A0A3Q0KUM2_SCHMA Loading...

dihydropyrimidinase

AlphaFold DB , UniProt , Accession A0A3Q0KUM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 606 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	31.3	Very low	34.4	Very low	250 Å²	250	144.2 Å²	144.2	100%	1.232	78%	0.782	S	S	*	*				0	91.5	0	-64.7	-176.9	-171.7	0	0	107.8
2	S	35.1	Very low	34.8	Very low	118 Å²	118	140.3 Å²	140.3	83%	0.825	77%	0.77	S	S	*	*			trans	-141.9	123.6	-177.3	62.1	0	0	0	0	111.1
3	H	32.8	Very low	35.2	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.806	76%	0.76	S	S	*	*			trans	-49.4	131	172	-67.2	-87.6	0	0	0	113.4
4	R	33.2	Very low	35.1	Very low	224 Å²	224	137.4 Å²	137.4	85%	0.845	74%	0.736	S	S	*	*			trans	-135	81.9	144.2	-120.9	-175.3	-168.8	-177.3	3.4	107.7	E6	R4-E6 PolarHBondContact O-N 3.02Å
5	R	32.9	Very low	35.1	Very low	232 Å²	232	133.5 Å²	133.5	88%	0.875	71%	0.714	S	S	*	*			trans	-77.7	97.4	159	-81.6	-175.8	175.7	178.9	-1.8	105.9	A7	R5-A7 PolarHBondContact O-N 3.27Å
6	E	37.1	Very low	35.2	Very low	152 Å²	152	131.4 Å²	131.4	71%	0.71	71%	0.71	S	S	*	*			trans	-68.7	118.4	160.9	-74.8	-177.9	176	0	0	107.5	R4 G8	R4-E6 PolarHBondContact O-N 3.02Å; E6-G8 PolarHBondContact O-N 2.87Å
7	A	31.6	Very low	35.3	Very low	110 Å²	110	133.7 Å²	133.7	91%	0.909	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	121.2	177.8	0	0	0	0	0	109.9	R5	R5-A7 PolarHBondContact O-N 3.27Å
8	G	38.7	Very low	35.3	Very low	76 Å²	76	136.2 Å²	136.2	78%	0.784	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	127	-9.9	168.2	0	0	0	0	0	116.4	E6 I10	E6-G8 PolarHBondContact O-N 2.87Å; G8-I10 PolarHBondContact O-N 3.39Å
9	A	34.9	Very low	35.2	Very low	87 Å²	87	137.9 Å²	137.9	72%	0.719	73%	0.725	S	S	*	*			trans	-76.7	112.7	174.6	0	0	0	0	0	110.4
10	I	39.5	Very low	34.9	Very low	115 Å²	115	141.6 Å²	141.6	59%	0.59	74%	0.735	S	S	*	*			trans	-58.5	129.6	165.1	-64.4	172.4	0	0	0	106.8	G8 V14	G8-I10 PolarHBondContact O-N 3.39Å; I10-V14 HydrophobicContact CG2-CB 3.54Å; I10-V14 HydrophobicContact CG2-CG1 3.85Å; I10-V14 HydrophobicContact CG2-CG2 4.19Å
11	P	31.7	Very low	34.7	Very low	48 Å²	48	144.7 Å²	144.7	31%	0.312	74%	0.737	S	S	.	*			trans	-57.9	139.9	177.5	-16.1	25.4	0	0	0	110.6	W13 V14	P11-W13 HydrophobicContact CB-CD2 3.48Å; P11-W13 VanDerWaalsContact CB-CD2 3.48Å; P11-W13 HydrophobicContact CB-CE3 3.58Å; P11-W13 HydrophobicContact CB-CG 4.3Å; P11-W13 HydrophobicContact CB-CH2 3.43Å; P11-W13 VanDerWaalsContact CB-CH2 3.43Å; P11-W13 HydrophobicContact CB-CZ2 3.28Å; P11-W13 HydrophobicContact CB-CZ3 3.56Å; P11-W13 HydrophobicContact CG-CH2 4.13Å; P11-W13 HydrophobicContact CG-CZ2 3.72Å; P11-W13 PolarHBondContact O-N 3.32Å; P11-V14 HydrophobicContact CB-CG2 4.22Å; P11-V14 HydrophobicContact CG-CG2 4.06Å; P11-V14 PolarHBondContact O-N 3.39Å
12	P	39.4	Very low	34.5	Very low	97 Å²	97	138.5 Å²	138.5	63%	0.63	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-11.1	-172.6	22.4	-32.4	0	0	0	114.9
13	W	39.6	Very low	34.3	Very low	171 Å²	171	141.8 Å²	141.8	65%	0.648	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-7.7	175	63.6	84.5	0	0	0	114.4	P11 I15	P11-W13 HydrophobicContact CB-CD2 3.48Å; P11-W13 VanDerWaalsContact CB-CD2 3.48Å; P11-W13 HydrophobicContact CB-CE3 3.58Å; P11-W13 HydrophobicContact CB-CG 4.3Å; P11-W13 HydrophobicContact CB-CH2 3.43Å; P11-W13 VanDerWaalsContact CB-CH2 3.43Å; P11-W13 HydrophobicContact CB-CZ2 3.28Å; P11-W13 HydrophobicContact CB-CZ3 3.56Å; P11-W13 HydrophobicContact CG-CH2 4.13Å; P11-W13 HydrophobicContact CG-CZ2 3.72Å; P11-W13 PolarHBondContact O-N 3.32Å; W13-I15 PolarHBondContact O-N 3.05Å
14	V	33.3	Very low	34.2	Very low	70 Å²	70	140.9 Å²	140.9	42%	0.424	72%	0.717	S	S	.	*			trans	-84	102.9	176.8	178	0	0	0	0	108.2	I10 P11 P16	I10-V14 HydrophobicContact CG2-CB 3.54Å; I10-V14 HydrophobicContact CG2-CG1 3.85Å; I10-V14 HydrophobicContact CG2-CG2 4.19Å; P11-V14 HydrophobicContact CB-CG2 4.22Å; P11-V14 HydrophobicContact CG-CG2 4.06Å; P11-V14 PolarHBondContact O-N 3.39Å; V14-P16 VanDerWaalsContact O-CD 3.28Å; V14-P16 WeakPolarHBondContact O-CD 3.5Å
15	I	36.1	Very low	33.9	Very low	78 Å²	78	138.8 Å²	138.8	40%	0.4	71%	0.714	S	S	.	*	P	Polyproline II helix	trans	-64.5	117.3	166.6	-58.1	171.4	0	0	0	106.7	W13 E17 P411 P418	W13-I15 PolarHBondContact O-N 3.05Å; I15-E17 PolarHBondContact O-N 3.33Å; I15-P411 HydrophobicContact CG1-CG 4.04Å; I15-P418 WeakPolarHBondContact CD1-O 3.35Å
16	P	36.1	Very low	33.7	Very low	100 Å²	100	134.6 Å²	134.6	65%	0.649	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-62.3	121.8	173.8	-16.1	29.4	0	0	0	108.3	V14 E18	V14-P16 VanDerWaalsContact O-CD 3.28Å; V14-P16 WeakPolarHBondContact O-CD 3.5Å; P16-E18 PolarHBondContact O-N 3.02Å
17	E	36.9	Very low	33.2	Very low	171 Å²	171	134.8 Å²	134.8	80%	0.799	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55	135.2	166.9	-72.3	-171.6	166.9	0	0	108.7	I15 H19	I15-E17 PolarHBondContact O-N 3.33Å; E17-H19 VanDerWaalsContact C-N 3.32Å; E17-H19 PolarHBondContact O-N 3.44Å
18	E	34.6	Very low	33.1	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	71%	0.705	S	S	*	*			trans	-62.1	96.4	172	-74.4	-171.4	165.5	0	0	108.9	P16 K20	P16-E18 PolarHBondContact O-N 3.02Å; E18-K20 PolarHBondContact O-N 3.44Å
19	H	34.4	Very low	32.6	Very low	169 Å²	169	140.1 Å²	140.1	78%	0.782	70%	0.699	S	S	*	*			trans	-57.4	113	165.2	-81	-66.5	0	0	0	107.6	E17 R21	E17-H19 VanDerWaalsContact C-N 3.32Å; E17-H19 PolarHBondContact O-N 3.44Å; H19-R21 PolarHBondContact O-N 3.02Å
20	K	29.4	Very low	32.4	Very low	212 Å²	212	141.5 Å²	141.5	92%	0.922	70%	0.7	S	S	*	*			trans	-51.7	85.5	166.6	-72.8	179.3	177.7	176.3	0	109.1	E18 S22	E18-K20 PolarHBondContact O-N 3.44Å; K20-S22 PolarHBondContact O-N 2.63Å
21	R	29.6	Very low	32	Very low	207 Å²	207	143.1 Å²	143.1	78%	0.781	71%	0.709	S	S	*	*			trans	-70.6	118.2	164.7	-80.1	-174.6	175.5	176.9	0.4	105.9	H19 F23	H19-R21 PolarHBondContact O-N 3.02Å; R21-F23 VanDerWaalsContact C-N 3.34Å; R21-F23 VanDerWaalsContact O-CD2 3.31Å; R21-F23 WeakPolarHBondContact O-CD2 3.41Å; R21-F23 PolarHBondContact O-N 3.14Å
22	S	28.7	Very low	31.9	Very low	119 Å²	119	146.2 Å²	146.2	83%	0.832	73%	0.729	S	S	*	*			trans	-54.2	97.3	169.4	51.4	0	0	0	0	109	K20 I24	K20-S22 PolarHBondContact O-N 2.63Å; S22-I24 PolarHBondContact O-N 2.82Å
23	F	30.1	Very low	31.5	Very low	188 Å²	188	148.3 Å²	148.3	83%	0.825	73%	0.734	S	S	*	*			trans	-72.1	115.2	168.7	-82.4	-86.6	0	0	0	107.9	R21 K25	R21-F23 VanDerWaalsContact C-N 3.34Å; R21-F23 VanDerWaalsContact O-CD2 3.31Å; R21-F23 WeakPolarHBondContact O-CD2 3.41Å; R21-F23 PolarHBondContact O-N 3.14Å; F23-K25 PolarHBondContact O-N 2.89Å
24	I	31.5	Very low	31.2	Very low	154 Å²	154	147.6 Å²	147.6	79%	0.79	74%	0.743	S	S	*	*			trans	-53.8	119.8	154.8	-67.7	171	0	0	0	105.6	S22 N26	S22-I24 PolarHBondContact O-N 2.82Å; I24-N26 PolarHBondContact O-N 2.94Å
25	K	26.1	Very low	31	Very low	181 Å²	181	148.3 Å²	148.3	79%	0.787	76%	0.756	S	S	*	*			trans	-54.3	99.2	178	-72.9	-179.4	173.3	-173.2	0	109.8	F23	F23-K25 PolarHBondContact O-N 2.89Å
26	N	28.2	Very low	30.7	Very low	144 Å²	144	151.5 Å²	151.5	77%	0.77	77%	0.774	S	S	*	*			trans	-116.6	98	150.4	-85.4	-10.8	0	0	0	105.5	I24 I28	I24-N26 PolarHBondContact O-N 2.94Å; N26-I28 PolarHBondContact O-N 3.42Å
27	E	26.5	Very low	30.7	Very low	155 Å²	155	155.4 Å²	155.4	72%	0.724	78%	0.783	S	S	*	*			trans	-57.4	106.2	174.4	-72.1	170.1	172.6	0	0	108.9
28	I	29.6	Very low	30.2	Very low	159 Å²	159	155.9 Å²	155.9	82%	0.815	79%	0.785	S	S	*	*			trans	-113.1	87.6	157.9	-57.7	178.1	0	0	0	104.8	N26	N26-I28 PolarHBondContact O-N 3.42Å
29	H	29.4	Very low	30.1	Very low	139 Å²	139	154.5 Å²	154.5	64%	0.644	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63	135.7	169.1	-81.7	-77.2	0	0	0	109.2	I31	H29-I31 PolarHBondContact O-N 3.09Å
30	P	30.7	Very low	30	Very low	116 Å²	116	155.4 Å²	155.4	75%	0.753	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65.3	119.4	165.1	28.9	-30.2	0	0	0	107.1	P32	P30-P32 VanDerWaalsContact O-CD 3.29Å; P30-P32 WeakPolarHBondContact O-CD 3.44Å
31	I	30.6	Very low	29.8	Very low	149 Å²	149	153.8 Å²	153.8	76%	0.764	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-59.8	118.4	179.5	-63	165.8	0	0	0	108.3	H29 L33	H29-I31 PolarHBondContact O-N 3.09Å; I31-L33 PolarHBondContact O-N 3.03Å
32	P	30.2	Very low	30	Very low	114 Å²	114	151.5 Å²	151.5	74%	0.74	79%	0.788	S	S	*	*			trans	-78.5	111.9	167.2	30.7	-25.3	0	0	0	107.4	P30 N34	P30-P32 VanDerWaalsContact O-CD 3.29Å; P30-P32 WeakPolarHBondContact O-CD 3.44Å; P32-N34 VanDerWaalsContact C-N 3.33Å; P32-N34 PolarHBondContact O-N 3.06Å; P32-N34 VanDerWaalsContact O-N 3.1Å
33	L	29.2	Very low	30	Very low	140 Å²	140	152.5 Å²	152.5	73%	0.733	78%	0.784	S	S	*	*			trans	-73.6	91.2	162.7	-87.8	140.5	0	0	0	107.4	I31	I31-L33 PolarHBondContact O-N 3.03Å
34	N	33.8	Very low	30.2	Very low	157 Å²	157	148.6 Å²	148.6	84%	0.84	78%	0.78	S	S	*	*			trans	-148.2	110.6	155.4	-91.4	-17	0	0	0	108.4	P32	P32-N34 VanDerWaalsContact C-N 3.33Å; P32-N34 PolarHBondContact O-N 3.06Å; P32-N34 VanDerWaalsContact O-N 3.1Å
35	A	28.9	Very low	30.3	Very low	84 Å²	84	145.9 Å²	145.9	69%	0.694	78%	0.775	S	S	*	*			trans	-78.8	148.1	163.3	0	0	0	0	0	109
36	D	31.1	Very low	30.5	Very low	146 Å²	146	144 Å²	144	78%	0.781	77%	0.773	S	S	*	*			trans	95.8	125.7	155.6	-52.2	-27.1	0	0	0	120.2
37	H	34.6	Very low	30.9	Very low	182 Å²	182	146.3 Å²	146.3	84%	0.843	78%	0.779	S	S	*	*			trans	95	89.4	159.5	-66	-60.6	0	0	0	120.6
38	E	27	Very low	31	Very low	180 Å²	180	144.2 Å²	144.2	84%	0.841	78%	0.777	S	S	*	*			trans	-31.3	129.9	147.6	-61.7	175.3	131.4	0	0	115.2
39	V	33.2	Very low	31.1	Very low	149 Å²	149	144 Å²	144	90%	0.903	78%	0.776	S	S	*	*			trans	-144.9	131.8	137.9	-176.6	0	0	0	0	109.5
40	K	31.2	Very low	31.1	Very low	188 Å²	188	142.8 Å²	142.8	82%	0.817	78%	0.783	S	S	*	*			trans	-70.3	137.7	-171.2	-67.4	166.1	174.2	171.2	0	114.1
41	E	26.3	Very low	31	Very low	178 Å²	178	147.2 Å²	147.2	83%	0.832	79%	0.794	S	S	*	*			trans	-75.5	139.3	159.2	-80.7	-176.8	153.5	0	0	111.3
42	I	33.9	Very low	30.9	Very low	159 Å²	159	143.3 Å²	143.3	82%	0.815	79%	0.791	S	S	*	*			trans	-126.3	114.7	160.2	-63.8	175.1	0	0	0	107.2
43	N	28.7	Very low	30.8	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	80%	0.797	S	S	*	*			trans	-84.6	137.5	164.2	-78.7	-40.2	0	0	0	109.6
44	S	34	Very low	30.7	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	80%	0.796	S	S	*	*			trans	-179.4	128.1	134.8	54.6	0	0	0	0	114.2
45	S	33.3	Very low	30.4	Very low	98 Å²	98	141 Å²	141	69%	0.685	79%	0.793	S	S	*	*			trans	69.7	114.8	138.7	62.2	0	0	0	0	122.2
46	D	30.3	Very low	30.3	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	79%	0.792	S	S	*	*				48.9	115.5	124.3	-58.3	-20.2	0	0	0	119.8
47	H	36.6	Very low	30.1	Very low	193 Å²	193	140 Å²	140	89%	0.894	79%	0.787	S	S	*	*				-163.8	149.9	121.4	-94.7	-57.1	0	0	0	113
48	T	29.2	Very low	30.1	Very low	111 Å²	111	138.4 Å²	138.4	68%	0.681	78%	0.784	S	S	*	*			trans	-83.1	154.2	-165.6	40.1	0	0	0	0	116
49	I	30.5	Very low	30.5	Very low	154 Å²	154	137.3 Å²	137.3	79%	0.79	78%	0.783	S	S	*	*			trans	83.5	110.1	150.2	-59.1	144.8	0	0	0	118.3
50	S	29.6	Very low	30.8	Very low	114 Å²	114	139 Å²	139	80%	0.797	78%	0.778	S	S	*	*				176.1	135.4	100.8	43	0	0	0	0	111.4	G52	S50-G52 PolarHBondContact O-N 2.73Å
51	E	28.2	Very low	31.6	Very low	208 Å²	208	135.7 Å²	135.7	97%	0.972	78%	0.776	S	S	*	*			trans	-64	122.5	179.9	-65.7	173.5	151.3	0	0	111
52	G	29.2	Very low	33.3	Very low	68 Å²	68	135.7 Å²	135.7	70%	0.701	77%	0.773	S	S	*	*			trans	-149.6	96.8	174.9	0	0	0	0	0	109.1	S50 A54	S50-G52 PolarHBondContact O-N 2.73Å; G52-A54 PolarHBondContact O-N 3.4Å
53	S	27.3	Very low	35	Very low	124 Å²	124	133 Å²	133	87%	0.867	76%	0.756	S	S	*	*			trans	-42.3	104.6	172.4	155.3	0	0	0	0	112.4
54	A	28.3	Very low	37.6	Very low	87 Å²	87	130.1 Å²	130.1	72%	0.719	74%	0.737	S	S	*	*			trans	-135.2	89.8	160.3	0	0	0	0	0	107.9	G52 S56	G52-A54 PolarHBondContact O-N 3.4Å; A54-S56 PolarHBondContact O-N 3.27Å
55	I	27.7	Very low	40.2	Very low	150 Å²	150	126.3 Å²	126.3	77%	0.769	71%	0.708	S	S	*	*			trans	-64	92.6	164.7	-62.9	170.4	0	0	0	105.8	T57	I55-T57 VanDerWaalsContact C-N 3.32Å; I55-T57 PolarHBondContact O-N 3Å
56	S	26.6	Very low	42.9	Very low	99 Å²	99	122 Å²	122	69%	0.692	68%	0.677	S	S	*	*			trans	-71.7	95.4	164.7	48.3	0	0	0	0	106.8	A54 I58	A54-S56 PolarHBondContact O-N 3.27Å; S56-I58 PolarHBondContact O-N 3.26Å
57	T	27.4	Very low	45.9	Very low	110 Å²	110	116.4 Å²	116.4	68%	0.675	65%	0.646	S	S	*	*			trans	-61.1	102.7	166.4	-43.8	0	0	0	0	106.8	I55 L59	I55-T57 VanDerWaalsContact C-N 3.32Å; I55-T57 PolarHBondContact O-N 3Å; T57-L59 PolarHBondContact O-N 3.49Å
58	I	34.2	Very low	48.7	Very low	150 Å²	150	107.2 Å²	107.2	77%	0.769	60%	0.603	S	S	*	*			trans	-61.1	94.6	168.7	-64.8	160.9	0	0	0	106	S56 K60	S56-I58 PolarHBondContact O-N 3.26Å; I58-K60 PolarHBondContact O-N 3.25Å
59	L	34.7	Very low	51.8	Low	156 Å²	156	103.2 Å²	103.2	82%	0.817	58%	0.579	S	S	*	*			trans	-60.1	107.8	171.6	-81.7	155.2	0	0	0	106.9	T57	T57-L59 PolarHBondContact O-N 3.49Å
60	K	38.7	Very low	54.6	Low	184 Å²	184	97.3 Å²	97.3	80%	0.8	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-55.1	134.5	169.9	-71.5	-178.4	178.9	179.2	0	107.8	I58 K62	I58-K60 PolarHBondContact O-N 3.25Å; K60-K62 PolarHBondContact O-N 3.1Å
61	P	48.9	Very low	57.6	Low	120 Å²	120	92 Å²	92	78%	0.779	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-54.1	133.2	175.5	22.3	-31.6	0	0	0	109	K63	P61-K63 PolarHBondContact O-N 3.36Å; P61-K63 VanDerWaalsContact O-N 3.17Å
62	K	61.6	Low	60.8	Low	177 Å²	177	84 Å²	84	77%	0.77	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-61.7	117.8	177.9	-173.4	177.2	179.7	-178.6	0	107.4	K60	K60-K62 PolarHBondContact O-N 3.1Å
63	K	69.8	Low	64	Low	104 Å²	104	80.8 Å²	80.8	45%	0.452	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-60.6	142.6	177.2	-68.5	-166.8	176.4	-166	0	110.4	P61 Q65 E87 D88	P61-K63 PolarHBondContact O-N 3.36Å; P61-K63 VanDerWaalsContact O-N 3.17Å; K63-Q65 HydrophobicContact CB-CG 4.25Å; K63-Q65 PolarHBondContact O-N 2.81Å; K63-E87 HydrophobicContact CD-CB 4.39Å; K63-E87 WeakPolarHBondContact CD-OE2 3.3Å; K63-E87 IonicContact NZ-OE2 2.87Å; K63-E87 PolarHBondContact NZ-OE2 3.09Å; K63-D88 WeakPolarHBondContact CA-OD1 3.37Å; K63-D88 WeakPolarHBondContact CD-OD2 3.4Å; K63-D88 WeakPolarHBondContact CG-OD2 3.36Å
64	E	82.7	Confident	67.4	Low	79 Å²	79	74.9 Å²	74.9	37%	0.369	41%	0.407	S	S	.	.			trans	-77.9	113	171.9	-64.2	-177.4	-178.2	0	0	107.7	E87 D88 R448 Q476	E64-E87 CarbonylContact O-C 3.55Å; E64-E87 WeakPolarHBondContact O-CA 3.48Å; E64-D88 PolarHBondContact N-OD1 3.11Å; E64-D88 PolarHBondContact O-N 3.19Å; E64-R448 IonicContact OE1-CZ 2.69Å; E64-R448 IonicContact OE1-NH2 2.75Å; E64-R448 PolarHBondContact OE1-NH2 3.22Å; E64-R448 IonicContact OE2-CZ 3.89Å; E64-R448 VanDerWaalsContact OE2-CZ 3.29Å; E64-R448 IonicContact OE2-NE 3.88Å; E64-R448 PolarHBondContact OE2-NE 2.87Å; E64-R448 IonicContact OE2-NH2 2.79Å; E64-R448 PolarHBondContact OE2-NH2 3.01Å; E64-Q476 PolarHBondContact OE1-NE2 2.99Å; E64-Q476 PolarHBondContact OE2-NE2 3.26Å
65	Q	89	Confident	70.7	Confident	25 Å²	25	70.8 Å²	70.8	12%	0.117	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.9	-177.1	-64.1	-172.9	-21.9	0	0	111.5	K63 I86 E87 T104 P105	K63-Q65 HydrophobicContact CB-CG 4.25Å; K63-Q65 PolarHBondContact O-N 2.81Å; Q65-I86 VanDerWaalsContact CA-O 3.28Å; Q65-I86 WeakPolarHBondContact CA-O 3.41Å; Q65-E87 HydrophobicContact CG-CG 4.1Å; Q65-E87 PolarHBondContact NE2-OE1 3.23Å; Q65-T104 HydrophobicContact CB-CG2 3.76Å; Q65-T104 PolarHBondContact OE1-OG1 3.45Å; Q65-P105 WeakPolarHBondContact O-CD 3.49Å
66	L	91	Very high	74	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.7	169.3	177.8	65.5	0	0	0	108.9	I68 I86 P105 L107 I444 L472	L66-I68 HydrophobicContact CD2-CD1 4.43Å; L66-I68 HydrophobicContact CD2-CG1 4.35Å; L66-I68 HydrophobicContact CG-CG1 4.25Å; L66-I86 HydrophobicContact CB-CB 4.28Å; L66-I86 HydrophobicContact CD2-CD1 4.19Å; L66-I86 PolarHBondContact N-O 3.13Å; L66-I86 PolarHBondContact O-N 3.29Å; L66-P105 HydrophobicContact CD1-CB 4.4Å; L66-L107 HydrophobicContact CD1-CB 4.34Å; L66-I444 HydrophobicContact CD2-CD1 3.68Å; L66-L472 HydrophobicContact CD1-CD1 4.06Å
67	Y	93.7	Very high	77.2	Confident	23 Å²	23	65 Å²	65	9%	0.09	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127	175.6	-175.6	-136.9	0	0	0	110.1	T69 N83 I84 L85 I98 V100 P105 T106 L107	Y67-T69 HydrophobicContact CD1-CG2 3.55Å; Y67-T69 HydrophobicContact CE1-CG2 3.13Å; Y67-T69 HydrophobicContact CE2-CG2 4.16Å; Y67-T69 HydrophobicContact CG-CG2 4.24Å; Y67-T69 VanDerWaalsContact CZ-CG2 3.47Å; Y67-N83 HydrophobicContact CE2-CB 3.63Å; Y67-N83 PolarHBondContact OH-ND2 3.17Å; Y67-I84 CarbonylContact C-O 3.57Å; Y67-I84 WeakPolarHBondContact CA-O 3.43Å; Y67-I84 VanDerWaalsContact CD2-O 3.3Å; Y67-I84 WeakPolarHBondContact CD2-O 2.98Å; Y67-L85 HydrophobicContact CD2-CB 4.42Å; Y67-I98 HydrophobicContact CE2-CB 4.01Å; Y67-I98 HydrophobicContact CE2-CD1 4.2Å; Y67-I98 HydrophobicContact CE2-CG2 4.49Å; Y67-V100 HydrophobicContact CD1-CG1 3.98Å; Y67-V100 HydrophobicContact CD1-CG2 4.01Å; Y67-V100 HydrophobicContact CD2-CG1 3.68Å; Y67-V100 HydrophobicContact CE1-CG1 4.16Å; Y67-V100 HydrophobicContact CE1-CG2 4.12Å; Y67-V100 HydrophobicContact CE2-CG1 3.91Å; Y67-V100 HydrophobicContact CG-CG1 3.74Å; Y67-P105 PolarHBondContact N-O 3.48Å; Y67-T106 HydrophobicContact CD1-CG2 3.89Å; Y67-T106 CarbonylContact O-C 3.48Å; Y67-T106 VanDerWaalsContact O-CA 3.24Å; Y67-T106 WeakPolarHBondContact O-CA 3.26Å; Y67-L107 PolarHBondContact O-N 3.02Å
68	I	94	Very high	80.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.8	179.8	-49.8	178.2	0	0	0	108.7	L66 N83 I84 I86 L107 A109 I114 L424 I444	L66-I68 HydrophobicContact CD2-CD1 4.43Å; L66-I68 HydrophobicContact CD2-CG1 4.35Å; L66-I68 HydrophobicContact CG-CG1 4.25Å; I68-N83 CarbonylContact O-C 3.57Å; I68-N83 WeakPolarHBondContact O-CA 3.47Å; I68-N83 VanDerWaalsContact O-CB 3.25Å; I68-N83 WeakPolarHBondContact O-CB 3.38Å; I68-I84 HydrophobicContact CB-CB 4.26Å; I68-I84 PolarHBondContact N-O 3.03Å; I68-I84 PolarHBondContact O-N 3.35Å; I68-I86 HydrophobicContact CD1-CD1 3.86Å; I68-I86 HydrophobicContact CG1-CD1 4.45Å; I68-L107 CarbonylContact C-O 3.59Å; I68-L107 VanDerWaalsContact CA-O 3.3Å; I68-L107 WeakPolarHBondContact CA-O 3.49Å; I68-L107 HydrophobicContact CD1-CD2 4.33Å; I68-L107 HydrophobicContact CG1-CB 4.4Å; I68-L107 HydrophobicContact CG1-CD2 4.21Å; I68-L107 HydrophobicContact CG2-CD2 4.2Å; I68-L107 HydrophobicContact CG2-CG 4.32Å; I68-A109 HydrophobicContact CG2-CB 3.69Å; I68-I114 HydrophobicContact CG2-CD1 3.7Å; I68-L424 HydrophobicContact CD1-CD1 4.18Å; I68-L424 HydrophobicContact CD1-CD2 4.01Å; I68-I444 HydrophobicContact CD1-CD1 3.55Å
69	T	94.2	Very high	83.4	Confident	28 Å²	28	59 Å²	59	17%	0.172	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154	-173.7	56.2	0	0	0	0	113.2	Y67 G71 N83 T106 L107 A109	Y67-T69 HydrophobicContact CD1-CG2 3.55Å; Y67-T69 HydrophobicContact CE1-CG2 3.13Å; Y67-T69 HydrophobicContact CE2-CG2 4.16Å; Y67-T69 HydrophobicContact CG-CG2 4.24Å; Y67-T69 VanDerWaalsContact CZ-CG2 3.47Å; T69-G71 VanDerWaalsContact C-N 3.27Å; T69-G71 PolarHBondContact O-N 3.01Å; T69-G71 VanDerWaalsContact O-N 3.15Å; T69-N83 VanDerWaalsContact CA-OD1 3.31Å; T69-N83 WeakPolarHBondContact CA-OD1 3.43Å; T69-N83 HydrophobicContact CG2-CB 4.42Å; T69-T106 HydrophobicContact CG2-CG2 3.99Å; T69-L107 PolarHBondContact N-O 3.43Å; T69-A109 CarbonylContact O-C 3.59Å; T69-A109 WeakPolarHBondContact O-CA 3.46Å; T69-A109 WeakPolarHBondContact O-CB 3.19Å; T69-A109 PolarHBondContact O-N 3.01Å
70	G	90.2	Very high	86.3	Confident	30 Å²	30	55.1 Å²	55.1	31%	0.309	28%	0.279	S	S	.	.	S	Bend	trans	80.4	-10	163.2	0	0	0	0	0	117	N83	G70-N83 PolarHBondContact N-OD1 3.29Å
71	G	92.3	Very high	89	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.01	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-79.9	167.4	177.7	0	0	0	0	0	114.6	T69 A109 M112	T69-G71 VanDerWaalsContact C-N 3.27Å; T69-G71 PolarHBondContact O-N 3.01Å; T69-G71 VanDerWaalsContact O-N 3.15Å; G71-A109 VanDerWaalsContact CA-O 3.23Å; G71-A109 WeakPolarHBondContact CA-O 3.47Å; G71-A109 PolarHBondContact N-O 3.36Å; G71-M112 WeakPolarHBondContact CA-O 3.49Å
72	Q	95.3	Very high	91.3	Very high	42 Å²	42	47.1 Å²	47.1	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.1	164.2	-76.5	-175.8	-14.5	0	0	109.6	I79 Q80 F81 M112 L113 I114 Y429	Q72-I79 HydrophobicContact CB-CG2 4.19Å; Q72-Q80 CarbonylContact C-O 3.59Å; Q72-Q80 WeakPolarHBondContact CA-O 3.34Å; Q72-F81 HydrophobicContact CG-CD1 3.45Å; Q72-F81 VanDerWaalsContact CG-CD1 3.45Å; Q72-F81 HydrophobicContact CG-CD2 4.11Å; Q72-F81 HydrophobicContact CG-CE1 3.33Å; Q72-F81 HydrophobicContact CG-CE2 4.02Å; Q72-F81 HydrophobicContact CG-CG 3.87Å; Q72-F81 HydrophobicContact CG-CZ 3.65Å; Q72-M112 PolarHBondContact N-O 2.98Å; Q72-L113 HydrophobicContact CB-CD2 3.88Å; Q72-L113 CarbonylContact O-C 3.59Å; Q72-L113 WeakPolarHBondContact O-CA 3.45Å; Q72-I114 PolarHBondContact O-N 3.33Å; Q72-Y429 WeakPolarHBondContact CB-OH 3.33Å; Q72-Y429 WeakPolarHBondContact CG-OH 3.29Å; Q72-Y429 PolarHBondContact OE1-OH 3.11Å
73	L	97.2	Very high	92.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.7	168.3	-64.1	114.9	0	0	0	109.7	I79 Q80 A82 I84 T94 I114 L416	L73-I79 CarbonylContact O-C 3.52Å; L73-I79 VanDerWaalsContact O-CA 3.29Å; L73-I79 WeakPolarHBondContact O-CA 3.26Å; L73-Q80 HydrophobicContact CB-CG 4.2Å; L73-Q80 HydrophobicContact CD1-CG 4.24Å; L73-Q80 PolarHBondContact N-O 2.92Å; L73-Q80 PolarHBondContact O-N 2.66Å; L73-A82 HydrophobicContact CD1-CB 3.17Å; L73-A82 VanDerWaalsContact CD1-O 3.27Å; L73-A82 WeakPolarHBondContact CD1-O 3.3Å; L73-I84 HydrophobicContact CD2-CD1 3.44Å; L73-I84 VanDerWaalsContact CD2-CD1 3.44Å; L73-I84 HydrophobicContact CD2-CG1 3.68Å; L73-I84 HydrophobicContact CG-CD1 4.19Å; L73-I84 HydrophobicContact CG-CG1 4.33Å; L73-T94 HydrophobicContact CD2-CG2 4.19Å; L73-I114 CarbonylContact C-O 3.56Å; L73-I114 WeakPolarHBondContact CA-O 3.46Å; L73-L416 HydrophobicContact CB-CD1 4.29Å; L73-L416 HydrophobicContact CD2-CB 3.81Å; L73-L416 HydrophobicContact CD2-CD1 3.8Å; L73-L416 HydrophobicContact CD2-CG 4.44Å; L73-L416 HydrophobicContact CG-CD1 4.43Å
74	V	97.2	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	107.3	175.9	178	0	0	0	0	107.4	I79 L113 I114 M115 P116 A392 V396	V74-I79 HydrophobicContact CB-CG1 4.36Å; V74-I79 HydrophobicContact CG1-CD1 4.3Å; V74-I79 HydrophobicContact CG1-CG1 4.07Å; V74-I79 HydrophobicContact CG2-CD1 4.22Å; V74-I79 HydrophobicContact CG2-CG1 4.08Å; V74-I79 HydrophobicContact CG2-CG2 4.04Å; V74-L113 HydrophobicContact CG2-CB 4.14Å; V74-L113 HydrophobicContact CG2-CD2 3.73Å; V74-L113 HydrophobicContact CG2-CG 4.36Å; V74-I114 PolarHBondContact N-O 3.4Å; V74-M115 HydrophobicContact CB-CG 3.65Å; V74-M115 HydrophobicContact CG1-CG 4.03Å; V74-M115 HydrophobicContact CG2-CG 4.27Å; V74-P116 VanDerWaalsContact O-CD 3.26Å; V74-P116 WeakPolarHBondContact O-CD 3.47Å; V74-A392 HydrophobicContact CG1-CB 3.74Å; V74-A392 HydrophobicContact CG2-CB 4.3Å; V74-V396 HydrophobicContact CG1-CG2 3.79Å
75	N	98	Very high	94.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.166	C	C	.	.			trans	-98.4	172.9	163.8	-76.9	-48.7	0	0	0	109.5	D77 H78 S393 C415 L416	N75-D77 WeakPolarHBondContact CB-OD1 3.34Å; N75-D77 PolarHBondContact O-N 3.27Å; N75-H78 PolarHBondContact N-O 3.15Å; N75-S393 WeakPolarHBondContact O-CA 3.42Å; N75-S393 VanDerWaalsContact O-CB 3.29Å; N75-S393 WeakPolarHBondContact O-CB 3.39Å; N75-S393 PolarHBondContact O-OG 2.77Å; N75-C415 WeakPolarHBondContact OD1-CA 3.45Å; N75-L416 PolarHBondContact OD1-N 3.32Å
