RANG_HUMAN Loading...

Isoform 2 of Ran-specific GTPase-activating protein AlphaSync

Canonical isoform description: 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 nucleus (By similarity). Induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins¹. Promotes the disassembly of the complex formed by RAN and importin beta. Promotes dissociation of RAN from a complex with KPNA2 and CSE1L (By similarity). Required for normal mitotic spindle assembly and normal progress through mitosis via its effect on RAN². 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^4,5.

AlphaFold DB , UniProt , Accession P43487-2 (canonical: P43487), Species HUMAN (Homo sapiens, Human), Gene RANBP1, Length 200 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.7	Very low	45.7	Very low	244 Å²	244	148 Å²	148	100%	1.202	82%	0.818	S	S	*	*				0	125.9	0	-88.2	-178	169.8	0	0	107.5
2	A	46.1	Very low	45.4	Very low	94 Å²	94	147.8 Å²	147.8	78%	0.777	81%	0.814	S	S	*	*			trans	53.5	108.9	160.9	0	0	0	0	0	117.7
3	A	42.6	Very low	45.3	Very low	103 Å²	103	144.4 Å²	144.4	85%	0.851	80%	0.801	S	S	*	*				49.5	131.5	58.2	0	0	0	0	0	111.6
4	A	48.3	Very low	45.6	Very low	90 Å²	90	139.5 Å²	139.5	74%	0.744	78%	0.781	S	S	*	*			cis	-162.1	177	12	0	0	0	0	0	104.4
5	K	49.2	Very low	45.5	Very low	197 Å²	197	140 Å²	140	86%	0.857	79%	0.789	S	S	*	*			cis	-175.6	132.1	37	-142.3	166	-170.3	-172.9	0	107
6	D	47.7	Very low	45.5	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	78%	0.783	S	S	*	*			trans	-76.6	140.3	166.9	-161.2	-3.3	0	0	0	108.8
7	T	47.6	Very low	45.7	Very low	126 Å²	126	139.8 Å²	139.8	77%	0.773	78%	0.778	S	S	*	*			trans	-167.5	100.4	150.6	31.8	0	0	0	0	109.6	E9	T7-E9 PolarHBondContact O-N 3.42Å
8	H	43.8	Very low	46	Very low	157 Å²	157	139.7 Å²	139.7	73%	0.727	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-48.7	118	154.1	-169.7	-15	0	0	0	109.7
9	E	48.3	Very low	46.6	Very low	177 Å²	177	140.4 Å²	140.4	83%	0.827	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-102.2	121.7	167.7	-79.4	-175.2	158.3	0	0	108.7	T7 H11	T7-E9 PolarHBondContact O-N 3.42Å; E9-H11 PolarHBondContact O-N 3.12Å
10	D	40	Very low	47.2	Very low	137 Å²	137	143.3 Å²	143.3	73%	0.733	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60.5	119.4	177.8	-64.5	-67.4	0	0	0	111.1	D12	D10-D12 PolarHBondContact O-N 3.11Å; D10-D12 VanDerWaalsContact O-N 3.08Å
11	H	45.2	Very low	48.1	Very low	160 Å²	160	141.6 Å²	141.6	74%	0.741	79%	0.789	S	S	*	*			trans	-83.2	74.3	163	-163.3	-81.5	0	0	0	108.2	E9 T13	E9-H11 PolarHBondContact O-N 3.12Å; H11-T13 VanDerWaalsContact CE1-CG2 3.47Å; H11-T13 WeakPolarHBondContact CE1-CG2 3.35Å; H11-T13 PolarHBondContact CE1-OG1 3.21Å; H11-T13 PolarHBondContact ND1-OG1 3.14Å; H11-T13 PolarHBondContact O-N 3.32Å; H11-T13 PolarHBondContact O-OG1 3.44Å
12	D	42.7	Very low	49.4	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	77%	0.771	S	S	*	*			trans	-67.7	89.3	165	-156.8	-3.4	0	0	0	107	D10 S14	D10-D12 PolarHBondContact O-N 3.11Å; D10-D12 VanDerWaalsContact O-N 3.08Å; D12-S14 PolarHBondContact O-N 3.27Å
13	T	44.3	Very low	51.3	Low	104 Å²	104	141.1 Å²	141.1	64%	0.638	77%	0.772	S	S	*	*			trans	-76.9	85	176.5	-18.6	0	0	0	0	106.5	H11 T15	H11-T13 VanDerWaalsContact CE1-CG2 3.47Å; H11-T13 WeakPolarHBondContact CE1-CG2 3.35Å; H11-T13 PolarHBondContact CE1-OG1 3.21Å; H11-T13 PolarHBondContact ND1-OG1 3.14Å; H11-T13 PolarHBondContact O-N 3.32Å; H11-T13 PolarHBondContact O-OG1 3.44Å; T13-T15 PolarHBondContact O-N 3.21Å
14	S	48.2	Very low	53.5	Low	76 Å²	76	142.5 Å²	142.5	53%	0.531	77%	0.765	S	S	.	*			trans	-45.4	117.3	172	39.8	0	0	0	0	110.5	D12 E16	D12-S14 PolarHBondContact O-N 3.27Å; S14-E16 PolarHBondContact O-N 3.13Å
15	T	45.4	Very low	55.5	Low	147 Å²	147	141.2 Å²	141.2	90%	0.902	75%	0.75	S	S	*	*			trans	-54.7	85.1	155.5	30.5	0	0	0	0	109.3	T13	T13-T15 PolarHBondContact O-N 3.21Å
16	E	45	Very low	57.5	Low	147 Å²	147	139.7 Å²	139.7	69%	0.687	75%	0.745	S	S	*	*			trans	-121.2	105.7	170.7	-81.1	-170.7	127.5	0	0	110.3	S14	S14-E16 PolarHBondContact O-N 3.13Å
17	N	49.4	Very low	59.7	Low	129 Å²	129	140.4 Å²	140.4	69%	0.69	74%	0.742	S	S	*	*			trans	71.4	77.4	141	-52	-36.7	0	0	0	118.1	D19	N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 2.87Å
18	T	50.1	Low	61.8	Low	139 Å²	139	143.1 Å²	143.1	85%	0.853	75%	0.746	S	S	*	*			trans	-86.8	26.9	167.1	1.9	0	0	0	0	114.4
19	D	57.2	Low	64.2	Low	152 Å²	152	141.1 Å²	141.1	81%	0.813	75%	0.747	S	S	*	*			trans	-110.9	19.4	-168.4	-77.9	-38.8	0	0	0	115.8	N17	N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 2.87Å
20	E	58.7	Low	66.4	Low	199 Å²	199	140.8 Å²	140.8	93%	0.93	75%	0.749	S	S	*	*	S	Bend	trans	-100.5	4.3	180	-72.8	-158.5	145.7	0	0	115.8
21	S	66.7	Low	69.1	Low	108 Å²	108	139 Å²	139	76%	0.755	74%	0.743	S	S	*	*			trans	-101.5	1.1	-172.8	70.9	0	0	0	0	116.6
22	N	72	Confident	71.4	Confident	154 Å²	154	137 Å²	137	82%	0.824	75%	0.747	S	S	*	*			trans	-103.4	87.5	-180	-117.3	3	0	0	0	110.8	D24	N22-D24 PolarHBondContact O-N 3.34Å; N22-D24 VanDerWaalsContact O-N 3.11Å
23	H	85.1	Confident	73.9	Confident	174 Å²	174	136.9 Å²	136.9	81%	0.806	75%	0.746	S	S	*	*			trans	-67.5	105.3	170.6	-176.5	63.8	0	0	0	109.6	P25	H23-P25 WeakPolarHBondContact O-CD 3.38Å
24	D	88.9	Confident	76.3	Confident	132 Å²	132	137 Å²	137	71%	0.706	75%	0.748	S	S	*	*			trans	-115.3	92.7	177.4	-173.2	27.8	0	0	0	110.3	N22 Q26	N22-D24 PolarHBondContact O-N 3.34Å; N22-D24 VanDerWaalsContact O-N 3.11Å; D24-Q26 PolarHBondContact O-N 2.84Å
25	P	89.8	Confident	78.5	Confident	63 Å²	63	143 Å²	143	41%	0.409	77%	0.768	S	S	.	*			trans	-65.3	120	178.9	-22	33.7	0	0	0	112.1	H23 F27	H23-P25 WeakPolarHBondContact O-CD 3.38Å; P25-F27 HydrophobicContact CB-CE2 3.73Å; P25-F27 HydrophobicContact CB-CZ 3.92Å; P25-F27 WeakPolarHBondContact O-CD2 3.11Å; P25-F27 WeakPolarHBondContact O-CE2 3.48Å
26	Q	91.7	Very high	80.8	Confident	164 Å²	164	143.2 Å²	143.2	77%	0.766	76%	0.759	S	S	*	*			trans	-87.4	133.5	176.2	-170.1	63.6	27.8	0	0	111.5	D24	D24-Q26 PolarHBondContact O-N 2.84Å
27	F	93.2	Very high	83.2	Confident	159 Å²	159	144.7 Å²	144.7	70%	0.697	77%	0.765	S	S	*	*			trans	-124.6	149.2	175.1	-58.5	-84.8	0	0	0	111.3	P25	P25-F27 HydrophobicContact CB-CE2 3.73Å; P25-F27 HydrophobicContact CB-CZ 3.92Å; P25-F27 WeakPolarHBondContact O-CD2 3.11Å; P25-F27 WeakPolarHBondContact O-CE2 3.48Å
28	E	92.7	Very high	85.3	Confident	182 Å²	182	145.4 Å²	145.4	85%	0.85	77%	0.768	S	S	*	*			trans	-75.8	132.7	169	-67.4	-175.9	179	0	0	110	I30	E28-I30 PolarHBondContact O-N 3.35Å
29	P	93.3	Very high	87.4	Confident	115 Å²	115	145.8 Å²	145.8	75%	0.747	76%	0.757	S	S	*	*			trans	-62.3	127.7	176.8	-22.1	32.7	0	0	0	111.8	V31	P29-V31 VanDerWaalsContact C-N 3.31Å
30	I	95.6	Very high	89.1	Confident	170 Å²	170	142 Å²	142	87%	0.872	74%	0.74	S	S	*	*	S	Bend	trans	-70.2	-34.6	173.6	-56.5	175.2	0	0	0	110.4	E28	E28-I30 PolarHBondContact O-N 3.35Å
31	V	95.5	Very high	90.8	Very high	101 Å²	101	138.9 Å²	138.9	61%	0.612	73%	0.729	S	S	*	*			trans	-142.2	147	-178.3	-64.8	0	0	0	0	110.4	P29 L33	P29-V31 VanDerWaalsContact C-N 3.31Å; V31-L33 HydrophobicContact CG2-CD2 4.16Å; V31-L33 HydrophobicContact CG2-CG 4.4Å
32	S	93.8	Very high	92.2	Very high	118 Å²	118	134.8 Å²	134.8	83%	0.825	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-98.2	123.8	166.6	-173.9	0	0	0	0	108.5
33	L	95.1	Very high	93.2	Very high	142 Å²	142	131.7 Å²	131.7	74%	0.743	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-98.3	129.4	177.9	-61.5	178.7	0	0	0	108.8	V31	V31-L33 HydrophobicContact CG2-CD2 4.16Å; V31-L33 HydrophobicContact CG2-CG 4.4Å
34	P	94.5	Very high	93.8	Very high	107 Å²	107	128.4 Å²	128.4	70%	0.695	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-65.5	146.8	172.6	29.3	-33.8	0	0	0	109.8	Q36	P34-Q36 PolarHBondContact O-N 3.48Å
35	E	95	Very high	94.2	Very high	202 Å²	202	123.3 Å²	123.3	94%	0.944	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-63.6	131.3	166.9	-171.8	170.6	-167	0	0	108.9
36	Q	94.5	Very high	94.5	Very high	151 Å²	151	125.3 Å²	125.3	71%	0.706	64%	0.643	S	S	*	*			trans	-131.3	128.4	-175.6	-175.4	176	-21.8	0	0	110.1	P34 I38	P34-Q36 PolarHBondContact O-N 3.48Å; Q36-I38 PolarHBondContact O-N 3.25Å
37	E	94	Very high	94.8	Very high	177 Å²	177	121.9 Å²	121.9	83%	0.827	63%	0.627	S	S	*	*			trans	-74.2	121.4	169.8	-169.1	-178	172.7	0	0	109.6
38	I	93.3	Very high	95.1	Very high	144 Å²	144	116 Å²	116	74%	0.738	60%	0.603	S	S	*	*			trans	-107.7	120.1	-179.5	-57.7	173.3	0	0	0	108.5	Q36	Q36-I38 PolarHBondContact O-N 3.25Å
39	K	94.1	Very high	95.4	Very high	147 Å²	147	108.5 Å²	108.5	64%	0.639	57%	0.567	S	S	*	*			trans	-80.3	145.1	173.4	-62.9	-173.9	178.5	-175.8	0	110.6	L41	K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 HydrophobicContact CB-CD2 4.29Å
40	T	94	Very high	95.6	Very high	74 Å²	74	108 Å²	108	45%	0.454	55%	0.553	S	S	.	*			trans	-77.1	-22.8	177.2	63.1	0	0	0	0	112.4	E42 E43 R91	T40-E42 PolarHBondContact OG1-N 2.92Å; T40-E43 WeakPolarHBondContact CB-OE1 3.36Å; T40-E43 PolarHBondContact N-OE1 3.05Å; T40-E43 PolarHBondContact OG1-OE1 3.11Å; T40-R91 PolarHBondContact O-NH2 3.34Å
41	L	94.2	Very high	95.7	Very high	132 Å²	132	101.4 Å²	101.4	69%	0.691	52%	0.519	S	S	*	.	S	Bend	trans	61.8	30.9	-170.1	-52.5	176.3	0	0	0	112.1	K39 E43 R87	K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 HydrophobicContact CB-CD2 4.29Å; L41-E43 WeakPolarHBondContact CA-OE2 3.03Å; L41-E43 PolarHBondContact N-OE1 3.33Å; L41-E43 PolarHBondContact N-OE2 3.33Å; L41-R87 PolarHBondContact O-NH2 3.49Å
42	E	95.1	Very high	95.9	Very high	23 Å²	23	102 Å²	102	11%	0.107	51%	0.51	C	S	.	.			trans	-119.8	-0.7	176.1	-59.1	173.4	-140.1	0	0	110.9	T40 D44 E45 K76 L78 L89 R91	T40-E42 PolarHBondContact OG1-N 2.92Å; E42-D44 VanDerWaalsContact C-N 3.34Å; E42-D44 PolarHBondContact O-N 3.39Å; E42-E45 PolarHBondContact O-N 3.24Å; E42-K76 IonicContact OE2-NZ 3.52Å; E42-K76 PolarHBondContact OE2-NZ 3.42Å; E42-L78 HydrophobicContact CB-CD1 4.41Å; E42-L78 HydrophobicContact CG-CD1 4.02Å; E42-L89 HydrophobicContact CG-CD2 3.71Å; E42-L89 WeakPolarHBondContact OE1-CD2 3.17Å; E42-R91 IonicContact OE1-CZ 3.75Å; E42-R91 IonicContact OE1-NE 2.8Å; E42-R91 PolarHBondContact OE1-NE 3.07Å; E42-R91 IonicContact OE1-NH2 2.76Å; E42-R91 PolarHBondContact OE1-NH2 3.24Å
43	E	94.8	Very high	96.1	Very high	88 Å²	88	96.7 Å²	96.7	41%	0.411	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.4	-170.2	-62.7	77.8	-168.7	0	0	113.4	T40 L41 E45 K81	T40-E43 WeakPolarHBondContact CB-OE1 3.36Å; T40-E43 PolarHBondContact N-OE1 3.05Å; T40-E43 PolarHBondContact OG1-OE1 3.11Å; L41-E43 WeakPolarHBondContact CA-OE2 3.03Å; L41-E43 PolarHBondContact N-OE1 3.33Å; L41-E43 PolarHBondContact N-OE2 3.33Å; E43-E45 VanDerWaalsContact C-N 3.26Å; E43-E45 PolarHBondContact O-N 3.17Å; E43-K81 PolarHBondContact O-NZ 3Å
44	D	96	Very high	96.2	Very high	106 Å²	106	93 Å²	93	57%	0.567	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	9.9	179.1	-62.9	-39	0	0	0	113	E42 K81	E42-D44 VanDerWaalsContact C-N 3.34Å; E42-D44 PolarHBondContact O-N 3.39Å; D44-K81 WeakPolarHBondContact O-CB 3.19Å; D44-K81 VanDerWaalsContact O-CG 3.28Å; D44-K81 WeakPolarHBondContact O-CG 3.31Å; D44-K81 PolarHBondContact O-N 3.24Å
45	E	97.4	Very high	96.4	Very high	25 Å²	25	87.9 Å²	87.9	12%	0.117	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.6	-177.3	-56.6	-175.7	124.8	0	0	112.3	E42 E43 L78 K79 H80 R87	E42-E45 PolarHBondContact O-N 3.24Å; E43-E45 VanDerWaalsContact C-N 3.26Å; E43-E45 PolarHBondContact O-N 3.17Å; E45-L78 HydrophobicContact CB-CB 4.05Å; E45-L78 VanDerWaalsContact OE2-CD1 3.22Å; E45-L78 WeakPolarHBondContact OE2-CD1 3.19Å; E45-K79 CarbonylContact C-O 3.54Å; E45-K79 VanDerWaalsContact CA-O 3.27Å; E45-K79 WeakPolarHBondContact CA-O 3.28Å; E45-H80 HydrophobicContact CG-CB 4.46Å; E45-R87 VanDerWaalsContact CD-NE 3.3Å; E45-R87 IonicContact OE1-CZ 3.82Å; E45-R87 IonicContact OE1-NE 2.78Å; E45-R87 PolarHBondContact OE1-NE 2.8Å; E45-R87 IonicContact OE1-NH2 3.67Å; E45-R87 IonicContact OE2-CZ 3.76Å; E45-R87 VanDerWaalsContact OE2-CZ 3.23Å; E45-R87 IonicContact OE2-NE 3.83Å; E45-R87 PolarHBondContact OE2-NE 3.12Å; E45-R87 IonicContact OE2-NH2 2.91Å; E45-R87 PolarHBondContact OE2-NH2 3.05Å
46	E	97.6	Very high	96.6	Very high	105 Å²	105	79.3 Å²	79.3	49%	0.491	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.2	171.5	-176.2	-175	179.9	0	0	109.3	L48 L78 K79	E46-L48 HydrophobicContact CG-CD2 4.09Å; E46-L48 PolarHBondContact O-N 3Å; E46-L78 CarbonylContact O-C 3.55Å; E46-L78 WeakPolarHBondContact O-CA 3.48Å; E46-K79 PolarHBondContact N-O 2.92Å; E46-K79 PolarHBondContact O-N 3.07Å
