A0A077ZEG3_TRITR Loading...

ADK domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	31.9	Very low	244 Å²	244	146.2 Å²	146.2	100%	1.202	81%	0.812	S	S	*	*				0	120.8	0	-85.8	172	164.4	0	0	108.1
2	S	37.6	Very low	31.6	Very low	111 Å²	111	150 Å²	150	78%	0.776	81%	0.814	S	S	*	*			trans	67.7	130.2	168.8	-153.8	0	0	0	0	118.7
3	Q	33.7	Very low	31.6	Very low	167 Å²	167	150.4 Å²	150.4	78%	0.78	81%	0.812	S	S	*	*			cis	-171.1	144.3	-16.3	-112.7	178.3	11.8	0	0	105.9
4	F	28.7	Very low	31.4	Very low	191 Å²	191	150.3 Å²	150.3	84%	0.838	81%	0.811	S	S	*	*			trans	34.1	139.7	135.4	-81.3	-107.9	0	0	0	120.3
5	S	33.3	Very low	31.2	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	80%	0.801	S	S	*	*			cis	175.2	153.3	16	42.6	0	0	0	0	112
6	G	32.7	Very low	30.7	Very low	68 Å²	68	149.3 Å²	149.3	70%	0.701	81%	0.811	S	S	*	*			trans	100	97.2	147.2	0	0	0	0	0	116.5
7	V	26.8	Very low	30.6	Very low	131 Å²	131	144.6 Å²	144.6	79%	0.794	81%	0.806	S	S	*	*				65.9	113.6	64.2	-170.2	0	0	0	0	109.7
8	K	33.4	Very low	30.3	Very low	175 Å²	175	142.8 Å²	142.8	76%	0.761	81%	0.805	S	S	*	*			cis	-153.1	139.6	40.7	-70	-172.6	174.5	-178.1	0	110.3
9	E	28.6	Very low	30.2	Very low	177 Å²	177	144.2 Å²	144.2	83%	0.827	80%	0.804	S	S	*	*				64.8	125.3	87.7	-131.2	164.2	-171.7	0	0	111.8
10	A	31	Very low	30	Very low	80 Å²	80	144.8 Å²	144.8	66%	0.661	81%	0.805	S	S	*	*			cis	-156.9	145.8	28.9	0	0	0	0	0	113.1
11	D	31.6	Very low	29.9	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	81%	0.809	S	S	*	*			trans	49.7	113	135.4	-58	-26.4	0	0	0	122.9
12	K	28.5	Very low	29.6	Very low	192 Å²	192	140.1 Å²	140.1	84%	0.835	79%	0.79	S	S	*	*			trans	-69.5	146.3	146.2	-70.7	172.9	174	177.5	0	108.9
13	I	31.8	Very low	29	Very low	155 Å²	155	141.4 Å²	141.4	80%	0.795	79%	0.793	S	S	*	*				172.1	128	121.9	-77	146.9	0	0	0	109.9
14	N	28.6	Very low	28.6	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	80%	0.796	S	S	*	*			trans	77.3	113.7	152.7	-78.4	-5.7	0	0	0	124.1
15	A	28	Very low	28.5	Very low	80 Å²	80	138 Å²	138	66%	0.661	79%	0.793	S	S	*	*				77.6	123.8	108.6	0	0	0	0	0	120.4
16	E	24.1	Very low	28.1	Very low	204 Å²	204	138.8 Å²	138.8	95%	0.953	79%	0.793	S	S	*	*			trans	74.4	117	152.2	-63.7	-175.7	163.2	0	0	119.6
17	G	28.7	Very low	27.8	Very low	71 Å²	71	144.7 Å²	144.7	73%	0.732	80%	0.802	S	S	*	*			trans	151.2	80.3	173.2	0	0	0	0	0	109.8
18	S	25.7	Very low	27.6	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	80%	0.802	S	S	*	*				37.7	104.3	100.6	-167.5	0	0	0	0	113.2
19	Q	27.3	Very low	27.2	Very low	168 Å²	168	147.9 Å²	147.9	79%	0.785	81%	0.808	S	S	*	*				173.3	128.8	116.8	-89.3	-174.1	35.1	0	0	112.9
20	L	27.3	Very low	26.9	Very low	157 Å²	157	144.9 Å²	144.9	82%	0.822	80%	0.802	S	S	*	*			trans	50.1	91.2	147.4	-76.8	87.5	0	0	0	118.5
21	E	28.3	Very low	26.5	Very low	193 Å²	193	149.6 Å²	149.6	90%	0.902	81%	0.81	S	S	*	*			trans	-79.5	128.4	151	-78.5	-167.2	146.4	0	0	110.7	V23	E21-V23 PolarHBondContact O-N 3.28Å
22	A	26.3	Very low	26.1	Very low	97 Å²	97	149.6 Å²	149.6	80%	0.802	81%	0.809	S	S	*	*			trans	-62.9	113.8	-178.1	0	0	0	0	0	112.1	K24	A22-K24 PolarHBondContact O-N 3.15Å; A22-K24 VanDerWaalsContact O-N 3.15Å
23	V	25.3	Very low	25.8	Very low	139 Å²	139	151.2 Å²	151.2	84%	0.842	81%	0.81	S	S	*	*			trans	-69.9	105.4	165.9	-179.5	0	0	0	0	108.1	E21 A25	E21-V23 PolarHBondContact O-N 3.28Å; V23-A25 PolarHBondContact O-N 3.04Å; V23-A25 VanDerWaalsContact O-N 3.11Å
24	K	25.7	Very low	25.5	Very low	194 Å²	194	150.8 Å²	150.8	84%	0.843	81%	0.805	S	S	*	*			trans	-61.2	107.2	167.5	-82.5	175.7	173.7	174.7	0	109.1	A22 T26	A22-K24 PolarHBondContact O-N 3.15Å; A22-K24 VanDerWaalsContact O-N 3.15Å; K24-T26 PolarHBondContact O-N 3.21Å
25	A	25	Very low	25.4	Very low	92 Å²	92	148.7 Å²	148.7	76%	0.76	80%	0.797	S	S	*	*			trans	-72.7	110.7	166.6	0	0	0	0	0	109	V23 E27	V23-A25 PolarHBondContact O-N 3.04Å; V23-A25 VanDerWaalsContact O-N 3.11Å; A25-E27 PolarHBondContact O-N 3.03Å
26	T	26.3	Very low	25.3	Very low	125 Å²	125	150.5 Å²	150.5	77%	0.767	80%	0.802	S	S	*	*			trans	-79	106.2	167.3	-53.5	0	0	0	0	107.9	K24 Q28	K24-T26 PolarHBondContact O-N 3.21Å; T26-Q28 PolarHBondContact O-N 3.31Å
27	E	24.7	Very low	25.8	Very low	191 Å²	191	146 Å²	146	89%	0.893	79%	0.789	S	S	*	*			trans	-69	95	168.5	-72.5	-178.9	148	0	0	109.2	A25 K29	A25-E27 PolarHBondContact O-N 3.03Å; E27-K29 PolarHBondContact O-N 3.18Å
28	Q	24.2	Very low	25.8	Very low	167 Å²	167	149.3 Å²	149.3	78%	0.78	79%	0.789	S	S	*	*			trans	-76.6	107.8	160.1	-85.4	-174.7	-16.3	0	0	108.6	T26 V30	T26-Q28 PolarHBondContact O-N 3.31Å; Q28-V30 VanDerWaalsContact C-N 3.34Å; Q28-V30 PolarHBondContact O-N 3.11Å
29	K	24	Very low	26.4	Very low	207 Å²	207	149.1 Å²	149.1	90%	0.9	78%	0.78	S	S	*	*			trans	-65.9	90.6	167.8	-169.5	179	-176.9	-175.8	0	108.6	E27 E31	E27-K29 PolarHBondContact O-N 3.18Å; K29-E31 PolarHBondContact O-N 3.44Å
30	V	23.2	Very low	26.6	Very low	113 Å²	113	149 Å²	149	69%	0.685	78%	0.779	S	S	*	*			trans	-74.5	105.7	170.5	178	0	0	0	0	107.8	Q28 L32	Q28-V30 VanDerWaalsContact C-N 3.34Å; Q28-V30 PolarHBondContact O-N 3.11Å; V30-L32 PolarHBondContact O-N 3.05Å; V30-L32 VanDerWaalsContact O-N 3.13Å
31	E	21.4	Very low	26.9	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	76%	0.757	S	S	*	*			trans	-68.9	100.4	171.1	-168.1	170.6	-171.2	0	0	108.7	K29 R33	K29-E31 PolarHBondContact O-N 3.44Å; E31-R33 PolarHBondContact O-N 2.81Å
32	L	24.2	Very low	26.7	Very low	156 Å²	156	140.1 Å²	140.1	82%	0.817	74%	0.742	S	S	*	*			trans	-68.7	95.6	174.7	-77.9	159.1	0	0	0	109.2	V30 E34	V30-L32 PolarHBondContact O-N 3.05Å; V30-L32 VanDerWaalsContact O-N 3.13Å; L32-E34 PolarHBondContact O-N 3.17Å
33	R	22.4	Very low	26.9	Very low	227 Å²	227	138.7 Å²	138.7	86%	0.857	73%	0.725	S	S	*	*			trans	-66.2	109.3	160.8	-94.2	-178.8	170.7	175.9	-2.6	108.4	E31 T35	E31-R33 PolarHBondContact O-N 2.81Å; R33-T35 PolarHBondContact O-N 2.95Å
34	E	25.8	Very low	26.8	Very low	146 Å²	146	139.3 Å²	139.3	68%	0.682	72%	0.717	S	S	*	*			trans	-65.6	96.5	166.8	-67.6	173.5	-176.2	0	0	107.9	L32 K168	L32-E34 PolarHBondContact O-N 3.17Å; E34-K168 IonicContact OE1-NZ 2.66Å; E34-K168 PolarHBondContact OE1-NZ 2.86Å; E34-K168 IonicContact OE2-NZ 2.68Å; E34-K168 PolarHBondContact OE2-NZ 3.43Å
35	T	24.8	Very low	26.7	Very low	105 Å²	105	137.4 Å²	137.4	64%	0.644	71%	0.711	S	S	*	*			trans	-77	147.5	165.5	49.8	0	0	0	0	109.2	R33 V37	R33-T35 PolarHBondContact O-N 2.95Å; T35-V37 PolarHBondContact O-N 2.99Å; T35-V37 VanDerWaalsContact O-N 3.09Å
36	P	27.1	Very low	26.6	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	69%	0.692	S	S	*	*			trans	-61.4	119.3	174.7	9.4	-0.3	0	0	0	107.6	D38	P36-D38 PolarHBondContact O-N 3.15Å; P36-D38 VanDerWaalsContact O-N 3.16Å
37	V	34.8	Very low	26.4	Very low	109 Å²	109	135.4 Å²	135.4	66%	0.661	70%	0.696	S	S	*	*			trans	-74.3	107.7	178.5	179.8	0	0	0	0	106.9	T35 N39	T35-V37 PolarHBondContact O-N 2.99Å; T35-V37 VanDerWaalsContact O-N 3.09Å; V37-N39 PolarHBondContact O-N 3.17Å
38	D	28.8	Very low	26.6	Very low	140 Å²	140	128.8 Å²	128.8	75%	0.749	67%	0.669	S	S	*	*			trans	-53.7	128.2	168.5	-67.1	-46.6	0	0	0	108.8	P36 E40	P36-D38 PolarHBondContact O-N 3.15Å; P36-D38 VanDerWaalsContact O-N 3.16Å; D38-E40 PolarHBondContact O-N 3.43Å
39	N	38.3	Very low	26.6	Very low	109 Å²	109	124.2 Å²	124.2	58%	0.583	65%	0.652	S	S	*	*	S	Bend	trans	-75.7	23.3	-161.4	-124.7	-14.6	0	0	0	114.2	V37	V37-N39 PolarHBondContact O-N 3.17Å
40	E	30.3	Very low	27	Very low	166 Å²	166	116.2 Å²	116.2	78%	0.776	62%	0.619	S	S	*	*			trans	-88	110.1	178.5	-88.2	-175.3	151.2	0	0	110.4	D38 T42	D38-E40 PolarHBondContact O-N 3.43Å; E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 3.19Å
41	L	34	Very low	27.3	Very low	67 Å²	67	113.9 Å²	113.9	35%	0.351	60%	0.602	S	S	.	*			trans	-66.2	90.9	161	-83.1	96.8	0	0	0	108	C43 K74 Y75 L224	L41-C43 PolarHBondContact O-N 3.14Å; L41-C43 VanDerWaalsContact O-N 3.07Å; L41-K74 HydrophobicContact CD1-CD 4.37Å; L41-Y75 HydrophobicContact CD2-CE1 4.47Å; L41-L224 HydrophobicContact CB-CD1 4.43Å; L41-L224 HydrophobicContact CD2-CD1 3.57Å; L41-L224 HydrophobicContact CD2-CG 4.18Å
42	T	25.1	Very low	27.8	Very low	95 Å²	95	107.7 Å²	107.7	58%	0.583	58%	0.576	S	S	*	*			trans	-68	107.3	173.2	56.3	0	0	0	0	109	E40	E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 3.19Å
43	C	29	Very low	28.2	Very low	67 Å²	67	102.5 Å²	102.5	45%	0.453	56%	0.561	S	S	.	*			trans	-85	121	177.2	-64.4	0	0	0	0	109.2	L41 W78	L41-C43 PolarHBondContact O-N 3.14Å; L41-C43 VanDerWaalsContact O-N 3.07Å; C43-W78 PolarHBondContact SG-NE1 3.48Å; C43-W78 VanDerWaalsContact SG-NE1 3.45Å
44	F	23.6	Very low	28.6	Very low	152 Å²	152	103.6 Å²	103.6	67%	0.667	57%	0.565	S	S	*	*			trans	-96.9	120.1	165.2	-85.8	-89.3	0	0	0	108.2	A46 L225	F44-A46 PolarHBondContact O-N 3.44Å; F44-A46 VanDerWaalsContact O-N 3.17Å; F44-L225 HydrophobicContact CB-CD1 3.85Å
45	E	23.4	Very low	29.1	Very low	154 Å²	154	99.8 Å²	99.8	72%	0.72	55%	0.554	S	S	*	*			trans	-68.9	106.8	173.6	-65.3	-173.8	155.6	0	0	109.4	L249	E45-L249 WeakPolarHBondContact OE1-CD2 3.47Å; E45-L249 VanDerWaalsContact OE2-CD1 3.24Å; E45-L249 WeakPolarHBondContact OE2-CD1 3.36Å; E45-L249 WeakPolarHBondContact OE2-CD2 3.25Å
46	A	23	Very low	29.9	Very low	45 Å²	45	102.8 Å²	102.8	37%	0.372	56%	0.561	S	S	.	*			trans	-113	146.3	159.5	0	0	0	0	0	108.2	F44 V48 L225	F44-A46 PolarHBondContact O-N 3.44Å; F44-A46 VanDerWaalsContact O-N 3.17Å; A46-V48 WeakPolarHBondContact O-CG2 3.1Å; A46-V48 PolarHBondContact O-N 3.49Å; A46-V48 VanDerWaalsContact O-N 3.15Å; A46-L225 HydrophobicContact CB-CD2 3.38Å
47	P	23.1	Very low	30.7	Very low	130 Å²	130	107.2 Å²	107.2	84%	0.844	56%	0.562	S	S	*	*			trans	-64.3	119.6	-179	25.8	-32.1	0	0	0	109.7
48	V	27.9	Very low	31.3	Very low	53 Å²	53	106.7 Å²	106.7	32%	0.321	56%	0.555	S	S	.	*			trans	-97.7	122	-179.6	-172.5	0	0	0	0	109.8	A46 F83 L228 F232	A46-V48 WeakPolarHBondContact O-CG2 3.1Å; A46-V48 PolarHBondContact O-N 3.49Å; A46-V48 VanDerWaalsContact O-N 3.15Å; V48-F83 HydrophobicContact CB-CE1 3.74Å; V48-F83 HydrophobicContact CB-CZ 4.08Å; V48-F83 HydrophobicContact CG1-CD1 4.45Å; V48-F83 HydrophobicContact CG1-CE1 3.31Å; V48-F83 HydrophobicContact CG1-CZ 3.66Å; V48-F83 HydrophobicContact CG2-CE1 4.18Å; V48-F83 HydrophobicContact CG2-CZ 4.02Å; V48-L228 HydrophobicContact CG1-CD2 4.13Å; V48-L228 HydrophobicContact CG2-CD1 3.85Å; V48-L228 HydrophobicContact CG2-CD2 4.29Å; V48-F232 HydrophobicContact CG1-CE2 3.32Å; V48-F232 HydrophobicContact CG1-CZ 3.35Å
49	V	25.4	Very low	32.5	Very low	70 Å²	70	101.7 Å²	101.7	42%	0.424	53%	0.531	S	S	.	.			trans	-101.4	82.9	178.7	-177.1	0	0	0	0	109.4	I51 F232	V49-I51 PolarHBondContact O-N 3.41Å; V49-F232 WeakPolarHBondContact O-CE1 3.46Å; V49-F232 WeakPolarHBondContact O-CZ 3.05Å
50	L	30.5	Very low	33.6	Very low	39 Å²	39	97.7 Å²	97.7	20%	0.204	51%	0.51	C	S	.	.			trans	-65.2	109.2	171.4	-164.9	82.7	0	0	0	109.5	V52 F83 F122 F232	L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 HydrophobicContact CD2-CG2 3.86Å; L50-V52 HydrophobicContact CG-CG2 4.38Å; L50-V52 PolarHBondContact O-N 2.89Å; L50-F83 HydrophobicContact CD1-CD1 4.18Å; L50-F122 HydrophobicContact CD2-CE2 4.35Å; L50-F232 HydrophobicContact CD1-CZ 4.33Å
51	I	29.7	Very low	35.4	Very low	64 Å²	64	89.8 Å²	89.8	33%	0.328	47%	0.473	S	S	.	.			trans	-77.5	90.3	173.3	-56.6	-177.8	0	0	0	107.9	V49 G53	V49-I51 PolarHBondContact O-N 3.41Å; I51-G53 PolarHBondContact O-N 3.03Å
52	V	33.1	Very low	37.4	Very low	49 Å²	49	87.5 Å²	87.5	30%	0.297	46%	0.46	S	S	.	.			trans	-67.5	100	165.9	177.1	0	0	0	0	107.7	L50 R54 L121	L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 HydrophobicContact CD2-CG2 3.86Å; L50-V52 HydrophobicContact CG-CG2 4.38Å; L50-V52 PolarHBondContact O-N 2.89Å; V52-R54 PolarHBondContact O-N 3.41Å; V52-L121 HydrophobicContact CB-CD1 4.23Å; V52-L121 HydrophobicContact CG1-CD1 3.47Å; V52-L121 VanDerWaalsContact CG1-CD1 3.47Å; V52-L121 HydrophobicContact CG1-CD2 3.94Å; V52-L121 HydrophobicContact CG1-CG 4.37Å; V52-L121 HydrophobicContact CG2-CD1 3.83Å
53	G	32.3	Very low	39.9	Very low	48 Å²	48	83 Å²	83	50%	0.495	43%	0.433	S	S	.	.			trans	-63.2	102.4	163.8	0	0	0	0	0	108.2	I51 S55	I51-G53 PolarHBondContact O-N 3.03Å; G53-S55 PolarHBondContact O-N 2.97Å
54	R	30.2	Very low	42.4	Very low	250 Å²	250	79.8 Å²	79.8	94%	0.943	41%	0.411	S	S	*	.			trans	-67.7	84.7	172.7	-141.4	-178.6	-179.3	134.2	-0.8	108	V52	V52-R54 PolarHBondContact O-N 3.41Å
55	S	37.4	Very low	45.3	Very low	65 Å²	65	72.8 Å²	72.8	46%	0.455	38%	0.381	S	S	.	.			trans	-139.2	120.1	172.7	-167.8	0	0	0	0	107.6	G53 R57	G53-S55 PolarHBondContact O-N 2.97Å; S55-R57 PolarHBondContact O-N 3.5Å
56	E	39.9	Very low	48.4	Very low	169 Å²	169	65.6 Å²	65.6	79%	0.79	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	11.9	-173.9	-62.2	174.1	166.5	0	0	115
57	R	45.7	Very low	51.6	Low	210 Å²	210	64 Å²	64	79%	0.792	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.8	10.7	-159.8	-62	-168	-175	-168.6	1	117.5	S55	S55-R57 PolarHBondContact O-N 3.5Å
58	I	45.9	Very low	54.6	Low	99 Å²	99	59.2 Å²	59.2	51%	0.508	30%	0.304	S	S	.	.			trans	-125.7	100.8	-174.4	-45	-178.4	0	0	0	112	V60 L121	I58-V60 HydrophobicContact CG2-CG2 3.53Å; I58-V60 PolarHBondContact O-N 3Å; I58-L121 VanDerWaalsContact O-O 3.14Å
59	S	54.2	Low	57.4	Low	35 Å²	35	57.7 Å²	57.7	25%	0.245	30%	0.299	C	S	.	.			trans	-82.8	96.9	161.5	-43.9	0	0	0	0	108
60	V	60.8	Low	60.3	Low	24 Å²	24	54.4 Å²	54.4	15%	0.145	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126	174.6	168.3	0	0	0	0	109	I58 F62 L121 F122 L123 K158	I58-V60 HydrophobicContact CG2-CG2 3.53Å; I58-V60 PolarHBondContact O-N 3Å; V60-F62 HydrophobicContact CG1-CD2 4.45Å; V60-F62 HydrophobicContact CG1-CE1 4.24Å; V60-F62 HydrophobicContact CG1-CE2 3.93Å; V60-F62 HydrophobicContact CG1-CZ 3.77Å; V60-L121 PolarHBondContact N-O 3.35Å; V60-F122 HydrophobicContact CB-CD1 3.73Å; V60-F122 HydrophobicContact CB-CE1 4.04Å; V60-F122 HydrophobicContact CG1-CD1 4.09Å; V60-F122 HydrophobicContact CG1-CE1 4.38Å; V60-F122 HydrophobicContact CG2-CE1 4.36Å; V60-F122 WeakPolarHBondContact O-CA 3.3Å; V60-L123 PolarHBondContact O-N 3.44Å; V60-K158 HydrophobicContact CB-CG 4.37Å; V60-K158 HydrophobicContact CG1-CB 3.65Å; V60-K158 HydrophobicContact CG1-CG 3.61Å; V60-K158 HydrophobicContact CG2-CG 4.24Å
61	V	68.2	Low	63	Low	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.6	-180	178.5	0	0	0	0	111.3	L123 I125 V154 K158	V61-L123 HydrophobicContact CB-CD2 4.28Å; V61-L123 HydrophobicContact CG1-CD2 3.85Å; V61-L123 HydrophobicContact CG1-CG 4.38Å; V61-L123 HydrophobicContact CG2-CB 4.09Å; V61-L123 HydrophobicContact CG2-CD2 3.6Å; V61-L123 HydrophobicContact CG2-CG 4.37Å; V61-I125 HydrophobicContact CG1-CD1 3.63Å; V61-I125 HydrophobicContact CG1-CG1 3.94Å; V61-V154 HydrophobicContact CB-CG1 4.25Å; V61-V154 HydrophobicContact CG2-CB 4.26Å; V61-V154 HydrophobicContact CG2-CG1 3.37Å; V61-V154 HydrophobicContact CG2-CG2 3.87Å; V61-K158 PolarHBondContact O-N 2.72Å; V61-K158 VanDerWaalsContact O-N 3.08Å
62	F	76.8	Confident	65.6	Low	19 Å²	19	53.1 Å²	53.1	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.1	169.4	-61.2	-72.8	0	0	0	109	V60 F122 L123 L124 I125 M159 V231	V60-F62 HydrophobicContact CG1-CD2 4.45Å; V60-F62 HydrophobicContact CG1-CE1 4.24Å; V60-F62 HydrophobicContact CG1-CE2 3.93Å; V60-F62 HydrophobicContact CG1-CZ 3.77Å; F62-F122 HydrophobicContact CD2-CB 4.26Å; F62-F122 HydrophobicContact CD2-CD1 4.36Å; F62-F122 HydrophobicContact CE2-CB 3.97Å; F62-F122 AromaticContact CE2-CD1 3.38Å; F62-F122 HydrophobicContact CE2-CD1 3.38Å; F62-F122 HydrophobicContact CE2-CE1 4.13Å; F62-F122 AromaticContact CE2-CG 3.91Å; F62-F122 HydrophobicContact CE2-CG 3.91Å; F62-F122 HydrophobicContact CZ-CD1 4.03Å; F62-F122 HydrophobicContact CZ-CE1 4.36Å; F62-L123 WeakPolarHBondContact CB-O 2.88Å; F62-L123 PolarHBondContact N-O 3.49Å; F62-L124 HydrophobicContact CB-CD2 3.71Å; F62-L124 HydrophobicContact CG-CD2 4.42Å; F62-L124 CarbonylContact O-C 3.48Å; F62-L124 WeakPolarHBondContact O-CA 3.38Å; F62-I125 PolarHBondContact O-N 3.5Å; F62-M159 WeakPolarHBondContact CA-O 3.31Å; F62-M159 HydrophobicContact CD1-CB 3.68Å; F62-M159 HydrophobicContact CD1-CG 4.02Å; F62-M159 HydrophobicContact CD1-SD 3.84Å; F62-M159 HydrophobicContact CE1-CB 3.89Å; F62-M159 HydrophobicContact CE1-CE 4.26Å; F62-M159 HydrophobicContact CE1-CG 4.33Å; F62-M159 HydrophobicContact CE1-SD 3.77Å; F62-V231 HydrophobicContact CZ-CG1 4.48Å
