K76 PolarHBondContact OE2-NZ 2.85Å; E42-L78 HydrophobicContact CB-CD1 4.38Å; E42-L78 HydrophobicContact CG-CD1 4.04Å; E42-L89 HydrophobicContact CG-CD2 3.69Å; E42-L89 WeakPolarHBondContact OE1-CD2 3.49Å; E42-R91 IonicContact OE1-CZ 2.83Å; E42-R91 VanDerWaalsContact OE1-CZ 3.29Å; E42-R91 IonicContact OE1-NE 2.64Å; E42-R91 PolarHBondContact OE1-NE 3.3Å; E42-R91 IonicContact OE1-NH2 3.61Å; E42-R91 PolarHBondContact OE1-NH2 3.39Å
43	E	96	Very high	96.5	Very high	86 Å²	86	96.7 Å²	96.7	40%	0.402	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.6	-169.2	-60.3	77.6	-167.7	0	0	113.4	T40 L41 E45 K81	T40-E43 PolarHBondContact N-OE1 2.99Å; T40-E43 VanDerWaalsContact OG1-CD 3.27Å; T40-E43 PolarHBondContact OG1-OE1 3.11Å; L41-E43 WeakPolarHBondContact CA-OE2 3.39Å; L41-E43 PolarHBondContact N-OE1 2.91Å; L41-E43 PolarHBondContact N-OE2 3.34Å; E43-E45 PolarHBondContact O-N 3.16Å; E43-K81 PolarHBondContact O-NZ 3.31Å
44	D	96.7	Very high	96.7	Very high	107 Å²	107	92.3 Å²	92.3	57%	0.572	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	10.6	178	-62.9	-41	0	0	0	112.9	E42 K81	E42-D44 PolarHBondContact O-N 3.35Å; D44-K81 WeakPolarHBondContact O-CB 3.49Å; D44-K81 WeakPolarHBondContact O-CD 3.37Å; D44-K81 VanDerWaalsContact O-CG 3.23Å; D44-K81 WeakPolarHBondContact O-CG 3.37Å; D44-K81 PolarHBondContact O-N 2.88Å
45	E	98	Very high	96.8	Very high	21 Å²	21	87.1 Å²	87.1	10%	0.098	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.6	-178.1	-54.7	-176.3	123	0	0	112.1	E42 E43 L78 K79 H80 R87	E42-E45 PolarHBondContact O-N 3.14Å; E43-E45 PolarHBondContact O-N 3.16Å; E45-L78 HydrophobicContact CB-CB 4.03Å; E45-L78 VanDerWaalsContact OE2-CD1 3.27Å; E45-L78 WeakPolarHBondContact OE2-CD1 3.27Å; E45-K79 CarbonylContact C-O 3.56Å; E45-K79 WeakPolarHBondContact CA-O 3.26Å; E45-H80 HydrophobicContact CG-CB 4.43Å; E45-R87 VanDerWaalsContact CD-NE 3.28Å; E45-R87 WeakPolarHBondContact OE1-CD 3.09Å; E45-R87 IonicContact OE1-CZ 3.19Å; E45-R87 IonicContact OE1-NE 2.77Å; E45-R87 PolarHBondContact OE1-NE 3.08Å; E45-R87 IonicContact OE1-NH2 3.82Å; E45-R87 IonicContact OE2-CZ 3.48Å; E45-R87 IonicContact OE2-NE 3.08Å; E45-R87 PolarHBondContact OE2-NE 3.4Å; E45-R87 IonicContact OE2-NH2 2.69Å; E45-R87 PolarHBondContact OE2-NH2 3.46Å
46	E	98	Very high	97	Very high	105 Å²	105	79 Å²	79	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.5	172.6	-176.8	-176.2	-175.9	0	0	109.5	L48 L78 K79	E46-L48 HydrophobicContact CG-CD2 4.13Å; E46-L48 PolarHBondContact O-N 2.87Å; E46-L78 CarbonylContact O-C 3.48Å; E46-L78 WeakPolarHBondContact O-CA 3.47Å; E46-K79 PolarHBondContact N-O 3.4Å; E46-K79 PolarHBondContact O-N 3.22Å
47	E	98.3	Very high	97.1	Very high	92 Å²	92	74.2 Å²	74.2	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	103.3	175.2	-171.8	177	106.3	0	0	110.2	K50 K76 L78	E47-K50 HydrophobicContact CG-CB 4.19Å; E47-K50 WeakPolarHBondContact OE1-CB 3.23Å; E47-K50 VanDerWaalsContact OE1-CD 3.25Å; E47-K50 WeakPolarHBondContact OE1-CD 3.41Å; E47-K76 WeakPolarHBondContact OE2-CD 3.22Å; E47-K76 VanDerWaalsContact OE2-CE 3.32Å; E47-K76 WeakPolarHBondContact OE2-CE 3.41Å; E47-K76 IonicContact OE2-NZ 3.84Å; E47-L78 HydrophobicContact CB-CD2 4.04Å; E47-L78 HydrophobicContact CG-CD2 4.23Å
48	L	98.4	Very high	97.2	Very high	35 Å²	35	68.5 Å²	68.5	18%	0.183	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-24.2	179.4	-59.1	-174.8	0	0	0	112.8	E46 L77 K79 I86 K154	E46-L48 HydrophobicContact CG-CD2 4.13Å; E46-L48 PolarHBondContact O-N 2.87Å; L48-L77 HydrophobicContact CB-CB 4.36Å; L48-L77 PolarHBondContact N-O 2.74Å; L48-K79 HydrophobicContact CD1-CB 3.79Å; L48-K79 HydrophobicContact CD1-CD 4.34Å; L48-K79 HydrophobicContact CD2-CB 4.28Å; L48-K79 HydrophobicContact CG-CB 3.98Å; L48-I86 HydrophobicContact CD1-CD1 3.99Å; L48-I86 HydrophobicContact CD1-CG1 4.37Å; L48-I86 HydrophobicContact CD1-CG2 4.44Å; L48-K154 WeakPolarHBondContact O-CE 3.12Å
49	F	98.7	Very high	97.2	Very high	26 Å²	26	61.8 Å²	61.8	11%	0.114	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	143.3	-178.4	-175.7	-95	0	0	0	109.6	M51 V75 K76 L77 K150 F151 K154	F49-M51 HydrophobicContact CD1-CB 4.35Å; F49-M51 HydrophobicContact CE1-CB 3.36Å; F49-M51 HydrophobicContact CE2-CE 3.81Å; F49-M51 HydrophobicContact CZ-CB 3.5Å; F49-M51 VanDerWaalsContact CZ-CB 3.5Å; F49-M51 HydrophobicContact CZ-CE 3.5Å; F49-M51 HydrophobicContact CZ-CG 4.25Å; F49-M51 HydrophobicContact CZ-SD 3.78Å; F49-V75 HydrophobicContact CE1-CG1 4.23Å; F49-K76 VanDerWaalsContact O-CA 3.22Å; F49-K76 WeakPolarHBondContact O-CA 3.5Å; F49-L77 HydrophobicContact CB-CB 3.96Å; F49-L77 HydrophobicContact CB-CD1 4.08Å; F49-L77 HydrophobicContact CB-CG 3.99Å; F49-L77 PolarHBondContact O-N 2.99Å; F49-K150 HydrophobicContact CE2-CB 4.44Å; F49-F151 HydrophobicContact CD1-CD2 4.08Å; F49-F151 HydrophobicContact CE1-CB 4.18Å; F49-F151 AromaticContact CE1-CD2 3.6Å; F49-F151 HydrophobicContact CE1-CD2 3.6Å; F49-F151 HydrophobicContact CE1-CG 4.38Å; F49-F151 HydrophobicContact CZ-CB 3.79Å; F49-F151 HydrophobicContact CZ-CD2 4.08Å; F49-F151 HydrophobicContact CZ-CG 4.46Å; F49-K154 HydrophobicContact CB-CG 3.83Å; F49-K154 HydrophobicContact CD2-CB 3.89Å; F49-K154 HydrophobicContact CD2-CG 3.93Å; F49-K154 HydrophobicContact CE2-CB 4.49Å; F49-K154 HydrophobicContact CG-CB 4.43Å; F49-K154 HydrophobicContact CG-CG 4.22Å
50	K	98.5	Very high	97.1	Very high	105 Å²	105	58.3 Å²	58.3	46%	0.457	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	129.5	169.3	177.4	178.1	177.2	-178.5	0	110.4	E47 D74 V75 K76	E47-K50 HydrophobicContact CG-CB 4.19Å; E47-K50 WeakPolarHBondContact OE1-CB 3.23Å; E47-K50 VanDerWaalsContact OE1-CD 3.25Å; E47-K50 WeakPolarHBondContact OE1-CD 3.41Å; K50-D74 WeakPolarHBondContact CE-OD2 3.46Å; K50-D74 HydrophobicContact CG-CB 4.26Å; K50-D74 IonicContact NZ-OD2 2.74Å; K50-V75 WeakPolarHBondContact CA-O 3.2Å; K50-K76 HydrophobicContact CB-CG 4.47Å; K50-K76 HydrophobicContact CG-CG 4.34Å
51	M	98.3	Very high	96.9	Very high	32 Å²	32	61.2 Å²	61.2	16%	0.158	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	148.2	177.2	-165	170.5	-72.7	0	0	112.7	F49 D74 V75 F142 N147 K150	F49-M51 HydrophobicContact CD1-CB 4.35Å; F49-M51 HydrophobicContact CE1-CB 3.36Å; F49-M51 HydrophobicContact CE2-CE 3.81Å; F49-M51 HydrophobicContact CZ-CB 3.5Å; F49-M51 VanDerWaalsContact CZ-CB 3.5Å; F49-M51 HydrophobicContact CZ-CE 3.5Å; F49-M51 HydrophobicContact CZ-CG 4.25Å; F49-M51 HydrophobicContact CZ-SD 3.78Å; M51-D74 CarbonylContact O-C 3.51Å; M51-D74 WeakPolarHBondContact O-CA 3.17Å; M51-V75 PolarHBondContact N-O 3.35Å; M51-V75 VanDerWaalsContact O-CG1 3.31Å; M51-V75 WeakPolarHBondContact O-CG1 3.41Å; M51-V75 PolarHBondContact O-N 2.87Å; M51-F142 HydrophobicContact CB-CE1 4.38Å; M51-F142 HydrophobicContact CG-CD1 4.21Å; M51-F142 HydrophobicContact CG-CE1 4.34Å; M51-F142 HydrophobicContact SD-CD1 3.84Å; M51-F142 HydrophobicContact SD-CE1 4.12Å; M51-N147 HydrophobicContact CE-CB 4.4Å; M51-N147 HydrophobicContact SD-CB 3.46Å; M51-N147 WeakPolarHBondContact SD-CB 3.22Å; M51-K150 HydrophobicContact CE-CB 4.23Å; M51-K150 HydrophobicContact CE-CD 4.29Å
52	R	98.6	Very high	96.5	Very high	110 Å²	110	57.3 Å²	57.3	42%	0.415	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	129.6	172.4	-178.5	62	172.7	-170.3	-0.5	112	G73 D93	R52-G73 VanDerWaalsContact NH1-CA 3.31Å; R52-D93 IonicContact CZ-OD1 4Å; R52-D93 IonicContact CZ-OD2 2.96Å; R52-D93 IonicContact NH1-OD1 3.5Å; R52-D93 PolarHBondContact NH1-OD1 3.31Å; R52-D93 IonicContact NH1-OD2 2.83Å; R52-D93 PolarHBondContact NH1-OD2 2.91Å; R52-D93 IonicContact NH2-OD1 3.7Å; R52-D93 IonicContact NH2-OD2 3.87Å; R52-D93 PolarHBondContact NH2-OD2 2.88Å
53	A	98.6	Very high	96.1	Very high	5 Å²	5	64.5 Å²	64.5	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	168.4	177.8	0	0	0	0	0	113.5	G73 V75 M90 I140 R141 F142	A53-G73 PolarHBondContact N-O 3.41Å; A53-G73 PolarHBondContact O-N 2.85Å; A53-G73 VanDerWaalsContact O-N 3.07Å; A53-G73 VanDerWaalsContact O-O 3.07Å; A53-V75 HydrophobicContact CB-CG1 4.07Å; A53-M90 HydrophobicContact CB-CE 4.15Å; A53-M90 WeakPolarHBondContact O-CE 3.33Å; A53-I140 HydrophobicContact CB-CD1 3.65Å; A53-I140 HydrophobicContact CB-CG1 3.6Å; A53-R141 WeakPolarHBondContact CA-O 3.31Å; A53-F142 HydrophobicContact CB-CD1 4Å; A53-F142 HydrophobicContact CB-CE1 3.75Å; A53-F142 HydrophobicContact CB-CZ 4.32Å
54	K	98.5	Very high	95.9	Very high	50 Å²	50	67 Å²	67	22%	0.217	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.5	165.8	-178.9	175.9	-77.6	-152.9	0	109.4	F56 E69 T72 I140 R141	K54-F56 HydrophobicContact CB-CE2 4.25Å; K54-F56 HydrophobicContact CD-CE1 4.12Å; K54-F56 HydrophobicContact CD-CE2 3.92Å; K54-F56 HydrophobicContact CD-CZ 3.42Å; K54-F56 VanDerWaalsContact CD-CZ 3.42Å; K54-F56 HydrophobicContact CG-CD2 4.47Å; K54-F56 HydrophobicContact CG-CE2 3.72Å; K54-F56 HydrophobicContact CG-CZ 3.75Å; K54-E69 VanDerWaalsContact NZ-CD 3.26Å; K54-E69 IonicContact NZ-OE1 3.77Å; K54-E69 PolarHBondContact NZ-OE1 3.2Å; K54-E69 IonicContact NZ-OE2 2.69Å; K54-E69 PolarHBondContact NZ-OE2 3.26Å; K54-E69 VanDerWaalsContact NZ-OE2 3.08Å; K54-T72 HydrophobicContact CB-CG2 4.43Å; K54-T72 VanDerWaalsContact CE-OG1 3.25Å; K54-T72 WeakPolarHBondContact CE-OG1 3.46Å; K54-I140 CarbonylContact O-C 3.58Å; K54-I140 WeakPolarHBondContact O-CA 3.39Å; K54-R141 PolarHBondContact N-O 2.92Å; K54-R141 PolarHBondContact O-N 3.19Å
55	L	98.6	Very high	95.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.6	-178.2	-173.4	76.7	0	0	0	110.8	R70 G71 M90 C99 A100 W122 L138 A139 I140	L55-R70 HydrophobicContact CD2-CB 4.14Å; L55-R70 HydrophobicContact CD2-CG 4.06Å; L55-R70 HydrophobicContact CG-CB 4.25Å; L55-R70 PolarHBondContact O-N 3.28Å; L55-G71 PolarHBondContact N-O 2.85Å; L55-G71 PolarHBondContact O-N 3.35Å; L55-M90 HydrophobicContact CB-CE 4.13Å; L55-M90 HydrophobicContact CB-SD 3.66Å; L55-M90 HydrophobicContact CD2-SD 4.18Å; L55-M90 HydrophobicContact CG-SD 4.37Å; L55-C99 HydrophobicContact CD2-CB 4.46Å; L55-C99 WeakPolarHBondContact CD2-O 3.11Å; L55-A100 HydrophobicContact CD2-CB 3.68Å; L55-W122 HydrophobicContact CD1-CH2 3.81Å; L55-W122 HydrophobicContact CD1-CZ2 4.42Å; L55-L138 HydrophobicContact CD1-CB 4.3Å; L55-A139 CarbonylContact C-O 3.55Å; L55-A139 WeakPolarHBondContact CA-O 3.22Å; L55-I140 HydrophobicContact CD1-CB 4.26Å
56	F	97.8	Very high	95.7	Very high	30 Å²	30	69.1 Å²	69.1	13%	0.132	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.5	176.8	-55.5	-99	0	0	0	109.8	K54 W67 K68 E69 L138 A139 R141	K54-F56 HydrophobicContact CB-CE2 4.25Å; K54-F56 HydrophobicContact CD-CE1 4.12Å; K54-F56 HydrophobicContact CD-CE2 3.92Å; K54-F56 HydrophobicContact CD-CZ 3.42Å; K54-F56 VanDerWaalsContact CD-CZ 3.42Å; K54-F56 HydrophobicContact CG-CD2 4.47Å; K54-F56 HydrophobicContact CG-CE2 3.72Å; K54-F56 HydrophobicContact CG-CZ 3.75Å; F56-W67 HydrophobicContact CB-CE3 3.84Å; F56-K68 CarbonylContact C-O 3.6Å; F56-K68 VanDerWaalsContact CA-O 3.25Å; F56-K68 WeakPolarHBondContact CA-O 3.36Å; F56-E69 HydrophobicContact CD1-CG 4.03Å; F56-E69 HydrophobicContact CE1-CG 3.72Å; F56-L138 WeakPolarHBondContact O-CA 3.31Å; F56-A139 HydrophobicContact CB-CB 4.28Å; F56-A139 PolarHBondContact N-O 3.45Å; F56-A139 PolarHBondContact O-N 3.18Å; F56-R141 HydrophobicContact CE2-CB 4.03Å
57	R	97	Very high	95.5	Very high	51 Å²	51	68.4 Å²	68.4	19%	0.192	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.6	169.8	162.5	-172	-69.3	155.4	-23.7	108.1	K68 R70 D130 E136 L138	R57-K68 PolarHBondContact N-O 3.39Å; R57-K68 PolarHBondContact O-N 3.2Å; R57-R70 HydrophobicContact CB-CB 4.38Å; R57-R70 VanDerWaalsContact CZ-NH1 3.27Å; R57-D130 IonicContact NH2-OD2 2.8Å; R57-D130 PolarHBondContact NH2-OD2 3.36Å; R57-E136 VanDerWaalsContact CD-OE2 3.26Å; R57-E136 WeakPolarHBondContact CD-OE2 3.4Å; R57-E136 WeakPolarHBondContact CG-OE2 3.43Å; R57-E136 IonicContact CZ-OE1 2.64Å; R57-E136 IonicContact CZ-OE2 3.96Å; R57-E136 IonicContact NE-OE1 3.93Å; R57-E136 PolarHBondContact NE-OE1 3.26Å; R57-E136 IonicContact NE-OE2 3.67Å; R57-E136 PolarHBondContact NE-OE2 3.41Å; R57-E136 IonicContact NH2-OE1 2.85Å; R57-E136 PolarHBondContact NH2-OE1 3.47Å; R57-E136 IonicContact NH2-OE2 2.74Å; R57-L138 HydrophobicContact CB-CD2 4.44Å