47	E	98.2	Very high	96.7	Very high	92 Å²	92	74.5 Å²	74.5	43%	0.43	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	103.3	175.1	-171.9	177.2	100.6	0	0	110.2	K50 K76 L78	E47-K50 HydrophobicContact CG-CB 4.2Å; E47-K50 WeakPolarHBondContact OE1-CB 3.34Å; E47-K50 VanDerWaalsContact OE1-CD 3.28Å; E47-K50 WeakPolarHBondContact OE1-CD 3.42Å; E47-K76 WeakPolarHBondContact OE2-CD 3.48Å; E47-K76 VanDerWaalsContact OE2-CE 3.3Å; E47-K76 WeakPolarHBondContact OE2-CE 3.4Å; E47-K76 IonicContact OE2-NZ 2.62Å; E47-L78 HydrophobicContact CB-CD2 4.02Å; E47-L78 HydrophobicContact CG-CD2 4.17Å
48	L	98.1	Very high	96.9	Very high	36 Å²	36	68.9 Å²	68.9	19%	0.188	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-25	-179.7	-58.1	-175.8	0	0	0	113	E46 L77 K79 I86 K154 C158	E46-L48 HydrophobicContact CG-CD2 4.09Å; E46-L48 PolarHBondContact O-N 3Å; L48-L77 HydrophobicContact CB-CB 4.28Å; L48-L77 PolarHBondContact N-O 2.92Å; L48-K79 HydrophobicContact CD1-CB 3.74Å; L48-K79 HydrophobicContact CD1-CD 4.33Å; L48-K79 HydrophobicContact CD2-CB 4.28Å; L48-K79 HydrophobicContact CG-CB 4Å; L48-I86 HydrophobicContact CD1-CD1 4.15Å; L48-I86 HydrophobicContact CD1-CG2 4.29Å; L48-K154 VanDerWaalsContact O-CE 3.31Å; L48-K154 WeakPolarHBondContact O-CE 3.27Å; L48-C158 VanDerWaalsContact CD1-SG 3.59Å
49	F	98.5	Very high	96.9	Very high	23 Å²	23	62.1 Å²	62.1	10%	0.101	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	142.9	-178.8	-174	-96	0	0	0	109.3	M51 V75 K76 L77 K150 F151 K154	F49-M51 HydrophobicContact CD1-CB 4.32Å; F49-M51 HydrophobicContact CE1-CB 3.35Å; F49-M51 HydrophobicContact CE1-CG 4.49Å; F49-M51 HydrophobicContact CE1-SD 4.48Å; F49-M51 HydrophobicContact CE2-CE 3.85Å; F49-M51 HydrophobicContact CZ-CB 3.52Å; F49-M51 HydrophobicContact CZ-CE 3.52Å; F49-M51 HydrophobicContact CZ-CG 4.27Å; F49-M51 HydrophobicContact CZ-SD 3.77Å; F49-V75 HydrophobicContact CE1-CG1 4.19Å; F49-K76 WeakPolarHBondContact O-CA 3.24Å; F49-L77 HydrophobicContact CB-CB 3.93Å; F49-L77 HydrophobicContact CB-CD1 4.09Å; F49-L77 HydrophobicContact CB-CG 3.98Å; F49-L77 PolarHBondContact O-N 3.16Å; F49-K150 HydrophobicContact CE2-CB 4.32Å; F49-F151 AromaticContact CD1-CD2 3.95Å; F49-F151 HydrophobicContact CD1-CD2 3.95Å; F49-F151 HydrophobicContact CE1-CB 4.05Å; F49-F151 AromaticContact CE1-CD2 3.55Å; F49-F151 HydrophobicContact CE1-CD2 3.55Å; F49-F151 HydrophobicContact CE1-CG 4.29Å; F49-F151 HydrophobicContact CE2-CB 4.4Å; F49-F151 HydrophobicContact CZ-CB 3.69Å; F49-F151 HydrophobicContact CZ-CD2 4.07Å; F49-F151 HydrophobicContact CZ-CG 4.4Å; F49-K154 HydrophobicContact CB-CG 3.89Å; F49-K154 HydrophobicContact CD2-CB 3.92Å; F49-K154 HydrophobicContact CD2-CG 4Å; F49-K154 HydrophobicContact CG-CB 4.46Å; F49-K154 HydrophobicContact CG-CG 4.3Å
50	K	98.4	Very high	96.8	Very high	105 Å²	105	59.1 Å²	59.1	46%	0.457	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	127.5	169.3	178.6	178.3	177.4	-178.9	0	110.1	E47 D74 V75 K76	E47-K50 HydrophobicContact CG-CB 4.2Å; E47-K50 WeakPolarHBondContact OE1-CB 3.34Å; E47-K50 VanDerWaalsContact OE1-CD 3.28Å; E47-K50 WeakPolarHBondContact OE1-CD 3.42Å; K50-D74 WeakPolarHBondContact CE-OD2 3.39Å; K50-D74 HydrophobicContact CG-CB 4.23Å; K50-D74 IonicContact NZ-OD2 3.89Å; K50-V75 WeakPolarHBondContact CA-O 3.46Å; K50-K76 HydrophobicContact CG-CG 4.35Å
51	M	98.1	Very high	96.5	Very high	32 Å²	32	63.1 Å²	63.1	16%	0.158	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	146.9	177.5	-165.5	171.8	-72.4	0	0	112.9	F49 A53 D74 V75 F142 N147 K150	F49-M51 HydrophobicContact CD1-CB 4.32Å; F49-M51 HydrophobicContact CE1-CB 3.35Å; F49-M51 HydrophobicContact CE1-CG 4.49Å; F49-M51 HydrophobicContact CE1-SD 4.48Å; F49-M51 HydrophobicContact CE2-CE 3.85Å; F49-M51 HydrophobicContact CZ-CB 3.52Å; F49-M51 HydrophobicContact CZ-CE 3.52Å; F49-M51 HydrophobicContact CZ-CG 4.27Å; F49-M51 HydrophobicContact CZ-SD 3.77Å; M51-A53 PolarHBondContact O-N 3.03Å; M51-D74 CarbonylContact O-C 3.52Å; M51-D74 WeakPolarHBondContact O-CA 3.37Å; M51-V75 PolarHBondContact N-O 2.9Å; M51-V75 VanDerWaalsContact O-CG1 3.3Å; M51-V75 WeakPolarHBondContact O-CG1 3.46Å; M51-V75 PolarHBondContact O-N 2.76Å; M51-F142 HydrophobicContact CB-CE1 4.22Å; M51-F142 HydrophobicContact CG-CD1 4.14Å; M51-F142 HydrophobicContact CG-CE1 4.19Å; M51-F142 HydrophobicContact SD-CD1 3.76Å; M51-F142 HydrophobicContact SD-CE1 3.99Å; M51-N147 HydrophobicContact CE-CB 4.34Å; M51-N147 HydrophobicContact SD-CB 3.42Å; M51-N147 WeakPolarHBondContact SD-CB 3.4Å; M51-N147 VanDerWaalsContact SD-CG 3.57Å; M51-K150 HydrophobicContact CE-CB 4.29Å; M51-K150 HydrophobicContact CE-CD 4.25Å
52	R	98.4	Very high	96	Very high	114 Å²	114	60.2 Å²	60.2	43%	0.43	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.1	172.9	-178.5	63.2	170.9	171.2	-1.4	112	T72 G73 D74 D93	R52-T72 VanDerWaalsContact CZ-CG2 3.49Å; R52-T72 VanDerWaalsContact NH2-CG2 3.27Å; R52-G73 VanDerWaalsContact NH1-N 3.1Å; R52-D74 WeakPolarHBondContact CA-OD1 2.87Å; R52-D93 IonicContact CZ-OD1 3.56Å; R52-D93 IonicContact CZ-OD2 3.66Å; R52-D93 IonicContact NH1-OD1 2.67Å; R52-D93 PolarHBondContact NH1-OD1 3.33Å; R52-D93 IonicContact NH1-OD2 2.68Å; R52-D93 PolarHBondContact NH1-OD2 3.37Å; R52-D93 IonicContact NH2-OD1 3.78Å; R52-D93 IonicContact NH2-OD2 3.93Å; R52-D93 PolarHBondContact NH2-OD2 3.07Å
53	A	98.5	Very high	95.6	Very high	5 Å²	5	67.4 Å²	67.4	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	167.7	178	0	0	0	0	0	113.3	M51 G73 V75 M90 I140 R141 F142	M51-A53 PolarHBondContact O-N 3.03Å; A53-G73 PolarHBondContact N-O 3.01Å; A53-G73 PolarHBondContact O-N 2.95Å; A53-G73 VanDerWaalsContact O-N 3.08Å; A53-G73 VanDerWaalsContact O-O 3.08Å; A53-V75 HydrophobicContact CB-CG1 4.09Å; A53-M90 HydrophobicContact CB-CE 4.26Å; A53-M90 WeakPolarHBondContact O-CE 3.38Å; A53-I140 HydrophobicContact CB-CD1 3.66Å; A53-I140 HydrophobicContact CB-CG1 3.6Å; A53-R141 WeakPolarHBondContact CA-O 3.32Å; A53-F142 HydrophobicContact CB-CD1 3.95Å; A53-F142 HydrophobicContact CB-CE1 3.71Å; A53-F142 HydrophobicContact CB-CZ 4.2Å
54	K	98.5	Very high	95.4	Very high	65 Å²	65	69.8 Å²	69.8	28%	0.283	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.3	166.6	-177.6	177.1	-79.4	-158.4	0	109.4	F56 E69 T72 I140 R141	K54-F56 HydrophobicContact CB-CE2 4.22Å; K54-F56 HydrophobicContact CD-CE1 4.09Å; K54-F56 HydrophobicContact CD-CE2 3.88Å; K54-F56 HydrophobicContact CD-CZ 3.38Å; K54-F56 HydrophobicContact CG-CD2 4.46Å; K54-F56 HydrophobicContact CG-CE2 3.71Å; K54-F56 HydrophobicContact CG-CZ 3.75Å; K54-E69 IonicContact NZ-OE1 2.81Å; K54-E69 PolarHBondContact NZ-OE1 3.2Å; K54-E69 IonicContact NZ-OE2 3.64Å; K54-T72 HydrophobicContact CB-CG2 4.43Å; K54-T72 WeakPolarHBondContact CE-OG1 3.36Å; K54-I140 CarbonylContact O-C 3.5Å; K54-I140 WeakPolarHBondContact O-CA 3.3Å; K54-R141 PolarHBondContact N-O 2.83Å; K54-R141 PolarHBondContact O-N 3.35Å
55	L	98.6	Very high	95.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.7	-179.1	-170.9	75.5	0	0	0	110.7	R70 G71 M90 C99 A100 W122 L138 A139 I140	L55-R70 HydrophobicContact CB-CB 4.47Å; L55-R70 HydrophobicContact CD2-CB 4.18Å; L55-R70 HydrophobicContact CD2-CG 3.99Å; L55-R70 HydrophobicContact CG-CB 4.23Å; L55-R70 PolarHBondContact O-N 2.94Å; L55-G71 PolarHBondContact N-O 3.05Å; L55-G71 PolarHBondContact O-N 3.41Å; L55-M90 HydrophobicContact CB-CE 4.11Å; L55-M90 HydrophobicContact CB-SD 3.68Å; L55-M90 HydrophobicContact CD2-SD 4.15Å; L55-M90 HydrophobicContact CG-SD 4.34Å; L55-C99 WeakPolarHBondContact CD2-O 3.43Å; L55-A100 HydrophobicContact CD2-CB 3.69Å; L55-W122 HydrophobicContact CD1-CH2 3.74Å; L55-W122 HydrophobicContact CD1-CZ2 4.39Å; L55-L138 HydrophobicContact CD1-CB 4.36Å; L55-A139 CarbonylContact C-O 3.58Å; L55-A139 WeakPolarHBondContact CA-O 3.49Å; L55-I140 HydrophobicContact CD1-CB 4.22Å; L55-I140 HydrophobicContact CD1-CG1 4.49Å
56	F	98	Very high	95.2	Very high	22 Å²	22	71.6 Å²	71.6	10%	0.096	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.3	177.5	-56.7	-97.9	0	0	0	109.8	K54 W67 K68 E69 L138 A139 R141	K54-F56 HydrophobicContact CB-CE2 4.22Å; K54-F56 HydrophobicContact CD-CE1 4.09Å; K54-F56 HydrophobicContact CD-CE2 3.88Å; K54-F56 HydrophobicContact CD-CZ 3.38Å; K54-F56 HydrophobicContact CG-CD2 4.46Å; K54-F56 HydrophobicContact CG-CE2 3.71Å; K54-F56 HydrophobicContact CG-CZ 3.75Å; F56-W67 HydrophobicContact CB-CE3 3.81Å; F56-W67 HydrophobicContact CB-CZ3 4.48Å; F56-K68 CarbonylContact C-O 3.5Å; F56-K68 VanDerWaalsContact CA-O 3.27Å; F56-K68 WeakPolarHBondContact CA-O 3.47Å; F56-E69 HydrophobicContact CD1-CG 4.13Å; F56-E69 HydrophobicContact CE1-CG 3.83Å; F56-L138 WeakPolarHBondContact O-CA 3.17Å; F56-A139 HydrophobicContact CB-CB 4.27Å; F56-A139 PolarHBondContact N-O 2.84Å; F56-A139 PolarHBondContact O-N 2.82Å; F56-R141 HydrophobicContact CE2-CB 4.02Å
57	R	97.3	Very high	95.1	Very high	49 Å²	49	70.8 Å²	70.8	19%	0.185	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.8	175.2	-179.9	-178.3	71.2	134.8	9.2	109	K68 R70 E136 L138	R57-K68 PolarHBondContact N-O 3.09Å; R57-K68 PolarHBondContact O-N 3.41Å; R57-R70 HydrophobicContact CB-CB 4.18Å; R57-R70 HydrophobicContact CB-CG 4.42Å; R57-E136 WeakPolarHBondContact CD-OE1 3.34Å; R57-E136 WeakPolarHBondContact CD-OE2 2.83Å; R57-E136 WeakPolarHBondContact CG-OE2 3.39Å; R57-E136 IonicContact NH1-OE1 2.7Å; R57-L138 HydrophobicContact CB-CD2 4.39Å
58	F	96.7	Very high	95	Very high	60 Å²	60	69.7 Å²	69.7	26%	0.263	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.2	172.9	-167.7	-110.9	0	0	0	110.1	P65 W67 L137	F58-P65 HydrophobicContact CE1-CB 3.88Å; F58-P65 HydrophobicContact CE2-CB 3.92Å; F58-P65 HydrophobicContact CZ-CB 3.27Å; F58-P65 HydrophobicContact CZ-CG 4.45Å; F58-W67 HydrophobicContact CB-CD2 4.46Å; F58-W67 HydrophobicContact CB-CE3 3.98Å; F58-W67 HydrophobicContact CB-CH2 3.91Å; F58-W67 HydrophobicContact CB-CZ2 4.39Å; F58-W67 HydrophobicContact CB-CZ3 3.69Å; F58-W67 HydrophobicContact CD2-CD2 4.01Å; F58-W67 AromaticContact CD2-CE2 3.8Å; F58-W67 HydrophobicContact CD2-CE3 4.38Å; F58-W67 HydrophobicContact CD2-CG 4.45Å; F58-W67 HydrophobicContact CD2-CH2 4.39Å; F58-W67 HydrophobicContact CD2-CZ2 4.02Å; F58-L137 HydrophobicContact CB-CB 3.89Å; F58-L137 HydrophobicContact CB-CD2 3.84Å; F58-L137 HydrophobicContact CB-CG 4.06Å; F58-L137 HydrophobicContact CD1-CD2 3.85Å; F58-L137 HydrophobicContact CE1-CD2 4.48Å; F58-L137 HydrophobicContact CG-CD2 3.84Å; F58-L137 PolarHBondContact N-O 2.73Å
59	A	94.4	Very high	95	Very high	2 Å²	2	74 Å²	74	2%	0.017	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	103.9	174.7	0	0	0	0	0	109.1	P65 E66 K68	A59-P65 WeakPolarHBondContact O-CA 3.37Å; A59-E66 HydrophobicContact CB-CG 4.41Å; A59-E66 PolarHBondContact N-O 3.1Å; A59-E66 PolarHBondContact O-N 3.02Å; A59-K68 HydrophobicContact CB-CD 3.8Å; A59-K68 HydrophobicContact CB-CG 4.13Å
60	S	91.4	Very high	94.9	Very high	84 Å²	84	74.7 Å²	74.7	59%	0.587	36%	0.362	S	S	*	.			trans	-97	0.8	175.4	61	0	0	0	0	113.7	N62	S60-N62 VanDerWaalsContact C-N 3.27Å
61	E	88.5	Confident	94.9	Very high	157 Å²	157	70.1 Å²	70.1	73%	0.734	34%	0.344	S	S	*	.	S	Bend	trans	-74.3	-19.9	-179.5	-64.3	161.7	-175.6	0	0	112.5
62	N	83.8	Confident	95	Very high	72 Å²	72	70.5 Å²	70.5	39%	0.385	35%	0.348	S	S	.	.	S	Bend	trans	-91.1	156	179.3	-69.4	-14.8	0	0	0	110.7	S60 L64 E66 K68	S60-N62 VanDerWaalsContact C-N 3.27Å; N62-L64 PolarHBondContact O-N 2.7Å; N62-E66 PolarHBondContact ND2-OE1 3.38Å; N62-K68 PolarHBondContact ND2-NZ 2.77Å; N62-K68 VanDerWaalsContact ND2-NZ 3.14Å
63	D	85.9	Confident	95	Very high	173 Å²	173	65 Å²	65	93%	0.925	33%	0.328	S	S	*	.	S	Bend	trans	-53.5	-29	176.2	-66.6	-37.1	0	0	0	113.3
64	L	91.2	Very high	95	Very high	139 Å²	139	67.8 Å²	67.8	73%	0.728	34%	0.342	S	S	*	.	S	Bend	trans	-115.3	108.5	175.8	-65.9	171.5	0	0	0	109.2	N62 E66	N62-L64 PolarHBondContact O-N 2.7Å; L64-E66 PolarHBondContact O-N 3.49Å
65	P	93.3	Very high	95	Very high	81 Å²	81	64.7 Å²	64.7	53%	0.526	33%	0.328	S	S	.	.			trans	-62	126.7	176.3	-22.7	32.7	0	0	0	111.4	F58 A59	F58-P65 HydrophobicContact CE1-CB 3.88Å; F58-P65 HydrophobicContact CE2-CB 3.92Å; F58-P65 HydrophobicContact CZ-CB 3.27Å; F58-P65 HydrophobicContact CZ-CG 4.45Å; A59-P65 WeakPolarHBondContact O-CA 3.37Å
66	E	95.3	Very high	95	Very high	88 Å²	88	66.7 Å²	66.7	41%	0.411	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.5	-173.5	67.3	-179.9	173.1	0	0	112.8	A59 N62 L64 K68	A59-E66 HydrophobicContact CB-CG 4.41Å; A59-E66 PolarHBondContact N-O 3.1Å; A59-E66 PolarHBondContact O-N 3.02Å; N62-E66 PolarHBondContact ND2-OE1 3.38Å; L64-E66 PolarHBondContact O-N 3.49Å; E66-K68 HydrophobicContact CG-CG 4.24Å; E66-K68 WeakPolarHBondContact OE1-CE 3.34Å; E66-K68 IonicContact OE1-NZ 3.49Å