63	C	78	Confident	68	Low	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.7	171.8	-65.8	0	0	0	0	109.1	I125 Y128 M159 V160 I161	C63-I125 CarbonylContact C-O 3.58Å; C63-I125 WeakPolarHBondContact CA-O 3.49Å; C63-Y128 WeakPolarHBondContact CB-O 3.08Å; C63-Y128 PolarHBondContact SG-O 3.19Å; C63-Y128 VanDerWaalsContact SG-O 3.33Å; C63-M159 PolarHBondContact N-O 2.77Å; C63-V160 HydrophobicContact CB-CB 4.5Å; C63-V160 HydrophobicContact CB-CG1 4.21Å; C63-V160 HydrophobicContact CB-CG2 4.13Å; C63-V160 CarbonylContact O-C 3.55Å; C63-V160 WeakPolarHBondContact O-CA 3.38Å; C63-I161 PolarHBondContact O-N 3.08Å
64	V	81.1	Confident	70.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.1	174.7	-175.7	0	0	0	0	108.6	K72 L124 I125 G127 I163	V64-K72 HydrophobicContact CG1-CB 4.46Å; V64-L124 HydrophobicContact CG2-CD2 3.78Å; V64-I125 PolarHBondContact N-O 2.8Å; V64-G127 PolarHBondContact O-N 3.21Å; V64-I163 HydrophobicContact CG1-CD1 3.71Å; V64-I163 HydrophobicContact CG1-CG1 4.37Å
65	S	85.3	Confident	72.9	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	160	-176.7	-148.7	0	0	0	0	110.7	I161 L162 I163	S65-I161 PolarHBondContact N-O 3.16Å; S65-L162 WeakPolarHBondContact O-CA 3.49Å; S65-I163 PolarHBondContact O-N 3.32Å
66	G	87.6	Confident	75	Confident	3 Å²	3	41.2 Å²	41.2	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.1	161.3	-174.7	0	0	0	0	0	111.6	K72 F198	G66-K72 PolarHBondContact O-NZ 2.96Å; G66-F198 WeakPolarHBondContact O-CE2 3.49Å
67	A	90.4	Very high	77.1	Confident	11 Å²	11	35 Å²	35	9%	0.091	18%	0.184	C	C	.	.			trans	-61.6	153.4	-179.7	0	0	0	0	0	111.3	G69 S70 K72 C170 I195 F198	A67-G69 PolarHBondContact O-N 2.77Å; A67-S70 VanDerWaalsContact O-CB 3.28Å; A67-S70 WeakPolarHBondContact O-CB 3.42Å; A67-S70 PolarHBondContact O-N 3.09Å; A67-S70 VanDerWaalsContact O-N 3.1Å; A67-S70 PolarHBondContact O-OG 3.48Å; A67-K72 PolarHBondContact O-NZ 3.15Å; A67-C170 HydrophobicContact CB-CB 4.28Å; A67-C170 VanDerWaalsContact CB-SG 3.6Å; A67-I195 HydrophobicContact CB-CD1 4.28Å; A67-F198 HydrophobicContact CB-CD1 3.88Å; A67-F198 HydrophobicContact CB-CE1 3.94Å; A67-F198 HydrophobicContact CB-CG 4.2Å; A67-F198 HydrophobicContact CB-CZ 4.31Å
68	P	86.9	Confident	78.8	Confident	30 Å²	30	26.9 Å²	26.9	20%	0.195	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	134.7	165.1	-20.9	27	0	0	0	110.5	S70 C170 V174 C194	P68-S70 VanDerWaalsContact C-N 3.32Å; P68-S70 PolarHBondContact O-N 2.93Å; P68-C170 WeakPolarHBondContact O-CB 3.43Å; P68-C170 PolarHBondContact O-SG 2.66Å; P68-V174 HydrophobicContact CB-CG2 3.88Å; P68-C194 HydrophobicContact CB-CB 4.24Å; P68-C194 HydrophobicContact CG-CB 3.67Å
69	G	86.4	Confident	80.3	Confident	22 Å²	22	22.5 Å²	22.5	23%	0.227	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	1.8	-178.1	0	0	0	0	0	116.4	A67 F71 N173	A67-G69 PolarHBondContact O-N 2.77Å; G69-F71 PolarHBondContact O-N 3.26Å; G69-N173 WeakPolarHBondContact O-CB 3.27Å; G69-N173 PolarHBondContact O-ND2 2.82Å
70	S	86.7	Confident	81.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-75.6	7.3	173.6	56.1	0	0	0	0	115	A67 P68 K72 I163 C165	A67-S70 VanDerWaalsContact O-CB 3.28Å; A67-S70 WeakPolarHBondContact O-CB 3.42Å; A67-S70 PolarHBondContact O-N 3.09Å; A67-S70 VanDerWaalsContact O-N 3.1Å; A67-S70 PolarHBondContact O-OG 3.48Å; P68-S70 VanDerWaalsContact C-N 3.32Å; P68-S70 PolarHBondContact O-N 2.93Å; S70-K72 VanDerWaalsContact C-N 3.29Å; S70-K72 PolarHBondContact O-N 3.06Å; S70-K72 WeakPolarHBondContact OG-CG 3.24Å; S70-I163 WeakPolarHBondContact O-CG2 3.09Å; S70-C165 WeakPolarHBondContact CB-SG 3.07Å
71	F	85.6	Confident	82.3	Confident	43 Å²	43	27.8 Å²	27.8	19%	0.189	16%	0.157	C	C	.	.			trans	61	25.7	-177.5	-59	-41.5	0	0	0	116.5	G69 S73 K74 Y75 F169 N173	G69-F71 PolarHBondContact O-N 3.26Å; F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 3.22Å; F71-S73 VanDerWaalsContact O-N 3.13Å; F71-K74 HydrophobicContact CB-CB 4.19Å; F71-K74 HydrophobicContact CB-CD 4.1Å; F71-K74 HydrophobicContact CB-CG 4.25Å; F71-K74 HydrophobicContact CD1-CD 4Å; F71-K74 HydrophobicContact CG-CD 4.01Å; F71-K74 WeakPolarHBondContact O-CB 3.26Å; F71-K74 PolarHBondContact O-N 3.46Å; F71-Y75 HydrophobicContact CB-CD2 4.44Å; F71-Y75 HydrophobicContact CB-CE2 4.34Å; F71-Y75 WeakPolarHBondContact O-CD2 3.43Å; F71-Y75 PolarHBondContact O-N 2.96Å; F71-F169 HydrophobicContact CD2-CE1 4.16Å; F71-F169 AromaticContact CD2-CZ 3.97Å; F71-F169 HydrophobicContact CD2-CZ 3.97Å; F71-F169 HydrophobicContact CE2-CE1 4.12Å; F71-F169 AromaticContact CE2-CZ 3.61Å; F71-F169 HydrophobicContact CE2-CZ 3.61Å; F71-N173 HydrophobicContact CE1-CB 4.17Å; F71-N173 WeakPolarHBondContact CE2-ND2 3.48Å; F71-N173 HydrophobicContact CZ-CB 4.22Å; F71-N173 VanDerWaalsContact CZ-CG 3.4Å; F71-N173 WeakPolarHBondContact CZ-ND2 3.47Å; F71-N173 WeakPolarHBondContact CZ-OD1 3.37Å
72	K	85.5	Confident	82.7	Confident	34 Å²	34	32.8 Å²	32.8	15%	0.148	18%	0.181	C	C	.	.	H	α-helix	trans	-39.9	-52	173.2	-49.3	-174.4	-83.8	-85.8	0	114	V64 G66 A67 S70 K74 Y75 C76 E126 I163	V64-K72 HydrophobicContact CG1-CB 4.46Å; G66-K72 PolarHBondContact O-NZ 2.96Å; A67-K72 PolarHBondContact O-NZ 3.15Å; S70-K72 VanDerWaalsContact C-N 3.29Å; S70-K72 PolarHBondContact O-N 3.06Å; S70-K72 WeakPolarHBondContact OG-CG 3.24Å; K72-K74 VanDerWaalsContact C-N 3.32Å; K72-K74 PolarHBondContact O-N 2.73Å; K72-Y75 PolarHBondContact O-N 3.49Å; K72-C76 PolarHBondContact O-N 3.16Å; K72-C76 PolarHBondContact O-SG 3.36Å; K72-E126 HydrophobicContact CB-CG 4Å; K72-I163 HydrophobicContact CB-CD1 4.17Å; K72-I163 HydrophobicContact CG-CD1 4.09Å
73	S	83.3	Confident	82.4	Confident	64 Å²	64	33 Å²	33	45%	0.448	18%	0.182	S	C	.	.	H	α-helix	trans	-62.9	-36.6	-178.1	-26.9	0	0	0	0	112.6	F71 C76 A77 E126	F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 3.22Å; F71-S73 VanDerWaalsContact O-N 3.13Å; S73-C76 PolarHBondContact O-N 3.22Å; S73-A77 WeakPolarHBondContact O-CB 3.46Å; S73-A77 PolarHBondContact O-N 3.15Å; S73-E126 WeakPolarHBondContact CA-OE1 3.32Å; S73-E126 VanDerWaalsContact CB-OE1 3.31Å; S73-E126 WeakPolarHBondContact CB-OE1 3.32Å; S73-E126 PolarHBondContact N-OE1 2.96Å; S73-E126 PolarHBondContact OG-OE1 3.13Å
74	K	84.4	Confident	82.1	Confident	86 Å²	86	40.2 Å²	40.2	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-41.7	176.6	-64.9	-171.2	176.6	179.8	0	111.1	L41 F71 K72 W78	L41-K74 HydrophobicContact CD1-CD 4.37Å; F71-K74 HydrophobicContact CB-CB 4.19Å; F71-K74 HydrophobicContact CB-CD 4.1Å; F71-K74 HydrophobicContact CB-CG 4.25Å; F71-K74 HydrophobicContact CD1-CD 4Å; F71-K74 HydrophobicContact CG-CD 4.01Å; F71-K74 WeakPolarHBondContact O-CB 3.26Å; F71-K74 PolarHBondContact O-N 3.46Å; K72-K74 VanDerWaalsContact C-N 3.32Å; K72-K74 PolarHBondContact O-N 2.73Å; K74-W78 VanDerWaalsContact O-CB 3.29Å; K74-W78 WeakPolarHBondContact O-CB 3.47Å; K74-W78 PolarHBondContact O-N 3.35Å
75	Y	81.3	Confident	81.7	Confident	12 Å²	12	41.1 Å²	41.1	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-43.5	176.3	-75.2	-76.2	0	0	0	112	L41 F71 K72 W78 L79 I163 V220 L224 F227	L41-Y75 HydrophobicContact CD2-CE1 4.47Å; F71-Y75 HydrophobicContact CB-CD2 4.44Å; F71-Y75 HydrophobicContact CB-CE2 4.34Å; F71-Y75 WeakPolarHBondContact O-CD2 3.43Å; F71-Y75 PolarHBondContact O-N 2.96Å; K72-Y75 PolarHBondContact O-N 3.49Å; Y75-W78 PolarHBondContact O-N 2.91Å; Y75-L79 VanDerWaalsContact O-CG 3.27Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 2.84Å; Y75-I163 HydrophobicContact CD2-CD1 3.47Å; Y75-I163 VanDerWaalsContact CD2-CD1 3.47Å; Y75-I163 HydrophobicContact CD2-CG1 4.22Å; Y75-I163 HydrophobicContact CD2-CG2 4.47Å; Y75-I163 HydrophobicContact CE2-CD1 4.15Å; Y75-I163 HydrophobicContact CE2-CG2 4.06Å; Y75-I163 HydrophobicContact CG-CD1 4.02Å; Y75-V220 HydrophobicContact CE2-CG2 4.17Å; Y75-L224 HydrophobicContact CD1-CD2 3.77Å; Y75-L224 HydrophobicContact CE1-CD2 3.78Å; Y75-L224 HydrophobicContact CE1-CG 4.29Å; Y75-F227 AromaticContact CD1-CD2 3.63Å; Y75-F227 HydrophobicContact CD1-CD2 3.63Å; Y75-F227 AromaticContact CD1-CE2 3.84Å; Y75-F227 HydrophobicContact CD1-CE2 3.84Å; Y75-F227 HydrophobicContact CD1-CG 4.32Å; Y75-F227 AromaticContact CE1-CD2 3.87Å; Y75-F227 HydrophobicContact CE1-CD2 3.87Å; Y75-F227 HydrophobicContact CE1-CE2 4.4Å; Y75-F227 HydrophobicContact CG-CD2 4.26Å; Y75-F227 HydrophobicContact CG-CE2 4Å
76	C	82	Confident	81.1	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-46.8	177	-67.6	0	0	0	0	112.1	K72 S73 L79 T80 H88	K72-C76 PolarHBondContact O-N 3.16Å; K72-C76 PolarHBondContact O-SG 3.36Å; S73-C76 PolarHBondContact O-N 3.22Å; C76-L79 PolarHBondContact O-N 3.49Å; C76-T80 PolarHBondContact O-N 2.9Å; C76-T80 PolarHBondContact O-OG1 3.25Å; C76-T80 VanDerWaalsContact O-OG1 3.13Å; C76-H88 VanDerWaalsContact CB-CD2 3.49Å; C76-H88 WeakPolarHBondContact CB-CD2 3.38Å; C76-H88 WeakPolarHBondContact CB-NE2 3.34Å
77	A	82.4	Confident	80.6	Confident	38 Å²	38	42.1 Å²	42.1	31%	0.314	23%	0.234	S	C	.	.	H	α-helix	trans	-60.2	-46.9	177.1	0	0	0	0	0	111.4	S73 L79 T80 D81	S73-A77 WeakPolarHBondContact O-CB 3.46Å; S73-A77 PolarHBondContact O-N 3.15Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.36Å; A77-T80 WeakPolarHBondContact CA-OG1 3.16Å; A77-T80 PolarHBondContact O-N 3.23Å; A77-T80 PolarHBondContact O-OG1 2.77Å; A77-D81 WeakPolarHBondContact O-CB 3.48Å; A77-D81 PolarHBondContact O-N 2.8Å
78	W	81.6	Confident	80.1	Confident	39 Å²	39	44.1 Å²	44.1	15%	0.148	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-43.8	176.9	-176.3	90.5	0	0	0	112	C43 K74 Y75 D81 H82 F83 L224 L228	C43-W78 PolarHBondContact SG-NE1 3.48Å; C43-W78 VanDerWaalsContact SG-NE1 3.45Å; K74-W78 VanDerWaalsContact O-CB 3.29Å; K74-W78 WeakPolarHBondContact O-CB 3.47Å; K74-W78 PolarHBondContact O-N 3.35Å; Y75-W78 PolarHBondContact O-N 2.91Å; W78-D81 PolarHBondContact O-N 2.88Å; W78-H82 AromaticContact CD1-CE1 3.38Å; W78-H82 AromaticContact CD1-ND1 3.72Å; W78-H82 AromaticContact CD2-ND1 3.84Å; W78-H82 AromaticContact CE2-CE1 3.67Å; W78-H82 AromaticContact CE2-CG 3.92Å; W78-H82 AromaticContact CE2-ND1 3.67Å; W78-H82 AromaticContact CE2-NE2 3.88Å; W78-H82 AromaticContact CG-CE1 4Å; W78-H82 AromaticContact CG-ND1 3.88Å; W78-H82 AromaticContact CZ2-CD2 3.99Å; W78-H82 AromaticContact NE1-CE1 3.15Å; W78-H82 PolarHBondContact NE1-CE1 3.07Å; W78-H82 AromaticContact NE1-ND1 3.59Å; W78-H82 AromaticContact NE1-NE2 3.46Å; W78-H82 PolarHBondContact NE1-NE2 3.16Å; W78-H82 PolarHBondContact O-N 3.08Å; W78-H82 VanDerWaalsContact O-N 3.16Å; W78-H82 PolarHBondContact O-ND1 2.91Å; W78-F83 HydrophobicContact CH2-CE2 4.29Å; W78-F83 AromaticContact CZ3-CE2 3.89Å; W78-F83 HydrophobicContact CZ3-CE2 3.89Å; W78-L224 HydrophobicContact CD2-CD1 4.09Å; W78-L224 HydrophobicContact CD2-CD2 3.79Å; W78-L224 HydrophobicContact CE3-CD2 3.63Å; W78-L224 HydrophobicContact CG-CD1 4.35Å; W78-L224 HydrophobicContact CG-CD2 4.41Å; W78-L224 HydrophobicContact CH2-CD2 4.23Å; W78-L224 HydrophobicContact CZ2-CB 4.49Å; W78-L224 HydrophobicContact CZ2-CD1 4.16Å; W78-L224 HydrophobicContact CZ2-CD2 4.36Å; W78-L224 HydrophobicContact CZ3-CD2 3.85Å; W78-L228 HydrophobicContact CH2-CD1 4.12Å; W78-L228 HydrophobicContact CH2-CD2 4.42Å; W78-L228 HydrophobicContact CH2-CG 4.43Å; W78-L228 HydrophobicContact CZ3-CD2 4.32Å
79	L	77.5	Confident	79.5	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-46.1	177.2	-73.1	164.8	0	0	0	111.8	Y75 C76 A77 D81 H82 F83 L86 L124 F227	Y75-L79 VanDerWaalsContact O-CG 3.27Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 2.84Å; C76-L79 PolarHBondContact O-N 3.49Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.36Å; L79-D81 VanDerWaalsContact C-N 3.3Å; L79-D81 PolarHBondContact O-N 2.92Å; L79-H82 PolarHBondContact O-N 3.4Å; L79-F83 HydrophobicContact CD2-CD2 4.05Å; L79-F83 HydrophobicContact CD2-CE2 3.95Å; L79-F83 WeakPolarHBondContact O-CB 3.31Å; L79-F83 VanDerWaalsContact O-CD2 3.27Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.96Å; L79-L86 HydrophobicContact CB-CD1 4.07Å; L79-L124 HydrophobicContact CB-CD1 3.78Å; L79-L124 HydrophobicContact CD1-CD1 3.82Å; L79-L124 HydrophobicContact CD1-CD2 4.16Å; L79-L124 HydrophobicContact CG-CD1 4.46Å; L79-F227 HydrophobicContact CD1-CD1 4.4Å; L79-F227 HydrophobicContact CD1-CE1 3.65Å; L79-F227 HydrophobicContact CD1-CZ 4.24Å; L79-F227 HydrophobicContact CD2-CD1 4.38Å; L79-F227 HydrophobicContact CD2-CE1 4.37Å; L79-F227 HydrophobicContact CG-CE1 4.44Å
80	T	77.5	Confident	79.2	Confident	39 Å²	39	43.4 Å²	43.4	24%	0.239	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-30.9	179	44.2	0	0	0	0	113.3	C76 A77 H82 L86 H88 L124	C76-T80 PolarHBondContact O-N 2.9Å; C76-T80 PolarHBondContact O-OG1 3.25Å; C76-T80 VanDerWaalsContact O-OG1 3.13Å; A77-T80 WeakPolarHBondContact CA-OG1 3.16Å; A77-T80 PolarHBondContact O-N 3.23Å; A77-T80 PolarHBondContact O-OG1 2.77Å; T80-H82 VanDerWaalsContact C-N 3.34Å; T80-L86 HydrophobicContact CG2-CB 3.99Å; T80-H88 HydrophobicContact CG2-CB 3.45Å; T80-H88 VanDerWaalsContact CG2-CB 3.45Å; T80-L124 HydrophobicContact CG2-CD1 4.45Å
81	D	80.3	Confident	78.6	Confident	131 Å²	131	45 Å²	45	70%	0.701	24%	0.242	S	C	*	.	H	α-helix	trans	-74	-26.5	178.5	-68.8	-12.4	0	0	0	112.6	A77 W78 L79	A77-D81 WeakPolarHBondContact O-CB 3.48Å; A77-D81 PolarHBondContact O-N 2.8Å; W78-D81 PolarHBondContact O-N 2.88Å; L79-D81 VanDerWaalsContact C-N 3.3Å; L79-D81 PolarHBondContact O-N 2.92Å
82	H	76	Confident	77.9	Confident	106 Å²	106	45.4 Å²	45.4	49%	0.491	26%	0.257	S	S	.	.	H	α-helix	trans	-104.4	-12.8	-174.5	-67.1	72.4	0	0	0	114	W78 L79 T80	W78-H82 AromaticContact CD1-CE1 3.38Å; W78-H82 AromaticContact CD1-ND1 3.72Å; W78-H82 AromaticContact CD2-ND1 3.84Å; W78-H82 AromaticContact CE2-CE1 3.67Å; W78-H82 AromaticContact CE2-CG 3.92Å; W78-H82 AromaticContact CE2-ND1 3.67Å; W78-H82 AromaticContact CE2-NE2 3.88Å; W78-H82 AromaticContact CG-CE1 4Å; W78-H82 AromaticContact CG-ND1 3.88Å; W78-H82 AromaticContact CZ2-CD2 3.99Å; W78-H82 AromaticContact NE1-CE1 3.15Å; W78-H82 PolarHBondContact NE1-CE1 3.07Å; W78-H82 AromaticContact NE1-ND1 3.59Å; W78-H82 AromaticContact NE1-NE2 3.46Å; W78-H82 PolarHBondContact NE1-NE2 3.16Å; W78-H82 PolarHBondContact O-N 3.08Å; W78-H82 VanDerWaalsContact O-N 3.16Å; W78-H82 PolarHBondContact O-ND1 2.91Å; L79-H82 PolarHBondContact O-N 3.4Å; T80-H82 VanDerWaalsContact C-N 3.34Å
83	F	70.4	Confident	77.2	Confident	23 Å²	23	48.7 Å²	48.7	10%	0.101	27%	0.273	C	S	.	.	S	Bend	trans	-132.2	116.5	-177.5	-60.4	-70.6	0	0	0	112.5	V48 L50 W78 L79 L86 L228	V48-F83 HydrophobicContact CB-CE1 3.74Å; V48-F83 HydrophobicContact CB-CZ 4.08Å; V48-F83 HydrophobicContact CG1-CD1 4.45Å; V48-F83 HydrophobicContact CG1-CE1 3.31Å; V48-F83 HydrophobicContact CG1-CZ 3.66Å; V48-F83 HydrophobicContact CG2-CE1 4.18Å; V48-F83 HydrophobicContact CG2-CZ 4.02Å; L50-F83 HydrophobicContact CD1-CD1 4.18Å; W78-F83 HydrophobicContact CH2-CE2 4.29Å; W78-F83 AromaticContact CZ3-CE2 3.89Å; W78-F83 HydrophobicContact CZ3-CE2 3.89Å; L79-F83 HydrophobicContact CD2-CD2 4.05Å; L79-F83 HydrophobicContact CD2-CE2 3.95Å; L79-F83 WeakPolarHBondContact O-CB 3.31Å; L79-F83 VanDerWaalsContact O-CD2 3.27Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.96Å; F83-L86 HydrophobicContact CB-CD1 3.51Å; F83-L86 HydrophobicContact CB-CG 4.3Å; F83-L86 HydrophobicContact CD2-CD1 4.14Å; F83-L86 HydrophobicContact CG-CD1 4.19Å; F83-L228 HydrophobicContact CE1-CD2 4.41Å; F83-L228 HydrophobicContact CE2-CD2 3.65Å; F83-L228 HydrophobicContact CZ-CD2 3.35Å
84	D	71.5	Confident	76.4	Confident	151 Å²	151	47.2 Å²	47.2	81%	0.807	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	144.6	171.3	-67.3	-35.3	0	0	0	111.8
85	G	72.3	Confident	75.3	Confident	20 Å²	20	46.9 Å²	46.9	21%	0.206	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	6.7	176.3	0	0	0	0	0	115	L121 F122	G85-L121 PolarHBondContact O-N 2.93Å; G85-F122 PolarHBondContact O-N 3.1Å
86	L	73.7	Confident	74.7	Confident	23 Å²	23	48.3 Å²	48.3	12%	0.12	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.9	165.6	-74	166.5	0	0	0	110.9	L79 T80 F83 F122 L124	L79-L86 HydrophobicContact CB-CD1 4.07Å; T80-L86 HydrophobicContact CG2-CB 3.99Å; F83-L86 HydrophobicContact CB-CD1 3.51Å; F83-L86 HydrophobicContact CB-CG 4.3Å; F83-L86 HydrophobicContact CD2-CD1 4.14Å; F83-L86 HydrophobicContact CG-CD1 4.19Å; L86-F122 WeakPolarHBondContact CA-O 3.21Å; L86-F122 HydrophobicContact CD2-CB 3.33Å; L86-F122 HydrophobicContact CD2-CG 4.22Å; L86-F122 HydrophobicContact CG-CB 4.26Å; L86-L124 HydrophobicContact CB-CD1 4.46Å; L86-L124 HydrophobicContact CD1-CD1 4.04Å; L86-L124 HydrophobicContact CD2-CD1 3.84Å; L86-L124 HydrophobicContact CD2-CG 3.95Å; L86-L124 HydrophobicContact CG-CD1 4.37Å