58	F	96.7	Very high	95.5	Very high	59 Å²	59	67.7 Å²	67.7	26%	0.259	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.3	169.2	-165.6	-110.9	0	0	0	110	S60 P65 W67 L137	F58-S60 PolarHBondContact O-N 3.25Å; F58-P65 HydrophobicContact CE1-CB 3.71Å; F58-P65 HydrophobicContact CE2-CB 4.06Å; F58-P65 HydrophobicContact CZ-CB 3.29Å; F58-W67 HydrophobicContact CB-CE3 3.98Å; F58-W67 HydrophobicContact CB-CH2 3.95Å; F58-W67 HydrophobicContact CB-CZ2 4.49Å; F58-W67 HydrophobicContact CB-CZ3 3.67Å; F58-W67 AromaticContact CD2-CD2 3.9Å; F58-W67 HydrophobicContact CD2-CD2 3.9Å; F58-W67 AromaticContact CD2-CE2 3.74Å; F58-W67 HydrophobicContact CD2-CE3 4.21Å; F58-W67 HydrophobicContact CD2-CG 4.38Å; F58-W67 HydrophobicContact CD2-CH2 4.25Å; F58-W67 AromaticContact CD2-CZ2 3.94Å; F58-W67 HydrophobicContact CD2-CZ2 3.94Å; F58-W67 HydrophobicContact CD2-CZ3 4.38Å; F58-W67 HydrophobicContact CG-CH2 4.46Å; F58-L137 HydrophobicContact CB-CB 3.92Å; F58-L137 HydrophobicContact CB-CD2 3.85Å; F58-L137 HydrophobicContact CB-CG 4.04Å; F58-L137 HydrophobicContact CD1-CD2 3.87Å; F58-L137 HydrophobicContact CG-CD2 3.88Å; F58-L137 PolarHBondContact N-O 3.46Å
59	A	94.9	Very high	95.4	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	88.5	176.6	0	0	0	0	0	109.5	E61 E66 K68	A59-E61 VanDerWaalsContact C-N 3.29Å; A59-E61 VanDerWaalsContact CA-OE2 3.29Å; A59-E61 WeakPolarHBondContact CA-OE2 3.37Å; A59-E66 HydrophobicContact CB-CG 4.49Å; A59-E66 PolarHBondContact N-O 2.87Å; A59-E66 PolarHBondContact O-N 2.85Å; A59-K68 HydrophobicContact CB-CD 3.75Å; A59-K68 HydrophobicContact CB-CG 4.12Å
60	S	91.7	Very high	95.4	Very high	82 Å²	82	71.2 Å²	71.2	57%	0.573	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-12	177.1	56.9	0	0	0	0	113.4	F58 N62	F58-S60 PolarHBondContact O-N 3.25Å; S60-N62 VanDerWaalsContact C-N 3.27Å; S60-N62 PolarHBondContact O-N 2.82Å
61	E	90.1	Very high	95.4	Very high	134 Å²	134	66.6 Å²	66.6	63%	0.626	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-14.1	179	67.8	-82.4	-172.8	0	0	113.9	A59	A59-E61 VanDerWaalsContact C-N 3.29Å; A59-E61 VanDerWaalsContact CA-OE2 3.29Å; A59-E61 WeakPolarHBondContact CA-OE2 3.37Å
62	N	87.8	Confident	95.4	Very high	50 Å²	50	67 Å²	67	27%	0.267	33%	0.331	S	S	.	.	S	Bend	trans	-79.2	156	174.2	-67.6	-18.8	0	0	0	110.9	S60 L64 E66 K68	S60-N62 VanDerWaalsContact C-N 3.27Å; S60-N62 PolarHBondContact O-N 2.82Å; N62-L64 WeakPolarHBondContact CB-O 3.25Å; N62-L64 PolarHBondContact O-N 2.62Å; N62-L64 VanDerWaalsContact O-N 3.11Å; N62-E66 WeakPolarHBondContact ND2-CG 3.14Å; N62-E66 PolarHBondContact ND2-OE1 2.74Å; N62-K68 WeakPolarHBondContact ND2-CE 3.45Å; N62-K68 PolarHBondContact ND2-NZ 3.43Å; N62-K68 PolarHBondContact OD1-NZ 2.88Å; N62-K68 VanDerWaalsContact OD1-NZ 3.07Å
63	D	87.3	Confident	95.4	Very high	174 Å²	174	61.7 Å²	61.7	93%	0.93	31%	0.311	S	S	*	.	S	Bend	trans	-53.5	-33.6	173.4	-66.2	-36	0	0	0	112.8
64	L	92.4	Very high	95.4	Very high	140 Å²	140	64.4 Å²	64.4	73%	0.733	33%	0.325	S	S	*	.	S	Bend	trans	-117.3	114.2	173.1	-68.4	169.6	0	0	0	108.9	N62 E66	N62-L64 WeakPolarHBondContact CB-O 3.25Å; N62-L64 PolarHBondContact O-N 2.62Å; N62-L64 VanDerWaalsContact O-N 3.11Å; L64-E66 PolarHBondContact O-N 2.78Å
65	P	93.4	Very high	95.4	Very high	79 Å²	79	62 Å²	62	51%	0.513	32%	0.315	S	S	.	.			trans	-61.2	125.4	176.9	-24.4	34.1	0	0	0	111.4	F58	F58-P65 HydrophobicContact CE1-CB 3.71Å; F58-P65 HydrophobicContact CE2-CB 4.06Å; F58-P65 HydrophobicContact CZ-CB 3.29Å
66	E	95.3	Very high	95.4	Very high	93 Å²	93	64.2 Å²	64.2	44%	0.435	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.3	-174.6	66	176.8	179.2	0	0	112.8	A59 N62 L64 K68	A59-E66 HydrophobicContact CB-CG 4.49Å; A59-E66 PolarHBondContact N-O 2.87Å; A59-E66 PolarHBondContact O-N 2.85Å; N62-E66 WeakPolarHBondContact ND2-CG 3.14Å; N62-E66 PolarHBondContact ND2-OE1 2.74Å; L64-E66 PolarHBondContact O-N 2.78Å; E66-K68 HydrophobicContact CG-CG 4.31Å; E66-K68 WeakPolarHBondContact OE1-CE 3.29Å; E66-K68 IonicContact OE1-NZ 3.74Å
67	W	95.5	Very high	95.5	Very high	89 Å²	89	62.8 Å²	62.8	34%	0.337	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.1	171.7	-69.9	105.2	0	0	0	110.3	F56 F58 V121 L137 A139	F56-W67 HydrophobicContact CB-CE3 3.84Å; F58-W67 HydrophobicContact CB-CE3 3.98Å; F58-W67 HydrophobicContact CB-CH2 3.95Å; F58-W67 HydrophobicContact CB-CZ2 4.49Å; F58-W67 HydrophobicContact CB-CZ3 3.67Å; F58-W67 AromaticContact CD2-CD2 3.9Å; F58-W67 HydrophobicContact CD2-CD2 3.9Å; F58-W67 AromaticContact CD2-CE2 3.74Å; F58-W67 HydrophobicContact CD2-CE3 4.21Å; F58-W67 HydrophobicContact CD2-CG 4.38Å; F58-W67 HydrophobicContact CD2-CH2 4.25Å; F58-W67 AromaticContact CD2-CZ2 3.94Å; F58-W67 HydrophobicContact CD2-CZ2 3.94Å; F58-W67 HydrophobicContact CD2-CZ3 4.38Å; F58-W67 HydrophobicContact CG-CH2 4.46Å; W67-V121 HydrophobicContact CH2-CG1 3.86Å; W67-V121 HydrophobicContact CH2-CG2 4.33Å; W67-V121 HydrophobicContact CZ2-CG1 4.32Å; W67-V121 HydrophobicContact CZ2-CG2 4.31Å; W67-L137 HydrophobicContact CH2-CD2 4.33Å; W67-L137 HydrophobicContact CH2-CG 4.1Å; W67-A139 HydrophobicContact CE3-CB 3.96Å; W67-A139 HydrophobicContact CH2-CB 3.67Å; W67-A139 HydrophobicContact CZ2-CB 4.25Å; W67-A139 HydrophobicContact CZ3-CB 3.5Å; W67-A139 VanDerWaalsContact CZ3-CB 3.5Å
68	K	96.6	Very high	95.5	Very high	77 Å²	77	60.6 Å²	60.6	34%	0.335	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.8	172.2	-67.5	-178.8	-174.1	162.8	0	110.3	F56 R57 A59 N62 E66 R70	F56-K68 CarbonylContact C-O 3.6Å; F56-K68 VanDerWaalsContact CA-O 3.25Å; F56-K68 WeakPolarHBondContact CA-O 3.36Å; R57-K68 PolarHBondContact N-O 3.39Å; R57-K68 PolarHBondContact O-N 3.2Å; A59-K68 HydrophobicContact CB-CD 3.75Å; A59-K68 HydrophobicContact CB-CG 4.12Å; N62-K68 WeakPolarHBondContact ND2-CE 3.45Å; N62-K68 PolarHBondContact ND2-NZ 3.43Å; N62-K68 PolarHBondContact OD1-NZ 2.88Å; N62-K68 VanDerWaalsContact OD1-NZ 3.07Å; E66-K68 HydrophobicContact CG-CG 4.31Å; E66-K68 WeakPolarHBondContact OE1-CE 3.29Å; E66-K68 IonicContact OE1-NZ 3.74Å; K68-R70 PolarHBondContact O-N 2.89Å
69	E	97.5	Very high	95.6	Very high	120 Å²	120	60.2 Å²	60.2	56%	0.561	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	126.6	172.5	-63.2	-156.6	167.5	0	0	109.9	K54 F56	K54-E69 VanDerWaalsContact NZ-CD 3.26Å; K54-E69 IonicContact NZ-OE1 3.77Å; K54-E69 PolarHBondContact NZ-OE1 3.2Å; K54-E69 IonicContact NZ-OE2 2.69Å; K54-E69 PolarHBondContact NZ-OE2 3.26Å; K54-E69 VanDerWaalsContact NZ-OE2 3.08Å; F56-E69 HydrophobicContact CD1-CG 4.03Å; F56-E69 HydrophobicContact CE1-CG 3.72Å
70	R	97.7	Very high	95.8	Very high	15 Å²	15	61.4 Å²	61.4	6%	0.057	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-37.8	178.1	-170.3	69	-176.3	-69.3	0.8	111.6	L55 R57 K68 R92 C99 D127 D130	L55-R70 HydrophobicContact CD2-CB 4.14Å; L55-R70 HydrophobicContact CD2-CG 4.06Å; L55-R70 HydrophobicContact CG-CB 4.25Å; L55-R70 PolarHBondContact O-N 3.28Å; R57-R70 HydrophobicContact CB-CB 4.38Å; R57-R70 VanDerWaalsContact CZ-NH1 3.27Å; K68-R70 PolarHBondContact O-N 2.89Å; R70-R92 VanDerWaalsContact O-CZ 3.23Å; R70-R92 PolarHBondContact O-NE 3.42Å; R70-R92 PolarHBondContact O-NH2 2.92Å; R70-C99 HydrophobicContact CG-CB 4.24Å; R70-C99 WeakPolarHBondContact CG-O 3.46Å; R70-D127 IonicContact NH1-OD1 3.41Å; R70-D127 IonicContact NH2-OD1 4Å; R70-D130 IonicContact CZ-OD1 3.82Å; R70-D130 VanDerWaalsContact NH2-CG 3.28Å; R70-D130 IonicContact NH2-OD1 3.08Å; R70-D130 PolarHBondContact NH2-OD1 2.99Å; R70-D130 IonicContact NH2-OD2 3.79Å; R70-D130 PolarHBondContact NH2-OD2 2.78Å
71	G	98.2	Very high	96	Very high	8 Å²	8	63.9 Å²	63.9	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	156.8	178.7	0	0	0	0	0	113.9	L55	L55-G71 PolarHBondContact N-O 2.85Å; L55-G71 PolarHBondContact O-N 3.35Å
72	T	98.7	Very high	96.3	Very high	40 Å²	40	64.7 Å²	64.7	25%	0.245	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.9	169.6	-53.7	0	0	0	0	108.2	K54 R92 D93	K54-T72 HydrophobicContact CB-CG2 4.43Å; K54-T72 VanDerWaalsContact CE-OG1 3.25Å; K54-T72 WeakPolarHBondContact CE-OG1 3.46Å; T72-R92 WeakPolarHBondContact O-CA 3.48Å; T72-D93 PolarHBondContact O-N 2.97Å
73	G	98.7	Very high	96.6	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-169.4	-168.2	0	0	0	0	0	113.3	R52 A53 M90 R91	R52-G73 VanDerWaalsContact NH1-CA 3.31Å; A53-G73 PolarHBondContact N-O 3.41Å; A53-G73 PolarHBondContact O-N 2.85Å; A53-G73 VanDerWaalsContact O-N 3.07Å; A53-G73 VanDerWaalsContact O-O 3.07Å; G73-M90 WeakPolarHBondContact O-CE 3.41Å; G73-R91 VanDerWaalsContact CA-O 3.32Å; G73-R91 WeakPolarHBondContact CA-O 3.19Å
74	D	98.6	Very high	96.9	Very high	62 Å²	62	60.3 Å²	60.3	33%	0.332	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124	172	-69.5	-20.8	0	0	0	110	K50 M51 M90	K50-D74 WeakPolarHBondContact CE-OD2 3.46Å; K50-D74 HydrophobicContact CG-CB 4.26Å; K50-D74 IonicContact NZ-OD2 2.74Å; M51-D74 CarbonylContact O-C 3.51Å; M51-D74 WeakPolarHBondContact O-CA 3.17Å; D74-M90 WeakPolarHBondContact O-CG 3.31Å
75	V	98.8	Very high	97.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.4	166	62	0	0	0	0	108.9	F49 K50 M51 A53 L88 M90 I140 F142 F151	F49-V75 HydrophobicContact CE1-CG1 4.23Å; K50-V75 WeakPolarHBondContact CA-O 3.2Å; M51-V75 PolarHBondContact N-O 3.35Å; M51-V75 VanDerWaalsContact O-CG1 3.31Å; M51-V75 WeakPolarHBondContact O-CG1 3.41Å; M51-V75 PolarHBondContact O-N 2.87Å; A53-V75 HydrophobicContact CB-CG1 4.07Å; V75-L88 HydrophobicContact CG2-CD1 3.99Å; V75-L88 HydrophobicContact CG2-CD2 3.89Å; V75-L88 HydrophobicContact CG2-CG 3.77Å; V75-M90 HydrophobicContact CB-CB 4.47Å; V75-M90 HydrophobicContact CB-CG 4.23Å; V75-M90 HydrophobicContact CB-SD 4.26Å; V75-I140 HydrophobicContact CB-CD1 3.93Å; V75-I140 HydrophobicContact CG1-CD1 3.79Å; V75-I140 HydrophobicContact CG2-CD1 4.02Å; V75-F142 HydrophobicContact CG1-CE1 4.04Å; V75-F142 HydrophobicContact CG1-CZ 4.31Å; V75-F151 HydrophobicContact CG1-CD2 4.4Å; V75-F151 HydrophobicContact CG1-CE2 4.35Å; V75-F151 HydrophobicContact CG2-CE2 4.18Å
76	K	98.8	Very high	97.4	Very high	45 Å²	45	51.5 Å²	51.5	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.9	175.4	-59.3	-176.1	-175.4	179.7	0	111.1	E42 E47 F49 K50 L78 L88 L89	E42-K76 IonicContact OE2-NZ 2.68Å; E42-K76 PolarHBondContact OE2-NZ 2.85Å; E47-K76 WeakPolarHBondContact OE2-CD 3.22Å; E47-K76 VanDerWaalsContact OE2-CE 3.32Å; E47-K76 WeakPolarHBondContact OE2-CE 3.41Å; E47-K76 IonicContact OE2-NZ 3.84Å; F49-K76 VanDerWaalsContact O-CA 3.22Å; F49-K76 WeakPolarHBondContact O-CA 3.5Å; K50-K76 HydrophobicContact CB-CG 4.47Å; K50-K76 HydrophobicContact CG-CG 4.34Å; K76-L78 HydrophobicContact CB-CD2 3.99Å; K76-L78 HydrophobicContact CB-CG 4Å; K76-L78 HydrophobicContact CD-CD1 4.45Å; K76-L78 HydrophobicContact CD-CD2 4.01Å; K76-L78 HydrophobicContact CD-CG 4.48Å; K76-L88 WeakPolarHBondContact O-CA 3.5Å; K76-L89 PolarHBondContact N-O 3.33Å; K76-L89 PolarHBondContact O-N 3.39Å
77	L	98.8	Very high	97.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.5	161.5	-60.6	-176.7	0	0	0	107.7	L48 F49 R87 L88 I104 K154 F155	L48-L77 HydrophobicContact CB-CB 4.36Å; L48-L77 PolarHBondContact N-O 2.74Å; F49-L77 HydrophobicContact CB-CB 3.96Å; F49-L77 HydrophobicContact CB-CD1 4.08Å; F49-L77 HydrophobicContact CB-CG 3.99Å; F49-L77 PolarHBondContact O-N 2.99Å; L77-R87 WeakPolarHBondContact CA-O 3.22Å; L77-L88 HydrophobicContact CD2-CB 4.03Å; L77-L88 HydrophobicContact CD2-CD1 4.24Å; L77-L88 HydrophobicContact CD2-CG 4.15Å; L77-I104 HydrophobicContact CD1-CD1 4.49Å; L77-I104 HydrophobicContact CD2-CD1 3.82Å; L77-K154 HydrophobicContact CD1-CG 4.26Å; L77-F155 HydrophobicContact CD1-CB 4.4Å; L77-F155 HydrophobicContact CD2-CD2 4.3Å