76	S	96.5	Very high	95.1	Very high	35 Å²	35	30.6 Å²	30.6	25%	0.245	16%	0.161	C	C	.	.	S	Bend	trans	-67.2	-17.6	176.3	43.2	0	0	0	0	114.1	S397 S401	S76-S397 WeakPolarHBondContact CB-OG 3.27Å; S76-S401 WeakPolarHBondContact CB-OG 3.27Å; S76-S401 VanDerWaalsContact OG-CB 3.29Å; S76-S401 WeakPolarHBondContact OG-CB 3.3Å; S76-S401 PolarHBondContact OG-OG 2.87Å
77	D	95.6	Very high	95.3	Very high	91 Å²	91	31.8 Å²	31.8	49%	0.487	17%	0.167	S	C	.	.	S	Bend	trans	-105.2	-30.2	-176	65	-34	0	0	0	113.6	N75 Y417	N75-D77 WeakPolarHBondContact CB-OD1 3.34Å; N75-D77 PolarHBondContact O-N 3.27Å; D77-Y417 PolarHBondContact OD1-OH 3.43Å; D77-Y417 PolarHBondContact OD2-OH 2.91Å
78	H	94.3	Very high	95.2	Very high	58 Å²	58	35 Å²	35	27%	0.269	19%	0.185	S	C	.	.			trans	-157.4	163.1	179.2	68.7	-77	0	0	0	113.4	N75	N75-H78 PolarHBondContact N-O 3.15Å
79	I	96	Very high	95.1	Very high	76 Å²	76	35.5 Å²	35.5	39%	0.39	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.7	171.3	-56.5	179.9	0	0	0	108.5	Q72 L73 V74 A392 S393	Q72-I79 HydrophobicContact CB-CG2 4.19Å; L73-I79 CarbonylContact O-C 3.52Å; L73-I79 VanDerWaalsContact O-CA 3.29Å; L73-I79 WeakPolarHBondContact O-CA 3.26Å; V74-I79 HydrophobicContact CB-CG1 4.36Å; V74-I79 HydrophobicContact CG1-CD1 4.3Å; V74-I79 HydrophobicContact CG1-CG1 4.07Å; V74-I79 HydrophobicContact CG2-CD1 4.22Å; V74-I79 HydrophobicContact CG2-CG1 4.08Å; V74-I79 HydrophobicContact CG2-CG2 4.04Å; I79-A392 HydrophobicContact CD1-CB 4.15Å; I79-S393 WeakPolarHBondContact CG1-OG 3.2Å
80	Q	95.9	Very high	95.2	Very high	75 Å²	75	37.8 Å²	37.8	35%	0.35	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.1	178.4	62.8	178.2	7.1	0	0	112.7	Q72 L73 A82	Q72-Q80 CarbonylContact C-O 3.59Å; Q72-Q80 WeakPolarHBondContact CA-O 3.34Å; L73-Q80 HydrophobicContact CB-CG 4.2Å; L73-Q80 HydrophobicContact CD1-CG 4.24Å; L73-Q80 PolarHBondContact N-O 2.92Å; L73-Q80 PolarHBondContact O-N 2.66Å; Q80-A82 PolarHBondContact O-N 3.42Å
81	F	96.2	Very high	95.5	Very high	131 Å²	131	36.4 Å²	36.4	58%	0.575	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.7	165.3	-74.7	-80	0	0	0	109.7	Q72	Q72-F81 HydrophobicContact CG-CD1 3.45Å; Q72-F81 VanDerWaalsContact CG-CD1 3.45Å; Q72-F81 HydrophobicContact CG-CD2 4.11Å; Q72-F81 HydrophobicContact CG-CE1 3.33Å; Q72-F81 HydrophobicContact CG-CE2 4.02Å; Q72-F81 HydrophobicContact CG-CG 3.87Å; Q72-F81 HydrophobicContact CG-CZ 3.65Å
82	A	96.2	Very high	95.7	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	20%	0.203	C	C	.	.			trans	-164.8	160.8	171.4	0	0	0	0	0	110.4	L73 Q80	L73-A82 HydrophobicContact CD1-CB 3.17Å; L73-A82 VanDerWaalsContact CD1-O 3.27Å; L73-A82 WeakPolarHBondContact CD1-O 3.3Å; Q80-A82 PolarHBondContact O-N 3.42Å
83	N	96.2	Very high	95.7	Very high	25 Å²	25	39.7 Å²	39.7	13%	0.134	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	161.8	173.6	-53.8	-29	0	0	0	109.5	Y67 I68 T69 G70 T94 G95 T96 I98	Y67-N83 HydrophobicContact CE2-CB 3.63Å; Y67-N83 PolarHBondContact OH-ND2 3.17Å; I68-N83 CarbonylContact O-C 3.57Å; I68-N83 WeakPolarHBondContact O-CA 3.47Å; I68-N83 VanDerWaalsContact O-CB 3.25Å; I68-N83 WeakPolarHBondContact O-CB 3.38Å; T69-N83 VanDerWaalsContact CA-OD1 3.31Å; T69-N83 WeakPolarHBondContact CA-OD1 3.43Å; T69-N83 HydrophobicContact CG2-CB 4.42Å; G70-N83 PolarHBondContact N-OD1 3.29Å; N83-T94 VanDerWaalsContact O-CA 3.26Å; N83-T94 WeakPolarHBondContact O-CA 3.3Å; N83-G95 WeakPolarHBondContact CA-O 3.48Å; N83-G95 WeakPolarHBondContact CB-O 3.28Å; N83-G95 PolarHBondContact N-O 3.38Å; N83-G95 PolarHBondContact O-N 3.12Å; N83-T96 PolarHBondContact ND2-O 3.27Å; N83-T96 VanDerWaalsContact ND2-O 3.16Å; N83-I98 HydrophobicContact CB-CD1 4.22Å; N83-I98 WeakPolarHBondContact O-CD1 3.31Å
84	I	96.6	Very high	95.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127	-180	-50.8	-177.2	0	0	0	108.9	Y67 I68 L73 I86 I91 T94 I114 L424	Y67-I84 CarbonylContact C-O 3.57Å; Y67-I84 WeakPolarHBondContact CA-O 3.43Å; Y67-I84 VanDerWaalsContact CD2-O 3.3Å; Y67-I84 WeakPolarHBondContact CD2-O 2.98Å; I68-I84 HydrophobicContact CB-CB 4.26Å; I68-I84 PolarHBondContact N-O 3.03Å; I68-I84 PolarHBondContact O-N 3.35Å; L73-I84 HydrophobicContact CD2-CD1 3.44Å; L73-I84 VanDerWaalsContact CD2-CD1 3.44Å; L73-I84 HydrophobicContact CD2-CG1 3.68Å; L73-I84 HydrophobicContact CG-CD1 4.19Å; L73-I84 HydrophobicContact CG-CG1 4.33Å; I84-I86 HydrophobicContact CG2-CD1 4.46Å; I84-I86 HydrophobicContact CG2-CG1 3.96Å; I84-I91 HydrophobicContact CG2-CG1 4.17Å; I84-I91 HydrophobicContact CG2-CG2 3.87Å; I84-T94 HydrophobicContact CG1-CG2 4.42Å; I84-T94 HydrophobicContact CG2-CG2 4.48Å; I84-I114 HydrophobicContact CD1-CD1 4.31Å; I84-I114 HydrophobicContact CD1-CG2 3.87Å; I84-L424 HydrophobicContact CD1-CD2 4.01Å
85	L	96.3	Very high	95.5	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.063	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.7	165.3	176.4	64.2	0	0	0	109.4	Y67 E87 V92 S93 I98 V100 T104	Y67-L85 HydrophobicContact CD2-CB 4.42Å; L85-E87 HydrophobicContact CG-CG 4.34Å; L85-V92 PolarHBondContact O-N 3.08Å; L85-S93 PolarHBondContact N-O 3.37Å; L85-S93 PolarHBondContact O-N 3.46Å; L85-I98 HydrophobicContact CB-CD1 4.37Å; L85-I98 HydrophobicContact CB-CG2 3.94Å; L85-I98 HydrophobicContact CD2-CG2 4.04Å; L85-V100 HydrophobicContact CD1-CG1 4.01Å; L85-V100 HydrophobicContact CD2-CG1 4.48Å; L85-T104 HydrophobicContact CD1-CG2 4.42Å
86	I	95.3	Very high	95.2	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.2	175.7	-63.2	161.6	0	0	0	108.2	Q65 L66 I68 I84 K90 I91 A422 L424	Q65-I86 VanDerWaalsContact CA-O 3.28Å; Q65-I86 WeakPolarHBondContact CA-O 3.41Å; L66-I86 HydrophobicContact CB-CB 4.28Å; L66-I86 HydrophobicContact CD2-CD1 4.19Å; L66-I86 PolarHBondContact N-O 3.13Å; L66-I86 PolarHBondContact O-N 3.29Å; I68-I86 HydrophobicContact CD1-CD1 3.86Å; I68-I86 HydrophobicContact CG1-CD1 4.45Å; I84-I86 HydrophobicContact CG2-CD1 4.46Å; I84-I86 HydrophobicContact CG2-CG1 3.96Å; I86-K90 CarbonylContact C-O 3.54Å; I86-K90 VanDerWaalsContact CA-O 3.25Å; I86-K90 WeakPolarHBondContact CA-O 3.34Å; I86-I91 HydrophobicContact CG1-CG1 4.47Å; I86-A422 HydrophobicContact CB-CB 4.33Å; I86-A422 HydrophobicContact CD1-CB 3.82Å; I86-A422 HydrophobicContact CG1-CB 3.81Å; I86-A422 HydrophobicContact CG2-CB 3.56Å; I86-L424 HydrophobicContact CD1-CD2 4.36Å
87	E	93.7	Very high	94.9	Very high	33 Å²	33	52.6 Å²	52.6	15%	0.154	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.4	169.1	-49.1	-167.3	145.4	0	0	109.8	K63 E64 Q65 L85 G89 K90 V92	K63-E87 HydrophobicContact CD-CB 4.39Å; K63-E87 WeakPolarHBondContact CD-OE2 3.3Å; K63-E87 IonicContact NZ-OE2 2.87Å; K63-E87 PolarHBondContact NZ-OE2 3.09Å; E64-E87 CarbonylContact O-C 3.55Å; E64-E87 WeakPolarHBondContact O-CA 3.48Å; Q65-E87 HydrophobicContact CG-CG 4.1Å; Q65-E87 PolarHBondContact NE2-OE1 3.23Å; L85-E87 HydrophobicContact CG-CG 4.34Å; E87-G89 PolarHBondContact O-N 3.21Å; E87-G89 VanDerWaalsContact O-N 3.12Å; E87-K90 PolarHBondContact N-O 2.92Å; E87-K90 PolarHBondContact O-N 3.46Å; E87-V92 HydrophobicContact CB-CG2 3.64Å; E87-V92 HydrophobicContact CG-CB 4.17Å; E87-V92 HydrophobicContact CG-CG2 3.59Å
88	D	91.6	Very high	94.7	Very high	89 Å²	89	49.3 Å²	49.3	48%	0.476	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	42.2	173.8	-54.8	-38.3	0	0	0	112.9	K63 E64 K90	K63-D88 WeakPolarHBondContact CA-OD1 3.37Å; K63-D88 WeakPolarHBondContact CD-OD2 3.4Å; K63-D88 WeakPolarHBondContact CG-OD2 3.36Å; E64-D88 PolarHBondContact N-OD1 3.11Å; E64-D88 PolarHBondContact O-N 3.19Å; D88-K90 VanDerWaalsContact C-N 3.33Å; D88-K90 PolarHBondContact O-N 3.13Å
89	G	92.1	Very high	94.6	Very high	12 Å²	12	55.8 Å²	55.8	12%	0.124	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	6.1	178.8	0	0	0	0	0	116	E87 A422 H446	E87-G89 PolarHBondContact O-N 3.21Å; E87-G89 VanDerWaalsContact O-N 3.12Å; G89-A422 WeakPolarHBondContact O-CB 3.34Å; G89-A422 PolarHBondContact O-N 2.91Å; G89-H446 VanDerWaalsContact CA-O 3.24Å; G89-H446 WeakPolarHBondContact CA-O 3.43Å
90	K	96.3	Very high	94.2	Very high	76 Å²	76	54.8 Å²	54.8	33%	0.33	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.4	-180	-64.7	-67.5	-169.9	165.3	0	111.8	I86 E87 D88 V92 S420 D421	I86-K90 CarbonylContact C-O 3.54Å; I86-K90 VanDerWaalsContact CA-O 3.25Å; I86-K90 WeakPolarHBondContact CA-O 3.34Å; E87-K90 PolarHBondContact N-O 2.92Å; E87-K90 PolarHBondContact O-N 3.46Å; D88-K90 VanDerWaalsContact C-N 3.33Å; D88-K90 PolarHBondContact O-N 3.13Å; K90-V92 PolarHBondContact O-N 3.14Å; K90-S420 WeakPolarHBondContact CA-O 3.27Å; K90-S420 WeakPolarHBondContact CD-O 3.24Å; K90-D421 WeakPolarHBondContact CE-OD1 3.47Å; K90-D421 IonicContact NZ-OD1 2.77Å; K90-D421 PolarHBondContact NZ-OD1 2.91Å
91	I	97.1	Very high	93.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.1	167.8	-61.4	174.8	0	0	0	107.7	I84 I86 T94 L416 P418 G419 S420 A422	I84-I91 HydrophobicContact CG2-CG1 4.17Å; I84-I91 HydrophobicContact CG2-CG2 3.87Å; I86-I91 HydrophobicContact CG1-CG1 4.47Å; I91-T94 HydrophobicContact CG2-CG2 3.79Å; I91-L416 HydrophobicContact CD1-CB 4.23Å; I91-L416 HydrophobicContact CD1-CD2 3.96Å; I91-P418 CarbonylContact O-C 3.49Å; I91-P418 WeakPolarHBondContact O-CA 3.35Å; I91-G419 PolarHBondContact O-N 3.49Å; I91-S420 PolarHBondContact N-O 3.31Å; I91-A422 HydrophobicContact CG1-CB 4.21Å
92	V	96.5	Very high	93.2	Very high	67 Å²	67	56.5 Å²	56.5	41%	0.406	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-36.4	-179.5	174	0	0	0	0	111.5	L85 E87 K90	L85-V92 PolarHBondContact O-N 3.08Å; E87-V92 HydrophobicContact CB-CG2 3.64Å; E87-V92 HydrophobicContact CG-CB 4.17Å; E87-V92 HydrophobicContact CG-CG2 3.59Å; K90-V92 PolarHBondContact O-N 3.14Å
93	S	95.8	Very high	92.5	Very high	44 Å²	44	61.8 Å²	61.8	31%	0.308	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	147.6	-179.5	-172.1	0	0	0	0	111.5	L85	L85-S93 PolarHBondContact N-O 3.37Å; L85-S93 PolarHBondContact O-N 3.46Å
94	T	96.1	Very high	92	Very high	35 Å²	35	61.1 Å²	61.1	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.6	171.9	57.8	0	0	0	0	109	L73 N83 I84 I91	L73-T94 HydrophobicContact CD2-CG2 4.19Å; N83-T94 VanDerWaalsContact O-CA 3.26Å; N83-T94 WeakPolarHBondContact O-CA 3.3Å; I84-T94 HydrophobicContact CG1-CG2 4.42Å; I84-T94 HydrophobicContact CG2-CG2 4.48Å; I91-T94 HydrophobicContact CG2-CG2 3.79Å
95	G	94.1	Very high	91.6	Very high	22 Å²	22	62.3 Å²	62.3	23%	0.227	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	171.3	-178	0	0	0	0	0	113	N83	N83-G95 WeakPolarHBondContact CA-O 3.48Å; N83-G95 WeakPolarHBondContact CB-O 3.28Å; N83-G95 PolarHBondContact N-O 3.38Å; N83-G95 PolarHBondContact O-N 3.12Å
96	T	91.5	Very high	91.3	Very high	96 Å²	96	63.8 Å²	63.8	59%	0.589	36%	0.357	S	S	*	.	S	Bend	trans	-78.1	-31.4	-178.2	53.9	0	0	0	0	113.2	N83	N83-T96 PolarHBondContact ND2-O 3.27Å; N83-T96 VanDerWaalsContact ND2-O 3.16Å
97	N	88.9	Confident	91	Very high	155 Å²	155	63.8 Å²	63.8	83%	0.829	36%	0.357	S	S	*	.	S	Bend	trans	-123.9	89.9	-179.3	-69.5	-12.9	0	0	0	109.3
98	I	92.5	Very high	90.9	Very high	22 Å²	22	65.4 Å²	65.4	11%	0.113	37%	0.367	C	S	.	.			trans	-105.3	126.3	174.9	-56.2	176.6	0	0	0	108.4	Y67 N83 L85 V100	Y67-I98 HydrophobicContact CE2-CB 4.01Å; Y67-I98 HydrophobicContact CE2-CD1 4.2Å; Y67-I98 HydrophobicContact CE2-CG2 4.49Å; N83-I98 HydrophobicContact CB-CD1 4.22Å; N83-I98 WeakPolarHBondContact O-CD1 3.31Å; L85-I98 HydrophobicContact CB-CD1 4.37Å; L85-I98 HydrophobicContact CB-CG2 3.94Å; L85-I98 HydrophobicContact CD2-CG2 4.04Å; I98-V100 HydrophobicContact CG2-CG1 4.1Å; I98-V100 PolarHBondContact O-N 2.85Å
99	E	91	Very high	90.9	Very high	193 Å²	193	61.1 Å²	61.1	90%	0.902	34%	0.344	S	S	*	.			trans	-74.3	123.1	171	-65.4	-178.4	179.5	0	0	109.4
100	V	89.3	Confident	90.8	Very high	55 Å²	55	64.8 Å²	64.8	33%	0.333	36%	0.364	S	S	.	.			trans	-124.9	156.2	-179.1	-63.4	0	0	0	0	110.6	Y67 L85 I98	Y67-V100 HydrophobicContact CD1-CG1 3.98Å; Y67-V100 HydrophobicContact CD1-CG2 4.01Å; Y67-V100 HydrophobicContact CD2-CG1 3.68Å; Y67-V100 HydrophobicContact CE1-CG1 4.16Å; Y67-V100 HydrophobicContact CE1-CG2 4.12Å; Y67-V100 HydrophobicContact CE2-CG1 3.91Å; Y67-V100 HydrophobicContact CG-CG1 3.74Å; L85-V100 HydrophobicContact CD1-CG1 4.01Å; L85-V100 HydrophobicContact CD2-CG1 4.48Å; I98-V100 HydrophobicContact CG2-CG1 4.1Å; I98-V100 PolarHBondContact O-N 2.85Å
101	Q	87.3	Confident	90.5	Very high	116 Å²	116	62.6 Å²	62.6	54%	0.542	36%	0.363	S	S	.	.			trans	-69.5	146.8	177.6	-59	179.2	13.9	0	0	109.6	D103 T104	Q101-D103 PolarHBondContact O-N 2.91Å; Q101-T104 WeakPolarHBondContact CB-OG1 3.35Å; Q101-T104 PolarHBondContact N-OG1 2.86Å; Q101-T104 WeakPolarHBondContact O-CB 3.31Å; Q101-T104 PolarHBondContact O-N 3.25Å; Q101-T104 PolarHBondContact O-OG1 3.28Å; Q101-T104 VanDerWaalsContact O-OG1 3.04Å
102	P	82.3	Confident	90.2	Very high	127 Å²	127	63.7 Å²	63.7	83%	0.825	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.7	-174.7	-28.2	35.3	0	0	0	115.6
103	D	82.8	Confident	90.1	Very high	115 Å²	115	60.9 Å²	60.9	62%	0.615	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	10.8	-178.5	-64.5	-43.5	0	0	0	113.4	Q101 P105	Q101-D103 PolarHBondContact O-N 2.91Å; D103-P105 WeakPolarHBondContact O-CD 3.35Å
104	T	85.8	Confident	90.2	Very high	12 Å²	12	58.8 Å²	58.8	7%	0.074	34%	0.336	C	S	.	.			trans	-65	122.2	176.8	-57.9	0	0	0	0	109.7	Q65 L85 Q101 T106	Q65-T104 HydrophobicContact CB-CG2 3.76Å; Q65-T104 PolarHBondContact OE1-OG1 3.45Å; L85-T104 HydrophobicContact CD1-CG2 4.42Å; Q101-T104 WeakPolarHBondContact CB-OG1 3.35Å; Q101-T104 PolarHBondContact N-OG1 2.86Å; Q101-T104 WeakPolarHBondContact O-CB 3.31Å; Q101-T104 PolarHBondContact O-N 3.25Å; Q101-T104 PolarHBondContact O-OG1 3.28Å; Q101-T104 VanDerWaalsContact O-OG1 3.04Å; T104-T106 PolarHBondContact O-N 3.09Å; T104-T106 PolarHBondContact O-OG1 3.43Å
105	P	87.5	Confident	90.2	Very high	24 Å²	24	57.1 Å²	57.1	16%	0.156	33%	0.326	C	S	.	.			trans	-54.9	130.4	173.8	-23.2	32.1	0	0	0	110.8	Q65 L66 Y67 D103 L472	Q65-P105 WeakPolarHBondContact O-CD 3.49Å; L66-P105 HydrophobicContact CD1-CB 4.4Å; Y67-P105 PolarHBondContact N-O 3.48Å; D103-P105 WeakPolarHBondContact O-CD 3.35Å; P105-L472 HydrophobicContact CB-CG 4.09Å
106	T	89.3	Confident	90.4	Very high	44 Å²	44	56.1 Å²	56.1	27%	0.27	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.6	-175.9	-57.3	0	0	0	0	110.7	Y67 T69 T104 C469	Y67-T106 HydrophobicContact CD1-CG2 3.89Å; Y67-T106 CarbonylContact O-C 3.48Å; Y67-T106 VanDerWaalsContact O-CA 3.24Å; Y67-T106 WeakPolarHBondContact O-CA 3.26Å; T69-T106 HydrophobicContact CG2-CG2 3.99Å; T104-T106 PolarHBondContact O-N 3.09Å; T104-T106 PolarHBondContact O-OG1 3.43Å; T106-C469 WeakPolarHBondContact O-CA 3.41Å
107	L	89.7	Confident	90.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.8	172.7	167.6	65.6	0	0	0	109.1	L66 Y67 I68 T69 A109 I442 I444 P468 C469	L66-L107 HydrophobicContact CD1-CB 4.34Å; Y67-L107 PolarHBondContact O-N 3.02Å; I68-L107 CarbonylContact C-O 3.59Å; I68-L107 VanDerWaalsContact CA-O 3.3Å; I68-L107 WeakPolarHBondContact CA-O 3.49Å; I68-L107 HydrophobicContact CD1-CD2 4.33Å; I68-L107 HydrophobicContact CG1-CB 4.4Å; I68-L107 HydrophobicContact CG1-CD2 4.21Å; I68-L107 HydrophobicContact CG2-CD2 4.2Å; I68-L107 HydrophobicContact CG2-CG 4.32Å; T69-L107 PolarHBondContact N-O 3.43Å; L107-A109 PolarHBondContact O-N 3.21Å; L107-I442 HydrophobicContact CD1-CD1 3.53Å; L107-I442 HydrophobicContact CD2-CD1 3.89Å; L107-I442 HydrophobicContact CD2-CG2 4.36Å; L107-I442 HydrophobicContact CG-CD1 4.3Å; L107-I444 HydrophobicContact CD2-CD1 4.1Å; L107-P468 HydrophobicContact CD1-CB 3.89Å; L107-P468 HydrophobicContact CD1-CG 4Å; L107-C469 WeakPolarHBondContact CD1-SG 3.27Å
108	D	91	Very high	91.1	Very high	67 Å²	67	44.3 Å²	44.3	36%	0.358	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	107.3	172.8	-173.7	14	0	0	0	110.8	T110 P468	D108-T110 WeakPolarHBondContact OD1-CB 3.49Å; D108-T110 PolarHBondContact OD1-N 3.46Å; D108-T110 PolarHBondContact OD1-OG1 3.02Å; D108-P468 HydrophobicContact CB-CB 4.12Å; D108-P468 WeakPolarHBondContact CB-O 3.5Å; D108-P468 PolarHBondContact N-O 3.17Å; D108-P468 WeakPolarHBondContact O-CB 3.37Å
109	A	91.8	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.			trans	-98.8	20.5	174.8	0	0	0	0	0	111.9	I68 T69 G71 L107 G111 M112 I114	I68-A109 HydrophobicContact CG2-CB 3.69Å; T69-A109 CarbonylContact O-C 3.59Å; T69-A109 WeakPolarHBondContact O-CA 3.46Å; T69-A109 WeakPolarHBondContact O-CB 3.19Å; T69-A109 PolarHBondContact O-N 3.01Å; G71-A109 VanDerWaalsContact CA-O 3.23Å; G71-A109 WeakPolarHBondContact CA-O 3.47Å; G71-A109 PolarHBondContact N-O 3.36Å; L107-A109 PolarHBondContact O-N 3.21Å; A109-G111 PolarHBondContact O-N 3.25Å; A109-M112 HydrophobicContact CB-CB 4.32Å; A109-M112 VanDerWaalsContact O-CB 3.3Å; A109-M112 WeakPolarHBondContact O-CB 3.5Å; A109-M112 PolarHBondContact O-N 3.33Å; A109-I114 HydrophobicContact CB-CD1 3.87Å; A109-I114 HydrophobicContact CB-CG1 4.15Å
110	T	91.1	Very high	91.7	Very high	88 Å²	88	34.2 Å²	34.2	54%	0.54	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	131.4	172.2	-62.2	0	0	0	0	110.2	D108 M112	D108-T110 WeakPolarHBondContact OD1-CB 3.49Å; D108-T110 PolarHBondContact OD1-N 3.46Å; D108-T110 PolarHBondContact OD1-OG1 3.02Å; T110-M112 VanDerWaalsContact C-N 3.3Å
111	G	88.5	Confident	92	Very high	30 Å²	30	32 Å²	32	31%	0.309	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	14.3	-176.7	0	0	0	0	0	114.2	A109 Y429	A109-G111 PolarHBondContact O-N 3.25Å; G111-Y429 VanDerWaalsContact CA-CE2 3.48Å; G111-Y429 WeakPolarHBondContact O-CD2 3.31Å; G111-Y429 PolarHBondContact O-N 3.45Å
112	M	91.9	Very high	92.2	Very high	25 Å²	25	26.5 Å²	26.5	12%	0.123	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.2	177.7	-50.6	-172.5	179.1	0	0	112.6	G71 Q72 A109 T110 C426 W427 I442	G71-M112 WeakPolarHBondContact CA-O 3.49Å; Q72-M112 PolarHBondContact N-O 2.98Å; A109-M112 HydrophobicContact CB-CB 4.32Å; A109-M112 VanDerWaalsContact O-CB 3.3Å; A109-M112 WeakPolarHBondContact O-CB 3.5Å; A109-M112 PolarHBondContact O-N 3.33Å; T110-M112 VanDerWaalsContact C-N 3.3Å; M112-C426 HydrophobicContact CB-CB 4.29Å; M112-C426 HydrophobicContact SD-CB 3.8Å; M112-W427 CarbonylContact C-O 3.56Å; M112-W427 VanDerWaalsContact CA-O 3.26Å; M112-W427 WeakPolarHBondContact CA-O 3.45Å; M112-I442 HydrophobicContact SD-CD1 4.43Å
113	L	94.3	Very high	92.8	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.6	162	-62.5	177	0	0	0	108.8	Q72 V74 M115 W381 A392 C426 W427 Y429 I432	Q72-L113 HydrophobicContact CB-CD2 3.88Å; Q72-L113 CarbonylContact O-C 3.59Å; Q72-L113 WeakPolarHBondContact O-CA 3.45Å; V74-L113 HydrophobicContact CG2-CB 4.14Å; V74-L113 HydrophobicContact CG2-CD2 3.73Å; V74-L113 HydrophobicContact CG2-CG 4.36Å; L113-M115 HydrophobicContact CB-CE 4.25Å; L113-W381 HydrophobicContact CD1-CH2 3.71Å; L113-W381 HydrophobicContact CD1-CZ2 4.35Å; L113-A392 HydrophobicContact CD1-CB 4.23Å; L113-C426 CarbonylContact O-C 3.53Å; L113-C426 VanDerWaalsContact O-CA 3.29Å; L113-C426 WeakPolarHBondContact O-CA 3.49Å; L113-W427 PolarHBondContact N-O 3.19Å; L113-W427 PolarHBondContact O-N 3.46Å; L113-Y429 HydrophobicContact CD1-CE1 4.45Å; L113-Y429 HydrophobicContact CD2-CD1 4.42Å; L113-Y429 HydrophobicContact CD2-CE1 3.45Å; L113-Y429 VanDerWaalsContact CD2-CE1 3.45Å; L113-Y429 HydrophobicContact CG-CD1 4.28Å; L113-Y429 HydrophobicContact CG-CE1 3.74Å; L113-I432 HydrophobicContact CD1-CD1 3.79Å
114	I	96.7	Very high	93.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.3	175	-52	171.2	0	0	0	107.4	I68 Q72 L73 V74 I84 A109 L416 L424 I425	I68-I114 HydrophobicContact CG2-CD1 3.7Å; Q72-I114 PolarHBondContact O-N 3.33Å; L73-I114 CarbonylContact C-O 3.56Å; L73-I114 WeakPolarHBondContact CA-O 3.46Å; V74-I114 PolarHBondContact N-O 3.4Å; I84-I114 HydrophobicContact CD1-CD1 4.31Å; I84-I114 HydrophobicContact CD1-CG2 3.87Å; A109-I114 HydrophobicContact CB-CD1 3.87Å; A109-I114 HydrophobicContact CB-CG1 4.15Å; I114-L416 HydrophobicContact CB-CD1 4.48Å; I114-L416 HydrophobicContact CG2-CD1 4.01Å; I114-L416 VanDerWaalsContact O-CD1 3.26Å; I114-L416 WeakPolarHBondContact O-CD1 3.3Å; I114-L424 HydrophobicContact CG2-CB 4.44Å; I114-L424 HydrophobicContact CG2-CD1 3.92Å; I114-L424 HydrophobicContact CG2-CD2 4.06Å; I114-L424 HydrophobicContact CG2-CG 4.38Å; I114-I425 WeakPolarHBondContact CA-O 3.41Å
115	M	97.3	Very high	93.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.2	-174.3	-72.2	172.3	-72.4	0	0	110.3	V74 L113 A117 W381 F395 V396 L424 I425 W427	V74-M115 HydrophobicContact CB-CG 3.65Å; V74-M115 HydrophobicContact CG1-CG 4.03Å; V74-M115 HydrophobicContact CG2-CG 4.27Å; L113-M115 HydrophobicContact CB-CE 4.25Å; M115-A117 PolarHBondContact O-N 3.01Å; M115-W381 HydrophobicContact CE-CH2 4.16Å; M115-W381 HydrophobicContact CE-CZ3 3.96Å; M115-W381 HydrophobicContact SD-CH2 4.46Å; M115-W381 HydrophobicContact SD-CZ3 3.95Å; M115-F395 HydrophobicContact CE-CE1 4.46Å; M115-F395 HydrophobicContact SD-CD1 3.8Å; M115-F395 HydrophobicContact SD-CE1 3.97Å; M115-V396 HydrophobicContact CB-CG2 3.87Å; M115-V396 HydrophobicContact CG-CG2 3.58Å; M115-V396 HydrophobicContact SD-CG2 3.87Å; M115-L424 CarbonylContact O-C 3.53Å; M115-L424 VanDerWaalsContact O-CA 3.24Å; M115-L424 WeakPolarHBondContact O-CA 3.38Å; M115-L424 VanDerWaalsContact O-CB 3.31Å; M115-L424 WeakPolarHBondContact O-CB 3.26Å; M115-I425 HydrophobicContact CB-CD1 4.32Å; M115-I425 HydrophobicContact CB-CG1 3.84Å; M115-I425 HydrophobicContact CE-CD1 4.23Å; M115-I425 HydrophobicContact CE-CG1 4.37Å; M115-I425 PolarHBondContact N-O 2.87Å; M115-I425 PolarHBondContact O-N 2.89Å; M115-W427 HydrophobicContact CE-CB 3.64Å; M115-W427 HydrophobicContact CE-CE3 4.27Å; M115-W427 HydrophobicContact CE-CG 4.3Å
116	P	98.2	Very high	93.3	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.013	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.1	164.9	-17.9	27.8	0	0	0	110.2	V74 V396 L416	V74-P116 VanDerWaalsContact O-CD 3.26Å; V74-P116 WeakPolarHBondContact O-CD 3.47Å; P116-V396 HydrophobicContact CG-CG1 3.92Å; P116-L416 HydrophobicContact CG-CD2 4.22Å; P116-L416 HydrophobicContact CG-CG 3.95Å
117	A	97.8	Very high	92.5	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.025	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-64.7	155.6	178	0	0	0	0	0	111.6	M115 T150 S400 D423 I425	M115-A117 PolarHBondContact O-N 3.01Å; A117-T150 HydrophobicContact CB-CG2 3.4Å; A117-T150 VanDerWaalsContact CB-CG2 3.4Å; A117-T150 WeakPolarHBondContact CB-OG1 3.2Å; A117-S400 WeakPolarHBondContact O-CB 3.35Å; A117-D423 HydrophobicContact CB-CB 4.32Å; A117-D423 PolarHBondContact N-O 2.86Å; A117-I425 HydrophobicContact CB-CG2 3.99Å
118	G	97.7	Very high	92.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.7	-175.2	0	0	0	0	0	112.5	G148 T149 T150 T151 R376	G118-G148 PolarHBondContact N-O 3.42Å; G118-T149 CarbonylContact O-C 3.55Å; G118-T149 VanDerWaalsContact O-CA 3.32Å; G118-T149 WeakPolarHBondContact O-CA 3.42Å; G118-T149 WeakPolarHBondContact O-CG2 3.33Å; G118-T150 PolarHBondContact O-N 3.01Å; G118-T151 PolarHBondContact O-N 3.35Å; G118-R376 VanDerWaalsContact C-NH2 3.31Å; G118-R376 VanDerWaalsContact CA-NH2 3.31Å
119	I	98.2	Very high	91.7	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.015	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.3	168.8	-56.1	178.2	0	0	0	107.8	T151 R376 T399 A403 L407 K413	I119-T151 CarbonylContact C-O 3.58Å; I119-T151 WeakPolarHBondContact CA-O 3.46Å; I119-T151 HydrophobicContact CG2-CG2 4.21Å; I119-R376 PolarHBondContact O-NH1 3.26Å; I119-R376 VanDerWaalsContact O-NH1 3.08Å; I119-R376 PolarHBondContact O-NH2 3.12Å; I119-T399 PolarHBondContact N-O 3.17Å; I119-T399 VanDerWaalsContact O-O 3.11Å; I119-A403 HydrophobicContact CB-CB 3.84Å; I119-A403 HydrophobicContact CG2-CB 3.81Å; I119-L407 HydrophobicContact CG2-CD1 3.77Å; I119-K413 HydrophobicContact CD1-CB 3.99Å