87	A	76.5	Confident	73.8	Confident	5 Å²	5	50.5 Å²	50.5	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.6	161.1	0	0	0	0	0	109.6	Y120 F122 L123 L124	A87-Y120 HydrophobicContact CB-CD1 3.7Å; A87-Y120 HydrophobicContact CB-CD2 3.72Å; A87-Y120 HydrophobicContact CB-CE1 4.01Å; A87-Y120 HydrophobicContact CB-CE2 3.99Å; A87-Y120 HydrophobicContact CB-CG 3.56Å; A87-F122 PolarHBondContact N-O 3.26Å; A87-L123 HydrophobicContact CB-CD1 4.48Å; A87-L123 CarbonylContact O-C 3.53Å; A87-L123 WeakPolarHBondContact O-CA 3.29Å; A87-L123 WeakPolarHBondContact O-CD1 3.29Å; A87-L124 PolarHBondContact O-N 2.97Å
88	H	79.4	Confident	72.7	Confident	54 Å²	54	50.9 Å²	50.9	25%	0.25	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128	170.1	169.3	-143.2	0	0	0	110.1	C76 T80 L124 E126	C76-H88 VanDerWaalsContact CB-CD2 3.49Å; C76-H88 WeakPolarHBondContact CB-CD2 3.38Å; C76-H88 WeakPolarHBondContact CB-NE2 3.34Å; T80-H88 HydrophobicContact CG2-CB 3.45Å; T80-H88 VanDerWaalsContact CG2-CB 3.45Å; H88-L124 WeakPolarHBondContact CA-O 3.45Å; H88-E126 IonicContact CE1-OE2 2.71Å; H88-E126 PolarHBondContact CE1-OE2 3.03Å; H88-E126 WeakPolarHBondContact NE2-CB 3.5Å; H88-E126 IonicContact NE2-OE2 3.29Å; H88-E126 PolarHBondContact NE2-OE2 2.93Å
89	V	75.9	Confident	71.7	Confident	12 Å²	12	55.4 Å²	55.4	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.2	172.7	175	0	0	0	0	108.4	L94 L123 L124 I125 E126 Y146	V89-L94 HydrophobicContact CG1-CD1 3.49Å; V89-L94 VanDerWaalsContact CG1-CD1 3.49Å; V89-L94 HydrophobicContact CG1-CG 4.34Å; V89-L123 HydrophobicContact CB-CD1 3.97Å; V89-L123 HydrophobicContact CG2-CD1 3.58Å; V89-L124 PolarHBondContact N-O 3.46Å; V89-I125 WeakPolarHBondContact O-CA 3.34Å; V89-E126 PolarHBondContact O-N 3.43Å; V89-Y146 HydrophobicContact CG2-CE2 4.26Å
90	S	79.8	Confident	71.2	Confident	25 Å²	25	63 Å²	63	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.5	174	-167.9	0	0	0	0	110.7	G92 Q93 L94 E126	S90-G92 PolarHBondContact O-N 3.46Å; S90-Q93 PolarHBondContact O-N 3.07Å; S90-L94 WeakPolarHBondContact O-CG 3.45Å; S90-L94 PolarHBondContact O-N 2.9Å; S90-E126 VanDerWaalsContact CB-OE2 3.31Å; S90-E126 WeakPolarHBondContact CB-OE2 3.28Å; S90-E126 PolarHBondContact OG-OE2 2.87Å
91	M	72.7	Confident	70.1	Confident	34 Å²	34	61.7 Å²	61.7	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-31.2	178.3	-71.2	-56.2	-62	0	0	112.4	L94 I95 I125 E126 Y128	M91-L94 PolarHBondContact O-N 3.45Å; M91-L94 HydrophobicContact SD-CD1 3.74Å; M91-I95 WeakPolarHBondContact O-CD1 3.27Å; M91-I95 VanDerWaalsContact O-CG1 3.26Å; M91-I95 WeakPolarHBondContact O-CG1 3.27Å; M91-I95 PolarHBondContact O-N 3.35Å; M91-I125 HydrophobicContact CG-CG2 4.14Å; M91-E126 PolarHBondContact N-O 3.17Å; M91-Y128 VanDerWaalsContact CG-CB 3.49Å; M91-Y128 HydrophobicContact CG-CD2 4.46Å; M91-Y128 HydrophobicContact CG-CG 4.07Å
92	G	71.9	Confident	68.8	Low	50 Å²	50	62.2 Å²	62.2	52%	0.515	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-42.6	174.1	0	0	0	0	0	111.9	S90 I95 A96	S90-G92 PolarHBondContact O-N 3.46Å; G92-I95 PolarHBondContact O-N 3.16Å; G92-A96 WeakPolarHBondContact O-CB 3.49Å; G92-A96 PolarHBondContact O-N 3.35Å
93	Q	70	Confident	67.6	Low	104 Å²	104	63 Å²	63	49%	0.486	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-45.5	176	-166.2	62.1	48.1	0	0	111.1	S90 I95 A96 D97	S90-Q93 PolarHBondContact O-N 3.07Å; Q93-I95 VanDerWaalsContact C-N 3.26Å; Q93-I95 PolarHBondContact O-N 3.04Å; Q93-A96 WeakPolarHBondContact O-CB 3.42Å; Q93-A96 PolarHBondContact O-N 3.44Å; Q93-D97 PolarHBondContact NE2-OD1 3.15Å; Q93-D97 WeakPolarHBondContact O-CB 3.26Å; Q93-D97 PolarHBondContact O-N 3.16Å
94	L	66.5	Low	66.6	Low	33 Å²	33	66.3 Å²	66.3	17%	0.173	39%	0.393	C	S	.	.	H	α-helix	trans	-57.3	-39	176.7	-73.6	175.9	0	0	0	112.8	V89 S90 M91 A98 M108 V145	V89-L94 HydrophobicContact CG1-CD1 3.49Å; V89-L94 VanDerWaalsContact CG1-CD1 3.49Å; V89-L94 HydrophobicContact CG1-CG 4.34Å; S90-L94 WeakPolarHBondContact O-CG 3.45Å; S90-L94 PolarHBondContact O-N 2.9Å; M91-L94 PolarHBondContact O-N 3.45Å; M91-L94 HydrophobicContact SD-CD1 3.74Å; L94-A98 WeakPolarHBondContact O-CB 3.26Å; L94-A98 PolarHBondContact O-N 2.77Å; L94-M108 WeakPolarHBondContact O-CE 3.47Å; L94-V145 HydrophobicContact CD1-CG1 3.75Å; L94-V145 HydrophobicContact CD1-CG2 4.3Å
95	I	62.7	Low	65.6	Low	78 Å²	78	60.7 Å²	60.7	40%	0.4	37%	0.366	S	S	.	.	H	α-helix	trans	-69.9	-43.2	175.6	-67.7	166	0	0	0	110.7	M91 G92 Q93 A98 I99	M91-I95 WeakPolarHBondContact O-CD1 3.27Å; M91-I95 VanDerWaalsContact O-CG1 3.26Å; M91-I95 WeakPolarHBondContact O-CG1 3.27Å; M91-I95 PolarHBondContact O-N 3.35Å; G92-I95 PolarHBondContact O-N 3.16Å; Q93-I95 VanDerWaalsContact C-N 3.26Å; Q93-I95 PolarHBondContact O-N 3.04Å; I95-A98 PolarHBondContact O-N 3.4Å; I95-I99 HydrophobicContact CG2-CD1 3.76Å; I95-I99 HydrophobicContact CG2-CG1 4.41Å; I95-I99 VanDerWaalsContact O-CG1 3.25Å; I95-I99 WeakPolarHBondContact O-CG1 3.48Å; I95-I99 PolarHBondContact O-N 3.4Å
96	A	68.1	Low	64.9	Low	43 Å²	43	66.1 Å²	66.1	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-59.9	-48.8	177.2	0	0	0	0	0	110.9	G92 Q93 A98 I99 E100	G92-A96 WeakPolarHBondContact O-CB 3.49Å; G92-A96 PolarHBondContact O-N 3.35Å; Q93-A96 WeakPolarHBondContact O-CB 3.42Å; Q93-A96 PolarHBondContact O-N 3.44Å; A96-A98 VanDerWaalsContact C-N 3.3Å; A96-A98 PolarHBondContact O-N 3.15Å; A96-I99 PolarHBondContact O-N 2.97Å; A96-I99 VanDerWaalsContact O-N 3.1Å; A96-E100 PolarHBondContact O-N 3.44Å
97	D	62.7	Low	63.9	Low	46 Å²	46	71.2 Å²	71.2	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-59.9	-39.8	175.5	-62.7	-12.2	0	0	0	110.8	Q93 I99 E100 A101 M108	Q93-D97 PolarHBondContact NE2-OD1 3.15Å; Q93-D97 WeakPolarHBondContact O-CB 3.26Å; Q93-D97 PolarHBondContact O-N 3.16Å; D97-I99 VanDerWaalsContact C-N 3.31Å; D97-I99 PolarHBondContact O-N 2.97Å; D97-E100 PolarHBondContact O-N 2.92Å; D97-A101 WeakPolarHBondContact O-CA 3.44Å; D97-A101 WeakPolarHBondContact O-CB 3.4Å; D97-A101 PolarHBondContact O-N 3.17Å; D97-M108 HydrophobicContact CB-CE 3.34Å
98	A	59.9	Low	62.4	Low	46 Å²	46	73.1 Å²	73.1	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-73.7	-18.8	177.8	0	0	0	0	0	114.1	L94 I95 A96 A101 M108	L94-A98 WeakPolarHBondContact O-CB 3.26Å; L94-A98 PolarHBondContact O-N 2.77Å; I95-A98 PolarHBondContact O-N 3.4Å; A96-A98 VanDerWaalsContact C-N 3.3Å; A96-A98 PolarHBondContact O-N 3.15Å; A98-A101 CarbonylContact C-O 3.48Å; A98-M108 HydrophobicContact CB-CE 3.88Å; A98-M108 HydrophobicContact CB-SD 4.42Å; A98-M108 VanDerWaalsContact N-CE 3.34Å
99	I	61.4	Low	61.1	Low	133 Å²	133	75.7 Å²	75.7	68%	0.682	43%	0.432	S	S	*	.	H	α-helix	trans	-84.3	-41.7	173.3	-70.5	165	0	0	0	109.7	I95 A96 D97	I95-I99 HydrophobicContact CG2-CD1 3.76Å; I95-I99 HydrophobicContact CG2-CG1 4.41Å; I95-I99 VanDerWaalsContact O-CG1 3.25Å; I95-I99 WeakPolarHBondContact O-CG1 3.48Å; I95-I99 PolarHBondContact O-N 3.4Å; A96-I99 PolarHBondContact O-N 2.97Å; A96-I99 VanDerWaalsContact O-N 3.1Å; D97-I99 VanDerWaalsContact C-N 3.31Å; D97-I99 PolarHBondContact O-N 2.97Å
100	E	65.7	Low	60.3	Low	168 Å²	168	77.6 Å²	77.6	79%	0.785	45%	0.449	S	S	*	.	H	α-helix	trans	-71.8	-42.8	178.2	-173.3	168.3	-163.1	0	0	111.3	A96 D97 N102	A96-E100 PolarHBondContact O-N 3.44Å; D97-E100 PolarHBondContact O-N 2.92Å; E100-N102 PolarHBondContact O-N 3.13Å
101	A	54.6	Low	58.9	Low	10 Å²	10	78.8 Å²	78.8	8%	0.083	46%	0.461	C	S	.	.	S	Bend	trans	-68.7	110.4	164.3	0	0	0	0	0	108.5	D97 A98 P103 S105	D97-A101 WeakPolarHBondContact O-CA 3.44Å; D97-A101 WeakPolarHBondContact O-CB 3.4Å; D97-A101 PolarHBondContact O-N 3.17Å; A98-A101 CarbonylContact C-O 3.48Å; A101-P103 WeakPolarHBondContact O-CD 3.31Å; A101-S105 WeakPolarHBondContact CB-OG 3.37Å
102	N	54.3	Low	57.9	Low	142 Å²	142	78.1 Å²	78.1	76%	0.759	46%	0.458	S	S	*	.			trans	-48	121.9	150.9	-158.8	10.1	0	0	0	105.5	E100 A104 S105	E100-N102 PolarHBondContact O-N 3.13Å; N102-A104 CarbonylContact O-C 3.51Å; N102-A104 PolarHBondContact O-N 3.23Å; N102-S105 PolarHBondContact O-N 2.82Å
103	P	49.3	Very low	57.2	Low	124 Å²	124	80.4 Å²	80.4	81%	0.805	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	9.4	-152.8	11.7	-28.9	0	0	0	118.7	A101	A101-P103 WeakPolarHBondContact O-CD 3.31Å
104	A	49.9	Very low	56.5	Low	91 Å²	91	83.8 Å²	83.8	75%	0.752	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	12.4	170.5	0	0	0	0	0	114.5	N102 E106	N102-A104 CarbonylContact O-C 3.51Å; N102-A104 PolarHBondContact O-N 3.23Å; A104-E106 PolarHBondContact O-N 3.13Å
105	S	50.4	Low	55.8	Low	33 Å²	33	84.3 Å²	84.3	23%	0.231	47%	0.474	C	S	.	.			trans	-66	134.4	-177	93.1	0	0	0	0	111.7	A101 N102 D107 M108	A101-S105 WeakPolarHBondContact CB-OG 3.37Å; N102-S105 PolarHBondContact O-N 2.82Å; S105-D107 PolarHBondContact O-N 3.3Å; S105-M108 PolarHBondContact O-N 3.23Å
106	E	57.8	Low	55.2	Low	135 Å²	135	82.4 Å²	82.4	63%	0.631	47%	0.47	S	S	*	.	H	α-helix	trans	-60.3	-21.9	176.5	-76.4	-78.7	122.9	0	0	111.9	A104 K109 A110	A104-E106 PolarHBondContact O-N 3.13Å; E106-K109 WeakPolarHBondContact O-CB 3.37Å; E106-K109 PolarHBondContact O-N 3.31Å; E106-K109 IonicContact OE1-NZ 3.39Å; E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 2.78Å
107	D	52	Low	54.2	Low	129 Å²	129	84.1 Å²	84.1	69%	0.69	49%	0.492	S	S	*	.	H	α-helix	trans	-70.9	-41.7	-176.9	-59.5	-41.4	0	0	0	113	S105 K109 A110 A111	S105-D107 PolarHBondContact O-N 3.3Å; D107-K109 VanDerWaalsContact C-N 3.32Å; D107-A110 PolarHBondContact O-N 3Å; D107-A111 PolarHBondContact O-N 3.35Å
108	M	45.4	Very low	53.7	Low	46 Å²	46	87.2 Å²	87.2	23%	0.227	51%	0.505	C	S	.	.	H	α-helix	trans	-66.2	-39.7	174.1	174.7	166.2	-77.9	0	0	110.7	L94 D97 A98 S105 A111 L112	L94-M108 WeakPolarHBondContact O-CE 3.47Å; D97-M108 HydrophobicContact CB-CE 3.34Å; A98-M108 HydrophobicContact CB-CE 3.88Å; A98-M108 HydrophobicContact CB-SD 4.42Å; A98-M108 VanDerWaalsContact N-CE 3.34Å; S105-M108 PolarHBondContact O-N 3.23Å; M108-A111 PolarHBondContact O-N 2.88Å; M108-L112 HydrophobicContact CG-CD1 3.85Å; M108-L112 HydrophobicContact CG-CG 4.47Å; M108-L112 WeakPolarHBondContact O-CB 3.46Å; M108-L112 WeakPolarHBondContact O-CD1 3.38Å; M108-L112 WeakPolarHBondContact O-CG 3.37Å; M108-L112 PolarHBondContact O-N 2.75Å
109	K	53	Low	53.5	Low	107 Å²	107	93.4 Å²	93.4	47%	0.465	53%	0.526	S	S	.	.	H	α-helix	trans	-59.3	-47.6	170.9	-93.5	-178.5	176.2	178.9	0	111.2	E106 D107 A111 L112 D113	E106-K109 WeakPolarHBondContact O-CB 3.37Å; E106-K109 PolarHBondContact O-N 3.31Å; E106-K109 IonicContact OE1-NZ 3.39Å; D107-K109 VanDerWaalsContact C-N 3.32Å; K109-A111 VanDerWaalsContact C-N 3.34Å; K109-A111 PolarHBondContact O-N 2.76Å; K109-L112 CarbonylContact O-C 3.56Å; K109-L112 PolarHBondContact O-N 3.06Å; K109-D113 VanDerWaalsContact O-CB 3.25Å; K109-D113 WeakPolarHBondContact O-CB 3.36Å; K109-D113 PolarHBondContact O-N 2.8Å
110	A	57.3	Low	53.5	Low	52 Å²	52	88.7 Å²	88.7	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-37.7	-178.4	0	0	0	0	0	112.5	E106 D107 D113 K114	E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 2.78Å; D107-A110 PolarHBondContact O-N 3Å; A110-D113 PolarHBondContact O-N 3.33Å; A110-K114 WeakPolarHBondContact O-CB 3.42Å; A110-K114 PolarHBondContact O-N 2.82Å
111	A	50.8	Low	53.4	Low	50 Å²	50	83 Å²	83	41%	0.413	48%	0.475	S	S	.	.	H	α-helix	trans	-66.1	-43.9	174	0	0	0	0	0	111.9	D107 M108 K109 K114 L115	D107-A111 PolarHBondContact O-N 3.35Å; M108-A111 PolarHBondContact O-N 2.88Å; K109-A111 VanDerWaalsContact C-N 3.34Å; K109-A111 PolarHBondContact O-N 2.76Å; A111-K114 PolarHBondContact O-N 2.78Å; A111-L115 PolarHBondContact O-N 3.28Å
112	L	52.1	Low	54.1	Low	21 Å²	21	84.1 Å²	84.1	11%	0.11	48%	0.478	C	S	.	.	H	α-helix	trans	-66.1	-37.9	174.9	-68.6	165.6	0	0	0	111.8	M108 K109 L115 A116 V145 I149	M108-L112 HydrophobicContact CG-CD1 3.85Å; M108-L112 HydrophobicContact CG-CG 4.47Å; M108-L112 WeakPolarHBondContact O-CB 3.46Å; M108-L112 WeakPolarHBondContact O-CD1 3.38Å; M108-L112 WeakPolarHBondContact O-CG 3.37Å; M108-L112 PolarHBondContact O-N 2.75Å; K109-L112 CarbonylContact O-C 3.56Å; K109-L112 PolarHBondContact O-N 3.06Å; L112-L115 CarbonylContact O-C 3.44Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.35Å; L112-A116 PolarHBondContact O-N 2.78Å; L112-V145 HydrophobicContact CD2-CG1 4.49Å; L112-I149 HydrophobicContact CB-CG1 4.27Å; L112-I149 HydrophobicContact CD2-CD1 3.51Å; L112-I149 HydrophobicContact CD2-CG1 3.32Å; L112-I149 HydrophobicContact CG-CG1 4.39Å
113	D	57.7	Low	55.1	Low	98 Å²	98	77.4 Å²	77.4	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-71.8	-30.5	178.6	-75.7	-16.7	0	0	0	111.6	K109 A110 L115 A116	K109-D113 VanDerWaalsContact O-CB 3.25Å; K109-D113 WeakPolarHBondContact O-CB 3.36Å; K109-D113 PolarHBondContact O-N 2.8Å; A110-D113 PolarHBondContact O-N 3.33Å; D113-L115 VanDerWaalsContact C-N 3.28Å; D113-L115 PolarHBondContact O-N 3.04Å; D113-A116 CarbonylContact O-C 3.52Å; D113-A116 WeakPolarHBondContact O-CA 3.33Å; D113-A116 WeakPolarHBondContact O-CB 3.38Å; D113-A116 PolarHBondContact O-N 2.85Å; D113-A116 VanDerWaalsContact O-N 3.07Å
114	K	55.9	Low	56.5	Low	174 Å²	174	71.7 Å²	71.7	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-64.8	-35.2	170.5	-114.9	-176.8	179.1	178.7	0	112.4	A110 A111 A116	A110-K114 WeakPolarHBondContact O-CB 3.42Å; A110-K114 PolarHBondContact O-N 2.82Å; A111-K114 PolarHBondContact O-N 2.78Å; K114-A116 VanDerWaalsContact C-N 3.31Å
115	L	51.1	Low	57.9	Low	45 Å²	45	67.6 Å²	67.6	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-76.5	-25.1	171.8	-66.2	158	0	0	0	110.3	A111 L112 D113 Y120 I149	A111-L115 PolarHBondContact O-N 3.28Å; L112-L115 CarbonylContact O-C 3.44Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.35Å; D113-L115 VanDerWaalsContact C-N 3.28Å; D113-L115 PolarHBondContact O-N 3.04Å; L115-Y120 HydrophobicContact CB-CE2 4.25Å; L115-Y120 HydrophobicContact CD2-CE2 3.99Å; L115-Y120 WeakPolarHBondContact CD2-OH 3.12Å; L115-Y120 WeakPolarHBondContact O-CE2 2.81Å; L115-I149 HydrophobicContact CB-CG2 3.31Å; L115-I149 HydrophobicContact CD1-CD1 4.18Å
116	A	49.9	Very low	59.5	Low	37 Å²	37	66.7 Å²	66.7	31%	0.306	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	126.8	175.6	0	0	0	0	0	112.1	L112 D113 K114 I149	L112-A116 PolarHBondContact O-N 2.78Å; D113-A116 CarbonylContact O-C 3.52Å; D113-A116 WeakPolarHBondContact O-CA 3.33Å; D113-A116 WeakPolarHBondContact O-CB 3.38Å; D113-A116 PolarHBondContact O-N 2.85Å; D113-A116 VanDerWaalsContact O-N 3.07Å; K114-A116 VanDerWaalsContact C-N 3.31Å; A116-I149 WeakPolarHBondContact CA-O 3.3Å; A116-I149 WeakPolarHBondContact CB-O 2.81Å
117	G	47.8	Very low	60.4	Low	80 Å²	80	61.3 Å²	61.3	83%	0.825	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-5.2	-177.2	0	0	0	0	0	114.8
118	Q	51.4	Low	61.6	Low	111 Å²	111	55.6 Å²	55.6	52%	0.519	31%	0.312	S	S	.	.			trans	-87.4	130.3	163.6	-69.7	-149.2	-18	0	0	110.6	Y120	Q118-Y120 HydrophobicContact CB-CD2 4.3Å; Q118-Y120 HydrophobicContact CB-CE1 3.91Å; Q118-Y120 HydrophobicContact CB-CE2 3.62Å; Q118-Y120 WeakPolarHBondContact CB-OH 3.47Å; Q118-Y120 PolarHBondContact O-N 2.89Å; Q118-Y120 VanDerWaalsContact O-N 3.1Å; Q118-Y120 PolarHBondContact OE1-OH 2.96Å
119	E	55	Low	63.2	Low	175 Å²	175	53.4 Å²	53.4	82%	0.818	30%	0.301	S	S	*	.			trans	-79.9	91.4	174.2	-69.9	-162.8	137.9	0	0	110
120	Y	61.5	Low	64.5	Low	34 Å²	34	54.3 Å²	54.3	13%	0.133	30%	0.301	C	S	.	.			trans	-82.6	130.4	169.8	-55	-68	0	0	0	110.8	A87 L115 Q118 L150	A87-Y120 HydrophobicContact CB-CD1 3.7Å; A87-Y120 HydrophobicContact CB-CD2 3.72Å; A87-Y120 HydrophobicContact CB-CE1 4.01Å; A87-Y120 HydrophobicContact CB-CE2 3.99Å; A87-Y120 HydrophobicContact CB-CG 3.56Å; L115-Y120 HydrophobicContact CB-CE2 4.25Å; L115-Y120 HydrophobicContact CD2-CE2 3.99Å; L115-Y120 WeakPolarHBondContact CD2-OH 3.12Å; L115-Y120 WeakPolarHBondContact O-CE2 2.81Å; Q118-Y120 HydrophobicContact CB-CD2 4.3Å; Q118-Y120 HydrophobicContact CB-CE1 3.91Å; Q118-Y120 HydrophobicContact CB-CE2 3.62Å; Q118-Y120 WeakPolarHBondContact CB-OH 3.47Å; Q118-Y120 PolarHBondContact O-N 2.89Å; Q118-Y120 VanDerWaalsContact O-N 3.1Å; Q118-Y120 PolarHBondContact OE1-OH 2.96Å; Y120-L150 HydrophobicContact CD2-CD1 4.49Å; Y120-L150 HydrophobicContact CD2-CD2 4.12Å
121	L	63.7	Low	65.9	Low	49 Å²	49	53.8 Å²	53.8	26%	0.257	29%	0.291	S	S	.	.	S	Bend	trans	-77	-34.6	173	-68.3	161.7	0	0	0	110.7	V52 I58 V60 G85	V52-L121 HydrophobicContact CB-CD1 4.23Å; V52-L121 HydrophobicContact CG1-CD1 3.47Å; V52-L121 VanDerWaalsContact CG1-CD1 3.47Å; V52-L121 HydrophobicContact CG1-CD2 3.94Å; V52-L121 HydrophobicContact CG1-CG 4.37Å; V52-L121 HydrophobicContact CG2-CD1 3.83Å; I58-L121 VanDerWaalsContact O-O 3.14Å; V60-L121 PolarHBondContact N-O 3.35Å; G85-L121 PolarHBondContact O-N 2.93Å