78	L	98.7	Very high	97.7	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.1	-172.2	-62.2	-178.6	0	0	0	109.8	E42 E45 E46 E47 K76 I86 R87 L89	E42-L78 HydrophobicContact CB-CD1 4.38Å; E42-L78 HydrophobicContact CG-CD1 4.04Å; E45-L78 HydrophobicContact CB-CB 4.03Å; E45-L78 VanDerWaalsContact OE2-CD1 3.27Å; E45-L78 WeakPolarHBondContact OE2-CD1 3.27Å; E46-L78 CarbonylContact O-C 3.48Å; E46-L78 WeakPolarHBondContact O-CA 3.47Å; E47-L78 HydrophobicContact CB-CD2 4.04Å; E47-L78 HydrophobicContact CG-CD2 4.23Å; K76-L78 HydrophobicContact CB-CD2 3.99Å; K76-L78 HydrophobicContact CB-CG 4Å; K76-L78 HydrophobicContact CD-CD1 4.45Å; K76-L78 HydrophobicContact CD-CD2 4.01Å; K76-L78 HydrophobicContact CD-CG 4.48Å; L78-I86 CarbonylContact O-C 3.59Å; L78-I86 VanDerWaalsContact O-CA 3.25Å; L78-I86 WeakPolarHBondContact O-CA 3.49Å; L78-R87 HydrophobicContact CB-CG 4.1Å; L78-R87 PolarHBondContact N-O 3.49Å; L78-R87 PolarHBondContact O-N 3.02Å; L78-L89 HydrophobicContact CD1-CB 3.95Å; L78-L89 HydrophobicContact CD1-CD2 3.69Å; L78-L89 HydrophobicContact CD1-CG 4.49Å
79	K	98.5	Very high	97.8	Very high	51 Å²	51	41 Å²	41	22%	0.222	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.7	176.8	179.8	176.5	170.2	-179.1	0	110.4	E45 E46 L48 K81 T85 I86 E161	E45-K79 CarbonylContact C-O 3.56Å; E45-K79 WeakPolarHBondContact CA-O 3.26Å; E46-K79 PolarHBondContact N-O 3.4Å; E46-K79 PolarHBondContact O-N 3.22Å; L48-K79 HydrophobicContact CD1-CB 3.79Å; L48-K79 HydrophobicContact CD1-CD 4.34Å; L48-K79 HydrophobicContact CD2-CB 4.28Å; L48-K79 HydrophobicContact CG-CB 3.98Å; K79-K81 PolarHBondContact O-N 3.05Å; K79-T85 WeakPolarHBondContact CA-O 3.4Å; K79-I86 HydrophobicContact CB-CG1 3.91Å; K79-I86 HydrophobicContact CD-CD1 4.47Å; K79-I86 HydrophobicContact CD-CG1 4.34Å; K79-I86 HydrophobicContact CG-CG1 3.9Å; K79-E161 VanDerWaalsContact CE-OE1 3.22Å; K79-E161 WeakPolarHBondContact CE-OE1 3.33Å; K79-E161 IonicContact NZ-OE1 2.68Å; K79-E161 PolarHBondContact NZ-OE1 2.89Å
80	H	98.2	Very high	97.8	Very high	25 Å²	25	35.3 Å²	35.3	12%	0.116	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.9	175	-167.3	-56.5	0	0	0	110.8	E45 E82 K83 G84 T85	E45-H80 HydrophobicContact CG-CB 4.43Å; H80-E82 PolarHBondContact ND1-N 3.08Å; H80-E82 PolarHBondContact O-N 3.29Å; H80-K83 HydrophobicContact CB-CB 4.12Å; H80-K83 PolarHBondContact ND1-N 3.1Å; H80-K83 VanDerWaalsContact ND1-N 3.2Å; H80-G84 VanDerWaalsContact O-CA 3.29Å; H80-G84 WeakPolarHBondContact O-CA 3.35Å; H80-G84 PolarHBondContact O-N 3.23Å; H80-T85 WeakPolarHBondContact CB-OG1 3.48Å; H80-T85 PolarHBondContact N-O 2.68Å
81	K	96.6	Very high	97.9	Very high	134 Å²	134	38 Å²	38	58%	0.583	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-47	-173.2	-68.9	164.8	-173.5	164.8	0	112.7	E43 D44 K79	E43-K81 PolarHBondContact O-NZ 3.31Å; D44-K81 WeakPolarHBondContact O-CB 3.49Å; D44-K81 WeakPolarHBondContact O-CD 3.37Å; D44-K81 VanDerWaalsContact O-CG 3.23Å; D44-K81 WeakPolarHBondContact O-CG 3.37Å; D44-K81 PolarHBondContact O-N 2.88Å; K79-K81 PolarHBondContact O-N 3.05Å
82	E	95.2	Very high	97.9	Very high	152 Å²	152	40.5 Å²	40.5	71%	0.71	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-45.3	-179.7	-55.4	-173.5	157.9	0	0	113.8	H80	H80-E82 PolarHBondContact ND1-N 3.08Å; H80-E82 PolarHBondContact O-N 3.29Å
83	K	94.1	Very high	97.8	Very high	119 Å²	119	41.8 Å²	41.8	52%	0.517	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.8	-173.9	-63.8	176.5	-172.4	164.3	0	113.1	H80 T85 R165	H80-K83 HydrophobicContact CB-CB 4.12Å; H80-K83 PolarHBondContact ND1-N 3.1Å; H80-K83 VanDerWaalsContact ND1-N 3.2Å; K83-T85 HydrophobicContact CB-CG2 4.25Å; K83-T85 PolarHBondContact O-N 2.98Å; K83-R165 PolarHBondContact O-NH1 3.45Å; K83-R165 PolarHBondContact O-NH2 3.06Å
84	G	94.6	Very high	97.7	Very high	12 Å²	12	51.2 Å²	51.2	12%	0.124	23%	0.233	C	C	.	.			trans	60.8	9.2	-176.4	0	0	0	0	0	115	H80 I162	H80-G84 VanDerWaalsContact O-CA 3.29Å; H80-G84 WeakPolarHBondContact O-CA 3.35Å; H80-G84 PolarHBondContact O-N 3.23Å; G84-I162 WeakPolarHBondContact O-CD1 3.13Å
85	T	97.1	Very high	97.6	Very high	33 Å²	33	52.2 Å²	52.2	20%	0.202	24%	0.242	C	C	.	.			trans	-75.1	140.2	175	49.6	0	0	0	0	109.6	K79 H80 K83	K79-T85 WeakPolarHBondContact CA-O 3.4Å; H80-T85 WeakPolarHBondContact CB-OG1 3.48Å; H80-T85 PolarHBondContact N-O 2.68Å; K83-T85 HydrophobicContact CB-CG2 4.25Å; K83-T85 PolarHBondContact O-N 2.98Å
86	I	98.5	Very high	97.5	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.7	178.6	-58.6	171.2	0	0	0	109.2	L48 L78 K79 Y103 I104 C158 I162	L48-I86 HydrophobicContact CD1-CD1 3.99Å; L48-I86 HydrophobicContact CD1-CG1 4.37Å; L48-I86 HydrophobicContact CD1-CG2 4.44Å; L78-I86 CarbonylContact O-C 3.59Å; L78-I86 VanDerWaalsContact O-CA 3.25Å; L78-I86 WeakPolarHBondContact O-CA 3.49Å; K79-I86 HydrophobicContact CB-CG1 3.91Å; K79-I86 HydrophobicContact CD-CD1 4.47Å; K79-I86 HydrophobicContact CD-CG1 4.34Å; K79-I86 HydrophobicContact CG-CG1 3.9Å; I86-Y103 WeakPolarHBondContact O-CA 3.32Å; I86-I104 HydrophobicContact CG2-CD1 4.02Å; I86-I104 PolarHBondContact O-N 3.46Å; I86-C158 HydrophobicContact CD1-CB 3.79Å; I86-C158 HydrophobicContact CG2-CB 4.04Å; I86-I162 HydrophobicContact CB-CD1 4.11Å; I86-I162 HydrophobicContact CB-CG1 4.26Å; I86-I162 HydrophobicContact CD1-CD1 4.03Å; I86-I162 HydrophobicContact CD1-CG1 4.15Å; I86-I162 HydrophobicContact CG1-CD1 3.87Å; I86-I162 HydrophobicContact CG1-CG1 4.31Å
87	R	98.4	Very high	97.4	Very high	34 Å²	34	62.3 Å²	62.3	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.7	175.5	67	176.4	178.4	172.4	-2.9	112.4	L41 E45 L77 L78 H102 Y103	L41-R87 PolarHBondContact O-NH2 2.96Å; E45-R87 VanDerWaalsContact CD-NE 3.28Å; E45-R87 WeakPolarHBondContact OE1-CD 3.09Å; E45-R87 IonicContact OE1-CZ 3.19Å; E45-R87 IonicContact OE1-NE 2.77Å; E45-R87 PolarHBondContact OE1-NE 3.08Å; E45-R87 IonicContact OE1-NH2 3.82Å; E45-R87 IonicContact OE2-CZ 3.48Å; E45-R87 IonicContact OE2-NE 3.08Å; E45-R87 PolarHBondContact OE2-NE 3.4Å; E45-R87 IonicContact OE2-NH2 2.69Å; E45-R87 PolarHBondContact OE2-NH2 3.46Å; L77-R87 WeakPolarHBondContact CA-O 3.22Å; L78-R87 HydrophobicContact CB-CG 4.1Å; L78-R87 PolarHBondContact N-O 3.49Å; L78-R87 PolarHBondContact O-N 3.02Å; R87-H102 CarbonylContact C-O 3.6Å; R87-H102 VanDerWaalsContact CA-O 3.29Å; R87-H102 WeakPolarHBondContact CA-O 3.27Å; R87-H102 WeakPolarHBondContact CB-O 3.03Å; R87-Y103 HydrophobicContact CB-CD1 3.84Å; R87-Y103 HydrophobicContact CB-CE1 4.17Å
88	L	98.7	Very high	97.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.7	165.2	-173.5	154.5	0	0	0	108.2	V75 K76 L77 A100 N101 H102 W122 F151 F155	V75-L88 HydrophobicContact CG2-CD1 3.99Å; V75-L88 HydrophobicContact CG2-CD2 3.89Å; V75-L88 HydrophobicContact CG2-CG 3.77Å; K76-L88 WeakPolarHBondContact O-CA 3.5Å; L77-L88 HydrophobicContact CD2-CB 4.03Å; L77-L88 HydrophobicContact CD2-CD1 4.24Å; L77-L88 HydrophobicContact CD2-CG 4.15Å; L88-A100 HydrophobicContact CD2-CB 3.61Å; L88-N101 VanDerWaalsContact O-CA 3.3Å; L88-N101 WeakPolarHBondContact O-CA 3.42Å; L88-H102 PolarHBondContact N-O 3.31Å; L88-H102 PolarHBondContact O-N 3.43Å; L88-H102 VanDerWaalsContact O-N 3.14Å; L88-W122 HydrophobicContact CD1-CH2 4.35Å; L88-W122 HydrophobicContact CD1-CZ2 3.83Å; L88-F151 HydrophobicContact CD1-CE2 4.34Å; L88-F151 HydrophobicContact CD1-CZ 4.01Å; L88-F155 HydrophobicContact CD1-CE2 4.26Å
89	L	98.8	Very high	97.4	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.6	175.2	-174.3	68	0	0	0	109.6	E42 K76 L78 I98 A100 N101	E42-L89 HydrophobicContact CG-CD2 3.69Å; E42-L89 WeakPolarHBondContact OE1-CD2 3.49Å; K76-L89 PolarHBondContact N-O 3.33Å; K76-L89 PolarHBondContact O-N 3.39Å; L78-L89 HydrophobicContact CD1-CB 3.95Å; L78-L89 HydrophobicContact CD1-CD2 3.69Å; L78-L89 HydrophobicContact CD1-CG 4.49Å; L89-I98 HydrophobicContact CD1-CD1 4.16Å; L89-I98 HydrophobicContact CD1-CG1 4.32Å; L89-I98 HydrophobicContact CD1-CG2 3.97Å; L89-A100 WeakPolarHBondContact CA-O 3.25Å; L89-N101 HydrophobicContact CD1-CB 3.85Å
90	M	98.8	Very high	97.4	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.2	176.5	-168.5	-179.6	177.3	0	0	110.1	A53 L55 G73 D74 V75 I98 C99 A100	A53-M90 HydrophobicContact CB-CE 4.15Å; A53-M90 WeakPolarHBondContact O-CE 3.33Å; L55-M90 HydrophobicContact CB-CE 4.13Å; L55-M90 HydrophobicContact CB-SD 3.66Å; L55-M90 HydrophobicContact CD2-SD 4.18Å; L55-M90 HydrophobicContact CG-SD 4.37Å; G73-M90 WeakPolarHBondContact O-CE 3.41Å; D74-M90 WeakPolarHBondContact O-CG 3.31Å; V75-M90 HydrophobicContact CB-CB 4.47Å; V75-M90 HydrophobicContact CB-CG 4.23Å; V75-M90 HydrophobicContact CB-SD 4.26Å; M90-I98 WeakPolarHBondContact O-CA 3.46Å; M90-C99 VanDerWaalsContact CG-SG 3.52Å; M90-C99 PolarHBondContact O-N 3.03Å; M90-C99 PolarHBondContact O-SG 3.41Å; M90-C99 VanDerWaalsContact O-SG 3.41Å; M90-A100 HydrophobicContact CB-CB 4.13Å; M90-A100 PolarHBondContact N-O 3.49Å; M90-A100 PolarHBondContact O-N 3.09Å
91	R	98.5	Very high	97.4	Very high	73 Å²	73	61.6 Å²	61.6	28%	0.275	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.4	178.1	-66.6	177.3	-177.4	-86.2	2.4	110.1	T40 E42 G73 L96 K97 I98	T40-R91 PolarHBondContact O-NH2 3.33Å; E42-R91 IonicContact OE1-CZ 2.83Å; E42-R91 VanDerWaalsContact OE1-CZ 3.29Å; E42-R91 IonicContact OE1-NE 2.64Å; E42-R91 PolarHBondContact OE1-NE 3.3Å; E42-R91 IonicContact OE1-NH2 3.61Å; E42-R91 PolarHBondContact OE1-NH2 3.39Å; G73-R91 VanDerWaalsContact CA-O 3.32Å; G73-R91 WeakPolarHBondContact CA-O 3.19Å; R91-L96 PolarHBondContact NH1-O 3.21Å; R91-K97 CarbonylContact C-O 3.51Å; R91-K97 WeakPolarHBondContact CA-O 3.29Å; R91-I98 HydrophobicContact CG-CG1 4.23Å
92	R	98.4	Very high	97.5	Very high	60 Å²	60	55.5 Å²	55.5	23%	0.226	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.9	174.9	-62.8	-177.8	-170.8	82.4	-1	110.8	R70 T72 L96 K97 I98 C99	R70-R92 VanDerWaalsContact O-CZ 3.23Å; R70-R92 PolarHBondContact O-NE 3.42Å; R70-R92 PolarHBondContact O-NH2 2.92Å; T72-R92 WeakPolarHBondContact O-CA 3.48Å; R92-L96 VanDerWaalsContact O-CA 3.26Å; R92-L96 WeakPolarHBondContact O-CA 3.41Å; R92-L96 PolarHBondContact O-N 3.48Å; R92-K97 PolarHBondContact N-O 3.12Å; R92-I98 PolarHBondContact NH1-O 3Å; R92-C99 HydrophobicContact CG-CB 3.97Å
93	D	97.4	Very high	97.7	Very high	66 Å²	66	54.3 Å²	54.3	35%	0.353	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	152.8	169.4	-68.3	-14.8	0	0	0	112.5	R52 T72 T95	R52-D93 IonicContact CZ-OD1 4Å; R52-D93 IonicContact CZ-OD2 2.96Å; R52-D93 IonicContact NH1-OD1 3.5Å; R52-D93 PolarHBondContact NH1-OD1 3.31Å; R52-D93 IonicContact NH1-OD2 2.83Å; R52-D93 PolarHBondContact NH1-OD2 2.91Å; R52-D93 IonicContact NH2-OD1 3.7Å; R52-D93 IonicContact NH2-OD2 3.87Å; R52-D93 PolarHBondContact NH2-OD2 2.88Å; T72-D93 PolarHBondContact O-N 2.97Å; D93-T95 PolarHBondContact O-N 3.22Å
94	K	96.5	Very high	97.9	Very high	198 Å²	198	48.8 Å²	48.8	86%	0.861	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	-52.5	174.4	-47.4	-56.5	-178.2	176.6	0	113.6
95	T	96.5	Very high	97.9	Very high	84 Å²	84	50.9 Å²	50.9	52%	0.515	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-21	179.8	65.2	0	0	0	0	113.5	D93 K97	D93-T95 PolarHBondContact O-N 3.22Å; T95-K97 PolarHBondContact O-N 2.96Å
96	L	96.1	Very high	97.9	Very high	116 Å²	116	50 Å²	50	61%	0.607	24%	0.235	S	C	*	.			trans	56.4	9.6	-177	-53.7	179	0	0	0	115.1	R91 R92	R91-L96 PolarHBondContact NH1-O 3.21Å; R92-L96 VanDerWaalsContact O-CA 3.26Å; R92-L96 WeakPolarHBondContact O-CA 3.41Å; R92-L96 PolarHBondContact O-N 3.48Å
97	K	97.9	Very high	97.7	Very high	141 Å²	141	58.2 Å²	58.2	61%	0.613	28%	0.275	S	S	*	.			trans	-66.2	136.9	176.7	-71.3	-172.4	177	-174.9	0	110.4	R91 R92 T95	R91-K97 CarbonylContact C-O 3.51Å; R91-K97 WeakPolarHBondContact CA-O 3.29Å; R92-K97 PolarHBondContact N-O 3.12Å; T95-K97 PolarHBondContact O-N 2.96Å