120	D	96.9	Very high	91.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.4	178.4	-162.6	-14.6	0	0	0	111	S122 T149 T151 I152 V153 S355 S356 R376	D120-S122 PolarHBondContact OD1-N 3.44Å; D120-T149 HydrophobicContact CB-CG2 3.92Å; D120-T151 PolarHBondContact N-O 2.9Å; D120-I152 HydrophobicContact CB-CG2 4.21Å; D120-I152 CarbonylContact O-C 3.57Å; D120-V153 PolarHBondContact O-N 3.44Å; D120-S355 VanDerWaalsContact OD1-CA 3.23Å; D120-S355 WeakPolarHBondContact OD1-CA 3.47Å; D120-S355 VanDerWaalsContact OD1-CB 3.22Å; D120-S355 WeakPolarHBondContact OD1-CB 3.05Å; D120-S356 PolarHBondContact OD1-N 3.33Å; D120-S356 WeakPolarHBondContact OD2-CB 3.37Å; D120-S356 PolarHBondContact OD2-N 2.7Å; D120-S356 PolarHBondContact OD2-OG 2.95Å; D120-R376 WeakPolarHBondContact OD2-CD 3.42Å; D120-R376 IonicContact OD2-NE 2.82Å
121	M	95.5	Very high	91	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.034	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-12.6	-174.6	-77	-71.7	-73.9	0	0	114.2	V153 R187 L353 A403 L407	M121-V153 HydrophobicContact SD-CG2 4.2Å; M121-R187 PolarHBondContact O-NH1 3.02Å; M121-R187 PolarHBondContact O-NH2 3.14Å; M121-L353 HydrophobicContact CE-CD1 4.18Å; M121-L353 HydrophobicContact CG-CD1 4.12Å; M121-L353 HydrophobicContact CG-CD2 4.36Å; M121-A403 HydrophobicContact CG-CB 3.55Å; M121-A403 HydrophobicContact SD-CB 3.86Å; M121-L407 HydrophobicContact CE-CD2 4.11Å; M121-L407 HydrophobicContact CE-CG 4.14Å; M121-L407 HydrophobicContact SD-CD1 3.45Å; M121-L407 WeakPolarHBondContact SD-CD1 3.49Å; M121-L407 HydrophobicContact SD-CD2 3.77Å; M121-L407 HydrophobicContact SD-CG 3.45Å; M121-L407 WeakPolarHBondContact SD-CG 3.48Å
122	S	93	Very high	90.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	105.5	-176.1	-164.6	0	0	0	0	111.8	D120 D357	D120-S122 PolarHBondContact OD1-N 3.44Å; S122-D357 WeakPolarHBondContact O-CA 3.44Å; S122-D357 PolarHBondContact O-N 3.44Å; S122-D357 PolarHBondContact OG-OD1 2.65Å
123	T	93.6	Very high	90.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.9	165.5	63.4	0	0	0	0	110.7	V153 D154 T155 I373	T123-V153 PolarHBondContact N-O 3.48Å; T123-V153 VanDerWaalsContact N-O 3.09Å; T123-V153 PolarHBondContact OG1-O 3.31Å; T123-V153 VanDerWaalsContact OG1-O 3.12Å; T123-D154 WeakPolarHBondContact OG1-CA 3.35Å; T123-T155 PolarHBondContact O-N 3.26Å; T123-I373 HydrophobicContact CG2-CD1 3.94Å; T123-I373 HydrophobicContact CG2-CG1 4.48Å
124	Y	91.1	Very high	90.5	Very high	19 Å²	19	32 Å²	32	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	75.9	174.6	-54.6	-90.6	0	0	0	108.3	Q127 T155 V157 L215 K253 D357 Y358	Y124-Q127 PolarHBondContact O-NE2 3.12Å; Y124-T155 HydrophobicContact CD1-CG2 4.31Å; Y124-T155 HydrophobicContact CE1-CG2 3.88Å; Y124-V157 HydrophobicContact CD1-CG2 4.17Å; Y124-V157 HydrophobicContact CE1-CG2 4.32Å; Y124-L215 HydrophobicContact CE1-CD2 3.86Å; Y124-L215 WeakPolarHBondContact OH-CD2 3.21Å; Y124-K253 WeakPolarHBondContact OH-CD 3.14Å; Y124-K253 PolarHBondContact OH-NZ 2.79Å; Y124-D357 WeakPolarHBondContact CE2-OD1 3.26Å; Y124-Y358 PolarHBondContact N-O 3.14Å
125	L	90.2	Very high	90.2	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.042	21%	0.206	C	C	.	.			trans	-79.1	-27.2	-174.2	-58.5	-167.7	0	0	0	112.2	Y137 Y140 I152 D154 Y358 I373	L125-Y137 HydrophobicContact CB-CD2 3.73Å; L125-Y137 HydrophobicContact CB-CE2 3.54Å; L125-Y137 HydrophobicContact CD1-CD2 4.2Å; L125-Y137 HydrophobicContact CD1-CE1 4.48Å; L125-Y137 HydrophobicContact CD1-CE2 3.83Å; L125-Y137 HydrophobicContact CG-CE2 4.27Å; L125-Y140 HydrophobicContact CB-CD2 4.11Å; L125-Y140 HydrophobicContact CD1-CD2 4.48Å; L125-Y140 HydrophobicContact CD2-CD2 3.97Å; L125-Y140 HydrophobicContact CD2-CG 4.07Å; L125-Y140 HydrophobicContact CG-CD2 4.41Å; L125-I152 HydrophobicContact CD1-CD1 3.54Å; L125-D154 WeakPolarHBondContact CB-OD1 3.13Å; L125-D154 WeakPolarHBondContact CG-OD1 3.17Å; L125-D154 PolarHBondContact N-OD1 3.15Å; L125-Y358 HydrophobicContact CD2-CD1 3.53Å; L125-Y358 HydrophobicContact CD2-CE1 3.84Å; L125-I373 HydrophobicContact CD2-CD1 4.38Å
126	I	85.1	Confident	89.9	Confident	17 Å²	17	40.4 Å²	40.4	9%	0.087	21%	0.213	C	C	.	.			trans	-102.1	117.2	-178.2	-51	177.4	0	0	0	109.1	I132 Y137 Y171 F175	I126-I132 HydrophobicContact CD1-CG2 4.47Å; I126-I132 HydrophobicContact CG2-CG1 4.16Å; I126-Y137 HydrophobicContact CD1-CD2 4.37Å; I126-Y137 HydrophobicContact CD1-CE2 3.88Å; I126-Y137 HydrophobicContact CG1-CD2 3.88Å; I126-Y137 HydrophobicContact CG1-CE2 3.64Å; I126-Y171 HydrophobicContact CB-CE1 4.36Å; I126-Y171 HydrophobicContact CD1-CD1 3.44Å; I126-Y171 VanDerWaalsContact CD1-CD1 3.44Å; I126-Y171 HydrophobicContact CD1-CE1 3.17Å; I126-Y171 HydrophobicContact CG1-CE1 4.27Å; I126-Y171 HydrophobicContact CG2-CE1 3.8Å; I126-F175 HydrophobicContact CD1-CE2 4Å; I126-F175 HydrophobicContact CD1-CZ 3.67Å
127	Q	74	Confident	89.6	Confident	81 Å²	81	40.4 Å²	40.4	38%	0.379	21%	0.212	S	C	.	.			trans	-103.5	-46.7	-179.4	-59.7	-62.3	-26.6	0	0	111.5	Y124 D360 V361	Y124-Q127 PolarHBondContact O-NE2 3.12Å; Q127-D360 HydrophobicContact CG-CB 4.02Å; Q127-V361 HydrophobicContact CB-CG2 4.1Å; Q127-V361 HydrophobicContact CG-CG2 3.73Å
128	D	82.1	Confident	89.4	Confident	79 Å²	79	41.9 Å²	41.9	42%	0.422	22%	0.221	S	C	.	.			trans	-97.4	110.4	173.3	-172.5	-2.7	0	0	0	110.6	H130 S131	D128-H130 PolarHBondContact O-N 2.75Å; D128-H130 WeakPolarHBondContact OD1-CA 3.29Å; D128-H130 WeakPolarHBondContact OD1-CB 3.31Å; D128-H130 IonicContact OD1-CD2 3.77Å; D128-H130 IonicContact OD1-CG 3.29Å; D128-H130 PolarHBondContact OD1-N 2.78Å; D128-S131 CarbonylContact O-C 3.51Å; D128-S131 PolarHBondContact OD1-N 3.21Å
129	I	80.6	Confident	89.1	Confident	27 Å²	27	44.1 Å²	44.1	14%	0.138	24%	0.237	C	C	.	.	S	Bend	trans	-71.6	-22.1	178.9	-52.5	171.4	0	0	0	111	V157 P159 L167 K170 Y171	I129-V157 WeakPolarHBondContact CD1-O 3.42Å; I129-P159 HydrophobicContact CD1-CG 3.57Å; I129-L167 HydrophobicContact CG2-CD2 3.37Å; I129-K170 PolarHBondContact O-NZ 3.47Å; I129-Y171 WeakPolarHBondContact CB-OH 3.49Å; I129-Y171 WeakPolarHBondContact CG1-OH 3.47Å; I129-Y171 HydrophobicContact CG2-CE2 4.16Å; I129-Y171 WeakPolarHBondContact CG2-OH 3.35Å
130	H	82.5	Confident	88.8	Confident	158 Å²	158	44.7 Å²	44.7	73%	0.731	24%	0.239	S	C	*	.	S	Bend	trans	-81.2	-41.6	179	-61.4	-67.7	0	0	0	111.9	D128 K170	D128-H130 PolarHBondContact O-N 2.75Å; D128-H130 WeakPolarHBondContact OD1-CA 3.29Å; D128-H130 WeakPolarHBondContact OD1-CB 3.31Å; D128-H130 IonicContact OD1-CD2 3.77Å; D128-H130 IonicContact OD1-CG 3.29Å; D128-H130 PolarHBondContact OD1-N 2.78Å; H130-K170 PolarHBondContact O-NZ 3.5Å; H130-K170 VanDerWaalsContact O-NZ 3.1Å
131	S	85.1	Confident	88.7	Confident	85 Å²	85	44.7 Å²	44.7	59%	0.594	24%	0.239	S	C	*	.	S	Bend	trans	-124.7	92	-179.1	-175.5	0	0	0	0	111.8	D128 D133	D128-S131 CarbonylContact O-C 3.51Å; D128-S131 PolarHBondContact OD1-N 3.21Å; S131-D133 PolarHBondContact O-N 3.08Å
132	I	85.9	Confident	88.6	Confident	27 Å²	27	47.9 Å²	47.9	14%	0.138	25%	0.252	C	S	.	.			trans	-79.8	115.4	179.6	-56.9	161.6	0	0	0	109.2	I126 T134 Y171 T174 F175	I126-I132 HydrophobicContact CD1-CG2 4.47Å; I126-I132 HydrophobicContact CG2-CG1 4.16Å; I132-T134 HydrophobicContact CG2-CG2 4.47Å; I132-T134 PolarHBondContact O-N 3.41Å; I132-Y171 HydrophobicContact CD1-CD1 3.43Å; I132-Y171 VanDerWaalsContact CD1-CD1 3.43Å; I132-Y171 HydrophobicContact CD1-CE1 3.26Å; I132-Y171 HydrophobicContact CD1-CG 4.48Å; I132-Y171 HydrophobicContact CG1-CD1 4.39Å; I132-Y171 HydrophobicContact CG1-CE1 3.8Å; I132-T174 HydrophobicContact CB-CG2 4.31Å; I132-T174 HydrophobicContact CD1-CG2 3.98Å; I132-T174 HydrophobicContact CG2-CG2 4.31Å; I132-F175 HydrophobicContact CG2-CE1 4.21Å; I132-F175 HydrophobicContact CG2-CZ 4.36Å
133	D	89.3	Confident	88.6	Confident	101 Å²	101	49.1 Å²	49.1	54%	0.54	26%	0.258	S	S	.	.			trans	-78	100.4	170.7	-173.2	-19.9	0	0	0	110.2	S131 E135 A136 Y137	S131-D133 PolarHBondContact O-N 3.08Å; D133-E135 PolarHBondContact OD1-N 3.22Å; D133-A136 HydrophobicContact CB-CB 3.98Å; D133-A136 VanDerWaalsContact CG-CB 3.44Å; D133-A136 PolarHBondContact OD1-N 2.99Å; D133-Y137 WeakPolarHBondContact O-CB 3.48Å; D133-Y137 PolarHBondContact O-N 3.47Å; D133-Y137 VanDerWaalsContact O-N 3.12Å
134	T	90.7	Very high	88.7	Confident	55 Å²	55	49.1 Å²	49.1	34%	0.337	26%	0.258	S	S	.	.	H	α-helix	trans	-73	-27.4	-178.8	55	0	0	0	0	112.9	I132 V138 T174 V178	I132-T134 HydrophobicContact CG2-CG2 4.47Å; I132-T134 PolarHBondContact O-N 3.41Å; T134-V138 VanDerWaalsContact O-CG2 3.29Å; T134-V138 WeakPolarHBondContact O-CG2 3.42Å; T134-V138 PolarHBondContact O-N 3.33Å; T134-T174 HydrophobicContact CG2-CG2 3.9Å; T134-V178 HydrophobicContact CG2-CG2 3.8Å
135	E	90.4	Very high	88.8	Confident	158 Å²	158	48.2 Å²	48.2	74%	0.738	25%	0.254	S	S	*	.	H	α-helix	trans	-72.1	-47	179.1	-175.1	174.8	-179.3	0	0	110.3	D133 Y137 V138 S139	D133-E135 PolarHBondContact OD1-N 3.22Å; E135-Y137 VanDerWaalsContact C-N 3.3Å; E135-Y137 PolarHBondContact O-N 3.41Å; E135-V138 PolarHBondContact O-N 3.24Å; E135-S139 PolarHBondContact O-N 3.21Å
136	A	89.9	Confident	89	Confident	18 Å²	18	48.2 Å²	48.2	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-44.1	172.3	0	0	0	0	0	111	D133 V138 S139 Y140	D133-A136 HydrophobicContact CB-CB 3.98Å; D133-A136 VanDerWaalsContact CG-CB 3.44Å; D133-A136 PolarHBondContact OD1-N 2.99Å; A136-V138 PolarHBondContact O-N 3.09Å; A136-S139 CarbonylContact O-C 3.56Å; A136-S139 WeakPolarHBondContact O-CA 3.36Å; A136-S139 VanDerWaalsContact O-CB 3.24Å; A136-S139 WeakPolarHBondContact O-CB 3.35Å; A136-S139 PolarHBondContact O-N 3.12Å; A136-Y140 HydrophobicContact CB-CE2 3.91Å; A136-Y140 WeakPolarHBondContact O-CD2 3.48Å; A136-Y140 VanDerWaalsContact O-CG 3.25Å; A136-Y140 PolarHBondContact O-N 3.25Å
137	Y	91.9	Very high	89.3	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-57.4	-46.9	177.1	-162.7	-86.8	0	0	0	112.7	L125 I126 D133 E135 S139 Y140 T141 D154 F175 F180 I184	L125-Y137 HydrophobicContact CB-CD2 3.73Å; L125-Y137 HydrophobicContact CB-CE2 3.54Å; L125-Y137 HydrophobicContact CD1-CD2 4.2Å; L125-Y137 HydrophobicContact CD1-CE1 4.48Å; L125-Y137 HydrophobicContact CD1-CE2 3.83Å; L125-Y137 HydrophobicContact CG-CE2 4.27Å; I126-Y137 HydrophobicContact CD1-CD2 4.37Å; I126-Y137 HydrophobicContact CD1-CE2 3.88Å; I126-Y137 HydrophobicContact CG1-CD2 3.88Å; I126-Y137 HydrophobicContact CG1-CE2 3.64Å; D133-Y137 WeakPolarHBondContact O-CB 3.48Å; D133-Y137 PolarHBondContact O-N 3.47Å; D133-Y137 VanDerWaalsContact O-N 3.12Å; E135-Y137 VanDerWaalsContact C-N 3.3Å; E135-Y137 PolarHBondContact O-N 3.41Å; Y137-S139 VanDerWaalsContact C-N 3.3Å; Y137-S139 PolarHBondContact O-N 2.71Å; Y137-Y140 PolarHBondContact O-N 3.16Å; Y137-T141 HydrophobicContact CD1-CG2 4.22Å; Y137-T141 HydrophobicContact CE1-CG2 4.14Å; Y137-T141 WeakPolarHBondContact O-CG2 3.3Å; Y137-T141 PolarHBondContact O-N 3.08Å; Y137-T141 VanDerWaalsContact O-N 3.1Å; Y137-D154 VanDerWaalsContact CE2-OD2 3.27Å; Y137-D154 WeakPolarHBondContact CE2-OD2 3.33Å; Y137-D154 PolarHBondContact OH-OD2 3.06Å; Y137-F175 HydrophobicContact CD1-CE1 4.1Å; Y137-F175 HydrophobicContact CD1-CZ 4.17Å; Y137-F175 HydrophobicContact CD2-CE1 4.37Å; Y137-F175 AromaticContact CD2-CZ 3.95Å; Y137-F175 HydrophobicContact CD2-CZ 3.95Å; Y137-F175 HydrophobicContact CE1-CE1 4.13Å; Y137-F175 HydrophobicContact CE1-CE2 4.37Å; Y137-F175 AromaticContact CE1-CZ 3.86Å; Y137-F175 HydrophobicContact CE1-CZ 3.86Å; Y137-F175 HydrophobicContact CE2-CE1 4.44Å; Y137-F175 HydrophobicContact CE2-CE2 4.32Å; Y137-F175 AromaticContact CE2-CZ 3.65Å; Y137-F175 HydrophobicContact CE2-CZ 3.65Å; Y137-F175 HydrophobicContact CG-CE1 4.2Å; Y137-F175 HydrophobicContact CG-CZ 4.2Å; Y137-F175 AromaticContact CZ-CE2 3.99Å; Y137-F175 AromaticContact CZ-CZ 3.61Å; Y137-F180 AromaticContact CD1-CD1 3.8Å; Y137-F180 HydrophobicContact CD1-CD1 3.8Å; Y137-F180 AromaticContact CD1-CE1 3.49Å; Y137-F180 HydrophobicContact CD1-CE1 3.49Å; Y137-F180 VanDerWaalsContact CD1-CE1 3.49Å; Y137-F180 AromaticContact CE1-CD1 3.72Å; Y137-F180 HydrophobicContact CE1-CD1 3.72Å; Y137-F180 AromaticContact CE1-CE1 3.4Å; Y137-F180 HydrophobicContact CE1-CE1 3.4Å; Y137-F180 HydrophobicContact CE1-CZ 4.22Å; Y137-I184 HydrophobicContact CD1-CD1 4.48Å; Y137-I184 HydrophobicContact CE1-CD1 3.39Å
138	V	92.7	Very high	90.2	Very high	34 Å²	34	43.5 Å²	43.5	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-39.7	175.2	171.9	0	0	0	0	110.8	T134 E135 A136 Y140 T141 K142 V178	T134-V138 VanDerWaalsContact O-CG2 3.29Å; T134-V138 WeakPolarHBondContact O-CG2 3.42Å; T134-V138 PolarHBondContact O-N 3.33Å; E135-V138 PolarHBondContact O-N 3.24Å; A136-V138 PolarHBondContact O-N 3.09Å; V138-Y140 PolarHBondContact O-N 2.85Å; V138-T141 PolarHBondContact O-N 3.44Å; V138-T141 PolarHBondContact O-OG1 3.26Å; V138-K142 WeakPolarHBondContact O-CB 3.45Å; V138-K142 PolarHBondContact O-N 2.94Å; V138-V178 HydrophobicContact CG2-CG1 3.52Å
139	S	91.9	Very high	90.9	Very high	47 Å²	47	39.8 Å²	39.8	33%	0.329	21%	0.212	S	C	.	.	H	α-helix	trans	-59.9	-43.5	174.8	-165.1	0	0	0	0	112.3	E135 A136 Y137 T141 K142 E143	E135-S139 PolarHBondContact O-N 3.21Å; A136-S139 CarbonylContact O-C 3.56Å; A136-S139 WeakPolarHBondContact O-CA 3.36Å; A136-S139 VanDerWaalsContact O-CB 3.24Å; A136-S139 WeakPolarHBondContact O-CB 3.35Å; A136-S139 PolarHBondContact O-N 3.12Å; Y137-S139 VanDerWaalsContact C-N 3.3Å; Y137-S139 PolarHBondContact O-N 2.71Å; S139-T141 PolarHBondContact O-N 3.42Å; S139-K142 VanDerWaalsContact O-CB 3.29Å; S139-K142 WeakPolarHBondContact O-CB 3.24Å; S139-K142 PolarHBondContact O-N 3.44Å; S139-E143 PolarHBondContact O-N 3.24Å
140	Y	93	Very high	91.8	Very high	15 Å²	15	38.6 Å²	38.6	6%	0.059	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-44	177.2	-55.9	-38.6	0	0	0	112.4	L125 A136 Y137 V138 K142 E143 A144 Y358 D360 L370	L125-Y140 HydrophobicContact CB-CD2 4.11Å; L125-Y140 HydrophobicContact CD1-CD2 4.48Å; L125-Y140 HydrophobicContact CD2-CD2 3.97Å; L125-Y140 HydrophobicContact CD2-CG 4.07Å; L125-Y140 HydrophobicContact CG-CD2 4.41Å; A136-Y140 HydrophobicContact CB-CE2 3.91Å; A136-Y140 WeakPolarHBondContact O-CD2 3.48Å; A136-Y140 VanDerWaalsContact O-CG 3.25Å; A136-Y140 PolarHBondContact O-N 3.25Å; Y137-Y140 PolarHBondContact O-N 3.16Å; V138-Y140 PolarHBondContact O-N 2.85Å; Y140-K142 PolarHBondContact O-N 3.47Å; Y140-E143 PolarHBondContact O-N 3.35Å; Y140-A144 PolarHBondContact O-N 2.9Å; Y140-Y358 AromaticContact CD1-CE1 3.74Å; Y140-Y358 HydrophobicContact CD1-CE1 3.74Å; Y140-Y358 AromaticContact CD1-CZ 3.91Å; Y140-Y358 WeakPolarHBondContact CD1-OH 3.26Å; Y140-Y358 HydrophobicContact CD2-CE1 4.35Å; Y140-Y358 HydrophobicContact CE1-CE1 4.01Å; Y140-Y358 AromaticContact CE1-CZ 3.91Å; Y140-Y358 WeakPolarHBondContact CE1-OH 3.45Å; Y140-Y358 AromaticContact CG-CE1 3.96Å; Y140-Y358 HydrophobicContact CG-CE1 3.96Å; Y140-D360 PolarHBondContact OH-OD1 2.91Å; Y140-D360 VanDerWaalsContact OH-OD1 3.04Å; Y140-D360 PolarHBondContact OH-OD2 3.33Å; Y140-L370 HydrophobicContact CD1-CD1 3.91Å; Y140-L370 HydrophobicContact CD1-CG 4.45Å; Y140-L370 HydrophobicContact CE1-CD1 3.57Å
141	T	94.5	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-33.5	175.8	66.6	0	0	0	0	112	Y137 V138 S139 L145 I152 F180 W181 C182 I184	Y137-T141 HydrophobicContact CD1-CG2 4.22Å; Y137-T141 HydrophobicContact CE1-CG2 4.14Å; Y137-T141 WeakPolarHBondContact O-CG2 3.3Å; Y137-T141 PolarHBondContact O-N 3.08Å; Y137-T141 VanDerWaalsContact O-N 3.1Å; V138-T141 PolarHBondContact O-N 3.44Å; V138-T141 PolarHBondContact O-OG1 3.26Å; S139-T141 PolarHBondContact O-N 3.42Å; T141-L145 PolarHBondContact O-N 3.26Å; T141-L145 VanDerWaalsContact O-N 3.14Å; T141-I152 HydrophobicContact CG2-CD1 3.94Å; T141-F180 HydrophobicContact CG2-CB 4.25Å; T141-F180 HydrophobicContact CG2-CD1 4.22Å; T141-W181 PolarHBondContact OG1-N 2.93Å; T141-W181 VanDerWaalsContact OG1-N 3.16Å; T141-C182 VanDerWaalsContact CB-SG 3.57Å; T141-I184 HydrophobicContact CG2-CD1 3.75Å; T141-I184 HydrophobicContact CG2-CG1 4.49Å
142	K	93.8	Very high	93.1	Very high	73 Å²	73	27 Å²	27	32%	0.317	14%	0.143	S	C	.	.	H	α-helix	trans	-66.2	-46.8	175.4	-177.1	-179.8	158.4	-175.8	0	111.3	V138 S139 Y140 A144 L145 L146 W181 L456	V138-K142 WeakPolarHBondContact O-CB 3.45Å; V138-K142 PolarHBondContact O-N 2.94Å; S139-K142 VanDerWaalsContact O-CB 3.29Å; S139-K142 WeakPolarHBondContact O-CB 3.24Å; S139-K142 PolarHBondContact O-N 3.44Å; Y140-K142 PolarHBondContact O-N 3.47Å; K142-A144 VanDerWaalsContact C-N 3.32Å; K142-A144 PolarHBondContact O-N 3.07Å; K142-L145 WeakPolarHBondContact O-CB 3.48Å; K142-L145 PolarHBondContact O-N 2.88Å; K142-L145 VanDerWaalsContact O-N 3.17Å; K142-L146 HydrophobicContact CG-CD1 4.18Å; K142-L146 HydrophobicContact CG-CG 4.38Å; K142-L146 WeakPolarHBondContact O-CG 3.45Å; K142-L146 PolarHBondContact O-N 3.39Å; K142-W181 HydrophobicContact CB-CB 4.33Å; K142-W181 VanDerWaalsContact CB-CD1 3.47Å; K142-W181 HydrophobicContact CB-CD2 4.48Å; K142-W181 HydrophobicContact CB-CG 3.84Å; K142-W181 HydrophobicContact CG-CD2 4.4Å; K142-W181 HydrophobicContact CG-CG 4.24Å; K142-L456 HydrophobicContact CD-CD1 3.92Å; K142-L456 VanDerWaalsContact CE-CD1 3.44Å; K142-L456 HydrophobicContact CG-CD1 4.16Å
143	E	92.8	Very high	93.6	Very high	27 Å²	27	25.8 Å²	25.8	13%	0.126	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-37.2	179.4	-69.3	-50.1	122.8	0	0	112.5	S139 Y140 L145 L146 G147 L370 I373 R374	S139-E143 PolarHBondContact O-N 3.24Å; Y140-E143 PolarHBondContact O-N 3.35Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.29Å; E143-L146 PolarHBondContact O-N 2.94Å; E143-G147 PolarHBondContact O-N 3Å; E143-G147 VanDerWaalsContact O-N 3.11Å; E143-L370 HydrophobicContact CG-CD2 3.43Å; E143-L370 VanDerWaalsContact CG-CD2 3.43Å; E143-L370 HydrophobicContact CG-CG 3.91Å; E143-I373 HydrophobicContact CB-CG2 3.87Å; E143-R374 HydrophobicContact CB-CB 4.31Å; E143-R374 WeakPolarHBondContact O-CA 3.41Å; E143-R374 WeakPolarHBondContact O-CB 3.38Å; E143-R374 IonicContact OE1-NH1 3.55Å; E143-R374 WeakPolarHBondContact OE2-CD 3.42Å; E143-R374 IonicContact OE2-CZ 2.87Å; E143-R374 IonicContact OE2-NE 3.79Å; E143-R374 IonicContact OE2-NH1 3.63Å; E143-R374 PolarHBondContact OE2-NH1 2.81Å
144	A	94.3	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-49	170.8	0	0	0	0	0	111.3	Y140 K142 L146 G147 G148 T149 I152 I373	Y140-A144 PolarHBondContact O-N 2.9Å; K142-A144 VanDerWaalsContact C-N 3.32Å; K142-A144 PolarHBondContact O-N 3.07Å; A144-L146 PolarHBondContact O-N 2.8Å; A144-G147 PolarHBondContact O-N 2.62Å; A144-G147 VanDerWaalsContact O-N 3.14Å; A144-G148 PolarHBondContact O-N 3.03Å; A144-T149 CarbonylContact C-O 3.52Å; A144-T149 HydrophobicContact CB-CG2 4.34Å; A144-T149 WeakPolarHBondContact O-CB 3.49Å; A144-T149 PolarHBondContact O-N 3.38Å; A144-I152 HydrophobicContact CB-CG2 3.88Å; A144-I373 HydrophobicContact CB-CD1 3.79Å; A144-I373 HydrophobicContact CB-CG1 3.83Å
145	L	94.5	Very high	94.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-43.7	179	-170.5	77.3	0	0	0	112.1	T141 K142 E143 G147 G148 T149 T150 W181 V443 H445 V450 V451 L456	T141-L145 PolarHBondContact O-N 3.26Å; T141-L145 VanDerWaalsContact O-N 3.14Å; K142-L145 WeakPolarHBondContact O-CB 3.48Å; K142-L145 PolarHBondContact O-N 2.88Å; K142-L145 VanDerWaalsContact O-N 3.17Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.29Å; L145-G147 PolarHBondContact O-N 3.25Å; L145-G148 PolarHBondContact O-N 3.18Å; L145-T149 VanDerWaalsContact CA-O 3.3Å; L145-T149 WeakPolarHBondContact CA-O 3.31Å; L145-T149 PolarHBondContact N-O 3.15Å; L145-T150 HydrophobicContact CD1-CG2 3.96Å; L145-W181 HydrophobicContact CB-CB 4.22Å; L145-W181 HydrophobicContact CD2-CB 4.01Å; L145-W181 HydrophobicContact CD2-CD2 4.48Å; L145-W181 HydrophobicContact CD2-CE3 3.8Å; L145-V443 HydrophobicContact CD1-CG1 4.16Å; L145-H445 HydrophobicContact CD1-CB 4.14Å; L145-V450 HydrophobicContact CD2-CB 4.16Å; L145-V450 HydrophobicContact CD2-CG1 3.57Å; L145-V451 HydrophobicContact CD2-CG2 4.12Å; L145-V451 HydrophobicContact CG-CG2 4.02Å; L145-L456 HydrophobicContact CD2-CD2 4.36Å
146	L	93	Very high	94.3	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-62.5	-25	177	-70.3	179.8	0	0	0	113	K142 E143 A144 R374 V451 L456	K142-L146 HydrophobicContact CG-CD1 4.18Å; K142-L146 HydrophobicContact CG-CG 4.38Å; K142-L146 WeakPolarHBondContact O-CG 3.45Å; K142-L146 PolarHBondContact O-N 3.39Å; E143-L146 PolarHBondContact O-N 2.94Å; A144-L146 PolarHBondContact O-N 2.8Å; L146-R374 VanDerWaalsContact CD1-NH1 3.31Å; L146-V451 HydrophobicContact CD2-CB 4.49Å; L146-V451 HydrophobicContact CD2-CG1 3.75Å; L146-V451 HydrophobicContact CD2-CG2 3.94Å; L146-L456 HydrophobicContact CD2-CD2 4.02Å; L146-L456 HydrophobicContact CD2-CG 3.98Å
147	G	91.6	Very high	94.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6	172.1	0	0	0	0	0	115.1	E143 A144 L145 R374	E143-G147 PolarHBondContact O-N 3Å; E143-G147 VanDerWaalsContact O-N 3.11Å; A144-G147 PolarHBondContact O-N 2.62Å; A144-G147 VanDerWaalsContact O-N 3.14Å; L145-G147 PolarHBondContact O-N 3.25Å; G147-R374 WeakPolarHBondContact CA-O 3.36Å
148	G	94.6	Very high	94.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	13.1	-175.6	0	0	0	0	0	115.4	G118 A144 L145 L377	G118-G148 PolarHBondContact N-O 3.42Å; A144-G148 PolarHBondContact O-N 3.03Å; L145-G148 PolarHBondContact O-N 3.18Å; G148-L377 WeakPolarHBondContact O-CD1 3.41Å
149	T	96.8	Very high	94.3	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.4	173.9	-63.7	0	0	0	0	109.8	G118 D120 A144 L145 T151 I152 R376	G118-T149 CarbonylContact O-C 3.55Å; G118-T149 VanDerWaalsContact O-CA 3.32Å; G118-T149 WeakPolarHBondContact O-CA 3.42Å; G118-T149 WeakPolarHBondContact O-CG2 3.33Å; D120-T149 HydrophobicContact CB-CG2 3.92Å; A144-T149 CarbonylContact C-O 3.52Å; A144-T149 HydrophobicContact CB-CG2 4.34Å; A144-T149 WeakPolarHBondContact O-CB 3.49Å; A144-T149 PolarHBondContact O-N 3.38Å; L145-T149 VanDerWaalsContact CA-O 3.3Å; L145-T149 WeakPolarHBondContact CA-O 3.31Å; L145-T149 PolarHBondContact N-O 3.15Å; T149-T151 VanDerWaalsContact CG2-O 3.24Å; T149-T151 WeakPolarHBondContact CG2-O 3.35Å; T149-I152 HydrophobicContact CG2-CG2 3.86Å; T149-R376 PolarHBondContact OG1-NH2 3.09Å
150	T	97.6	Very high	94.1	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.012	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-6	-178.9	57.3	0	0	0	0	113.3	A117 G118 L145 C182 D183 D423 V443 H445	A117-T150 HydrophobicContact CB-CG2 3.4Å; A117-T150 VanDerWaalsContact CB-CG2 3.4Å; A117-T150 WeakPolarHBondContact CB-OG1 3.2Å; G118-T150 PolarHBondContact O-N 3.01Å; L145-T150 HydrophobicContact CD1-CG2 3.96Å; T150-C182 WeakPolarHBondContact O-CB 3.49Å; T150-D183 PolarHBondContact O-N 3.26Å; T150-D423 HydrophobicContact CG2-CB 4.45Å; T150-V443 HydrophobicContact CG2-CG1 4.02Å; T150-H445 HydrophobicContact CG2-CB 3.99Å
151	T	98.2	Very high	93.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.7	173.3	-56.1	0	0	0	0	110.4	G118 I119 D120 T149 D183 I185 K413	G118-T151 PolarHBondContact O-N 3.35Å; I119-T151 CarbonylContact C-O 3.58Å; I119-T151 WeakPolarHBondContact CA-O 3.46Å; I119-T151 HydrophobicContact CG2-CG2 4.21Å; D120-T151 PolarHBondContact N-O 2.9Å; T149-T151 VanDerWaalsContact CG2-O 3.24Å; T149-T151 WeakPolarHBondContact CG2-O 3.35Å; T151-D183 CarbonylContact C-O 3.57Å; T151-D183 VanDerWaalsContact CA-O 3.3Å; T151-D183 WeakPolarHBondContact CA-O 3.43Å; T151-D183 HydrophobicContact CG2-CB 4.26Å; T151-I185 HydrophobicContact CG2-CD1 4.14Å; T151-I185 HydrophobicContact CG2-CG1 4.48Å; T151-K413 VanDerWaalsContact OG1-CD 3.32Å; T151-K413 WeakPolarHBondContact OG1-CD 3.41Å; T151-K413 WeakPolarHBondContact OG1-CE 3.32Å