67	W	95.8	Very high	95	Very high	88 Å²	88	65.6 Å²	65.6	33%	0.333	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.7	171.4	-72.2	103.9	0	0	0	110.2	F56 F58 V121 L137 A139	F56-W67 HydrophobicContact CB-CE3 3.81Å; F56-W67 HydrophobicContact CB-CZ3 4.48Å; F58-W67 HydrophobicContact CB-CD2 4.46Å; F58-W67 HydrophobicContact CB-CE3 3.98Å; F58-W67 HydrophobicContact CB-CH2 3.91Å; F58-W67 HydrophobicContact CB-CZ2 4.39Å; F58-W67 HydrophobicContact CB-CZ3 3.69Å; F58-W67 HydrophobicContact CD2-CD2 4.01Å; F58-W67 AromaticContact CD2-CE2 3.8Å; F58-W67 HydrophobicContact CD2-CE3 4.38Å; F58-W67 HydrophobicContact CD2-CG 4.45Å; F58-W67 HydrophobicContact CD2-CH2 4.39Å; F58-W67 HydrophobicContact CD2-CZ2 4.02Å; W67-V121 HydrophobicContact CH2-CG1 3.85Å; W67-V121 HydrophobicContact CH2-CG2 4.41Å; W67-V121 HydrophobicContact CZ2-CG1 4.18Å; W67-V121 HydrophobicContact CZ2-CG2 4.28Å; W67-L137 HydrophobicContact CH2-CD2 4.28Å; W67-L137 HydrophobicContact CH2-CG 4.04Å; W67-L137 WeakPolarHBondContact CZ3-O 3.19Å; W67-A139 HydrophobicContact CD2-CB 4.48Å; W67-A139 HydrophobicContact CE3-CB 3.96Å; W67-A139 HydrophobicContact CH2-CB 3.63Å; W67-A139 HydrophobicContact CZ2-CB 4.18Å; W67-A139 HydrophobicContact CZ3-CB 3.5Å; W67-A139 VanDerWaalsContact CZ3-CB 3.5Å
68	K	96.5	Very high	95.1	Very high	69 Å²	69	63.5 Å²	63.5	30%	0.3	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.2	173.3	-64.8	-175.9	-179.3	170.7	0	110.4	F56 R57 A59 N62 E66 R70	F56-K68 CarbonylContact C-O 3.5Å; F56-K68 VanDerWaalsContact CA-O 3.27Å; F56-K68 WeakPolarHBondContact CA-O 3.47Å; R57-K68 PolarHBondContact N-O 3.09Å; R57-K68 PolarHBondContact O-N 3.41Å; A59-K68 HydrophobicContact CB-CD 3.8Å; A59-K68 HydrophobicContact CB-CG 4.13Å; N62-K68 PolarHBondContact ND2-NZ 2.77Å; N62-K68 VanDerWaalsContact ND2-NZ 3.14Å; E66-K68 HydrophobicContact CG-CG 4.24Å; E66-K68 WeakPolarHBondContact OE1-CE 3.34Å; E66-K68 IonicContact OE1-NZ 3.49Å; K68-R70 PolarHBondContact O-N 3.45Å
69	E	97.5	Very high	95.1	Very high	127 Å²	127	62.9 Å²	62.9	59%	0.593	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	129.2	172.2	-63.3	-157.5	155.2	0	0	110	K54 F56	K54-E69 IonicContact NZ-OE1 2.81Å; K54-E69 PolarHBondContact NZ-OE1 3.2Å; K54-E69 IonicContact NZ-OE2 3.64Å; F56-E69 HydrophobicContact CD1-CG 4.13Å; F56-E69 HydrophobicContact CE1-CG 3.83Å
70	R	97.6	Very high	95.3	Very high	37 Å²	37	64.1 Å²	64.1	14%	0.14	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-37.8	-179.5	-171.1	61.6	173.9	165.9	-0.8	111.8	L55 R57 K68 R92 C99 D130	L55-R70 HydrophobicContact CB-CB 4.47Å; L55-R70 HydrophobicContact CD2-CB 4.18Å; L55-R70 HydrophobicContact CD2-CG 3.99Å; L55-R70 HydrophobicContact CG-CB 4.23Å; L55-R70 PolarHBondContact O-N 2.94Å; R57-R70 HydrophobicContact CB-CB 4.18Å; R57-R70 HydrophobicContact CB-CG 4.42Å; K68-R70 PolarHBondContact O-N 3.45Å; R70-R92 PolarHBondContact O-NE 3.36Å; R70-R92 PolarHBondContact O-NH2 3.42Å; R70-C99 HydrophobicContact CG-CB 4.35Å; R70-C99 WeakPolarHBondContact CG-O 3.3Å; R70-D130 IonicContact CZ-OD1 2.78Å; R70-D130 IonicContact CZ-OD2 3.52Å; R70-D130 IonicContact NH1-OD1 3.08Å; R70-D130 IonicContact NH1-OD2 3.33Å; R70-D130 IonicContact NH2-OD1 2.61Å; R70-D130 PolarHBondContact NH2-OD1 3.2Å; R70-D130 IonicContact NH2-OD2 2.76Å; R70-D130 PolarHBondContact NH2-OD2 3.37Å
71	G	98.1	Very high	95.5	Very high	9 Å²	9	66.5 Å²	66.5	9%	0.093	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	156.3	177.8	0	0	0	0	0	113.4	L55	L55-G71 PolarHBondContact N-O 3.05Å; L55-G71 PolarHBondContact O-N 3.41Å
72	T	98.6	Very high	95.8	Very high	39 Å²	39	67.2 Å²	67.2	24%	0.239	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	167.9	-51.7	0	0	0	0	107.4	R52 K54 R92 D93	R52-T72 VanDerWaalsContact CZ-CG2 3.49Å; R52-T72 VanDerWaalsContact NH2-CG2 3.27Å; K54-T72 HydrophobicContact CB-CG2 4.43Å; K54-T72 WeakPolarHBondContact CE-OG1 3.36Å; T72-R92 WeakPolarHBondContact O-CA 3.46Å; T72-D93 PolarHBondContact O-N 3.47Å
73	G	98.6	Very high	96.3	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-175.2	-165.5	0	0	0	0	0	113.3	R52 A53 M90 R91	R52-G73 VanDerWaalsContact NH1-N 3.1Å; A53-G73 PolarHBondContact N-O 3.01Å; A53-G73 PolarHBondContact O-N 2.95Å; A53-G73 VanDerWaalsContact O-N 3.08Å; A53-G73 VanDerWaalsContact O-O 3.08Å; G73-M90 WeakPolarHBondContact O-CE 3.42Å; G73-R91 VanDerWaalsContact CA-O 3.23Å; G73-R91 WeakPolarHBondContact CA-O 3.4Å
74	D	98.5	Very high	96.7	Very high	63 Å²	63	62.3 Å²	62.3	34%	0.337	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.6	167	-70.7	-18	0	0	0	109.4	K50 M51 R52 M90	K50-D74 WeakPolarHBondContact CE-OD2 3.39Å; K50-D74 HydrophobicContact CG-CB 4.23Å; K50-D74 IonicContact NZ-OD2 3.89Å; M51-D74 CarbonylContact O-C 3.52Å; M51-D74 WeakPolarHBondContact O-CA 3.37Å; R52-D74 WeakPolarHBondContact CA-OD1 2.87Å; D74-M90 WeakPolarHBondContact O-CG 3.41Å
75	V	98.7	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.2	167.1	61.9	0	0	0	0	109	F49 K50 M51 A53 L88 M90 I140 F142 F151	F49-V75 HydrophobicContact CE1-CG1 4.19Å; K50-V75 WeakPolarHBondContact CA-O 3.46Å; M51-V75 PolarHBondContact N-O 2.9Å; M51-V75 VanDerWaalsContact O-CG1 3.3Å; M51-V75 WeakPolarHBondContact O-CG1 3.46Å; M51-V75 PolarHBondContact O-N 2.76Å; A53-V75 HydrophobicContact CB-CG1 4.09Å; V75-L88 HydrophobicContact CG2-CD1 4.03Å; V75-L88 HydrophobicContact CG2-CD2 3.94Å; V75-L88 HydrophobicContact CG2-CG 3.83Å; V75-M90 HydrophobicContact CB-CG 4.25Å; V75-M90 HydrophobicContact CB-SD 4.22Å; V75-I140 HydrophobicContact CB-CD1 3.88Å; V75-I140 HydrophobicContact CG1-CD1 3.72Å; V75-I140 HydrophobicContact CG2-CD1 3.97Å; V75-F142 HydrophobicContact CG1-CE1 3.97Å; V75-F142 HydrophobicContact CG1-CZ 4.09Å; V75-F151 HydrophobicContact CG1-CD2 4.39Å; V75-F151 HydrophobicContact CG1-CE2 4.35Å; V75-F151 HydrophobicContact CG2-CE2 4.12Å
76	K	98.7	Very high	97.2	Very high	41 Å²	41	53.1 Å²	53.1	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.9	176.4	-58.6	-176.2	-176.3	-176	0	111.4	E42 E47 F49 K50 L78 L88 L89	E42-K76 IonicContact OE2-NZ 3.52Å; E42-K76 PolarHBondContact OE2-NZ 3.42Å; E47-K76 WeakPolarHBondContact OE2-CD 3.48Å; E47-K76 VanDerWaalsContact OE2-CE 3.3Å; E47-K76 WeakPolarHBondContact OE2-CE 3.4Å; E47-K76 IonicContact OE2-NZ 2.62Å; F49-K76 WeakPolarHBondContact O-CA 3.24Å; K50-K76 HydrophobicContact CG-CG 4.35Å; K76-L78 HydrophobicContact CB-CD2 3.99Å; K76-L78 HydrophobicContact CB-CG 4.04Å; K76-L78 HydrophobicContact CD-CD1 4.5Å; K76-L78 HydrophobicContact CD-CD2 4.06Å; K76-L88 WeakPolarHBondContact O-CA 3.4Å; K76-L89 PolarHBondContact N-O 2.79Å; K76-L89 PolarHBondContact O-N 3.49Å
77	L	98.7	Very high	97.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.7	161.2	-62	-176.8	0	0	0	107.7	L48 F49 R87 L88 I104 F151 K154 F155	L48-L77 HydrophobicContact CB-CB 4.28Å; L48-L77 PolarHBondContact N-O 2.92Å; F49-L77 HydrophobicContact CB-CB 3.93Å; F49-L77 HydrophobicContact CB-CD1 4.09Å; F49-L77 HydrophobicContact CB-CG 3.98Å; F49-L77 PolarHBondContact O-N 3.16Å; L77-R87 WeakPolarHBondContact CA-O 3.4Å; L77-L88 HydrophobicContact CD2-CB 4.03Å; L77-L88 HydrophobicContact CD2-CD1 4.24Å; L77-L88 HydrophobicContact CD2-CG 4.17Å; L77-I104 HydrophobicContact CD2-CD1 3.78Å; L77-F151 HydrophobicContact CD2-CE2 4.43Å; L77-K154 HydrophobicContact CD1-CB 4.44Å; L77-K154 HydrophobicContact CD1-CG 4.2Å; L77-F155 HydrophobicContact CD1-CB 4.36Å; L77-F155 HydrophobicContact CD2-CD2 4.32Å
78	L	98.6	Very high	97.4	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.5	-172.7	-60.7	-179	0	0	0	109.7	E42 E45 E46 E47 K76 I86 R87 L89	E42-L78 HydrophobicContact CB-CD1 4.41Å; E42-L78 HydrophobicContact CG-CD1 4.02Å; E45-L78 HydrophobicContact CB-CB 4.05Å; E45-L78 VanDerWaalsContact OE2-CD1 3.22Å; E45-L78 WeakPolarHBondContact OE2-CD1 3.19Å; E46-L78 CarbonylContact O-C 3.55Å; E46-L78 WeakPolarHBondContact O-CA 3.48Å; E47-L78 HydrophobicContact CB-CD2 4.02Å; E47-L78 HydrophobicContact CG-CD2 4.17Å; K76-L78 HydrophobicContact CB-CD2 3.99Å; K76-L78 HydrophobicContact CB-CG 4.04Å; K76-L78 HydrophobicContact CD-CD1 4.5Å; K76-L78 HydrophobicContact CD-CD2 4.06Å; L78-I86 CarbonylContact O-C 3.59Å; L78-I86 VanDerWaalsContact O-CA 3.24Å; L78-I86 WeakPolarHBondContact O-CA 3.5Å; L78-I86 WeakPolarHBondContact O-CG2 3.4Å; L78-R87 HydrophobicContact CB-CG 4.13Å; L78-R87 PolarHBondContact N-O 3.08Å; L78-R87 PolarHBondContact O-N 3.17Å; L78-L89 HydrophobicContact CD1-CB 3.95Å; L78-L89 HydrophobicContact CD1-CD2 3.67Å; L78-L89 HydrophobicContact CD1-CG 4.47Å
79	K	98.3	Very high	97.6	Very high	47 Å²	47	43.3 Å²	43.3	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.1	176.7	175.5	177	170	-178.1	0	110.7	E45 E46 L48 K81 A85 I86 E161	E45-K79 CarbonylContact C-O 3.54Å; E45-K79 VanDerWaalsContact CA-O 3.27Å; E45-K79 WeakPolarHBondContact CA-O 3.28Å; E46-K79 PolarHBondContact N-O 2.92Å; E46-K79 PolarHBondContact O-N 3.07Å; L48-K79 HydrophobicContact CD1-CB 3.74Å; L48-K79 HydrophobicContact CD1-CD 4.33Å; L48-K79 HydrophobicContact CD2-CB 4.28Å; L48-K79 HydrophobicContact CG-CB 4Å; K79-K81 PolarHBondContact O-N 3.46Å; K79-A85 CarbonylContact C-O 3.55Å; K79-A85 WeakPolarHBondContact CA-O 3.47Å; K79-I86 HydrophobicContact CB-CG1 4.01Å; K79-I86 HydrophobicContact CD-CD1 4.37Å; K79-I86 HydrophobicContact CD-CG1 4.35Å; K79-I86 HydrophobicContact CG-CG1 4Å; K79-E161 WeakPolarHBondContact CE-OE1 3.28Å; K79-E161 IonicContact NZ-OE1 2.65Å; K79-E161 PolarHBondContact NZ-OE1 3.42Å; K79-E161 IonicContact NZ-OE2 3.23Å
80	H	97.8	Very high	97.6	Very high	28 Å²	28	37.3 Å²	37.3	13%	0.13	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.7	175.7	-167.9	-55.8	0	0	0	111	E45 E82 K83 G84 A85	E45-H80 HydrophobicContact CG-CB 4.46Å; H80-E82 PolarHBondContact ND1-N 3.41Å; H80-E82 PolarHBondContact O-N 3.48Å; H80-K83 HydrophobicContact CB-CB 4.11Å; H80-K83 PolarHBondContact ND1-N 3.31Å; H80-K83 VanDerWaalsContact ND1-N 3.15Å; H80-G84 VanDerWaalsContact O-CA 3.23Å; H80-G84 WeakPolarHBondContact O-CA 3.41Å; H80-G84 PolarHBondContact O-N 3.11Å; H80-A85 PolarHBondContact N-O 2.95Å
81	K	96.4	Very high	97.7	Very high	135 Å²	135	39.1 Å²	39.1	59%	0.587	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-49.1	-173.7	-68.5	164.6	-174.5	164.5	0	112.7	E43 D44 K79	E43-K81 PolarHBondContact O-NZ 3Å; D44-K81 WeakPolarHBondContact O-CB 3.19Å; D44-K81 VanDerWaalsContact O-CG 3.28Å; D44-K81 WeakPolarHBondContact O-CG 3.31Å; D44-K81 PolarHBondContact O-N 3.24Å; K79-K81 PolarHBondContact O-N 3.46Å
82	E	95	Very high	97.7	Very high	172 Å²	172	41.5 Å²	41.5	80%	0.804	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-50	-180	-54.9	-177.7	161.3	0	0	113.2	H80 G84	H80-E82 PolarHBondContact ND1-N 3.41Å; H80-E82 PolarHBondContact O-N 3.48Å; E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 3.3Å
83	K	93.6	Very high	97.6	Very high	128 Å²	128	42.9 Å²	42.9	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.8	-173.3	-65.6	177.2	-172.7	161.9	0	113.2	H80 A85 R165	H80-K83 HydrophobicContact CB-CB 4.11Å; H80-K83 PolarHBondContact ND1-N 3.31Å; H80-K83 VanDerWaalsContact ND1-N 3.15Å; K83-A85 PolarHBondContact O-N 3.04Å; K83-R165 PolarHBondContact O-NH1 2.85Å; K83-R165 PolarHBondContact O-NH2 2.97Å
84	G	94.2	Very high	97.5	Very high	13 Å²	13	52.9 Å²	52.9	13%	0.134	24%	0.243	C	C	.	.			trans	56.2	14.2	-178.1	0	0	0	0	0	115.4	H80 E82 R165	H80-G84 VanDerWaalsContact O-CA 3.23Å; H80-G84 WeakPolarHBondContact O-CA 3.41Å; H80-G84 PolarHBondContact O-N 3.11Å; E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 3.3Å; G84-R165 PolarHBondContact O-NH1 3.45Å; G84-R165 VanDerWaalsContact O-NH1 3.12Å
85	A	96.1	Very high	97.4	Very high	26 Å²	26	53.9 Å²	53.9	22%	0.215	25%	0.252	C	S	.	.			trans	-77.9	139.2	177.2	0	0	0	0	0	108.9	K79 H80 K83 Y103	K79-A85 CarbonylContact C-O 3.55Å; K79-A85 WeakPolarHBondContact CA-O 3.47Å; H80-A85 PolarHBondContact N-O 2.95Å; K83-A85 PolarHBondContact O-N 3.04Å; A85-Y103 HydrophobicContact CB-CD1 4.19Å; A85-Y103 HydrophobicContact CB-CE1 3.82Å
86	I	98.2	Very high	97.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.4	-179.2	-50.7	-179.6	0	0	0	109.4	L48 L78 K79 Y103 I104 C158 I162	L48-I86 HydrophobicContact CD1-CD1 4.15Å; L48-I86 HydrophobicContact CD1-CG2 4.29Å; L78-I86 CarbonylContact O-C 3.59Å; L78-I86 VanDerWaalsContact O-CA 3.24Å; L78-I86 WeakPolarHBondContact O-CA 3.5Å; L78-I86 WeakPolarHBondContact O-CG2 3.4Å; K79-I86 HydrophobicContact CB-CG1 4.01Å; K79-I86 HydrophobicContact CD-CD1 4.37Å; K79-I86 HydrophobicContact CD-CG1 4.35Å; K79-I86 HydrophobicContact CG-CG1 4Å; I86-Y103 WeakPolarHBondContact O-CA 3.43Å; I86-I104 HydrophobicContact CG2-CD1 4.09Å; I86-I104 PolarHBondContact O-N 3.28Å; I86-C158 HydrophobicContact CD1-CB 3.83Å; I86-C158 HydrophobicContact CG2-CB 4.03Å; I86-I162 HydrophobicContact CB-CD1 3.81Å; I86-I162 HydrophobicContact CB-CG1 4.36Å; I86-I162 HydrophobicContact CD1-CD1 4.29Å; I86-I162 HydrophobicContact CD1-CG1 4.12Å; I86-I162 HydrophobicContact CG1-CD1 4.21Å; I86-I162 HydrophobicContact CG1-CG1 4.21Å