98	I	98.3	Very high	97.6	Very high	43 Å²	43	57 Å²	57	22%	0.221	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.4	175.9	-60.3	175.1	0	0	0	109.5	L89 M90 R91 R92 A100 N101 A129	L89-I98 HydrophobicContact CD1-CD1 4.16Å; L89-I98 HydrophobicContact CD1-CG1 4.32Å; L89-I98 HydrophobicContact CD1-CG2 3.97Å; M90-I98 WeakPolarHBondContact O-CA 3.46Å; R91-I98 HydrophobicContact CG-CG1 4.23Å; R92-I98 PolarHBondContact NH1-O 3Å; I98-A100 WeakPolarHBondContact CG2-O 3.4Å; I98-N101 HydrophobicContact CG2-CB 3.73Å; I98-A129 HydrophobicContact CG2-CB 3.84Å
99	C	98.3	Very high	97.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-13.4	175.7	62.3	0	0	0	0	114.1	L55 R70 M90 R92	L55-C99 HydrophobicContact CD2-CB 4.46Å; L55-C99 WeakPolarHBondContact CD2-O 3.11Å; R70-C99 HydrophobicContact CG-CB 4.24Å; R70-C99 WeakPolarHBondContact CG-O 3.46Å; M90-C99 VanDerWaalsContact CG-SG 3.52Å; M90-C99 PolarHBondContact O-N 3.03Å; M90-C99 PolarHBondContact O-SG 3.41Å; M90-C99 VanDerWaalsContact O-SG 3.41Å; R92-C99 HydrophobicContact CG-CB 3.97Å
100	A	98.7	Very high	97.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	138.6	163.4	0	0	0	0	0	109	L55 L88 L89 M90 I98 D127	L55-A100 HydrophobicContact CD2-CB 3.68Å; L88-A100 HydrophobicContact CD2-CB 3.61Å; L89-A100 WeakPolarHBondContact CA-O 3.25Å; M90-A100 HydrophobicContact CB-CB 4.13Å; M90-A100 PolarHBondContact N-O 3.49Å; M90-A100 PolarHBondContact O-N 3.09Å; I98-A100 WeakPolarHBondContact CG2-O 3.4Å; A100-D127 WeakPolarHBondContact CA-OD2 3.22Å
101	N	98.6	Very high	97.3	Very high	23 Å²	23	68 Å²	68	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	96.8	174.5	-179.4	14.2	0	0	0	109.2	L88 L89 I98 D127 F128	L88-N101 VanDerWaalsContact O-CA 3.3Å; L88-N101 WeakPolarHBondContact O-CA 3.42Å; L89-N101 HydrophobicContact CD1-CB 3.85Å; I98-N101 HydrophobicContact CG2-CB 3.73Å; N101-D127 PolarHBondContact N-OD2 2.69Å; N101-F128 PolarHBondContact O-N 2.88Å
102	H	98.7	Very high	97.2	Very high	5 Å²	5	69 Å²	69	2%	0.023	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.6	178.1	49.8	-90.4	0	0	0	111.4	R87 L88 W122 T124 D127 L138	R87-H102 CarbonylContact C-O 3.6Å; R87-H102 VanDerWaalsContact CA-O 3.29Å; R87-H102 WeakPolarHBondContact CA-O 3.27Å; R87-H102 WeakPolarHBondContact CB-O 3.03Å; L88-H102 PolarHBondContact N-O 3.31Å; L88-H102 PolarHBondContact O-N 3.43Å; L88-H102 VanDerWaalsContact O-N 3.14Å; H102-W122 AromaticContact CE1-NE1 3.66Å; H102-W122 AromaticContact NE2-CE2 3.84Å; H102-W122 AromaticContact NE2-CZ2 3.99Å; H102-W122 AromaticContact NE2-NE1 3.08Å; H102-W122 PolarHBondContact NE2-NE1 3.33Å; H102-T124 WeakPolarHBondContact CB-OG1 3.44Å; H102-D127 IonicContact CE1-OD2 3.94Å; H102-D127 IonicContact CG-OD2 3.2Å; H102-D127 IonicContact ND1-OD2 2.88Å; H102-D127 PolarHBondContact ND1-OD2 2.87Å; H102-L138 VanDerWaalsContact CE1-CD1 3.49Å; H102-L138 WeakPolarHBondContact CE1-CD1 3.42Å
103	Y	98.3	Very high	96.7	Very high	127 Å²	127	68.6 Å²	68.6	50%	0.498	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	144.9	171.8	-66.3	-69.1	0	0	0	111.5	I86 R87	I86-Y103 WeakPolarHBondContact O-CA 3.32Å; R87-Y103 HydrophobicContact CB-CD1 3.84Å; R87-Y103 HydrophobicContact CB-CE1 4.17Å
104	I	98.1	Very high	96.1	Very high	4 Å²	4	70 Å²	70	2%	0.021	36%	0.36	C	S	.	.			trans	-75.9	127.1	165.2	-64.7	-176.5	0	0	0	107.6	L77 I86 F155 C158 R159	L77-I104 HydrophobicContact CD1-CD1 4.49Å; L77-I104 HydrophobicContact CD2-CD1 3.82Å; I86-I104 HydrophobicContact CG2-CD1 4.02Å; I86-I104 PolarHBondContact O-N 3.46Å; I104-F155 HydrophobicContact CD1-CD2 3.79Å; I104-F155 HydrophobicContact CD1-CE2 3.61Å; I104-F155 HydrophobicContact CD1-CG 4.37Å; I104-F155 HydrophobicContact CD1-CZ 4.06Å; I104-F155 HydrophobicContact CG1-CE2 3.86Å; I104-F155 HydrophobicContact CG1-CZ 4.04Å; I104-F155 HydrophobicContact CG2-CE1 4.37Å; I104-F155 HydrophobicContact CG2-CZ 4.23Å; I104-C158 HydrophobicContact CD1-CB 3.92Å; I104-R159 HydrophobicContact CG2-CB 3.94Å; I104-R159 HydrophobicContact CG2-CG 4.43Å
105	T	96.6	Very high	95.6	Very high	55 Å²	55	65 Å²	65	34%	0.337	37%	0.365	S	S	.	.			trans	-110.7	154.6	176.9	64.3	0	0	0	0	110.7	M107 M108	T105-M107 PolarHBondContact O-N 2.66Å; T105-M107 VanDerWaalsContact O-N 3.14Å; T105-M108 VanDerWaalsContact O-CB 3.31Å; T105-M108 WeakPolarHBondContact O-CB 3.2Å; T105-M108 PolarHBondContact O-N 3Å
106	P	95.2	Very high	95.4	Very high	15 Å²	15	62.4 Å²	62.4	10%	0.097	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.7	179.6	-30.3	40.7	0	0	0	114.6	M108 R159 I162 E163 E166	P106-M108 VanDerWaalsContact C-N 3.33Å; P106-R159 PolarHBondContact O-NE 2.89Å; P106-R159 PolarHBondContact O-NH2 2.79Å; P106-I162 HydrophobicContact CG-CG2 3.92Å; P106-E163 HydrophobicContact CB-CB 3.93Å; P106-E163 HydrophobicContact CB-CG 4.09Å; P106-E163 HydrophobicContact CG-CB 4.16Å; P106-E166 WeakPolarHBondContact CG-OE2 3.47Å
107	M	94.2	Very high	95.3	Very high	173 Å²	173	61.7 Å²	61.7	85%	0.852	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.6	-179.9	-56.9	-59.9	-108.6	0	0	113	T105	T105-M107 PolarHBondContact O-N 2.66Å; T105-M107 VanDerWaalsContact O-N 3.14Å
108	M	97	Very high	95.2	Very high	9 Å²	9	59.9 Å²	59.9	4%	0.044	34%	0.336	C	S	.	.			trans	-75.7	133.5	-178.1	-160	171.2	-78.7	0	0	110.9	T105 P106 W122 N123 F155 R159	T105-M108 VanDerWaalsContact O-CB 3.31Å; T105-M108 WeakPolarHBondContact O-CB 3.2Å; T105-M108 PolarHBondContact O-N 3Å; P106-M108 VanDerWaalsContact C-N 3.33Å; M108-W122 HydrophobicContact CG-CB 4.3Å; M108-W122 HydrophobicContact CG-CG 4.37Å; M108-W122 HydrophobicContact SD-CG 4.36Å; M108-N123 WeakPolarHBondContact CE-O 3.37Å; M108-F155 HydrophobicContact CG-CE1 4.34Å; M108-F155 HydrophobicContact CG-CZ 4Å; M108-F155 HydrophobicContact SD-CE1 4.46Å; M108-F155 HydrophobicContact SD-CE2 4.44Å; M108-F155 HydrophobicContact SD-CZ 3.59Å; M108-F155 VanDerWaalsContact SD-CZ 3.59Å; M108-R159 WeakPolarHBondContact O-CD 3.2Å; M108-R159 PolarHBondContact O-NE 3.34Å; M108-R159 VanDerWaalsContact O-NE 3.09Å
109	E	95.8	Very high	95.2	Very high	113 Å²	113	58.1 Å²	58.1	53%	0.528	33%	0.328	S	S	.	.			trans	-133.4	133.1	-178.1	-175.1	-171.9	-167.9	0	0	110.4	K111 W122	E109-K111 HydrophobicContact CG-CG 4.41Å; E109-K111 WeakPolarHBondContact OE2-CE 3.18Å; E109-K111 IonicContact OE2-NZ 3.53Å; E109-W122 WeakPolarHBondContact O-CB 2.83Å
110	L	97.4	Very high	95.2	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	33%	0.33	C	S	.	.			trans	-85.6	112	172.6	-65.8	-178.2	0	0	0	110.3	W120 W122 F151 K152 F155	L110-W120 HydrophobicContact CB-CB 4.19Å; L110-W120 HydrophobicContact CB-CD2 4.45Å; L110-W120 HydrophobicContact CB-CE3 4.43Å; L110-W120 HydrophobicContact CB-CG 4.35Å; L110-W120 HydrophobicContact CD1-CG 4.36Å; L110-W120 HydrophobicContact CD2-CB 4.08Å; L110-W120 HydrophobicContact CG-CB 4.5Å; L110-W122 HydrophobicContact CD2-CB 4.05Å; L110-W122 HydrophobicContact CD2-CD2 4Å; L110-W122 HydrophobicContact CD2-CE3 3.73Å; L110-W122 HydrophobicContact CD2-CG 4.16Å; L110-F151 HydrophobicContact CD1-CD1 4.01Å; L110-F151 HydrophobicContact CD1-CE1 3.71Å; L110-F151 HydrophobicContact CD2-CE1 4.16Å; L110-K152 HydrophobicContact CD1-CB 4.08Å; L110-K152 HydrophobicContact CD1-CG 4.12Å; L110-F155 HydrophobicContact CD1-CB 3.73Å; L110-F155 HydrophobicContact CD1-CD1 3.73Å; L110-F155 HydrophobicContact CD1-CD2 4.36Å; L110-F155 HydrophobicContact CD1-CE1 4.47Å; L110-F155 HydrophobicContact CD1-CG 3.68Å; L110-F155 HydrophobicContact CD2-CD1 4.3Å; L110-F155 HydrophobicContact CD2-CE1 4.25Å; L110-F155 HydrophobicContact CD2-CG 4.46Å; L110-F155 HydrophobicContact CD2-CZ 4.35Å; L110-F155 HydrophobicContact CG-CD1 3.74Å; L110-F155 HydrophobicContact CG-CE1 4.02Å; L110-F155 HydrophobicContact CG-CG 4.12Å
111	K	96.8	Very high	95.2	Very high	117 Å²	117	59.6 Å²	59.6	51%	0.509	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.6	176.5	-66.3	-177.6	179.3	178.2	0	111.1	E109 W120 V121	E109-K111 HydrophobicContact CG-CG 4.41Å; E109-K111 WeakPolarHBondContact OE2-CE 3.18Å; E109-K111 IonicContact OE2-NZ 3.53Å; K111-W120 CarbonylContact O-C 3.56Å; K111-W120 WeakPolarHBondContact O-CA 3.32Å; K111-V121 PolarHBondContact N-O 2.85Å; K111-V121 PolarHBondContact O-N 2.83Å
112	P	96	Very high	95.1	Very high	96 Å²	96	58.7 Å²	58.7	62%	0.623	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.2	175.4	26.5	-32.8	0	0	0	110.4	W120	P112-W120 HydrophobicContact CB-CE3 4.35Å; P112-W120 HydrophobicContact CB-CZ3 3.92Å
113	N	89.5	Confident	95.1	Very high	50 Å²	50	62.1 Å²	62.1	27%	0.267	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-81	134.6	172.8	-167.6	28	0	0	0	110.4	G115 S116 A119 V121	N113-G115 PolarHBondContact O-N 3.27Å; N113-S116 PolarHBondContact O-N 2.83Å; N113-S116 VanDerWaalsContact O-N 3.1Å; N113-A119 HydrophobicContact CB-CB 4.05Å; N113-A119 PolarHBondContact N-O 2.84Å; N113-V121 HydrophobicContact CB-CG2 3.81Å
114	A	84	Confident	95.1	Very high	97 Å²	97	56.3 Å²	56.3	80%	0.802	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	123.1	179	0	0	0	0	0	110.5
115	G	85.2	Confident	95	Very high	93 Å²	93	63 Å²	63	96%	0.959	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	8.7	179.4	0	0	0	0	0	116.1	N113	N113-G115 PolarHBondContact O-N 3.27Å
116	S	92.2	Very high	95	Very high	29 Å²	29	63 Å²	63	20%	0.203	36%	0.362	C	S	.	.			trans	-137.9	121.1	175.2	173.6	0	0	0	0	112.6	N113 R118 A119	N113-S116 PolarHBondContact O-N 2.83Å; N113-S116 VanDerWaalsContact O-N 3.1Å; S116-R118 VanDerWaalsContact C-N 3.27Å; S116-R118 PolarHBondContact O-N 2.64Å; S116-R118 WeakPolarHBondContact OG-CG 3.48Å; S116-R118 PolarHBondContact OG-N 2.9Å; S116-A119 VanDerWaalsContact OG-CB 3.25Å; S116-A119 WeakPolarHBondContact OG-CB 3.41Å; S116-A119 PolarHBondContact OG-N 2.96Å
117	D	94	Very high	95.2	Very high	100 Å²	100	62.3 Å²	62.3	54%	0.535	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.7	173	64.7	-13.9	0	0	0	114	A145	D117-A145 HydrophobicContact CB-CB 4.31Å
118	R	96.9	Very high	95.4	Very high	104 Å²	104	58.4 Å²	58.4	39%	0.392	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	17.1	-173.8	66	-177.6	76.1	178.8	8.6	113.8	S116 R141 F142 L143 A148	S116-R118 VanDerWaalsContact C-N 3.27Å; S116-R118 PolarHBondContact O-N 2.64Å; S116-R118 WeakPolarHBondContact OG-CG 3.48Å; S116-R118 PolarHBondContact OG-N 2.9Å; R118-R141 HydrophobicContact CG-CG 3.93Å; R118-R141 WeakPolarHBondContact O-CA 3.3Å; R118-F142 VanDerWaalsContact CD-O 3.31Å; R118-F142 WeakPolarHBondContact CD-O 3.41Å; R118-F142 PolarHBondContact O-N 3.25Å; R118-L143 PolarHBondContact NH1-O 2.83Å; R118-A148 HydrophobicContact CB-CB 4.43Å
119	A	97.8	Very high	95.4	Very high	5 Å²	5	58.5 Å²	58.5	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.7	-177.1	0	0	0	0	0	113.3	N113 S116 I140 R141	N113-A119 HydrophobicContact CB-CB 4.05Å; N113-A119 PolarHBondContact N-O 2.84Å; S116-A119 VanDerWaalsContact OG-CB 3.25Å; S116-A119 WeakPolarHBondContact OG-CB 3.41Å; S116-A119 PolarHBondContact OG-N 2.96Å; A119-I140 CarbonylContact C-O 3.55Å; A119-I140 WeakPolarHBondContact CA-O 3.45Å; A119-I140 WeakPolarHBondContact CB-O 3.43Å; A119-R141 HydrophobicContact CB-CB 4.21Å; A119-R141 HydrophobicContact CB-CG 4.25Å