152	I	97.2	Very high	93.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.2	175.5	63.2	171.9	0	0	0	110.7	D120 L125 T141 A144 T149 D183 I184 I185	D120-I152 HydrophobicContact CB-CG2 4.21Å; D120-I152 CarbonylContact O-C 3.57Å; L125-I152 HydrophobicContact CD1-CD1 3.54Å; T141-I152 HydrophobicContact CG2-CD1 3.94Å; A144-I152 HydrophobicContact CB-CG2 3.88Å; T149-I152 HydrophobicContact CG2-CG2 3.86Å; I152-D183 PolarHBondContact N-O 3.35Å; I152-I184 HydrophobicContact CD1-CD1 4.42Å; I152-I184 HydrophobicContact CD1-CG1 4.24Å; I152-I184 HydrophobicContact CG1-CB 4.48Å; I152-I184 HydrophobicContact CG1-CG1 3.98Å; I152-I184 HydrophobicContact CG1-CG2 4.48Å; I152-I184 WeakPolarHBondContact O-CA 3.26Å; I152-I185 PolarHBondContact O-N 3.2Å
153	V	97	Very high	93.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	104.8	170.2	-170.7	0	0	0	0	109.4	D120 M121 T123 I185 R187 L407	D120-V153 PolarHBondContact O-N 3.44Å; M121-V153 HydrophobicContact SD-CG2 4.2Å; T123-V153 PolarHBondContact N-O 3.48Å; T123-V153 VanDerWaalsContact N-O 3.09Å; T123-V153 PolarHBondContact OG1-O 3.31Å; T123-V153 VanDerWaalsContact OG1-O 3.12Å; V153-I185 CarbonylContact C-O 3.42Å; V153-I185 VanDerWaalsContact CA-O 3.31Å; V153-I185 WeakPolarHBondContact CA-O 3.48Å; V153-I185 HydrophobicContact CG1-CB 4.38Å; V153-I185 HydrophobicContact CG1-CG2 4.22Å; V153-I185 HydrophobicContact CG2-CB 4.2Å; V153-R187 HydrophobicContact CG1-CB 3.87Å; V153-L407 HydrophobicContact CG2-CD1 3.6Å; V153-L407 HydrophobicContact CG2-CD2 3.77Å; V153-L407 HydrophobicContact CG2-CG 4.31Å
154	D	95.3	Very high	93.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.6	-179.9	-170	37.2	0	0	0	110.9	T123 L125 Y137 I184 I185 R187	T123-D154 WeakPolarHBondContact OG1-CA 3.35Å; L125-D154 WeakPolarHBondContact CB-OD1 3.13Å; L125-D154 WeakPolarHBondContact CG-OD1 3.17Å; L125-D154 PolarHBondContact N-OD1 3.15Å; Y137-D154 VanDerWaalsContact CE2-OD2 3.27Å; Y137-D154 WeakPolarHBondContact CE2-OD2 3.33Å; Y137-D154 PolarHBondContact OH-OD2 3.06Å; D154-I184 HydrophobicContact CB-CG2 4.34Å; D154-I185 PolarHBondContact N-O 2.95Å; D154-R187 PolarHBondContact O-N 3.42Å
155	T	95.3	Very high	93.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.5	-176.8	-56.4	0	0	0	0	110.9	T123 Y124 V157 R187 L215	T123-T155 PolarHBondContact O-N 3.26Å; Y124-T155 HydrophobicContact CD1-CG2 4.31Å; Y124-T155 HydrophobicContact CE1-CG2 3.88Å; T155-V157 HydrophobicContact CG2-CG2 4.47Å; T155-V157 PolarHBondContact O-N 2.98Å; T155-R187 CarbonylContact C-O 3.54Å; T155-R187 WeakPolarHBondContact CA-O 3.41Å; T155-R187 HydrophobicContact CG2-CG 4.4Å; T155-R187 PolarHBondContact OG1-NH1 3.45Å; T155-L215 HydrophobicContact CG2-CB 4.13Å; T155-L215 HydrophobicContact CG2-CD2 3.83Å
156	I	93.4	Very high	93.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109.7	172.1	-60.4	163.3	0	0	0	108.1	C158 L167 Y171 I186 R187 I188 G189	I156-C158 PolarHBondContact O-N 2.68Å; I156-L167 HydrophobicContact CG2-CD1 4.49Å; I156-Y171 HydrophobicContact CB-CE2 4.24Å; I156-Y171 HydrophobicContact CD1-CD1 4.24Å; I156-Y171 HydrophobicContact CD1-CD2 3.44Å; I156-Y171 VanDerWaalsContact CD1-CD2 3.44Å; I156-Y171 HydrophobicContact CD1-CE2 3.93Å; I156-Y171 HydrophobicContact CD1-CG 3.61Å; I156-Y171 HydrophobicContact CG1-CD2 4.09Å; I156-Y171 HydrophobicContact CG1-CE2 4.08Å; I156-Y171 HydrophobicContact CG1-CG 4.34Å; I156-Y171 HydrophobicContact CG2-CD2 3.81Å; I156-Y171 HydrophobicContact CG2-CE2 3.18Å; I156-I186 HydrophobicContact CD1-CG2 3.34Å; I156-I186 HydrophobicContact CG1-CG2 4.23Å; I156-R187 PolarHBondContact N-O 3.49Å; I156-I188 HydrophobicContact CB-CD1 3.95Å; I156-I188 HydrophobicContact CD1-CD1 4.2Å; I156-I188 HydrophobicContact CG2-CD1 4.33Å; I156-G189 PolarHBondContact O-N 3.18Å
157	V	92.5	Very high	93.8	Very high	38 Å²	38	22.1 Å²	22.1	23%	0.23	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	109.9	178.9	-177.4	0	0	0	0	109.5	Y124 I129 T155 P159 I191 I217	Y124-V157 HydrophobicContact CD1-CG2 4.17Å; Y124-V157 HydrophobicContact CE1-CG2 4.32Å; I129-V157 WeakPolarHBondContact CD1-O 3.42Å; T155-V157 HydrophobicContact CG2-CG2 4.47Å; T155-V157 PolarHBondContact O-N 2.98Å; V157-P159 WeakPolarHBondContact O-CD 3.16Å; V157-I191 HydrophobicContact CG1-CB 3.78Å; V157-I191 HydrophobicContact CG1-CG2 3.82Å; V157-I217 HydrophobicContact CG1-CD1 4.27Å; V157-I217 HydrophobicContact CG2-CD1 4.16Å
158	C	93.1	Very high	93.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.2	176.6	-172.5	0	0	0	0	110.4	I156 A164 L167 I188 G189 F190 Q198	I156-C158 PolarHBondContact O-N 2.68Å; C158-A164 HydrophobicContact CB-CB 4.47Å; C158-L167 HydrophobicContact CB-CD1 3.86Å; C158-L167 VanDerWaalsContact SG-CD1 3.59Å; C158-I188 HydrophobicContact CB-CG2 4.23Å; C158-G189 WeakPolarHBondContact CB-O 3.4Å; C158-G189 PolarHBondContact N-O 3.21Å; C158-F190 HydrophobicContact CB-CD1 4.13Å; C158-F190 HydrophobicContact CB-CE1 4.28Å; C158-Q198 PolarHBondContact SG-NE2 3.15Å; C158-Q198 VanDerWaalsContact SG-NE2 3.4Å
159	P	89.6	Confident	93.9	Very high	46 Å²	46	25 Å²	25	30%	0.299	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-63.8	156.2	175.2	-20.7	33.6	0	0	0	112	I129 V157 G161 S162 Q198	I129-P159 HydrophobicContact CD1-CG 3.57Å; V157-P159 WeakPolarHBondContact O-CD 3.16Å; P159-G161 PolarHBondContact O-N 2.89Å; P159-S162 PolarHBondContact O-N 3.43Å; P159-Q198 PolarHBondContact O-NE2 3.37Å; P159-Q198 VanDerWaalsContact O-NE2 3.16Å
160	K	88	Confident	93.6	Very high	111 Å²	111	28.5 Å²	28.5	48%	0.483	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	125.9	177.7	-172.3	171.1	-176.4	161.1	0	110.9	S162 Q195	K160-S162 VanDerWaalsContact C-N 3.29Å; K160-S162 PolarHBondContact O-N 3.41Å; K160-Q195 HydrophobicContact CG-CG 4.16Å
161	G	83.7	Confident	93.3	Very high	50 Å²	50	28.4 Å²	28.4	52%	0.515	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-9.7	178.2	0	0	0	0	0	115.3	P159	P159-G161 PolarHBondContact O-N 2.89Å
162	S	91.6	Very high	93	Very high	46 Å²	46	31.8 Å²	31.8	32%	0.322	18%	0.176	S	C	.	.	S	Bend	trans	-78.1	153.4	173.8	-57.1	0	0	0	0	111.9	P159 K160 Q198	P159-S162 PolarHBondContact O-N 3.43Å; K160-S162 VanDerWaalsContact C-N 3.29Å; K160-S162 PolarHBondContact O-N 3.41Å; S162-Q198 PolarHBondContact O-NE2 3.29Å
163	S	94.4	Very high	92.8	Very high	26 Å²	26	35.7 Å²	35.7	18%	0.182	20%	0.197	C	C	.	.			trans	-76.6	126.4	169.9	178.6	0	0	0	0	110	I165 D166 L167 E201	S163-I165 VanDerWaalsContact C-N 3.28Å; S163-I165 PolarHBondContact OG-N 3.32Å; S163-D166 WeakPolarHBondContact CB-OD2 3.4Å; S163-D166 PolarHBondContact OG-N 3.35Å; S163-L167 WeakPolarHBondContact O-CG 3.3Å; S163-L167 PolarHBondContact O-N 3.24Å; S163-E201 WeakPolarHBondContact CB-OE1 3.11Å; S163-E201 VanDerWaalsContact OG-CD 3.32Å; S163-E201 PolarHBondContact OG-OE1 2.9Å; S163-E201 PolarHBondContact OG-OE2 2.92Å
164	A	95.2	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.2	-28.2	174.4	0	0	0	0	0	111.5	C158 L167 V168 I188 F190 E201 L205	C158-A164 HydrophobicContact CB-CB 4.47Å; A164-L167 PolarHBondContact O-N 3.22Å; A164-V168 WeakPolarHBondContact O-CG2 3.4Å; A164-V168 PolarHBondContact O-N 2.75Å; A164-I188 HydrophobicContact CB-CG2 3.96Å; A164-F190 HydrophobicContact CB-CE1 4.19Å; A164-E201 WeakPolarHBondContact CB-OE2 3.23Å; A164-E201 PolarHBondContact N-OE2 3.13Å; A164-L205 HydrophobicContact CB-CD1 3.78Å
165	I	96.4	Very high	92.2	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.072	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-48.6	176.4	-67.7	170	0	0	0	111	S163 L167 V168 I169 E201 Q204 L205 Y209	S163-I165 VanDerWaalsContact C-N 3.28Å; S163-I165 PolarHBondContact OG-N 3.32Å; I165-L167 PolarHBondContact O-N 2.65Å; I165-V168 PolarHBondContact O-N 3.15Å; I165-V168 VanDerWaalsContact O-N 3.11Å; I165-I169 HydrophobicContact CG2-CD1 3.82Å; I165-I169 HydrophobicContact CG2-CG1 4.4Å; I165-I169 WeakPolarHBondContact O-CG1 3.4Å; I165-I169 PolarHBondContact O-N 3.13Å; I165-E201 HydrophobicContact CD1-CB 3.87Å; I165-E201 HydrophobicContact CD1-CG 3.68Å; I165-E201 HydrophobicContact CG1-CB 4.11Å; I165-E201 HydrophobicContact CG1-CG 4.15Å; I165-E201 PolarHBondContact N-OE2 3.32Å; I165-Q204 HydrophobicContact CD1-CB 4.06Å; I165-Q204 VanDerWaalsContact CD1-CD 3.47Å; I165-Q204 HydrophobicContact CD1-CG 4.04Å; I165-L205 HydrophobicContact CB-CD2 4.48Å; I165-L205 HydrophobicContact CG1-CD2 3.7Å; I165-L205 HydrophobicContact CG1-CG 3.9Å; I165-Y209 HydrophobicContact CG1-CE2 4.27Å; I165-Y209 HydrophobicContact CG2-CE1 4.44Å; I165-Y209 HydrophobicContact CG2-CE2 3.71Å; I165-Y209 WeakPolarHBondContact CG2-OH 3.31Å
166	D	94.8	Very high	92	Very high	108 Å²	108	45 Å²	45	58%	0.578	24%	0.242	S	C	*	.	H	α-helix	trans	-58.9	-39	178.9	-70.8	-19.9	0	0	0	111.4	S163 I169 K170	S163-D166 WeakPolarHBondContact CB-OD2 3.4Å; S163-D166 PolarHBondContact OG-N 3.35Å; D166-I169 PolarHBondContact O-N 3.28Å; D166-K170 WeakPolarHBondContact O-CB 3.41Å; D166-K170 PolarHBondContact O-N 3.43Å
167	L	93.2	Very high	91.6	Very high	19 Å²	19	53.9 Å²	53.9	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-56.3	172.4	-68.6	-178.2	0	0	0	110.7	I129 I156 C158 S163 A164 I165 I169 K170 Y171	I129-L167 HydrophobicContact CG2-CD2 3.37Å; I156-L167 HydrophobicContact CG2-CD1 4.49Å; C158-L167 HydrophobicContact CB-CD1 3.86Å; C158-L167 VanDerWaalsContact SG-CD1 3.59Å; S163-L167 WeakPolarHBondContact O-CG 3.3Å; S163-L167 PolarHBondContact O-N 3.24Å; A164-L167 PolarHBondContact O-N 3.22Å; I165-L167 PolarHBondContact O-N 2.65Å; L167-I169 PolarHBondContact O-N 3.38Å; L167-K170 WeakPolarHBondContact O-CA 3.32Å; L167-K170 WeakPolarHBondContact O-CB 3.42Å; L167-K170 PolarHBondContact O-N 3.36Å; L167-Y171 HydrophobicContact CB-CD2 4.21Å; L167-Y171 HydrophobicContact CB-CE2 4.05Å; L167-Y171 HydrophobicContact CD2-CE2 4.31Å; L167-Y171 WeakPolarHBondContact O-CD2 3.23Å; L167-Y171 PolarHBondContact O-N 3.24Å
168	V	93.7	Very high	91.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-53.3	-42.5	179.6	172	0	0	0	0	111.9	A164 I165 Y171 R172 I188 L205 Y209 I211	A164-V168 WeakPolarHBondContact O-CG2 3.4Å; A164-V168 PolarHBondContact O-N 2.75Å; I165-V168 PolarHBondContact O-N 3.15Å; I165-V168 VanDerWaalsContact O-N 3.11Å; V168-Y171 PolarHBondContact O-N 3.37Å; V168-R172 HydrophobicContact CG1-CG 4.37Å; V168-R172 WeakPolarHBondContact O-CB 3.26Å; V168-R172 WeakPolarHBondContact O-CG 3.46Å; V168-R172 PolarHBondContact O-N 2.86Å; V168-I188 HydrophobicContact CG2-CD1 3.58Å; V168-I188 HydrophobicContact CG2-CG1 4.03Å; V168-L205 HydrophobicContact CG2-CD2 3.85Å; V168-Y209 HydrophobicContact CG1-CD1 3.7Å; V168-Y209 HydrophobicContact CG1-CG 4.11Å; V168-I211 HydrophobicContact CG2-CD1 4.31Å; V168-I211 HydrophobicContact CG2-CG1 4.44Å
169	I	94.1	Very high	91.4	Very high	61 Å²	61	58.8 Å²	58.8	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-48.6	176.8	-66.7	167.7	0	0	0	110.6	I165 D166 L167 Y171 R172 N173 Y209	I165-I169 HydrophobicContact CG2-CD1 3.82Å; I165-I169 HydrophobicContact CG2-CG1 4.4Å; I165-I169 WeakPolarHBondContact O-CG1 3.4Å; I165-I169 PolarHBondContact O-N 3.13Å; D166-I169 PolarHBondContact O-N 3.28Å; L167-I169 PolarHBondContact O-N 3.38Å; I169-Y171 PolarHBondContact O-N 3.34Å; I169-R172 PolarHBondContact O-N 3.23Å; I169-N173 WeakPolarHBondContact O-CB 3.43Å; I169-N173 VanDerWaalsContact O-CG 3.27Å; I169-N173 PolarHBondContact O-N 3.47Å; I169-N173 PolarHBondContact O-ND2 3.48Å; I169-Y209 HydrophobicContact CD1-CE1 4.29Å; I169-Y209 HydrophobicContact CG1-CE1 3.7Å
170	K	92.4	Very high	91.6	Very high	74 Å²	74	56.9 Å²	56.9	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-55.3	-51.9	177	-177.1	-178.4	179.1	180	0	110.9	I129 H130 D166 L167 R172 N173 T174	I129-K170 PolarHBondContact O-NZ 3.47Å; H130-K170 PolarHBondContact O-NZ 3.5Å; H130-K170 VanDerWaalsContact O-NZ 3.1Å; D166-K170 WeakPolarHBondContact O-CB 3.41Å; D166-K170 PolarHBondContact O-N 3.43Å; L167-K170 WeakPolarHBondContact O-CA 3.32Å; L167-K170 WeakPolarHBondContact O-CB 3.42Å; L167-K170 PolarHBondContact O-N 3.36Å; K170-R172 PolarHBondContact O-N 3.23Å; K170-N173 PolarHBondContact O-N 3.27Å; K170-T174 PolarHBondContact O-N 3.02Å; K170-T174 PolarHBondContact O-OG1 3.48Å; K170-T174 VanDerWaalsContact O-OG1 3.13Å
171	Y	90.9	Very high	92	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-46.4	-178.7	-75.2	-69.6	0	0	0	112.9	I126 I129 I132 I156 L167 V168 I169 N173 T174 F175	I126-Y171 HydrophobicContact CB-CE1 4.36Å; I126-Y171 HydrophobicContact CD1-CD1 3.44Å; I126-Y171 VanDerWaalsContact CD1-CD1 3.44Å; I126-Y171 HydrophobicContact CD1-CE1 3.17Å; I126-Y171 HydrophobicContact CG1-CE1 4.27Å; I126-Y171 HydrophobicContact CG2-CE1 3.8Å; I129-Y171 WeakPolarHBondContact CB-OH 3.49Å; I129-Y171 WeakPolarHBondContact CG1-OH 3.47Å; I129-Y171 HydrophobicContact CG2-CE2 4.16Å; I129-Y171 WeakPolarHBondContact CG2-OH 3.35Å; I132-Y171 HydrophobicContact CD1-CD1 3.43Å; I132-Y171 VanDerWaalsContact CD1-CD1 3.43Å; I132-Y171 HydrophobicContact CD1-CE1 3.26Å; I132-Y171 HydrophobicContact CD1-CG 4.48Å; I132-Y171 HydrophobicContact CG1-CD1 4.39Å; I132-Y171 HydrophobicContact CG1-CE1 3.8Å; I156-Y171 HydrophobicContact CB-CE2 4.24Å; I156-Y171 HydrophobicContact CD1-CD1 4.24Å; I156-Y171 HydrophobicContact CD1-CD2 3.44Å; I156-Y171 VanDerWaalsContact CD1-CD2 3.44Å; I156-Y171 HydrophobicContact CD1-CE2 3.93Å; I156-Y171 HydrophobicContact CD1-CG 3.61Å; I156-Y171 HydrophobicContact CG1-CD2 4.09Å; I156-Y171 HydrophobicContact CG1-CE2 4.08Å; I156-Y171 HydrophobicContact CG1-CG 4.34Å; I156-Y171 HydrophobicContact CG2-CD2 3.81Å; I156-Y171 HydrophobicContact CG2-CE2 3.18Å; L167-Y171 HydrophobicContact CB-CD2 4.21Å; L167-Y171 HydrophobicContact CB-CE2 4.05Å; L167-Y171 HydrophobicContact CD2-CE2 4.31Å; L167-Y171 WeakPolarHBondContact O-CD2 3.23Å; L167-Y171 PolarHBondContact O-N 3.24Å; V168-Y171 PolarHBondContact O-N 3.37Å; I169-Y171 PolarHBondContact O-N 3.34Å; Y171-N173 VanDerWaalsContact C-N 3.28Å; Y171-N173 PolarHBondContact O-N 2.97Å; Y171-T174 PolarHBondContact O-N 3.06Å; Y171-F175 HydrophobicContact CD1-CE2 4.26Å; Y171-F175 WeakPolarHBondContact O-CB 3.38Å; Y171-F175 WeakPolarHBondContact O-CD2 3.41Å; Y171-F175 WeakPolarHBondContact O-CG 3.42Å; Y171-F175 PolarHBondContact O-N 2.79Å
172	R	91.6	Very high	92.5	Very high	71 Å²	71	50.5 Å²	50.5	27%	0.268	25%	0.248	S	C	.	.	H	α-helix	trans	-59.7	-41.2	176	-77.3	-176.6	166.7	-176.1	-5.1	111.9	V168 I169 K170 F175 K176 Y209	V168-R172 HydrophobicContact CG1-CG 4.37Å; V168-R172 WeakPolarHBondContact O-CB 3.26Å; V168-R172 WeakPolarHBondContact O-CG 3.46Å; V168-R172 PolarHBondContact O-N 2.86Å; I169-R172 PolarHBondContact O-N 3.23Å; K170-R172 PolarHBondContact O-N 3.23Å; R172-F175 PolarHBondContact O-N 3.13Å; R172-K176 WeakPolarHBondContact O-CG 3.32Å; R172-K176 PolarHBondContact O-N 2.86Å; R172-Y209 VanDerWaalsContact CZ-O 3.3Å; R172-Y209 PolarHBondContact NH1-O 3.49Å; R172-Y209 PolarHBondContact NH2-O 2.95Å
173	N	92	Very high	92.7	Very high	82 Å²	82	48.3 Å²	48.3	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-65.8	-44.4	177.3	-73.7	-28	0	0	0	111.9	I169 K170 Y171 F175 K176	I169-N173 WeakPolarHBondContact O-CB 3.43Å; I169-N173 VanDerWaalsContact O-CG 3.27Å; I169-N173 PolarHBondContact O-N 3.47Å; I169-N173 PolarHBondContact O-ND2 3.48Å; K170-N173 PolarHBondContact O-N 3.27Å; Y171-N173 VanDerWaalsContact C-N 3.28Å; Y171-N173 PolarHBondContact O-N 2.97Å; N173-F175 VanDerWaalsContact C-N 3.25Å; N173-F175 PolarHBondContact O-N 2.98Å; N173-K176 PolarHBondContact O-N 3.3Å; N173-K176 WeakPolarHBondContact OD1-CE 3.38Å; N173-K176 PolarHBondContact OD1-NZ 2.87Å
174	T	90.7	Very high	92.8	Very high	49 Å²	49	47 Å²	47	30%	0.301	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-38	175.4	-60.3	0	0	0	0	112	I132 T134 K170 Y171 V178	I132-T174 HydrophobicContact CB-CG2 4.31Å; I132-T174 HydrophobicContact CD1-CG2 3.98Å; I132-T174 HydrophobicContact CG2-CG2 4.31Å; T134-T174 HydrophobicContact CG2-CG2 3.9Å; K170-T174 PolarHBondContact O-N 3.02Å; K170-T174 PolarHBondContact O-OG1 3.48Å; K170-T174 VanDerWaalsContact O-OG1 3.13Å; Y171-T174 PolarHBondContact O-N 3.06Å; T174-V178 WeakPolarHBondContact O-CG2 3.35Å
175	F	90.6	Very high	92.9	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-89.1	-1.4	-175	-68.6	-29.2	0	0	0	115.6	I126 I132 Y137 Y171 R172 N173 E177 V178 F180 L484	I126-F175 HydrophobicContact CD1-CE2 4Å; I126-F175 HydrophobicContact CD1-CZ 3.67Å; I132-F175 HydrophobicContact CG2-CE1 4.21Å; I132-F175 HydrophobicContact CG2-CZ 4.36Å; Y137-F175 HydrophobicContact CD1-CE1 4.1Å; Y137-F175 HydrophobicContact CD1-CZ 4.17Å; Y137-F175 HydrophobicContact CD2-CE1 4.37Å; Y137-F175 AromaticContact CD2-CZ 3.95Å; Y137-F175 HydrophobicContact CD2-CZ 3.95Å; Y137-F175 HydrophobicContact CE1-CE1 4.13Å; Y137-F175 HydrophobicContact CE1-CE2 4.37Å; Y137-F175 AromaticContact CE1-CZ 3.86Å; Y137-F175 HydrophobicContact CE1-CZ 3.86Å; Y137-F175 HydrophobicContact CE2-CE1 4.44Å; Y137-F175 HydrophobicContact CE2-CE2 4.32Å; Y137-F175 AromaticContact CE2-CZ 3.65Å; Y137-F175 HydrophobicContact CE2-CZ 3.65Å; Y137-F175 HydrophobicContact CG-CE1 4.2Å; Y137-F175 HydrophobicContact CG-CZ 4.2Å; Y137-F175 AromaticContact CZ-CE2 3.99Å; Y137-F175 AromaticContact CZ-CZ 3.61Å; Y171-F175 HydrophobicContact CD1-CE2 4.26Å; Y171-F175 WeakPolarHBondContact O-CB 3.38Å; Y171-F175 WeakPolarHBondContact O-CD2 3.41Å; Y171-F175 WeakPolarHBondContact O-CG 3.42Å; Y171-F175 PolarHBondContact O-N 2.79Å; R172-F175 PolarHBondContact O-N 3.13Å; N173-F175 VanDerWaalsContact C-N 3.25Å; N173-F175 PolarHBondContact O-N 2.98Å; F175-E177 PolarHBondContact O-N 2.79Å; F175-V178 HydrophobicContact CD1-CB 4.29Å; F175-V178 HydrophobicContact CD1-CG2 4.15Å; F175-V178 PolarHBondContact O-N 3.01Å; F175-F180 HydrophobicContact CB-CE2 4.34Å; F175-F180 HydrophobicContact CB-CZ 3.74Å; F175-F180 HydrophobicContact CD1-CE1 4.03Å; F175-F180 AromaticContact CD1-CZ 3.71Å; F175-F180 HydrophobicContact CD1-CZ 3.71Å; F175-F180 HydrophobicContact CD2-CZ 4.27Å; F175-F180 HydrophobicContact CE1-CE1 4.32Å; F175-F180 HydrophobicContact CE1-CZ 4.37Å; F175-F180 HydrophobicContact CG-CE1 4.39Å; F175-F180 AromaticContact CG-CZ 3.66Å; F175-F180 HydrophobicContact CG-CZ 3.66Å; F175-L484 HydrophobicContact CB-CD1 4.45Å
176	K	89.3	Confident	92.9	Very high	139 Å²	139	47.1 Å²	47.1	60%	0.604	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.3	177.6	-86	170.9	179.9	172	0	113.5	R172 N173	R172-K176 WeakPolarHBondContact O-CG 3.32Å; R172-K176 PolarHBondContact O-N 2.86Å; N173-K176 PolarHBondContact O-N 3.3Å; N173-K176 WeakPolarHBondContact OD1-CE 3.38Å; N173-K176 PolarHBondContact OD1-NZ 2.87Å
177	E	86.6	Confident	92.9	Very high	188 Å²	188	42 Å²	42	88%	0.879	20%	0.197	S	C	*	.	S	Bend	trans	-105.1	-3.8	-175.6	-61.4	-176.3	174.2	0	0	113	F175	F175-E177 PolarHBondContact O-N 2.79Å
178	V	90.6	Very high	93.1	Very high	27 Å²	27	41.1 Å²	41.1	16%	0.164	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-88.5	130.1	-178.5	-174.6	0	0	0	0	109.3	T134 V138 T174 F175 F180	T134-V178 HydrophobicContact CG2-CG2 3.8Å; V138-V178 HydrophobicContact CG2-CG1 3.52Å; T174-V178 WeakPolarHBondContact O-CG2 3.35Å; F175-V178 HydrophobicContact CD1-CB 4.29Å; F175-V178 HydrophobicContact CD1-CG2 4.15Å; F175-V178 PolarHBondContact O-N 3.01Å; V178-F180 HydrophobicContact CB-CE1 3.91Å; V178-F180 HydrophobicContact CB-CZ 3.91Å; V178-F180 HydrophobicContact CG1-CD1 3.96Å; V178-F180 HydrophobicContact CG1-CE1 3.39Å; V178-F180 HydrophobicContact CG1-CZ 3.93Å
179	K	91	Very high	93.2	Very high	116 Å²	116	41.1 Å²	41.1	50%	0.504	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-101.5	123.1	175.7	-62.2	-176.7	176	-178.2	0	110.2	P480	K179-P480 HydrophobicContact CB-CB 3.81Å; K179-P480 HydrophobicContact CB-CG 3.48Å; K179-P480 VanDerWaalsContact CB-CG 3.48Å; K179-P480 HydrophobicContact CD-CG 4.33Å; K179-P480 WeakPolarHBondContact O-CB 3.47Å
180	F	93.6	Very high	93.2	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.022	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-97.7	155.6	-177	-49.1	-65.5	0	0	0	112.4	Y137 T141 F175 V178 C182 I184 P480 Q481 G482 L484	Y137-F180 AromaticContact CD1-CD1 3.8Å; Y137-F180 HydrophobicContact CD1-CD1 3.8Å; Y137-F180 AromaticContact CD1-CE1 3.49Å; Y137-F180 HydrophobicContact CD1-CE1 3.49Å; Y137-F180 VanDerWaalsContact CD1-CE1 3.49Å; Y137-F180 AromaticContact CE1-CD1 3.72Å; Y137-F180 HydrophobicContact CE1-CD1 3.72Å; Y137-F180 AromaticContact CE1-CE1 3.4Å; Y137-F180 HydrophobicContact CE1-CE1 3.4Å; Y137-F180 HydrophobicContact CE1-CZ 4.22Å; T141-F180 HydrophobicContact CG2-CB 4.25Å; T141-F180 HydrophobicContact CG2-CD1 4.22Å; F175-F180 HydrophobicContact CB-CE2 4.34Å; F175-F180 HydrophobicContact CB-CZ 3.74Å; F175-F180 HydrophobicContact CD1-CE1 4.03Å; F175-F180 AromaticContact CD1-CZ 3.71Å; F175-F180 HydrophobicContact CD1-CZ 3.71Å; F175-F180 HydrophobicContact CD2-CZ 4.27Å; F175-F180 HydrophobicContact CE1-CE1 4.32Å; F175-F180 HydrophobicContact CE1-CZ 4.37Å; F175-F180 HydrophobicContact CG-CE1 4.39Å; F175-F180 AromaticContact CG-CZ 3.66Å; F175-F180 HydrophobicContact CG-CZ 3.66Å; V178-F180 HydrophobicContact CB-CE1 3.91Å; V178-F180 HydrophobicContact CB-CZ 3.91Å; V178-F180 HydrophobicContact CG1-CD1 3.96Å; V178-F180 HydrophobicContact CG1-CE1 3.39Å; V178-F180 HydrophobicContact CG1-CZ 3.93Å; F180-C182 WeakPolarHBondContact CB-O 3.46Å; F180-I184 HydrophobicContact CB-CD1 3.88Å; F180-I184 HydrophobicContact CB-CG1 4.39Å; F180-I184 HydrophobicContact CD1-CD1 3.51Å; F180-I184 HydrophobicContact CD2-CD1 3.73Å; F180-I184 HydrophobicContact CD2-CG1 4.36Å; F180-I184 HydrophobicContact CE1-CD1 3.93Å; F180-I184 HydrophobicContact CE2-CD1 4.13Å; F180-I184 HydrophobicContact CG-CD1 3.4Å; F180-I184 HydrophobicContact CG-CG1 4.24Å; F180-I184 HydrophobicContact CZ-CD1 4.21Å; F180-P480 CarbonylContact O-C 3.56Å; F180-P480 VanDerWaalsContact O-C 3.26Å; F180-P480 VanDerWaalsContact O-CA 3.29Å; F180-P480 WeakPolarHBondContact O-CA 3.3Å; F180-P480 WeakPolarHBondContact O-CB 3.17Å; F180-Q481 PolarHBondContact O-N 3.39Å; F180-G482 WeakPolarHBondContact O-CA 3.47Å; F180-G482 PolarHBondContact O-N 3.49Å; F180-L484 HydrophobicContact CE2-CG 4.5Å
181	W	94.6	Very high	93.1	Very high	27 Å²	27	36.5 Å²	36.5	10%	0.102	17%	0.171	C	C	.	.	S	Bend	trans	-81.5	-29.9	176.3	-75.5	93	0	0	0	113.5	T141 K142 L145 H445 V450 L456 P480	T141-W181 PolarHBondContact OG1-N 2.93Å; T141-W181 VanDerWaalsContact OG1-N 3.16Å; K142-W181 HydrophobicContact CB-CB 4.33Å; K142-W181 VanDerWaalsContact CB-CD1 3.47Å; K142-W181 HydrophobicContact CB-CD2 4.48Å; K142-W181 HydrophobicContact CB-CG 3.84Å; K142-W181 HydrophobicContact CG-CD2 4.4Å; K142-W181 HydrophobicContact CG-CG 4.24Å; L145-W181 HydrophobicContact CB-CB 4.22Å; L145-W181 HydrophobicContact CD2-CB 4.01Å; L145-W181 HydrophobicContact CD2-CD2 4.48Å; L145-W181 HydrophobicContact CD2-CE3 3.8Å; W181-H445 PolarHBondContact O-CE1 2.77Å; W181-H445 VanDerWaalsContact O-CE1 3.26Å; W181-H445 PolarHBondContact O-ND1 3.27Å; W181-H445 VanDerWaalsContact O-ND1 3.16Å; W181-V450 HydrophobicContact CE3-CG1 4.1Å; W181-V450 HydrophobicContact CZ3-CG1 3.89Å; W181-L456 HydrophobicContact CE3-CD1 4.38Å; W181-L456 HydrophobicContact CE3-CD2 3.82Å; W181-L456 HydrophobicContact CH2-CD1 3.45Å; W181-L456 VanDerWaalsContact CH2-CD1 3.45Å; W181-L456 HydrophobicContact CH2-CD2 4.06Å; W181-L456 HydrophobicContact CH2-CG 4.36Å; W181-L456 HydrophobicContact CZ2-CD1 3.61Å; W181-L456 HydrophobicContact CZ3-CD1 3.86Å; W181-L456 HydrophobicContact CZ3-CD2 3.56Å; W181-L456 HydrophobicContact CZ3-CG 4.34Å; W181-P480 HydrophobicContact CD2-CB 4.15Å; W181-P480 HydrophobicContact CG-CB 4.24Å