87	R	98.4	Very high	97.2	Very high	35 Å²	35	64.4 Å²	64.4	13%	0.132	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.1	177.4	65.9	175.6	178.6	170.1	-3.2	112.5	L41 E45 L77 L78 N101 H102 Y103	L41-R87 PolarHBondContact O-NH2 3.49Å; E45-R87 VanDerWaalsContact CD-NE 3.3Å; E45-R87 IonicContact OE1-CZ 3.82Å; E45-R87 IonicContact OE1-NE 2.78Å; E45-R87 PolarHBondContact OE1-NE 2.8Å; E45-R87 IonicContact OE1-NH2 3.67Å; E45-R87 IonicContact OE2-CZ 3.76Å; E45-R87 VanDerWaalsContact OE2-CZ 3.23Å; E45-R87 IonicContact OE2-NE 3.83Å; E45-R87 PolarHBondContact OE2-NE 3.12Å; E45-R87 IonicContact OE2-NH2 2.91Å; E45-R87 PolarHBondContact OE2-NH2 3.05Å; L77-R87 WeakPolarHBondContact CA-O 3.4Å; L78-R87 HydrophobicContact CB-CG 4.13Å; L78-R87 PolarHBondContact N-O 3.08Å; L78-R87 PolarHBondContact O-N 3.17Å; R87-N101 PolarHBondContact NH1-OD1 2.87Å; R87-H102 CarbonylContact C-O 3.58Å; R87-H102 VanDerWaalsContact CA-O 3.29Å; R87-H102 WeakPolarHBondContact CA-O 3.43Å; R87-H102 WeakPolarHBondContact CB-O 3.42Å; R87-Y103 HydrophobicContact CB-CD1 3.88Å; R87-Y103 HydrophobicContact CB-CE1 4.23Å
88	L	98.6	Very high	97.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.4	166.3	-173.8	153.8	0	0	0	108.4	V75 K76 L77 A100 N101 H102 W122 F151 F155	V75-L88 HydrophobicContact CG2-CD1 4.03Å; V75-L88 HydrophobicContact CG2-CD2 3.94Å; V75-L88 HydrophobicContact CG2-CG 3.83Å; K76-L88 WeakPolarHBondContact O-CA 3.4Å; L77-L88 HydrophobicContact CD2-CB 4.03Å; L77-L88 HydrophobicContact CD2-CD1 4.24Å; L77-L88 HydrophobicContact CD2-CG 4.17Å; L88-A100 HydrophobicContact CD2-CB 3.68Å; L88-N101 VanDerWaalsContact O-CA 3.3Å; L88-N101 WeakPolarHBondContact O-CA 3.31Å; L88-H102 PolarHBondContact N-O 2.86Å; L88-H102 PolarHBondContact O-N 2.99Å; L88-H102 VanDerWaalsContact O-N 3.13Å; L88-W122 HydrophobicContact CD1-CH2 4.33Å; L88-W122 HydrophobicContact CD1-CZ2 3.79Å; L88-F151 HydrophobicContact CD1-CE2 4.31Å; L88-F151 HydrophobicContact CD1-CZ 3.94Å; L88-F155 HydrophobicContact CD1-CE2 4.37Å
89	L	98.7	Very high	97.2	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.1	175.9	-175.7	67.6	0	0	0	109.9	E42 K76 L78 I98 A100 N101	E42-L89 HydrophobicContact CG-CD2 3.71Å; E42-L89 WeakPolarHBondContact OE1-CD2 3.17Å; K76-L89 PolarHBondContact N-O 2.79Å; K76-L89 PolarHBondContact O-N 3.49Å; L78-L89 HydrophobicContact CD1-CB 3.95Å; L78-L89 HydrophobicContact CD1-CD2 3.67Å; L78-L89 HydrophobicContact CD1-CG 4.47Å; L89-I98 HydrophobicContact CD1-CD1 4.19Å; L89-I98 HydrophobicContact CD1-CG1 4.33Å; L89-I98 HydrophobicContact CD1-CG2 4.05Å; L89-A100 WeakPolarHBondContact CA-O 3.37Å; L89-N101 HydrophobicContact CD1-CB 3.88Å
90	M	98.7	Very high	97.2	Very high	1 Å²	1	64 Å²	64	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134.8	176.3	-168.1	179.6	176.4	0	0	110.4	A53 L55 G73 D74 V75 I98 C99 A100	A53-M90 HydrophobicContact CB-CE 4.26Å; A53-M90 WeakPolarHBondContact O-CE 3.38Å; L55-M90 HydrophobicContact CB-CE 4.11Å; L55-M90 HydrophobicContact CB-SD 3.68Å; L55-M90 HydrophobicContact CD2-SD 4.15Å; L55-M90 HydrophobicContact CG-SD 4.34Å; G73-M90 WeakPolarHBondContact O-CE 3.42Å; D74-M90 WeakPolarHBondContact O-CG 3.41Å; V75-M90 HydrophobicContact CB-CG 4.25Å; V75-M90 HydrophobicContact CB-SD 4.22Å; M90-I98 WeakPolarHBondContact O-CA 3.45Å; M90-C99 VanDerWaalsContact CG-SG 3.53Å; M90-C99 PolarHBondContact O-N 3.47Å; M90-C99 PolarHBondContact O-SG 2.89Å; M90-C99 VanDerWaalsContact O-SG 3.42Å; M90-A100 HydrophobicContact CB-CB 4.16Å; M90-A100 PolarHBondContact N-O 2.78Å; M90-A100 PolarHBondContact O-N 3.25Å
91	R	98.5	Very high	97.2	Very high	75 Å²	75	63.8 Å²	63.8	28%	0.283	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.5	178.3	-64.9	176.7	-175.9	-87.8	2.6	110.5	T40 E42 G73 K97 I98	T40-R91 PolarHBondContact O-NH2 3.34Å; E42-R91 IonicContact OE1-CZ 3.75Å; E42-R91 IonicContact OE1-NE 2.8Å; E42-R91 PolarHBondContact OE1-NE 3.07Å; E42-R91 IonicContact OE1-NH2 2.76Å; E42-R91 PolarHBondContact OE1-NH2 3.24Å; G73-R91 VanDerWaalsContact CA-O 3.23Å; G73-R91 WeakPolarHBondContact CA-O 3.4Å; R91-K97 CarbonylContact C-O 3.58Å; R91-K97 WeakPolarHBondContact CA-O 3.49Å; R91-I98 HydrophobicContact CG-CG1 4.25Å
92	R	98.2	Very high	97.3	Very high	59 Å²	59	57.6 Å²	57.6	22%	0.223	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	145.6	177.3	-62.2	-177	-174.2	83.3	-0.5	111.2	R70 T72 T95 L96 K97 I98 C99	R70-R92 PolarHBondContact O-NE 3.36Å; R70-R92 PolarHBondContact O-NH2 3.42Å; T72-R92 WeakPolarHBondContact O-CA 3.46Å; R92-T95 WeakPolarHBondContact CB-OG1 3.18Å; R92-L96 VanDerWaalsContact O-CA 3.27Å; R92-L96 WeakPolarHBondContact O-CA 3.16Å; R92-L96 PolarHBondContact O-N 3.27Å; R92-K97 PolarHBondContact N-O 3.34Å; R92-I98 PolarHBondContact NH1-O 3.14Å; R92-C99 HydrophobicContact CG-CB 3.86Å; R92-C99 VanDerWaalsContact CZ-CB 3.48Å
93	D	97.4	Very high	97.5	Very high	68 Å²	68	55.9 Å²	55.9	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	154.2	169.3	-56.4	-34.1	0	0	0	112.1	R52 T72 T95	R52-D93 IonicContact CZ-OD1 3.56Å; R52-D93 IonicContact CZ-OD2 3.66Å; R52-D93 IonicContact NH1-OD1 2.67Å; R52-D93 PolarHBondContact NH1-OD1 3.33Å; R52-D93 IonicContact NH1-OD2 2.68Å; R52-D93 PolarHBondContact NH1-OD2 3.37Å; R52-D93 IonicContact NH2-OD1 3.78Å; R52-D93 IonicContact NH2-OD2 3.93Å; R52-D93 PolarHBondContact NH2-OD2 3.07Å; T72-D93 PolarHBondContact O-N 3.47Å; D93-T95 PolarHBondContact O-N 2.83Å
94	K	96	Very high	97.7	Very high	210 Å²	210	50 Å²	50	91%	0.913	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	-49.7	176.1	-54	-178.6	178.2	-176.7	0	114.1
95	T	96.6	Very high	97.8	Very high	84 Å²	84	51.8 Å²	51.8	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.7	-179.5	66.5	0	0	0	0	113.4	R92 D93 K97	R92-T95 WeakPolarHBondContact CB-OG1 3.18Å; D93-T95 PolarHBondContact O-N 2.83Å; T95-K97 PolarHBondContact O-N 2.97Å
96	L	95.4	Very high	97.7	Very high	120 Å²	120	51.3 Å²	51.3	63%	0.628	24%	0.24	S	C	*	.			trans	56.7	8.5	-177.9	-54	178	0	0	0	115.1	R92	R92-L96 VanDerWaalsContact O-CA 3.27Å; R92-L96 WeakPolarHBondContact O-CA 3.16Å; R92-L96 PolarHBondContact O-N 3.27Å
97	K	97.9	Very high	97.5	Very high	142 Å²	142	59.1 Å²	59.1	62%	0.617	28%	0.279	S	S	*	.			trans	-67.6	139.5	177.1	-68	-170.5	177.6	-172.3	0	110.6	R91 R92 T95	R91-K97 CarbonylContact C-O 3.58Å; R91-K97 WeakPolarHBondContact CA-O 3.49Å; R92-K97 PolarHBondContact N-O 3.34Å; T95-K97 PolarHBondContact O-N 2.97Å
98	I	98.2	Very high	97.4	Very high	44 Å²	44	57.9 Å²	57.9	23%	0.226	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135.9	174.1	-61.1	175.3	0	0	0	109.4	L89 M90 R91 R92 A100 N101 A129	L89-I98 HydrophobicContact CD1-CD1 4.19Å; L89-I98 HydrophobicContact CD1-CG1 4.33Å; L89-I98 HydrophobicContact CD1-CG2 4.05Å; M90-I98 WeakPolarHBondContact O-CA 3.45Å; R91-I98 HydrophobicContact CG-CG1 4.25Å; R92-I98 PolarHBondContact NH1-O 3.14Å; I98-A100 WeakPolarHBondContact CG2-O 3.44Å; I98-N101 HydrophobicContact CG2-CB 3.74Å; I98-A129 HydrophobicContact CG2-CB 3.97Å
99	C	98.3	Very high	97.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-12.4	175	63.6	0	0	0	0	114.1	L55 R70 M90 R92	L55-C99 WeakPolarHBondContact CD2-O 3.43Å; R70-C99 HydrophobicContact CG-CB 4.35Å; R70-C99 WeakPolarHBondContact CG-O 3.3Å; M90-C99 VanDerWaalsContact CG-SG 3.53Å; M90-C99 PolarHBondContact O-N 3.47Å; M90-C99 PolarHBondContact O-SG 2.89Å; M90-C99 VanDerWaalsContact O-SG 3.42Å; R92-C99 HydrophobicContact CG-CB 3.86Å; R92-C99 VanDerWaalsContact CZ-CB 3.48Å
100	A	98.7	Very high	97.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	138.7	164.2	0	0	0	0	0	109.2	L55 L88 L89 M90 I98 D127	L55-A100 HydrophobicContact CD2-CB 3.69Å; L88-A100 HydrophobicContact CD2-CB 3.68Å; L89-A100 WeakPolarHBondContact CA-O 3.37Å; M90-A100 HydrophobicContact CB-CB 4.16Å; M90-A100 PolarHBondContact N-O 2.78Å; M90-A100 PolarHBondContact O-N 3.25Å; I98-A100 WeakPolarHBondContact CG2-O 3.44Å; A100-D127 WeakPolarHBondContact CA-OD1 3.24Å
101	N	98.6	Very high	97.1	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	96.6	174.7	178.4	21.9	0	0	0	109.1	R87 L88 L89 I98 D127 F128	R87-N101 PolarHBondContact NH1-OD1 2.87Å; L88-N101 VanDerWaalsContact O-CA 3.3Å; L88-N101 WeakPolarHBondContact O-CA 3.31Å; L89-N101 HydrophobicContact CD1-CB 3.88Å; I98-N101 HydrophobicContact CG2-CB 3.74Å; N101-D127 PolarHBondContact N-OD1 2.67Å; N101-F128 HydrophobicContact CB-CB 4.45Å; N101-F128 WeakPolarHBondContact O-CB 3.23Å; N101-F128 PolarHBondContact O-N 3.16Å
102	H	98.7	Very high	96.9	Very high	5 Å²	5	69.2 Å²	69.2	2%	0.023	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.3	178.3	49.1	-91.7	0	0	0	111.6	R87 L88 W122 T124 D127 L138	R87-H102 CarbonylContact C-O 3.58Å; R87-H102 VanDerWaalsContact CA-O 3.29Å; R87-H102 WeakPolarHBondContact CA-O 3.43Å; R87-H102 WeakPolarHBondContact CB-O 3.42Å; L88-H102 PolarHBondContact N-O 2.86Å; L88-H102 PolarHBondContact O-N 2.99Å; L88-H102 VanDerWaalsContact O-N 3.13Å; H102-W122 AromaticContact CE1-NE1 3.65Å; H102-W122 AromaticContact NE2-CE2 3.8Å; H102-W122 AromaticContact NE2-CZ2 3.96Å; H102-W122 AromaticContact NE2-NE1 3.03Å; H102-W122 PolarHBondContact NE2-NE1 2.86Å; H102-T124 WeakPolarHBondContact CB-OG1 3.29Å; H102-D127 IonicContact CE1-OD1 3.57Å; H102-D127 IonicContact CG-OD1 2.87Å; H102-D127 IonicContact ND1-OD1 3.8Å; H102-D127 PolarHBondContact ND1-OD1 3.28Å; H102-L138 VanDerWaalsContact CE1-CD1 3.48Å; H102-L138 WeakPolarHBondContact CE1-CD1 3.42Å
103	Y	98.2	Very high	96.5	Very high	136 Å²	136	68.5 Å²	68.5	53%	0.533	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	145.2	171.4	-68.1	-68.6	0	0	0	111.5	A85 I86 R87 M108	A85-Y103 HydrophobicContact CB-CD1 4.19Å; A85-Y103 HydrophobicContact CB-CE1 3.82Å; I86-Y103 WeakPolarHBondContact O-CA 3.43Å; R87-Y103 HydrophobicContact CB-CD1 3.88Å; R87-Y103 HydrophobicContact CB-CE1 4.23Å; Y103-M108 WeakPolarHBondContact O-CE 3.31Å
104	I	98	Very high	95.8	Very high	6 Å²	6	70.2 Å²	70.2	3%	0.031	36%	0.361	C	S	.	.			trans	-75.7	131.5	164.3	-63.2	-178	0	0	0	107.4	L77 I86 F155 C158 R159 I162	L77-I104 HydrophobicContact CD2-CD1 3.78Å; I86-I104 HydrophobicContact CG2-CD1 4.09Å; I86-I104 PolarHBondContact O-N 3.28Å; I104-F155 HydrophobicContact CD1-CD2 3.73Å; I104-F155 HydrophobicContact CD1-CE2 3.64Å; I104-F155 HydrophobicContact CD1-CG 4.33Å; I104-F155 HydrophobicContact CD1-CZ 4.16Å; I104-F155 HydrophobicContact CG1-CD2 4.4Å; I104-F155 HydrophobicContact CG1-CE2 3.79Å; I104-F155 HydrophobicContact CG1-CZ 4.07Å; I104-F155 HydrophobicContact CG2-CE1 4.27Å; I104-F155 HydrophobicContact CG2-CZ 4.07Å; I104-C158 HydrophobicContact CD1-CB 3.94Å; I104-R159 HydrophobicContact CG2-CB 4Å; I104-R159 HydrophobicContact CG2-CG 4.47Å; I104-I162 HydrophobicContact CB-CD1 3.63Å; I104-I162 HydrophobicContact CG2-CD1 3.72Å; I104-I162 WeakPolarHBondContact O-CD1 3.11Å
105	T	96.2	Very high	95.2	Very high	49 Å²	49	64.6 Å²	64.6	30%	0.301	36%	0.362	S	S	.	.			trans	-115.4	156	175.4	70.4	0	0	0	0	110.9	M107 M108	T105-M107 PolarHBondContact O-N 3.11Å; T105-M107 VanDerWaalsContact O-N 3.1Å; T105-M108 HydrophobicContact CG2-CE 4.24Å; T105-M108 WeakPolarHBondContact O-CB 3.38Å; T105-M108 PolarHBondContact O-N 3.09Å; T105-M108 WeakPolarHBondContact OG1-CG 3.45Å
106	P	94.7	Very high	95	Very high	17 Å²	17	62.3 Å²	62.3	11%	0.11	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19	179.4	-29.4	40.1	0	0	0	114.4	R159 I162 E163 E166	P106-R159 PolarHBondContact O-NE 2.84Å; P106-R159 PolarHBondContact O-NH2 3.3Å; P106-I162 HydrophobicContact CG-CG2 3.84Å; P106-E163 HydrophobicContact CB-CB 4.06Å; P106-E163 HydrophobicContact CB-CG 4.21Å; P106-E163 HydrophobicContact CG-CB 4.25Å; P106-E166 WeakPolarHBondContact CG-OE2 3.3Å
107	M	93.7	Very high	94.9	Very high	164 Å²	164	61.2 Å²	61.2	81%	0.808	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.5	178.5	-58.6	-148.2	-76.1	0	0	113.5	T105	T105-M107 PolarHBondContact O-N 3.11Å; T105-M107 VanDerWaalsContact O-N 3.1Å
108	M	96.8	Very high	94.8	Very high	9 Å²	9	58.7 Å²	58.7	4%	0.044	33%	0.331	C	S	.	.			trans	-71.7	139.2	176.2	-73	-179.4	-178.4	0	0	111.9	Y103 T105 F155 R159	Y103-M108 WeakPolarHBondContact O-CE 3.31Å; T105-M108 HydrophobicContact CG2-CE 4.24Å; T105-M108 WeakPolarHBondContact O-CB 3.38Å; T105-M108 PolarHBondContact O-N 3.09Å; T105-M108 WeakPolarHBondContact OG1-CG 3.45Å; M108-F155 HydrophobicContact CB-CE1 4.17Å; M108-F155 HydrophobicContact CB-CZ 4.12Å; M108-F155 HydrophobicContact SD-CZ 4.13Å; M108-R159 VanDerWaalsContact O-CD 3.3Å; M108-R159 WeakPolarHBondContact O-CD 3.44Å; M108-R159 PolarHBondContact O-NE 2.97Å; M108-R159 VanDerWaalsContact O-NE 3.08Å