122	F	70.8	Confident	67.5	Low	33 Å²	33	54.6 Å²	54.6	15%	0.145	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.7	-169.6	-59.3	-71.6	0	0	0	111.1	L50 V60 F62 G85 L86 A87	L50-F122 HydrophobicContact CD2-CE2 4.35Å; V60-F122 HydrophobicContact CB-CD1 3.73Å; V60-F122 HydrophobicContact CB-CE1 4.04Å; V60-F122 HydrophobicContact CG1-CD1 4.09Å; V60-F122 HydrophobicContact CG1-CE1 4.38Å; V60-F122 HydrophobicContact CG2-CE1 4.36Å; V60-F122 WeakPolarHBondContact O-CA 3.3Å; F62-F122 HydrophobicContact CD2-CB 4.26Å; F62-F122 HydrophobicContact CD2-CD1 4.36Å; F62-F122 HydrophobicContact CE2-CB 3.97Å; F62-F122 AromaticContact CE2-CD1 3.38Å; F62-F122 HydrophobicContact CE2-CD1 3.38Å; F62-F122 HydrophobicContact CE2-CE1 4.13Å; F62-F122 AromaticContact CE2-CG 3.91Å; F62-F122 HydrophobicContact CE2-CG 3.91Å; F62-F122 HydrophobicContact CZ-CD1 4.03Å; F62-F122 HydrophobicContact CZ-CE1 4.36Å; G85-F122 PolarHBondContact O-N 3.1Å; L86-F122 WeakPolarHBondContact CA-O 3.21Å; L86-F122 HydrophobicContact CD2-CB 3.33Å; L86-F122 HydrophobicContact CD2-CG 4.22Å; L86-F122 HydrophobicContact CG-CB 4.26Å; A87-F122 PolarHBondContact N-O 3.26Å
123	L	74	Confident	69	Low	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.6	173.6	168.4	58.7	0	0	0	110.3	V60 V61 F62 A87 V89 I125 V142 Y146	V60-L123 PolarHBondContact O-N 3.44Å; V61-L123 HydrophobicContact CB-CD2 4.28Å; V61-L123 HydrophobicContact CG1-CD2 3.85Å; V61-L123 HydrophobicContact CG1-CG 4.38Å; V61-L123 HydrophobicContact CG2-CB 4.09Å; V61-L123 HydrophobicContact CG2-CD2 3.6Å; V61-L123 HydrophobicContact CG2-CG 4.37Å; F62-L123 WeakPolarHBondContact CB-O 2.88Å; F62-L123 PolarHBondContact N-O 3.49Å; A87-L123 HydrophobicContact CB-CD1 4.48Å; A87-L123 CarbonylContact O-C 3.53Å; A87-L123 WeakPolarHBondContact O-CA 3.29Å; A87-L123 WeakPolarHBondContact O-CD1 3.29Å; V89-L123 HydrophobicContact CB-CD1 3.97Å; V89-L123 HydrophobicContact CG2-CD1 3.58Å; L123-I125 HydrophobicContact CD1-CG1 4.07Å; L123-I125 HydrophobicContact CD2-CD1 3.57Å; L123-I125 HydrophobicContact CD2-CG1 3.39Å; L123-I125 HydrophobicContact CG-CD1 4.38Å; L123-I125 HydrophobicContact CG-CG1 3.66Å; L123-V142 HydrophobicContact CD2-CG1 4.39Å; L123-Y146 HydrophobicContact CB-CE1 4.27Å; L123-Y146 WeakPolarHBondContact CB-OH 3.4Å; L123-Y146 HydrophobicContact CD1-CE2 3.61Å; L123-Y146 VanDerWaalsContact CD1-CZ 3.49Å; L123-Y146 WeakPolarHBondContact CD1-OH 3.47Å; L123-Y146 HydrophobicContact CD2-CD1 4.39Å; L123-Y146 HydrophobicContact CD2-CD2 3.78Å; L123-Y146 HydrophobicContact CD2-CE1 3.71Å; L123-Y146 HydrophobicContact CD2-CE2 3.03Å; L123-Y146 HydrophobicContact CD2-CG 4.44Å; L123-Y146 VanDerWaalsContact CD2-OH 3.3Å; L123-Y146 WeakPolarHBondContact CD2-OH 3.45Å; L123-Y146 HydrophobicContact CG-CE1 4.35Å; L123-Y146 HydrophobicContact CG-CE2 3.77Å; L123-Y146 VanDerWaalsContact CG-CZ 3.5Å; L123-Y146 WeakPolarHBondContact CG-OH 3.45Å
124	L	78.4	Confident	70	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.4	167.2	-72.8	164.5	0	0	0	110.1	F62 V64 L79 T80 L86 A87 H88 V89	F62-L124 HydrophobicContact CB-CD2 3.71Å; F62-L124 HydrophobicContact CG-CD2 4.42Å; F62-L124 CarbonylContact O-C 3.48Å; F62-L124 WeakPolarHBondContact O-CA 3.38Å; V64-L124 HydrophobicContact CG2-CD2 3.78Å; L79-L124 HydrophobicContact CB-CD1 3.78Å; L79-L124 HydrophobicContact CD1-CD1 3.82Å; L79-L124 HydrophobicContact CD1-CD2 4.16Å; L79-L124 HydrophobicContact CG-CD1 4.46Å; T80-L124 HydrophobicContact CG2-CD1 4.45Å; L86-L124 HydrophobicContact CB-CD1 4.46Å; L86-L124 HydrophobicContact CD1-CD1 4.04Å; L86-L124 HydrophobicContact CD2-CD1 3.84Å; L86-L124 HydrophobicContact CD2-CG 3.95Å; L86-L124 HydrophobicContact CG-CD1 4.37Å; A87-L124 PolarHBondContact O-N 2.97Å; H88-L124 WeakPolarHBondContact CA-O 3.45Å; V89-L124 PolarHBondContact N-O 3.46Å
125	I	79.3	Confident	71	Confident	5 Å²	5	49 Å²	49	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.5	172.6	-52.2	-176.3	0	0	0	108.8	V61 F62 C63 V64 V89 M91 L123 Y128 V142	V61-I125 HydrophobicContact CG1-CD1 3.63Å; V61-I125 HydrophobicContact CG1-CG1 3.94Å; F62-I125 PolarHBondContact O-N 3.5Å; C63-I125 CarbonylContact C-O 3.58Å; C63-I125 WeakPolarHBondContact CA-O 3.49Å; V64-I125 PolarHBondContact N-O 2.8Å; V89-I125 WeakPolarHBondContact O-CA 3.34Å; M91-I125 HydrophobicContact CG-CG2 4.14Å; L123-I125 HydrophobicContact CD1-CG1 4.07Å; L123-I125 HydrophobicContact CD2-CD1 3.57Å; L123-I125 HydrophobicContact CD2-CG1 3.39Å; L123-I125 HydrophobicContact CG-CD1 4.38Å; L123-I125 HydrophobicContact CG-CG1 3.66Å; I125-Y128 HydrophobicContact CG2-CD1 4.39Å; I125-V142 HydrophobicContact CD1-CB 4.45Å; I125-V142 HydrophobicContact CD1-CG1 4.12Å; I125-V142 HydrophobicContact CD1-CG2 3.41Å; I125-V142 VanDerWaalsContact CD1-CG2 3.41Å
126	E	84.5	Confident	72.3	Confident	15 Å²	15	51.4 Å²	51.4	7%	0.07	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.7	176.6	-174.6	-159.2	164.9	0	0	111.2	K72 S73 H88 V89 S90 M91 Y128	K72-E126 HydrophobicContact CB-CG 4Å; S73-E126 WeakPolarHBondContact CA-OE1 3.32Å; S73-E126 VanDerWaalsContact CB-OE1 3.31Å; S73-E126 WeakPolarHBondContact CB-OE1 3.32Å; S73-E126 PolarHBondContact N-OE1 2.96Å; S73-E126 PolarHBondContact OG-OE1 3.13Å; H88-E126 IonicContact CE1-OE2 2.71Å; H88-E126 PolarHBondContact CE1-OE2 3.03Å; H88-E126 WeakPolarHBondContact NE2-CB 3.5Å; H88-E126 IonicContact NE2-OE2 3.29Å; H88-E126 PolarHBondContact NE2-OE2 2.93Å; V89-E126 PolarHBondContact O-N 3.43Å; S90-E126 VanDerWaalsContact CB-OE2 3.31Å; S90-E126 WeakPolarHBondContact CB-OE2 3.28Å; S90-E126 PolarHBondContact OG-OE2 2.87Å; M91-E126 PolarHBondContact N-O 3.17Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 2.74Å
127	G	76.7	Confident	73.3	Confident	22 Å²	22	53.4 Å²	53.4	23%	0.227	28%	0.282	C	S	.	.	S	Bend	trans	76.6	16.3	168.7	0	0	0	0	0	114.7	V64 R130	V64-G127 PolarHBondContact O-N 3.21Å; G127-R130 WeakPolarHBondContact O-CG 3.44Å
128	Y	77.9	Confident	73.9	Confident	8 Å²	8	49.9 Å²	49.9	3%	0.031	24%	0.244	C	C	.	.			trans	-146	140.3	176.6	-174.9	-88.9	0	0	0	110.6	C63 M91 I125 E126 E134 L138 L141 V142	C63-Y128 WeakPolarHBondContact CB-O 3.08Å; C63-Y128 PolarHBondContact SG-O 3.19Å; C63-Y128 VanDerWaalsContact SG-O 3.33Å; M91-Y128 VanDerWaalsContact CG-CB 3.49Å; M91-Y128 HydrophobicContact CG-CD2 4.46Å; M91-Y128 HydrophobicContact CG-CG 4.07Å; I125-Y128 HydrophobicContact CG2-CD1 4.39Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 2.74Å; Y128-E134 HydrophobicContact CD2-CB 4.46Å; Y128-E134 HydrophobicContact CD2-CG 4.49Å; Y128-E134 WeakPolarHBondContact CD2-OE2 3.25Å; Y128-E134 HydrophobicContact CE2-CB 3.64Å; Y128-E134 HydrophobicContact CE2-CG 3.64Å; Y128-E134 WeakPolarHBondContact CE2-OE2 3.49Å; Y128-E134 WeakPolarHBondContact OH-CB 3.48Å; Y128-E134 PolarHBondContact OH-O 3.08Å; Y128-L138 HydrophobicContact CD1-CD1 3.52Å; Y128-L138 HydrophobicContact CD1-CG 4.39Å; Y128-L138 HydrophobicContact CE1-CD1 3.16Å; Y128-L138 HydrophobicContact CE1-CG 3.78Å; Y128-L141 HydrophobicContact CE1-CB 4.39Å; Y128-L141 HydrophobicContact CE2-CD1 4.06Å; Y128-L141 WeakPolarHBondContact OH-CB 3.47Å; Y128-L141 WeakPolarHBondContact OH-CD1 3.41Å; Y128-V142 HydrophobicContact CE1-CG2 4.41Å
129	P	77.6	Confident	73.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.242	C	C	.	.			cis	-71.3	157.2	-0.9	30.5	-31.7	0	0	0	112.4	E134 A135 L138 M205 F209	P129-E134 HydrophobicContact CB-CB 3.85Å; P129-A135 HydrophobicContact CB-CB 3.89Å; P129-A135 HydrophobicContact CG-CB 3.78Å; P129-L138 HydrophobicContact CB-CD1 3.71Å; P129-L138 VanDerWaalsContact CD-CD1 3.48Å; P129-L138 HydrophobicContact CG-CD1 3.66Å; P129-M205 HydrophobicContact CG-CE 4.32Å; P129-M205 HydrophobicContact CG-CG 4.33Å; P129-M205 HydrophobicContact CG-SD 3.96Å; P129-M205 WeakPolarHBondContact O-CE 3.35Å; P129-F209 HydrophobicContact CG-CE2 3.94Å; P129-F209 HydrophobicContact CG-CZ 4.28Å
130	R	82	Confident	73.6	Confident	125 Å²	125	43.9 Å²	43.9	47%	0.472	23%	0.23	S	C	.	.			trans	-101.3	-22.9	177.9	-60.7	178.6	-67.8	-170.4	0.7	113	G127 E134 N201 T202	G127-R130 WeakPolarHBondContact O-CG 3.44Å; R130-E134 WeakPolarHBondContact CA-OE2 3.4Å; R130-E134 WeakPolarHBondContact CB-OE2 3.31Å; R130-E134 WeakPolarHBondContact CG-OE2 3.41Å; R130-E134 IonicContact CZ-OE1 3.27Å; R130-E134 VanDerWaalsContact CZ-OE1 3.29Å; R130-E134 PolarHBondContact N-OE2 3.36Å; R130-E134 IonicContact NE-OE1 3.64Å; R130-E134 PolarHBondContact NE-OE1 3Å; R130-E134 IonicContact NE-OE2 3.02Å; R130-E134 PolarHBondContact NE-OE2 3.13Å; R130-E134 IonicContact NH2-OE1 2.66Å; R130-E134 PolarHBondContact NH2-OE1 3.43Å; R130-N201 CarbonylContact O-C 3.58Å; R130-T202 WeakPolarHBondContact O-CA 3.35Å; R130-T202 WeakPolarHBondContact O-CB 3.32Å; R130-T202 PolarHBondContact O-N 2.95Å; R130-T202 PolarHBondContact O-OG1 2.71Å
131	D	84.9	Confident	72.9	Confident	41 Å²	41	45.8 Å²	45.8	22%	0.219	24%	0.242	C	C	.	.	S	Bend	trans	-146.8	179.7	179.7	59.6	50.4	0	0	0	111.6	E133 E134 A135 N201 M205	D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 WeakPolarHBondContact OD1-CA 3.34Å; D131-E133 WeakPolarHBondContact OD1-CB 3.09Å; D131-E133 PolarHBondContact OD1-N 2.88Å; D131-E134 WeakPolarHBondContact OD1-CB 3.39Å; D131-E134 PolarHBondContact OD1-N 3.2Å; D131-A135 VanDerWaalsContact O-CB 3.31Å; D131-A135 WeakPolarHBondContact O-CB 3.14Å; D131-A135 PolarHBondContact O-N 3.05Å; D131-N201 HydrophobicContact CB-CB 4.1Å; D131-M205 WeakPolarHBondContact O-CG 3.19Å
132	L	85.2	Confident	72.3	Confident	68 Å²	68	43.7 Å²	43.7	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-70.8	-29	-178	-77.9	168.9	0	0	0	113.2	A135 N136 M205 Y208	L132-A135 PolarHBondContact O-N 3.21Å; L132-N136 WeakPolarHBondContact O-CB 3.47Å; L132-N136 PolarHBondContact O-N 3Å; L132-N136 PolarHBondContact O-ND2 2.78Å; L132-M205 HydrophobicContact CD2-CB 4.29Å; L132-M205 HydrophobicContact CG-CB 4.19Å; L132-Y208 HydrophobicContact CD2-CD1 4.12Å; L132-Y208 HydrophobicContact CD2-CD2 4.18Å; L132-Y208 HydrophobicContact CD2-CG 3.74Å
133	E	83.6	Confident	71.1	Confident	142 Å²	142	43.2 Å²	43.2	66%	0.664	23%	0.231	S	C	*	.	H	α-helix	trans	-68.1	-52.6	178.2	-174.3	177.9	171.6	0	0	109.1	D131 A135 N136 D137	D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 WeakPolarHBondContact OD1-CA 3.34Å; D131-E133 WeakPolarHBondContact OD1-CB 3.09Å; D131-E133 PolarHBondContact OD1-N 2.88Å; E133-A135 PolarHBondContact O-N 3.42Å; E133-N136 PolarHBondContact O-N 3.29Å; E133-N136 VanDerWaalsContact O-N 3.08Å; E133-D137 PolarHBondContact O-N 2.99Å
134	E	79.2	Confident	69.7	Low	25 Å²	25	50.2 Å²	50.2	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-34.9	174.1	-72.7	-174.9	173.4	0	0	112.7	Y128 P129 R130 D131 D137 L138	Y128-E134 HydrophobicContact CD2-CB 4.46Å; Y128-E134 HydrophobicContact CD2-CG 4.49Å; Y128-E134 WeakPolarHBondContact CD2-OE2 3.25Å; Y128-E134 HydrophobicContact CE2-CB 3.64Å; Y128-E134 HydrophobicContact CE2-CG 3.64Å; Y128-E134 WeakPolarHBondContact CE2-OE2 3.49Å; Y128-E134 WeakPolarHBondContact OH-CB 3.48Å; Y128-E134 PolarHBondContact OH-O 3.08Å; P129-E134 HydrophobicContact CB-CB 3.85Å; R130-E134 WeakPolarHBondContact CA-OE2 3.4Å; R130-E134 WeakPolarHBondContact CB-OE2 3.31Å; R130-E134 WeakPolarHBondContact CG-OE2 3.41Å; R130-E134 IonicContact CZ-OE1 3.27Å; R130-E134 VanDerWaalsContact CZ-OE1 3.29Å; R130-E134 PolarHBondContact N-OE2 3.36Å; R130-E134 IonicContact NE-OE1 3.64Å; R130-E134 PolarHBondContact NE-OE1 3Å; R130-E134 IonicContact NE-OE2 3.02Å; R130-E134 PolarHBondContact NE-OE2 3.13Å; R130-E134 IonicContact NH2-OE1 2.66Å; R130-E134 PolarHBondContact NH2-OE1 3.43Å; D131-E134 WeakPolarHBondContact OD1-CB 3.39Å; D131-E134 PolarHBondContact OD1-N 3.2Å; E134-D137 CarbonylContact O-C 3.51Å; E134-L138 WeakPolarHBondContact O-CA 3.4Å; E134-L138 WeakPolarHBondContact O-CB 3.21Å; E134-L138 PolarHBondContact O-N 3.45Å
135	A	77.3	Confident	68.2	Low	9 Å²	9	51.4 Å²	51.4	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-70.6	-35.2	176.8	0	0	0	0	0	112.8	P129 D131 L132 E133 L138 M205 F209	P129-A135 HydrophobicContact CB-CB 3.89Å; P129-A135 HydrophobicContact CG-CB 3.78Å; D131-A135 VanDerWaalsContact O-CB 3.31Å; D131-A135 WeakPolarHBondContact O-CB 3.14Å; D131-A135 PolarHBondContact O-N 3.05Å; L132-A135 PolarHBondContact O-N 3.21Å; E133-A135 PolarHBondContact O-N 3.42Å; A135-L138 WeakPolarHBondContact O-CB 3.21Å; A135-M205 HydrophobicContact CB-CG 3.94Å; A135-F209 HydrophobicContact CB-CE2 3.92Å; A135-F209 HydrophobicContact CB-CZ 4Å
136	N	76.8	Confident	66.9	Low	94 Å²	94	51.3 Å²	51.3	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-74.7	-36.2	175.3	-71.7	-31.3	0	0	0	111.3	L132 E133 L138 Y208	L132-N136 WeakPolarHBondContact O-CB 3.47Å; L132-N136 PolarHBondContact O-N 3Å; L132-N136 PolarHBondContact O-ND2 2.78Å; E133-N136 PolarHBondContact O-N 3.29Å; E133-N136 VanDerWaalsContact O-N 3.08Å; N136-L138 VanDerWaalsContact C-N 3.26Å; N136-L138 PolarHBondContact O-N 3Å; N136-Y208 PolarHBondContact OD1-OH 3.06Å
137	D	71	Confident	65.1	Low	80 Å²	80	53.6 Å²	53.6	43%	0.428	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.3	176.9	-80.4	-9.4	0	0	0	113.7	E133 E134 S139 T140 L141	E133-D137 PolarHBondContact O-N 2.99Å; E134-D137 CarbonylContact O-C 3.51Å; D137-S139 PolarHBondContact O-N 3.08Å; D137-S139 VanDerWaalsContact O-N 3.13Å; D137-T140 WeakPolarHBondContact O-CA 3.44Å; D137-T140 VanDerWaalsContact O-CB 3.28Å; D137-T140 WeakPolarHBondContact O-CB 3.18Å; D137-T140 PolarHBondContact O-N 2.57Å; D137-T140 PolarHBondContact O-OG1 3.1Å; D137-L141 PolarHBondContact O-N 3.43Å
138	L	62.1	Low	63.8	Low	6 Å²	6	60.5 Å²	60.5	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-32.4	-172.7	-154.5	113.4	0	0	0	112.7	Y128 P129 E134 A135 N136 T140 V142 I157	Y128-L138 HydrophobicContact CD1-CD1 3.52Å; Y128-L138 HydrophobicContact CD1-CG 4.39Å; Y128-L138 HydrophobicContact CE1-CD1 3.16Å; Y128-L138 HydrophobicContact CE1-CG 3.78Å; P129-L138 HydrophobicContact CB-CD1 3.71Å; P129-L138 VanDerWaalsContact CD-CD1 3.48Å; P129-L138 HydrophobicContact CG-CD1 3.66Å; E134-L138 WeakPolarHBondContact O-CA 3.4Å; E134-L138 WeakPolarHBondContact O-CB 3.21Å; E134-L138 PolarHBondContact O-N 3.45Å; A135-L138 WeakPolarHBondContact O-CB 3.21Å; N136-L138 VanDerWaalsContact C-N 3.26Å; N136-L138 PolarHBondContact O-N 3Å; L138-T140 PolarHBondContact O-N 3.33Å; L138-V142 HydrophobicContact CD2-CG2 3.75Å; L138-V142 HydrophobicContact CG-CG2 3.78Å; L138-V142 VanDerWaalsContact O-CB 3.25Å; L138-V142 WeakPolarHBondContact O-CB 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.34Å; L138-V142 PolarHBondContact O-N 3.42Å; L138-I157 HydrophobicContact CB-CD1 4.29Å; L138-I157 HydrophobicContact CD1-CD1 3.98Å; L138-I157 HydrophobicContact CD2-CD1 3.24Å; L138-I157 HydrophobicContact CD2-CG1 3.17Å; L138-I157 HydrophobicContact CG-CD1 3.99Å; L138-I157 HydrophobicContact CG-CG1 4.38Å
139	S	50.7	Low	62.3	Low	69 Å²	69	60.4 Å²	60.4	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-31.8	172.8	54.4	0	0	0	0	112.5	D137 C143	D137-S139 PolarHBondContact O-N 3.08Å; D137-S139 VanDerWaalsContact O-N 3.13Å; S139-C143 WeakPolarHBondContact O-CB 3.09Å; S139-C143 PolarHBondContact O-N 3.18Å; S139-C143 PolarHBondContact O-SG 3.44Å
140	T	48	Very low	60.9	Low	91 Å²	91	61.7 Å²	61.7	56%	0.558	31%	0.312	S	S	*	.	H	α-helix	trans	-88	-46.3	-174.5	-36.6	0	0	0	0	110.8	D137 L138 C143 F144	D137-T140 WeakPolarHBondContact O-CA 3.44Å; D137-T140 VanDerWaalsContact O-CB 3.28Å; D137-T140 WeakPolarHBondContact O-CB 3.18Å; D137-T140 PolarHBondContact O-N 2.57Å; D137-T140 PolarHBondContact O-OG1 3.1Å; L138-T140 PolarHBondContact O-N 3.33Å; T140-C143 WeakPolarHBondContact O-CB 3.43Å; T140-C143 PolarHBondContact O-N 2.71Å; T140-F144 PolarHBondContact O-N 2.88Å
141	L	48.3	Very low	59.3	Low	73 Å²	73	64.3 Å²	64.3	38%	0.382	33%	0.33	S	S	.	.	H	α-helix	trans	-77.5	-41.6	-176.4	-117.8	166.4	0	0	0	112.7	Y128 D137 C143 F144 V145	Y128-L141 HydrophobicContact CE1-CB 4.39Å; Y128-L141 HydrophobicContact CE2-CD1 4.06Å; Y128-L141 WeakPolarHBondContact OH-CB 3.47Å; Y128-L141 WeakPolarHBondContact OH-CD1 3.41Å; D137-L141 PolarHBondContact O-N 3.43Å; L141-C143 VanDerWaalsContact C-N 3.28Å; L141-C143 PolarHBondContact O-N 3.09Å; L141-F144 WeakPolarHBondContact O-CB 3.4Å; L141-F144 PolarHBondContact O-N 2.9Å; L141-V145 PolarHBondContact O-N 3.43Å