182	C	94.9	Very high	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-123.5	159.7	177.7	64.1	0	0	0	0	110.4	T141 T150 F180 G482	T141-C182 VanDerWaalsContact CB-SG 3.57Å; T150-C182 WeakPolarHBondContact O-CB 3.49Å; F180-C182 WeakPolarHBondContact CB-O 3.46Å; C182-G482 VanDerWaalsContact C-CA 3.49Å; C182-G482 VanDerWaalsContact O-CA 3.29Å; C182-G482 WeakPolarHBondContact O-CA 3.25Å
183	D	97	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	149.1	171.5	-78.2	-13.7	0	0	0	111.5	T150 T151 I152 K413 H445 H446 S483 Q485	T150-D183 PolarHBondContact O-N 3.26Å; T151-D183 CarbonylContact C-O 3.57Å; T151-D183 VanDerWaalsContact CA-O 3.3Å; T151-D183 WeakPolarHBondContact CA-O 3.43Å; T151-D183 HydrophobicContact CG2-CB 4.26Å; I152-D183 PolarHBondContact N-O 3.35Å; D183-K413 WeakPolarHBondContact OD2-CE 3.37Å; D183-K413 IonicContact OD2-NZ 3.68Å; D183-K413 PolarHBondContact OD2-NZ 2.92Å; D183-H445 IonicContact OD1-NE2 3.43Å; D183-H446 IonicContact OD1-CE1 3.72Å; D183-H446 IonicContact OD1-NE2 2.65Å; D183-H446 PolarHBondContact OD1-NE2 3.4Å; D183-H446 IonicContact OD2-CE1 3.7Å; D183-H446 PolarHBondContact OD2-CE1 2.89Å; D183-H446 IonicContact OD2-NE2 2.91Å; D183-H446 PolarHBondContact OD2-NE2 3.25Å; D183-S483 CarbonylContact C-O 3.6Å; D183-S483 WeakPolarHBondContact CA-O 2.99Å; D183-S483 PolarHBondContact OD1-N 3.43Å; D183-S483 PolarHBondContact OD1-OG 2.96Å; D183-Q485 HydrophobicContact CB-CG 3.75Å; D183-Q485 PolarHBondContact OD2-NE2 3.22Å
184	I	96.6	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.8	-173.3	-54.7	-173.8	0	0	0	110.1	Y137 T141 I152 D154 F180 S483 L484 Q485	Y137-I184 HydrophobicContact CD1-CD1 4.48Å; Y137-I184 HydrophobicContact CE1-CD1 3.39Å; T141-I184 HydrophobicContact CG2-CD1 3.75Å; T141-I184 HydrophobicContact CG2-CG1 4.49Å; I152-I184 HydrophobicContact CD1-CD1 4.42Å; I152-I184 HydrophobicContact CD1-CG1 4.24Å; I152-I184 HydrophobicContact CG1-CB 4.48Å; I152-I184 HydrophobicContact CG1-CG1 3.98Å; I152-I184 HydrophobicContact CG1-CG2 4.48Å; I152-I184 WeakPolarHBondContact O-CA 3.26Å; D154-I184 HydrophobicContact CB-CG2 4.34Å; F180-I184 HydrophobicContact CB-CD1 3.88Å; F180-I184 HydrophobicContact CB-CG1 4.39Å; F180-I184 HydrophobicContact CD1-CD1 3.51Å; F180-I184 HydrophobicContact CD2-CD1 3.73Å; F180-I184 HydrophobicContact CD2-CG1 4.36Å; F180-I184 HydrophobicContact CE1-CD1 3.93Å; F180-I184 HydrophobicContact CE2-CD1 4.13Å; F180-I184 HydrophobicContact CG-CD1 3.4Å; F180-I184 HydrophobicContact CG-CG1 4.24Å; F180-I184 HydrophobicContact CZ-CD1 4.21Å; I184-S483 PolarHBondContact N-O 2.88Å; I184-L484 HydrophobicContact CB-CD2 4.03Å; I184-L484 HydrophobicContact CG2-CD2 4.06Å; I184-L484 CarbonylContact O-C 3.57Å; I184-L484 WeakPolarHBondContact O-CA 3.42Å; I184-Q485 PolarHBondContact O-N 3.47Å
185	I	96.3	Very high	92.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.7	170.1	-66.3	170.2	0	0	0	108.1	T151 I152 V153 D154 L407 L409 Q485	T151-I185 HydrophobicContact CG2-CD1 4.14Å; T151-I185 HydrophobicContact CG2-CG1 4.48Å; I152-I185 PolarHBondContact O-N 3.2Å; V153-I185 CarbonylContact C-O 3.42Å; V153-I185 VanDerWaalsContact CA-O 3.31Å; V153-I185 WeakPolarHBondContact CA-O 3.48Å; V153-I185 HydrophobicContact CG1-CB 4.38Å; V153-I185 HydrophobicContact CG1-CG2 4.22Å; V153-I185 HydrophobicContact CG2-CB 4.2Å; D154-I185 PolarHBondContact N-O 2.95Å; I185-L407 HydrophobicContact CD1-CB 4.49Å; I185-L407 HydrophobicContact CD1-CD1 3.99Å; I185-L409 HydrophobicContact CD1-CD1 3.49Å; I185-L409 VanDerWaalsContact CD1-CD1 3.49Å; I185-L409 HydrophobicContact CD1-CD2 4.13Å; I185-L409 HydrophobicContact CD1-CG 4.2Å; I185-Q485 HydrophobicContact CD1-CB 4.24Å; I185-Q485 HydrophobicContact CG1-CB 3.74Å
186	I	95.6	Very high	92.6	Very high	12 Å²	12	37 Å²	37	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.5	178.8	-66.1	172.8	0	0	0	109.5	I156 I188 I211 L484	I156-I186 HydrophobicContact CD1-CG2 3.34Å; I156-I186 HydrophobicContact CG1-CG2 4.23Å; I186-I188 HydrophobicContact CG2-CD1 4.25Å; I186-I211 HydrophobicContact CB-CD1 4.21Å; I186-I211 HydrophobicContact CG2-CD1 3.9Å; I186-L484 HydrophobicContact CD1-CD2 3.92Å; I186-L484 HydrophobicContact CG1-CD2 4.12Å
187	R	96.5	Very high	92.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144	167	-179.3	178	-57.5	124.2	-6.6	110	M121 V153 D154 T155 I156 S213	M121-R187 PolarHBondContact O-NH1 3.02Å; M121-R187 PolarHBondContact O-NH2 3.14Å; V153-R187 HydrophobicContact CG1-CB 3.87Å; D154-R187 PolarHBondContact O-N 3.42Å; T155-R187 CarbonylContact C-O 3.54Å; T155-R187 WeakPolarHBondContact CA-O 3.41Å; T155-R187 HydrophobicContact CG2-CG 4.4Å; T155-R187 PolarHBondContact OG1-NH1 3.45Å; I156-R187 PolarHBondContact N-O 3.49Å; R187-S213 WeakPolarHBondContact CG-O 3.44Å; R187-S213 PolarHBondContact NE-OG 2.96Å
188	I	96.4	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.7	170.8	-58.6	-51.7	0	0	0	110.2	I156 C158 A164 V168 I186 F190 I211 F214 L215	I156-I188 HydrophobicContact CB-CD1 3.95Å; I156-I188 HydrophobicContact CD1-CD1 4.2Å; I156-I188 HydrophobicContact CG2-CD1 4.33Å; C158-I188 HydrophobicContact CB-CG2 4.23Å; A164-I188 HydrophobicContact CB-CG2 3.96Å; V168-I188 HydrophobicContact CG2-CD1 3.58Å; V168-I188 HydrophobicContact CG2-CG1 4.03Å; I186-I188 HydrophobicContact CG2-CD1 4.25Å; I188-F190 HydrophobicContact CG2-CE1 3.92Å; I188-F190 HydrophobicContact CG2-CE2 4.14Å; I188-F190 HydrophobicContact CG2-CZ 3.69Å; I188-I211 HydrophobicContact CG1-CD1 4.49Å; I188-I211 HydrophobicContact CG1-CG1 4.43Å; I188-I211 HydrophobicContact CG1-CG2 4.28Å; I188-F214 HydrophobicContact CB-CD1 4.08Å; I188-F214 HydrophobicContact CB-CE1 4.35Å; I188-F214 CarbonylContact O-C 3.34Å; I188-F214 VanDerWaalsContact O-CA 3.3Å; I188-F214 WeakPolarHBondContact O-CA 3.44Å; I188-L215 PolarHBondContact O-N 3.32Å
189	G	95.6	Very high	93.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	147.7	172	0	0	0	0	0	112.1	I156 C158 L215	I156-G189 PolarHBondContact O-N 3.18Å; C158-G189 WeakPolarHBondContact CB-O 3.4Å; C158-G189 PolarHBondContact N-O 3.21Å; G189-L215 CarbonylContact C-O 3.58Å; G189-L215 WeakPolarHBondContact CA-O 3.45Å
190	F	95.3	Very high	93.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.9	173.8	-56.8	-77.3	0	0	0	109	C158 A164 I188 I194 Q198 F214 L215 F216 I217	C158-F190 HydrophobicContact CB-CD1 4.13Å; C158-F190 HydrophobicContact CB-CE1 4.28Å; A164-F190 HydrophobicContact CB-CE1 4.19Å; I188-F190 HydrophobicContact CG2-CE1 3.92Å; I188-F190 HydrophobicContact CG2-CE2 4.14Å; I188-F190 HydrophobicContact CG2-CZ 3.69Å; F190-I194 HydrophobicContact CB-CB 4.14Å; F190-I194 HydrophobicContact CB-CG1 4.41Å; F190-I194 HydrophobicContact CD1-CD1 4.19Å; F190-I194 HydrophobicContact CD1-CG1 4.01Å; F190-I194 HydrophobicContact CD2-CD1 3.77Å; F190-I194 HydrophobicContact CD2-CG1 4.24Å; F190-I194 HydrophobicContact CE1-CD1 4.15Å; F190-I194 HydrophobicContact CE1-CG1 4.33Å; F190-I194 HydrophobicContact CE2-CD1 3.71Å; F190-I194 HydrophobicContact CG-CB 4.21Å; F190-I194 HydrophobicContact CG-CD1 4Å; F190-I194 HydrophobicContact CG-CG1 3.95Å; F190-I194 HydrophobicContact CZ-CD1 3.9Å; F190-Q198 HydrophobicContact CD1-CB 4.19Å; F190-Q198 HydrophobicContact CD1-CG 4.32Å; F190-Q198 HydrophobicContact CE1-CB 3.73Å; F190-Q198 HydrophobicContact CE1-CG 4.03Å; F190-Q198 HydrophobicContact CZ-CB 4.46Å; F190-F214 HydrophobicContact CE2-CB 4.31Å; F190-F214 AromaticContact CE2-CD1 3.78Å; F190-F214 HydrophobicContact CE2-CD1 3.78Å; F190-F214 HydrophobicContact CE2-CG 4.4Å; F190-F214 HydrophobicContact CZ-CD1 4.22Å; F190-L215 PolarHBondContact N-O 2.79Å; F190-F216 HydrophobicContact CD2-CD1 4.05Å; F190-F216 AromaticContact CD2-CE1 3.86Å; F190-F216 HydrophobicContact CD2-CE1 3.86Å; F190-F216 HydrophobicContact CE2-CE1 4.3Å; F190-I217 WeakPolarHBondContact O-CB 3.42Å; F190-I217 PolarHBondContact O-N 3.34Å
191	I	88.7	Confident	94	Very high	35 Å²	35	24.4 Å²	24.4	18%	0.179	12%	0.122	C	C	.	.			trans	-103.4	149.1	178.8	-162	174	0	0	0	110.7	V157 G193 I217	V157-I191 HydrophobicContact CG1-CB 3.78Å; V157-I191 HydrophobicContact CG1-CG2 3.82Å; I191-G193 VanDerWaalsContact C-N 3.29Å; I191-G193 PolarHBondContact O-N 2.87Å; I191-I217 HydrophobicContact CB-CD1 4.4Å; I191-I217 HydrophobicContact CG1-CB 4.33Å; I191-I217 HydrophobicContact CG1-CD1 4.47Å; I191-I217 HydrophobicContact CG1-CG2 4.17Å
192	E	81.5	Confident	94.1	Very high	82 Å²	82	23.1 Å²	23.1	38%	0.383	12%	0.117	S	C	.	.	S	Bend	trans	58.6	36	178.2	-49.1	-165.4	145.8	0	0	114.6	K258	E192-K258 IonicContact OE1-NZ 2.69Å
193	G	84.9	Confident	94.2	Very high	7 Å²	7	26.6 Å²	26.6	7%	0.072	13%	0.133	C	C	.	.	S	Bend	trans	80.9	126.4	178	0	0	0	0	0	113.4	I191 Q195 Y232	I191-G193 VanDerWaalsContact C-N 3.29Å; I191-G193 PolarHBondContact O-N 2.87Å; G193-Q195 PolarHBondContact O-NE2 3.39Å; G193-Y232 VanDerWaalsContact CA-CE2 3.41Å
194	I	93.7	Very high	94.2	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	15%	0.15	C	C	.	.			trans	-63.9	139	177.4	-169.6	173.1	0	0	0	111.4	F190 Q198 I199 I202 F216 N235 A239	F190-I194 HydrophobicContact CB-CB 4.14Å; F190-I194 HydrophobicContact CB-CG1 4.41Å; F190-I194 HydrophobicContact CD1-CD1 4.19Å; F190-I194 HydrophobicContact CD1-CG1 4.01Å; F190-I194 HydrophobicContact CD2-CD1 3.77Å; F190-I194 HydrophobicContact CD2-CG1 4.24Å; F190-I194 HydrophobicContact CE1-CD1 4.15Å; F190-I194 HydrophobicContact CE1-CG1 4.33Å; F190-I194 HydrophobicContact CE2-CD1 3.71Å; F190-I194 HydrophobicContact CG-CB 4.21Å; F190-I194 HydrophobicContact CG-CD1 4Å; F190-I194 HydrophobicContact CG-CG1 3.95Å; F190-I194 HydrophobicContact CZ-CD1 3.9Å; I194-Q198 HydrophobicContact CD1-CB 4.16Å; I194-Q198 HydrophobicContact CG1-CB 3.74Å; I194-I199 HydrophobicContact CD1-CG1 3.72Å; I194-I199 HydrophobicContact CG1-CG1 3.87Å; I194-I199 HydrophobicContact CG2-CD1 4.26Å; I194-I199 HydrophobicContact CG2-CG1 4.14Å; I194-I202 HydrophobicContact CD1-CD1 4.01Å; I194-F216 HydrophobicContact CB-CD1 4.43Å; I194-F216 HydrophobicContact CB-CE1 4.37Å; I194-F216 HydrophobicContact CD1-CE1 3.83Å; I194-F216 HydrophobicContact CG2-CD1 4.38Å; I194-F216 HydrophobicContact CG2-CE1 4.25Å; I194-N235 HydrophobicContact CG2-CB 4.16Å; I194-N235 VanDerWaalsContact O-CB 3.29Å; I194-N235 WeakPolarHBondContact O-CB 3.46Å; I194-N235 PolarHBondContact O-ND2 3.16Å; I194-A239 HydrophobicContact CD1-CB 3.97Å; I194-A239 HydrophobicContact CG2-CB 3.8Å
195	Q	93.4	Very high	94.2	Very high	47 Å²	47	30.2 Å²	30.2	22%	0.22	15%	0.15	C	C	.	.			trans	-97.3	157	-178.8	-57.7	-56.4	-53.2	0	0	111.8	K160 G193 N197 Q198 I199	K160-Q195 HydrophobicContact CG-CG 4.16Å; G193-Q195 PolarHBondContact O-NE2 3.39Å; Q195-N197 VanDerWaalsContact C-N 3.28Å; Q195-N197 WeakPolarHBondContact CB-OD1 3.28Å; Q195-N197 PolarHBondContact O-N 2.85Å; Q195-Q198 VanDerWaalsContact N-OE1 3.09Å; Q195-Q198 WeakPolarHBondContact O-CB 3.37Å; Q195-Q198 PolarHBondContact O-N 2.94Å; Q195-I199 WeakPolarHBondContact O-CG1 3.38Å; Q195-I199 PolarHBondContact O-N 3.34Å
196	E	93.6	Very high	94.3	Very high	79 Å²	79	30.3 Å²	30.3	37%	0.369	15%	0.15	S	C	.	.	H	α-helix	trans	-58.5	-37.6	-175.9	-168.9	76.3	-176.9	0	0	112.8	Q198 I199 N200 K238	E196-Q198 PolarHBondContact O-N 2.77Å; E196-I199 PolarHBondContact O-N 2.86Å; E196-N200 PolarHBondContact O-N 3.31Å; E196-N200 VanDerWaalsContact O-N 3.15Å; E196-N200 PolarHBondContact O-ND2 3.24Å; E196-K238 IonicContact OE1-NZ 3.94Å; E196-K238 PolarHBondContact OE1-NZ 3.09Å; E196-K238 IonicContact OE2-NZ 3.98Å; E196-K238 PolarHBondContact OE2-NZ 3.11Å
197	N	93.3	Very high	94.3	Very high	71 Å²	71	36.4 Å²	36.4	38%	0.38	18%	0.177	S	C	.	.	H	α-helix	trans	-60.5	-45	175	63	-29.9	0	0	0	111.6	Q195 N200 E201	Q195-N197 VanDerWaalsContact C-N 3.28Å; Q195-N197 WeakPolarHBondContact CB-OD1 3.28Å; Q195-N197 PolarHBondContact O-N 2.85Å; N197-N200 PolarHBondContact O-N 2.81Å; N197-E201 WeakPolarHBondContact O-CG 3.25Å; N197-E201 PolarHBondContact O-N 3.34Å
198	Q	95.9	Very high	94.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-36.5	178	-66.7	169.5	-24.9	0	0	112.1	C158 P159 S162 F190 I194 Q195 E196 N200 E201 I202	C158-Q198 PolarHBondContact SG-NE2 3.15Å; C158-Q198 VanDerWaalsContact SG-NE2 3.4Å; P159-Q198 PolarHBondContact O-NE2 3.37Å; P159-Q198 VanDerWaalsContact O-NE2 3.16Å; S162-Q198 PolarHBondContact O-NE2 3.29Å; F190-Q198 HydrophobicContact CD1-CB 4.19Å; F190-Q198 HydrophobicContact CD1-CG 4.32Å; F190-Q198 HydrophobicContact CE1-CB 3.73Å; F190-Q198 HydrophobicContact CE1-CG 4.03Å; F190-Q198 HydrophobicContact CZ-CB 4.46Å; I194-Q198 HydrophobicContact CD1-CB 4.16Å; I194-Q198 HydrophobicContact CG1-CB 3.74Å; Q195-Q198 VanDerWaalsContact N-OE1 3.09Å; Q195-Q198 WeakPolarHBondContact O-CB 3.37Å; Q195-Q198 PolarHBondContact O-N 2.94Å; E196-Q198 PolarHBondContact O-N 2.77Å; Q198-N200 VanDerWaalsContact C-N 3.29Å; Q198-N200 PolarHBondContact O-N 3.15Å; Q198-E201 WeakPolarHBondContact O-CB 3.33Å; Q198-E201 PolarHBondContact O-N 2.89Å; Q198-E201 VanDerWaalsContact O-N 3.15Å; Q198-I202 PolarHBondContact O-N 2.82Å
199	I	96.6	Very high	94.2	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-41.9	174.7	-63.3	169.9	0	0	0	110.7	I194 Q195 E196 E201 I202 N235 K238 A239 K242	I194-I199 HydrophobicContact CD1-CG1 3.72Å; I194-I199 HydrophobicContact CG1-CG1 3.87Å; I194-I199 HydrophobicContact CG2-CD1 4.26Å; I194-I199 HydrophobicContact CG2-CG1 4.14Å; Q195-I199 WeakPolarHBondContact O-CG1 3.38Å; Q195-I199 PolarHBondContact O-N 3.34Å; E196-I199 PolarHBondContact O-N 2.86Å; I199-E201 PolarHBondContact O-N 3.46Å; I199-I202 WeakPolarHBondContact O-CB 3.14Å; I199-I202 PolarHBondContact O-N 2.81Å; I199-N235 HydrophobicContact CD1-CB 3.86Å; I199-N235 WeakPolarHBondContact CD1-O 3.22Å; I199-K238 HydrophobicContact CD1-CB 4.04Å; I199-K238 HydrophobicContact CD1-CD 4.37Å; I199-K238 HydrophobicContact CG2-CB 4.3Å; I199-A239 HydrophobicContact CG1-CB 4.22Å; I199-K242 HydrophobicContact CG2-CG 4.02Å
200	N	95.8	Very high	94.1	Very high	105 Å²	105	45.2 Å²	45.2	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-66.9	-22.9	178.9	-67.8	-31.9	0	0	0	112.8	E196 N197 Q198	E196-N200 PolarHBondContact O-N 3.31Å; E196-N200 VanDerWaalsContact O-N 3.15Å; E196-N200 PolarHBondContact O-ND2 3.24Å; N197-N200 PolarHBondContact O-N 2.81Å; Q198-N200 VanDerWaalsContact C-N 3.29Å; Q198-N200 PolarHBondContact O-N 3.15Å
201	E	97.3	Very high	94.2	Very high	28 Å²	28	45.3 Å²	45.3	13%	0.131	22%	0.222	C	C	.	.	H	α-helix	trans	-81	-21.6	177.6	-67.4	178.1	173	0	0	113.6	S163 A164 I165 N197 Q198 I199 E203 Q204 L205	S163-E201 WeakPolarHBondContact CB-OE1 3.11Å; S163-E201 VanDerWaalsContact OG-CD 3.32Å; S163-E201 PolarHBondContact OG-OE1 2.9Å; S163-E201 PolarHBondContact OG-OE2 2.92Å; A164-E201 WeakPolarHBondContact CB-OE2 3.23Å; A164-E201 PolarHBondContact N-OE2 3.13Å; I165-E201 HydrophobicContact CD1-CB 3.87Å; I165-E201 HydrophobicContact CD1-CG 3.68Å; I165-E201 HydrophobicContact CG1-CB 4.11Å; I165-E201 HydrophobicContact CG1-CG 4.15Å; I165-E201 PolarHBondContact N-OE2 3.32Å; N197-E201 WeakPolarHBondContact O-CG 3.25Å; N197-E201 PolarHBondContact O-N 3.34Å; Q198-E201 WeakPolarHBondContact O-CB 3.33Å; Q198-E201 PolarHBondContact O-N 2.89Å; Q198-E201 VanDerWaalsContact O-N 3.15Å; I199-E201 PolarHBondContact O-N 3.46Å; E201-E203 VanDerWaalsContact C-N 3.28Å; E201-E203 PolarHBondContact O-N 2.95Å; E201-Q204 PolarHBondContact O-N 3.49Å; E201-L205 HydrophobicContact CB-CD1 4.06Å; E201-L205 HydrophobicContact CB-CG 4.43Å; E201-L205 WeakPolarHBondContact O-CB 3.14Å; E201-L205 WeakPolarHBondContact O-CG 2.99Å; E201-L205 PolarHBondContact O-N 3.47Å
202	I	97.1	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-51.8	-45.7	-175.8	-70.1	174.9	0	0	0	111.9	I194 Q198 I199 Q204 L205 T206 F214 A239 K242 T246	I194-I202 HydrophobicContact CD1-CD1 4.01Å; Q198-I202 PolarHBondContact O-N 2.82Å; I199-I202 WeakPolarHBondContact O-CB 3.14Å; I199-I202 PolarHBondContact O-N 2.81Å; I202-Q204 VanDerWaalsContact C-N 3.33Å; I202-Q204 PolarHBondContact O-N 3.35Å; I202-L205 PolarHBondContact O-N 2.93Å; I202-T206 HydrophobicContact CG2-CG2 4.47Å; I202-T206 VanDerWaalsContact O-CG2 3.29Å; I202-T206 WeakPolarHBondContact O-CG2 3.49Å; I202-T206 PolarHBondContact O-N 3.48Å; I202-T206 PolarHBondContact O-OG1 3.46Å; I202-F214 HydrophobicContact CB-CZ 4.35Å; I202-F214 HydrophobicContact CG1-CE1 4.41Å; I202-F214 HydrophobicContact CG1-CZ 4.4Å; I202-F214 HydrophobicContact CG2-CD2 4.4Å; I202-F214 HydrophobicContact CG2-CE2 3.72Å; I202-F214 HydrophobicContact CG2-CZ 3.86Å; I202-A239 HydrophobicContact CD1-CB 4.2Å; I202-K242 HydrophobicContact CB-CB 4.38Å; I202-K242 HydrophobicContact CD1-CB 4.13Å; I202-K242 HydrophobicContact CG2-CB 4.05Å; I202-T246 HydrophobicContact CG2-CG2 4.43Å
203	E	97.2	Very high	95.3	Very high	73 Å²	73	40.1 Å²	40.1	34%	0.341	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-38.4	-179.3	-175.7	171.2	173.9	0	0	112.2	E201 T206 K207 K242 T246	E201-E203 VanDerWaalsContact C-N 3.28Å; E201-E203 PolarHBondContact O-N 2.95Å; E203-T206 PolarHBondContact O-OG1 2.82Å; E203-K207 HydrophobicContact CG-CD 3.99Å; E203-K207 WeakPolarHBondContact O-CB 3.49Å; E203-K207 WeakPolarHBondContact O-CG 3.29Å; E203-K207 PolarHBondContact O-N 2.96Å; E203-K207 IonicContact OE1-NZ 2.72Å; E203-K207 PolarHBondContact OE1-NZ 2.88Å; E203-K242 IonicContact OE2-NZ 2.8Å; E203-K242 PolarHBondContact OE2-NZ 2.92Å; E203-T246 HydrophobicContact CB-CG2 4.22Å; E203-T246 HydrophobicContact CG-CG2 4.35Å
204	Q	97	Very high	95.9	Very high	77 Å²	77	39.8 Å²	39.8	36%	0.36	19%	0.194	S	C	.	.	H	α-helix	trans	-71.5	-42.5	177.2	-168	178.1	-16.9	0	0	111.3	I165 E201 I202 T206 K207 Q208 Y209	I165-Q204 HydrophobicContact CD1-CB 4.06Å; I165-Q204 VanDerWaalsContact CD1-CD 3.47Å; I165-Q204 HydrophobicContact CD1-CG 4.04Å; E201-Q204 PolarHBondContact O-N 3.49Å; I202-Q204 VanDerWaalsContact C-N 3.33Å; I202-Q204 PolarHBondContact O-N 3.35Å; Q204-T206 VanDerWaalsContact C-N 3.31Å; Q204-T206 PolarHBondContact O-N 3.41Å; Q204-K207 PolarHBondContact O-N 3.02Å; Q204-Q208 HydrophobicContact CG-CB 4.36Å; Q204-Q208 VanDerWaalsContact CG-CD 3.49Å; Q204-Q208 HydrophobicContact CG-CG 4.14Å; Q204-Q208 WeakPolarHBondContact O-CB 3.47Å; Q204-Q208 PolarHBondContact O-N 3Å; Q204-Y209 HydrophobicContact CG-CE2 4.17Å; Q204-Y209 PolarHBondContact O-N 3.3Å
205	L	97.5	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-42.8	175.4	-72.7	166.8	0	0	0	111.8	A164 I165 V168 E201 I202 Y209 G210 I211 F214	A164-L205 HydrophobicContact CB-CD1 3.78Å; I165-L205 HydrophobicContact CB-CD2 4.48Å; I165-L205 HydrophobicContact CG1-CD2 3.7Å; I165-L205 HydrophobicContact CG1-CG 3.9Å; V168-L205 HydrophobicContact CG2-CD2 3.85Å; E201-L205 HydrophobicContact CB-CD1 4.06Å; E201-L205 HydrophobicContact CB-CG 4.43Å; E201-L205 WeakPolarHBondContact O-CB 3.14Å; E201-L205 WeakPolarHBondContact O-CG 2.99Å; E201-L205 PolarHBondContact O-N 3.47Å; I202-L205 PolarHBondContact O-N 2.93Å; L205-Y209 HydrophobicContact CD2-CD2 4.36Å; L205-Y209 CarbonylContact O-C 3.54Å; L205-Y209 VanDerWaalsContact O-C 3.28Å; L205-Y209 WeakPolarHBondContact O-CA 3.32Å; L205-Y209 WeakPolarHBondContact O-CB 3.32Å; L205-Y209 PolarHBondContact O-N 3.28Å; L205-G210 PolarHBondContact O-N 3.03Å; L205-G210 VanDerWaalsContact O-N 3.1Å; L205-I211 HydrophobicContact CB-CB 4.25Å; L205-I211 HydrophobicContact CB-CG1 4.24Å; L205-I211 HydrophobicContact CD2-CG1 4.36Å; L205-I211 PolarHBondContact O-N 2.69Å; L205-F214 HydrophobicContact CB-CE1 4.19Å; L205-F214 HydrophobicContact CB-CZ 4.04Å; L205-F214 HydrophobicContact CD1-CE1 3.93Å
206	T	97.1	Very high	96.2	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-53.2	176.6	57.9	0	0	0	0	112.6	I202 E203 Q204 G210 I211 F214 T246 L489	I202-T206 HydrophobicContact CG2-CG2 4.47Å; I202-T206 VanDerWaalsContact O-CG2 3.29Å; I202-T206 WeakPolarHBondContact O-CG2 3.49Å; I202-T206 PolarHBondContact O-N 3.48Å; I202-T206 PolarHBondContact O-OG1 3.46Å; E203-T206 PolarHBondContact O-OG1 2.82Å; Q204-T206 VanDerWaalsContact C-N 3.31Å; Q204-T206 PolarHBondContact O-N 3.41Å; T206-G210 WeakPolarHBondContact O-CA 3.39Å; T206-G210 PolarHBondContact O-N 2.73Å; T206-I211 VanDerWaalsContact CA-O 3.31Å; T206-I211 WeakPolarHBondContact CA-O 3.27Å; T206-I211 VanDerWaalsContact CG2-O 3.27Å; T206-I211 WeakPolarHBondContact CG2-O 3.23Å; T206-F214 HydrophobicContact CG2-CE2 3.66Å; T206-F214 HydrophobicContact CG2-CZ 3.86Å; T206-T246 HydrophobicContact CG2-CG2 4.27Å; T206-L489 HydrophobicContact CG2-CD2 4.35Å
207	K	95.4	Very high	96.2	Very high	141 Å²	141	34.3 Å²	34.3	61%	0.613	17%	0.168	S	C	*	.	H	α-helix	trans	-76.2	-38.9	-171.1	-69.2	179	178.3	176	0	114.2	E203 Q204	E203-K207 HydrophobicContact CG-CD 3.99Å; E203-K207 WeakPolarHBondContact O-CB 3.49Å; E203-K207 WeakPolarHBondContact O-CG 3.29Å; E203-K207 PolarHBondContact O-N 2.96Å; E203-K207 IonicContact OE1-NZ 2.72Å; E203-K207 PolarHBondContact OE1-NZ 2.88Å; Q204-K207 PolarHBondContact O-N 3.02Å
208	Q	95.5	Very high	96.2	Very high	128 Å²	128	31.1 Å²	31.1	60%	0.598	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-35.6	-174.3	-62.5	-179.1	0.8	0	0	112.3	Q204	Q204-Q208 HydrophobicContact CG-CB 4.36Å; Q204-Q208 VanDerWaalsContact CG-CD 3.49Å; Q204-Q208 HydrophobicContact CG-CG 4.14Å; Q204-Q208 WeakPolarHBondContact O-CB 3.47Å; Q204-Q208 PolarHBondContact O-N 3Å
209	Y	95	Very high	95.9	Very high	41 Å²	41	31.7 Å²	31.7	16%	0.161	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.2	-177.2	-59.2	-88.9	0	0	0	113.3	I165 V168 I169 R172 Q204 L205 I211	I165-Y209 HydrophobicContact CG1-CE2 4.27Å; I165-Y209 HydrophobicContact CG2-CE1 4.44Å; I165-Y209 HydrophobicContact CG2-CE2 3.71Å; I165-Y209 WeakPolarHBondContact CG2-OH 3.31Å; V168-Y209 HydrophobicContact CG1-CD1 3.7Å; V168-Y209 HydrophobicContact CG1-CG 4.11Å; I169-Y209 HydrophobicContact CD1-CE1 4.29Å; I169-Y209 HydrophobicContact CG1-CE1 3.7Å; R172-Y209 VanDerWaalsContact CZ-O 3.3Å; R172-Y209 PolarHBondContact NH1-O 3.49Å; R172-Y209 PolarHBondContact NH2-O 2.95Å; Q204-Y209 HydrophobicContact CG-CE2 4.17Å; Q204-Y209 PolarHBondContact O-N 3.3Å; L205-Y209 HydrophobicContact CD2-CD2 4.36Å; L205-Y209 CarbonylContact O-C 3.54Å; L205-Y209 VanDerWaalsContact O-C 3.28Å; L205-Y209 WeakPolarHBondContact O-CA 3.32Å; L205-Y209 WeakPolarHBondContact O-CB 3.32Å; L205-Y209 PolarHBondContact O-N 3.28Å; Y209-I211 PolarHBondContact O-N 2.91Å
210	G	94.6	Very high	95.5	Very high	18 Å²	18	31.6 Å²	31.6	19%	0.186	15%	0.154	C	C	.	.			trans	65.4	21	175.1	0	0	0	0	0	114.2	L205 T206 N212	L205-G210 PolarHBondContact O-N 3.03Å; L205-G210 VanDerWaalsContact O-N 3.1Å; T206-G210 WeakPolarHBondContact O-CA 3.39Å; T206-G210 PolarHBondContact O-N 2.73Å; G210-N212 PolarHBondContact O-N 3.5Å
211	I	97.2	Very high	95	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	15%	0.147	C	C	.	.			trans	-73.6	115.8	173.1	-56.7	-58.1	0	0	0	107.9	V168 I186 I188 L205 T206 Y209 S213 F214	V168-I211 HydrophobicContact CG2-CD1 4.31Å; V168-I211 HydrophobicContact CG2-CG1 4.44Å; I186-I211 HydrophobicContact CB-CD1 4.21Å; I186-I211 HydrophobicContact CG2-CD1 3.9Å; I188-I211 HydrophobicContact CG1-CD1 4.49Å; I188-I211 HydrophobicContact CG1-CG1 4.43Å; I188-I211 HydrophobicContact CG1-CG2 4.28Å; L205-I211 HydrophobicContact CB-CB 4.25Å; L205-I211 HydrophobicContact CB-CG1 4.24Å; L205-I211 HydrophobicContact CD2-CG1 4.36Å; L205-I211 PolarHBondContact O-N 2.69Å; T206-I211 VanDerWaalsContact CA-O 3.31Å; T206-I211 WeakPolarHBondContact CA-O 3.27Å; T206-I211 VanDerWaalsContact CG2-O 3.27Å; T206-I211 WeakPolarHBondContact CG2-O 3.23Å; Y209-I211 PolarHBondContact O-N 2.91Å; I211-S213 VanDerWaalsContact CG2-O 3.28Å; I211-S213 WeakPolarHBondContact CG2-O 3.45Å; I211-F214 HydrophobicContact CB-CZ 4.3Å; I211-F214 HydrophobicContact CG2-CD1 4.26Å; I211-F214 HydrophobicContact CG2-CE1 3.7Å; I211-F214 HydrophobicContact CG2-CE2 4.38Å; I211-F214 HydrophobicContact CG2-CZ 3.77Å