109	E	95.2	Very high	94.8	Very high	110 Å²	110	56.7 Å²	56.7	51%	0.514	32%	0.321	S	S	.	.			trans	-137.2	133.3	176.4	-174.7	-172.4	-174.9	0	0	109.6	K111 W122	E109-K111 HydrophobicContact CG-CG 4.28Å; E109-K111 PolarHBondContact O-N 3.33Å; E109-K111 WeakPolarHBondContact OE2-CE 3.48Å; E109-K111 IonicContact OE2-NZ 2.72Å; E109-W122 WeakPolarHBondContact O-CB 3.27Å
110	L	97.2	Very high	94.8	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	32%	0.323	C	S	.	.			trans	-86.2	106.5	172.9	-67.9	178.8	0	0	0	110.1	W120 W122 F151 K152 F155	L110-W120 HydrophobicContact CB-CB 4.12Å; L110-W120 HydrophobicContact CB-CD2 4.42Å; L110-W120 HydrophobicContact CB-CE3 4.46Å; L110-W120 HydrophobicContact CB-CG 4.27Å; L110-W120 HydrophobicContact CD1-CG 4.44Å; L110-W120 HydrophobicContact CD2-CB 3.94Å; L110-W120 HydrophobicContact CG-CB 4.45Å; L110-W122 HydrophobicContact CD2-CB 4.08Å; L110-W122 HydrophobicContact CD2-CD2 3.99Å; L110-W122 HydrophobicContact CD2-CE3 3.7Å; L110-W122 HydrophobicContact CD2-CG 4.18Å; L110-W122 HydrophobicContact CD2-CZ3 4.48Å; L110-F151 HydrophobicContact CD1-CD1 3.98Å; L110-F151 HydrophobicContact CD1-CE1 3.68Å; L110-F151 HydrophobicContact CD2-CE1 4.06Å; L110-K152 HydrophobicContact CD1-CB 4.11Å; L110-K152 HydrophobicContact CD1-CG 4.12Å; L110-F155 HydrophobicContact CD1-CB 3.6Å; L110-F155 HydrophobicContact CD1-CD1 3.71Å; L110-F155 HydrophobicContact CD1-CD2 4.24Å; L110-F155 HydrophobicContact CD1-CE1 4.46Å; L110-F155 HydrophobicContact CD1-CG 3.59Å; L110-F155 HydrophobicContact CD2-CD1 4.4Å; L110-F155 HydrophobicContact CD2-CE1 4.39Å; L110-F155 HydrophobicContact CD2-CG 4.49Å; L110-F155 HydrophobicContact CD2-CZ 4.45Å; L110-F155 HydrophobicContact CG-CD1 3.74Å; L110-F155 HydrophobicContact CG-CE1 4.03Å; L110-F155 HydrophobicContact CG-CG 4.05Å
111	K	96.1	Very high	94.8	Very high	117 Å²	117	58.2 Å²	58.2	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.8	177.7	-64.6	-177.5	179.8	179.6	0	110.9	E109 N113 W120 V121	E109-K111 HydrophobicContact CG-CG 4.28Å; E109-K111 PolarHBondContact O-N 3.33Å; E109-K111 WeakPolarHBondContact OE2-CE 3.48Å; E109-K111 IonicContact OE2-NZ 2.72Å; K111-N113 PolarHBondContact O-N 3.19Å; K111-W120 CarbonylContact O-C 3.51Å; K111-W120 WeakPolarHBondContact O-CA 3.44Å; K111-V121 PolarHBondContact N-O 3.44Å; K111-V121 PolarHBondContact O-N 2.83Å
112	P	95.5	Very high	94.7	Very high	87 Å²	87	57.4 Å²	57.4	57%	0.565	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	138.2	175.8	23.6	-30.2	0	0	0	110.5	W120	P112-W120 HydrophobicContact CB-CE3 4.22Å; P112-W120 HydrophobicContact CB-CZ3 3.8Å; P112-W120 HydrophobicContact CG-CZ3 4.33Å
113	N	89.3	Confident	94.7	Very high	44 Å²	44	60.7 Å²	60.7	24%	0.235	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-79.6	126.5	173.8	-168.3	18.6	0	0	0	109.7	K111 G115 S116 A119 V121	K111-N113 PolarHBondContact O-N 3.19Å; N113-G115 PolarHBondContact O-N 3.32Å; N113-S116 WeakPolarHBondContact O-CB 2.81Å; N113-S116 PolarHBondContact O-N 2.99Å; N113-A119 HydrophobicContact CB-CB 4.01Å; N113-A119 PolarHBondContact N-O 2.9Å; N113-A119 VanDerWaalsContact N-O 3.12Å; N113-V121 HydrophobicContact CB-CG2 3.68Å
114	A	83.1	Confident	94.7	Very high	104 Å²	104	54.5 Å²	54.5	86%	0.86	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.8	103.6	-170	0	0	0	0	0	114.8
115	G	83.7	Confident	94.6	Very high	92 Å²	92	60.4 Å²	60.4	95%	0.948	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-2.9	176.2	0	0	0	0	0	116.4	N113	N113-G115 PolarHBondContact O-N 3.32Å
116	S	91.5	Very high	94.7	Very high	36 Å²	36	60.4 Å²	60.4	25%	0.252	35%	0.351	S	S	.	.			trans	-98.9	123.8	175.5	-167.8	0	0	0	0	111.6	N113 R118 A119	N113-S116 WeakPolarHBondContact O-CB 2.81Å; N113-S116 PolarHBondContact O-N 2.99Å; S116-R118 PolarHBondContact OG-N 2.93Å; S116-A119 PolarHBondContact OG-N 2.9Å
117	D	93.3	Very high	94.9	Very high	98 Å²	98	59.8 Å²	59.8	52%	0.524	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.1	168.1	61.6	-19.3	0	0	0	113.2	A145	D117-A145 HydrophobicContact CB-CB 4.1Å; D117-A145 WeakPolarHBondContact OD2-CB 3.1Å
118	R	96.5	Very high	95.1	Very high	89 Å²	89	56.1 Å²	56.1	34%	0.336	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	1.2	-169.7	-75.5	169.9	60.4	179.9	-4.6	113.8	S116 R141 F142 L143 N144 A145	S116-R118 PolarHBondContact OG-N 2.93Å; R118-R141 WeakPolarHBondContact O-CA 2.98Å; R118-F142 PolarHBondContact NE-O 2.62Å; R118-F142 PolarHBondContact NH2-O 3.03Å; R118-F142 PolarHBondContact O-N 3.03Å; R118-L143 VanDerWaalsContact CZ-C 3.41Å; R118-L143 PolarHBondContact NE-O 2.75Å; R118-L143 PolarHBondContact NH1-O 2.96Å; R118-L143 PolarHBondContact NH2-O 3.31Å; R118-N144 VanDerWaalsContact CG-C 3.47Å; R118-A145 HydrophobicContact CG-CB 4.26Å
119	A	97.6	Very high	95.1	Very high	2 Å²	2	56.3 Å²	56.3	2%	0.017	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.4	-174.1	0	0	0	0	0	113.3	N113 S116 I140 R141	N113-A119 HydrophobicContact CB-CB 4.01Å; N113-A119 PolarHBondContact N-O 2.9Å; N113-A119 VanDerWaalsContact N-O 3.12Å; S116-A119 PolarHBondContact OG-N 2.9Å; A119-I140 CarbonylContact C-O 3.58Å; A119-I140 WeakPolarHBondContact CA-O 3.02Å; A119-I140 WeakPolarHBondContact CB-O 3.48Å; A119-R141 HydrophobicContact CB-CB 4.25Å; A119-R141 HydrophobicContact CB-CG 4.37Å
120	W	98.3	Very high	95.2	Very high	11 Å²	11	54.2 Å²	54.2	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.3	176.4	-54.8	114.6	0	0	0	110.6	L110 K111 P112 A139 I140 A148 Q149 F151 K152	L110-W120 HydrophobicContact CB-CB 4.12Å; L110-W120 HydrophobicContact CB-CD2 4.42Å; L110-W120 HydrophobicContact CB-CE3 4.46Å; L110-W120 HydrophobicContact CB-CG 4.27Å; L110-W120 HydrophobicContact CD1-CG 4.44Å; L110-W120 HydrophobicContact CD2-CB 3.94Å; L110-W120 HydrophobicContact CG-CB 4.45Å; K111-W120 CarbonylContact O-C 3.51Å; K111-W120 WeakPolarHBondContact O-CA 3.44Å; P112-W120 HydrophobicContact CB-CE3 4.22Å; P112-W120 HydrophobicContact CB-CZ3 3.8Å; P112-W120 HydrophobicContact CG-CZ3 4.33Å; W120-A139 CarbonylContact O-C 3.55Å; W120-A139 WeakPolarHBondContact O-CA 3.41Å; W120-I140 HydrophobicContact CB-CG2 4.16Å; W120-I140 PolarHBondContact N-O 2.9Å; W120-I140 PolarHBondContact O-N 3.12Å; W120-A148 PolarHBondContact NE1-O 2.63Å; W120-Q149 VanDerWaalsContact CZ2-NE2 3.31Å; W120-F151 AromaticContact CD1-CD1 3.83Å; W120-K152 HydrophobicContact CD2-CD 4.22Å; W120-K152 HydrophobicContact CE3-CD 4.17Å; W120-K152 HydrophobicContact CH2-CD 3.38Å; W120-K152 HydrophobicContact CZ2-CB 3.86Å; W120-K152 HydrophobicContact CZ2-CD 3.39Å; W120-K152 HydrophobicContact CZ2-CG 4.23Å; W120-K152 HydrophobicContact CZ3-CD 3.78Å
121	V	98	Very high	95.1	Very high	21 Å²	21	62 Å²	62	13%	0.127	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.4	177.4	-175.9	0	0	0	0	108.7	W67 K111 N113 L137 L138 A139	W67-V121 HydrophobicContact CH2-CG1 3.85Å; W67-V121 HydrophobicContact CH2-CG2 4.41Å; W67-V121 HydrophobicContact CZ2-CG1 4.18Å; W67-V121 HydrophobicContact CZ2-CG2 4.28Å; K111-V121 PolarHBondContact N-O 3.44Å; K111-V121 PolarHBondContact O-N 2.83Å; N113-V121 HydrophobicContact CB-CG2 3.68Å; V121-L137 HydrophobicContact CG1-CD1 3.79Å; V121-L137 HydrophobicContact CG1-CG 4.22Å; V121-L138 VanDerWaalsContact CA-O 3.28Å; V121-L138 WeakPolarHBondContact CA-O 3.34Å; V121-L138 WeakPolarHBondContact CG1-O 3.1Å; V121-A139 HydrophobicContact CG2-CB 3.97Å
122	W	98.4	Very high	95.1	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.6	172	71.2	103.9	0	0	0	111.3	L55 L88 H102 E109 L110 L138 I140	L55-W122 HydrophobicContact CD1-CH2 3.74Å; L55-W122 HydrophobicContact CD1-CZ2 4.39Å; L88-W122 HydrophobicContact CD1-CH2 4.33Å; L88-W122 HydrophobicContact CD1-CZ2 3.79Å; H102-W122 AromaticContact CE1-NE1 3.65Å; H102-W122 AromaticContact NE2-CE2 3.8Å; H102-W122 AromaticContact NE2-CZ2 3.96Å; H102-W122 AromaticContact NE2-NE1 3.03Å; H102-W122 PolarHBondContact NE2-NE1 2.86Å; E109-W122 WeakPolarHBondContact O-CB 3.27Å; L110-W122 HydrophobicContact CD2-CB 4.08Å; L110-W122 HydrophobicContact CD2-CD2 3.99Å; L110-W122 HydrophobicContact CD2-CE3 3.7Å; L110-W122 HydrophobicContact CD2-CG 4.18Å; L110-W122 HydrophobicContact CD2-CZ3 4.48Å; W122-L138 HydrophobicContact CD2-CB 4.26Å; W122-L138 HydrophobicContact CE3-CB 4.41Å; W122-L138 HydrophobicContact CH2-CB 4.01Å; W122-L138 HydrophobicContact CZ2-CB 3.84Å; W122-L138 HydrophobicContact CZ2-CD1 3.82Å; W122-L138 HydrophobicContact CZ3-CB 4.27Å; W122-L138 PolarHBondContact N-O 3.37Å; W122-L138 PolarHBondContact O-N 3.02Å; W122-I140 HydrophobicContact CE3-CG2 4.49Å; W122-I140 HydrophobicContact CH2-CB 3.82Å; W122-I140 HydrophobicContact CH2-CG2 4.02Å; W122-I140 HydrophobicContact CZ3-CB 3.63Å; W122-I140 HydrophobicContact CZ3-CG2 3.48Å; W122-I140 VanDerWaalsContact CZ3-CG2 3.48Å
123	N	97.4	Very high	95.2	Very high	75 Å²	75	59.3 Å²	59.3	40%	0.401	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.7	174.2	-173.1	-87.4	0	0	0	110.1	L137	N123-L137 HydrophobicContact CB-CD1 4.28Å
124	T	97.7	Very high	95.6	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.8	167.1	-179.9	0	0	0	0	109.8	H102 A126 D127 P135 E136 L138	H102-T124 WeakPolarHBondContact CB-OG1 3.29Å; T124-A126 VanDerWaalsContact C-N 3.34Å; T124-D127 HydrophobicContact CG2-CB 3.86Å; T124-P135 CarbonylContact O-C 3.59Å; T124-P135 WeakPolarHBondContact O-CA 3.41Å; T124-E136 HydrophobicContact CG2-CB 3.85Å; T124-E136 PolarHBondContact N-O 3.45Å; T124-E136 PolarHBondContact O-N 2.93Å; T124-L138 HydrophobicContact CG2-CD1 4.07Å
125	H	96.9	Very high	96.3	Very high	131 Å²	131	60.5 Å²	60.5	61%	0.606	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	-22.6	-179.5	-63.1	-57.2	0	0	0	113.2	P135	H125-P135 WeakPolarHBondContact O-CA 3.34Å
126	A	97.6	Very high	96.9	Very high	49 Å²	49	56.7 Å²	56.7	41%	0.405	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	72.6	-171.7	0	0	0	0	0	111	T124 P133	T124-A126 VanDerWaalsContact C-N 3.34Å; A126-P133 HydrophobicContact CB-CB 4.09Å
127	D	98.4	Very high	97.2	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136.1	163.2	-169.2	72.1	0	0	0	110.5	A100 N101 H102 T124 A129 C132 P133 K134 E136	A100-D127 WeakPolarHBondContact CA-OD1 3.24Å; N101-D127 PolarHBondContact N-OD1 2.67Å; H102-D127 IonicContact CE1-OD1 3.57Å; H102-D127 IonicContact CG-OD1 2.87Å; H102-D127 IonicContact ND1-OD1 3.8Å; H102-D127 PolarHBondContact ND1-OD1 3.28Å; T124-D127 HydrophobicContact CG2-CB 3.86Å; D127-A129 WeakPolarHBondContact OD2-CB 3.38Å; D127-A129 PolarHBondContact OD2-N 3.44Å; D127-A129 VanDerWaalsContact OD2-N 3.12Å; D127-C132 VanDerWaalsContact O-O 3.12Å; D127-P133 WeakPolarHBondContact O-CA 3.3Å; D127-K134 PolarHBondContact N-O 3.44Å; D127-K134 PolarHBondContact O-N 2.84Å; D127-E136 HydrophobicContact CB-CB 4.2Å; D127-E136 HydrophobicContact CB-CG 3.85Å
128	F	98.3	Very high	97.4	Very high	87 Å²	87	53.1 Å²	53.1	38%	0.382	28%	0.282	S	S	.	.			trans	-116.8	27.1	-174.7	-156.2	-103.7	0	0	0	112.1	N101 D130 E131 P133	N101-F128 HydrophobicContact CB-CB 4.45Å; N101-F128 WeakPolarHBondContact O-CB 3.23Å; N101-F128 PolarHBondContact O-N 3.16Å; F128-D130 VanDerWaalsContact C-N 3.28Å; F128-D130 PolarHBondContact O-N 2.88Å; F128-E131 HydrophobicContact CE1-CB 4.31Å; F128-E131 VanDerWaalsContact CE2-C 3.4Å; F128-E131 WeakPolarHBondContact CE2-O 3.08Å; F128-E131 HydrophobicContact CZ-CB 4.42Å; F128-E131 WeakPolarHBondContact CZ-O 3.44Å; F128-E131 PolarHBondContact O-N 3.42Å; F128-P133 HydrophobicContact CD2-CG 3.92Å; F128-P133 HydrophobicContact CE2-CG 3.97Å
129	A	97.6	Very high	97.5	Very high	13 Å²	13	49 Å²	49	11%	0.107	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.6	179.7	0	0	0	0	0	113.8	I98 D127	I98-A129 HydrophobicContact CG2-CB 3.97Å; D127-A129 WeakPolarHBondContact OD2-CB 3.38Å; D127-A129 PolarHBondContact OD2-N 3.44Å; D127-A129 VanDerWaalsContact OD2-N 3.12Å
130	D	96	Very high	97.5	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	25.2	178.7	-56	-37	0	0	0	112.1	R70 F128 C132 K134	R70-D130 IonicContact CZ-OD1 2.78Å; R70-D130 IonicContact CZ-OD2 3.52Å; R70-D130 IonicContact NH1-OD1 3.08Å; R70-D130 IonicContact NH1-OD2 3.33Å; R70-D130 IonicContact NH2-OD1 2.61Å; R70-D130 PolarHBondContact NH2-OD1 3.2Å; R70-D130 IonicContact NH2-OD2 2.76Å; R70-D130 PolarHBondContact NH2-OD2 3.37Å; F128-D130 VanDerWaalsContact C-N 3.28Å; F128-D130 PolarHBondContact O-N 2.88Å; D130-C132 PolarHBondContact O-N 2.88Å; D130-K134 IonicContact OD2-NZ 2.99Å; D130-K134 PolarHBondContact OD2-NZ 3.22Å
131	E	96.4	Very high	97.5	Very high	167 Å²	167	53.7 Å²	53.7	78%	0.78	29%	0.285	S	S	*	.	S	Bend	trans	58.6	17	-179.1	-55.7	175.4	164.8	0	0	114.2	F128	F128-E131 HydrophobicContact CE1-CB 4.31Å; F128-E131 VanDerWaalsContact CE2-C 3.4Å; F128-E131 WeakPolarHBondContact CE2-O 3.08Å; F128-E131 HydrophobicContact CZ-CB 4.42Å; F128-E131 WeakPolarHBondContact CZ-O 3.44Å; F128-E131 PolarHBondContact O-N 3.42Å