142	V	49.6	Very low	57.6	Low	6 Å²	6	67.8 Å²	67.8	4%	0.036	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-41.4	170.2	178.8	0	0	0	0	108.8	L123 I125 Y128 L138 F144 V145 Y146 V154	L123-V142 HydrophobicContact CD2-CG1 4.39Å; I125-V142 HydrophobicContact CD1-CB 4.45Å; I125-V142 HydrophobicContact CD1-CG1 4.12Å; I125-V142 HydrophobicContact CD1-CG2 3.41Å; I125-V142 VanDerWaalsContact CD1-CG2 3.41Å; Y128-V142 HydrophobicContact CE1-CG2 4.41Å; L138-V142 HydrophobicContact CD2-CG2 3.75Å; L138-V142 HydrophobicContact CG-CG2 3.78Å; L138-V142 VanDerWaalsContact O-CB 3.25Å; L138-V142 WeakPolarHBondContact O-CB 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.34Å; L138-V142 PolarHBondContact O-N 3.42Å; V142-F144 PolarHBondContact O-N 3.47Å; V142-F144 VanDerWaalsContact O-N 3.15Å; V142-V145 PolarHBondContact O-N 3.15Å; V142-Y146 HydrophobicContact CG1-CD2 3.69Å; V142-Y146 HydrophobicContact CG1-CG 3.8Å; V142-Y146 WeakPolarHBondContact O-CA 3.26Å; V142-Y146 WeakPolarHBondContact O-CB 3.04Å; V142-Y146 PolarHBondContact O-N 3.32Å; V142-V154 HydrophobicContact CB-CB 4.37Å; V142-V154 HydrophobicContact CG1-CB 3.63Å; V142-V154 HydrophobicContact CG1-CG1 3.94Å; V142-V154 HydrophobicContact CG1-CG2 3.46Å; V142-V154 VanDerWaalsContact CG1-CG2 3.46Å
143	C	45.3	Very low	55.9	Low	22 Å²	22	72.3 Å²	72.3	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-53.3	-35.4	170.3	-92.3	0	0	0	0	113.4	S139 T140 L141 S147 K153	S139-C143 WeakPolarHBondContact O-CB 3.09Å; S139-C143 PolarHBondContact O-N 3.18Å; S139-C143 PolarHBondContact O-SG 3.44Å; T140-C143 WeakPolarHBondContact O-CB 3.43Å; T140-C143 PolarHBondContact O-N 2.71Å; L141-C143 VanDerWaalsContact C-N 3.28Å; L141-C143 PolarHBondContact O-N 3.09Å; C143-S147 VanDerWaalsContact O-CA 3.3Å; C143-S147 WeakPolarHBondContact O-CA 3.47Å; C143-S147 WeakPolarHBondContact O-CB 3.48Å; C143-S147 PolarHBondContact O-N 2.98Å; C143-K153 VanDerWaalsContact SG-CA 3.59Å; C143-K153 VanDerWaalsContact SG-CB 3.54Å; C143-K153 VanDerWaalsContact SG-CG 3.53Å
144	F	46.1	Very low	54.5	Low	149 Å²	149	66 Å²	66	65%	0.654	33%	0.331	S	S	*	.	H	α-helix	trans	-69.5	-46.6	-177.3	-154.8	-91	0	0	0	112.4	T140 L141 V142	T140-F144 PolarHBondContact O-N 2.88Å; L141-F144 WeakPolarHBondContact O-CB 3.4Å; L141-F144 PolarHBondContact O-N 2.9Å; V142-F144 PolarHBondContact O-N 3.47Å; V142-F144 VanDerWaalsContact O-N 3.15Å
145	V	47	Very low	53.3	Low	28 Å²	28	73 Å²	73	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-73.8	-44.3	176.5	-179.4	0	0	0	0	110.5	L94 L112 L141 V142 R148 I149	L94-V145 HydrophobicContact CD1-CG1 3.75Å; L94-V145 HydrophobicContact CD1-CG2 4.3Å; L112-V145 HydrophobicContact CD2-CG1 4.49Å; L141-V145 PolarHBondContact O-N 3.43Å; V142-V145 PolarHBondContact O-N 3.15Å; V145-R148 PolarHBondContact O-N 3.2Å; V145-I149 HydrophobicContact CG1-CD1 3.93Å; V145-I149 WeakPolarHBondContact O-CG1 3.23Å; V145-I149 PolarHBondContact O-N 3.31Å
146	Y	51.2	Low	52.7	Low	4 Å²	4	77.8 Å²	77.8	2%	0.016	39%	0.385	C	S	.	.	H	α-helix	trans	-73.2	-35.4	-179	-98.7	-116	0	0	0	114.8	V89 L123 V142 R148 I149 L150 V154	V89-Y146 HydrophobicContact CG2-CE2 4.26Å; L123-Y146 HydrophobicContact CB-CE1 4.27Å; L123-Y146 WeakPolarHBondContact CB-OH 3.4Å; L123-Y146 HydrophobicContact CD1-CE2 3.61Å; L123-Y146 VanDerWaalsContact CD1-CZ 3.49Å; L123-Y146 WeakPolarHBondContact CD1-OH 3.47Å; L123-Y146 HydrophobicContact CD2-CD1 4.39Å; L123-Y146 HydrophobicContact CD2-CD2 3.78Å; L123-Y146 HydrophobicContact CD2-CE1 3.71Å; L123-Y146 HydrophobicContact CD2-CE2 3.03Å; L123-Y146 HydrophobicContact CD2-CG 4.44Å; L123-Y146 VanDerWaalsContact CD2-OH 3.3Å; L123-Y146 WeakPolarHBondContact CD2-OH 3.45Å; L123-Y146 HydrophobicContact CG-CE1 4.35Å; L123-Y146 HydrophobicContact CG-CE2 3.77Å; L123-Y146 VanDerWaalsContact CG-CZ 3.5Å; L123-Y146 WeakPolarHBondContact CG-OH 3.45Å; V142-Y146 HydrophobicContact CG1-CD2 3.69Å; V142-Y146 HydrophobicContact CG1-CG 3.8Å; V142-Y146 WeakPolarHBondContact O-CA 3.26Å; V142-Y146 WeakPolarHBondContact O-CB 3.04Å; V142-Y146 PolarHBondContact O-N 3.32Å; Y146-R148 PolarHBondContact O-N 3.3Å; Y146-I149 PolarHBondContact O-N 3.22Å; Y146-I149 VanDerWaalsContact O-N 3.08Å; Y146-L150 HydrophobicContact CD1-CD1 3.89Å; Y146-L150 HydrophobicContact CD1-CG 4.45Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.28Å; Y146-L150 PolarHBondContact O-N 3.38Å; Y146-V154 HydrophobicContact CD1-CG2 3.35Å; Y146-V154 HydrophobicContact CE1-CG2 4.06Å; Y146-V154 HydrophobicContact CG-CG2 3.67Å
147	S	47.7	Very low	52.6	Low	63 Å²	63	74.4 Å²	74.4	44%	0.441	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-23.5	177.9	-172.7	0	0	0	0	110.7	C143	C143-S147 VanDerWaalsContact O-CA 3.3Å; C143-S147 WeakPolarHBondContact O-CA 3.47Å; C143-S147 WeakPolarHBondContact O-CB 3.48Å; C143-S147 PolarHBondContact O-N 2.98Å
148	R	48.4	Very low	52.8	Low	167 Å²	167	74 Å²	74	63%	0.63	36%	0.361	S	S	*	.	H	α-helix	trans	-77.7	-33.9	170.7	-71.9	-135.3	157.4	153.6	-2.9	113.1	V145 Y146	V145-R148 PolarHBondContact O-N 3.2Å; Y146-R148 PolarHBondContact O-N 3.3Å
149	I	46.8	Very low	53.8	Low	5 Å²	5	73.8 Å²	73.8	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-84.5	-47.1	-178.1	-59.3	166.5	0	0	0	112.1	L112 L115 A116 V145 Y146	L112-I149 HydrophobicContact CB-CG1 4.27Å; L112-I149 HydrophobicContact CD2-CD1 3.51Å; L112-I149 HydrophobicContact CD2-CG1 3.32Å; L112-I149 HydrophobicContact CG-CG1 4.39Å; L115-I149 HydrophobicContact CB-CG2 3.31Å; L115-I149 HydrophobicContact CD1-CD1 4.18Å; A116-I149 WeakPolarHBondContact CA-O 3.3Å; A116-I149 WeakPolarHBondContact CB-O 2.81Å; V145-I149 HydrophobicContact CG1-CD1 3.93Å; V145-I149 WeakPolarHBondContact O-CG1 3.23Å; V145-I149 PolarHBondContact O-N 3.31Å; Y146-I149 PolarHBondContact O-N 3.22Å; Y146-I149 VanDerWaalsContact O-N 3.08Å
150	L	47.2	Very low	55.4	Low	28 Å²	28	70.5 Å²	70.5	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-122.7	7.3	-166.7	-64.2	-177.8	0	0	0	114.6	Y120 Y146 K152	Y120-L150 HydrophobicContact CD2-CD1 4.49Å; Y120-L150 HydrophobicContact CD2-CD2 4.12Å; Y146-L150 HydrophobicContact CD1-CD1 3.89Å; Y146-L150 HydrophobicContact CD1-CG 4.45Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.28Å; Y146-L150 PolarHBondContact O-N 3.38Å; L150-K152 WeakPolarHBondContact O-CB 3.44Å; L150-K152 VanDerWaalsContact O-CG 3.29Å; L150-K152 WeakPolarHBondContact O-CG 3.37Å; L150-K152 PolarHBondContact O-N 3.42Å
151	E	49.5	Very low	57.2	Low	181 Å²	181	66.2 Å²	66.2	85%	0.846	31%	0.311	S	S	*	.	S	Bend	trans	52	12.3	-173.9	-62.1	-172.3	162.2	0	0	114.6
152	K	49.3	Very low	59.1	Low	113 Å²	113	63.6 Å²	63.6	49%	0.491	30%	0.297	S	S	.	.	S	Bend	trans	-124.2	133.5	-168.9	-75.3	173.6	-174.4	174.5	0	110.5	L150 V154	L150-K152 WeakPolarHBondContact O-CB 3.44Å; L150-K152 VanDerWaalsContact O-CG 3.29Å; L150-K152 WeakPolarHBondContact O-CG 3.37Å; L150-K152 PolarHBondContact O-N 3.42Å; K152-V154 PolarHBondContact O-N 2.85Å
153	K	49.3	Very low	60.9	Low	163 Å²	163	63.4 Å²	63.4	71%	0.709	30%	0.296	S	S	*	.			trans	-71	119.3	173.5	-63.5	-165.3	176.2	-177.7	0	109.7	C143 K155	C143-K153 VanDerWaalsContact SG-CA 3.59Å; C143-K153 VanDerWaalsContact SG-CB 3.54Å; C143-K153 VanDerWaalsContact SG-CG 3.53Å; K153-K155 PolarHBondContact O-N 2.83Å
154	V	53.9	Low	62.8	Low	9 Å²	9	65.2 Å²	65.2	6%	0.055	30%	0.304	C	S	.	.			trans	-65.2	120.5	165.4	167.9	0	0	0	0	107.9	V61 V142 Y146 K152	V61-V154 HydrophobicContact CB-CG1 4.25Å; V61-V154 HydrophobicContact CG2-CB 4.26Å; V61-V154 HydrophobicContact CG2-CG1 3.37Å; V61-V154 HydrophobicContact CG2-CG2 3.87Å; V142-V154 HydrophobicContact CB-CB 4.37Å; V142-V154 HydrophobicContact CG1-CB 3.63Å; V142-V154 HydrophobicContact CG1-CG1 3.94Å; V142-V154 HydrophobicContact CG1-CG2 3.46Å; V142-V154 VanDerWaalsContact CG1-CG2 3.46Å; Y146-V154 HydrophobicContact CD1-CG2 3.35Å; Y146-V154 HydrophobicContact CE1-CG2 4.06Å; Y146-V154 HydrophobicContact CG-CG2 3.67Å; K152-V154 PolarHBondContact O-N 2.85Å
155	K	53.7	Low	64.7	Low	173 Å²	173	59.2 Å²	59.2	75%	0.752	28%	0.281	S	S	*	.			trans	-94.3	-31.2	-174.4	-73.8	-171.7	177.5	-177.6	0	114.2	K153	K153-K155 PolarHBondContact O-N 2.83Å
156	N	66	Low	66.6	Low	110 Å²	110	61.4 Å²	61.4	59%	0.588	29%	0.294	S	S	*	.			trans	-158	134.5	-176.1	-74.7	-55.5	0	0	0	112.7	K158	N156-K158 PolarHBondContact O-N 3.26Å
157	I	73.6	Confident	68.5	Low	22 Å²	22	64.9 Å²	64.9	11%	0.113	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.9	161.2	-56.1	170.2	0	0	0	107.6	L138 V160 F209	L138-I157 HydrophobicContact CB-CD1 4.29Å; L138-I157 HydrophobicContact CD1-CD1 3.98Å; L138-I157 HydrophobicContact CD2-CD1 3.24Å; L138-I157 HydrophobicContact CD2-CG1 3.17Å; L138-I157 HydrophobicContact CG-CD1 3.99Å; L138-I157 HydrophobicContact CG-CG1 4.38Å; I157-V160 HydrophobicContact CG2-CG2 3.84Å; I157-F209 HydrophobicContact CD1-CE1 3.63Å; I157-F209 HydrophobicContact CD1-CZ 3.47Å; I157-F209 VanDerWaalsContact CD1-CZ 3.47Å; I157-F209 HydrophobicContact CG2-CE1 4.37Å
158	K	76.3	Confident	70.5	Confident	71 Å²	71	68.1 Å²	68.1	31%	0.309	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-25.7	174.9	-67.9	-60.9	-170.7	177.1	0	112.9	V60 V61 N156 L214	V60-K158 HydrophobicContact CB-CG 4.37Å; V60-K158 HydrophobicContact CG1-CB 3.65Å; V60-K158 HydrophobicContact CG1-CG 3.61Å; V60-K158 HydrophobicContact CG2-CG 4.24Å; V61-K158 PolarHBondContact O-N 2.72Å; V61-K158 VanDerWaalsContact O-N 3.08Å; N156-K158 PolarHBondContact O-N 3.26Å; K158-L214 VanDerWaalsContact O-CD2 3.26Å; K158-L214 WeakPolarHBondContact O-CD2 3.19Å
159	M	81.7	Confident	72.5	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	143.9	-177.4	168.9	-174.7	-59.1	0	0	110.5	F62 C63 I161 L214 R216	F62-M159 WeakPolarHBondContact CA-O 3.31Å; F62-M159 HydrophobicContact CD1-CB 3.68Å; F62-M159 HydrophobicContact CD1-CG 4.02Å; F62-M159 HydrophobicContact CD1-SD 3.84Å; F62-M159 HydrophobicContact CE1-CB 3.89Å; F62-M159 HydrophobicContact CE1-CE 4.26Å; F62-M159 HydrophobicContact CE1-CG 4.33Å; F62-M159 HydrophobicContact CE1-SD 3.77Å; C63-M159 PolarHBondContact N-O 2.77Å; M159-I161 HydrophobicContact CG-CG1 4.1Å; M159-I161 HydrophobicContact SD-CD1 4.37Å; M159-I161 HydrophobicContact SD-CG1 4.07Å; M159-L214 WeakPolarHBondContact CA-O 3.37Å; M159-R216 HydrophobicContact CE-CG 3.9Å; M159-R216 HydrophobicContact CG-CB 4.14Å; M159-R216 HydrophobicContact CG-CG 3.77Å; M159-R216 HydrophobicContact SD-CB 4.31Å; M159-R216 HydrophobicContact SD-CG 3.77Å
160	V	85	Confident	74.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.9	170	-177.4	0	0	0	0	107.2	C63 I157 L206 F209 L214 L215 R216	C63-V160 HydrophobicContact CB-CB 4.5Å; C63-V160 HydrophobicContact CB-CG1 4.21Å; C63-V160 HydrophobicContact CB-CG2 4.13Å; C63-V160 CarbonylContact O-C 3.55Å; C63-V160 WeakPolarHBondContact O-CA 3.38Å; I157-V160 HydrophobicContact CG2-CG2 3.84Å; V160-L206 HydrophobicContact CG1-CD2 3.71Å; V160-F209 HydrophobicContact CB-CB 4.36Å; V160-F209 HydrophobicContact CB-CD2 4.49Å; V160-F209 HydrophobicContact CB-CG 4.27Å; V160-F209 HydrophobicContact CG2-CB 4.14Å; V160-F209 HydrophobicContact CG2-CD1 3.62Å; V160-F209 HydrophobicContact CG2-CD2 3.77Å; V160-F209 HydrophobicContact CG2-CE1 3.91Å; V160-F209 HydrophobicContact CG2-CE2 4.04Å; V160-F209 HydrophobicContact CG2-CG 3.56Å; V160-F209 HydrophobicContact CG2-CZ 4.1Å; V160-L214 PolarHBondContact N-O 3.41Å; V160-L215 HydrophobicContact CB-CD1 4.1Å; V160-L215 HydrophobicContact CG1-CD1 3.97Å; V160-L215 CarbonylContact O-C 3.56Å; V160-L215 WeakPolarHBondContact O-CA 3.35Å; V160-R216 WeakPolarHBondContact O-CB 3.4Å; V160-R216 PolarHBondContact O-N 3.24Å
161	I	86.4	Confident	76.6	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.4	178.4	-55.7	169.9	0	0	0	107.6	C63 S65 M159 R216 V218 F227 V231	C63-I161 PolarHBondContact O-N 3.08Å; S65-I161 PolarHBondContact N-O 3.16Å; M159-I161 HydrophobicContact CG-CG1 4.1Å; M159-I161 HydrophobicContact SD-CD1 4.37Å; M159-I161 HydrophobicContact SD-CG1 4.07Å; I161-R216 CarbonylContact C-O 3.58Å; I161-R216 VanDerWaalsContact CA-O 3.31Å; I161-R216 WeakPolarHBondContact CA-O 3.3Å; I161-R216 HydrophobicContact CG1-CB 4.46Å; I161-V218 HydrophobicContact CG2-CG2 3.81Å; I161-F227 HydrophobicContact CB-CZ 4.5Å; I161-F227 HydrophobicContact CD1-CE1 3.96Å; I161-F227 HydrophobicContact CD1-CZ 4.13Å; I161-F227 HydrophobicContact CG2-CE1 4.26Å; I161-F227 HydrophobicContact CG2-CE2 3.96Å; I161-F227 HydrophobicContact CG2-CZ 3.59Å; I161-V231 HydrophobicContact CD1-CG2 3.74Å
162	L	88.2	Confident	78.6	Confident	18 Å²	18	55.9 Å²	55.9	9%	0.094	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.2	168.8	169.4	59.8	0	0	0	109.1	S65 D164 F198 L206 L215 R216 L217 V218	S65-L162 WeakPolarHBondContact O-CA 3.49Å; L162-D164 PolarHBondContact O-N 2.92Å; L162-F198 HydrophobicContact CD1-CZ 4.07Å; L162-L206 HydrophobicContact CD1-CD1 3.78Å; L162-L206 HydrophobicContact CD2-CD1 4.1Å; L162-L206 HydrophobicContact CG-CD1 4.35Å; L162-L215 HydrophobicContact CB-CD1 3.97Å; L162-R216 PolarHBondContact N-O 2.97Å; L162-L217 HydrophobicContact CB-CD2 4.38Å; L162-L217 HydrophobicContact CD2-CD2 3.58Å; L162-L217 HydrophobicContact CD2-CG 4.49Å; L162-L217 HydrophobicContact CG-CD2 4.06Å; L162-V218 PolarHBondContact O-N 3.45Å
163	I	87	Confident	80.5	Confident	2 Å²	2	52 Å²	52	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	106.3	165.2	-62.3	161.3	0	0	0	108.2	V64 S65 S70 K72 Y75 V218 V220 F227	V64-I163 HydrophobicContact CG1-CD1 3.71Å; V64-I163 HydrophobicContact CG1-CG1 4.37Å; S65-I163 PolarHBondContact O-N 3.32Å; S70-I163 WeakPolarHBondContact O-CG2 3.09Å; K72-I163 HydrophobicContact CB-CD1 4.17Å; K72-I163 HydrophobicContact CG-CD1 4.09Å; Y75-I163 HydrophobicContact CD2-CD1 3.47Å; Y75-I163 VanDerWaalsContact CD2-CD1 3.47Å; Y75-I163 HydrophobicContact CD2-CG1 4.22Å; Y75-I163 HydrophobicContact CD2-CG2 4.47Å; Y75-I163 HydrophobicContact CE2-CD1 4.15Å; Y75-I163 HydrophobicContact CE2-CG2 4.06Å; Y75-I163 HydrophobicContact CG-CD1 4.02Å; I163-V218 CarbonylContact C-O 3.5Å; I163-V218 WeakPolarHBondContact CA-O 3.27Å; I163-V220 HydrophobicContact CG2-CG2 3.33Å; I163-F227 HydrophobicContact CD1-CE2 4.32Å; I163-F227 HydrophobicContact CG1-CE2 3.9Å
164	D	84.7	Confident	82.3	Confident	61 Å²	61	44.8 Å²	44.8	33%	0.326	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.7	-179.3	-171.9	24.5	0	0	0	110	L162 L217 V218 R219 V220	L162-D164 PolarHBondContact O-N 2.92Å; D164-L217 HydrophobicContact CB-CD2 3.93Å; D164-V218 PolarHBondContact N-O 3.07Å; D164-R219 HydrophobicContact CB-CG 4.05Å; D164-R219 IonicContact OD2-NE 3.6Å; D164-V220 PolarHBondContact O-N 2.79Å
165	C	85	Confident	84.1	Confident	23 Å²	23	48.1 Å²	48.1	16%	0.155	24%	0.24	C	C	.	.			trans	-134.8	150.9	-179.5	-63.8	0	0	0	0	109.5	S70 F169 C170 V220	S70-C165 WeakPolarHBondContact CB-SG 3.07Å; C165-F169 HydrophobicContact CB-CD1 3.99Å; C165-C170 WeakPolarHBondContact CB-SG 3.39Å; C165-V220 WeakPolarHBondContact SG-CG2 3.42Å
166	T	88.3	Confident	85.8	Confident	73 Å²	73	44 Å²	44	45%	0.448	23%	0.233	S	C	.	.			trans	-67.9	147.8	168.5	66.1	0	0	0	0	110.5	K168 F169 C170	T166-K168 VanDerWaalsContact C-N 3.35Å; T166-K168 PolarHBondContact O-N 3.13Å; T166-F169 WeakPolarHBondContact O-CB 3.34Å; T166-F169 PolarHBondContact O-N 2.98Å; T166-F169 WeakPolarHBondContact OG1-CB 3.45Å; T166-F169 PolarHBondContact OG1-N 2.79Å; T166-C170 PolarHBondContact O-N 3.39Å; T166-C170 VanDerWaalsContact O-N 3.08Å
167	E	90.9	Very high	86.7	Confident	78 Å²	78	46.7 Å²	46.7	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-56.9	-48.4	177.3	-179.1	166.5	-166.2	0	0	111.1	F169 C170 E171 I195 K199	E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 2.9Å; E167-C170 WeakPolarHBondContact O-CB 3.42Å; E167-C170 PolarHBondContact O-N 3.34Å; E167-C170 VanDerWaalsContact O-N 3.08Å; E167-E171 HydrophobicContact CG-CG 4.22Å; E167-E171 WeakPolarHBondContact CG-OE1 3.45Å; E167-E171 VanDerWaalsContact O-CG 3.28Å; E167-E171 WeakPolarHBondContact O-CG 3.44Å; E167-E171 PolarHBondContact O-N 3.49Å; E167-I195 HydrophobicContact CG-CG2 4.01Å; E167-I195 WeakPolarHBondContact OE1-CG2 3.49Å; E167-K199 IonicContact OE1-NZ 2.98Å; E167-K199 PolarHBondContact OE1-NZ 2.87Å; E167-K199 WeakPolarHBondContact OE2-CE 3.43Å; E167-K199 IonicContact OE2-NZ 3.39Å; E167-K199 PolarHBondContact OE2-NZ 3.38Å
168	K	90.4	Very high	87.4	Confident	130 Å²	130	46.7 Å²	46.7	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-52.6	-43.3	175.4	-73.1	-173.8	179.1	-178.6	0	113.5	E34 T166 E171 G172	E34-K168 IonicContact OE1-NZ 2.66Å; E34-K168 PolarHBondContact OE1-NZ 2.86Å; E34-K168 IonicContact OE2-NZ 2.68Å; E34-K168 PolarHBondContact OE2-NZ 3.43Å; T166-K168 VanDerWaalsContact C-N 3.35Å; T166-K168 PolarHBondContact O-N 3.13Å; K168-E171 PolarHBondContact O-N 3.24Å; K168-G172 PolarHBondContact O-N 3.07Å