120	W	98.4	Very high	95.4	Very high	13 Å²	13	56.3 Å²	56.3	5%	0.049	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.6	176.6	-55.9	112.8	0	0	0	110.8	L110 K111 P112 A139 I140 A148 Q149 F151 K152	L110-W120 HydrophobicContact CB-CB 4.19Å; L110-W120 HydrophobicContact CB-CD2 4.45Å; L110-W120 HydrophobicContact CB-CE3 4.43Å; L110-W120 HydrophobicContact CB-CG 4.35Å; L110-W120 HydrophobicContact CD1-CG 4.36Å; L110-W120 HydrophobicContact CD2-CB 4.08Å; L110-W120 HydrophobicContact CG-CB 4.5Å; K111-W120 CarbonylContact O-C 3.56Å; K111-W120 WeakPolarHBondContact O-CA 3.32Å; P112-W120 HydrophobicContact CB-CE3 4.35Å; P112-W120 HydrophobicContact CB-CZ3 3.92Å; W120-A139 CarbonylContact O-C 3.53Å; W120-A139 WeakPolarHBondContact O-CA 3.26Å; W120-I140 HydrophobicContact CB-CG2 4.25Å; W120-I140 PolarHBondContact N-O 2.91Å; W120-I140 PolarHBondContact O-N 3.45Å; W120-A148 PolarHBondContact NE1-O 2.76Å; W120-Q149 VanDerWaalsContact CZ2-NE2 3.3Å; W120-F151 AromaticContact CD1-CD1 3.85Å; W120-K152 HydrophobicContact CD2-CD 4.31Å; W120-K152 HydrophobicContact CE3-CD 4.25Å; W120-K152 HydrophobicContact CH2-CD 3.37Å; W120-K152 HydrophobicContact CZ2-CB 3.84Å; W120-K152 HydrophobicContact CZ2-CD 3.37Å; W120-K152 HydrophobicContact CZ2-CG 4.2Å; W120-K152 HydrophobicContact CZ3-CD 3.83Å
121	V	98	Very high	95.3	Very high	19 Å²	19	64 Å²	64	12%	0.115	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.7	178.6	-176.6	0	0	0	0	109.2	W67 K111 N113 L137 L138 A139	W67-V121 HydrophobicContact CH2-CG1 3.86Å; W67-V121 HydrophobicContact CH2-CG2 4.33Å; W67-V121 HydrophobicContact CZ2-CG1 4.32Å; W67-V121 HydrophobicContact CZ2-CG2 4.31Å; K111-V121 PolarHBondContact N-O 2.85Å; K111-V121 PolarHBondContact O-N 2.83Å; N113-V121 HydrophobicContact CB-CG2 3.81Å; V121-L137 HydrophobicContact CG1-CD1 3.69Å; V121-L137 HydrophobicContact CG1-CG 4.2Å; V121-L138 CarbonylContact C-O 3.6Å; V121-L138 VanDerWaalsContact CA-O 3.26Å; V121-L138 WeakPolarHBondContact CA-O 2.96Å; V121-L138 WeakPolarHBondContact CG1-O 3.49Å; V121-A139 HydrophobicContact CG2-CB 3.93Å
122	W	98.3	Very high	95.3	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.1	173.3	71.5	101.6	0	0	0	111.7	L55 L88 H102 M108 E109 L110 L138 I140	L55-W122 HydrophobicContact CD1-CH2 3.81Å; L55-W122 HydrophobicContact CD1-CZ2 4.42Å; L88-W122 HydrophobicContact CD1-CH2 4.35Å; L88-W122 HydrophobicContact CD1-CZ2 3.83Å; H102-W122 AromaticContact CE1-NE1 3.66Å; H102-W122 AromaticContact NE2-CE2 3.84Å; H102-W122 AromaticContact NE2-CZ2 3.99Å; H102-W122 AromaticContact NE2-NE1 3.08Å; H102-W122 PolarHBondContact NE2-NE1 3.33Å; M108-W122 HydrophobicContact CG-CB 4.3Å; M108-W122 HydrophobicContact CG-CG 4.37Å; M108-W122 HydrophobicContact SD-CG 4.36Å; E109-W122 WeakPolarHBondContact O-CB 2.83Å; L110-W122 HydrophobicContact CD2-CB 4.05Å; L110-W122 HydrophobicContact CD2-CD2 4Å; L110-W122 HydrophobicContact CD2-CE3 3.73Å; L110-W122 HydrophobicContact CD2-CG 4.16Å; W122-L138 HydrophobicContact CD2-CB 4.21Å; W122-L138 HydrophobicContact CE3-CB 4.38Å; W122-L138 HydrophobicContact CH2-CB 4.02Å; W122-L138 HydrophobicContact CZ2-CB 3.84Å; W122-L138 HydrophobicContact CZ2-CD1 3.78Å; W122-L138 HydrophobicContact CZ2-CG 4.48Å; W122-L138 HydrophobicContact CZ3-CB 4.27Å; W122-L138 PolarHBondContact N-O 2.9Å; W122-L138 PolarHBondContact O-N 3.44Å; W122-I140 HydrophobicContact CE3-CG2 4.49Å; W122-I140 HydrophobicContact CH2-CB 3.79Å; W122-I140 HydrophobicContact CH2-CD1 4.49Å; W122-I140 HydrophobicContact CH2-CG2 3.95Å; W122-I140 HydrophobicContact CZ3-CB 3.63Å; W122-I140 HydrophobicContact CZ3-CG2 3.45Å; W122-I140 VanDerWaalsContact CZ3-CG2 3.45Å
123	N	97.5	Very high	95.4	Very high	76 Å²	76	60.9 Å²	60.9	41%	0.406	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.3	173.2	-175.6	-95.5	0	0	0	110.3	M108 E136 L137	M108-N123 WeakPolarHBondContact CE-O 3.37Å; N123-E136 WeakPolarHBondContact CA-O 3.38Å; N123-E136 PolarHBondContact ND2-O 2.86Å; N123-L137 HydrophobicContact CB-CD1 4.46Å
124	T	97.5	Very high	95.7	Very high	6 Å²	6	61.9 Å²	61.9	4%	0.037	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.1	166.5	179	0	0	0	0	109.4	H102 D127 P135 E136 L138	H102-T124 WeakPolarHBondContact CB-OG1 3.44Å; T124-D127 HydrophobicContact CG2-CB 3.86Å; T124-P135 CarbonylContact O-C 3.56Å; T124-P135 WeakPolarHBondContact O-CA 3.31Å; T124-E136 HydrophobicContact CG2-CB 3.74Å; T124-E136 PolarHBondContact N-O 3.01Å; T124-E136 PolarHBondContact O-N 2.83Å; T124-L138 HydrophobicContact CG2-CD1 4.03Å
125	H	96.9	Very high	96.3	Very high	145 Å²	145	61.9 Å²	61.9	67%	0.671	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	-21	-178.6	-66.3	-66.6	0	0	0	113.4
126	A	97.6	Very high	96.9	Very high	53 Å²	53	58.2 Å²	58.2	44%	0.438	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	66.8	-171.4	0	0	0	0	0	111.2	P133	A126-P133 HydrophobicContact CB-CB 4.19Å
127	D	98.4	Very high	97.1	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.011	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.7	164.1	-170.1	-107.4	0	0	0	110.3	R70 A100 N101 H102 T124 A129 C132 P133 K134 E136	R70-D127 IonicContact NH1-OD1 3.41Å; R70-D127 IonicContact NH2-OD1 4Å; A100-D127 WeakPolarHBondContact CA-OD2 3.22Å; N101-D127 PolarHBondContact N-OD2 2.69Å; H102-D127 IonicContact CE1-OD2 3.94Å; H102-D127 IonicContact CG-OD2 3.2Å; H102-D127 IonicContact ND1-OD2 2.88Å; H102-D127 PolarHBondContact ND1-OD2 2.87Å; T124-D127 HydrophobicContact CG2-CB 3.86Å; D127-A129 WeakPolarHBondContact OD1-CB 3.44Å; D127-A129 PolarHBondContact OD1-N 3.42Å; D127-C132 VanDerWaalsContact O-O 3.09Å; D127-P133 WeakPolarHBondContact O-CA 3.43Å; D127-K134 PolarHBondContact N-O 3.29Å; D127-K134 PolarHBondContact O-N 3.03Å; D127-E136 HydrophobicContact CB-CB 4.27Å; D127-E136 HydrophobicContact CB-CG 3.7Å
128	F	98.3	Very high	97.3	Very high	90 Å²	90	55 Å²	55	40%	0.395	29%	0.291	S	S	.	.			trans	-115.4	24.3	-174.8	-156.5	-103.3	0	0	0	112.1	N101 D130 E131 P133	N101-F128 PolarHBondContact O-N 2.88Å; F128-D130 PolarHBondContact O-N 3.41Å; F128-E131 HydrophobicContact CE1-CB 4.24Å; F128-E131 VanDerWaalsContact CE2-C 3.44Å; F128-E131 WeakPolarHBondContact CE2-O 3.36Å; F128-E131 HydrophobicContact CZ-CB 4.42Å; F128-E131 WeakPolarHBondContact CZ-O 3.49Å; F128-E131 PolarHBondContact O-N 3.36Å; F128-P133 HydrophobicContact CD2-CB 4.46Å; F128-P133 HydrophobicContact CD2-CG 3.89Å; F128-P133 HydrophobicContact CE2-CG 3.94Å
129	A	97.6	Very high	97.4	Very high	12 Å²	12	50.1 Å²	50.1	10%	0.099	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.6	-178.5	0	0	0	0	0	113.8	I98 D127	I98-A129 HydrophobicContact CG2-CB 3.84Å; D127-A129 WeakPolarHBondContact OD1-CB 3.44Å; D127-A129 PolarHBondContact OD1-N 3.42Å
130	D	96	Very high	97.4	Very high	66 Å²	66	49.9 Å²	49.9	35%	0.353	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	24.4	177.4	-50.4	-32	0	0	0	111.5	R57 R70 F128 C132 K134	R57-D130 IonicContact NH2-OD2 2.8Å; R57-D130 PolarHBondContact NH2-OD2 3.36Å; R70-D130 IonicContact CZ-OD1 3.82Å; R70-D130 VanDerWaalsContact NH2-CG 3.28Å; R70-D130 IonicContact NH2-OD1 3.08Å; R70-D130 PolarHBondContact NH2-OD1 2.99Å; R70-D130 IonicContact NH2-OD2 3.79Å; R70-D130 PolarHBondContact NH2-OD2 2.78Å; F128-D130 PolarHBondContact O-N 3.41Å; D130-C132 PolarHBondContact O-N 2.85Å; D130-K134 IonicContact OD2-NZ 3.11Å; D130-K134 PolarHBondContact OD2-NZ 3.46Å
131	E	95.4	Very high	97.4	Very high	168 Å²	168	54.5 Å²	54.5	79%	0.785	29%	0.289	S	S	*	.	S	Bend	trans	56.9	20.2	-177.6	-55.5	-175.1	143.3	0	0	114.8	F128	F128-E131 HydrophobicContact CE1-CB 4.24Å; F128-E131 VanDerWaalsContact CE2-C 3.44Å; F128-E131 WeakPolarHBondContact CE2-O 3.36Å; F128-E131 HydrophobicContact CZ-CB 4.42Å; F128-E131 WeakPolarHBondContact CZ-O 3.49Å; F128-E131 PolarHBondContact O-N 3.36Å
132	C	96.5	Very high	97.4	Very high	63 Å²	63	53.9 Å²	53.9	43%	0.426	28%	0.284	S	S	.	.	S	Bend	trans	-142.2	131.4	177.6	179	0	0	0	0	108.4	D127 D130 K134	D127-C132 VanDerWaalsContact O-O 3.09Å; D130-C132 PolarHBondContact O-N 2.85Å; C132-K134 PolarHBondContact O-N 3.48Å
133	P	97	Very high	97.4	Very high	83 Å²	83	60 Å²	60	54%	0.539	32%	0.317	S	S	.	.			trans	-66.9	121.8	-178.1	-15.6	30.6	0	0	0	110.7	A126 D127 F128	A126-P133 HydrophobicContact CB-CB 4.19Å; D127-P133 WeakPolarHBondContact O-CA 3.43Å; F128-P133 HydrophobicContact CD2-CB 4.46Å; F128-P133 HydrophobicContact CD2-CG 3.89Å; F128-P133 HydrophobicContact CE2-CG 3.94Å
134	K	96.2	Very high	97.4	Very high	72 Å²	72	59.1 Å²	59.1	31%	0.313	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.5	179.1	-65.4	176.1	-168.8	174.8	0	111.4	D127 D130 C132 E136	D127-K134 PolarHBondContact N-O 3.29Å; D127-K134 PolarHBondContact O-N 3.03Å; D130-K134 IonicContact OD2-NZ 3.11Å; D130-K134 PolarHBondContact OD2-NZ 3.46Å; C132-K134 PolarHBondContact O-N 3.48Å; K134-E136 HydrophobicContact CB-CG 4.45Å
135	P	97	Very high	97.3	Very high	97 Å²	97	60.4 Å²	60.4	63%	0.63	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.7	167.1	29.7	-32.4	0	0	0	109.4	T124	T124-P135 CarbonylContact O-C 3.56Å; T124-P135 WeakPolarHBondContact O-CA 3.31Å
136	E	96.7	Very high	97.4	Very high	16 Å²	16	59 Å²	59	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.4	-174.6	-68.2	-68.1	173.3	0	0	111	R57 N123 T124 D127 K134 L138	R57-E136 VanDerWaalsContact CD-OE2 3.26Å; R57-E136 WeakPolarHBondContact CD-OE2 3.4Å; R57-E136 WeakPolarHBondContact CG-OE2 3.43Å; R57-E136 IonicContact CZ-OE1 2.64Å; R57-E136 IonicContact CZ-OE2 3.96Å; R57-E136 IonicContact NE-OE1 3.93Å; R57-E136 PolarHBondContact NE-OE1 3.26Å; R57-E136 IonicContact NE-OE2 3.67Å; R57-E136 PolarHBondContact NE-OE2 3.41Å; R57-E136 IonicContact NH2-OE1 2.85Å; R57-E136 PolarHBondContact NH2-OE1 3.47Å; R57-E136 IonicContact NH2-OE2 2.74Å; N123-E136 WeakPolarHBondContact CA-O 3.38Å; N123-E136 PolarHBondContact ND2-O 2.86Å; T124-E136 HydrophobicContact CG2-CB 3.74Å; T124-E136 PolarHBondContact N-O 3.01Å; T124-E136 PolarHBondContact O-N 2.83Å; D127-E136 HydrophobicContact CB-CB 4.27Å; D127-E136 HydrophobicContact CB-CG 3.7Å; K134-E136 HydrophobicContact CB-CG 4.45Å; E136-L138 HydrophobicContact CB-CD1 4.45Å; E136-L138 HydrophobicContact CB-CD2 3.94Å; E136-L138 HydrophobicContact CB-CG 3.92Å
137	L	97.4	Very high	97.4	Very high	60 Å²	60	57.9 Å²	57.9	31%	0.314	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.2	162.5	-179.9	67.2	0	0	0	107.5	F58 W67 V121 N123	F58-L137 HydrophobicContact CB-CB 3.92Å; F58-L137 HydrophobicContact CB-CD2 3.85Å; F58-L137 HydrophobicContact CB-CG 4.04Å; F58-L137 HydrophobicContact CD1-CD2 3.87Å; F58-L137 HydrophobicContact CG-CD2 3.88Å; F58-L137 PolarHBondContact N-O 3.46Å; W67-L137 HydrophobicContact CH2-CD2 4.33Å; W67-L137 HydrophobicContact CH2-CG 4.1Å; V121-L137 HydrophobicContact CG1-CD1 3.69Å; V121-L137 HydrophobicContact CG1-CG 4.2Å; N123-L137 HydrophobicContact CB-CD1 4.46Å
138	L	98.1	Very high	97.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.3	-172.6	-62.7	177.4	0	0	0	110.4	L55 F56 R57 H102 V121 W122 T124 E136	L55-L138 HydrophobicContact CD1-CB 4.3Å; F56-L138 WeakPolarHBondContact O-CA 3.31Å; R57-L138 HydrophobicContact CB-CD2 4.44Å; H102-L138 VanDerWaalsContact CE1-CD1 3.49Å; H102-L138 WeakPolarHBondContact CE1-CD1 3.42Å; V121-L138 CarbonylContact C-O 3.6Å; V121-L138 VanDerWaalsContact CA-O 3.26Å; V121-L138 WeakPolarHBondContact CA-O 2.96Å; V121-L138 WeakPolarHBondContact CG1-O 3.49Å; W122-L138 HydrophobicContact CD2-CB 4.21Å; W122-L138 HydrophobicContact CE3-CB 4.38Å; W122-L138 HydrophobicContact CH2-CB 4.02Å; W122-L138 HydrophobicContact CZ2-CB 3.84Å; W122-L138 HydrophobicContact CZ2-CD1 3.78Å; W122-L138 HydrophobicContact CZ2-CG 4.48Å; W122-L138 HydrophobicContact CZ3-CB 4.27Å; W122-L138 PolarHBondContact N-O 2.9Å; W122-L138 PolarHBondContact O-N 3.44Å; T124-L138 HydrophobicContact CG2-CD1 4.03Å; E136-L138 HydrophobicContact CB-CD1 4.45Å; E136-L138 HydrophobicContact CB-CD2 3.94Å; E136-L138 HydrophobicContact CB-CG 3.92Å
139	A	98	Very high	97.4	Very high	3 Å²	3	57.6 Å²	57.6	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.2	165.7	0	0	0	0	0	110.2	L55 F56 W67 W120 V121	L55-A139 CarbonylContact C-O 3.55Å; L55-A139 WeakPolarHBondContact CA-O 3.22Å; F56-A139 HydrophobicContact CB-CB 4.28Å; F56-A139 PolarHBondContact N-O 3.45Å; F56-A139 PolarHBondContact O-N 3.18Å; W67-A139 HydrophobicContact CE3-CB 3.96Å; W67-A139 HydrophobicContact CH2-CB 3.67Å; W67-A139 HydrophobicContact CZ2-CB 4.25Å; W67-A139 HydrophobicContact CZ3-CB 3.5Å; W67-A139 VanDerWaalsContact CZ3-CB 3.5Å; W120-A139 CarbonylContact O-C 3.53Å; W120-A139 WeakPolarHBondContact O-CA 3.26Å; V121-A139 HydrophobicContact CG2-CB 3.93Å