132	C	96.7	Very high	97.5	Very high	64 Å²	64	52.9 Å²	52.9	43%	0.432	28%	0.279	S	S	.	.	S	Bend	trans	-139.5	128.2	179.8	-179.5	0	0	0	0	108.1	D127 D130 K134	D127-C132 VanDerWaalsContact O-O 3.12Å; D130-C132 PolarHBondContact O-N 2.88Å; C132-K134 PolarHBondContact O-N 3.48Å
133	P	97.3	Very high	97.5	Very high	85 Å²	85	58.7 Å²	58.7	55%	0.552	31%	0.31	S	S	*	.			trans	-66.1	120	-179.1	-16.6	31	0	0	0	110.6	A126 D127 F128	A126-P133 HydrophobicContact CB-CB 4.09Å; D127-P133 WeakPolarHBondContact O-CA 3.3Å; F128-P133 HydrophobicContact CD2-CG 3.92Å; F128-P133 HydrophobicContact CE2-CG 3.97Å
134	K	96.7	Very high	97.5	Very high	73 Å²	73	57.9 Å²	57.9	32%	0.317	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.2	178.4	-65.3	175.4	-169	173.5	0	111	D127 D130 C132 E136	D127-K134 PolarHBondContact N-O 3.44Å; D127-K134 PolarHBondContact O-N 2.84Å; D130-K134 IonicContact OD2-NZ 2.99Å; D130-K134 PolarHBondContact OD2-NZ 3.22Å; C132-K134 PolarHBondContact O-N 3.48Å; K134-E136 HydrophobicContact CB-CG 4.35Å; K134-E136 PolarHBondContact O-N 2.98Å
135	P	97.1	Very high	97.4	Very high	100 Å²	100	59.1 Å²	59.1	65%	0.649	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.8	168	29	-32.5	0	0	0	109	T124 H125	T124-P135 CarbonylContact O-C 3.59Å; T124-P135 WeakPolarHBondContact O-CA 3.41Å; H125-P135 WeakPolarHBondContact O-CA 3.34Å
136	E	97	Very high	97.5	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.056	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.6	-175.1	-71.3	-70.2	-168.8	0	0	110.9	R57 T124 D127 K134 L138	R57-E136 WeakPolarHBondContact CD-OE1 3.34Å; R57-E136 WeakPolarHBondContact CD-OE2 2.83Å; R57-E136 WeakPolarHBondContact CG-OE2 3.39Å; R57-E136 IonicContact NH1-OE1 2.7Å; T124-E136 HydrophobicContact CG2-CB 3.85Å; T124-E136 PolarHBondContact N-O 3.45Å; T124-E136 PolarHBondContact O-N 2.93Å; D127-E136 HydrophobicContact CB-CB 4.2Å; D127-E136 HydrophobicContact CB-CG 3.85Å; K134-E136 HydrophobicContact CB-CG 4.35Å; K134-E136 PolarHBondContact O-N 2.98Å; E136-L138 HydrophobicContact CB-CD2 4Å; E136-L138 HydrophobicContact CB-CG 4.01Å
137	L	97.4	Very high	97.5	Very high	57 Å²	57	57.5 Å²	57.5	30%	0.298	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.9	165.4	-179.2	70.6	0	0	0	107.5	F58 W67 V121 N123	F58-L137 HydrophobicContact CB-CB 3.89Å; F58-L137 HydrophobicContact CB-CD2 3.84Å; F58-L137 HydrophobicContact CB-CG 4.06Å; F58-L137 HydrophobicContact CD1-CD2 3.85Å; F58-L137 HydrophobicContact CE1-CD2 4.48Å; F58-L137 HydrophobicContact CG-CD2 3.84Å; F58-L137 PolarHBondContact N-O 2.73Å; W67-L137 HydrophobicContact CH2-CD2 4.28Å; W67-L137 HydrophobicContact CH2-CG 4.04Å; W67-L137 WeakPolarHBondContact CZ3-O 3.19Å; V121-L137 HydrophobicContact CG1-CD1 3.79Å; V121-L137 HydrophobicContact CG1-CG 4.22Å; N123-L137 HydrophobicContact CB-CD1 4.28Å
138	L	98.3	Very high	97.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147	-171.3	-62.5	177.2	0	0	0	110.5	L55 F56 R57 H102 V121 W122 T124 E136	L55-L138 HydrophobicContact CD1-CB 4.36Å; F56-L138 WeakPolarHBondContact O-CA 3.17Å; R57-L138 HydrophobicContact CB-CD2 4.39Å; H102-L138 VanDerWaalsContact CE1-CD1 3.48Å; H102-L138 WeakPolarHBondContact CE1-CD1 3.42Å; V121-L138 VanDerWaalsContact CA-O 3.28Å; V121-L138 WeakPolarHBondContact CA-O 3.34Å; V121-L138 WeakPolarHBondContact CG1-O 3.1Å; W122-L138 HydrophobicContact CD2-CB 4.26Å; W122-L138 HydrophobicContact CE3-CB 4.41Å; W122-L138 HydrophobicContact CH2-CB 4.01Å; W122-L138 HydrophobicContact CZ2-CB 3.84Å; W122-L138 HydrophobicContact CZ2-CD1 3.82Å; W122-L138 HydrophobicContact CZ3-CB 4.27Å; W122-L138 PolarHBondContact N-O 3.37Å; W122-L138 PolarHBondContact O-N 3.02Å; T124-L138 HydrophobicContact CG2-CD1 4.07Å; E136-L138 HydrophobicContact CB-CD2 4Å; E136-L138 HydrophobicContact CB-CG 4.01Å
139	A	98.1	Very high	97.4	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.025	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.3	166.5	0	0	0	0	0	110.3	L55 F56 W67 W120 V121	L55-A139 CarbonylContact C-O 3.58Å; L55-A139 WeakPolarHBondContact CA-O 3.49Å; F56-A139 HydrophobicContact CB-CB 4.27Å; F56-A139 PolarHBondContact N-O 2.84Å; F56-A139 PolarHBondContact O-N 2.82Å; W67-A139 HydrophobicContact CD2-CB 4.48Å; W67-A139 HydrophobicContact CE3-CB 3.96Å; W67-A139 HydrophobicContact CH2-CB 3.63Å; W67-A139 HydrophobicContact CZ2-CB 4.18Å; W67-A139 HydrophobicContact CZ3-CB 3.5Å; W67-A139 VanDerWaalsContact CZ3-CB 3.5Å; W120-A139 CarbonylContact O-C 3.55Å; W120-A139 WeakPolarHBondContact O-CA 3.41Å; V121-A139 HydrophobicContact CG2-CB 3.97Å
140	I	98.6	Very high	97.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.4	176.9	-165.4	165.3	0	0	0	109.4	A53 K54 L55 V75 A119 W120 W122 F142 F151	A53-I140 HydrophobicContact CB-CD1 3.66Å; A53-I140 HydrophobicContact CB-CG1 3.6Å; K54-I140 CarbonylContact O-C 3.5Å; K54-I140 WeakPolarHBondContact O-CA 3.3Å; L55-I140 HydrophobicContact CD1-CB 4.22Å; L55-I140 HydrophobicContact CD1-CG1 4.49Å; V75-I140 HydrophobicContact CB-CD1 3.88Å; V75-I140 HydrophobicContact CG1-CD1 3.72Å; V75-I140 HydrophobicContact CG2-CD1 3.97Å; A119-I140 CarbonylContact C-O 3.58Å; A119-I140 WeakPolarHBondContact CA-O 3.02Å; A119-I140 WeakPolarHBondContact CB-O 3.48Å; W120-I140 HydrophobicContact CB-CG2 4.16Å; W120-I140 PolarHBondContact N-O 2.9Å; W120-I140 PolarHBondContact O-N 3.12Å; W122-I140 HydrophobicContact CE3-CG2 4.49Å; W122-I140 HydrophobicContact CH2-CB 3.82Å; W122-I140 HydrophobicContact CH2-CG2 4.02Å; W122-I140 HydrophobicContact CZ3-CB 3.63Å; W122-I140 HydrophobicContact CZ3-CG2 3.48Å; W122-I140 VanDerWaalsContact CZ3-CG2 3.48Å; I140-F142 HydrophobicContact CB-CE2 4.45Å; I140-F142 HydrophobicContact CD1-CE1 4.42Å; I140-F142 HydrophobicContact CD1-CE2 4.15Å; I140-F142 HydrophobicContact CD1-CZ 3.69Å; I140-F142 HydrophobicContact CG1-CE2 3.99Å; I140-F142 HydrophobicContact CG1-CZ 3.99Å; I140-F142 HydrophobicContact CG2-CE2 3.69Å; I140-F142 HydrophobicContact CG2-CZ 4.28Å; I140-F151 HydrophobicContact CD1-CZ 4.46Å; I140-F151 HydrophobicContact CG2-CD1 4.35Å; I140-F151 HydrophobicContact CG2-CE1 3.92Å
141	R	98.1	Very high	97.6	Very high	111 Å²	111	58.2 Å²	58.2	42%	0.419	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.3	177.9	-173.4	-174.1	-63.6	166.9	1.4	110.7	A53 K54 F56 R118 A119	A53-R141 WeakPolarHBondContact CA-O 3.32Å; K54-R141 PolarHBondContact N-O 2.83Å; K54-R141 PolarHBondContact O-N 3.35Å; F56-R141 HydrophobicContact CE2-CB 4.02Å; R118-R141 WeakPolarHBondContact O-CA 2.98Å; A119-R141 HydrophobicContact CB-CB 4.25Å; A119-R141 HydrophobicContact CB-CG 4.37Å
142	F	98.4	Very high	97.7	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	27%	0.273	C	S	.	.			trans	-107.5	167	178.5	-65.1	-86.8	0	0	0	112.9	M51 A53 V75 R118 I140 N144 N147 A148 F151	M51-F142 HydrophobicContact CB-CE1 4.22Å; M51-F142 HydrophobicContact CG-CD1 4.14Å; M51-F142 HydrophobicContact CG-CE1 4.19Å; M51-F142 HydrophobicContact SD-CD1 3.76Å; M51-F142 HydrophobicContact SD-CE1 3.99Å; A53-F142 HydrophobicContact CB-CD1 3.95Å; A53-F142 HydrophobicContact CB-CE1 3.71Å; A53-F142 HydrophobicContact CB-CZ 4.2Å; V75-F142 HydrophobicContact CG1-CE1 3.97Å; V75-F142 HydrophobicContact CG1-CZ 4.09Å; R118-F142 PolarHBondContact NE-O 2.62Å; R118-F142 PolarHBondContact NH2-O 3.03Å; R118-F142 PolarHBondContact O-N 3.03Å; I140-F142 HydrophobicContact CB-CE2 4.45Å; I140-F142 HydrophobicContact CD1-CE1 4.42Å; I140-F142 HydrophobicContact CD1-CE2 4.15Å; I140-F142 HydrophobicContact CD1-CZ 3.69Å; I140-F142 HydrophobicContact CG1-CE2 3.99Å; I140-F142 HydrophobicContact CG1-CZ 3.99Å; I140-F142 HydrophobicContact CG2-CE2 3.69Å; I140-F142 HydrophobicContact CG2-CZ 4.28Å; F142-N144 VanDerWaalsContact C-N 3.31Å; F142-N144 PolarHBondContact O-N 3.14Å; F142-N147 HydrophobicContact CB-CB 3.94Å; F142-N147 HydrophobicContact CD1-CB 4.42Å; F142-N147 HydrophobicContact CG-CB 4.41Å; F142-A148 HydrophobicContact CB-CB 4.2Å; F142-A148 HydrophobicContact CD2-CB 3.84Å; F142-A148 HydrophobicContact CG-CB 4.36Å; F142-F151 HydrophobicContact CE1-CB 4.05Å; F142-F151 HydrophobicContact CE1-CG 4.29Å; F142-F151 HydrophobicContact CE2-CB 3.65Å; F142-F151 AromaticContact CE2-CD1 3.61Å; F142-F151 HydrophobicContact CE2-CD1 3.61Å; F142-F151 HydrophobicContact CE2-CD2 4.45Å; F142-F151 HydrophobicContact CE2-CE1 4.36Å; F142-F151 AromaticContact CE2-CG 3.64Å; F142-F151 HydrophobicContact CE2-CG 3.64Å; F142-F151 HydrophobicContact CZ-CB 3.37Å; F142-F151 AromaticContact CZ-CD1 3.7Å; F142-F151 HydrophobicContact CZ-CD1 3.7Å; F142-F151 AromaticContact CZ-CD2 3.7Å; F142-F151 HydrophobicContact CZ-CD2 3.7Å; F142-F151 HydrophobicContact CZ-CE1 4.38Å; F142-F151 HydrophobicContact CZ-CE2 4.38Å; F142-F151 AromaticContact CZ-CG 3.29Å; F142-F151 HydrophobicContact CZ-CG 3.29Å
143	L	97.5	Very high	97.7	Very high	127 Å²	127	53 Å²	53	67%	0.665	27%	0.274	S	S	*	.	S	Bend	trans	-63.6	-31.6	-179.3	-179.3	61.3	0	0	0	113.8	R118	R118-L143 VanDerWaalsContact CZ-C 3.41Å; R118-L143 PolarHBondContact NE-O 2.75Å; R118-L143 PolarHBondContact NH1-O 2.96Å; R118-L143 PolarHBondContact NH2-O 3.31Å
144	N	96.9	Very high	97.8	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	26%	0.26	S	S	.	.	S	Bend	trans	-152.3	166.6	179.5	59.8	31.4	0	0	0	109.8	R118 F142 E146 N147 A148	R118-N144 VanDerWaalsContact CG-C 3.47Å; F142-N144 VanDerWaalsContact C-N 3.31Å; F142-N144 PolarHBondContact O-N 3.14Å; N144-E146 VanDerWaalsContact C-N 3.28Å; N144-E146 PolarHBondContact O-N 3.45Å; N144-N147 PolarHBondContact O-N 2.8Å; N144-N147 WeakPolarHBondContact OD1-CB 3.21Å; N144-N147 PolarHBondContact OD1-N 2.82Å; N144-N147 PolarHBondContact OD1-ND2 3.13Å; N144-N147 PolarHBondContact OD1-OD1 2.85Å; N144-A148 PolarHBondContact O-N 2.86Å
145	A	97	Very high	97.8	Very high	31 Å²	31	48.2 Å²	48.2	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-36.7	-175.8	0	0	0	0	0	111.4	D117 R118 N147 A148 Q149	D117-A145 HydrophobicContact CB-CB 4.1Å; D117-A145 WeakPolarHBondContact OD2-CB 3.1Å; R118-A145 HydrophobicContact CG-CB 4.26Å; A145-N147 PolarHBondContact O-N 2.85Å; A145-A148 WeakPolarHBondContact O-CB 3.46Å; A145-A148 PolarHBondContact O-N 2.95Å; A145-A148 VanDerWaalsContact O-N 3.16Å; A145-Q149 WeakPolarHBondContact O-CG 3.34Å; A145-Q149 PolarHBondContact O-N 2.85Å
146	E	97.8	Very high	97.9	Very high	117 Å²	117	47.7 Å²	47.7	55%	0.547	23%	0.233	S	C	.	.	H	α-helix	trans	-56.9	-47.2	176.7	-170.9	-167.2	156.4	0	0	111.9	N144 A148 Q149 K150	N144-E146 VanDerWaalsContact C-N 3.28Å; N144-E146 PolarHBondContact O-N 3.45Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.45Å; E146-Q149 PolarHBondContact O-N 2.92Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 2.8Å; E146-K150 WeakPolarHBondContact OE1-CE 3.48Å; E146-K150 IonicContact OE1-NZ 3.81Å; E146-K150 PolarHBondContact OE1-NZ 3.12Å
147	N	98	Very high	97.9	Very high	29 Å²	29	51.7 Å²	51.7	16%	0.155	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-40.1	176.8	-77.1	-4.8	0	0	0	111.9	M51 F142 N144 A145 Q149 K150 F151	M51-N147 HydrophobicContact CE-CB 4.34Å; M51-N147 HydrophobicContact SD-CB 3.42Å; M51-N147 WeakPolarHBondContact SD-CB 3.4Å; M51-N147 VanDerWaalsContact SD-CG 3.57Å; F142-N147 HydrophobicContact CB-CB 3.94Å; F142-N147 HydrophobicContact CD1-CB 4.42Å; F142-N147 HydrophobicContact CG-CB 4.41Å; N144-N147 PolarHBondContact O-N 2.8Å; N144-N147 WeakPolarHBondContact OD1-CB 3.21Å; N144-N147 PolarHBondContact OD1-N 2.82Å; N144-N147 PolarHBondContact OD1-ND2 3.13Å; N144-N147 PolarHBondContact OD1-OD1 2.85Å; A145-N147 PolarHBondContact O-N 2.85Å; N147-Q149 VanDerWaalsContact C-N 3.34Å; N147-K150 PolarHBondContact O-N 2.76Å; N147-F151 PolarHBondContact O-N 3.35Å
148	A	97.9	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-42.4	174.1	0	0	0	0	0	111.4	W120 F142 N144 A145 E146 F151 K152	W120-A148 PolarHBondContact NE1-O 2.63Å; F142-A148 HydrophobicContact CB-CB 4.2Å; F142-A148 HydrophobicContact CD2-CB 3.84Å; F142-A148 HydrophobicContact CG-CB 4.36Å; N144-A148 PolarHBondContact O-N 2.86Å; A145-A148 WeakPolarHBondContact O-CB 3.46Å; A145-A148 PolarHBondContact O-N 2.95Å; A145-A148 VanDerWaalsContact O-N 3.16Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.45Å; A148-F151 PolarHBondContact O-N 3.21Å; A148-K152 PolarHBondContact O-N 2.91Å
149	Q	97.7	Very high	97.8	Very high	87 Å²	87	52.9 Å²	52.9	41%	0.407	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-43.7	175.5	-64.1	-52.2	-39.1	0	0	112.1	W120 A145 E146 N147 F151 K152 T153	W120-Q149 VanDerWaalsContact CZ2-NE2 3.31Å; A145-Q149 WeakPolarHBondContact O-CG 3.34Å; A145-Q149 PolarHBondContact O-N 2.85Å; E146-Q149 PolarHBondContact O-N 2.92Å; N147-Q149 VanDerWaalsContact C-N 3.34Å; Q149-F151 VanDerWaalsContact C-N 3.3Å; Q149-F151 PolarHBondContact O-N 3.15Å; Q149-K152 PolarHBondContact O-N 3.24Å; Q149-T153 PolarHBondContact O-N 3.26Å; Q149-T153 PolarHBondContact O-OG1 2.67Å; Q149-T153 VanDerWaalsContact O-OG1 3.14Å