169	F	88.5	Confident	87.8	Confident	42 Å²	42	48.1 Å²	48.1	18%	0.184	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-47	178.7	176.4	-95.7	0	0	0	111	F71 C165 T166 E167 G172 N173 V220	F71-F169 HydrophobicContact CD2-CE1 4.16Å; F71-F169 AromaticContact CD2-CZ 3.97Å; F71-F169 HydrophobicContact CD2-CZ 3.97Å; F71-F169 HydrophobicContact CE2-CE1 4.12Å; F71-F169 AromaticContact CE2-CZ 3.61Å; F71-F169 HydrophobicContact CE2-CZ 3.61Å; C165-F169 HydrophobicContact CB-CD1 3.99Å; T166-F169 WeakPolarHBondContact O-CB 3.34Å; T166-F169 PolarHBondContact O-N 2.98Å; T166-F169 WeakPolarHBondContact OG1-CB 3.45Å; T166-F169 PolarHBondContact OG1-N 2.79Å; E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 2.9Å; F169-G172 PolarHBondContact O-N 3.17Å; F169-N173 WeakPolarHBondContact CD1-ND2 3.49Å; F169-N173 WeakPolarHBondContact CE1-ND2 3.2Å; F169-N173 VanDerWaalsContact CZ-ND2 3.26Å; F169-N173 WeakPolarHBondContact CZ-ND2 3.49Å; F169-N173 VanDerWaalsContact O-CG 3.27Å; F169-N173 PolarHBondContact O-N 2.99Å; F169-N173 PolarHBondContact O-ND2 3.26Å; F169-V220 HydrophobicContact CE1-CG1 4.11Å; F169-V220 HydrophobicContact CZ-CG1 3.98Å
170	C	89.7	Confident	88.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-47.8	175.7	-79.6	0	0	0	0	112.4	A67 P68 C165 T166 E167 N173 V174 I195	A67-C170 HydrophobicContact CB-CB 4.28Å; A67-C170 VanDerWaalsContact CB-SG 3.6Å; P68-C170 WeakPolarHBondContact O-CB 3.43Å; P68-C170 PolarHBondContact O-SG 2.66Å; C165-C170 WeakPolarHBondContact CB-SG 3.39Å; T166-C170 PolarHBondContact O-N 3.39Å; T166-C170 VanDerWaalsContact O-N 3.08Å; E167-C170 WeakPolarHBondContact O-CB 3.42Å; E167-C170 PolarHBondContact O-N 3.34Å; E167-C170 VanDerWaalsContact O-N 3.08Å; C170-N173 PolarHBondContact O-N 3.3Å; C170-V174 WeakPolarHBondContact O-CG2 3.46Å; C170-V174 PolarHBondContact O-N 2.68Å; C170-I195 HydrophobicContact CB-CD1 4.1Å
171	E	91.3	Very high	88.2	Confident	49 Å²	49	59.5 Å²	59.5	23%	0.229	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-46.9	177.2	-67.8	-177.6	171.9	0	0	111.9	E167 K168 N173 V174 R175 V191 I195	E167-E171 HydrophobicContact CG-CG 4.22Å; E167-E171 WeakPolarHBondContact CG-OE1 3.45Å; E167-E171 VanDerWaalsContact O-CG 3.28Å; E167-E171 WeakPolarHBondContact O-CG 3.44Å; E167-E171 PolarHBondContact O-N 3.49Å; K168-E171 PolarHBondContact O-N 3.24Å; E171-N173 VanDerWaalsContact C-N 3.31Å; E171-N173 PolarHBondContact O-N 2.91Å; E171-V174 PolarHBondContact O-N 2.89Å; E171-R175 VanDerWaalsContact O-CB 3.3Å; E171-R175 WeakPolarHBondContact O-CB 3.48Å; E171-R175 PolarHBondContact O-N 3.43Å; E171-V191 HydrophobicContact CB-CG1 3.84Å; E171-V191 HydrophobicContact CG-CG1 3.52Å; E171-I195 HydrophobicContact CG-CG1 4.3Å
172	G	91	Very high	88.2	Confident	34 Å²	34	64.9 Å²	64.9	35%	0.351	34%	0.34	S	S	.	.	H	α-helix	trans	-57.2	-44.4	177	0	0	0	0	0	112.1	K168 F169 R175 S176	K168-G172 PolarHBondContact O-N 3.07Å; F169-G172 PolarHBondContact O-N 3.17Å; G172-R175 PolarHBondContact O-N 2.95Å; G172-S176 VanDerWaalsContact O-CB 3.31Å; G172-S176 WeakPolarHBondContact O-CB 3.13Å; G172-S176 PolarHBondContact O-N 3.42Å
173	N	89.1	Confident	88.2	Confident	30 Å²	30	66.8 Å²	66.8	16%	0.16	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-40.5	178.7	-69.9	-22.4	0	0	0	112.8	G69 F71 F169 C170 E171 K177	G69-N173 WeakPolarHBondContact O-CB 3.27Å; G69-N173 PolarHBondContact O-ND2 2.82Å; F71-N173 HydrophobicContact CE1-CB 4.17Å; F71-N173 WeakPolarHBondContact CE2-ND2 3.48Å; F71-N173 HydrophobicContact CZ-CB 4.22Å; F71-N173 VanDerWaalsContact CZ-CG 3.4Å; F71-N173 WeakPolarHBondContact CZ-ND2 3.47Å; F71-N173 WeakPolarHBondContact CZ-OD1 3.37Å; F169-N173 WeakPolarHBondContact CD1-ND2 3.49Å; F169-N173 WeakPolarHBondContact CE1-ND2 3.2Å; F169-N173 VanDerWaalsContact CZ-ND2 3.26Å; F169-N173 WeakPolarHBondContact CZ-ND2 3.49Å; F169-N173 VanDerWaalsContact O-CG 3.27Å; F169-N173 PolarHBondContact O-N 2.99Å; F169-N173 PolarHBondContact O-ND2 3.26Å; C170-N173 PolarHBondContact O-N 3.3Å; E171-N173 VanDerWaalsContact C-N 3.31Å; E171-N173 PolarHBondContact O-N 2.91Å; N173-K177 WeakPolarHBondContact O-CB 3.39Å; N173-K177 PolarHBondContact O-N 3.05Å; N173-K177 VanDerWaalsContact O-N 3.08Å
174	V	87.8	Confident	88.3	Confident	13 Å²	13	70 Å²	70	8%	0.079	38%	0.377	C	S	.	.	H	α-helix	trans	-66.9	-45	175.9	178.7	0	0	0	0	110.5	P68 C170 E171 K177 M178 Y190 V191	P68-V174 HydrophobicContact CB-CG2 3.88Å; C170-V174 WeakPolarHBondContact O-CG2 3.46Å; C170-V174 PolarHBondContact O-N 2.68Å; E171-V174 PolarHBondContact O-N 2.89Å; V174-K177 PolarHBondContact O-N 2.9Å; V174-M178 HydrophobicContact CG1-CE 4.26Å; V174-M178 HydrophobicContact CG1-CG 4.49Å; V174-M178 HydrophobicContact CG1-SD 4.19Å; V174-M178 WeakPolarHBondContact O-CG 3.21Å; V174-M178 PolarHBondContact O-N 2.97Å; V174-Y190 HydrophobicContact CG1-CD1 4.11Å; V174-Y190 HydrophobicContact CG1-CE1 3.91Å; V174-V191 HydrophobicContact CB-CG2 3.98Å; V174-V191 HydrophobicContact CG1-CG2 3.6Å
175	R	91.1	Very high	88.6	Confident	78 Å²	78	73 Å²	73	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-60.4	-48.8	178.2	-173.1	175.9	-69.1	112.4	-9	110.7	E171 G172 K177 M178 N179 I187 D188	E171-R175 VanDerWaalsContact O-CB 3.3Å; E171-R175 WeakPolarHBondContact O-CB 3.48Å; E171-R175 PolarHBondContact O-N 3.43Å; G172-R175 PolarHBondContact O-N 2.95Å; R175-K177 VanDerWaalsContact C-N 3.27Å; R175-K177 PolarHBondContact O-N 3.48Å; R175-M178 PolarHBondContact O-N 3.36Å; R175-N179 WeakPolarHBondContact CG-OD1 3.2Å; R175-N179 PolarHBondContact O-N 2.93Å; R175-N179 PolarHBondContact O-OD1 2.8Å; R175-N179 VanDerWaalsContact O-OD1 3.06Å; R175-I187 HydrophobicContact CB-CG2 4.04Å; R175-I187 HydrophobicContact CG-CG2 3.84Å; R175-D188 IonicContact CZ-OD1 3.36Å; R175-D188 VanDerWaalsContact CZ-OD1 3.27Å; R175-D188 IonicContact NE-OD1 3.07Å; R175-D188 PolarHBondContact NE-OD1 2.71Å; R175-D188 IonicContact NH2-OD1 2.93Å; R175-D188 PolarHBondContact NH2-OD1 2.74Å
176	S	89.3	Confident	88.8	Confident	88 Å²	88	77 Å²	77	62%	0.615	41%	0.41	S	S	*	.	H	α-helix	trans	-57.5	-37.8	175.8	-175.5	0	0	0	0	112.9	G172 M178	G172-S176 VanDerWaalsContact O-CB 3.31Å; G172-S176 WeakPolarHBondContact O-CB 3.13Å; G172-S176 PolarHBondContact O-N 3.42Å; S176-M178 VanDerWaalsContact C-N 3.34Å
177	K	86.3	Confident	88.9	Confident	165 Å²	165	73.6 Å²	73.6	72%	0.717	39%	0.389	S	S	*	.	H	α-helix	trans	-70.4	-29.4	177.5	-174.3	175.9	179.6	179.5	0	112.7	N173 V174 R175	N173-K177 WeakPolarHBondContact O-CB 3.39Å; N173-K177 PolarHBondContact O-N 3.05Å; N173-K177 VanDerWaalsContact O-N 3.08Å; V174-K177 PolarHBondContact O-N 2.9Å; R175-K177 VanDerWaalsContact C-N 3.27Å; R175-K177 PolarHBondContact O-N 3.48Å
178	M	86.4	Confident	89	Confident	23 Å²	23	72.9 Å²	72.9	11%	0.113	39%	0.387	C	S	.	.	H	α-helix	trans	-102.3	-10	-173.5	-65.4	-163.7	174	0	0	114.9	V174 R175 S176 S180 L181 R182 I187 Y190	V174-M178 HydrophobicContact CG1-CE 4.26Å; V174-M178 HydrophobicContact CG1-CG 4.49Å; V174-M178 HydrophobicContact CG1-SD 4.19Å; V174-M178 WeakPolarHBondContact O-CG 3.21Å; V174-M178 PolarHBondContact O-N 2.97Å; R175-M178 PolarHBondContact O-N 3.36Å; S176-M178 VanDerWaalsContact C-N 3.34Å; M178-S180 PolarHBondContact O-N 2.96Å; M178-L181 PolarHBondContact O-N 3.39Å; M178-R182 PolarHBondContact O-N 2.97Å; M178-R182 PolarHBondContact SD-NH1 3.4Å; M178-R182 VanDerWaalsContact SD-NH1 3.36Å; M178-I187 HydrophobicContact CB-CD1 4.13Å; M178-I187 HydrophobicContact CB-CG1 3.97Å; M178-I187 HydrophobicContact CB-CG2 4.4Å; M178-Y190 HydrophobicContact CE-CD1 3.73Å; M178-Y190 HydrophobicContact CE-CE1 3.11Å; M178-Y190 HydrophobicContact CE-CE2 4.32Å; M178-Y190 VanDerWaalsContact CE-CZ 3.45Å; M178-Y190 HydrophobicContact SD-CD1 3.43Å; M178-Y190 WeakPolarHBondContact SD-CD1 3.35Å; M178-Y190 HydrophobicContact SD-CE1 3.53Å; M178-Y190 VanDerWaalsContact SD-CE1 3.53Å; M178-Y190 HydrophobicContact SD-CG 4.12Å
179	N	86.7	Confident	89.1	Confident	100 Å²	100	71.7 Å²	71.7	54%	0.535	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.8	-177.1	-87.7	-3.7	0	0	0	114.4	R175	R175-N179 WeakPolarHBondContact CG-OD1 3.2Å; R175-N179 PolarHBondContact O-N 2.93Å; R175-N179 PolarHBondContact O-OD1 2.8Å; R175-N179 VanDerWaalsContact O-OD1 3.06Å
180	S	87.5	Confident	89.2	Confident	110 Å²	110	74 Å²	74	77%	0.769	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.2	177.1	56.7	0	0	0	0	114.5	M178	M178-S180 PolarHBondContact O-N 2.96Å
181	L	85.7	Confident	89.3	Confident	132 Å²	132	74.2 Å²	74.2	69%	0.691	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-22.4	-168.7	-62.9	174.9	0	0	0	113.9	M178	M178-L181 PolarHBondContact O-N 3.39Å
182	R	86.4	Confident	89.3	Confident	114 Å²	114	74.9 Å²	74.9	43%	0.43	41%	0.41	S	S	.	.	S	Bend	trans	-147.4	162.4	-170.3	-68.8	-168.7	-178.1	113.2	4.6	111.7	M178 E186 I187	M178-R182 PolarHBondContact O-N 2.97Å; M178-R182 PolarHBondContact SD-NH1 3.4Å; M178-R182 VanDerWaalsContact SD-NH1 3.36Å; R182-E186 HydrophobicContact CB-CB 4.15Å; R182-I187 HydrophobicContact CB-CD1 4.29Å; R182-I187 HydrophobicContact CB-CG1 3.75Å
183	S	89.5	Confident	89.4	Confident	57 Å²	57	82.8 Å²	82.8	40%	0.399	43%	0.429	S	S	.	.			trans	-69.4	157.9	171.4	70.1	0	0	0	0	111.3	D185 E186 I187	S183-D185 VanDerWaalsContact C-N 3.29Å; S183-D185 PolarHBondContact O-N 3.48Å; S183-E186 PolarHBondContact O-N 3.08Å; S183-E186 WeakPolarHBondContact OG-CB 3.44Å; S183-E186 VanDerWaalsContact OG-CG 3.25Å; S183-E186 WeakPolarHBondContact OG-CG 3.21Å; S183-E186 PolarHBondContact OG-N 3.4Å; S183-I187 VanDerWaalsContact O-CG1 3.26Å; S183-I187 WeakPolarHBondContact O-CG1 3.49Å; S183-I187 PolarHBondContact O-N 3.23Å
184	S	88.5	Confident	89.4	Confident	70 Å²	70	82.6 Å²	82.6	49%	0.49	43%	0.43	S	S	.	.	H	α-helix	trans	-56.6	-43.2	179.9	-167.7	0	0	0	0	112.1	E186 I187 D188	S184-E186 PolarHBondContact O-N 3.37Å; S184-I187 PolarHBondContact O-N 2.91Å; S184-D188 PolarHBondContact O-N 3.1Å
185	D	90.7	Very high	89.5	Confident	124 Å²	124	82.2 Å²	82.2	66%	0.663	43%	0.428	S	S	*	.	H	α-helix	trans	-64.6	-41.7	-179.4	-61.7	-22	0	0	0	111.6	S183 I187 D188 V189	S183-D185 VanDerWaalsContact C-N 3.29Å; S183-D185 PolarHBondContact O-N 3.48Å; D185-I187 VanDerWaalsContact C-N 3.34Å; D185-I187 PolarHBondContact O-N 2.82Å; D185-D188 PolarHBondContact O-N 2.91Å; D185-V189 WeakPolarHBondContact O-CG2 3.14Å; D185-V189 PolarHBondContact O-N 3.28Å; D185-V189 VanDerWaalsContact O-N 3.09Å
186	E	90.6	Very high	89.7	Confident	108 Å²	108	83 Å²	83	51%	0.505	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175.3	-74.7	172.3	-168.8	0	0	112.2	R182 S183 S184 Y190	R182-E186 HydrophobicContact CB-CB 4.15Å; S183-E186 PolarHBondContact O-N 3.08Å; S183-E186 WeakPolarHBondContact OG-CB 3.44Å; S183-E186 VanDerWaalsContact OG-CG 3.25Å; S183-E186 WeakPolarHBondContact OG-CG 3.21Å; S183-E186 PolarHBondContact OG-N 3.4Å; S184-E186 PolarHBondContact O-N 3.37Å; E186-Y190 WeakPolarHBondContact O-CB 3.28Å; E186-Y190 PolarHBondContact O-N 3.05Å
187	I	90.1	Very high	89.7	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.005	42%	0.424	C	S	.	.	H	α-helix	trans	-64.7	-44.7	176.6	-66	165.8	0	0	0	110	R175 M178 R182 S183 S184 D185 V189 Y190 V191	R175-I187 HydrophobicContact CB-CG2 4.04Å; R175-I187 HydrophobicContact CG-CG2 3.84Å; M178-I187 HydrophobicContact CB-CD1 4.13Å; M178-I187 HydrophobicContact CB-CG1 3.97Å; M178-I187 HydrophobicContact CB-CG2 4.4Å; R182-I187 HydrophobicContact CB-CD1 4.29Å; R182-I187 HydrophobicContact CB-CG1 3.75Å; S183-I187 VanDerWaalsContact O-CG1 3.26Å; S183-I187 WeakPolarHBondContact O-CG1 3.49Å; S183-I187 PolarHBondContact O-N 3.23Å; S184-I187 PolarHBondContact O-N 2.91Å; D185-I187 VanDerWaalsContact C-N 3.34Å; D185-I187 PolarHBondContact O-N 2.82Å; I187-V189 PolarHBondContact O-N 3Å; I187-Y190 PolarHBondContact O-N 3.03Å; I187-V191 HydrophobicContact CG2-CG2 3.88Å; I187-V191 WeakPolarHBondContact O-CB 3.28Å; I187-V191 WeakPolarHBondContact O-CG2 3.36Å; I187-V191 PolarHBondContact O-N 3.32Å
188	D	92	Very high	90	Very high	62 Å²	62	74.8 Å²	74.8	33%	0.332	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-42.9	-179.1	-72.7	-10.2	0	0	0	111.8	R175 S184 D185 Y190 S192	R175-D188 IonicContact CZ-OD1 3.36Å; R175-D188 VanDerWaalsContact CZ-OD1 3.27Å; R175-D188 IonicContact NE-OD1 3.07Å; R175-D188 PolarHBondContact NE-OD1 2.71Å; R175-D188 IonicContact NH2-OD1 2.93Å; R175-D188 PolarHBondContact NH2-OD1 2.74Å; S184-D188 PolarHBondContact O-N 3.1Å; D185-D188 PolarHBondContact O-N 2.91Å; D188-Y190 PolarHBondContact O-N 3.39Å; D188-S192 VanDerWaalsContact O-CB 3.27Å; D188-S192 WeakPolarHBondContact O-CB 3.13Å; D188-S192 PolarHBondContact O-N 3.4Å
189	V	93.3	Very high	90.3	Very high	105 Å²	105	77.1 Å²	77.1	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-61.4	-44.7	173.6	173.8	0	0	0	0	111.1	D185 I187 R193	D185-V189 WeakPolarHBondContact O-CG2 3.14Å; D185-V189 PolarHBondContact O-N 3.28Å; D185-V189 VanDerWaalsContact O-N 3.09Å; I187-V189 PolarHBondContact O-N 3Å; V189-R193 WeakPolarHBondContact O-CB 3.37Å; V189-R193 PolarHBondContact O-N 3.34Å
190	Y	90.7	Very high	90.6	Very high	91 Å²	91	77 Å²	77	36%	0.357	41%	0.407	S	S	.	.	H	α-helix	trans	-63.6	-49.9	178.7	175.6	-90.3	0	0	0	112.1	V174 M178 E186 I187 D188 S192 R193 C194	V174-Y190 HydrophobicContact CG1-CD1 4.11Å; V174-Y190 HydrophobicContact CG1-CE1 3.91Å; M178-Y190 HydrophobicContact CE-CD1 3.73Å; M178-Y190 HydrophobicContact CE-CE1 3.11Å; M178-Y190 HydrophobicContact CE-CE2 4.32Å; M178-Y190 VanDerWaalsContact CE-CZ 3.45Å; M178-Y190 HydrophobicContact SD-CD1 3.43Å; M178-Y190 WeakPolarHBondContact SD-CD1 3.35Å; M178-Y190 HydrophobicContact SD-CE1 3.53Å; M178-Y190 VanDerWaalsContact SD-CE1 3.53Å; M178-Y190 HydrophobicContact SD-CG 4.12Å; E186-Y190 WeakPolarHBondContact O-CB 3.28Å; E186-Y190 PolarHBondContact O-N 3.05Å; I187-Y190 PolarHBondContact O-N 3.03Å; D188-Y190 PolarHBondContact O-N 3.39Å; Y190-S192 VanDerWaalsContact C-N 3.35Å; Y190-S192 PolarHBondContact O-N 2.97Å; Y190-R193 PolarHBondContact O-N 3.41Å; Y190-C194 VanDerWaalsContact CE1-SG 3.55Å; Y190-C194 PolarHBondContact O-N 2.93Å; Y190-C194 PolarHBondContact O-SG 3.04Å; Y190-C194 VanDerWaalsContact O-SG 3.36Å
191	V	90.6	Very high	90.8	Very high	4 Å²	4	74.9 Å²	74.9	2%	0.024	39%	0.387	C	S	.	.	H	α-helix	trans	-57.3	-50.3	180	169.1	0	0	0	0	109.7	E171 V174 I187 R193 C194 I195	E171-V191 HydrophobicContact CB-CG1 3.84Å; E171-V191 HydrophobicContact CG-CG1 3.52Å; V174-V191 HydrophobicContact CB-CG2 3.98Å; V174-V191 HydrophobicContact CG1-CG2 3.6Å; I187-V191 HydrophobicContact CG2-CG2 3.88Å; I187-V191 WeakPolarHBondContact O-CB 3.28Å; I187-V191 WeakPolarHBondContact O-CG2 3.36Å; I187-V191 PolarHBondContact O-N 3.32Å; V191-R193 PolarHBondContact O-N 3.33Å; V191-C194 PolarHBondContact O-N 3.17Å; V191-I195 HydrophobicContact CG1-CG1 4.39Å; V191-I195 WeakPolarHBondContact O-CG1 3.48Å; V191-I195 PolarHBondContact O-N 3.19Å
192	S	92.6	Very high	91	Very high	64 Å²	64	69.1 Å²	69.1	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-47.7	178.1	-175.8	0	0	0	0	111.4	D188 Y190 C194 I195 Q196	D188-S192 VanDerWaalsContact O-CB 3.27Å; D188-S192 WeakPolarHBondContact O-CB 3.13Å; D188-S192 PolarHBondContact O-N 3.4Å; Y190-S192 VanDerWaalsContact C-N 3.35Å; Y190-S192 PolarHBondContact O-N 2.97Å; S192-C194 PolarHBondContact O-N 2.55Å; S192-I195 PolarHBondContact O-N 3.29Å; S192-Q196 WeakPolarHBondContact O-CB 3.41Å; S192-Q196 WeakPolarHBondContact O-CG 3.31Å; S192-Q196 PolarHBondContact O-N 3.37Å
193	R	93	Very high	91.3	Very high	199 Å²	199	67.3 Å²	67.3	75%	0.751	36%	0.356	S	S	*	.	H	α-helix	trans	-60.1	-43.4	178	-175.8	177.4	177.4	175.1	-0.5	112.6	V189 Y190 V191 S197	V189-R193 WeakPolarHBondContact O-CB 3.37Å; V189-R193 PolarHBondContact O-N 3.34Å; Y190-R193 PolarHBondContact O-N 3.41Å; V191-R193 PolarHBondContact O-N 3.33Å; R193-S197 WeakPolarHBondContact O-CB 3.1Å; R193-S197 PolarHBondContact O-N 2.92Å
194	C	88.5	Confident	91.5	Very high	26 Å²	26	67.3 Å²	67.3	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-40.4	-178.5	-70.6	0	0	0	0	112.2	P68 Y190 V191 S192 F198	P68-C194 HydrophobicContact CB-CB 4.24Å; P68-C194 HydrophobicContact CG-CB 3.67Å; Y190-C194 VanDerWaalsContact CE1-SG 3.55Å; Y190-C194 PolarHBondContact O-N 2.93Å; Y190-C194 PolarHBondContact O-SG 3.04Å; Y190-C194 VanDerWaalsContact O-SG 3.36Å; V191-C194 PolarHBondContact O-N 3.17Å; S192-C194 PolarHBondContact O-N 2.55Å; C194-F198 PolarHBondContact O-N 2.72Å