212	N	95.7	Very high	94.4	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.032	16%	0.155	C	C	.	.			trans	-103.2	-5	-175.6	68.8	-10.1	0	0	0	113.7	G210 S248 I249 L407 G487 L489	G210-N212 PolarHBondContact O-N 3.5Å; N212-S248 CarbonylContact O-C 3.48Å; N212-S248 WeakPolarHBondContact O-CA 2.88Å; N212-S248 VanDerWaalsContact O-CB 3.26Å; N212-S248 WeakPolarHBondContact O-CB 3.29Å; N212-I249 PolarHBondContact O-N 3.49Å; N212-L407 PolarHBondContact ND2-O 3.25Å; N212-G487 WeakPolarHBondContact ND2-CA 3.42Å; N212-L489 HydrophobicContact CB-CD2 4.04Å
213	S	97.1	Very high	93.9	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.8	179.6	60.3	0	0	0	0	111.9	R187 I211 I249	R187-S213 WeakPolarHBondContact CG-O 3.44Å; R187-S213 PolarHBondContact NE-OG 2.96Å; I211-S213 VanDerWaalsContact CG2-O 3.28Å; I211-S213 WeakPolarHBondContact CG2-O 3.45Å; S213-I249 CarbonylContact C-O 3.58Å; S213-I249 WeakPolarHBondContact CA-O 3.28Å; S213-I249 WeakPolarHBondContact CB-O 3.4Å
214	F	97.9	Very high	93.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.1	-179.5	-61.5	-83	0	0	0	110	I188 F190 I202 L205 T206 I211 F216 S248 I249 L251	I188-F214 HydrophobicContact CB-CD1 4.08Å; I188-F214 HydrophobicContact CB-CE1 4.35Å; I188-F214 CarbonylContact O-C 3.34Å; I188-F214 VanDerWaalsContact O-CA 3.3Å; I188-F214 WeakPolarHBondContact O-CA 3.44Å; F190-F214 HydrophobicContact CE2-CB 4.31Å; F190-F214 AromaticContact CE2-CD1 3.78Å; F190-F214 HydrophobicContact CE2-CD1 3.78Å; F190-F214 HydrophobicContact CE2-CG 4.4Å; F190-F214 HydrophobicContact CZ-CD1 4.22Å; I202-F214 HydrophobicContact CB-CZ 4.35Å; I202-F214 HydrophobicContact CG1-CE1 4.41Å; I202-F214 HydrophobicContact CG1-CZ 4.4Å; I202-F214 HydrophobicContact CG2-CD2 4.4Å; I202-F214 HydrophobicContact CG2-CE2 3.72Å; I202-F214 HydrophobicContact CG2-CZ 3.86Å; L205-F214 HydrophobicContact CB-CE1 4.19Å; L205-F214 HydrophobicContact CB-CZ 4.04Å; L205-F214 HydrophobicContact CD1-CE1 3.93Å; T206-F214 HydrophobicContact CG2-CE2 3.66Å; T206-F214 HydrophobicContact CG2-CZ 3.86Å; I211-F214 HydrophobicContact CB-CZ 4.3Å; I211-F214 HydrophobicContact CG2-CD1 4.26Å; I211-F214 HydrophobicContact CG2-CE1 3.7Å; I211-F214 HydrophobicContact CG2-CE2 4.38Å; I211-F214 HydrophobicContact CG2-CZ 3.77Å; F214-F216 HydrophobicContact CB-CE2 4.13Å; F214-F216 HydrophobicContact CB-CZ 4.11Å; F214-S248 WeakPolarHBondContact CE2-OG 3.02Å; F214-I249 PolarHBondContact N-O 2.9Å; F214-L251 PolarHBondContact O-N 2.91Å
215	L	97.2	Very high	92.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.6	174.8	177.2	69.2	0	0	0	110.2	Y124 T155 I188 G189 F190 I217 L251 K253 T296	Y124-L215 HydrophobicContact CE1-CD2 3.86Å; Y124-L215 WeakPolarHBondContact OH-CD2 3.21Å; T155-L215 HydrophobicContact CG2-CB 4.13Å; T155-L215 HydrophobicContact CG2-CD2 3.83Å; I188-L215 PolarHBondContact O-N 3.32Å; G189-L215 CarbonylContact C-O 3.58Å; G189-L215 WeakPolarHBondContact CA-O 3.45Å; F190-L215 PolarHBondContact N-O 2.79Å; L215-I217 HydrophobicContact CD2-CD1 4.11Å; L215-I217 HydrophobicContact CD2-CG1 3.82Å; L215-I217 HydrophobicContact CG-CG1 4Å; L215-L251 CarbonylContact C-O 3.53Å; L215-L251 HydrophobicContact CB-CB 4.45Å; L215-L251 HydrophobicContact CD1-CB 3.64Å; L215-K253 HydrophobicContact CD1-CB 3.86Å; L215-T296 HydrophobicContact CD1-CG2 3.87Å
216	F	96.5	Very high	91.7	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.4	171.7	-56.9	-79.9	0	0	0	108.7	F190 I194 F214 I218 L236 A239 L240 A250 L251 I252 K253	F190-F216 HydrophobicContact CD2-CD1 4.05Å; F190-F216 AromaticContact CD2-CE1 3.86Å; F190-F216 HydrophobicContact CD2-CE1 3.86Å; F190-F216 HydrophobicContact CE2-CE1 4.3Å; I194-F216 HydrophobicContact CB-CD1 4.43Å; I194-F216 HydrophobicContact CB-CE1 4.37Å; I194-F216 HydrophobicContact CD1-CE1 3.83Å; I194-F216 HydrophobicContact CG2-CD1 4.38Å; I194-F216 HydrophobicContact CG2-CE1 4.25Å; F214-F216 HydrophobicContact CB-CE2 4.13Å; F214-F216 HydrophobicContact CB-CZ 4.11Å; F216-I218 HydrophobicContact CB-CD1 4.23Å; F216-L236 HydrophobicContact CB-CD1 4.13Å; F216-L236 HydrophobicContact CD1-CD1 4.18Å; F216-L236 HydrophobicContact CG-CD1 4.02Å; F216-A239 HydrophobicContact CE1-CB 3.55Å; F216-A239 HydrophobicContact CZ-CB 3.73Å; F216-L240 HydrophobicContact CD2-CD2 4.3Å; F216-L240 HydrophobicContact CE2-CD2 4.09Å; F216-A250 HydrophobicContact CD2-CB 4.32Å; F216-A250 HydrophobicContact CE2-CB 3.84Å; F216-L251 WeakPolarHBondContact CD2-O 3.4Å; F216-L251 PolarHBondContact N-O 2.81Å; F216-I252 WeakPolarHBondContact O-CA 3.43Å; F216-K253 PolarHBondContact O-N 3.24Å
217	I	93.9	Very high	91	Very high	12 Å²	12	40 Å²	40	6%	0.062	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.9	176.8	-57.1	174.5	0	0	0	107.7	V157 F190 I191 L215 K253 D255	V157-I217 HydrophobicContact CG1-CD1 4.27Å; V157-I217 HydrophobicContact CG2-CD1 4.16Å; F190-I217 WeakPolarHBondContact O-CB 3.42Å; F190-I217 PolarHBondContact O-N 3.34Å; I191-I217 HydrophobicContact CB-CD1 4.4Å; I191-I217 HydrophobicContact CG1-CB 4.33Å; I191-I217 HydrophobicContact CG1-CD1 4.47Å; I191-I217 HydrophobicContact CG1-CG2 4.17Å; L215-I217 HydrophobicContact CD2-CD1 4.11Å; L215-I217 HydrophobicContact CD2-CG1 3.82Å; L215-I217 HydrophobicContact CG-CG1 4Å; I217-K253 CarbonylContact C-O 3.07Å; I217-K253 VanDerWaalsContact CA-O 3.31Å; I217-K253 WeakPolarHBondContact CA-O 3.29Å; I217-D255 HydrophobicContact CG2-CB 3.76Å
218	I	92.6	Very high	89.9	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.2	-172.5	-56.9	-58.4	0	0	0	110.1	F216 P220 M223 Y232 L236 I252 K253 F254 D255	F216-I218 HydrophobicContact CB-CD1 4.23Å; I218-P220 VanDerWaalsContact O-CD 3.32Å; I218-P220 WeakPolarHBondContact O-CD 3.25Å; I218-M223 HydrophobicContact CG2-CB 3.95Å; I218-M223 HydrophobicContact CG2-CG 4.13Å; I218-M223 HydrophobicContact CG2-SD 4.41Å; I218-Y232 WeakPolarHBondContact CA-OH 3.49Å; I218-Y232 HydrophobicContact CD1-CE1 4.27Å; I218-Y232 HydrophobicContact CG2-CE1 4.28Å; I218-L236 HydrophobicContact CD1-CD1 4.11Å; I218-L236 HydrophobicContact CD1-CD2 3.86Å; I218-I252 HydrophobicContact CG1-CG2 3.89Å; I218-K253 PolarHBondContact N-O 3.23Å; I218-F254 HydrophobicContact CB-CD1 3.86Å; I218-F254 HydrophobicContact CB-CE1 3.94Å; I218-F254 HydrophobicContact CG2-CD1 4.01Å; I218-F254 HydrophobicContact CG2-CE1 3.89Å; I218-F254 CarbonylContact O-C 3.28Å; I218-F254 WeakPolarHBondContact O-CA 3.11Å; I218-D255 PolarHBondContact O-N 3.45Å
219	D	89.8	Confident	88.9	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.07	21%	0.212	C	C	.	.			trans	-86	112	169.8	-177.4	-31.7	0	0	0	108.1	M221 E222 M223 Y232 K258	D219-M221 PolarHBondContact O-N 3.32Å; D219-M221 WeakPolarHBondContact OD1-CB 3.32Å; D219-M221 PolarHBondContact OD1-N 3.21Å; D219-E222 HydrophobicContact CB-CB 4Å; D219-E222 PolarHBondContact O-N 3.12Å; D219-E222 PolarHBondContact OD1-N 3.49Å; D219-M223 WeakPolarHBondContact O-CB 3.25Å; D219-M223 PolarHBondContact O-N 3.28Å; D219-Y232 PolarHBondContact N-OH 2.81Å; D219-K258 WeakPolarHBondContact OD2-CD 3.18Å; D219-K258 IonicContact OD2-NZ 2.87Å; D219-K258 PolarHBondContact OD2-NZ 3.33Å
220	P	87.7	Confident	88.6	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-30.1	-178.1	-24	34.7	0	0	0	113.3	I218 D224 F254 D255 L256 L274 S278	I218-P220 VanDerWaalsContact O-CD 3.32Å; I218-P220 WeakPolarHBondContact O-CD 3.25Å; P220-D224 WeakPolarHBondContact O-CB 3.33Å; P220-D224 PolarHBondContact O-N 3.3Å; P220-F254 HydrophobicContact CG-CB 4.03Å; P220-F254 HydrophobicContact CG-CD1 3.94Å; P220-F254 HydrophobicContact CG-CG 4.36Å; P220-D255 WeakPolarHBondContact CD-O 2.94Å; P220-L256 HydrophobicContact CG-CD2 3.97Å; P220-L274 HydrophobicContact CB-CD2 3.71Å; P220-L274 HydrophobicContact CB-CG 3.64Å; P220-S278 WeakPolarHBondContact CA-OG 3Å; P220-S278 WeakPolarHBondContact CB-OG 3.41Å; P220-S278 PolarHBondContact O-OG 3.38Å
221	M	85.7	Confident	88.4	Confident	83 Å²	83	45.2 Å²	45.2	41%	0.409	23%	0.231	S	C	.	.	H	α-helix	trans	-72.3	-41.2	179.8	-61.1	-174.8	82.1	0	0	111.4	D219 K225 L274	D219-M221 PolarHBondContact O-N 3.32Å; D219-M221 WeakPolarHBondContact OD1-CB 3.32Å; D219-M221 PolarHBondContact OD1-N 3.21Å; M221-K225 VanDerWaalsContact O-CG 3.26Å; M221-K225 WeakPolarHBondContact O-CG 3.3Å; M221-K225 PolarHBondContact O-N 3.43Å; M221-L274 HydrophobicContact CB-CD2 4.35Å; M221-L274 HydrophobicContact CG-CD2 3.58Å
222	E	85.8	Confident	88.1	Confident	64 Å²	64	46 Å²	46	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-67.3	-41.5	175.1	-168.4	170.7	-173.8	0	0	110.5	D219 D224 K225 T226 Y232	D219-E222 HydrophobicContact CB-CB 4Å; D219-E222 PolarHBondContact O-N 3.12Å; D219-E222 PolarHBondContact OD1-N 3.49Å; E222-D224 VanDerWaalsContact C-N 3.31Å; E222-D224 PolarHBondContact O-N 3.08Å; E222-K225 PolarHBondContact O-N 2.65Å; E222-T226 HydrophobicContact CG-CG2 4.43Å; E222-T226 WeakPolarHBondContact O-CB 3.32Å; E222-T226 WeakPolarHBondContact O-CG2 3.31Å; E222-T226 PolarHBondContact O-N 3.16Å; E222-T226 PolarHBondContact O-OG1 3.45Å; E222-Y232 HydrophobicContact CB-CE2 4.5Å; E222-Y232 VanDerWaalsContact CD-CE2 3.41Å; E222-Y232 HydrophobicContact CG-CD2 3.86Å; E222-Y232 HydrophobicContact CG-CE2 4.03Å; E222-Y232 HydrophobicContact CG-CG 4.22Å; E222-Y232 VanDerWaalsContact OE1-CD2 3.23Å; E222-Y232 WeakPolarHBondContact OE1-CD2 3.13Å; E222-Y232 VanDerWaalsContact OE2-CE2 3.27Å; E222-Y232 WeakPolarHBondContact OE2-CE2 3.2Å
223	M	85.9	Confident	87.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-34	177.9	-161.8	63.4	-178.2	0	0	112.6	I218 D219 T226 Y232 I233 L236 K281 L285	I218-M223 HydrophobicContact CG2-CB 3.95Å; I218-M223 HydrophobicContact CG2-CG 4.13Å; I218-M223 HydrophobicContact CG2-SD 4.41Å; D219-M223 WeakPolarHBondContact O-CB 3.25Å; D219-M223 PolarHBondContact O-N 3.28Å; M223-T226 PolarHBondContact O-OG1 3.1Å; M223-T226 VanDerWaalsContact O-OG1 3.06Å; M223-Y232 HydrophobicContact SD-CD1 3.77Å; M223-Y232 HydrophobicContact SD-CE1 3.66Å; M223-I233 HydrophobicContact CE-CD1 4.16Å; M223-I233 HydrophobicContact CE-CG1 3.86Å; M223-I233 HydrophobicContact SD-CD1 4.43Å; M223-I233 HydrophobicContact SD-CG1 3.94Å; M223-L236 HydrophobicContact CE-CD2 4.15Å; M223-K281 HydrophobicContact CE-CB 3.82Å; M223-K281 HydrophobicContact CE-CD 4.41Å; M223-K281 HydrophobicContact CG-CD 4.25Å; M223-K281 PolarHBondContact O-NZ 2.78Å; M223-L285 HydrophobicContact CE-CD1 3.66Å
224	D	83.7	Confident	87.8	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-73.8	-44.7	178	-168.3	47	0	0	0	112.8	P220 E222 T226 L274 R277 K281	P220-D224 WeakPolarHBondContact O-CB 3.33Å; P220-D224 PolarHBondContact O-N 3.3Å; E222-D224 VanDerWaalsContact C-N 3.31Å; E222-D224 PolarHBondContact O-N 3.08Å; D224-T226 VanDerWaalsContact C-N 3.26Å; D224-T226 PolarHBondContact O-N 3.05Å; D224-L274 HydrophobicContact CB-CD1 3.34Å; D224-R277 IonicContact OD1-CZ 2.85Å; D224-R277 IonicContact OD1-NH1 3.65Å; D224-R277 PolarHBondContact OD1-NH1 2.57Å; D224-R277 IonicContact OD2-CZ 2.92Å; D224-R277 IonicContact OD2-NH1 3.55Å; D224-R277 PolarHBondContact OD2-NH1 2.74Å; D224-R277 IonicContact OD2-NH2 3.51Å; D224-K281 PolarHBondContact O-NZ 3.34Å; D224-K281 VanDerWaalsContact O-NZ 3.08Å
225	K	83.5	Confident	87.7	Confident	164 Å²	164	48.6 Å²	48.6	71%	0.713	25%	0.249	S	C	*	.	H	α-helix	trans	-68.1	-22.7	-178.1	-71.8	172.1	-175.3	174.6	0	114	M221 E222	M221-K225 VanDerWaalsContact O-CG 3.26Å; M221-K225 WeakPolarHBondContact O-CG 3.3Å; M221-K225 PolarHBondContact O-N 3.43Å; E222-K225 PolarHBondContact O-N 2.65Å
226	T	78.3	Confident	87.6	Confident	27 Å²	27	48.8 Å²	48.8	17%	0.166	25%	0.25	C	S	.	.			trans	-81.2	132.6	-171.4	40.6	0	0	0	0	112.4	E222 M223 D224 S230	E222-T226 HydrophobicContact CG-CG2 4.43Å; E222-T226 WeakPolarHBondContact O-CB 3.32Å; E222-T226 WeakPolarHBondContact O-CG2 3.31Å; E222-T226 PolarHBondContact O-N 3.16Å; E222-T226 PolarHBondContact O-OG1 3.45Å; M223-T226 PolarHBondContact O-OG1 3.1Å; M223-T226 VanDerWaalsContact O-OG1 3.06Å; D224-T226 VanDerWaalsContact C-N 3.26Å; D224-T226 PolarHBondContact O-N 3.05Å; T226-S230 VanDerWaalsContact CB-OG 3.23Å; T226-S230 WeakPolarHBondContact CB-OG 3.42Å
227	S	81.2	Confident	87.5	Confident	77 Å²	77	51.2 Å²	51.2	54%	0.538	26%	0.263	S	S	.	.			trans	-66.1	159.5	165.9	65.9	0	0	0	0	109.9	D229 S230 I233	S227-D229 PolarHBondContact O-N 2.79Å; S227-D229 VanDerWaalsContact O-N 3.07Å; S227-S230 WeakPolarHBondContact O-CB 3.47Å; S227-S230 PolarHBondContact O-N 3.08Å; S227-S230 PolarHBondContact O-OG 3.46Å; S227-I233 WeakPolarHBondContact O-CD1 3.22Å
228	K	74.2	Confident	87.7	Confident	154 Å²	154	54.5 Å²	54.5	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29	177.5	-69.7	-175.4	177.5	-177.7	0	113	S230 I233	K228-S230 VanDerWaalsContact C-N 3.35Å; K228-I233 WeakPolarHBondContact O-CG2 3.28Å
229	D	73.3	Confident	87.9	Confident	146 Å²	146	54.3 Å²	54.3	78%	0.781	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	8.7	-179.9	-52.4	-40.6	0	0	0	113.2	S227	S227-D229 PolarHBondContact O-N 2.79Å; S227-D229 VanDerWaalsContact O-N 3.07Å
230	S	88.7	Confident	88.2	Confident	17 Å²	17	53.7 Å²	53.7	12%	0.119	27%	0.273	C	S	.	.	S	Bend	trans	-62.2	150.1	174.3	69.3	0	0	0	0	111.2	T226 S227 K228 Y232 I233 T234	T226-S230 VanDerWaalsContact CB-OG 3.23Å; T226-S230 WeakPolarHBondContact CB-OG 3.42Å; S227-S230 WeakPolarHBondContact O-CB 3.47Å; S227-S230 PolarHBondContact O-N 3.08Å; S227-S230 PolarHBondContact O-OG 3.46Å; K228-S230 VanDerWaalsContact C-N 3.35Å; S230-Y232 PolarHBondContact O-N 3.31Å; S230-I233 PolarHBondContact O-N 2.8Å; S230-I233 WeakPolarHBondContact OG-CB 3.32Å; S230-I233 WeakPolarHBondContact OG-CG1 3.46Å; S230-I233 PolarHBondContact OG-N 3.19Å; S230-I233 VanDerWaalsContact OG-N 3.15Å; S230-T234 WeakPolarHBondContact O-CB 3.47Å; S230-T234 PolarHBondContact O-N 2.8Å; S230-T234 PolarHBondContact O-OG1 3.37Å
231	L	90.6	Very high	88.7	Confident	120 Å²	120	56.2 Å²	56.2	63%	0.628	29%	0.286	S	S	*	.	H	α-helix	trans	-58	-36.9	174	-175.4	63.3	0	0	0	111.5	T234 N235	L231-T234 PolarHBondContact O-N 3.15Å; L231-N235 WeakPolarHBondContact CD1-OD1 3.46Å; L231-N235 VanDerWaalsContact O-CB 3.23Å; L231-N235 WeakPolarHBondContact O-CB 3.3Å; L231-N235 PolarHBondContact O-N 2.97Å; L231-N235 PolarHBondContact O-OD1 3.04Å
232	Y	90.8	Very high	89.2	Confident	18 Å²	18	54.6 Å²	54.6	7%	0.071	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-53.7	178.7	-167.3	-88.1	0	0	0	112.2	G193 I218 D219 E222 M223 S230 N235 L236	G193-Y232 VanDerWaalsContact CA-CE2 3.41Å; I218-Y232 WeakPolarHBondContact CA-OH 3.49Å; I218-Y232 HydrophobicContact CD1-CE1 4.27Å; I218-Y232 HydrophobicContact CG2-CE1 4.28Å; D219-Y232 PolarHBondContact N-OH 2.81Å; E222-Y232 HydrophobicContact CB-CE2 4.5Å; E222-Y232 VanDerWaalsContact CD-CE2 3.41Å; E222-Y232 HydrophobicContact CG-CD2 3.86Å; E222-Y232 HydrophobicContact CG-CE2 4.03Å; E222-Y232 HydrophobicContact CG-CG 4.22Å; E222-Y232 VanDerWaalsContact OE1-CD2 3.23Å; E222-Y232 WeakPolarHBondContact OE1-CD2 3.13Å; E222-Y232 VanDerWaalsContact OE2-CE2 3.27Å; E222-Y232 WeakPolarHBondContact OE2-CE2 3.2Å; M223-Y232 HydrophobicContact SD-CD1 3.77Å; M223-Y232 HydrophobicContact SD-CE1 3.66Å; S230-Y232 PolarHBondContact O-N 3.31Å; Y232-N235 PolarHBondContact O-N 3.48Å; Y232-L236 PolarHBondContact O-N 3.39Å
233	I	92.4	Very high	89.8	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-40.7	179.5	-68.5	-175.1	0	0	0	110.9	M223 S227 K228 S230 L236 L237 L285	M223-I233 HydrophobicContact CE-CD1 4.16Å; M223-I233 HydrophobicContact CE-CG1 3.86Å; M223-I233 HydrophobicContact SD-CD1 4.43Å; M223-I233 HydrophobicContact SD-CG1 3.94Å; S227-I233 WeakPolarHBondContact O-CD1 3.22Å; K228-I233 WeakPolarHBondContact O-CG2 3.28Å; S230-I233 PolarHBondContact O-N 2.8Å; S230-I233 WeakPolarHBondContact OG-CB 3.32Å; S230-I233 WeakPolarHBondContact OG-CG1 3.46Å; S230-I233 PolarHBondContact OG-N 3.19Å; S230-I233 VanDerWaalsContact OG-N 3.15Å; I233-L236 PolarHBondContact O-N 3.07Å; I233-L237 WeakPolarHBondContact O-CB 3.4Å; I233-L237 PolarHBondContact O-N 3.46Å; I233-L285 HydrophobicContact CG2-CD1 3.99Å; I233-L285 HydrophobicContact CG2-CD2 3.72Å; I233-L285 HydrophobicContact CG2-CG 4.48Å
234	T	94.1	Very high	90.2	Very high	50 Å²	50	53.5 Å²	53.5	31%	0.307	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-44.8	178.5	-58	0	0	0	0	111.5	S230 L231 L237 K238	S230-T234 WeakPolarHBondContact O-CB 3.47Å; S230-T234 PolarHBondContact O-N 2.8Å; S230-T234 PolarHBondContact O-OG1 3.37Å; L231-T234 PolarHBondContact O-N 3.15Å; T234-L237 PolarHBondContact O-N 2.91Å; T234-K238 WeakPolarHBondContact O-CG 3.47Å; T234-K238 PolarHBondContact O-N 3.17Å
235	N	95.1	Very high	90.8	Very high	4 Å²	4	56 Å²	56	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-42.4	178.6	-76.6	6.8	0	0	0	111.8	I194 I199 L231 Y232 L237 K238 A239	I194-N235 HydrophobicContact CG2-CB 4.16Å; I194-N235 VanDerWaalsContact O-CB 3.29Å; I194-N235 WeakPolarHBondContact O-CB 3.46Å; I194-N235 PolarHBondContact O-ND2 3.16Å; I199-N235 HydrophobicContact CD1-CB 3.86Å; I199-N235 WeakPolarHBondContact CD1-O 3.22Å; L231-N235 WeakPolarHBondContact CD1-OD1 3.46Å; L231-N235 VanDerWaalsContact O-CB 3.23Å; L231-N235 WeakPolarHBondContact O-CB 3.3Å; L231-N235 PolarHBondContact O-N 2.97Å; L231-N235 PolarHBondContact O-OD1 3.04Å; Y232-N235 PolarHBondContact O-N 3.48Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-L237 PolarHBondContact O-N 3.33Å; N235-K238 PolarHBondContact O-N 3.38Å; N235-A239 WeakPolarHBondContact O-CB 3.31Å; N235-A239 PolarHBondContact O-N 2.98Å
236	L	95.5	Very high	91.4	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-59.7	-45.6	174.1	-178.9	60.2	0	0	0	111.1	F216 I218 M223 Y232 I233 K238 A239 L240 L285	F216-L236 HydrophobicContact CB-CD1 4.13Å; F216-L236 HydrophobicContact CD1-CD1 4.18Å; F216-L236 HydrophobicContact CG-CD1 4.02Å; I218-L236 HydrophobicContact CD1-CD1 4.11Å; I218-L236 HydrophobicContact CD1-CD2 3.86Å; M223-L236 HydrophobicContact CE-CD2 4.15Å; Y232-L236 PolarHBondContact O-N 3.39Å; I233-L236 PolarHBondContact O-N 3.07Å; L236-K238 PolarHBondContact O-N 2.84Å; L236-A239 PolarHBondContact O-N 2.94Å; L236-L240 HydrophobicContact CD1-CD1 4.46Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 4.3Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.05Å; L236-L285 HydrophobicContact CD2-CD1 3.92Å; L236-L285 HydrophobicContact CG-CD1 4.44Å
237	L	95.5	Very high	92.3	Very high	55 Å²	55	47.4 Å²	47.4	29%	0.288	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-46.7	177.7	-172.8	68.4	0	0	0	112.1	I233 T234 N235 A239 L240 D241 L285 I289	I233-L237 WeakPolarHBondContact O-CB 3.4Å; I233-L237 PolarHBondContact O-N 3.46Å; T234-L237 PolarHBondContact O-N 2.91Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-L237 PolarHBondContact O-N 3.33Å; L237-A239 VanDerWaalsContact C-N 3.34Å; L237-A239 PolarHBondContact O-N 3.03Å; L237-L240 PolarHBondContact O-N 3.05Å; L237-D241 PolarHBondContact O-N 3.26Å; L237-L285 HydrophobicContact CD1-CB 4.21Å; L237-L285 HydrophobicContact CD1-CD2 4.06Å; L237-I289 HydrophobicContact CD1-CD1 4.33Å; L237-I289 HydrophobicContact CD1-CG1 4.41Å; L237-I289 HydrophobicContact CD1-CG2 3.65Å; L237-I289 HydrophobicContact CG-CG2 4.28Å
238	K	96.8	Very high	93	Very high	81 Å²	81	43.8 Å²	43.8	35%	0.352	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-42	175.3	-75.4	178.9	179.9	-176.5	0	112.1	E196 I199 T234 N235 L236 D241 K242	E196-K238 IonicContact OE1-NZ 3.94Å; E196-K238 PolarHBondContact OE1-NZ 3.09Å; E196-K238 IonicContact OE2-NZ 3.98Å; E196-K238 PolarHBondContact OE2-NZ 3.11Å; I199-K238 HydrophobicContact CD1-CB 4.04Å; I199-K238 HydrophobicContact CD1-CD 4.37Å; I199-K238 HydrophobicContact CG2-CB 4.3Å; T234-K238 WeakPolarHBondContact O-CG 3.47Å; T234-K238 PolarHBondContact O-N 3.17Å; N235-K238 PolarHBondContact O-N 3.38Å; L236-K238 PolarHBondContact O-N 2.84Å; K238-D241 PolarHBondContact O-N 3.49Å; K238-K242 PolarHBondContact O-N 2.72Å
239	A	97.1	Very high	94	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-44.9	179.6	0	0	0	0	0	111.7	I194 I199 I202 F216 N235 L236 L237 D241 K242 C243	I194-A239 HydrophobicContact CD1-CB 3.97Å; I194-A239 HydrophobicContact CG2-CB 3.8Å; I199-A239 HydrophobicContact CG1-CB 4.22Å; I202-A239 HydrophobicContact CD1-CB 4.2Å; F216-A239 HydrophobicContact CE1-CB 3.55Å; F216-A239 HydrophobicContact CZ-CB 3.73Å; N235-A239 WeakPolarHBondContact O-CB 3.31Å; N235-A239 PolarHBondContact O-N 2.98Å; L236-A239 PolarHBondContact O-N 2.94Å; L237-A239 VanDerWaalsContact C-N 3.34Å; L237-A239 PolarHBondContact O-N 3.03Å; A239-D241 VanDerWaalsContact C-N 3.32Å; A239-D241 PolarHBondContact O-N 2.89Å; A239-K242 WeakPolarHBondContact O-CB 3.33Å; A239-K242 PolarHBondContact O-N 2.9Å; A239-C243 PolarHBondContact O-N 3.06Å; A239-C243 PolarHBondContact O-SG 2.85Å; A239-C243 VanDerWaalsContact O-SG 3.42Å
240	L	97.2	Very high	95.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-37.4	175.9	-64.8	175.8	0	0	0	111.8	F216 L236 L237 C243 K244 A250 L285 A286 I289 C291 I293	F216-L240 HydrophobicContact CD2-CD2 4.3Å; F216-L240 HydrophobicContact CE2-CD2 4.09Å; L236-L240 HydrophobicContact CD1-CD1 4.46Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 4.3Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.05Å; L237-L240 PolarHBondContact O-N 3.05Å; L240-C243 PolarHBondContact O-N 2.93Å; L240-K244 PolarHBondContact O-N 2.95Å; L240-A250 HydrophobicContact CD2-CB 3.51Å; L240-L285 HydrophobicContact CD1-CB 4.47Å; L240-A286 HydrophobicContact CD1-CB 4.45Å; L240-I289 HydrophobicContact CB-CD1 3.25Å; L240-I289 HydrophobicContact CD1-CD1 4.35Å; L240-I289 HydrophobicContact CG-CD1 4.44Å; L240-C291 HydrophobicContact CB-CB 4.17Å; L240-C291 PolarHBondContact O-SG 3.19Å; L240-I293 HydrophobicContact CD2-CG2 3.97Å
241	D	96.5	Very high	95.6	Very high	56 Å²	56	29.1 Å²	29.1	30%	0.299	14%	0.144	S	C	.	.	H	α-helix	trans	-63.9	-42	173.4	-176.7	41.6	0	0	0	111.4	L237 K238 A239 C243 K244 Q245 I289	L237-D241 PolarHBondContact O-N 3.26Å; K238-D241 PolarHBondContact O-N 3.49Å; A239-D241 VanDerWaalsContact C-N 3.32Å; A239-D241 PolarHBondContact O-N 2.89Å; D241-C243 PolarHBondContact O-N 3.1Å; D241-K244 WeakPolarHBondContact O-CB 3.21Å; D241-K244 PolarHBondContact O-N 3.44Å; D241-Q245 VanDerWaalsContact O-CG 3.3Å; D241-Q245 WeakPolarHBondContact O-CG 3.37Å; D241-Q245 PolarHBondContact O-N 2.99Å; D241-Q245 PolarHBondContact OD1-NE2 3.37Å; D241-Q245 PolarHBondContact OD2-NE2 2.89Å; D241-I289 HydrophobicContact CB-CD1 4.34Å
242	K	97.3	Very high	95.9	Very high	50 Å²	50	23.4 Å²	23.4	22%	0.217	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-39.8	172	-79.2	-65	-171.1	-178.9	0	112.9	I199 I202 E203 K238 A239 Q245 T246	I199-K242 HydrophobicContact CG2-CG 4.02Å; I202-K242 HydrophobicContact CB-CB 4.38Å; I202-K242 HydrophobicContact CD1-CB 4.13Å; I202-K242 HydrophobicContact CG2-CB 4.05Å; E203-K242 IonicContact OE2-NZ 2.8Å; E203-K242 PolarHBondContact OE2-NZ 2.92Å; K238-K242 PolarHBondContact O-N 2.72Å; A239-K242 WeakPolarHBondContact O-CB 3.33Å; A239-K242 PolarHBondContact O-N 2.9Å; K242-Q245 PolarHBondContact O-N 3.43Å; K242-T246 WeakPolarHBondContact O-CB 3.43Å; K242-T246 WeakPolarHBondContact O-CG2 3.21Å; K242-T246 PolarHBondContact O-N 3.48Å; K242-T246 PolarHBondContact O-OG1 2.82Å