140	I	98.6	Very high	97.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.1	176.4	-164.2	165.6	0	0	0	109.7	A53 K54 L55 V75 A119 W120 W122 F142 F151	A53-I140 HydrophobicContact CB-CD1 3.65Å; A53-I140 HydrophobicContact CB-CG1 3.6Å; K54-I140 CarbonylContact O-C 3.58Å; K54-I140 WeakPolarHBondContact O-CA 3.39Å; L55-I140 HydrophobicContact CD1-CB 4.26Å; V75-I140 HydrophobicContact CB-CD1 3.93Å; V75-I140 HydrophobicContact CG1-CD1 3.79Å; V75-I140 HydrophobicContact CG2-CD1 4.02Å; A119-I140 CarbonylContact C-O 3.55Å; A119-I140 WeakPolarHBondContact CA-O 3.45Å; A119-I140 WeakPolarHBondContact CB-O 3.43Å; W120-I140 HydrophobicContact CB-CG2 4.25Å; W120-I140 PolarHBondContact N-O 2.91Å; W120-I140 PolarHBondContact O-N 3.45Å; W122-I140 HydrophobicContact CE3-CG2 4.49Å; W122-I140 HydrophobicContact CH2-CB 3.79Å; W122-I140 HydrophobicContact CH2-CD1 4.49Å; W122-I140 HydrophobicContact CH2-CG2 3.95Å; W122-I140 HydrophobicContact CZ3-CB 3.63Å; W122-I140 HydrophobicContact CZ3-CG2 3.45Å; W122-I140 VanDerWaalsContact CZ3-CG2 3.45Å; I140-F142 HydrophobicContact CB-CE2 4.5Å; I140-F142 HydrophobicContact CD1-CE1 4.39Å; I140-F142 HydrophobicContact CD1-CE2 4.39Å; I140-F142 HydrophobicContact CD1-CZ 3.78Å; I140-F142 HydrophobicContact CG1-CE2 4.15Å; I140-F142 HydrophobicContact CG1-CZ 3.98Å; I140-F142 HydrophobicContact CG2-CE2 3.66Å; I140-F142 HydrophobicContact CG2-CZ 4.08Å; I140-F151 HydrophobicContact CG2-CD1 4.36Å; I140-F151 HydrophobicContact CG2-CE1 3.92Å; I140-F151 HydrophobicContact CG2-CZ 4.45Å
141	R	98.1	Very high	97.6	Very high	110 Å²	110	58.4 Å²	58.4	42%	0.415	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.6	179.3	-169.8	173.9	65.4	-177.7	-1.2	110.6	A53 K54 F56 R118 A119	A53-R141 WeakPolarHBondContact CA-O 3.31Å; K54-R141 PolarHBondContact N-O 2.92Å; K54-R141 PolarHBondContact O-N 3.19Å; F56-R141 HydrophobicContact CE2-CB 4.03Å; R118-R141 HydrophobicContact CG-CG 3.93Å; R118-R141 WeakPolarHBondContact O-CA 3.3Å; A119-R141 HydrophobicContact CB-CB 4.21Å; A119-R141 HydrophobicContact CB-CG 4.25Å
142	F	98.5	Very high	97.7	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.026	27%	0.274	C	S	.	.			trans	-104.3	169	177.6	-62.9	-84.3	0	0	0	111.7	M51 A53 V75 R118 I140 N144 N147 A148 F151	M51-F142 HydrophobicContact CB-CE1 4.38Å; M51-F142 HydrophobicContact CG-CD1 4.21Å; M51-F142 HydrophobicContact CG-CE1 4.34Å; M51-F142 HydrophobicContact SD-CD1 3.84Å; M51-F142 HydrophobicContact SD-CE1 4.12Å; A53-F142 HydrophobicContact CB-CD1 4Å; A53-F142 HydrophobicContact CB-CE1 3.75Å; A53-F142 HydrophobicContact CB-CZ 4.32Å; V75-F142 HydrophobicContact CG1-CE1 4.04Å; V75-F142 HydrophobicContact CG1-CZ 4.31Å; R118-F142 VanDerWaalsContact CD-O 3.31Å; R118-F142 WeakPolarHBondContact CD-O 3.41Å; R118-F142 PolarHBondContact O-N 3.25Å; I140-F142 HydrophobicContact CB-CE2 4.5Å; I140-F142 HydrophobicContact CD1-CE1 4.39Å; I140-F142 HydrophobicContact CD1-CE2 4.39Å; I140-F142 HydrophobicContact CD1-CZ 3.78Å; I140-F142 HydrophobicContact CG1-CE2 4.15Å; I140-F142 HydrophobicContact CG1-CZ 3.98Å; I140-F142 HydrophobicContact CG2-CE2 3.66Å; I140-F142 HydrophobicContact CG2-CZ 4.08Å; F142-N144 PolarHBondContact O-N 3.09Å; F142-N147 HydrophobicContact CB-CB 3.91Å; F142-N147 HydrophobicContact CD1-CB 4.48Å; F142-N147 HydrophobicContact CG-CB 4.4Å; F142-A148 HydrophobicContact CB-CB 4.25Å; F142-A148 VanDerWaalsContact CD2-CA 3.49Å; F142-A148 HydrophobicContact CD2-CB 3.73Å; F142-A148 HydrophobicContact CG-CB 4.32Å; F142-F151 HydrophobicContact CE1-CB 3.96Å; F142-F151 HydrophobicContact CE1-CD2 4.38Å; F142-F151 HydrophobicContact CE1-CG 4.16Å; F142-F151 HydrophobicContact CE2-CB 3.65Å; F142-F151 AromaticContact CE2-CD1 3.6Å; F142-F151 HydrophobicContact CE2-CD1 3.6Å; F142-F151 HydrophobicContact CE2-CD2 4.47Å; F142-F151 HydrophobicContact CE2-CE1 4.36Å; F142-F151 AromaticContact CE2-CG 3.65Å; F142-F151 HydrophobicContact CE2-CG 3.65Å; F142-F151 HydrophobicContact CZ-CB 3.35Å; F142-F151 AromaticContact CZ-CD1 3.6Å; F142-F151 HydrophobicContact CZ-CD1 3.6Å; F142-F151 AromaticContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CE1 4.26Å; F142-F151 HydrophobicContact CZ-CE2 4.31Å; F142-F151 AromaticContact CZ-CG 3.22Å; F142-F151 HydrophobicContact CZ-CG 3.22Å
143	L	97.6	Very high	97.8	Very high	132 Å²	132	53.9 Å²	53.9	69%	0.691	28%	0.279	S	S	*	.	S	Bend	trans	-58.6	-47.5	179.7	179.9	61.4	0	0	0	112	R118	R118-L143 PolarHBondContact NH1-O 2.83Å
144	N	97.2	Very high	97.8	Very high	58 Å²	58	52 Å²	52	31%	0.31	26%	0.263	S	S	.	.	S	Bend	trans	-138.1	168.5	-177.5	61.5	22.9	0	0	0	110.7	F142 E146 N147 A148	F142-N144 PolarHBondContact O-N 3.09Å; N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact O-N 2.77Å; N144-N147 PolarHBondContact O-N 3.45Å; N144-N147 WeakPolarHBondContact OD1-CB 3.43Å; N144-N147 PolarHBondContact OD1-N 2.98Å; N144-N147 PolarHBondContact OD1-ND2 3.24Å; N144-N147 PolarHBondContact OD1-OD1 2.94Å; N144-A148 PolarHBondContact O-N 2.79Å
145	A	97.3	Very high	97.9	Very high	32 Å²	32	48.6 Å²	48.6	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-35.3	-179.6	0	0	0	0	0	112.5	D117 N147 A148 Q149	D117-A145 HydrophobicContact CB-CB 4.31Å; A145-N147 PolarHBondContact O-N 3.49Å; A145-A148 WeakPolarHBondContact O-CB 3.44Å; A145-A148 PolarHBondContact O-N 2.88Å; A145-Q149 WeakPolarHBondContact O-CG 3.25Å; A145-Q149 PolarHBondContact O-N 3.09Å
146	E	98	Very high	98	Very high	115 Å²	115	48 Å²	48	54%	0.537	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-46.3	178.2	-169.7	-167.1	155.1	0	0	111.8	N144 A148 Q149 K150	N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact O-N 2.77Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 2.76Å; E146-Q149 PolarHBondContact O-N 3.42Å; E146-K150 WeakPolarHBondContact O-CG 3.49Å; E146-K150 PolarHBondContact O-N 3.39Å; E146-K150 WeakPolarHBondContact OE1-CE 3.42Å; E146-K150 IonicContact OE1-NZ 2.62Å; E146-K150 PolarHBondContact OE1-NZ 2.98Å
147	N	98.2	Very high	98	Very high	30 Å²	30	51.8 Å²	51.8	16%	0.16	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-39	176.3	-76.2	-2.4	0	0	0	111.7	M51 F142 N144 A145 Q149 K150 F151	M51-N147 HydrophobicContact CE-CB 4.4Å; M51-N147 HydrophobicContact SD-CB 3.46Å; M51-N147 WeakPolarHBondContact SD-CB 3.22Å; F142-N147 HydrophobicContact CB-CB 3.91Å; F142-N147 HydrophobicContact CD1-CB 4.48Å; F142-N147 HydrophobicContact CG-CB 4.4Å; N144-N147 PolarHBondContact O-N 3.45Å; N144-N147 WeakPolarHBondContact OD1-CB 3.43Å; N144-N147 PolarHBondContact OD1-N 2.98Å; N144-N147 PolarHBondContact OD1-ND2 3.24Å; N144-N147 PolarHBondContact OD1-OD1 2.94Å; A145-N147 PolarHBondContact O-N 3.49Å; N147-Q149 VanDerWaalsContact C-N 3.34Å; N147-K150 PolarHBondContact O-N 2.68Å; N147-F151 PolarHBondContact O-N 3.14Å
148	A	97.9	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-42.2	174	0	0	0	0	0	111.6	R118 W120 F142 N144 A145 E146 F151 K152	R118-A148 HydrophobicContact CB-CB 4.43Å; W120-A148 PolarHBondContact NE1-O 2.76Å; F142-A148 HydrophobicContact CB-CB 4.25Å; F142-A148 VanDerWaalsContact CD2-CA 3.49Å; F142-A148 HydrophobicContact CD2-CB 3.73Å; F142-A148 HydrophobicContact CG-CB 4.32Å; N144-A148 PolarHBondContact O-N 2.79Å; A145-A148 WeakPolarHBondContact O-CB 3.44Å; A145-A148 PolarHBondContact O-N 2.88Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 2.76Å; A148-F151 PolarHBondContact O-N 2.83Å; A148-K152 PolarHBondContact O-N 2.77Å
149	Q	97.9	Very high	98	Very high	86 Å²	86	52.7 Å²	52.7	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-43.4	175.2	-63.6	-51.8	-40.2	0	0	111.9	W120 A145 E146 N147 F151 K152 T153	W120-Q149 VanDerWaalsContact CZ2-NE2 3.3Å; A145-Q149 WeakPolarHBondContact O-CG 3.25Å; A145-Q149 PolarHBondContact O-N 3.09Å; E146-Q149 PolarHBondContact O-N 3.42Å; N147-Q149 VanDerWaalsContact C-N 3.34Å; Q149-F151 VanDerWaalsContact C-N 3.31Å; Q149-F151 PolarHBondContact O-N 2.9Å; Q149-K152 PolarHBondContact O-N 2.85Å; Q149-K152 VanDerWaalsContact O-N 3.09Å; Q149-T153 PolarHBondContact O-N 2.93Å; Q149-T153 PolarHBondContact O-OG1 3.14Å; Q149-T153 VanDerWaalsContact O-OG1 3.12Å
150	K	98.4	Very high	97.9	Very high	96 Å²	96	58.3 Å²	58.3	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-55.8	-46	175.5	-73.8	174.6	-176	165.4	0	111.8	F49 M51 E146 N147 K154	F49-K150 HydrophobicContact CE2-CB 4.44Å; M51-K150 HydrophobicContact CE-CB 4.23Å; M51-K150 HydrophobicContact CE-CD 4.29Å; E146-K150 WeakPolarHBondContact O-CG 3.49Å; E146-K150 PolarHBondContact O-N 3.39Å; E146-K150 WeakPolarHBondContact OE1-CE 3.42Å; E146-K150 IonicContact OE1-NZ 2.62Å; E146-K150 PolarHBondContact OE1-NZ 2.98Å; N147-K150 PolarHBondContact O-N 2.68Å; K150-K154 WeakPolarHBondContact O-CB 3.25Å; K150-K154 PolarHBondContact O-N 2.8Å; K150-K154 VanDerWaalsContact O-N 3.08Å
151	F	98.5	Very high	97.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-48.2	174.4	173.4	-102.1	0	0	0	111.5	F49 V75 L88 L110 W120 I140 F142 N147 A148 Q149 T153 K154 F155	F49-F151 HydrophobicContact CD1-CD2 4.08Å; F49-F151 HydrophobicContact CE1-CB 4.18Å; F49-F151 AromaticContact CE1-CD2 3.6Å; F49-F151 HydrophobicContact CE1-CD2 3.6Å; F49-F151 HydrophobicContact CE1-CG 4.38Å; F49-F151 HydrophobicContact CZ-CB 3.79Å; F49-F151 HydrophobicContact CZ-CD2 4.08Å; F49-F151 HydrophobicContact CZ-CG 4.46Å; V75-F151 HydrophobicContact CG1-CD2 4.4Å; V75-F151 HydrophobicContact CG1-CE2 4.35Å; V75-F151 HydrophobicContact CG2-CE2 4.18Å; L88-F151 HydrophobicContact CD1-CE2 4.34Å; L88-F151 HydrophobicContact CD1-CZ 4.01Å; L110-F151 HydrophobicContact CD1-CD1 4.01Å; L110-F151 HydrophobicContact CD1-CE1 3.71Å; L110-F151 HydrophobicContact CD2-CE1 4.16Å; W120-F151 AromaticContact CD1-CD1 3.85Å; I140-F151 HydrophobicContact CG2-CD1 4.36Å; I140-F151 HydrophobicContact CG2-CE1 3.92Å; I140-F151 HydrophobicContact CG2-CZ 4.45Å; F142-F151 HydrophobicContact CE1-CB 3.96Å; F142-F151 HydrophobicContact CE1-CD2 4.38Å; F142-F151 HydrophobicContact CE1-CG 4.16Å; F142-F151 HydrophobicContact CE2-CB 3.65Å; F142-F151 AromaticContact CE2-CD1 3.6Å; F142-F151 HydrophobicContact CE2-CD1 3.6Å; F142-F151 HydrophobicContact CE2-CD2 4.47Å; F142-F151 HydrophobicContact CE2-CE1 4.36Å; F142-F151 AromaticContact CE2-CG 3.65Å; F142-F151 HydrophobicContact CE2-CG 3.65Å; F142-F151 HydrophobicContact CZ-CB 3.35Å; F142-F151 AromaticContact CZ-CD1 3.6Å; F142-F151 HydrophobicContact CZ-CD1 3.6Å; F142-F151 AromaticContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CE1 4.26Å; F142-F151 HydrophobicContact CZ-CE2 4.31Å; F142-F151 AromaticContact CZ-CG 3.22Å; F142-F151 HydrophobicContact CZ-CG 3.22Å; N147-F151 PolarHBondContact O-N 3.14Å; A148-F151 PolarHBondContact O-N 2.83Å; Q149-F151 VanDerWaalsContact C-N 3.31Å; Q149-F151 PolarHBondContact O-N 2.9Å; F151-T153 PolarHBondContact O-N 3.49Å; F151-K154 PolarHBondContact O-N 2.91Å; F151-F155 HydrophobicContact CE1-CB 4.49Å; F151-F155 HydrophobicContact CE1-CD2 4.24Å; F151-F155 HydrophobicContact CE2-CD2 4.32Å; F151-F155 AromaticContact CZ-CD2 3.75Å; F151-F155 HydrophobicContact CZ-CD2 3.75Å; F151-F155 HydrophobicContact CZ-CE2 4.45Å; F151-F155 HydrophobicContact CZ-CG 4.47Å; F151-F155 VanDerWaalsContact O-CB 3.22Å; F151-F155 WeakPolarHBondContact O-CB 3.43Å; F151-F155 PolarHBondContact O-N 3.36Å