195	I	91	Very high	91.7	Very high	6 Å²	6	64 Å²	64	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-67.5	-43.5	175.4	-64.9	-66.6	0	0	0	111	A67 E167 C170 E171 V191 S192 S197 F198 K199	A67-I195 HydrophobicContact CB-CD1 4.28Å; E167-I195 HydrophobicContact CG-CG2 4.01Å; E167-I195 WeakPolarHBondContact OE1-CG2 3.49Å; C170-I195 HydrophobicContact CB-CD1 4.1Å; E171-I195 HydrophobicContact CG-CG1 4.3Å; V191-I195 HydrophobicContact CG1-CG1 4.39Å; V191-I195 WeakPolarHBondContact O-CG1 3.48Å; V191-I195 PolarHBondContact O-N 3.19Å; S192-I195 PolarHBondContact O-N 3.29Å; I195-S197 PolarHBondContact O-N 3.39Å; I195-F198 WeakPolarHBondContact O-CB 3.43Å; I195-F198 PolarHBondContact O-N 3.49Å; I195-K199 HydrophobicContact CG2-CD 4.15Å; I195-K199 WeakPolarHBondContact O-CG 3.41Å; I195-K199 PolarHBondContact O-N 3.42Å
196	Q	93.4	Very high	91.7	Very high	93 Å²	93	58.2 Å²	58.2	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-61.1	-43.5	175.7	-71.8	-61.6	-27.7	0	0	111.7	S192 F198 K199 V200	S192-Q196 WeakPolarHBondContact O-CB 3.41Å; S192-Q196 WeakPolarHBondContact O-CG 3.31Å; S192-Q196 PolarHBondContact O-N 3.37Å; Q196-F198 VanDerWaalsContact C-N 3.33Å; Q196-F198 PolarHBondContact O-N 3.49Å; Q196-K199 PolarHBondContact O-N 3.31Å; Q196-V200 WeakPolarHBondContact O-CB 3.34Å; Q196-V200 WeakPolarHBondContact O-CG2 3.25Å; Q196-V200 PolarHBondContact O-N 3.38Å
197	S	90.3	Very high	91.8	Very high	57 Å²	57	59.4 Å²	59.4	40%	0.399	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-44.2	174.7	-175.3	0	0	0	0	111.9	R193 I195 K199 V200 N201	R193-S197 WeakPolarHBondContact O-CB 3.1Å; R193-S197 PolarHBondContact O-N 2.92Å; I195-S197 PolarHBondContact O-N 3.39Å; S197-K199 VanDerWaalsContact C-N 3.33Å; S197-K199 PolarHBondContact O-N 3.14Å; S197-V200 PolarHBondContact O-N 3.22Å; S197-N201 VanDerWaalsContact O-CB 3.24Å; S197-N201 WeakPolarHBondContact O-CB 3.21Å; S197-N201 PolarHBondContact O-N 3.06Å; S197-N201 PolarHBondContact O-ND2 3.47Å; S197-N201 PolarHBondContact OG-ND2 2.92Å; S197-N201 VanDerWaalsContact OG-ND2 3.14Å
198	F	91.7	Very high	91.8	Very high	24 Å²	24	61.6 Å²	61.6	11%	0.105	31%	0.312	C	S	.	.	I	π-helix	trans	-60.4	-42.5	175.5	179.3	-99.5	0	0	0	112.1	G66 A67 L162 C194 I195 Q196 T202 L203 L206	G66-F198 WeakPolarHBondContact O-CE2 3.49Å; A67-F198 HydrophobicContact CB-CD1 3.88Å; A67-F198 HydrophobicContact CB-CE1 3.94Å; A67-F198 HydrophobicContact CB-CG 4.2Å; A67-F198 HydrophobicContact CB-CZ 4.31Å; L162-F198 HydrophobicContact CD1-CZ 4.07Å; C194-F198 PolarHBondContact O-N 2.72Å; I195-F198 WeakPolarHBondContact O-CB 3.43Å; I195-F198 PolarHBondContact O-N 3.49Å; Q196-F198 VanDerWaalsContact C-N 3.33Å; Q196-F198 PolarHBondContact O-N 3.49Å; F198-T202 VanDerWaalsContact CD2-CB 3.47Å; F198-T202 HydrophobicContact CD2-CG2 3.68Å; F198-T202 HydrophobicContact CE2-CG2 3.47Å; F198-T202 VanDerWaalsContact CE2-CG2 3.47Å; F198-T202 HydrophobicContact CZ-CG2 4.43Å; F198-T202 WeakPolarHBondContact O-CA 3.49Å; F198-T202 VanDerWaalsContact O-CB 3.27Å; F198-T202 WeakPolarHBondContact O-CB 3.34Å; F198-T202 PolarHBondContact O-N 2.94Å; F198-L203 HydrophobicContact CD1-CD2 4.37Å; F198-L203 HydrophobicContact CD1-CG 4.31Å; F198-L203 HydrophobicContact CE1-CD2 3.6Å; F198-L203 HydrophobicContact CE1-CG 4.02Å; F198-L203 HydrophobicContact CZ-CD2 3.97Å; F198-L203 PolarHBondContact O-N 3.02Å; F198-L206 HydrophobicContact CE2-CD1 4.4Å; F198-L206 HydrophobicContact CZ-CD1 4.16Å
199	K	93.1	Very high	91.6	Very high	72 Å²	72	58.9 Å²	58.9	31%	0.313	30%	0.298	S	S	.	.	I	π-helix	trans	-65.4	-45.3	178.4	-73.7	173.9	173.7	175.4	0	112.8	E167 I195 Q196 S197 L203 P204	E167-K199 IonicContact OE1-NZ 2.98Å; E167-K199 PolarHBondContact OE1-NZ 2.87Å; E167-K199 WeakPolarHBondContact OE2-CE 3.43Å; E167-K199 IonicContact OE2-NZ 3.39Å; E167-K199 PolarHBondContact OE2-NZ 3.38Å; I195-K199 HydrophobicContact CG2-CD 4.15Å; I195-K199 WeakPolarHBondContact O-CG 3.41Å; I195-K199 PolarHBondContact O-N 3.42Å; Q196-K199 PolarHBondContact O-N 3.31Å; S197-K199 VanDerWaalsContact C-N 3.33Å; S197-K199 PolarHBondContact O-N 3.14Å; K199-L203 HydrophobicContact CB-CD1 4.3Å; K199-L203 HydrophobicContact CG-CD1 4.11Å; K199-P204 WeakPolarHBondContact O-CD 3.22Å
200	V	94.3	Very high	91.5	Very high	97 Å²	97	57.5 Å²	57.5	59%	0.588	29%	0.287	S	S	*	.	I	π-helix	trans	-79	-34.5	-173.9	175.7	0	0	0	0	112	Q196 S197 P204	Q196-V200 WeakPolarHBondContact O-CB 3.34Å; Q196-V200 WeakPolarHBondContact O-CG2 3.25Å; Q196-V200 PolarHBondContact O-N 3.38Å; S197-V200 PolarHBondContact O-N 3.22Å; V200-P204 WeakPolarHBondContact O-CG 3.36Å
201	N	90.2	Very high	91.6	Very high	66 Å²	66	59.3 Å²	59.3	35%	0.353	30%	0.298	S	S	.	.	I	π-helix	trans	-106.3	-49.7	-171.8	-58.9	-38.9	0	0	0	112.2	R130 D131 S197	R130-N201 CarbonylContact O-C 3.58Å; D131-N201 HydrophobicContact CB-CB 4.1Å; S197-N201 VanDerWaalsContact O-CB 3.24Å; S197-N201 WeakPolarHBondContact O-CB 3.21Å; S197-N201 PolarHBondContact O-N 3.06Å; S197-N201 PolarHBondContact O-ND2 3.47Å; S197-N201 PolarHBondContact OG-ND2 2.92Å; S197-N201 VanDerWaalsContact OG-ND2 3.14Å
202	T	90.5	Very high	91.5	Very high	11 Å²	11	65.9 Å²	65.9	7%	0.067	32%	0.323	C	S	.	.	I	π-helix	trans	-82.4	-39.9	-169.9	-45.9	0	0	0	0	112.6	R130 F198 M205 L206	R130-T202 WeakPolarHBondContact O-CA 3.35Å; R130-T202 WeakPolarHBondContact O-CB 3.32Å; R130-T202 PolarHBondContact O-N 2.95Å; R130-T202 PolarHBondContact O-OG1 2.71Å; F198-T202 VanDerWaalsContact CD2-CB 3.47Å; F198-T202 HydrophobicContact CD2-CG2 3.68Å; F198-T202 HydrophobicContact CE2-CG2 3.47Å; F198-T202 VanDerWaalsContact CE2-CG2 3.47Å; F198-T202 HydrophobicContact CZ-CG2 4.43Å; F198-T202 WeakPolarHBondContact O-CA 3.49Å; F198-T202 VanDerWaalsContact O-CB 3.27Å; F198-T202 WeakPolarHBondContact O-CB 3.34Å; F198-T202 PolarHBondContact O-N 2.94Å; T202-M205 HydrophobicContact CG2-CE 3.46Å; T202-M205 VanDerWaalsContact CG2-CE 3.46Å; T202-M205 WeakPolarHBondContact O-CB 3.24Å; T202-M205 PolarHBondContact O-N 3.22Å; T202-L206 HydrophobicContact CG2-CD1 4.01Å; T202-L206 HydrophobicContact CG2-CG 4.31Å; T202-L206 VanDerWaalsContact O-CG 3.28Å; T202-L206 WeakPolarHBondContact O-CG 3.34Å; T202-L206 PolarHBondContact O-N 2.87Å
203	L	92.3	Very high	91.3	Very high	76 Å²	76	70 Å²	70	40%	0.398	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-43.6	177.7	-66.4	-179.1	0	0	0	113.2	F198 K199 M205 L206 K207	F198-L203 HydrophobicContact CD1-CD2 4.37Å; F198-L203 HydrophobicContact CD1-CG 4.31Å; F198-L203 HydrophobicContact CE1-CD2 3.6Å; F198-L203 HydrophobicContact CE1-CG 4.02Å; F198-L203 HydrophobicContact CZ-CD2 3.97Å; F198-L203 PolarHBondContact O-N 3.02Å; K199-L203 HydrophobicContact CB-CD1 4.3Å; K199-L203 HydrophobicContact CG-CD1 4.11Å; L203-M205 VanDerWaalsContact C-N 3.31Å; L203-M205 PolarHBondContact O-N 2.66Å; L203-L206 HydrophobicContact CD2-CD1 4.3Å; L203-L206 PolarHBondContact O-N 3.46Å; L203-K207 PolarHBondContact O-N 3.06Å
204	P	94	Very high	91	Very high	57 Å²	57	62.3 Å²	62.3	37%	0.37	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-38.8	173.1	-27.8	37.7	0	0	0	113.4	K199 V200 K207 Y208	K199-P204 WeakPolarHBondContact O-CD 3.22Å; V200-P204 WeakPolarHBondContact O-CG 3.36Å; P204-K207 WeakPolarHBondContact O-CB 3.42Å; P204-K207 PolarHBondContact O-N 3.36Å; P204-Y208 PolarHBondContact O-N 3.25Å; P204-Y208 VanDerWaalsContact O-N 3.16Å
205	M	92.4	Very high	90.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-41.6	174.5	172.6	-79.5	-65.7	0	0	111.9	P129 D131 L132 A135 T202 L203 K207 Y208 F209	P129-M205 HydrophobicContact CG-CE 4.32Å; P129-M205 HydrophobicContact CG-CG 4.33Å; P129-M205 HydrophobicContact CG-SD 3.96Å; P129-M205 WeakPolarHBondContact O-CE 3.35Å; D131-M205 WeakPolarHBondContact O-CG 3.19Å; L132-M205 HydrophobicContact CD2-CB 4.29Å; L132-M205 HydrophobicContact CG-CB 4.19Å; A135-M205 HydrophobicContact CB-CG 3.94Å; T202-M205 HydrophobicContact CG2-CE 3.46Å; T202-M205 VanDerWaalsContact CG2-CE 3.46Å; T202-M205 WeakPolarHBondContact O-CB 3.24Å; T202-M205 PolarHBondContact O-N 3.22Å; L203-M205 VanDerWaalsContact C-N 3.31Å; L203-M205 PolarHBondContact O-N 2.66Å; M205-K207 VanDerWaalsContact C-N 3.31Å; M205-K207 PolarHBondContact O-N 3.19Å; M205-Y208 VanDerWaalsContact O-CB 3.32Å; M205-Y208 WeakPolarHBondContact O-CB 3.31Å; M205-Y208 PolarHBondContact O-N 3.49Å; M205-Y208 VanDerWaalsContact O-N 3.17Å; M205-F209 HydrophobicContact CG-CD2 4.21Å; M205-F209 HydrophobicContact CG-CE2 3.91Å; M205-F209 VanDerWaalsContact O-CD2 3.31Å; M205-F209 WeakPolarHBondContact O-CD2 3.44Å; M205-F209 PolarHBondContact O-N 2.89Å; M205-F209 HydrophobicContact SD-CD2 3.37Å; M205-F209 WeakPolarHBondContact SD-CD2 3.42Å; M205-F209 HydrophobicContact SD-CE2 3.34Å; M205-F209 WeakPolarHBondContact SD-CE2 3.5Å
206	L	90.7	Very high	90.6	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-37.1	177.9	-66.9	166.4	0	0	0	111.3	V160 L162 F198 T202 L203 Y208 F209 D210 L215	V160-L206 HydrophobicContact CG1-CD2 3.71Å; L162-L206 HydrophobicContact CD1-CD1 3.78Å; L162-L206 HydrophobicContact CD2-CD1 4.1Å; L162-L206 HydrophobicContact CG-CD1 4.35Å; F198-L206 HydrophobicContact CE2-CD1 4.4Å; F198-L206 HydrophobicContact CZ-CD1 4.16Å; T202-L206 HydrophobicContact CG2-CD1 4.01Å; T202-L206 HydrophobicContact CG2-CG 4.31Å; T202-L206 VanDerWaalsContact O-CG 3.28Å; T202-L206 WeakPolarHBondContact O-CG 3.34Å; T202-L206 PolarHBondContact O-N 2.87Å; L203-L206 HydrophobicContact CD2-CD1 4.3Å; L203-L206 PolarHBondContact O-N 3.46Å; L206-Y208 VanDerWaalsContact C-N 3.3Å; L206-Y208 PolarHBondContact O-N 3.48Å; L206-F209 PolarHBondContact O-N 2.84Å; L206-F209 VanDerWaalsContact O-N 3.13Å; L206-D210 PolarHBondContact O-N 3.28Å; L206-L215 HydrophobicContact CB-CD1 4.34Å; L206-L215 HydrophobicContact CB-CD2 4.23Å; L206-L215 HydrophobicContact CD2-CD1 3.63Å
207	K	92.5	Very high	90.1	Very high	133 Å²	133	64.4 Å²	64.4	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-57.8	-42	172.1	-174.3	179.1	177.1	-176.8	0	111.9	L203 P204 M205 F209 D210 E211	L203-K207 PolarHBondContact O-N 3.06Å; P204-K207 WeakPolarHBondContact O-CB 3.42Å; P204-K207 PolarHBondContact O-N 3.36Å; M205-K207 VanDerWaalsContact C-N 3.31Å; M205-K207 PolarHBondContact O-N 3.19Å; K207-F209 VanDerWaalsContact C-N 3.33Å; K207-F209 PolarHBondContact O-N 3.08Å; K207-D210 WeakPolarHBondContact O-CB 3.3Å; K207-D210 PolarHBondContact O-N 3.01Å; K207-D210 VanDerWaalsContact O-N 3.15Å; K207-E211 VanDerWaalsContact CE-OE1 3.26Å; K207-E211 WeakPolarHBondContact CE-OE1 3.44Å; K207-E211 WeakPolarHBondContact O-CG 3.26Å; K207-E211 PolarHBondContact O-N 3.25Å
208	Y	91	Very high	89.5	Confident	46 Å²	46	62 Å²	62	18%	0.18	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-39.2	174.7	163.3	-94.7	0	0	0	113.2	L132 N136 P204 M205 L206 R212	L132-Y208 HydrophobicContact CD2-CD1 4.12Å; L132-Y208 HydrophobicContact CD2-CD2 4.18Å; L132-Y208 HydrophobicContact CD2-CG 3.74Å; N136-Y208 PolarHBondContact OD1-OH 3.06Å; P204-Y208 PolarHBondContact O-N 3.25Å; P204-Y208 VanDerWaalsContact O-N 3.16Å; M205-Y208 VanDerWaalsContact O-CB 3.32Å; M205-Y208 WeakPolarHBondContact O-CB 3.31Å; M205-Y208 PolarHBondContact O-N 3.49Å; M205-Y208 VanDerWaalsContact O-N 3.17Å; L206-Y208 VanDerWaalsContact C-N 3.3Å; L206-Y208 PolarHBondContact O-N 3.48Å; Y208-R212 VanDerWaalsContact CZ-NH1 3.28Å; Y208-R212 VanDerWaalsContact CZ-NH2 3.3Å; Y208-R212 WeakPolarHBondContact O-CG 3.48Å; Y208-R212 PolarHBondContact O-N 2.99Å; Y208-R212 PolarHBondContact OH-NH1 2.92Å; Y208-R212 PolarHBondContact OH-NH2 2.73Å
209	F	88.5	Confident	88.6	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-72.8	-31	174.4	-74.7	-69.4	0	0	0	113.2	P129 A135 I157 V160 M205 L206 K207 R212 K213 L214 L215	P129-F209 HydrophobicContact CG-CE2 3.94Å; P129-F209 HydrophobicContact CG-CZ 4.28Å; A135-F209 HydrophobicContact CB-CE2 3.92Å; A135-F209 HydrophobicContact CB-CZ 4Å; I157-F209 HydrophobicContact CD1-CE1 3.63Å; I157-F209 HydrophobicContact CD1-CZ 3.47Å; I157-F209 VanDerWaalsContact CD1-CZ 3.47Å; I157-F209 HydrophobicContact CG2-CE1 4.37Å; V160-F209 HydrophobicContact CB-CB 4.36Å; V160-F209 HydrophobicContact CB-CD2 4.49Å; V160-F209 HydrophobicContact CB-CG 4.27Å; V160-F209 HydrophobicContact CG2-CB 4.14Å; V160-F209 HydrophobicContact CG2-CD1 3.62Å; V160-F209 HydrophobicContact CG2-CD2 3.77Å; V160-F209 HydrophobicContact CG2-CE1 3.91Å; V160-F209 HydrophobicContact CG2-CE2 4.04Å; V160-F209 HydrophobicContact CG2-CG 3.56Å; V160-F209 HydrophobicContact CG2-CZ 4.1Å; M205-F209 HydrophobicContact CG-CD2 4.21Å; M205-F209 HydrophobicContact CG-CE2 3.91Å; M205-F209 VanDerWaalsContact O-CD2 3.31Å; M205-F209 WeakPolarHBondContact O-CD2 3.44Å; M205-F209 PolarHBondContact O-N 2.89Å; M205-F209 HydrophobicContact SD-CD2 3.37Å; M205-F209 WeakPolarHBondContact SD-CD2 3.42Å; M205-F209 HydrophobicContact SD-CE2 3.34Å; M205-F209 WeakPolarHBondContact SD-CE2 3.5Å; L206-F209 PolarHBondContact O-N 2.84Å; L206-F209 VanDerWaalsContact O-N 3.13Å; K207-F209 VanDerWaalsContact C-N 3.33Å; K207-F209 PolarHBondContact O-N 3.08Å; F209-R212 CarbonylContact O-C 3.56Å; F209-R212 PolarHBondContact O-N 3.05Å; F209-K213 PolarHBondContact O-N 3.5Å; F209-L214 HydrophobicContact CB-CB 4.37Å; F209-L214 HydrophobicContact CD1-CB 4.04Å; F209-L214 HydrophobicContact CD1-CD1 3.89Å; F209-L214 HydrophobicContact CE1-CD1 4.31Å; F209-L214 PolarHBondContact O-N 3.39Å; F209-L215 HydrophobicContact CB-CB 4.21Å; F209-L215 PolarHBondContact O-N 3.03Å; F209-L215 VanDerWaalsContact O-N 3.15Å
210	D	90.3	Very high	87.2	Confident	76 Å²	76	66.1 Å²	66.1	41%	0.406	31%	0.312	S	S	.	.	H	α-helix	trans	-68.1	-43.8	176.5	-171.4	45.6	0	0	0	112.3	L206 K207 R212 K213 L215	L206-D210 PolarHBondContact O-N 3.28Å; K207-D210 WeakPolarHBondContact O-CB 3.3Å; K207-D210 PolarHBondContact O-N 3.01Å; K207-D210 VanDerWaalsContact O-N 3.15Å; D210-R212 PolarHBondContact O-N 2.77Å; D210-R212 VanDerWaalsContact O-N 3.16Å; D210-K213 PolarHBondContact O-N 3.25Å; D210-L215 HydrophobicContact CB-CB 3.88Å; D210-L215 HydrophobicContact CB-CD2 3.79Å; D210-L215 HydrophobicContact CB-CG 4.48Å
211	E	92.5	Very high	85.4	Confident	128 Å²	128	68 Å²	68	60%	0.598	31%	0.314	S	S	*	.	H	α-helix	trans	-57.5	-31.3	174.5	-73	173	-176.9	0	0	111.7	K207	K207-E211 VanDerWaalsContact CE-OE1 3.26Å; K207-E211 WeakPolarHBondContact CE-OE1 3.44Å; K207-E211 WeakPolarHBondContact O-CG 3.26Å; K207-E211 PolarHBondContact O-N 3.25Å
212	R	89.1	Confident	83.2	Confident	142 Å²	142	69 Å²	69	54%	0.536	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.9	176.6	-66.2	178.6	174.2	-162.6	1.8	114.7	Y208 F209 D210 L214	Y208-R212 VanDerWaalsContact CZ-NH1 3.28Å; Y208-R212 VanDerWaalsContact CZ-NH2 3.3Å; Y208-R212 WeakPolarHBondContact O-CG 3.48Å; Y208-R212 PolarHBondContact O-N 2.99Å; Y208-R212 PolarHBondContact OH-NH1 2.92Å; Y208-R212 PolarHBondContact OH-NH2 2.73Å; F209-R212 CarbonylContact O-C 3.56Å; F209-R212 PolarHBondContact O-N 3.05Å; D210-R212 PolarHBondContact O-N 2.77Å; D210-R212 VanDerWaalsContact O-N 3.16Å; R212-L214 HydrophobicContact CB-CD1 4.08Å; R212-L214 HydrophobicContact CB-CG 4.09Å; R212-L214 PolarHBondContact O-N 3.03Å
213	K	87.4	Confident	81.2	Confident	151 Å²	151	71.8 Å²	71.8	66%	0.657	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	21.7	-177.5	-49.6	-57.9	175	-164.4	0	114.4	F209 D210 R216	F209-K213 PolarHBondContact O-N 3.5Å; D210-K213 PolarHBondContact O-N 3.25Å; K213-R216 PolarHBondContact O-NH1 2.77Å
214	L	86.9	Confident	79.1	Confident	38 Å²	38	69 Å²	69	20%	0.199	32%	0.322	C	S	.	.			trans	-92.4	-21.4	175.5	-60.7	174.5	0	0	0	111.9	K158 M159 V160 F209 R212	K158-L214 VanDerWaalsContact O-CD2 3.26Å; K158-L214 WeakPolarHBondContact O-CD2 3.19Å; M159-L214 WeakPolarHBondContact CA-O 3.37Å; V160-L214 PolarHBondContact N-O 3.41Å; F209-L214 HydrophobicContact CB-CB 4.37Å; F209-L214 HydrophobicContact CD1-CB 4.04Å; F209-L214 HydrophobicContact CD1-CD1 3.89Å; F209-L214 HydrophobicContact CE1-CD1 4.31Å; F209-L214 PolarHBondContact O-N 3.39Å; R212-L214 HydrophobicContact CB-CD1 4.08Å; R212-L214 HydrophobicContact CB-CG 4.09Å; R212-L214 PolarHBondContact O-N 3.03Å
215	L	86.2	Confident	76.7	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	144.8	177.6	-169	66.7	0	0	0	111.8	V160 L162 L206 F209 D210	V160-L215 HydrophobicContact CB-CD1 4.1Å; V160-L215 HydrophobicContact CG1-CD1 3.97Å; V160-L215 CarbonylContact O-C 3.56Å; V160-L215 WeakPolarHBondContact O-CA 3.35Å; L162-L215 HydrophobicContact CB-CD1 3.97Å; L206-L215 HydrophobicContact CB-CD1 4.34Å; L206-L215 HydrophobicContact CB-CD2 4.23Å; L206-L215 HydrophobicContact CD2-CD1 3.63Å; F209-L215 HydrophobicContact CB-CB 4.21Å; F209-L215 PolarHBondContact O-N 3.03Å; F209-L215 VanDerWaalsContact O-N 3.15Å; D210-L215 HydrophobicContact CB-CB 3.88Å; D210-L215 HydrophobicContact CB-CD2 3.79Å; D210-L215 HydrophobicContact CB-CG 4.48Å