150	K	98.2	Very high	97.7	Very high	98 Å²	98	58.5 Å²	58.5	43%	0.426	28%	0.277	S	S	.	.	H	α-helix	trans	-55.2	-45.7	175.4	-74.1	174.3	-176.5	166.4	0	111.8	F49 M51 E146 N147 K154	F49-K150 HydrophobicContact CE2-CB 4.32Å; M51-K150 HydrophobicContact CE-CB 4.29Å; M51-K150 HydrophobicContact CE-CD 4.25Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 2.8Å; E146-K150 WeakPolarHBondContact OE1-CE 3.48Å; E146-K150 IonicContact OE1-NZ 3.81Å; E146-K150 PolarHBondContact OE1-NZ 3.12Å; N147-K150 PolarHBondContact O-N 2.76Å; K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 2.72Å
151	F	98.4	Very high	97.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-47	174.6	173.8	-102.9	0	0	0	111.7	F49 V75 L77 L88 L110 W120 I140 F142 N147 A148 Q149 K154 F155	F49-F151 AromaticContact CD1-CD2 3.95Å; F49-F151 HydrophobicContact CD1-CD2 3.95Å; F49-F151 HydrophobicContact CE1-CB 4.05Å; F49-F151 AromaticContact CE1-CD2 3.55Å; F49-F151 HydrophobicContact CE1-CD2 3.55Å; F49-F151 HydrophobicContact CE1-CG 4.29Å; F49-F151 HydrophobicContact CE2-CB 4.4Å; F49-F151 HydrophobicContact CZ-CB 3.69Å; F49-F151 HydrophobicContact CZ-CD2 4.07Å; F49-F151 HydrophobicContact CZ-CG 4.4Å; V75-F151 HydrophobicContact CG1-CD2 4.39Å; V75-F151 HydrophobicContact CG1-CE2 4.35Å; V75-F151 HydrophobicContact CG2-CE2 4.12Å; L77-F151 HydrophobicContact CD2-CE2 4.43Å; L88-F151 HydrophobicContact CD1-CE2 4.31Å; L88-F151 HydrophobicContact CD1-CZ 3.94Å; L110-F151 HydrophobicContact CD1-CD1 3.98Å; L110-F151 HydrophobicContact CD1-CE1 3.68Å; L110-F151 HydrophobicContact CD2-CE1 4.06Å; W120-F151 AromaticContact CD1-CD1 3.83Å; I140-F151 HydrophobicContact CD1-CZ 4.46Å; I140-F151 HydrophobicContact CG2-CD1 4.35Å; I140-F151 HydrophobicContact CG2-CE1 3.92Å; F142-F151 HydrophobicContact CE1-CB 4.05Å; F142-F151 HydrophobicContact CE1-CG 4.29Å; F142-F151 HydrophobicContact CE2-CB 3.65Å; F142-F151 AromaticContact CE2-CD1 3.61Å; F142-F151 HydrophobicContact CE2-CD1 3.61Å; F142-F151 HydrophobicContact CE2-CD2 4.45Å; F142-F151 HydrophobicContact CE2-CE1 4.36Å; F142-F151 AromaticContact CE2-CG 3.64Å; F142-F151 HydrophobicContact CE2-CG 3.64Å; F142-F151 HydrophobicContact CZ-CB 3.37Å; F142-F151 AromaticContact CZ-CD1 3.7Å; F142-F151 HydrophobicContact CZ-CD1 3.7Å; F142-F151 AromaticContact CZ-CD2 3.7Å; F142-F151 HydrophobicContact CZ-CD2 3.7Å; F142-F151 HydrophobicContact CZ-CE1 4.38Å; F142-F151 HydrophobicContact CZ-CE2 4.38Å; F142-F151 AromaticContact CZ-CG 3.29Å; F142-F151 HydrophobicContact CZ-CG 3.29Å; N147-F151 PolarHBondContact O-N 3.35Å; A148-F151 PolarHBondContact O-N 3.21Å; Q149-F151 VanDerWaalsContact C-N 3.3Å; Q149-F151 PolarHBondContact O-N 3.15Å; F151-K154 PolarHBondContact O-N 2.95Å; F151-F155 HydrophobicContact CE1-CD2 4.39Å; F151-F155 HydrophobicContact CE2-CD2 4.5Å; F151-F155 AromaticContact CZ-CD2 3.92Å; F151-F155 HydrophobicContact CZ-CD2 3.92Å; F151-F155 VanDerWaalsContact O-CB 3.31Å; F151-F155 WeakPolarHBondContact O-CB 3.28Å; F151-F155 PolarHBondContact O-N 2.84Å
152	K	97.8	Very high	97.4	Very high	47 Å²	47	57.6 Å²	57.6	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-50	-179.5	177.4	172.5	175.8	178	0	112.2	L110 W120 A148 Q149 K154 F155 E156	L110-K152 HydrophobicContact CD1-CB 4.11Å; L110-K152 HydrophobicContact CD1-CG 4.12Å; W120-K152 HydrophobicContact CD2-CD 4.22Å; W120-K152 HydrophobicContact CE3-CD 4.17Å; W120-K152 HydrophobicContact CH2-CD 3.38Å; W120-K152 HydrophobicContact CZ2-CB 3.86Å; W120-K152 HydrophobicContact CZ2-CD 3.39Å; W120-K152 HydrophobicContact CZ2-CG 4.23Å; W120-K152 HydrophobicContact CZ3-CD 3.78Å; A148-K152 PolarHBondContact O-N 2.91Å; Q149-K152 PolarHBondContact O-N 3.24Å; K152-K154 VanDerWaalsContact C-N 3.29Å; K152-K154 PolarHBondContact O-N 3.01Å; K152-F155 PolarHBondContact O-N 2.97Å; K152-E156 WeakPolarHBondContact CE-OE1 3.41Å; K152-E156 HydrophobicContact CG-CG 4.39Å; K152-E156 IonicContact NZ-OE1 3Å; K152-E156 WeakPolarHBondContact O-CB 3.44Å; K152-E156 WeakPolarHBondContact O-CG 3.41Å; K152-E156 PolarHBondContact O-N 3.43Å
153	T	98.1	Very high	97.2	Very high	73 Å²	73	60.4 Å²	60.4	45%	0.448	29%	0.291	S	S	.	.	H	α-helix	trans	-55.2	-47.6	176.2	-60.3	0	0	0	0	110.4	Q149 F155 E156 E157	Q149-T153 PolarHBondContact O-N 3.26Å; Q149-T153 PolarHBondContact O-OG1 2.67Å; Q149-T153 VanDerWaalsContact O-OG1 3.14Å; T153-F155 PolarHBondContact O-N 3.39Å; T153-E156 PolarHBondContact O-N 2.82Å; T153-E157 WeakPolarHBondContact O-CG 3.22Å; T153-E157 PolarHBondContact O-N 3.4Å
154	K	98.2	Very high	97	Very high	58 Å²	58	58.2 Å²	58.2	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-69.2	-35.7	-178	-163.3	53	179.2	175.6	0	113.2	L48 F49 L77 K150 F151 K152 E157 C158	L48-K154 VanDerWaalsContact O-CE 3.31Å; L48-K154 WeakPolarHBondContact O-CE 3.27Å; F49-K154 HydrophobicContact CB-CG 3.89Å; F49-K154 HydrophobicContact CD2-CB 3.92Å; F49-K154 HydrophobicContact CD2-CG 4Å; F49-K154 HydrophobicContact CG-CB 4.46Å; F49-K154 HydrophobicContact CG-CG 4.3Å; L77-K154 HydrophobicContact CD1-CB 4.44Å; L77-K154 HydrophobicContact CD1-CG 4.2Å; K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 2.72Å; F151-K154 PolarHBondContact O-N 2.95Å; K152-K154 VanDerWaalsContact C-N 3.29Å; K152-K154 PolarHBondContact O-N 3.01Å; K154-E157 WeakPolarHBondContact CD-OE2 3.5Å; K154-E157 IonicContact NZ-OE2 2.81Å; K154-E157 PolarHBondContact NZ-OE2 2.91Å; K154-C158 PolarHBondContact O-N 2.84Å; K154-C158 VanDerWaalsContact O-N 3.09Å; K154-C158 PolarHBondContact O-SG 3.05Å
155	F	98.3	Very high	96.7	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-43.8	174.2	-172.4	-80.1	0	0	0	111.7	L77 L88 I104 M108 L110 F151 K152 T153 C158 R159	L77-F155 HydrophobicContact CD1-CB 4.36Å; L77-F155 HydrophobicContact CD2-CD2 4.32Å; L88-F155 HydrophobicContact CD1-CE2 4.37Å; I104-F155 HydrophobicContact CD1-CD2 3.73Å; I104-F155 HydrophobicContact CD1-CE2 3.64Å; I104-F155 HydrophobicContact CD1-CG 4.33Å; I104-F155 HydrophobicContact CD1-CZ 4.16Å; I104-F155 HydrophobicContact CG1-CD2 4.4Å; I104-F155 HydrophobicContact CG1-CE2 3.79Å; I104-F155 HydrophobicContact CG1-CZ 4.07Å; I104-F155 HydrophobicContact CG2-CE1 4.27Å; I104-F155 HydrophobicContact CG2-CZ 4.07Å; M108-F155 HydrophobicContact CB-CE1 4.17Å; M108-F155 HydrophobicContact CB-CZ 4.12Å; M108-F155 HydrophobicContact SD-CZ 4.13Å; L110-F155 HydrophobicContact CD1-CB 3.6Å; L110-F155 HydrophobicContact CD1-CD1 3.71Å; L110-F155 HydrophobicContact CD1-CD2 4.24Å; L110-F155 HydrophobicContact CD1-CE1 4.46Å; L110-F155 HydrophobicContact CD1-CG 3.59Å; L110-F155 HydrophobicContact CD2-CD1 4.4Å; L110-F155 HydrophobicContact CD2-CE1 4.39Å; L110-F155 HydrophobicContact CD2-CG 4.49Å; L110-F155 HydrophobicContact CD2-CZ 4.45Å; L110-F155 HydrophobicContact CG-CD1 3.74Å; L110-F155 HydrophobicContact CG-CE1 4.03Å; L110-F155 HydrophobicContact CG-CG 4.05Å; F151-F155 HydrophobicContact CE1-CD2 4.39Å; F151-F155 HydrophobicContact CE2-CD2 4.5Å; F151-F155 AromaticContact CZ-CD2 3.92Å; F151-F155 HydrophobicContact CZ-CD2 3.92Å; F151-F155 VanDerWaalsContact O-CB 3.31Å; F151-F155 WeakPolarHBondContact O-CB 3.28Å; F151-F155 PolarHBondContact O-N 2.84Å; K152-F155 PolarHBondContact O-N 2.97Å; T153-F155 PolarHBondContact O-N 3.39Å; F155-C158 PolarHBondContact O-N 2.79Å; F155-R159 WeakPolarHBondContact O-CB 3.47Å; F155-R159 PolarHBondContact O-N 3.22Å
156	E	97.6	Very high	96.3	Very high	88 Å²	88	65.5 Å²	65.5	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-39.2	177.7	-73.7	178.3	174.8	0	0	112.3	K152 T153 R159 K160	K152-E156 WeakPolarHBondContact CE-OE1 3.41Å; K152-E156 HydrophobicContact CG-CG 4.39Å; K152-E156 IonicContact NZ-OE1 3Å; K152-E156 WeakPolarHBondContact O-CB 3.44Å; K152-E156 WeakPolarHBondContact O-CG 3.41Å; K152-E156 PolarHBondContact O-N 3.43Å; T153-E156 PolarHBondContact O-N 2.82Å; E156-R159 PolarHBondContact O-N 2.78Å; E156-K160 WeakPolarHBondContact O-CB 3.19Å; E156-K160 PolarHBondContact O-N 2.88Å
157	E	97.3	Very high	95.8	Very high	96 Å²	96	66.1 Å²	66.1	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-56.4	-49.5	169.9	-75.7	174.5	-163.8	0	0	111.4	T153 K154 K160 E161	T153-E157 WeakPolarHBondContact O-CG 3.22Å; T153-E157 PolarHBondContact O-N 3.4Å; K154-E157 WeakPolarHBondContact CD-OE2 3.5Å; K154-E157 IonicContact NZ-OE2 2.81Å; K154-E157 PolarHBondContact NZ-OE2 2.91Å; E157-K160 PolarHBondContact O-N 2.82Å; E157-E161 PolarHBondContact O-N 2.97Å
158	C	97.3	Very high	95.1	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.014	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-45.6	179.1	-66.8	0	0	0	0	111.9	L48 I86 I104 K154 F155 K160 E161 I162	L48-C158 VanDerWaalsContact CD1-SG 3.59Å; I86-C158 HydrophobicContact CD1-CB 3.83Å; I86-C158 HydrophobicContact CG2-CB 4.03Å; I104-C158 HydrophobicContact CD1-CB 3.94Å; K154-C158 PolarHBondContact O-N 2.84Å; K154-C158 VanDerWaalsContact O-N 3.09Å; K154-C158 PolarHBondContact O-SG 3.05Å; F155-C158 PolarHBondContact O-N 2.79Å; C158-K160 VanDerWaalsContact C-N 3.33Å; C158-K160 PolarHBondContact O-N 2.86Å; C158-E161 PolarHBondContact O-N 2.82Å; C158-I162 VanDerWaalsContact O-CG1 3.31Å; C158-I162 WeakPolarHBondContact O-CG1 3.21Å; C158-I162 PolarHBondContact O-N 2.93Å; C158-I162 VanDerWaalsContact O-N 3.11Å
159	R	96.4	Very high	93.7	Very high	82 Å²	82	74.5 Å²	74.5	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-58.4	-45.5	176.9	-178.4	-148	172.6	-160.1	0.7	111.1	I104 P106 M108 F155 E156 I162 E163	I104-R159 HydrophobicContact CG2-CB 4Å; I104-R159 HydrophobicContact CG2-CG 4.47Å; P106-R159 PolarHBondContact O-NE 2.84Å; P106-R159 PolarHBondContact O-NH2 3.3Å; M108-R159 VanDerWaalsContact O-CD 3.3Å; M108-R159 WeakPolarHBondContact O-CD 3.44Å; M108-R159 PolarHBondContact O-NE 2.97Å; M108-R159 VanDerWaalsContact O-NE 3.08Å; F155-R159 WeakPolarHBondContact O-CB 3.47Å; F155-R159 PolarHBondContact O-N 3.22Å; E156-R159 PolarHBondContact O-N 2.78Å; R159-I162 PolarHBondContact O-N 3Å; R159-E163 PolarHBondContact O-N 2.65Å
160	K	96.1	Very high	91.6	Very high	121 Å²	121	75 Å²	75	53%	0.526	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-41.5	178.7	-174.7	-178.9	175.7	-171.1	0	111.8	E156 E157 C158 I162 E163 E164	E156-K160 WeakPolarHBondContact O-CB 3.19Å; E156-K160 PolarHBondContact O-N 2.88Å; E157-K160 PolarHBondContact O-N 2.82Å; C158-K160 VanDerWaalsContact C-N 3.33Å; C158-K160 PolarHBondContact O-N 2.86Å; K160-I162 VanDerWaalsContact C-N 3.3Å; K160-I162 PolarHBondContact O-N 2.81Å; K160-E163 PolarHBondContact O-N 3.18Å; K160-E164 WeakPolarHBondContact CE-OE1 3.4Å; K160-E164 WeakPolarHBondContact O-CG 3.47Å; K160-E164 PolarHBondContact O-N 2.81Å
161	E	95.8	Very high	89.2	Confident	71 Å²	71	72.6 Å²	72.6	33%	0.332	37%	0.365	S	S	.	.	H	α-helix	trans	-58.7	-43	175.6	-171	-174.9	144	0	0	111.7	K79 E157 C158 E164 R165	K79-E161 WeakPolarHBondContact CE-OE1 3.28Å; K79-E161 IonicContact NZ-OE1 2.65Å; K79-E161 PolarHBondContact NZ-OE1 3.42Å; K79-E161 IonicContact NZ-OE2 3.23Å; E157-E161 PolarHBondContact O-N 2.97Å; C158-E161 PolarHBondContact O-N 2.82Å; E161-E164 PolarHBondContact O-N 2.91Å; E161-R165 WeakPolarHBondContact O-CB 3.04Å; E161-R165 PolarHBondContact O-N 3.43Å
162	I	94.7	Very high	86.6	Confident	20 Å²	20	80.5 Å²	80.5	10%	0.103	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-45.1	176.8	-62.9	162.7	0	0	0	110.6	I86 I104 P106 C158 R159 K160 E164 R165 E166	I86-I162 HydrophobicContact CB-CD1 3.81Å; I86-I162 HydrophobicContact CB-CG1 4.36Å; I86-I162 HydrophobicContact CD1-CD1 4.29Å; I86-I162 HydrophobicContact CD1-CG1 4.12Å; I86-I162 HydrophobicContact CG1-CD1 4.21Å; I86-I162 HydrophobicContact CG1-CG1 4.21Å; I104-I162 HydrophobicContact CB-CD1 3.63Å; I104-I162 HydrophobicContact CG2-CD1 3.72Å; I104-I162 WeakPolarHBondContact O-CD1 3.11Å; P106-I162 HydrophobicContact CG-CG2 3.84Å; C158-I162 VanDerWaalsContact O-CG1 3.31Å; C158-I162 WeakPolarHBondContact O-CG1 3.21Å; C158-I162 PolarHBondContact O-N 2.93Å; C158-I162 VanDerWaalsContact O-N 3.11Å; R159-I162 PolarHBondContact O-N 3Å; K160-I162 VanDerWaalsContact C-N 3.3Å; K160-I162 PolarHBondContact O-N 2.81Å; I162-E164 PolarHBondContact O-N 3.4Å; I162-R165 WeakPolarHBondContact O-CB 3.22Å; I162-R165 PolarHBondContact O-N 2.78Å; I162-R165 VanDerWaalsContact O-N 3.17Å; I162-E166 PolarHBondContact O-N 3.37Å
163	E	94.5	Very high	84.2	Confident	63 Å²	63	84.2 Å²	84.2	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-60	-44.9	177.8	-170.1	-170.6	178.1	0	0	112.1	P106 R159 K160 R165 E166 K167	P106-E163 HydrophobicContact CB-CB 4.06Å; P106-E163 HydrophobicContact CB-CG 4.21Å; P106-E163 HydrophobicContact CG-CB 4.25Å; R159-E163 PolarHBondContact O-N 2.65Å; K160-E163 PolarHBondContact O-N 3.18Å; E163-R165 VanDerWaalsContact C-N 3.28Å; E163-R165 PolarHBondContact O-N 3.45Å; E163-E166 PolarHBondContact O-N 2.91Å; E163-K167 VanDerWaalsContact CD-NZ 3.33Å; E163-K167 WeakPolarHBondContact O-CG 3.36Å; E163-K167 PolarHBondContact O-N 2.87Å; E163-K167 VanDerWaalsContact O-N 3.09Å; E163-K167 WeakPolarHBondContact OE1-CE 3.36Å; E163-K167 IonicContact OE1-NZ 3.58Å; E163-K167 PolarHBondContact OE1-NZ 2.96Å