152	K	98	Very high	97.7	Very high	48 Å²	48	56.8 Å²	56.8	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-49.4	-180	175.9	172.9	176.8	-179.4	0	112	L110 W120 A148 Q149 K154 F155 E156	L110-K152 HydrophobicContact CD1-CB 4.08Å; L110-K152 HydrophobicContact CD1-CG 4.12Å; W120-K152 HydrophobicContact CD2-CD 4.31Å; W120-K152 HydrophobicContact CE3-CD 4.25Å; W120-K152 HydrophobicContact CH2-CD 3.37Å; W120-K152 HydrophobicContact CZ2-CB 3.84Å; W120-K152 HydrophobicContact CZ2-CD 3.37Å; W120-K152 HydrophobicContact CZ2-CG 4.2Å; W120-K152 HydrophobicContact CZ3-CD 3.83Å; A148-K152 PolarHBondContact O-N 2.77Å; Q149-K152 PolarHBondContact O-N 2.85Å; Q149-K152 VanDerWaalsContact O-N 3.09Å; K152-K154 VanDerWaalsContact C-N 3.32Å; K152-K154 PolarHBondContact O-N 3.35Å; K152-F155 PolarHBondContact O-N 2.85Å; K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 HydrophobicContact CG-CG 4.36Å; K152-E156 IonicContact NZ-OE1 3.65Å; K152-E156 WeakPolarHBondContact O-CB 3.4Å; K152-E156 WeakPolarHBondContact O-CG 3.12Å; K152-E156 PolarHBondContact O-N 3.49Å
153	T	98.4	Very high	97.6	Very high	88 Å²	88	59.3 Å²	59.3	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-56.4	-47.7	177.9	-59.8	0	0	0	0	110.9	Q149 F151 E156 E157	Q149-T153 PolarHBondContact O-N 2.93Å; Q149-T153 PolarHBondContact O-OG1 3.14Å; Q149-T153 VanDerWaalsContact O-OG1 3.12Å; F151-T153 PolarHBondContact O-N 3.49Å; T153-E156 PolarHBondContact O-N 3.33Å; T153-E157 WeakPolarHBondContact O-CB 3.21Å; T153-E157 PolarHBondContact O-N 3.07Å
154	K	98.4	Very high	97.4	Very high	43 Å²	43	56.8 Å²	56.8	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-70.3	-35	-178.5	-164.4	47.6	170.5	170.2	0	112.7	L48 F49 L77 K150 F151 K152 E157 C158	L48-K154 WeakPolarHBondContact O-CE 3.12Å; F49-K154 HydrophobicContact CB-CG 3.83Å; F49-K154 HydrophobicContact CD2-CB 3.89Å; F49-K154 HydrophobicContact CD2-CG 3.93Å; F49-K154 HydrophobicContact CE2-CB 4.49Å; F49-K154 HydrophobicContact CG-CB 4.43Å; F49-K154 HydrophobicContact CG-CG 4.22Å; L77-K154 HydrophobicContact CD1-CG 4.26Å; K150-K154 WeakPolarHBondContact O-CB 3.25Å; K150-K154 PolarHBondContact O-N 2.8Å; K150-K154 VanDerWaalsContact O-N 3.08Å; F151-K154 PolarHBondContact O-N 2.91Å; K152-K154 VanDerWaalsContact C-N 3.32Å; K152-K154 PolarHBondContact O-N 3.35Å; K154-E157 HydrophobicContact CD-CB 4.49Å; K154-E157 WeakPolarHBondContact CD-OE2 3.37Å; K154-E157 IonicContact NZ-OE1 2.94Å; K154-E157 PolarHBondContact NZ-OE1 3.01Å; K154-E157 IonicContact NZ-OE2 3.29Å; K154-E157 PolarHBondContact NZ-OE2 2.9Å; K154-C158 PolarHBondContact O-N 2.71Å; K154-C158 PolarHBondContact O-SG 3.43Å
155	F	98.5	Very high	97.2	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-45.2	174.4	-171.5	-79.6	0	0	0	111.8	L77 L88 I104 M108 L110 F151 K152 C158 R159	L77-F155 HydrophobicContact CD1-CB 4.4Å; L77-F155 HydrophobicContact CD2-CD2 4.3Å; L88-F155 HydrophobicContact CD1-CE2 4.26Å; I104-F155 HydrophobicContact CD1-CD2 3.79Å; I104-F155 HydrophobicContact CD1-CE2 3.61Å; I104-F155 HydrophobicContact CD1-CG 4.37Å; I104-F155 HydrophobicContact CD1-CZ 4.06Å; I104-F155 HydrophobicContact CG1-CE2 3.86Å; I104-F155 HydrophobicContact CG1-CZ 4.04Å; I104-F155 HydrophobicContact CG2-CE1 4.37Å; I104-F155 HydrophobicContact CG2-CZ 4.23Å; M108-F155 HydrophobicContact CG-CE1 4.34Å; M108-F155 HydrophobicContact CG-CZ 4Å; M108-F155 HydrophobicContact SD-CE1 4.46Å; M108-F155 HydrophobicContact SD-CE2 4.44Å; M108-F155 HydrophobicContact SD-CZ 3.59Å; M108-F155 VanDerWaalsContact SD-CZ 3.59Å; L110-F155 HydrophobicContact CD1-CB 3.73Å; L110-F155 HydrophobicContact CD1-CD1 3.73Å; L110-F155 HydrophobicContact CD1-CD2 4.36Å; L110-F155 HydrophobicContact CD1-CE1 4.47Å; L110-F155 HydrophobicContact CD1-CG 3.68Å; L110-F155 HydrophobicContact CD2-CD1 4.3Å; L110-F155 HydrophobicContact CD2-CE1 4.25Å; L110-F155 HydrophobicContact CD2-CG 4.46Å; L110-F155 HydrophobicContact CD2-CZ 4.35Å; L110-F155 HydrophobicContact CG-CD1 3.74Å; L110-F155 HydrophobicContact CG-CE1 4.02Å; L110-F155 HydrophobicContact CG-CG 4.12Å; F151-F155 HydrophobicContact CE1-CB 4.49Å; F151-F155 HydrophobicContact CE1-CD2 4.24Å; F151-F155 HydrophobicContact CE2-CD2 4.32Å; F151-F155 AromaticContact CZ-CD2 3.75Å; F151-F155 HydrophobicContact CZ-CD2 3.75Å; F151-F155 HydrophobicContact CZ-CE2 4.45Å; F151-F155 HydrophobicContact CZ-CG 4.47Å; F151-F155 VanDerWaalsContact O-CB 3.22Å; F151-F155 WeakPolarHBondContact O-CB 3.43Å; F151-F155 PolarHBondContact O-N 3.36Å; K152-F155 PolarHBondContact O-N 2.85Å; F155-C158 PolarHBondContact O-N 3.01Å; F155-R159 WeakPolarHBondContact O-CB 3.26Å; F155-R159 PolarHBondContact O-N 3Å
156	E	98	Very high	96.7	Very high	85 Å²	85	64.4 Å²	64.4	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-37.7	177.5	-74.1	179.6	172.4	0	0	112.2	K152 T153 R159 K160	K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 HydrophobicContact CG-CG 4.36Å; K152-E156 IonicContact NZ-OE1 3.65Å; K152-E156 WeakPolarHBondContact O-CB 3.4Å; K152-E156 WeakPolarHBondContact O-CG 3.12Å; K152-E156 PolarHBondContact O-N 3.49Å; T153-E156 PolarHBondContact O-N 3.33Å; E156-R159 PolarHBondContact O-N 3.41Å; E156-K160 WeakPolarHBondContact O-CB 3.49Å; E156-K160 PolarHBondContact O-N 2.83Å
157	E	97.8	Very high	96.3	Very high	95 Å²	95	66 Å²	66	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-50.3	171.3	-171.3	-166.1	148.2	0	0	110.9	T153 K154 R159 K160 E161	T153-E157 WeakPolarHBondContact O-CB 3.21Å; T153-E157 PolarHBondContact O-N 3.07Å; K154-E157 HydrophobicContact CD-CB 4.49Å; K154-E157 WeakPolarHBondContact CD-OE2 3.37Å; K154-E157 IonicContact NZ-OE1 2.94Å; K154-E157 PolarHBondContact NZ-OE1 3.01Å; K154-E157 IonicContact NZ-OE2 3.29Å; K154-E157 PolarHBondContact NZ-OE2 2.9Å; E157-R159 PolarHBondContact O-N 2.82Å; E157-K160 PolarHBondContact O-N 2.79Å; E157-E161 PolarHBondContact O-N 2.79Å
158	C	97.7	Very high	95.3	Very high	0 Å²	0	72 Å²	72	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-45.3	177.5	-66	0	0	0	0	111.9	I86 I104 K154 F155 K160 E161 I162	I86-C158 HydrophobicContact CD1-CB 3.79Å; I86-C158 HydrophobicContact CG2-CB 4.04Å; I104-C158 HydrophobicContact CD1-CB 3.92Å; K154-C158 PolarHBondContact O-N 2.71Å; K154-C158 PolarHBondContact O-SG 3.43Å; F155-C158 PolarHBondContact O-N 3.01Å; C158-K160 VanDerWaalsContact C-N 3.34Å; C158-K160 PolarHBondContact O-N 2.84Å; C158-E161 WeakPolarHBondContact O-CB 3.45Å; C158-E161 PolarHBondContact O-N 2.6Å; C158-I162 WeakPolarHBondContact O-CG1 3.4Å; C158-I162 PolarHBondContact O-N 3.07Å
159	R	97.1	Very high	93.6	Very high	78 Å²	78	73.6 Å²	73.6	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-58.2	-46.5	177.4	-179.8	-153.4	169.3	-145.9	-5.6	111.1	I104 P106 M108 F155 E156 E157 I162 E163	I104-R159 HydrophobicContact CG2-CB 3.94Å; I104-R159 HydrophobicContact CG2-CG 4.43Å; P106-R159 PolarHBondContact O-NE 2.89Å; P106-R159 PolarHBondContact O-NH2 2.79Å; M108-R159 WeakPolarHBondContact O-CD 3.2Å; M108-R159 PolarHBondContact O-NE 3.34Å; M108-R159 VanDerWaalsContact O-NE 3.09Å; F155-R159 WeakPolarHBondContact O-CB 3.26Å; F155-R159 PolarHBondContact O-N 3Å; E156-R159 PolarHBondContact O-N 3.41Å; E157-R159 PolarHBondContact O-N 2.82Å; R159-I162 PolarHBondContact O-N 3.08Å; R159-E163 PolarHBondContact O-N 2.77Å
160	K	96.7	Very high	91.5	Very high	121 Å²	121	76.8 Å²	76.8	53%	0.526	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-40.3	179.3	-172	-176.7	177.6	-164.3	0	111.4	E156 E157 C158 I162 E163 E164	E156-K160 WeakPolarHBondContact O-CB 3.49Å; E156-K160 PolarHBondContact O-N 2.83Å; E157-K160 PolarHBondContact O-N 2.79Å; C158-K160 VanDerWaalsContact C-N 3.34Å; C158-K160 PolarHBondContact O-N 2.84Å; K160-I162 VanDerWaalsContact C-N 3.34Å; K160-I162 PolarHBondContact O-N 2.82Å; K160-E163 WeakPolarHBondContact O-CB 3.16Å; K160-E163 PolarHBondContact O-N 2.9Å; K160-E164 WeakPolarHBondContact CE-OE1 3.26Å; K160-E164 IonicContact NZ-OE1 2.76Å; K160-E164 WeakPolarHBondContact O-CG 3.47Å; K160-E164 PolarHBondContact O-N 3.31Å
161	E	96.4	Very high	88.9	Confident	65 Å²	65	75 Å²	75	30%	0.304	38%	0.378	S	S	.	.	H	α-helix	trans	-59.2	-44.8	175	-172.9	-177.6	155.6	0	0	111.7	K79 E157 C158 E164 R165	K79-E161 VanDerWaalsContact CE-OE1 3.22Å; K79-E161 WeakPolarHBondContact CE-OE1 3.33Å; K79-E161 IonicContact NZ-OE1 2.68Å; K79-E161 PolarHBondContact NZ-OE1 2.89Å; E157-E161 PolarHBondContact O-N 2.79Å; C158-E161 WeakPolarHBondContact O-CB 3.45Å; C158-E161 PolarHBondContact O-N 2.6Å; E161-E164 PolarHBondContact O-N 2.94Å; E161-R165 WeakPolarHBondContact O-CB 3.15Å; E161-R165 PolarHBondContact O-N 2.95Å
162	I	95.7	Very high	86.2	Confident	13 Å²	13	83.1 Å²	83.1	7%	0.067	41%	0.414	C	S	.	.	H	α-helix	trans	-63.6	-42.6	175.3	-62.7	-57	0	0	0	111.3	G84 I86 P106 C158 R159 K160 E164 R165 E166	G84-I162 WeakPolarHBondContact O-CD1 3.13Å; I86-I162 HydrophobicContact CB-CD1 4.11Å; I86-I162 HydrophobicContact CB-CG1 4.26Å; I86-I162 HydrophobicContact CD1-CD1 4.03Å; I86-I162 HydrophobicContact CD1-CG1 4.15Å; I86-I162 HydrophobicContact CG1-CD1 3.87Å; I86-I162 HydrophobicContact CG1-CG1 4.31Å; P106-I162 HydrophobicContact CG-CG2 3.92Å; C158-I162 WeakPolarHBondContact O-CG1 3.4Å; C158-I162 PolarHBondContact O-N 3.07Å; R159-I162 PolarHBondContact O-N 3.08Å; K160-I162 VanDerWaalsContact C-N 3.34Å; K160-I162 PolarHBondContact O-N 2.82Å; I162-E164 PolarHBondContact O-N 2.99Å; I162-R165 WeakPolarHBondContact O-CB 3.39Å; I162-R165 PolarHBondContact O-N 2.78Å; I162-E166 PolarHBondContact O-N 2.87Å
163	E	95.6	Very high	83.5	Confident	60 Å²	60	86.4 Å²	86.4	28%	0.28	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-44.9	177.2	-172.3	-173.6	-179.1	0	0	112.1	P106 R159 K160 R165 E166 K167	P106-E163 HydrophobicContact CB-CB 3.93Å; P106-E163 HydrophobicContact CB-CG 4.09Å; P106-E163 HydrophobicContact CG-CB 4.16Å; R159-E163 PolarHBondContact O-N 2.77Å; K160-E163 WeakPolarHBondContact O-CB 3.16Å; K160-E163 PolarHBondContact O-N 2.9Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 2.85Å; E163-E166 PolarHBondContact O-N 3.29Å; E163-K167 VanDerWaalsContact CD-NZ 3.3Å; E163-K167 HydrophobicContact CG-CD 4.46Å; E163-K167 WeakPolarHBondContact O-CG 3.41Å; E163-K167 PolarHBondContact O-N 3.49Å; E163-K167 VanDerWaalsContact O-N 3.09Å; E163-K167 WeakPolarHBondContact OE1-CE 3.33Å; E163-K167 IonicContact OE1-NZ 2.87Å; E163-K167 PolarHBondContact OE1-NZ 2.93Å
164	E	94.3	Very high	81.3	Confident	79 Å²	79	87.6 Å²	87.6	37%	0.369	44%	0.437	S	S	.	.	H	α-helix	trans	-64.5	-36.4	176.5	-72.9	-179.4	-170.9	0	0	112	K160 E161 I162 K167 K168	K160-E164 WeakPolarHBondContact CE-OE1 3.26Å; K160-E164 IonicContact NZ-OE1 2.76Å; K160-E164 WeakPolarHBondContact O-CG 3.47Å; K160-E164 PolarHBondContact O-N 3.31Å; E161-E164 PolarHBondContact O-N 2.94Å; I162-E164 PolarHBondContact O-N 2.99Å; E164-K167 PolarHBondContact O-N 2.99Å; E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.45Å; E164-K168 PolarHBondContact O-N 2.74Å
165	R	91.4	Very high	79.1	Confident	116 Å²	116	89.9 Å²	89.9	44%	0.438	45%	0.451	S	S	.	.	H	α-helix	trans	-66	-42.8	176.3	-178.2	174.2	174.6	-111	-8	112	K83 E161 I162 E163 K167 K168	K83-R165 PolarHBondContact O-NH1 3.45Å; K83-R165 PolarHBondContact O-NH2 3.06Å; E161-R165 WeakPolarHBondContact O-CB 3.15Å; E161-R165 PolarHBondContact O-N 2.95Å; I162-R165 WeakPolarHBondContact O-CB 3.39Å; I162-R165 PolarHBondContact O-N 2.78Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 2.85Å; R165-K167 VanDerWaalsContact C-N 3.32Å; R165-K167 PolarHBondContact O-N 3.1Å; R165-K168 PolarHBondContact O-N 3.17Å
166	E	88.4	Confident	77.1	Confident	134 Å²	134	93 Å²	93	63%	0.626	48%	0.477	S	S	*	.	H	α-helix	trans	-64.3	-38.3	175.7	-71.6	-167.3	166.6	0	0	111.7	P106 I162 E163 K168 G169	P106-E166 WeakPolarHBondContact CG-OE2 3.47Å; I162-E166 PolarHBondContact O-N 2.87Å; E163-E166 PolarHBondContact O-N 3.29Å; E166-K168 PolarHBondContact O-N 2.75Å; E166-G169 PolarHBondContact O-N 2.7Å
167	K	88.1	Confident	75.1	Confident	149 Å²	149	95 Å²	95	65%	0.648	49%	0.487	S	S	*	.	H	α-helix	trans	-66.4	-33.6	175.8	-72.5	172.8	-174.5	167.5	0	113.5	E163 E164 R165 G169	E163-K167 VanDerWaalsContact CD-NZ 3.3Å; E163-K167 HydrophobicContact CG-CD 4.46Å; E163-K167 WeakPolarHBondContact O-CG 3.41Å; E163-K167 PolarHBondContact O-N 3.49Å; E163-K167 VanDerWaalsContact O-N 3.09Å; E163-K167 WeakPolarHBondContact OE1-CE 3.33Å; E163-K167 IonicContact OE1-NZ 2.87Å; E163-K167 PolarHBondContact OE1-NZ 2.93Å; E164-K167 PolarHBondContact O-N 2.99Å; R165-K167 VanDerWaalsContact C-N 3.32Å; R165-K167 PolarHBondContact O-N 3.1Å; K167-G169 PolarHBondContact O-N 2.85Å