216	R	84.9	Confident	74.4	Confident	62 Å²	62	70.2 Å²	70.2	23%	0.234	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	128.3	-179.8	-84.6	-45.5	175.5	-77.3	-5.5	108.7	M159 V160 I161 L162 K213 V230	M159-R216 HydrophobicContact CE-CG 3.9Å; M159-R216 HydrophobicContact CG-CB 4.14Å; M159-R216 HydrophobicContact CG-CG 3.77Å; M159-R216 HydrophobicContact SD-CB 4.31Å; M159-R216 HydrophobicContact SD-CG 3.77Å; V160-R216 WeakPolarHBondContact O-CB 3.4Å; V160-R216 PolarHBondContact O-N 3.24Å; I161-R216 CarbonylContact C-O 3.58Å; I161-R216 VanDerWaalsContact CA-O 3.31Å; I161-R216 WeakPolarHBondContact CA-O 3.3Å; I161-R216 HydrophobicContact CG1-CB 4.46Å; L162-R216 PolarHBondContact N-O 2.97Å; K213-R216 PolarHBondContact O-NH1 2.77Å; R216-V230 HydrophobicContact CB-CG1 3.33Å; R216-V230 HydrophobicContact CG-CG1 3.75Å
217	L	82.6	Confident	72.4	Confident	91 Å²	91	70 Å²	70	48%	0.476	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.8	-175.8	-82.2	142.1	0	0	0	110.6	L162 D164 V230	L162-L217 HydrophobicContact CB-CD2 4.38Å; L162-L217 HydrophobicContact CD2-CD2 3.58Å; L162-L217 HydrophobicContact CD2-CG 4.49Å; L162-L217 HydrophobicContact CG-CD2 4.06Å; D164-L217 HydrophobicContact CB-CD2 3.93Å; L217-V230 WeakPolarHBondContact O-CG2 3.25Å
218	V	78.9	Confident	70.3	Confident	5 Å²	5	64.4 Å²	64.4	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.1	169	-174.9	0	0	0	0	110	I161 L162 I163 D164 F227 V230	I161-V218 HydrophobicContact CG2-CG2 3.81Å; L162-V218 PolarHBondContact O-N 3.45Å; I163-V218 CarbonylContact C-O 3.5Å; I163-V218 WeakPolarHBondContact CA-O 3.27Å; D164-V218 PolarHBondContact N-O 3.07Å; V218-F227 HydrophobicContact CB-CD2 3.55Å; V218-F227 HydrophobicContact CB-CE2 3.92Å; V218-F227 HydrophobicContact CB-CG 4.24Å; V218-F227 HydrophobicContact CG1-CB 3.75Å; V218-F227 HydrophobicContact CG1-CD2 3.26Å; V218-F227 HydrophobicContact CG1-CE2 4.11Å; V218-F227 HydrophobicContact CG1-CG 3.82Å; V218-F227 HydrophobicContact CG2-CB 4.26Å; V218-F227 HydrophobicContact CG2-CD1 4.42Å; V218-F227 HydrophobicContact CG2-CD2 3.53Å; V218-F227 HydrophobicContact CG2-CE2 3.82Å; V218-F227 HydrophobicContact CG2-CG 3.82Å; V218-F227 HydrophobicContact CG2-CZ 4.39Å; V218-V230 HydrophobicContact CG2-CB 4.03Å; V218-V230 HydrophobicContact CG2-CG1 3.87Å; V218-V230 HydrophobicContact CG2-CG2 4.16Å
219	R	72.3	Confident	68	Low	158 Å²	158	65.7 Å²	65.7	60%	0.596	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.5	174.8	-68.5	-178.1	-176.8	158.9	4.5	110.5	D164 H221 L222	D164-R219 HydrophobicContact CB-CG 4.05Å; D164-R219 IonicContact OD2-NE 3.6Å; R219-H221 PolarHBondContact O-N 3.36Å; R219-H221 VanDerWaalsContact O-N 3.16Å; R219-L222 HydrophobicContact CB-CD1 4.05Å; R219-L222 HydrophobicContact CB-CG 4.35Å; R219-L222 PolarHBondContact O-N 2.94Å; R219-L222 VanDerWaalsContact O-N 3.07Å
220	V	63.2	Low	66.1	Low	26 Å²	26	66.7 Å²	66.7	16%	0.158	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.8	-178.1	175.5	0	0	0	0	113.5	Y75 I163 D164 C165 F169 L222	Y75-V220 HydrophobicContact CE2-CG2 4.17Å; I163-V220 HydrophobicContact CG2-CG2 3.33Å; D164-V220 PolarHBondContact O-N 2.79Å; C165-V220 WeakPolarHBondContact SG-CG2 3.42Å; F169-V220 HydrophobicContact CE1-CG1 4.11Å; F169-V220 HydrophobicContact CZ-CG1 3.98Å; V220-L222 VanDerWaalsContact C-N 3.27Å; V220-L222 PolarHBondContact O-N 3.5Å
221	H	56.7	Low	64.1	Low	136 Å²	136	64.7 Å²	64.7	63%	0.63	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.3	179.3	-49.6	-14	0	0	0	112.8	R219	R219-H221 PolarHBondContact O-N 3.36Å; R219-H221 VanDerWaalsContact O-N 3.16Å
222	L	45.5	Very low	61.9	Low	88 Å²	88	62.1 Å²	62.1	46%	0.461	30%	0.304	S	S	.	.	S	Bend	trans	-93.7	139.7	171.8	-67.2	165.9	0	0	0	108.7	R219 V220 A226	R219-L222 HydrophobicContact CB-CD1 4.05Å; R219-L222 HydrophobicContact CB-CG 4.35Å; R219-L222 PolarHBondContact O-N 2.94Å; R219-L222 VanDerWaalsContact O-N 3.07Å; V220-L222 VanDerWaalsContact C-N 3.27Å; V220-L222 PolarHBondContact O-N 3.5Å; L222-A226 HydrophobicContact CB-CB 3.47Å; L222-A226 VanDerWaalsContact CB-CB 3.47Å; L222-A226 HydrophobicContact CD1-CB 3.89Å; L222-A226 HydrophobicContact CG-CB 4.22Å
223	P	48.1	Very low	59.7	Low	69 Å²	69	59.8 Å²	59.8	45%	0.448	31%	0.305	S	S	.	.			trans	-52	147.4	173.4	19.9	-29.9	0	0	0	109.8	L225 A226	P223-L225 PolarHBondContact O-N 3.19Å; P223-A226 WeakPolarHBondContact O-CB 3.4Å; P223-A226 PolarHBondContact O-N 3Å
224	L	48	Very low	57.2	Low	16 Å²	16	59.9 Å²	59.9	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-44.9	-24.5	179.4	-95.3	153.7	0	0	0	114.1	L41 Y75 W78 A226 F227 L228	L41-L224 HydrophobicContact CB-CD1 4.43Å; L41-L224 HydrophobicContact CD2-CD1 3.57Å; L41-L224 HydrophobicContact CD2-CG 4.18Å; Y75-L224 HydrophobicContact CD1-CD2 3.77Å; Y75-L224 HydrophobicContact CE1-CD2 3.78Å; Y75-L224 HydrophobicContact CE1-CG 4.29Å; W78-L224 HydrophobicContact CD2-CD1 4.09Å; W78-L224 HydrophobicContact CD2-CD2 3.79Å; W78-L224 HydrophobicContact CE3-CD2 3.63Å; W78-L224 HydrophobicContact CG-CD1 4.35Å; W78-L224 HydrophobicContact CG-CD2 4.41Å; W78-L224 HydrophobicContact CH2-CD2 4.23Å; W78-L224 HydrophobicContact CZ2-CB 4.49Å; W78-L224 HydrophobicContact CZ2-CD1 4.16Å; W78-L224 HydrophobicContact CZ2-CD2 4.36Å; W78-L224 HydrophobicContact CZ3-CD2 3.85Å; L224-A226 PolarHBondContact O-N 3.02Å; L224-F227 HydrophobicContact CD2-CB 4.42Å; L224-F227 WeakPolarHBondContact O-CA 3.36Å; L224-F227 WeakPolarHBondContact O-CB 3.43Å; L224-F227 PolarHBondContact O-N 2.86Å; L224-L228 PolarHBondContact O-N 3.47Å
225	L	43.3	Very low	54.6	Low	61 Å²	61	61.6 Å²	61.6	32%	0.319	32%	0.317	S	S	.	.	H	α-helix	trans	-52.2	-33.4	168.5	-68.5	167.7	0	0	0	114.9	F44 A46 P223 L228 S229	F44-L225 HydrophobicContact CB-CD1 3.85Å; A46-L225 HydrophobicContact CB-CD2 3.38Å; P223-L225 PolarHBondContact O-N 3.19Å; L225-L228 HydrophobicContact CD2-CD1 4.21Å; L225-L228 PolarHBondContact O-N 3.09Å; L225-S229 PolarHBondContact O-N 3.36Å; L225-S229 PolarHBondContact O-OG 2.93Å
226	A	44.1	Very low	51.8	Low	22 Å²	22	64.9 Å²	64.9	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-73.4	-32.8	172.3	0	0	0	0	0	112.3	L222 P223 L224 L228 S229 V230	L222-A226 HydrophobicContact CB-CB 3.47Å; L222-A226 VanDerWaalsContact CB-CB 3.47Å; L222-A226 HydrophobicContact CD1-CB 3.89Å; L222-A226 HydrophobicContact CG-CB 4.22Å; P223-A226 WeakPolarHBondContact O-CB 3.4Å; P223-A226 PolarHBondContact O-N 3Å; L224-A226 PolarHBondContact O-N 3.02Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.35Å; A226-S229 WeakPolarHBondContact CA-OG 3.26Å; A226-S229 PolarHBondContact O-OG 3.47Å; A226-S229 VanDerWaalsContact O-OG 3.09Å; A226-V230 VanDerWaalsContact O-CG2 3.26Å; A226-V230 WeakPolarHBondContact O-CG2 2.94Å; A226-V230 PolarHBondContact O-N 3.1Å
227	F	47.8	Very low	49	Very low	1 Å²	1	66.6 Å²	66.6	0%	0.004	38%	0.377	C	S	.	.	H	α-helix	trans	-62.4	-40.1	171.7	-157.9	-73	0	0	0	110.4	Y75 L79 I161 I163 V218 L224 V230 V231	Y75-F227 AromaticContact CD1-CD2 3.63Å; Y75-F227 HydrophobicContact CD1-CD2 3.63Å; Y75-F227 AromaticContact CD1-CE2 3.84Å; Y75-F227 HydrophobicContact CD1-CE2 3.84Å; Y75-F227 HydrophobicContact CD1-CG 4.32Å; Y75-F227 AromaticContact CE1-CD2 3.87Å; Y75-F227 HydrophobicContact CE1-CD2 3.87Å; Y75-F227 HydrophobicContact CE1-CE2 4.4Å; Y75-F227 HydrophobicContact CG-CD2 4.26Å; Y75-F227 HydrophobicContact CG-CE2 4Å; L79-F227 HydrophobicContact CD1-CD1 4.4Å; L79-F227 HydrophobicContact CD1-CE1 3.65Å; L79-F227 HydrophobicContact CD1-CZ 4.24Å; L79-F227 HydrophobicContact CD2-CD1 4.38Å; L79-F227 HydrophobicContact CD2-CE1 4.37Å; L79-F227 HydrophobicContact CG-CE1 4.44Å; I161-F227 HydrophobicContact CB-CZ 4.5Å; I161-F227 HydrophobicContact CD1-CE1 3.96Å; I161-F227 HydrophobicContact CD1-CZ 4.13Å; I161-F227 HydrophobicContact CG2-CE1 4.26Å; I161-F227 HydrophobicContact CG2-CE2 3.96Å; I161-F227 HydrophobicContact CG2-CZ 3.59Å; I163-F227 HydrophobicContact CD1-CE2 4.32Å; I163-F227 HydrophobicContact CG1-CE2 3.9Å; V218-F227 HydrophobicContact CB-CD2 3.55Å; V218-F227 HydrophobicContact CB-CE2 3.92Å; V218-F227 HydrophobicContact CB-CG 4.24Å; V218-F227 HydrophobicContact CG1-CB 3.75Å; V218-F227 HydrophobicContact CG1-CD2 3.26Å; V218-F227 HydrophobicContact CG1-CE2 4.11Å; V218-F227 HydrophobicContact CG1-CG 3.82Å; V218-F227 HydrophobicContact CG2-CB 4.26Å; V218-F227 HydrophobicContact CG2-CD1 4.42Å; V218-F227 HydrophobicContact CG2-CD2 3.53Å; V218-F227 HydrophobicContact CG2-CE2 3.82Å; V218-F227 HydrophobicContact CG2-CG 3.82Å; V218-F227 HydrophobicContact CG2-CZ 4.39Å; L224-F227 HydrophobicContact CD2-CB 4.42Å; L224-F227 WeakPolarHBondContact O-CA 3.36Å; L224-F227 WeakPolarHBondContact O-CB 3.43Å; L224-F227 PolarHBondContact O-N 2.86Å; F227-V230 PolarHBondContact O-N 2.95Å; F227-V231 HydrophobicContact CD1-CG2 4.19Å; F227-V231 HydrophobicContact CE1-CG2 4.09Å; F227-V231 PolarHBondContact O-N 2.74Å
228	L	48.4	Very low	46.2	Very low	15 Å²	15	68.2 Å²	68.2	8%	0.079	40%	0.396	C	S	.	.	H	α-helix	trans	-63.8	-53.2	179.1	-72.6	163.8	0	0	0	112.1	V48 W78 F83 L224 L225 A226 V230 V231 F232	V48-L228 HydrophobicContact CG1-CD2 4.13Å; V48-L228 HydrophobicContact CG2-CD1 3.85Å; V48-L228 HydrophobicContact CG2-CD2 4.29Å; W78-L228 HydrophobicContact CH2-CD1 4.12Å; W78-L228 HydrophobicContact CH2-CD2 4.42Å; W78-L228 HydrophobicContact CH2-CG 4.43Å; W78-L228 HydrophobicContact CZ3-CD2 4.32Å; F83-L228 HydrophobicContact CE1-CD2 4.41Å; F83-L228 HydrophobicContact CE2-CD2 3.65Å; F83-L228 HydrophobicContact CZ-CD2 3.35Å; L224-L228 PolarHBondContact O-N 3.47Å; L225-L228 HydrophobicContact CD2-CD1 4.21Å; L225-L228 PolarHBondContact O-N 3.09Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.35Å; L228-V230 PolarHBondContact O-N 3.38Å; L228-V231 PolarHBondContact O-N 2.58Å; L228-F232 HydrophobicContact CB-CD2 4.36Å; L228-F232 HydrophobicContact CB-CE2 4.46Å; L228-F232 HydrophobicContact CD2-CE2 4.18Å; L228-F232 WeakPolarHBondContact O-CD2 3.4Å; L228-F232 PolarHBondContact O-N 3.41Å
229	S	43.7	Very low	43.6	Very low	72 Å²	72	76.8 Å²	76.8	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-56.1	-26.9	-178.7	36.7	0	0	0	0	113.6	L225 A226 F232	L225-S229 PolarHBondContact O-N 3.36Å; L225-S229 PolarHBondContact O-OG 2.93Å; A226-S229 WeakPolarHBondContact CA-OG 3.26Å; A226-S229 PolarHBondContact O-OG 3.47Å; A226-S229 VanDerWaalsContact O-OG 3.09Å; S229-F232 PolarHBondContact O-N 3.49Å
230	V	48.2	Very low	41.4	Very low	28 Å²	28	78.3 Å²	78.3	17%	0.17	44%	0.443	C	S	.	.	H	α-helix	trans	-75.1	-36.7	177.5	169.3	0	0	0	0	113.1	R216 L217 V218 A226 F227 L228 F232	R216-V230 HydrophobicContact CB-CG1 3.33Å; R216-V230 HydrophobicContact CG-CG1 3.75Å; L217-V230 WeakPolarHBondContact O-CG2 3.25Å; V218-V230 HydrophobicContact CG2-CB 4.03Å; V218-V230 HydrophobicContact CG2-CG1 3.87Å; V218-V230 HydrophobicContact CG2-CG2 4.16Å; A226-V230 VanDerWaalsContact O-CG2 3.26Å; A226-V230 WeakPolarHBondContact O-CG2 2.94Å; A226-V230 PolarHBondContact O-N 3.1Å; F227-V230 PolarHBondContact O-N 2.95Å; L228-V230 PolarHBondContact O-N 3.38Å; V230-F232 VanDerWaalsContact C-N 3.27Å; V230-F232 PolarHBondContact O-N 3.23Å
231	V	48.7	Very low	39.5	Very low	33 Å²	33	81.4 Å²	81.4	20%	0.2	46%	0.463	C	S	.	.	H	α-helix	trans	-71.9	-23.4	173.7	179.9	0	0	0	0	111.5	F62 I161 F227 L228 V233	F62-V231 HydrophobicContact CZ-CG1 4.48Å; I161-V231 HydrophobicContact CD1-CG2 3.74Å; F227-V231 HydrophobicContact CD1-CG2 4.19Å; F227-V231 HydrophobicContact CE1-CG2 4.09Å; F227-V231 PolarHBondContact O-N 2.74Å; L228-V231 PolarHBondContact O-N 2.58Å; V231-V233 PolarHBondContact O-N 3.19Å
232	F	47	Very low	38.1	Very low	74 Å²	74	79.7 Å²	79.7	33%	0.325	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.7	-166.4	-94.9	-65.8	0	0	0	118.1	V48 V49 L50 L228 S229 V230 Y234	V48-F232 HydrophobicContact CG1-CE2 3.32Å; V48-F232 HydrophobicContact CG1-CZ 3.35Å; V49-F232 WeakPolarHBondContact O-CE1 3.46Å; V49-F232 WeakPolarHBondContact O-CZ 3.05Å; L50-F232 HydrophobicContact CD1-CZ 4.33Å; L228-F232 HydrophobicContact CB-CD2 4.36Å; L228-F232 HydrophobicContact CB-CE2 4.46Å; L228-F232 HydrophobicContact CD2-CE2 4.18Å; L228-F232 WeakPolarHBondContact O-CD2 3.4Å; L228-F232 PolarHBondContact O-N 3.41Å; S229-F232 PolarHBondContact O-N 3.49Å; V230-F232 VanDerWaalsContact C-N 3.27Å; V230-F232 PolarHBondContact O-N 3.23Å; F232-Y234 PolarHBondContact O-N 2.88Å
233	V	41.8	Very low	37.2	Very low	93 Å²	93	80.2 Å²	80.2	56%	0.564	47%	0.468	S	S	*	.			trans	-92.2	72.7	179.4	-168.7	0	0	0	0	110.8	V231	V231-V233 PolarHBondContact O-N 3.19Å
234	Y	34.5	Very low	36	Very low	153 Å²	153	85.1 Å²	85.1	60%	0.6	49%	0.485	S	S	*	.			trans	-153.1	86.3	161.2	-128.3	-81.5	0	0	0	112.3	F232	F232-Y234 PolarHBondContact O-N 2.88Å
235	S	32.8	Very low	35.1	Very low	74 Å²	74	89.3 Å²	89.3	52%	0.517	52%	0.516	S	S	.	.			trans	-158.8	109.2	147.1	-176.9	0	0	0	0	110.3	S237	S235-S237 VanDerWaalsContact C-N 3.27Å; S235-S237 PolarHBondContact OG-N 3.4Å; S235-S237 PolarHBondContact OG-O 3.49Å; S235-S237 VanDerWaalsContact OG-O 3.04Å
236	G	27.7	Very low	34.2	Very low	86 Å²	86	95.6 Å²	95.6	89%	0.887	54%	0.54	S	S	*	.			trans	-89.6	25.7	164	0	0	0	0	0	113
237	S	25.4	Very low	33.2	Very low	97 Å²	97	104.1 Å²	104.1	68%	0.678	57%	0.569	S	S	*	*	S	Bend	trans	-141.8	122.9	178.1	-91.6	0	0	0	0	113.1	S235 K239	S235-S237 VanDerWaalsContact C-N 3.27Å; S235-S237 PolarHBondContact OG-N 3.4Å; S235-S237 PolarHBondContact OG-O 3.49Å; S235-S237 VanDerWaalsContact OG-O 3.04Å; S237-K239 PolarHBondContact O-N 3.24Å
238	S	24.5	Very low	32.1	Very low	125 Å²	125	110.1 Å²	110.1	87%	0.874	61%	0.609	S	S	*	*	S	Bend	trans	-52.9	100	174.9	-63.3	0	0	0	0	112.6
239	K	23.7	Very low	31.1	Very low	186 Å²	186	115.6 Å²	115.6	81%	0.809	64%	0.637	S	S	*	*			trans	-178	103.3	143.3	-98.4	161.9	-170.4	-172	0	107.7	S237	S237-K239 PolarHBondContact O-N 3.24Å
240	K	25.8	Very low	30.3	Very low	189 Å²	189	117.7 Å²	117.7	82%	0.822	65%	0.652	S	S	*	*			trans	-83.2	120.6	172.8	-66.6	179.2	178.2	-179.7	0	107.5
241	T	24.3	Very low	29.8	Very low	92 Å²	92	125.2 Å²	125.2	56%	0.564	71%	0.706	S	S	*	*			trans	-111.8	113.2	162.6	-50.7	0	0	0	0	106.3
242	V	27	Very low	28.8	Very low	99 Å²	99	129.9 Å²	129.9	60%	0.6	73%	0.731	S	S	*	*			trans	-77.5	124	173.1	178.2	0	0	0	0	106.9
243	V	27.2	Very low	27.9	Very low	99 Å²	99	132.8 Å²	132.8	60%	0.6	75%	0.753	S	S	*	*			trans	-102.2	106.9	166.6	-177	0	0	0	0	105.8
244	E	22.8	Very low	27.1	Very low	172 Å²	172	135 Å²	135	80%	0.804	76%	0.763	S	S	*	*			trans	-67.7	133	169.6	-78.1	-176.6	150.6	0	0	109.1	K246	E244-K246 PolarHBondContact O-N 3.33Å
245	S	27.7	Very low	26.7	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	77%	0.773	S	S	*	*			trans	-66.8	129.9	171.9	64.5	0	0	0	0	109.5	Y247	S245-Y247 VanDerWaalsContact C-N 3.29Å; S245-Y247 PolarHBondContact O-N 3.49Å
246	K	25.2	Very low	26.3	Very low	192 Å²	192	137.7 Å²	137.7	84%	0.835	79%	0.789	S	S	*	*	S	Bend	trans	-85.4	60.9	174.5	-86	-174.1	172.9	-179	0	111	E244	E244-K246 PolarHBondContact O-N 3.33Å
247	Y	23.2	Very low	26.2	Very low	201 Å²	201	141.1 Å²	141.1	79%	0.788	78%	0.782	S	S	*	*			trans	-144.1	117.5	164.8	-67.3	-75.4	0	0	0	110	S245 L249	S245-Y247 VanDerWaalsContact C-N 3.29Å; S245-Y247 PolarHBondContact O-N 3.49Å; Y247-L249 PolarHBondContact O-N 3.23Å
248	P	25.4	Very low	26.3	Very low	128 Å²	128	144.3 Å²	144.3	83%	0.831	79%	0.79	S	S	*	*			trans	-74	126.5	172.3	30.4	-28.9	0	0	0	108.4	S250	P248-S250 PolarHBondContact O-N 3.2Å; P248-S250 VanDerWaalsContact O-N 3.14Å
249	L	25.8	Very low	26.4	Very low	129 Å²	129	145.8 Å²	145.8	68%	0.675	78%	0.783	S	S	*	*			trans	-62.4	113.2	170.3	-66	167.7	0	0	0	108.4	E45 Y247 S251	E45-L249 WeakPolarHBondContact OE1-CD2 3.47Å; E45-L249 VanDerWaalsContact OE2-CD1 3.24Å; E45-L249 WeakPolarHBondContact OE2-CD1 3.36Å; E45-L249 WeakPolarHBondContact OE2-CD2 3.25Å; Y247-L249 PolarHBondContact O-N 3.23Å; L249-S251 PolarHBondContact O-N 2.98Å
250	S	28.4	Very low	26.6	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	78%	0.781	S	S	*	*			trans	-72.5	122.7	166.4	56.9	0	0	0	0	108.5	P248	P248-S250 PolarHBondContact O-N 3.2Å; P248-S250 VanDerWaalsContact O-N 3.14Å
251	S	36.8	Very low	26.7	Very low	187 Å²	187	138.2 Å²	138.2	100%	1.308	78%	0.777	S	S	*	*			trans	-41.8	0	174.2	55.5	0	0	0	0	116	L249	L249-S251 PolarHBondContact O-N 2.98Å

Retrieved 251 of 251 residues in 98.4 ms (Link to these results)

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