243	C	97.1	Very high	96	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-45.9	173.5	-71.2	0	0	0	0	111.7	A239 L240 D241 Q245 T246 G247 S248 A250 Y495	A239-C243 PolarHBondContact O-N 3.06Å; A239-C243 PolarHBondContact O-SG 2.85Å; A239-C243 VanDerWaalsContact O-SG 3.42Å; L240-C243 PolarHBondContact O-N 2.93Å; D241-C243 PolarHBondContact O-N 3.1Å; C243-Q245 PolarHBondContact O-N 3.42Å; C243-T246 PolarHBondContact O-N 3.2Å; C243-T246 PolarHBondContact O-OG1 2.94Å; C243-G247 PolarHBondContact O-N 2.91Å; C243-S248 CarbonylContact C-O 3.58Å; C243-S248 WeakPolarHBondContact CA-OG 3.43Å; C243-S248 WeakPolarHBondContact CB-O 3.12Å; C243-S248 PolarHBondContact O-N 3.23Å; C243-A250 HydrophobicContact CB-CB 4.23Å; C243-Y495 PolarHBondContact O-OH 3.05Å
244	K	95.7	Very high	95.9	Very high	41 Å²	41	24.5 Å²	24.5	18%	0.178	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-46.4	175.6	-178.2	-166.9	178	-172.9	0	112	L240 D241 T246 G247 I289 N290 C291 E502	L240-K244 PolarHBondContact O-N 2.95Å; D241-K244 WeakPolarHBondContact O-CB 3.21Å; D241-K244 PolarHBondContact O-N 3.44Å; K244-T246 VanDerWaalsContact C-N 3.35Å; K244-T246 PolarHBondContact O-N 3.37Å; K244-G247 PolarHBondContact O-N 3.01Å; K244-I289 VanDerWaalsContact CD-O 3.25Å; K244-I289 WeakPolarHBondContact CD-O 3.47Å; K244-I289 WeakPolarHBondContact CE-O 3.48Å; K244-I289 PolarHBondContact NZ-O 3.14Å; K244-N290 WeakPolarHBondContact CD-O 3.49Å; K244-N290 WeakPolarHBondContact CE-O 3.45Å; K244-C291 HydrophobicContact CB-CB 4.28Å; K244-E502 IonicContact NZ-OE1 3.94Å; K244-E502 PolarHBondContact NZ-OE1 3.3Å
245	Q	95.9	Very high	95.5	Very high	102 Å²	102	23.1 Å²	23.1	48%	0.477	11%	0.11	S	C	.	.	H	α-helix	trans	-66.6	-33.9	-178.8	-71.8	171.6	20.7	0	0	113.4	D241 K242 C243 F490	D241-Q245 VanDerWaalsContact O-CG 3.3Å; D241-Q245 WeakPolarHBondContact O-CG 3.37Å; D241-Q245 PolarHBondContact O-N 2.99Å; D241-Q245 PolarHBondContact OD1-NE2 3.37Å; D241-Q245 PolarHBondContact OD2-NE2 2.89Å; K242-Q245 PolarHBondContact O-N 3.43Å; C243-Q245 PolarHBondContact O-N 3.42Å; Q245-F490 WeakPolarHBondContact O-CZ 3.25Å
246	T	96.8	Very high	94.7	Very high	10 Å²	10	25.6 Å²	25.6	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-88.3	-12.4	-179.1	54.4	0	0	0	0	113.4	I202 E203 T206 K242 C243 K244 S248 F490	I202-T246 HydrophobicContact CG2-CG2 4.43Å; E203-T246 HydrophobicContact CB-CG2 4.22Å; E203-T246 HydrophobicContact CG-CG2 4.35Å; T206-T246 HydrophobicContact CG2-CG2 4.27Å; K242-T246 WeakPolarHBondContact O-CB 3.43Å; K242-T246 WeakPolarHBondContact O-CG2 3.21Å; K242-T246 PolarHBondContact O-N 3.48Å; K242-T246 PolarHBondContact O-OG1 2.82Å; C243-T246 PolarHBondContact O-N 3.2Å; C243-T246 PolarHBondContact O-OG1 2.94Å; K244-T246 VanDerWaalsContact C-N 3.35Å; K244-T246 PolarHBondContact O-N 3.37Å; T246-S248 VanDerWaalsContact C-N 3.32Å; T246-S248 PolarHBondContact OG1-OG 3.44Å; T246-F490 VanDerWaalsContact C-CZ 3.41Å; T246-F490 VanDerWaalsContact O-CE2 3.26Å; T246-F490 WeakPolarHBondContact O-CE2 3.39Å
247	G	95.6	Very high	93.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	18	-176.6	0	0	0	0	0	113.7	C243 K244 F490 Y495	C243-G247 PolarHBondContact O-N 2.91Å; K244-G247 PolarHBondContact O-N 3.01Å; G247-F490 VanDerWaalsContact CA-CD1 3.41Å; G247-F490 VanDerWaalsContact CA-CZ 3.47Å; G247-F490 VanDerWaalsContact N-CZ 3.29Å; G247-F490 PolarHBondContact O-N 3.37Å; G247-Y495 VanDerWaalsContact CA-CZ 3.45Å; G247-Y495 WeakPolarHBondContact CA-OH 3.34Å; G247-Y495 WeakPolarHBondContact O-CE2 3.42Å
248	S	96.7	Very high	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-94.6	147.2	178.6	55.6	0	0	0	0	112.1	N212 F214 C243 T246 Y495	N212-S248 CarbonylContact O-C 3.48Å; N212-S248 WeakPolarHBondContact O-CA 2.88Å; N212-S248 VanDerWaalsContact O-CB 3.26Å; N212-S248 WeakPolarHBondContact O-CB 3.29Å; F214-S248 WeakPolarHBondContact CE2-OG 3.02Å; C243-S248 CarbonylContact C-O 3.58Å; C243-S248 WeakPolarHBondContact CA-OG 3.43Å; C243-S248 WeakPolarHBondContact CB-O 3.12Å; C243-S248 PolarHBondContact O-N 3.23Å; T246-S248 VanDerWaalsContact C-N 3.32Å; T246-S248 PolarHBondContact OG1-OG 3.44Å; S248-Y495 PolarHBondContact N-OH 2.85Å; S248-Y495 PolarHBondContact O-OH 3.29Å
249	I	96.2	Very high	89.1	Confident	6 Å²	6	30.1 Å²	30.1	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128	-177.5	-58.7	-57.7	0	0	0	110.9	N212 S213 F214 L251 P292 I294 Y406 P491 I494 Y495	N212-I249 PolarHBondContact O-N 3.49Å; S213-I249 CarbonylContact C-O 3.58Å; S213-I249 WeakPolarHBondContact CA-O 3.28Å; S213-I249 WeakPolarHBondContact CB-O 3.4Å; F214-I249 PolarHBondContact N-O 2.9Å; I249-L251 HydrophobicContact CG2-CD1 3.99Å; I249-P292 HydrophobicContact CD1-CG 4.48Å; I249-I294 HydrophobicContact CG2-CD1 3.63Å; I249-I294 HydrophobicContact CG2-CG1 3.96Å; I249-Y406 WeakPolarHBondContact CG1-O 3.44Å; I249-P491 HydrophobicContact CD1-CG 4Å; I249-P491 HydrophobicContact CG1-CG 4.36Å; I249-I494 HydrophobicContact CD1-CD1 3.66Å; I249-I494 HydrophobicContact CD1-CG2 4.16Å; I249-I494 HydrophobicContact CG1-CD1 4.42Å; I249-Y495 HydrophobicContact CD1-CD2 4.5Å; I249-Y495 HydrophobicContact CD1-CE2 3.76Å
250	A	97.4	Very high	86.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.3	172.7	0	0	0	0	0	110.7	F216 L240 C243 I293 I294	F216-A250 HydrophobicContact CD2-CB 4.32Å; F216-A250 HydrophobicContact CE2-CB 3.84Å; L240-A250 HydrophobicContact CD2-CB 3.51Å; C243-A250 HydrophobicContact CB-CB 4.23Å; A250-I293 HydrophobicContact CB-CG2 4.19Å; A250-I293 CarbonylContact O-C 3.57Å; A250-I293 WeakPolarHBondContact O-CA 3.29Å; A250-I294 PolarHBondContact O-N 3.38Å
251	L	97.5	Very high	84.7	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.9	171.6	-67.4	82.6	0	0	0	109.1	F214 L215 F216 I249 I294	F214-L251 PolarHBondContact O-N 2.91Å; L215-L251 CarbonylContact C-O 3.53Å; L215-L251 HydrophobicContact CB-CB 4.45Å; L215-L251 HydrophobicContact CD1-CB 3.64Å; F216-L251 WeakPolarHBondContact CD2-O 3.4Å; F216-L251 PolarHBondContact N-O 2.81Å; I249-L251 HydrophobicContact CG2-CD1 3.99Å; L251-I294 CarbonylContact C-O 3.53Å; L251-I294 VanDerWaalsContact CA-O 3.25Å; L251-I294 WeakPolarHBondContact CA-O 3.45Å; L251-I294 HydrophobicContact CG-CB 4.19Å
252	I	96.3	Very high	82.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.6	177.4	-60.1	178.8	0	0	0	108.6	F216 I218 F254 C282 I293 I294 F295 T296	F216-I252 WeakPolarHBondContact O-CA 3.43Å; I218-I252 HydrophobicContact CG1-CG2 3.89Å; I252-F254 HydrophobicContact CG2-CE1 4.5Å; I252-F254 HydrophobicContact CG2-CE2 4.2Å; I252-F254 HydrophobicContact CG2-CZ 4Å; I252-C282 HydrophobicContact CD1-CB 3.98Å; I252-I293 HydrophobicContact CD1-CB 4.38Å; I252-I293 HydrophobicContact CD1-CD1 4.04Å; I252-I293 HydrophobicContact CD1-CG2 4.26Å; I252-I294 PolarHBondContact N-O 3.36Å; I252-F295 HydrophobicContact CB-CD1 3.84Å; I252-F295 HydrophobicContact CB-CE1 3.97Å; I252-F295 HydrophobicContact CD1-CE1 4.09Å; I252-F295 HydrophobicContact CD1-CZ 4.45Å; I252-F295 HydrophobicContact CG2-CD1 3.91Å; I252-F295 HydrophobicContact CG2-CE1 3.8Å; I252-F295 WeakPolarHBondContact O-CA 3.5Å; I252-T296 PolarHBondContact O-N 3.46Å
253	K	93.6	Very high	80.6	Confident	39 Å²	39	49.3 Å²	49.3	17%	0.17	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.2	171.7	-176.4	169.2	-172.6	164.3	0	108.5	Y124 L215 F216 I217 I218 T296 S297 D357	Y124-K253 WeakPolarHBondContact OH-CD 3.14Å; Y124-K253 PolarHBondContact OH-NZ 2.79Å; L215-K253 HydrophobicContact CD1-CB 3.86Å; F216-K253 PolarHBondContact O-N 3.24Å; I217-K253 CarbonylContact C-O 3.07Å; I217-K253 VanDerWaalsContact CA-O 3.31Å; I217-K253 WeakPolarHBondContact CA-O 3.29Å; I218-K253 PolarHBondContact N-O 3.23Å; K253-T296 HydrophobicContact CB-CG2 3.77Å; K253-T296 HydrophobicContact CD-CG2 4.34Å; K253-T296 HydrophobicContact CG-CG2 4.32Å; K253-S297 PolarHBondContact NZ-OG 3.43Å; K253-D357 IonicContact NZ-OD1 2.72Å; K253-D357 PolarHBondContact NZ-OD1 2.91Å; K253-D357 IonicContact NZ-OD2 3.82Å; K253-D357 PolarHBondContact NZ-OD2 3.15Å
254	F	90.6	Very high	78.9	Confident	13 Å²	13	51.5 Å²	51.5	6%	0.057	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.7	175.3	-64.3	-78.8	0	0	0	110.5	I218 P220 I252 L256 E275 I279 F295 I298	I218-F254 HydrophobicContact CB-CD1 3.86Å; I218-F254 HydrophobicContact CB-CE1 3.94Å; I218-F254 HydrophobicContact CG2-CD1 4.01Å; I218-F254 HydrophobicContact CG2-CE1 3.89Å; I218-F254 CarbonylContact O-C 3.28Å; I218-F254 WeakPolarHBondContact O-CA 3.11Å; P220-F254 HydrophobicContact CG-CB 4.03Å; P220-F254 HydrophobicContact CG-CD1 3.94Å; P220-F254 HydrophobicContact CG-CG 4.36Å; I252-F254 HydrophobicContact CG2-CE1 4.5Å; I252-F254 HydrophobicContact CG2-CE2 4.2Å; I252-F254 HydrophobicContact CG2-CZ 4Å; F254-L256 HydrophobicContact CB-CD2 4.25Å; F254-L256 HydrophobicContact CB-CG 4.42Å; F254-L256 PolarHBondContact O-N 3.29Å; F254-E275 HydrophobicContact CB-CG 4.41Å; F254-E275 HydrophobicContact CD2-CG 4.04Å; F254-E275 HydrophobicContact CG-CG 4.12Å; F254-I279 HydrophobicContact CD2-CD1 4.24Å; F254-I279 HydrophobicContact CD2-CG1 4.18Å; F254-I279 HydrophobicContact CE1-CG1 4.31Å; F254-I279 HydrophobicContact CE2-CD1 3.6Å; F254-I279 HydrophobicContact CE2-CG1 3.19Å; F254-I279 HydrophobicContact CZ-CB 4.37Å; F254-I279 HydrophobicContact CZ-CD1 4.17Å; F254-I279 HydrophobicContact CZ-CG1 3.26Å; F254-F295 AromaticContact CE2-CD1 3.9Å; F254-F295 HydrophobicContact CE2-CD1 3.9Å; F254-F295 AromaticContact CE2-CE1 3.95Å; F254-F295 HydrophobicContact CE2-CE1 3.95Å; F254-F295 HydrophobicContact CZ-CD1 4.37Å; F254-F295 AromaticContact CZ-CE1 3.96Å; F254-F295 HydrophobicContact CZ-CE1 3.96Å; F254-I298 HydrophobicContact CD2-CD1 4.33Å; F254-I298 HydrophobicContact CE2-CD1 4.47Å
255	D	85.8	Confident	77.4	Confident	21 Å²	21	55.7 Å²	55.7	11%	0.112	28%	0.28	C	S	.	.			trans	-83.2	99.3	173	-159.8	-17.7	0	0	0	109.9	I217 I218 P220 R257	I217-D255 HydrophobicContact CG2-CB 3.76Å; I218-D255 PolarHBondContact O-N 3.45Å; P220-D255 WeakPolarHBondContact CD-O 2.94Å; D255-R257 VanDerWaalsContact OD1-CB 3.28Å; D255-R257 WeakPolarHBondContact OD1-CB 3.43Å; D255-R257 WeakPolarHBondContact OD1-CG 3.43Å; D255-R257 IonicContact OD1-CZ 3.92Å; D255-R257 PolarHBondContact OD1-N 3.03Å; D255-R257 IonicContact OD1-NE 3.82Å; D255-R257 PolarHBondContact OD1-NE 3.04Å; D255-R257 IonicContact OD1-NH2 3.28Å; D255-R257 IonicContact OD2-CZ 3.03Å; D255-R257 IonicContact OD2-NE 3.4Å; D255-R257 IonicContact OD2-NH2 3.31Å; D255-R257 PolarHBondContact OD2-NH2 2.97Å
256	L	77.3	Confident	75.9	Confident	55 Å²	55	57.2 Å²	57.2	29%	0.288	29%	0.291	S	S	.	.			trans	-92.5	0.9	179.3	-61.7	-177	0	0	0	112.5	P220 F254 K258 A259 Q271	P220-L256 HydrophobicContact CG-CD2 3.97Å; F254-L256 HydrophobicContact CB-CD2 4.25Å; F254-L256 HydrophobicContact CB-CG 4.42Å; F254-L256 PolarHBondContact O-N 3.29Å; L256-K258 PolarHBondContact O-N 2.97Å; L256-A259 WeakPolarHBondContact O-CB 3.48Å; L256-A259 PolarHBondContact O-N 3.06Å; L256-A259 VanDerWaalsContact O-N 3.16Å; L256-Q271 HydrophobicContact CD2-CG 4.26Å
257	R	66.5	Low	74.3	Confident	121 Å²	121	59.8 Å²	59.8	46%	0.457	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-72.9	-26.9	-172.8	-66.3	174.8	-70.9	179	-2.3	114	D255 A259 T260	D255-R257 VanDerWaalsContact OD1-CB 3.28Å; D255-R257 WeakPolarHBondContact OD1-CB 3.43Å; D255-R257 WeakPolarHBondContact OD1-CG 3.43Å; D255-R257 IonicContact OD1-CZ 3.92Å; D255-R257 PolarHBondContact OD1-N 3.03Å; D255-R257 IonicContact OD1-NE 3.82Å; D255-R257 PolarHBondContact OD1-NE 3.04Å; D255-R257 IonicContact OD1-NH2 3.28Å; D255-R257 IonicContact OD2-CZ 3.03Å; D255-R257 IonicContact OD2-NE 3.4Å; D255-R257 IonicContact OD2-NH2 3.31Å; D255-R257 PolarHBondContact OD2-NH2 2.97Å; R257-A259 PolarHBondContact O-N 2.76Å; R257-T260 PolarHBondContact O-N 3.18Å; R257-T260 PolarHBondContact O-OG1 3.15Å
258	K	56.3	Low	73	Confident	104 Å²	104	64 Å²	64	45%	0.452	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.2	-10.3	174	-68.9	-178.7	-173.6	167.7	0	112.4	E192 D219 L256	E192-K258 IonicContact OE1-NZ 2.69Å; D219-K258 WeakPolarHBondContact OD2-CD 3.18Å; D219-K258 IonicContact OD2-NZ 2.87Å; D219-K258 PolarHBondContact OD2-NZ 3.33Å; L256-K258 PolarHBondContact O-N 2.97Å
259	A	48.8	Very low	71.8	Confident	12 Å²	12	68.3 Å²	68.3	10%	0.099	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-90.1	-12.8	-173.6	0	0	0	0	0	113.9	L256 R257 Y261 Y267 Q271	L256-A259 WeakPolarHBondContact O-CB 3.48Å; L256-A259 PolarHBondContact O-N 3.06Å; L256-A259 VanDerWaalsContact O-N 3.16Å; R257-A259 PolarHBondContact O-N 2.76Å; A259-Y261 VanDerWaalsContact C-N 3.28Å; A259-Y261 PolarHBondContact O-N 3.05Å; A259-Y261 VanDerWaalsContact O-N 3.08Å; A259-Y267 WeakPolarHBondContact CA-OH 3.39Å; A259-Y267 HydrophobicContact CB-CE1 3.54Å; A259-Y267 WeakPolarHBondContact CB-OH 3.42Å; A259-Y267 WeakPolarHBondContact O-CE1 3.43Å; A259-Q271 HydrophobicContact CB-CG 4.48Å
260	T	50.3	Low	70.8	Confident	73 Å²	73	75 Å²	75	45%	0.448	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	5.7	-164.8	54.1	0	0	0	0	116.4	R257	R257-T260 PolarHBondContact O-N 3.18Å; R257-T260 PolarHBondContact O-OG1 3.15Å
261	Y	51.3	Low	69.7	Low	221 Å²	221	76.6 Å²	76.6	87%	0.867	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-11	179.8	-69.5	-76	0	0	0	114.8	A259	A259-Y261 VanDerWaalsContact C-N 3.28Å; A259-Y261 PolarHBondContact O-N 3.05Å; A259-Y261 VanDerWaalsContact O-N 3.08Å
262	D	52.5	Low	68.8	Low	88 Å²	88	79.6 Å²	79.6	47%	0.471	40%	0.397	S	S	.	.			trans	-137.7	101	179.8	-167.2	-18.4	0	0	0	111.1	S264 Y267	D262-S264 PolarHBondContact O-N 3.35Å; D262-S264 WeakPolarHBondContact OD1-CB 3.35Å; D262-S264 PolarHBondContact OD1-N 3.14Å; D262-S264 PolarHBondContact OD1-OG 3.32Å; D262-Y267 HydrophobicContact CB-CD2 4.22Å; D262-Y267 HydrophobicContact CB-CG 4.28Å; D262-Y267 VanDerWaalsContact O-CD1 3.24Å; D262-Y267 WeakPolarHBondContact O-CD1 3.32Å
263	C	55.4	Low	68.3	Low	126 Å²	126	84.1 Å²	84.1	85%	0.851	42%	0.422	S	S	*	.			trans	-84.5	26.9	-179	-65.2	0	0	0	0	113.8
264	S	60.3	Low	68	Low	47 Å²	47	83.5 Å²	83.5	33%	0.329	42%	0.42	S	S	.	.			trans	-73.2	143.8	174.4	53.2	0	0	0	0	111.8	D262 D266 Y267 L268	D262-S264 PolarHBondContact O-N 3.35Å; D262-S264 WeakPolarHBondContact OD1-CB 3.35Å; D262-S264 PolarHBondContact OD1-N 3.14Å; D262-S264 PolarHBondContact OD1-OG 3.32Å; S264-D266 PolarHBondContact O-N 2.87Å; S264-Y267 WeakPolarHBondContact O-CA 3.21Å; S264-Y267 VanDerWaalsContact O-CB 3.3Å; S264-Y267 WeakPolarHBondContact O-CB 3.39Å; S264-Y267 PolarHBondContact O-N 2.95Å; S264-Y267 WeakPolarHBondContact OG-CB 3.49Å; S264-L268 PolarHBondContact O-N 3.2Å; S264-L268 VanDerWaalsContact O-N 3.13Å
265	N	63.7	Low	67.8	Low	129 Å²	129	83.4 Å²	83.4	69%	0.69	42%	0.42	S	S	*	.	H	α-helix	trans	-56.5	-35.5	179.2	-79.1	-16.4	0	0	0	112.8	Y267 L268 N269	N265-Y267 VanDerWaalsContact C-N 3.29Å; N265-Y267 PolarHBondContact O-N 2.67Å; N265-L268 PolarHBondContact O-N 3.28Å; N265-N269 PolarHBondContact O-N 2.94Å; N265-N269 PolarHBondContact O-ND2 3.35Å
266	D	65.2	Low	68.1	Low	133 Å²	133	84.6 Å²	84.6	71%	0.711	43%	0.426	S	S	*	.	H	α-helix	trans	-63.6	-37.2	176.2	-74	-12.7	0	0	0	111.8	S264 K270	S264-D266 PolarHBondContact O-N 2.87Å; D266-K270 VanDerWaalsContact O-CB 3.3Å; D266-K270 WeakPolarHBondContact O-CB 3.46Å; D266-K270 PolarHBondContact O-N 3.49Å
267	Y	64	Low	68.7	Low	65 Å²	65	86.7 Å²	86.7	26%	0.255	43%	0.43	S	S	.	.	H	α-helix	trans	-67.4	-44.2	176.9	-169.2	-88.3	0	0	0	111.3	A259 D262 S264 N265 N269 K270 Q271	A259-Y267 WeakPolarHBondContact CA-OH 3.39Å; A259-Y267 HydrophobicContact CB-CE1 3.54Å; A259-Y267 WeakPolarHBondContact CB-OH 3.42Å; A259-Y267 WeakPolarHBondContact O-CE1 3.43Å; D262-Y267 HydrophobicContact CB-CD2 4.22Å; D262-Y267 HydrophobicContact CB-CG 4.28Å; D262-Y267 VanDerWaalsContact O-CD1 3.24Å; D262-Y267 WeakPolarHBondContact O-CD1 3.32Å; S264-Y267 WeakPolarHBondContact O-CA 3.21Å; S264-Y267 VanDerWaalsContact O-CB 3.3Å; S264-Y267 WeakPolarHBondContact O-CB 3.39Å; S264-Y267 PolarHBondContact O-N 2.95Å; S264-Y267 WeakPolarHBondContact OG-CB 3.49Å; N265-Y267 VanDerWaalsContact C-N 3.29Å; N265-Y267 PolarHBondContact O-N 2.67Å; Y267-N269 PolarHBondContact O-N 2.73Å; Y267-K270 PolarHBondContact O-N 3.44Å; Y267-Q271 WeakPolarHBondContact O-CB 3.36Å; Y267-Q271 PolarHBondContact O-N 3.2Å
268	L	67.3	Low	69.9	Low	89 Å²	89	81 Å²	81	47%	0.466	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177.2	-169.1	69.2	0	0	0	112.2	S264 N265 Q271 N272	S264-L268 PolarHBondContact O-N 3.2Å; S264-L268 VanDerWaalsContact O-N 3.13Å; N265-L268 PolarHBondContact O-N 3.28Å; L268-Q271 WeakPolarHBondContact O-CB 3.39Å; L268-Q271 PolarHBondContact O-N 2.7Å; L268-N272 PolarHBondContact O-N 3.37Å; L268-N272 PolarHBondContact O-ND2 3.11Å
269	N	71.3	Confident	71.6	Confident	90 Å²	90	76 Å²	76	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-46.5	175	-74.8	-25.6	0	0	0	111.5	N265 Y267 Q271 N272 D273	N265-N269 PolarHBondContact O-N 2.94Å; N265-N269 PolarHBondContact O-ND2 3.35Å; Y267-N269 PolarHBondContact O-N 2.73Å; N269-Q271 PolarHBondContact O-N 3.09Å; N269-N272 PolarHBondContact O-N 2.84Å; N269-D273 PolarHBondContact O-N 3.12Å
270	K	75.7	Confident	73.7	Confident	147 Å²	147	79.3 Å²	79.3	64%	0.639	40%	0.4	S	S	*	.	H	α-helix	trans	-61.7	-34.9	177.3	-173.6	177.3	-178.1	178.8	0	112.4	D266 Y267 L274	D266-K270 VanDerWaalsContact O-CB 3.3Å; D266-K270 WeakPolarHBondContact O-CB 3.46Å; D266-K270 PolarHBondContact O-N 3.49Å; Y267-K270 PolarHBondContact O-N 3.44Å; K270-L274 VanDerWaalsContact O-CB 3.28Å; K270-L274 WeakPolarHBondContact O-CB 3.44Å; K270-L274 PolarHBondContact O-N 3Å
271	Q	75.1	Confident	75.8	Confident	32 Å²	32	78.7 Å²	78.7	15%	0.15	39%	0.391	C	S	.	.	H	α-helix	trans	-67.7	-46.5	176	-179.3	176.8	-14.5	0	0	111.4	L256 A259 Y267 L268 N269 D273 L274 E275	L256-Q271 HydrophobicContact CD2-CG 4.26Å; A259-Q271 HydrophobicContact CB-CG 4.48Å; Y267-Q271 WeakPolarHBondContact O-CB 3.36Å; Y267-Q271 PolarHBondContact O-N 3.2Å; L268-Q271 WeakPolarHBondContact O-CB 3.39Å; L268-Q271 PolarHBondContact O-N 2.7Å; N269-Q271 PolarHBondContact O-N 3.09Å; Q271-D273 VanDerWaalsContact C-N 3.32Å; Q271-D273 PolarHBondContact O-N 3.5Å; Q271-L274 WeakPolarHBondContact O-CB 2.93Å; Q271-L274 PolarHBondContact O-N 3.05Å; Q271-L274 VanDerWaalsContact O-N 3.15Å; Q271-E275 WeakPolarHBondContact O-CB 3.32Å; Q271-E275 PolarHBondContact O-N 2.92Å
272	N	78	Confident	77.8	Confident	66 Å²	66	68.2 Å²	68.2	35%	0.353	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-43	174.7	-71.5	-22.4	0	0	0	111.6	L268 N269 L274 E275 L276	L268-N272 PolarHBondContact O-N 3.37Å; L268-N272 PolarHBondContact O-ND2 3.11Å; N269-N272 PolarHBondContact O-N 2.84Å; N272-L274 VanDerWaalsContact C-N 3.32Å; N272-L274 PolarHBondContact O-N 3.32Å; N272-E275 PolarHBondContact O-N 2.85Å; N272-L276 VanDerWaalsContact O-CB 3.31Å; N272-L276 WeakPolarHBondContact O-CB 3.25Å; N272-L276 PolarHBondContact O-N 3.04Å
273	D	85.3	Confident	79.8	Confident	95 Å²	95	64.7 Å²	64.7	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-34.9	176.6	-74.1	-17	0	0	0	112.7	N269 Q271 R277	N269-D273 PolarHBondContact O-N 3.12Å; Q271-D273 VanDerWaalsContact C-N 3.32Å; Q271-D273 PolarHBondContact O-N 3.5Å; D273-R277 WeakPolarHBondContact O-CB 3.23Å; D273-R277 WeakPolarHBondContact O-CG 3.35Å; D273-R277 PolarHBondContact O-N 3.13Å; D273-R277 VanDerWaalsContact O-N 3.12Å; D273-R277 PolarHBondContact O-NE 2.87Å
274	L	86.6	Confident	81.6	Confident	26 Å²	26	64.4 Å²	64.4	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-42.8	177.8	-173.9	72.2	0	0	0	111.7	P220 M221 D224 K270 Q271 N272 S278	P220-L274 HydrophobicContact CB-CD2 3.71Å; P220-L274 HydrophobicContact CB-CG 3.64Å; M221-L274 HydrophobicContact CB-CD2 4.35Å; M221-L274 HydrophobicContact CG-CD2 3.58Å; D224-L274 HydrophobicContact CB-CD1 3.34Å; K270-L274 VanDerWaalsContact O-CB 3.28Å; K270-L274 WeakPolarHBondContact O-CB 3.44Å; K270-L274 PolarHBondContact O-N 3Å; Q271-L274 WeakPolarHBondContact O-CB 2.93Å; Q271-L274 PolarHBondContact O-N 3.05Å; Q271-L274 VanDerWaalsContact O-N 3.15Å; N272-L274 VanDerWaalsContact C-N 3.32Å; N272-L274 PolarHBondContact O-N 3.32Å; L274-S278 WeakPolarHBondContact O-CB 3.2Å; L274-S278 PolarHBondContact O-N 2.97Å; L274-S278 PolarHBondContact O-OG 3.44Å
275	E	87.9	Confident	83.1	Confident	12 Å²	12	62.8 Å²	62.8	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-47.3	174.3	-169.7	-180	-178.5	0	0	110.3	F254 Q271 N272 R277 S278 I279 I303	F254-E275 HydrophobicContact CB-CG 4.41Å; F254-E275 HydrophobicContact CD2-CG 4.04Å; F254-E275 HydrophobicContact CG-CG 4.12Å; Q271-E275 WeakPolarHBondContact O-CB 3.32Å; Q271-E275 PolarHBondContact O-N 2.92Å; N272-E275 PolarHBondContact O-N 2.85Å; E275-R277 PolarHBondContact O-N 2.8Å; E275-S278 WeakPolarHBondContact O-CB 3.23Å; E275-S278 PolarHBondContact O-N 3.28Å; E275-S278 VanDerWaalsContact O-N 3.09Å; E275-I279 HydrophobicContact CG-CD1 4.03Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 2.99Å; E275-I303 HydrophobicContact CB-CD1 4.13Å; E275-I303 HydrophobicContact CG-CD1 3.72Å; E275-I303 VanDerWaalsContact OE2-CD1 3.31Å; E275-I303 WeakPolarHBondContact OE2-CD1 3.15Å
276	L	90.4	Very high	84.6	Confident	45 Å²	45	56.7 Å²	56.7	24%	0.236	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-47.6	177.6	-175.2	66	0	0	0	112.1	N272 S278 I279 E280 I303 K306	N272-L276 VanDerWaalsContact O-CB 3.31Å; N272-L276 WeakPolarHBondContact O-CB 3.25Å; N272-L276 PolarHBondContact O-N 3.04Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.35Å; L276-I279 WeakPolarHBondContact O-CB 3.45Å; L276-I279 PolarHBondContact O-N 3.03Å; L276-E280 WeakPolarHBondContact O-CG 3.32Å; L276-E280 PolarHBondContact O-N 2.83Å; L276-I303 HydrophobicContact CD1-CG1 4.31Å; L276-K306 HydrophobicContact CD1-CB 3.85Å; L276-K306 HydrophobicContact CD1-CG 3.93Å
277	R	90.7	Very high	85.9	Confident	100 Å²	100	52 Å²	52	38%	0.377	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-38	175.7	-77.4	-176.2	-73.6	152	-5.4	112.4	D224 D273 E275 I279 E280 K281	D224-R277 IonicContact OD1-CZ 2.85Å; D224-R277 IonicContact OD1-NH1 3.65Å; D224-R277 PolarHBondContact OD1-NH1 2.57Å; D224-R277 IonicContact OD2-CZ 2.92Å; D224-R277 IonicContact OD2-NH1 3.55Å; D224-R277 PolarHBondContact OD2-NH1 2.74Å; D224-R277 IonicContact OD2-NH2 3.51Å; D273-R277 WeakPolarHBondContact O-CB 3.23Å; D273-R277 WeakPolarHBondContact O-CG 3.35Å; D273-R277 PolarHBondContact O-N 3.13Å; D273-R277 VanDerWaalsContact O-N 3.12Å; D273-R277 PolarHBondContact O-NE 2.87Å; E275-R277 PolarHBondContact O-N 2.8Å; R277-I279 VanDerWaalsContact C-N 3.34Å; R277-E280 PolarHBondContact O-N 2.88Å; R277-K281 WeakPolarHBondContact O-CG 3.22Å; R277-K281 PolarHBondContact O-N 2.79Å; R277-K281 VanDerWaalsContact O-N 3.12Å
278	S	92	Very high	87.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-38.8	177	-58.9	0	0	0	0	111.4	P220 L274 E275 L276 K281 C282	P220-S278 WeakPolarHBondContact CA-OG 3Å; P220-S278 WeakPolarHBondContact CB-OG 3.41Å; P220-S278 PolarHBondContact O-OG 3.38Å; L274-S278 WeakPolarHBondContact O-CB 3.2Å; L274-S278 PolarHBondContact O-N 2.97Å; L274-S278 PolarHBondContact O-OG 3.44Å; E275-S278 WeakPolarHBondContact O-CB 3.23Å; E275-S278 PolarHBondContact O-N 3.28Å; E275-S278 VanDerWaalsContact O-N 3.09Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.35Å; S278-K281 PolarHBondContact O-N 3.34Å; S278-C282 PolarHBondContact O-N 3Å; S278-C282 PolarHBondContact O-SG 3.49Å; S278-C282 VanDerWaalsContact O-SG 3.34Å