164	E	93.4	Very high	82.1	Confident	82 Å²	82	86 Å²	86	38%	0.383	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-36.2	176.4	-73.3	-178.9	-174	0	0	112.1	K160 E161 I162 K167 K168	K160-E164 WeakPolarHBondContact CE-OE1 3.4Å; K160-E164 WeakPolarHBondContact O-CG 3.47Å; K160-E164 PolarHBondContact O-N 2.81Å; E161-E164 PolarHBondContact O-N 2.91Å; I162-E164 PolarHBondContact O-N 3.4Å; E164-K167 PolarHBondContact O-N 3.36Å; E164-K168 WeakPolarHBondContact O-CG 3.23Å; E164-K168 PolarHBondContact O-N 3.4Å
165	R	90.3	Very high	80	Confident	127 Å²	127	89.6 Å²	89.6	48%	0.479	45%	0.446	S	S	.	.	H	α-helix	trans	-69.6	-40.1	177.9	-174.2	176.5	174.2	-141.3	-2.5	112.4	K83 G84 E161 I162 E163 K167 K168 G169	K83-R165 PolarHBondContact O-NH1 2.85Å; K83-R165 PolarHBondContact O-NH2 2.97Å; G84-R165 PolarHBondContact O-NH1 3.45Å; G84-R165 VanDerWaalsContact O-NH1 3.12Å; E161-R165 WeakPolarHBondContact O-CB 3.04Å; E161-R165 PolarHBondContact O-N 3.43Å; I162-R165 WeakPolarHBondContact O-CB 3.22Å; I162-R165 PolarHBondContact O-N 2.78Å; I162-R165 VanDerWaalsContact O-N 3.17Å; E163-R165 VanDerWaalsContact C-N 3.28Å; E163-R165 PolarHBondContact O-N 3.45Å; R165-K167 VanDerWaalsContact C-N 3.34Å; R165-K168 PolarHBondContact O-N 2.76Å; R165-G169 PolarHBondContact O-N 2.82Å
166	E	88.1	Confident	78.2	Confident	113 Å²	113	92.3 Å²	92.3	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-63.6	-40.5	174.5	-73.2	-174.4	-176.3	0	0	111.6	P106 I162 E163 G169 S170	P106-E166 WeakPolarHBondContact CG-OE2 3.3Å; I162-E166 PolarHBondContact O-N 3.37Å; E163-E166 PolarHBondContact O-N 2.91Å; E166-G169 PolarHBondContact O-N 2.83Å; E166-S170 PolarHBondContact O-N 2.85Å
167	K	87.7	Confident	76.4	Confident	131 Å²	131	94.7 Å²	94.7	57%	0.57	48%	0.479	S	S	*	.	H	α-helix	trans	-62.2	-43.4	174.2	-71	172.4	-174.7	167.9	0	112.2	E163 E164 R165 G169 S170 G171	E163-K167 VanDerWaalsContact CD-NZ 3.33Å; E163-K167 WeakPolarHBondContact O-CG 3.36Å; E163-K167 PolarHBondContact O-N 2.87Å; E163-K167 VanDerWaalsContact O-N 3.09Å; E163-K167 WeakPolarHBondContact OE1-CE 3.36Å; E163-K167 IonicContact OE1-NZ 3.58Å; E163-K167 PolarHBondContact OE1-NZ 2.96Å; E164-K167 PolarHBondContact O-N 3.36Å; R165-K167 VanDerWaalsContact C-N 3.34Å; K167-G169 VanDerWaalsContact C-N 3.3Å; K167-G169 PolarHBondContact O-N 2.84Å; K167-S170 PolarHBondContact O-N 3.08Å; K167-G171 PolarHBondContact O-N 3.49Å
168	K	82.4	Confident	74.8	Confident	155 Å²	155	96.6 Å²	96.6	67%	0.674	49%	0.486	S	S	*	.	H	α-helix	trans	-66	-31	174.8	-73.3	172.1	-177.8	169.5	0	112.7	E164 R165	E164-K168 WeakPolarHBondContact O-CG 3.23Å; E164-K168 PolarHBondContact O-N 3.4Å; R165-K168 PolarHBondContact O-N 2.76Å
169	G	68.4	Low	73.4	Confident	49 Å²	49	99.5 Å²	99.5	51%	0.505	50%	0.503	S	S	.	.	H	α-helix	trans	-69.4	-40.1	175.8	0	0	0	0	0	113.3	R165 E166 K167 G171 K172	R165-G169 PolarHBondContact O-N 2.82Å; E166-G169 PolarHBondContact O-N 2.83Å; K167-G169 VanDerWaalsContact C-N 3.3Å; K167-G169 PolarHBondContact O-N 2.84Å; G169-G171 VanDerWaalsContact C-N 3.27Å; G169-G171 PolarHBondContact O-N 2.78Å; G169-K172 PolarHBondContact O-N 3.35Å
170	S	55.3	Low	72.3	Confident	99 Å²	99	98 Å²	98	69%	0.692	51%	0.508	S	S	*	.	H	α-helix	trans	-70.1	-19.9	176.5	-80.4	0	0	0	0	114	E166 K167 K172	E166-S170 PolarHBondContact O-N 2.85Å; K167-S170 PolarHBondContact O-N 3.08Å; S170-K172 PolarHBondContact O-N 2.99Å
171	G	47.6	Very low	71	Confident	47 Å²	47	98.8 Å²	98.8	49%	0.485	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-73.8	1.2	176.2	0	0	0	0	0	115.5	K167 G169 N173	K167-G171 PolarHBondContact O-N 3.49Å; G169-G171 VanDerWaalsContact C-N 3.27Å; G169-G171 PolarHBondContact O-N 2.78Å; G171-N173 VanDerWaalsContact C-N 3.33Å
172	K	43.7	Very low	69.9	Low	166 Å²	166	102.4 Å²	102.4	72%	0.722	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-90.3	16.4	178.4	-87.1	-178.9	175.5	177	0	114.8	G169 S170 D174 H175	G169-K172 PolarHBondContact O-N 3.35Å; S170-K172 PolarHBondContact O-N 2.99Å; K172-D174 PolarHBondContact O-N 3.33Å; K172-H175 PolarHBondContact O-N 2.83Å
173	N	47.5	Very low	68.8	Low	124 Å²	124	107.4 Å²	107.4	66%	0.663	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-64.9	-12.4	165.9	-91.7	1.3	0	0	0	113.4	G171 H175 A176 E177	G171-N173 VanDerWaalsContact C-N 3.33Å; N173-H175 PolarHBondContact O-N 3.5Å; N173-H175 VanDerWaalsContact O-N 3.16Å; N173-A176 WeakPolarHBondContact O-CB 3.39Å; N173-A176 PolarHBondContact O-N 2.96Å; N173-E177 PolarHBondContact O-N 2.61Å; N173-E177 VanDerWaalsContact O-N 3.13Å
174	D	52.7	Low	67.6	Low	110 Å²	110	112 Å²	112	59%	0.588	58%	0.576	S	S	*	*	H	α-helix	trans	-59.1	-25.4	169.2	-67.1	-0.8	0	0	0	112.9	K172 K178	K172-D174 PolarHBondContact O-N 3.33Å; D174-K178 WeakPolarHBondContact O-CB 3.45Å; D174-K178 PolarHBondContact O-N 2.71Å
175	H	54.7	Low	66.6	Low	135 Å²	135	112.3 Å²	112.3	63%	0.625	59%	0.593	S	S	*	*	H	α-helix	trans	-80.7	-25.6	176.5	-152	-52.6	0	0	0	112	K172 N173 V179	K172-H175 PolarHBondContact O-N 2.83Å; N173-H175 PolarHBondContact O-N 3.5Å; N173-H175 VanDerWaalsContact O-N 3.16Å; H175-V179 VanDerWaalsContact ND1-CG2 3.34Å; H175-V179 WeakPolarHBondContact ND1-CG2 3.46Å; H175-V179 VanDerWaalsContact O-CB 3.24Å; H175-V179 WeakPolarHBondContact O-CB 3.19Å; H175-V179 WeakPolarHBondContact O-CG2 3.27Å; H175-V179 PolarHBondContact O-N 2.89Å
176	A	60.1	Low	65.4	Low	57 Å²	57	112.9 Å²	112.9	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-73.5	-41.9	173.1	0	0	0	0	0	110.7	N173 V179 A180	N173-A176 WeakPolarHBondContact O-CB 3.39Å; N173-A176 PolarHBondContact O-N 2.96Å; A176-V179 PolarHBondContact O-N 3Å; A176-A180 WeakPolarHBondContact O-CB 3.5Å; A176-A180 PolarHBondContact O-N 3.27Å
177	E	60.1	Low	64.1	Low	138 Å²	138	112.2 Å²	112.2	65%	0.645	61%	0.613	S	S	*	*	H	α-helix	trans	-64.4	-44.6	172.8	-81.3	-175.5	160.3	0	0	112.1	N173 V179 A180 E181	N173-E177 PolarHBondContact O-N 2.61Å; N173-E177 VanDerWaalsContact O-N 3.13Å; E177-V179 VanDerWaalsContact C-N 3.29Å; E177-V179 PolarHBondContact O-N 2.76Å; E177-A180 PolarHBondContact O-N 2.8Å; E177-E181 PolarHBondContact O-N 2.68Å
178	K	63.8	Low	62.9	Low	136 Å²	136	112 Å²	112	59%	0.591	62%	0.622	S	S	*	*	H	α-helix	trans	-64.3	-30.4	174.5	-89.2	179.7	175	171	0	114.2	D174 K182	D174-K178 WeakPolarHBondContact O-CB 3.45Å; D174-K178 PolarHBondContact O-N 2.71Å; K178-K182 WeakPolarHBondContact O-CB 3.45Å; K178-K182 WeakPolarHBondContact O-CG 3.47Å; K178-K182 PolarHBondContact O-N 3.11Å
179	V	67.9	Low	61.8	Low	64 Å²	64	113.7 Å²	113.7	39%	0.388	63%	0.629	S	S	.	*	H	α-helix	trans	-76.6	-37.2	175.7	168.7	0	0	0	0	110.1	H175 A176 E177 K182 L183	H175-V179 VanDerWaalsContact ND1-CG2 3.34Å; H175-V179 WeakPolarHBondContact ND1-CG2 3.46Å; H175-V179 VanDerWaalsContact O-CB 3.24Å; H175-V179 WeakPolarHBondContact O-CB 3.19Å; H175-V179 WeakPolarHBondContact O-CG2 3.27Å; H175-V179 PolarHBondContact O-N 2.89Å; A176-V179 PolarHBondContact O-N 3Å; E177-V179 VanDerWaalsContact C-N 3.29Å; E177-V179 PolarHBondContact O-N 2.76Å; V179-K182 PolarHBondContact O-N 3.27Å; V179-L183 HydrophobicContact CG1-CD1 3.88Å; V179-L183 WeakPolarHBondContact O-CB 3.16Å; V179-L183 PolarHBondContact O-N 2.65Å
180	A	72.7	Confident	60.8	Low	50 Å²	50	120 Å²	120	41%	0.413	65%	0.645	S	S	.	*	H	α-helix	trans	-64.9	-47.7	173.3	0	0	0	0	0	112.2	A176 E177 K182 L183 E184	A176-A180 WeakPolarHBondContact O-CB 3.5Å; A176-A180 PolarHBondContact O-N 3.27Å; E177-A180 PolarHBondContact O-N 2.8Å; A180-K182 VanDerWaalsContact C-N 3.3Å; A180-K182 PolarHBondContact O-N 3.43Å; A180-L183 PolarHBondContact O-N 3.45Å; A180-L183 VanDerWaalsContact O-N 3.11Å; A180-E184 PolarHBondContact O-N 3.4Å
181	E	69.1	Low	60.6	Low	137 Å²	137	123.6 Å²	123.6	64%	0.64	65%	0.652	S	S	*	*	H	α-helix	trans	-59.8	-38.9	175.6	-81	-174.3	147.2	0	0	112.2	E177 A185	E177-E181 PolarHBondContact O-N 2.68Å; E181-A185 WeakPolarHBondContact O-CB 3.45Å; E181-A185 PolarHBondContact O-N 3.34Å
182	K	73.9	Confident	60.6	Low	148 Å²	148	127.5 Å²	127.5	64%	0.643	67%	0.666	S	S	*	*	H	α-helix	trans	-70.4	-34.3	175.4	-79.5	-177.6	176.3	-174.4	0	112.8	K178 V179 A180 L186	K178-K182 WeakPolarHBondContact O-CB 3.45Å; K178-K182 WeakPolarHBondContact O-CG 3.47Å; K178-K182 PolarHBondContact O-N 3.11Å; V179-K182 PolarHBondContact O-N 3.27Å; A180-K182 VanDerWaalsContact C-N 3.3Å; A180-K182 PolarHBondContact O-N 3.43Å; K182-L186 WeakPolarHBondContact O-CD1 3.42Å; K182-L186 PolarHBondContact O-N 3.17Å
183	L	71.8	Confident	60.9	Low	124 Å²	124	128.1 Å²	128.1	65%	0.649	67%	0.669	S	S	*	*	H	α-helix	trans	-69	-39.9	175.6	-94.5	152.6	0	0	0	111.6	V179 A180 L186	V179-L183 HydrophobicContact CG1-CD1 3.88Å; V179-L183 WeakPolarHBondContact O-CB 3.16Å; V179-L183 PolarHBondContact O-N 2.65Å; A180-L183 PolarHBondContact O-N 3.45Å; A180-L183 VanDerWaalsContact O-N 3.11Å; L183-L186 PolarHBondContact O-N 2.87Å
184	E	69.2	Low	61	Low	160 Å²	160	131 Å²	131	75%	0.748	68%	0.678	S	S	*	*	H	α-helix	trans	-66.8	-37.7	174.4	-73.5	-166	164.7	0	0	112.2	A180 L186 S187	A180-E184 PolarHBondContact O-N 3.4Å; E184-L186 PolarHBondContact O-N 3.47Å; E184-S187 PolarHBondContact O-N 2.9Å
185	A	71.8	Confident	60.8	Low	88 Å²	88	133.2 Å²	133.2	73%	0.727	69%	0.69	S	S	*	*	H	α-helix	trans	-68.6	-16.2	176.7	0	0	0	0	0	114.4	E181	E181-A185 WeakPolarHBondContact O-CB 3.45Å; E181-A185 PolarHBondContact O-N 3.34Å
186	L	64.2	Low	60.6	Low	140 Å²	140	131 Å²	131	73%	0.733	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-1	177.8	-96	105.3	0	0	0	114	K182 L183 E184 V188	K182-L186 WeakPolarHBondContact O-CD1 3.42Å; K182-L186 PolarHBondContact O-N 3.17Å; L183-L186 PolarHBondContact O-N 2.87Å; E184-L186 PolarHBondContact O-N 3.47Å; L186-V188 PolarHBondContact O-N 3.36Å; L186-V188 VanDerWaalsContact O-N 3.14Å
187	S	62.4	Low	59.9	Low	99 Å²	99	137.3 Å²	137.3	69%	0.692	72%	0.715	S	S	*	*			trans	-77.6	101.1	175.2	-162.7	0	0	0	0	110.5	E184 K189	E184-S187 PolarHBondContact O-N 2.9Å; S187-K189 PolarHBondContact O-N 2.95Å
188	V	61.4	Low	59.4	Low	127 Å²	127	138.2 Å²	138.2	77%	0.77	72%	0.719	S	S	*	*			trans	-67.3	122.5	176.8	176.9	0	0	0	0	109.2	L186 E190	L186-V188 PolarHBondContact O-N 3.36Å; L186-V188 VanDerWaalsContact O-N 3.14Å; V188-E190 PolarHBondContact O-N 2.92Å
189	K	59.2	Low	58.7	Low	190 Å²	190	140.3 Å²	140.3	83%	0.826	73%	0.728	S	S	*	*			trans	-58.9	117.2	171.7	-70.3	179.4	176.9	179.1	0	109.5	S187 E191	S187-K189 PolarHBondContact O-N 2.95Å; K189-E191 PolarHBondContact O-N 3.08Å; K189-E191 VanDerWaalsContact O-N 3.11Å
190	E	49	Very low	57.6	Low	180 Å²	180	150.1 Å²	150.1	84%	0.841	77%	0.77	S	S	*	*			trans	-62.4	106.9	163.9	-70.9	-174.6	151	0	0	108.5	V188 T192	V188-E190 PolarHBondContact O-N 2.92Å; E190-T192 PolarHBondContact O-N 3.46Å; E190-T192 VanDerWaalsContact O-N 3.12Å
191	E	50.9	Low	56.8	Low	176 Å²	176	155.1 Å²	155.1	82%	0.822	79%	0.788	S	S	*	*			trans	-74.5	94.8	166.7	-75.2	-170.3	164	0	0	108.9	K189 K193	K189-E191 PolarHBondContact O-N 3.08Å; K189-E191 VanDerWaalsContact O-N 3.11Å; E191-K193 PolarHBondContact O-N 3.48Å
192	T	47	Very low	56.2	Low	129 Å²	129	156.1 Å²	156.1	79%	0.791	80%	0.795	S	S	*	*			trans	-76.1	106.8	161.3	16.1	0	0	0	0	108.2	E190	E190-T192 PolarHBondContact O-N 3.46Å; E190-T192 VanDerWaalsContact O-N 3.12Å
193	K	49.9	Very low	55.2	Low	178 Å²	178	156.5 Å²	156.5	77%	0.774	80%	0.804	S	S	*	*			trans	-92.2	98.6	163.1	-85.2	-173	175.8	-177.6	0	109.1	E191	E191-K193 PolarHBondContact O-N 3.48Å
194	E	48.9	Very low	54.2	Low	185 Å²	185	158.4 Å²	158.4	86%	0.864	81%	0.813	S	S	*	*			trans	-86.9	108.4	155.3	-76.7	-176.6	150.7	0	0	107.7
195	D	49.3	Very low	53.3	Low	156 Å²	156	158.3 Å²	158.3	83%	0.834	82%	0.817	S	S	*	*			trans	-100	107.7	163.1	-82.3	-40.8	0	0	0	107.8
196	A	50.5	Low	52.1	Low	89 Å²	89	163 Å²	163	74%	0.736	82%	0.823	S	S	*	*			trans	-113	122	170.2	0	0	0	0	0	110.2
197	E	44.3	Very low	51.2	Low	190 Å²	190	164.6 Å²	164.6	89%	0.888	83%	0.829	S	S	*	*			trans	45.6	119.5	146.4	-63.1	-176.9	148.3	0	0	121.5
198	E	50.5	Low	50.3	Low	157 Å²	157	169.7 Å²	169.7	73%	0.734	84%	0.84	S	S	*	*				-165.3	119.4	115.9	-115.4	-170.7	147.2	0	0	114.7
199	K	48.5	Very low	49.4	Very low	179 Å²	179	173.3 Å²	173.3	78%	0.778	85%	0.846	S	S	*	*			trans	50.4	115.2	138.9	-68.7	170.8	-172.7	153	0	121.9
200	Q	45.2	Very low	48.5	Very low	270 Å²	270	171.7 Å²	171.7	100%	1.262	85%	0.848	S	S	*	*				-143.5	0	118.1	-133.4	174.6	28.9	0	0	110.4

Retrieved 200 of 200 residues in 60.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).