168	K	78.7	Confident	73.3	Confident	154 Å²	154	97 Å²	97	67%	0.67	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.8	176.9	-73.1	171.3	-175.5	170.5	0	113	E164 R165 E166	E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.45Å; E164-K168 PolarHBondContact O-N 2.74Å; R165-K168 PolarHBondContact O-N 3.17Å; E166-K168 PolarHBondContact O-N 2.75Å
169	G	60.8	Low	71.8	Confident	34 Å²	34	100.8 Å²	100.8	35%	0.351	52%	0.517	S	S	.	.			trans	62.9	176.4	-175.9	0	0	0	0	0	112.5	E166 K167 G171	E166-G169 PolarHBondContact O-N 2.7Å; K167-G169 PolarHBondContact O-N 2.85Å; G169-G171 PolarHBondContact O-N 2.73Å
170	P	54.2	Low	70.5	Confident	153 Å²	153	99.5 Å²	99.5	99%	0.994	52%	0.523	S	S	*	.	S	Bend	trans	-71.1	74.3	169.8	30.2	-32.3	0	0	0	109.1
171	G	44.3	Very low	69.1	Low	58 Å²	58	100.2 Å²	100.2	60%	0.598	53%	0.528	S	S	*	.			trans	-154.3	36.4	-159.7	0	0	0	0	0	115.8	G169	G169-G171 PolarHBondContact O-N 2.73Å
172	K	40.8	Very low	68	Low	172 Å²	172	104.5 Å²	104.5	75%	0.748	55%	0.545	S	S	*	.			trans	-169.9	78.9	145	-133.9	166.3	175.8	178.6	0	108.3	D174	K172-D174 PolarHBondContact O-N 2.74Å
173	N	41.2	Very low	66.9	Low	117 Å²	117	109.7 Å²	109.7	63%	0.626	57%	0.573	S	S	*	*			trans	-72.3	108.3	159.1	-88.3	-5.7	0	0	0	105.4	N175 A176	N173-N175 HydrophobicContact CB-CB 4.26Å; N173-N175 PolarHBondContact O-N 2.76Å; N173-A176 PolarHBondContact O-N 2.84Å
174	D	52.2	Low	65.8	Low	112 Å²	112	113.7 Å²	113.7	60%	0.599	59%	0.592	S	S	*	*	H	α-helix	trans	-54	-13.1	165.3	-63.6	-35	0	0	0	111.6	K172 K178	K172-D174 PolarHBondContact O-N 2.74Å; D174-K178 PolarHBondContact O-N 3.02Å
175	N	52.6	Low	64.7	Low	91 Å²	91	112.7 Å²	112.7	49%	0.487	60%	0.597	S	S	.	*	H	α-helix	trans	-72.2	-28.8	171.7	-134.6	-5.7	0	0	0	113.7	N173 V179	N173-N175 HydrophobicContact CB-CB 4.26Å; N173-N175 PolarHBondContact O-N 2.76Å; N175-V179 VanDerWaalsContact O-CB 3.27Å; N175-V179 WeakPolarHBondContact O-CB 3.34Å; N175-V179 WeakPolarHBondContact O-CG2 3.25Å; N175-V179 PolarHBondContact O-N 2.85Å
176	A	56.1	Low	63.7	Low	68 Å²	68	112.3 Å²	112.3	56%	0.562	60%	0.603	S	S	*	*	H	α-helix	trans	-69.7	-36	176.4	0	0	0	0	0	111.5	N173 A180	N173-A176 PolarHBondContact O-N 2.84Å; A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.25Å; A176-A180 PolarHBondContact O-N 2.86Å
177	E	56.6	Low	62.8	Low	127 Å²	127	109.5 Å²	109.5	59%	0.593	60%	0.598	S	S	*	*	H	α-helix	trans	-72.2	-41	176.6	-156.3	164.4	-166.2	0	0	111	A180 E181	E177-A180 PolarHBondContact O-N 3.24Å; E177-E181 PolarHBondContact O-N 2.88Å
178	K	60.7	Low	61.5	Low	136 Å²	136	107 Å²	107	59%	0.591	60%	0.595	S	S	*	*	H	α-helix	trans	-65.8	-35.8	171.9	-87.6	-179.6	175.1	173.9	0	114.2	D174 K182	D174-K178 PolarHBondContact O-N 3.02Å; K178-K182 WeakPolarHBondContact O-CB 3.47Å; K178-K182 WeakPolarHBondContact O-CG 3.17Å; K178-K182 PolarHBondContact O-N 3.29Å; K178-K182 VanDerWaalsContact O-N 3.08Å
179	V	65.3	Low	60.7	Low	80 Å²	80	108.8 Å²	108.8	49%	0.485	60%	0.597	S	S	.	*	H	α-helix	trans	-72.5	-38.3	175.9	172.6	0	0	0	0	109.9	N175 K182 L183	N175-V179 VanDerWaalsContact O-CB 3.27Å; N175-V179 WeakPolarHBondContact O-CB 3.34Å; N175-V179 WeakPolarHBondContact O-CG2 3.25Å; N175-V179 PolarHBondContact O-N 2.85Å; V179-K182 PolarHBondContact O-N 3.2Å; V179-L183 WeakPolarHBondContact O-CB 2.97Å; V179-L183 PolarHBondContact O-N 2.9Å
180	A	70.2	Confident	60.7	Low	50 Å²	50	113.2 Å²	113.2	41%	0.413	61%	0.609	S	S	.	*	H	α-helix	trans	-64	-46.1	173.5	0	0	0	0	0	112.2	A176 E177 K182 L183 E184	A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.25Å; A176-A180 PolarHBondContact O-N 2.86Å; E177-A180 PolarHBondContact O-N 3.24Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 3.29Å; A180-L183 PolarHBondContact O-N 3.08Å; A180-L183 VanDerWaalsContact O-N 3.16Å; A180-E184 PolarHBondContact O-N 2.69Å
181	E	67.2	Low	60.9	Low	137 Å²	137	108.8 Å²	108.8	64%	0.64	59%	0.586	S	S	*	*	H	α-helix	trans	-59.9	-40.8	174.6	-97.4	-172.5	144.9	0	0	112.2	E177 A185	E177-E181 PolarHBondContact O-N 2.88Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.47Å; E181-A185 PolarHBondContact O-N 2.83Å
182	K	73.1	Confident	61.7	Low	154 Å²	154	115.3 Å²	115.3	67%	0.67	59%	0.592	S	S	*	*	H	α-helix	trans	-69	-35.5	175.8	-80.6	-174.7	175.1	-175.4	0	112.5	K178 V179 A180 L186	K178-K182 WeakPolarHBondContact O-CB 3.47Å; K178-K182 WeakPolarHBondContact O-CG 3.17Å; K178-K182 PolarHBondContact O-N 3.29Å; K178-K182 VanDerWaalsContact O-N 3.08Å; V179-K182 PolarHBondContact O-N 3.2Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 3.29Å; K182-L186 WeakPolarHBondContact O-CD1 3.29Å; K182-L186 PolarHBondContact O-N 3.31Å; K182-L186 VanDerWaalsContact O-N 3.14Å
183	L	73.4	Confident	62.5	Low	122 Å²	122	113.6 Å²	113.6	64%	0.639	59%	0.587	S	S	*	*	H	α-helix	trans	-68.4	-42.2	177.3	-135.4	85.7	0	0	0	111.2	V179 A180 L186 S187	V179-L183 WeakPolarHBondContact O-CB 2.97Å; V179-L183 PolarHBondContact O-N 2.9Å; A180-L183 PolarHBondContact O-N 3.08Å; A180-L183 VanDerWaalsContact O-N 3.16Å; L183-L186 PolarHBondContact O-N 2.74Å; L183-S187 PolarHBondContact O-N 2.93Å
184	E	71.6	Confident	63.3	Low	145 Å²	145	114.6 Å²	114.6	68%	0.678	59%	0.588	S	S	*	*	H	α-helix	trans	-65.8	-40.4	175.2	-75.2	-167.5	165.9	0	0	111.7	A180 L186 S187 V188	A180-E184 PolarHBondContact O-N 2.69Å; E184-L186 VanDerWaalsContact C-N 3.27Å; E184-L186 PolarHBondContact O-N 2.84Å; E184-S187 PolarHBondContact O-N 3.28Å; E184-V188 WeakPolarHBondContact O-CG2 3.43Å; E184-V188 PolarHBondContact O-N 3.23Å; E184-V188 VanDerWaalsContact O-N 3.11Å
185	A	72.2	Confident	63.6	Low	58 Å²	58	112.3 Å²	112.3	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-29	176.6	0	0	0	0	0	113.6	E181	E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.47Å; E181-A185 PolarHBondContact O-N 2.83Å
186	L	69.4	Low	63.9	Low	108 Å²	108	114.5 Å²	114.5	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-76.2	-44.4	174.1	-97.4	142.1	0	0	0	111.7	K182 L183 E184 V188 R189 E190	K182-L186 WeakPolarHBondContact O-CD1 3.29Å; K182-L186 PolarHBondContact O-N 3.31Å; K182-L186 VanDerWaalsContact O-N 3.14Å; L183-L186 PolarHBondContact O-N 2.74Å; E184-L186 VanDerWaalsContact C-N 3.27Å; E184-L186 PolarHBondContact O-N 2.84Å; L186-V188 VanDerWaalsContact C-N 3.28Å; L186-V188 PolarHBondContact O-N 2.95Å; L186-R189 PolarHBondContact O-N 2.83Å; L186-E190 PolarHBondContact O-N 2.9Å; L186-E190 VanDerWaalsContact O-N 3.17Å
187	S	70.7	Confident	63.9	Low	74 Å²	74	118.2 Å²	118.2	52%	0.517	60%	0.597	S	S	.	*	H	α-helix	trans	-61.8	-34.7	178.5	177.4	0	0	0	0	112.9	L183 E184 R189 A191	L183-S187 PolarHBondContact O-N 2.93Å; E184-S187 PolarHBondContact O-N 3.28Å; S187-R189 VanDerWaalsContact C-N 3.32Å; S187-R189 PolarHBondContact O-N 3.24Å; S187-A191 PolarHBondContact O-N 3.47Å
188	V	60.3	Low	64	Low	98 Å²	98	119.8 Å²	119.8	59%	0.594	60%	0.602	S	S	*	*	H	α-helix	trans	-71.2	-26.8	176.6	174.8	0	0	0	0	112.4	E184 L186 R192	E184-V188 WeakPolarHBondContact O-CG2 3.43Å; E184-V188 PolarHBondContact O-N 3.23Å; E184-V188 VanDerWaalsContact O-N 3.11Å; L186-V188 VanDerWaalsContact C-N 3.28Å; L186-V188 PolarHBondContact O-N 2.95Å; V188-R192 PolarHBondContact O-N 2.87Å
189	R	62.7	Low	63.9	Low	190 Å²	190	117 Å²	117	72%	0.717	60%	0.6	S	S	*	*	H	α-helix	trans	-76.5	-44	176.6	-77	180	172.1	-176.7	-2.6	111.9	L186 S187 A191 R192 E193	L186-R189 PolarHBondContact O-N 2.83Å; S187-R189 VanDerWaalsContact C-N 3.32Å; S187-R189 PolarHBondContact O-N 3.24Å; R189-A191 VanDerWaalsContact C-N 3.3Å; R189-A191 PolarHBondContact O-N 2.92Å; R189-R192 PolarHBondContact O-N 3.41Å; R189-E193 PolarHBondContact O-N 2.89Å; R189-E193 VanDerWaalsContact O-N 3.1Å
190	E	59.6	Low	63.4	Low	127 Å²	127	120.9 Å²	120.9	59%	0.593	61%	0.613	S	S	*	*	H	α-helix	trans	-60.1	-40.6	175.8	-72.4	179.5	139	0	0	111.6	L186 R192 E193 E194	L186-E190 PolarHBondContact O-N 2.9Å; L186-E190 VanDerWaalsContact O-N 3.17Å; E190-R192 PolarHBondContact O-N 3.32Å; E190-E193 PolarHBondContact O-N 2.64Å; E190-E194 PolarHBondContact O-N 2.86Å; E190-E194 VanDerWaalsContact O-N 3.1Å
191	A	59.3	Low	62.6	Low	61 Å²	61	126.7 Å²	126.7	50%	0.504	63%	0.631	S	S	.	*	H	α-helix	trans	-66.5	-23.4	176.7	0	0	0	0	0	114.1	S187 R189	S187-A191 PolarHBondContact O-N 3.47Å; R189-A191 VanDerWaalsContact C-N 3.3Å; R189-A191 PolarHBondContact O-N 2.92Å
192	R	59.7	Low	61.9	Low	194 Å²	194	129.3 Å²	129.3	73%	0.732	64%	0.64	S	S	*	*	H	α-helix	trans	-82.7	-38.3	176.9	-116.4	-178.8	-179.9	-160.4	-1	111.9	V188 R189 E190 A195 E196	V188-R192 PolarHBondContact O-N 2.87Å; R189-R192 PolarHBondContact O-N 3.41Å; E190-R192 PolarHBondContact O-N 3.32Å; R192-A195 PolarHBondContact O-N 2.8Å; R192-E196 PolarHBondContact O-N 2.84Å
193	E	58.6	Low	60.5	Low	137 Å²	137	133.8 Å²	133.8	64%	0.64	66%	0.664	S	S	*	*	H	α-helix	trans	-67	-41.7	176.3	-72.7	177.5	171.1	0	0	111.2	R189 E190 A195 E196 E197	R189-E193 PolarHBondContact O-N 2.89Å; R189-E193 VanDerWaalsContact O-N 3.1Å; E190-E193 PolarHBondContact O-N 2.64Å; E193-A195 VanDerWaalsContact C-N 3.26Å; E193-A195 PolarHBondContact O-N 2.85Å; E193-E196 PolarHBondContact O-N 3.4Å; E193-E197 PolarHBondContact O-N 3.04Å
194	E	58.1	Low	59.9	Low	137 Å²	137	134.4 Å²	134.4	64%	0.64	67%	0.665	S	S	*	*	H	α-helix	trans	-65.5	-25.3	175.4	-76.7	-168.3	160.4	0	0	113.9	E190	E190-E194 PolarHBondContact O-N 2.86Å; E190-E194 VanDerWaalsContact O-N 3.1Å
195	A	58.8	Low	59.3	Low	64 Å²	64	133.8 Å²	133.8	53%	0.529	67%	0.665	S	S	.	*	H	α-helix	trans	-81.1	-32.9	179.1	0	0	0	0	0	112.6	R192 E193	R192-A195 PolarHBondContact O-N 2.8Å; E193-A195 VanDerWaalsContact C-N 3.26Å; E193-A195 PolarHBondContact O-N 2.85Å
196	E	58.1	Low	58.5	Low	137 Å²	137	138.1 Å²	138.1	64%	0.64	68%	0.675	S	S	*	*	H	α-helix	trans	-72.6	-40.5	174.9	-81	179.9	162.7	0	0	111.2	R192 E193 K198 S199 E200	R192-E196 PolarHBondContact O-N 2.84Å; E193-E196 PolarHBondContact O-N 3.4Å; E196-K198 VanDerWaalsContact C-N 3.35Å; E196-K198 PolarHBondContact O-N 3.07Å; E196-S199 PolarHBondContact O-N 2.84Å; E196-S199 PolarHBondContact O-OG 3.29Å; E196-E200 PolarHBondContact O-N 3.5Å
197	E	56.3	Low	57.9	Low	146 Å²	146	139.8 Å²	139.8	68%	0.682	68%	0.681	S	S	*	*	H	α-helix	trans	-64.3	-36.2	-179.5	-139.3	175.6	-165.4	0	0	112.6	E193 S199	E193-E197 PolarHBondContact O-N 3.04Å; E197-S199 VanDerWaalsContact C-N 3.27Å; E197-S199 PolarHBondContact O-N 3.42Å
198	K	58.2	Low	57.1	Low	161 Å²	161	143.9 Å²	143.9	70%	0.7	69%	0.692	S	S	*	*	H	α-helix	trans	-72.4	-15.6	174.5	-83.6	-178	179.8	164.7	0	114.7	E196	E196-K198 VanDerWaalsContact C-N 3.35Å; E196-K198 PolarHBondContact O-N 3.07Å
199	S	58.1	Low	56.9	Low	77 Å²	77	147 Å²	147	54%	0.538	70%	0.698	S	S	.	*	H	α-helix	trans	-87.7	-26.4	179.3	73.7	0	0	0	0	112.6	E196 E197	E196-S199 PolarHBondContact O-N 2.84Å; E196-S199 PolarHBondContact O-OG 3.29Å; E197-S199 VanDerWaalsContact C-N 3.27Å; E197-S199 PolarHBondContact O-N 3.42Å
200	E	56.3	Low	56.5	Low	161 Å²	161	143.9 Å²	143.9	75%	0.752	70%	0.697	S	S	*	*	H	α-helix	trans	-81.5	-25.2	176	-71.1	-170.2	144.7	0	0	113.1	E196 K202	E196-E200 PolarHBondContact O-N 3.5Å; E200-K202 PolarHBondContact O-N 3.11Å
201	E	53.5	Low	56.2	Low	173 Å²	173	145.2 Å²	145.2	81%	0.808	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	3.4	-179.8	-143.1	-178.8	-172.4	0	0	114.4
202	K	52.1	Low	56	Low	191 Å²	191	152.3 Å²	152.3	83%	0.83	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	12.8	-176	-103.8	-173.9	-179.3	-178.2	0	116.1	E200	E200-K202 PolarHBondContact O-N 3.11Å
203	Q	43.9	Very low	55.6	Low	249 Å²	249	148.5 Å²	148.5	100%	1.164	72%	0.72	S	S	*	*			trans	-110.7	0	170.1	-75.3	-172.7	-6.7	0	0	111.7

Retrieved 203 of 203 residues in 40.4 ms (Link to these results)

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