279	I	92.8	Very high	88.3	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-45.5	175.5	-73	173.2	0	0	0	111.5	F254 E275 L276 R277 K281 C282 I283 F295 I298 I303 I307	F254-I279 HydrophobicContact CD2-CD1 4.24Å; F254-I279 HydrophobicContact CD2-CG1 4.18Å; F254-I279 HydrophobicContact CE1-CG1 4.31Å; F254-I279 HydrophobicContact CE2-CD1 3.6Å; F254-I279 HydrophobicContact CE2-CG1 3.19Å; F254-I279 HydrophobicContact CZ-CB 4.37Å; F254-I279 HydrophobicContact CZ-CD1 4.17Å; F254-I279 HydrophobicContact CZ-CG1 3.26Å; E275-I279 HydrophobicContact CG-CD1 4.03Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 2.99Å; L276-I279 WeakPolarHBondContact O-CB 3.45Å; L276-I279 PolarHBondContact O-N 3.03Å; R277-I279 VanDerWaalsContact C-N 3.34Å; I279-K281 VanDerWaalsContact C-N 3.28Å; I279-K281 PolarHBondContact O-N 3.39Å; I279-C282 PolarHBondContact O-N 3.25Å; I279-C282 VanDerWaalsContact O-N 3.15Å; I279-I283 HydrophobicContact CG2-CD1 3.71Å; I279-I283 HydrophobicContact CG2-CG1 4.27Å; I279-I283 WeakPolarHBondContact O-CB 3.38Å; I279-I283 VanDerWaalsContact O-CG1 3.26Å; I279-I283 WeakPolarHBondContact O-CG1 3.41Å; I279-I283 PolarHBondContact O-N 3.33Å; I279-F295 HydrophobicContact CG1-CE1 4.21Å; I279-F295 HydrophobicContact CG2-CE1 4.5Å; I279-F295 HydrophobicContact CG2-CE2 4.43Å; I279-F295 HydrophobicContact CG2-CZ 4.13Å; I279-I298 HydrophobicContact CD1-CD1 4.32Å; I279-I303 HydrophobicContact CD1-CB 4.2Å; I279-I303 HydrophobicContact CD1-CD1 4.18Å; I279-I303 HydrophobicContact CD1-CG1 4.19Å; I279-I303 HydrophobicContact CD1-CG2 3.05Å; I279-I303 HydrophobicContact CG1-CG2 4.44Å; I279-I307 HydrophobicContact CG2-CD1 4.21Å; I279-I307 HydrophobicContact CG2-CG1 3.78Å
280	E	92.6	Very high	89.3	Confident	82 Å²	82	45 Å²	45	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-41.7	174.8	-70.7	-174.9	153.3	0	0	111.9	L276 R277 F284 K306	L276-E280 WeakPolarHBondContact O-CG 3.32Å; L276-E280 PolarHBondContact O-N 2.83Å; R277-E280 PolarHBondContact O-N 2.88Å; E280-F284 WeakPolarHBondContact O-CB 3.4Å; E280-F284 PolarHBondContact O-N 2.96Å; E280-K306 HydrophobicContact CG-CG 4.43Å; E280-K306 WeakPolarHBondContact OE1-CE 3.01Å; E280-K306 IonicContact OE1-NZ 2.66Å; E280-K306 PolarHBondContact OE1-NZ 2.98Å
281	K	92.9	Very high	90.2	Very high	60 Å²	60	38.1 Å²	38.1	26%	0.261	19%	0.19	S	C	.	.	H	α-helix	trans	-63.5	-46.6	174	-69.9	-177.8	-173.2	-173.1	0	111.5	M223 D224 R277 S278 I279 I283 F284 L285	M223-K281 HydrophobicContact CE-CB 3.82Å; M223-K281 HydrophobicContact CE-CD 4.41Å; M223-K281 HydrophobicContact CG-CD 4.25Å; M223-K281 PolarHBondContact O-NZ 2.78Å; D224-K281 PolarHBondContact O-NZ 3.34Å; D224-K281 VanDerWaalsContact O-NZ 3.08Å; R277-K281 WeakPolarHBondContact O-CG 3.22Å; R277-K281 PolarHBondContact O-N 2.79Å; R277-K281 VanDerWaalsContact O-N 3.12Å; S278-K281 PolarHBondContact O-N 3.34Å; I279-K281 VanDerWaalsContact C-N 3.28Å; I279-K281 PolarHBondContact O-N 3.39Å; K281-I283 PolarHBondContact O-N 3.22Å; K281-F284 WeakPolarHBondContact O-CB 3.44Å; K281-F284 PolarHBondContact O-N 3.47Å; K281-L285 VanDerWaalsContact O-CG 3.3Å; K281-L285 WeakPolarHBondContact O-CG 3.45Å; K281-L285 PolarHBondContact O-N 2.83Å
282	C	94	Very high	91.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-44	177.3	-72.3	0	0	0	0	112.3	I252 S278 I279 F284 L285 A286 F295	I252-C282 HydrophobicContact CD1-CB 3.98Å; S278-C282 PolarHBondContact O-N 3Å; S278-C282 PolarHBondContact O-SG 3.49Å; S278-C282 VanDerWaalsContact O-SG 3.34Å; I279-C282 PolarHBondContact O-N 3.25Å; I279-C282 VanDerWaalsContact O-N 3.15Å; C282-F284 VanDerWaalsContact C-N 3.35Å; C282-F284 PolarHBondContact O-N 3.04Å; C282-L285 PolarHBondContact O-N 2.89Å; C282-A286 WeakPolarHBondContact O-CB 3.45Å; C282-A286 PolarHBondContact O-N 2.85Å; C282-F295 HydrophobicContact CB-CE1 3.92Å; C282-F295 HydrophobicContact CB-CZ 3.79Å
283	I	94.4	Very high	92	Very high	15 Å²	15	33.7 Å²	33.7	8%	0.077	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-46.2	174.9	-69.5	172.3	0	0	0	110.2	I279 K281 L285 T287 F295 I307 A310 I319	I279-I283 HydrophobicContact CG2-CD1 3.71Å; I279-I283 HydrophobicContact CG2-CG1 4.27Å; I279-I283 WeakPolarHBondContact O-CB 3.38Å; I279-I283 VanDerWaalsContact O-CG1 3.26Å; I279-I283 WeakPolarHBondContact O-CG1 3.41Å; I279-I283 PolarHBondContact O-N 3.33Å; K281-I283 PolarHBondContact O-N 3.22Å; I283-L285 PolarHBondContact O-N 2.8Å; I283-T287 WeakPolarHBondContact O-CB 3.45Å; I283-T287 PolarHBondContact O-N 3.18Å; I283-T287 PolarHBondContact O-OG1 3.15Å; I283-F295 HydrophobicContact CD1-CE2 4.37Å; I283-F295 HydrophobicContact CG1-CE2 3.81Å; I283-F295 HydrophobicContact CG1-CZ 3.94Å; I283-I307 HydrophobicContact CD1-CG1 4.25Å; I283-A310 HydrophobicContact CD1-CB 3.98Å; I283-A310 HydrophobicContact CG2-CB 3.81Å; I283-I319 HydrophobicContact CB-CD1 4.42Å; I283-I319 HydrophobicContact CG1-CD1 4.03Å; I283-I319 HydrophobicContact CG2-CD1 3.9Å
284	F	92.7	Very high	92.5	Very high	119 Å²	119	29.4 Å²	29.4	52%	0.522	14%	0.144	S	C	.	.	H	α-helix	trans	-59	-46.9	177	176	-95.6	0	0	0	111.9	E280 K281 C282 T287 S288	E280-F284 WeakPolarHBondContact O-CB 3.4Å; E280-F284 PolarHBondContact O-N 2.96Å; K281-F284 WeakPolarHBondContact O-CB 3.44Å; K281-F284 PolarHBondContact O-N 3.47Å; C282-F284 VanDerWaalsContact C-N 3.35Å; C282-F284 PolarHBondContact O-N 3.04Å; F284-T287 PolarHBondContact O-N 3.17Å; F284-S288 WeakPolarHBondContact O-CB 3.3Å; F284-S288 PolarHBondContact O-N 3.11Å
285	L	93.7	Very high	93	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-53.8	178.5	-65.6	171.9	0	0	0	111.1	M223 I233 L236 L237 L240 K281 C282 I283 T287 S288 I289	M223-L285 HydrophobicContact CE-CD1 3.66Å; I233-L285 HydrophobicContact CG2-CD1 3.99Å; I233-L285 HydrophobicContact CG2-CD2 3.72Å; I233-L285 HydrophobicContact CG2-CG 4.48Å; L236-L285 HydrophobicContact CD2-CD1 3.92Å; L236-L285 HydrophobicContact CG-CD1 4.44Å; L237-L285 HydrophobicContact CD1-CB 4.21Å; L237-L285 HydrophobicContact CD1-CD2 4.06Å; L240-L285 HydrophobicContact CD1-CB 4.47Å; K281-L285 VanDerWaalsContact O-CG 3.3Å; K281-L285 WeakPolarHBondContact O-CG 3.45Å; K281-L285 PolarHBondContact O-N 2.83Å; C282-L285 PolarHBondContact O-N 2.89Å; I283-L285 PolarHBondContact O-N 2.8Å; L285-T287 VanDerWaalsContact C-N 3.29Å; L285-T287 PolarHBondContact O-N 3.3Å; L285-S288 PolarHBondContact O-N 2.94Å; L285-S288 VanDerWaalsContact O-N 3.13Å; L285-S288 PolarHBondContact O-OG 3.01Å; L285-I289 WeakPolarHBondContact O-CG1 3.45Å; L285-I289 PolarHBondContact O-N 3.24Å
286	A	94.1	Very high	93.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-39.4	179.4	0	0	0	0	0	112.5	L240 C282 I289 N290 C291 I293	L240-A286 HydrophobicContact CD1-CB 4.45Å; C282-A286 WeakPolarHBondContact O-CB 3.45Å; C282-A286 PolarHBondContact O-N 2.85Å; A286-I289 WeakPolarHBondContact O-CG1 3.28Å; A286-N290 WeakPolarHBondContact O-CA 3.5Å; A286-N290 PolarHBondContact O-N 3.46Å; A286-C291 PolarHBondContact O-N 3Å; A286-I293 HydrophobicContact CB-CB 4.5Å; A286-I293 HydrophobicContact CB-CD1 3.68Å; A286-I293 HydrophobicContact CB-CG1 3.96Å; A286-I293 HydrophobicContact CB-CG2 3.72Å
287	T	92.2	Very high	93	Very high	36 Å²	36	26.4 Å²	26.4	22%	0.221	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-40.6	177.1	-57.6	0	0	0	0	111.5	I283 F284 L285 I289 N290 I317 R505	I283-T287 WeakPolarHBondContact O-CB 3.45Å; I283-T287 PolarHBondContact O-N 3.18Å; I283-T287 PolarHBondContact O-OG1 3.15Å; F284-T287 PolarHBondContact O-N 3.17Å; L285-T287 VanDerWaalsContact C-N 3.29Å; L285-T287 PolarHBondContact O-N 3.3Å; T287-I289 VanDerWaalsContact C-N 3.3Å; T287-I289 PolarHBondContact O-N 3.32Å; T287-N290 PolarHBondContact O-N 3.49Å; T287-I317 HydrophobicContact CG2-CD1 4.28Å; T287-R505 PolarHBondContact O-NH2 2.87Å
288	S	90.4	Very high	92.8	Very high	62 Å²	62	21.7 Å²	21.7	43%	0.434	11%	0.113	S	C	.	.	H	α-helix	trans	-58.3	-42.3	-178.5	74.1	0	0	0	0	112.1	F284 L285 R505	F284-S288 WeakPolarHBondContact O-CB 3.3Å; F284-S288 PolarHBondContact O-N 3.11Å; L285-S288 PolarHBondContact O-N 2.94Å; L285-S288 VanDerWaalsContact O-N 3.13Å; L285-S288 PolarHBondContact O-OG 3.01Å; S288-R505 PolarHBondContact O-NH1 3.25Å
289	I	91.3	Very high	92.1	Very high	28 Å²	28	26.2 Å²	26.2	14%	0.144	14%	0.137	C	C	.	.	H	α-helix	trans	-94.7	-6.3	179.4	56.7	169	0	0	0	113.8	L237 L240 D241 K244 L285 A286 T287 C291	L237-I289 HydrophobicContact CD1-CD1 4.33Å; L237-I289 HydrophobicContact CD1-CG1 4.41Å; L237-I289 HydrophobicContact CD1-CG2 3.65Å; L237-I289 HydrophobicContact CG-CG2 4.28Å; L240-I289 HydrophobicContact CB-CD1 3.25Å; L240-I289 HydrophobicContact CD1-CD1 4.35Å; L240-I289 HydrophobicContact CG-CD1 4.44Å; D241-I289 HydrophobicContact CB-CD1 4.34Å; K244-I289 VanDerWaalsContact CD-O 3.25Å; K244-I289 WeakPolarHBondContact CD-O 3.47Å; K244-I289 WeakPolarHBondContact CE-O 3.48Å; K244-I289 PolarHBondContact NZ-O 3.14Å; L285-I289 WeakPolarHBondContact O-CG1 3.45Å; L285-I289 PolarHBondContact O-N 3.24Å; A286-I289 WeakPolarHBondContact O-CG1 3.28Å; T287-I289 VanDerWaalsContact C-N 3.3Å; T287-I289 PolarHBondContact O-N 3.32Å; I289-C291 HydrophobicContact CD1-CB 3.47Å; I289-C291 VanDerWaalsContact CD1-CB 3.47Å; I289-C291 HydrophobicContact CG1-CB 3.79Å
290	N	93.1	Very high	91.5	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	51.3	-173	-174.5	28	0	0	0	112.4	K244 A286 T287 V498 F501 E502	K244-N290 WeakPolarHBondContact CD-O 3.49Å; K244-N290 WeakPolarHBondContact CE-O 3.45Å; A286-N290 WeakPolarHBondContact O-CA 3.5Å; A286-N290 PolarHBondContact O-N 3.46Å; T287-N290 PolarHBondContact O-N 3.49Å; N290-V498 PolarHBondContact ND2-O 3.04Å; N290-V498 WeakPolarHBondContact O-CG1 3.38Å; N290-F501 HydrophobicContact CB-CD1 4.35Å; N290-F501 VanDerWaalsContact OD1-CD1 3.31Å; N290-F501 WeakPolarHBondContact OD1-CD1 3.29Å; N290-E502 VanDerWaalsContact CB-OE1 3.28Å; N290-E502 WeakPolarHBondContact CB-OE1 3.46Å; N290-E502 WeakPolarHBondContact ND2-CG 3.43Å; N290-E502 PolarHBondContact ND2-OE1 2.91Å
291	C	94.6	Very high	91.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.02	15%	0.146	C	C	.	.			trans	-96.6	131.6	172.9	-176.9	0	0	0	0	109.4	L240 K244 A286 I289	L240-C291 HydrophobicContact CB-CB 4.17Å; L240-C291 PolarHBondContact O-SG 3.19Å; K244-C291 HydrophobicContact CB-CB 4.28Å; A286-C291 PolarHBondContact O-N 3Å; I289-C291 HydrophobicContact CD1-CB 3.47Å; I289-C291 VanDerWaalsContact CD1-CB 3.47Å; I289-C291 HydrophobicContact CG1-CB 3.79Å
292	P	95	Very high	90.8	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.026	16%	0.163	C	C	.	.			trans	-69.7	130.5	172.3	30.2	-33.9	0	0	0	110.6	I249 H318 I494 Y495 V498	I249-P292 HydrophobicContact CD1-CG 4.48Å; P292-H318 CarbonylContact C-O 3.53Å; P292-H318 VanDerWaalsContact CA-O 3.31Å; P292-H318 WeakPolarHBondContact CA-O 3.26Å; P292-H318 HydrophobicContact CB-CB 3.66Å; P292-I494 HydrophobicContact CB-CG2 3.45Å; P292-I494 VanDerWaalsContact CB-CG2 3.45Å; P292-I494 HydrophobicContact CG-CG2 3.82Å; P292-Y495 HydrophobicContact CG-CE1 4.32Å; P292-Y495 HydrophobicContact CG-CE2 4.14Å; P292-V498 HydrophobicContact CB-CG2 4.15Å; P292-V498 HydrophobicContact CG-CG2 4.05Å
293	I	95.8	Very high	90.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.6	179.2	60.2	164.2	0	0	0	111.9	L240 A250 I252 A286 F295 H318 I319 T320	L240-I293 HydrophobicContact CD2-CG2 3.97Å; A250-I293 HydrophobicContact CB-CG2 4.19Å; A250-I293 CarbonylContact O-C 3.57Å; A250-I293 WeakPolarHBondContact O-CA 3.29Å; I252-I293 HydrophobicContact CD1-CB 4.38Å; I252-I293 HydrophobicContact CD1-CD1 4.04Å; I252-I293 HydrophobicContact CD1-CG2 4.26Å; A286-I293 HydrophobicContact CB-CB 4.5Å; A286-I293 HydrophobicContact CB-CD1 3.68Å; A286-I293 HydrophobicContact CB-CG1 3.96Å; A286-I293 HydrophobicContact CB-CG2 3.72Å; I293-F295 HydrophobicContact CD1-CD2 4.27Å; I293-F295 HydrophobicContact CD1-CE1 4.47Å; I293-F295 HydrophobicContact CD1-CE2 3.49Å; I293-F295 VanDerWaalsContact CD1-CE2 3.49Å; I293-F295 HydrophobicContact CD1-CZ 3.61Å; I293-F295 HydrophobicContact CG1-CE2 4.43Å; I293-H318 PolarHBondContact N-O 3.48Å; I293-I319 HydrophobicContact CD1-CG1 4.18Å; I293-I319 HydrophobicContact CD1-CG2 4.38Å; I293-I319 HydrophobicContact CG1-CB 4.4Å; I293-I319 HydrophobicContact CG1-CG1 3.82Å; I293-I319 HydrophobicContact CG1-CG2 4.19Å; I293-I319 WeakPolarHBondContact O-CA 3.09Å; I293-T320 PolarHBondContact O-N 3.41Å
294	I	96	Very high	90.3	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.6	170.6	-50.4	179.6	0	0	0	108.3	I249 A250 L251 I252 T320 C322 Y406	I249-I294 HydrophobicContact CG2-CD1 3.63Å; I249-I294 HydrophobicContact CG2-CG1 3.96Å; A250-I294 PolarHBondContact O-N 3.38Å; L251-I294 CarbonylContact C-O 3.53Å; L251-I294 VanDerWaalsContact CA-O 3.25Å; L251-I294 WeakPolarHBondContact CA-O 3.45Å; L251-I294 HydrophobicContact CG-CB 4.19Å; I252-I294 PolarHBondContact N-O 3.36Å; I294-T320 CarbonylContact C-O 3.53Å; I294-T320 WeakPolarHBondContact CA-O 3.11Å; I294-T320 HydrophobicContact CG2-CG2 4.33Å; I294-C322 HydrophobicContact CG2-CB 4.23Å; I294-Y406 HydrophobicContact CD1-CD1 3.5Å; I294-Y406 HydrophobicContact CD1-CE1 4.04Å; I294-Y406 HydrophobicContact CD1-CG 3.85Å; I294-Y406 HydrophobicContact CG1-CD1 4.34Å; I294-Y406 HydrophobicContact CG1-CE1 4.48Å
295	F	95.8	Very high	90.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.4	166.8	-70.6	-73.9	0	0	0	108.8	I252 F254 I279 C282 I283 I293 I298 I307 I319 T320 V321 C322	I252-F295 HydrophobicContact CB-CD1 3.84Å; I252-F295 HydrophobicContact CB-CE1 3.97Å; I252-F295 HydrophobicContact CD1-CE1 4.09Å; I252-F295 HydrophobicContact CD1-CZ 4.45Å; I252-F295 HydrophobicContact CG2-CD1 3.91Å; I252-F295 HydrophobicContact CG2-CE1 3.8Å; I252-F295 WeakPolarHBondContact O-CA 3.5Å; F254-F295 AromaticContact CE2-CD1 3.9Å; F254-F295 HydrophobicContact CE2-CD1 3.9Å; F254-F295 AromaticContact CE2-CE1 3.95Å; F254-F295 HydrophobicContact CE2-CE1 3.95Å; F254-F295 HydrophobicContact CZ-CD1 4.37Å; F254-F295 AromaticContact CZ-CE1 3.96Å; F254-F295 HydrophobicContact CZ-CE1 3.96Å; I279-F295 HydrophobicContact CG1-CE1 4.21Å; I279-F295 HydrophobicContact CG2-CE1 4.5Å; I279-F295 HydrophobicContact CG2-CE2 4.43Å; I279-F295 HydrophobicContact CG2-CZ 4.13Å; C282-F295 HydrophobicContact CB-CE1 3.92Å; C282-F295 HydrophobicContact CB-CZ 3.79Å; I283-F295 HydrophobicContact CD1-CE2 4.37Å; I283-F295 HydrophobicContact CG1-CE2 3.81Å; I283-F295 HydrophobicContact CG1-CZ 3.94Å; I293-F295 HydrophobicContact CD1-CD2 4.27Å; I293-F295 HydrophobicContact CD1-CE1 4.47Å; I293-F295 HydrophobicContact CD1-CE2 3.49Å; I293-F295 VanDerWaalsContact CD1-CE2 3.49Å; I293-F295 HydrophobicContact CD1-CZ 3.61Å; I293-F295 HydrophobicContact CG1-CE2 4.43Å; F295-I298 HydrophobicContact CB-CD1 4.13Å; F295-I298 HydrophobicContact CB-CG1 3.82Å; F295-I307 HydrophobicContact CB-CD1 3.97Å; F295-I307 HydrophobicContact CD2-CD1 3.59Å; F295-I307 HydrophobicContact CD2-CG1 3.92Å; F295-I307 HydrophobicContact CD2-CG2 4.18Å; F295-I307 HydrophobicContact CE2-CD1 4.21Å; F295-I307 HydrophobicContact CE2-CG1 4.12Å; F295-I307 HydrophobicContact CG-CD1 3.84Å; F295-I319 HydrophobicContact CD2-CG2 3.68Å; F295-I319 HydrophobicContact CE2-CG2 3.73Å; F295-T320 PolarHBondContact N-O 3.18Å; F295-V321 WeakPolarHBondContact O-CA 3.45Å; F295-C322 PolarHBondContact O-N 2.76Å
296	T	93	Very high	90.1	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.7	-178.3	-168.5	0	0	0	0	111.7	L215 I252 K253 I298 C322	L215-T296 HydrophobicContact CD1-CG2 3.87Å; I252-T296 PolarHBondContact O-N 3.46Å; K253-T296 HydrophobicContact CB-CG2 3.77Å; K253-T296 HydrophobicContact CD-CG2 4.34Å; K253-T296 HydrophobicContact CG-CG2 4.32Å; T296-I298 VanDerWaalsContact C-N 3.29Å; T296-I298 PolarHBondContact O-N 2.93Å; T296-C322 CarbonylContact C-O 3.49Å
297	S	85.8	Confident	90	Very high	17 Å²	17	30.2 Å²	30.2	12%	0.119	17%	0.166	C	C	.	.	S	Bend	trans	61.5	32.2	178.2	-45.3	0	0	0	0	114.1	K253 C322 D357	K253-S297 PolarHBondContact NZ-OG 3.43Å; S297-C322 PolarHBondContact N-O 2.98Å; S297-D357 VanDerWaalsContact CB-OD2 3.31Å; S297-D357 WeakPolarHBondContact CB-OD2 3.31Å; S297-D357 PolarHBondContact OG-OD1 3.25Å; S297-D357 PolarHBondContact OG-OD2 3.07Å
298	I	87.1	Confident	90	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.157	C	C	.	.			trans	-79.3	123.4	178.9	-57.7	-59.1	0	0	0	110.3	F254 I279 F295 T296 I303 I304 I307 V321 C322 C323	F254-I298 HydrophobicContact CD2-CD1 4.33Å; F254-I298 HydrophobicContact CE2-CD1 4.47Å; I279-I298 HydrophobicContact CD1-CD1 4.32Å; F295-I298 HydrophobicContact CB-CD1 4.13Å; F295-I298 HydrophobicContact CB-CG1 3.82Å; T296-I298 VanDerWaalsContact C-N 3.29Å; T296-I298 PolarHBondContact O-N 2.93Å; I298-I303 HydrophobicContact CD1-CG2 4.38Å; I298-I303 HydrophobicContact CG2-CB 4.05Å; I298-I303 HydrophobicContact CG2-CG2 3.53Å; I298-I304 HydrophobicContact CB-CG1 4.32Å; I298-I304 HydrophobicContact CG2-CD1 4.03Å; I298-I304 HydrophobicContact CG2-CG1 3.49Å; I298-I304 VanDerWaalsContact CG2-CG1 3.49Å; I298-I307 HydrophobicContact CG1-CD1 4.44Å; I298-V321 HydrophobicContact CB-CG1 4.09Å; I298-V321 HydrophobicContact CG1-CG1 4.25Å; I298-C322 PolarHBondContact N-O 2.92Å; I298-C323 PolarHBondContact O-SG 2.93Å
299	N	76.4	Confident	90	Very high	96 Å²	96	30.9 Å²	30.9	51%	0.513	16%	0.16	S	C	.	.			trans	-116.7	-2.9	-179.4	-66.3	-27.8	0	0	0	114	S327 F342	N299-S327 PolarHBondContact OD1-OG 3.21Å; N299-F342 VanDerWaalsContact O-CZ 3.29Å; N299-F342 WeakPolarHBondContact O-CZ 3.43Å
300	G	80.6	Confident	89.9	Confident	18 Å²	18	29.8 Å²	29.8	19%	0.186	16%	0.155	C	C	.	.			trans	-92.7	123.6	176.5	0	0	0	0	0	112.3	I303 I304	G300-I303 WeakPolarHBondContact O-CB 3.19Å; G300-I303 PolarHBondContact O-N 3.28Å; G300-I304 PolarHBondContact O-N 2.94Å
301	M	84	Confident	89.6	Confident	77 Å²	77	31.8 Å²	31.8	38%	0.379	16%	0.164	S	C	.	.	H	α-helix	trans	-62.3	-47.2	178.7	-170.4	137.7	81.2	0	0	112.4	I303 I304 E305 G341 L345	M301-I303 PolarHBondContact O-N 2.95Å; M301-I303 VanDerWaalsContact O-N 3.14Å; M301-I304 PolarHBondContact O-N 3.16Å; M301-E305 WeakPolarHBondContact O-CG 3.36Å; M301-E305 PolarHBondContact O-N 3.5Å; M301-G341 VanDerWaalsContact SD-C 3.51Å; M301-G341 WeakPolarHBondContact SD-CA 3.42Å; M301-L345 HydrophobicContact CG-CD1 4.17Å; M301-L345 HydrophobicContact SD-CD1 4.24Å
302	N	86.6	Confident	89.2	Confident	118 Å²	118	38.9 Å²	38.9	63%	0.631	19%	0.19	S	C	*	.	H	α-helix	trans	-56.4	-32.9	176.9	-60.4	-2.1	0	0	0	112.2	K306	N302-K306 WeakPolarHBondContact O-CB 3.26Å; N302-K306 PolarHBondContact O-N 3.31Å; N302-K306 VanDerWaalsContact O-N 3.08Å
303	I	88.6	Confident	88.7	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-45.6	177.8	-68.8	172.2	0	0	0	110.7	E275 L276 I279 I298 G300 M301 E305 K306 I307	E275-I303 HydrophobicContact CB-CD1 4.13Å; E275-I303 HydrophobicContact CG-CD1 3.72Å; E275-I303 VanDerWaalsContact OE2-CD1 3.31Å; E275-I303 WeakPolarHBondContact OE2-CD1 3.15Å; L276-I303 HydrophobicContact CD1-CG1 4.31Å; I279-I303 HydrophobicContact CD1-CB 4.2Å; I279-I303 HydrophobicContact CD1-CD1 4.18Å; I279-I303 HydrophobicContact CD1-CG1 4.19Å; I279-I303 HydrophobicContact CD1-CG2 3.05Å; I279-I303 HydrophobicContact CG1-CG2 4.44Å; I298-I303 HydrophobicContact CD1-CG2 4.38Å; I298-I303 HydrophobicContact CG2-CB 4.05Å; I298-I303 HydrophobicContact CG2-CG2 3.53Å; G300-I303 WeakPolarHBondContact O-CB 3.19Å; G300-I303 PolarHBondContact O-N 3.28Å; M301-I303 PolarHBondContact O-N 2.95Å; M301-I303 VanDerWaalsContact O-N 3.14Å; I303-E305 VanDerWaalsContact C-N 3.34Å; I303-K306 WeakPolarHBondContact O-CB 3.5Å; I303-K306 PolarHBondContact O-N 3.19Å; I303-I307 HydrophobicContact CG2-CD1 3.81Å; I303-I307 WeakPolarHBondContact O-CG1 3.26Å; I303-I307 PolarHBondContact O-N 3.27Å
304	I	90.4	Very high	87.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-40.7	179.4	-61.7	-177.9	0	0	0	110.7	I298 G300 M301 K306 I307 S308 V321 C323 F342 L345 I351	I298-I304 HydrophobicContact CB-CG1 4.32Å; I298-I304 HydrophobicContact CG2-CD1 4.03Å; I298-I304 HydrophobicContact CG2-CG1 3.49Å; I298-I304 VanDerWaalsContact CG2-CG1 3.49Å; G300-I304 PolarHBondContact O-N 2.94Å; M301-I304 PolarHBondContact O-N 3.16Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 3.39Å; I304-I307 PolarHBondContact O-N 3.18Å; I304-S308 VanDerWaalsContact O-CB 3.3Å; I304-S308 WeakPolarHBondContact O-CB 3.27Å; I304-S308 PolarHBondContact O-N 2.74Å; I304-V321 HydrophobicContact CD1-CG1 4.12Å; I304-V321 HydrophobicContact CG1-CG1 4.09Å; I304-C323 VanDerWaalsContact CD1-SG 3.59Å; I304-F342 HydrophobicContact CD1-CD1 3.7Å; I304-F342 HydrophobicContact CD1-CE1 3.29Å; I304-F342 HydrophobicContact CD1-CZ 4.36Å; I304-L345 HydrophobicContact CB-CD1 4.14Å; I304-L345 HydrophobicContact CG2-CD1 3.8Å; I304-I351 HydrophobicContact CD1-CD1 3.86Å; I304-I351 HydrophobicContact CD1-CG1 4.06Å; I304-I351 HydrophobicContact CG2-CD1 4.42Å; I304-I351 HydrophobicContact CG2-CG1 3.95Å
305	E	90	Very high	86.2	Confident	90 Å²	90	53.6 Å²	53.6	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-56.6	-47.1	173.4	-71.6	178.3	171	0	0	110.7	M301 I303 I307 S308 E309	M301-E305 WeakPolarHBondContact O-CG 3.36Å; M301-E305 PolarHBondContact O-N 3.5Å; I303-E305 VanDerWaalsContact C-N 3.34Å; E305-I307 PolarHBondContact O-N 3.04Å; E305-S308 WeakPolarHBondContact O-CB 3.31Å; E305-S308 PolarHBondContact O-N 2.87Å; E305-S308 VanDerWaalsContact O-N 3.16Å; E305-E309 WeakPolarHBondContact O-CG 3.29Å; E305-E309 PolarHBondContact O-N 2.86Å
306	K	91.5	Very high	84.8	Confident	65 Å²	65	56.8 Å²	56.8	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-42.5	177.2	-173	66.6	-177.4	-158	0	113.2	L276 E280 N302 I303 I304 S308 E309 A310	L276-K306 HydrophobicContact CD1-CB 3.85Å; L276-K306 HydrophobicContact CD1-CG 3.93Å; E280-K306 HydrophobicContact CG-CG 4.43Å; E280-K306 WeakPolarHBondContact OE1-CE 3.01Å; E280-K306 IonicContact OE1-NZ 2.66Å; E280-K306 PolarHBondContact OE1-NZ 2.98Å; N302-K306 WeakPolarHBondContact O-CB 3.26Å; N302-K306 PolarHBondContact O-N 3.31Å; N302-K306 VanDerWaalsContact O-N 3.08Å; I303-K306 WeakPolarHBondContact O-CB 3.5Å; I303-K306 PolarHBondContact O-N 3.19Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 3.39Å; K306-S308 VanDerWaalsContact C-N 3.3Å; K306-E309 WeakPolarHBondContact O-CB 3.29Å; K306-E309 PolarHBondContact O-N 3.49Å; K306-A310 PolarHBondContact O-N 3.05Å
307	I	92.6	Very high	84.1	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-40.5	176	-68.4	164.8	0	0	0	110.4	I279 I283 F295 I298 I303 I304 E305 A310 K311 I319 V321	I279-I307 HydrophobicContact CG2-CD1 4.21Å; I279-I307 HydrophobicContact CG2-CG1 3.78Å; I283-I307 HydrophobicContact CD1-CG1 4.25Å; F295-I307 HydrophobicContact CB-CD1 3.97Å; F295-I307 HydrophobicContact CD2-CD1 3.59Å; F295-I307 HydrophobicContact CD2-CG1 3.92Å; F295-I307 HydrophobicContact CD2-CG2 4.18Å; F295-I307 HydrophobicContact CE2-CD1 4.21Å; F295-I307 HydrophobicContact CE2-CG1 4.12Å; F295-I307 HydrophobicContact CG-CD1 3.84Å; I298-I307 HydrophobicContact CG1-CD1 4.44Å; I303-I307 HydrophobicContact CG2-CD1 3.81Å; I303-I307 WeakPolarHBondContact O-CG1 3.26Å; I303-I307 PolarHBondContact O-N 3.27Å; I304-I307 PolarHBondContact O-N 3.18Å; E305-I307 PolarHBondContact O-N 3.04Å; I307-A310 WeakPolarHBondContact O-CB 3.42Å; I307-A310 PolarHBondContact O-N 3.24Å; I307-K311 PolarHBondContact O-N 3.47Å; I307-I319 HydrophobicContact CG2-CB 4.47Å; I307-I319 HydrophobicContact CG2-CG2 3.43Å; I307-I319 VanDerWaalsContact CG2-CG2 3.43Å; I307-V321 HydrophobicContact CB-CG2 3.94Å; I307-V321 HydrophobicContact CD1-CG2 3.86Å; I307-V321 HydrophobicContact CG1-CG2 4.5Å; I307-V321 HydrophobicContact CG2-CG2 3.37Å
308	S	90.9	Very high	84	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-40.2	177.7	179.2	0	0	0	0	112.2	I304 E305 K306 A310 K311 R312 D350	I304-S308 VanDerWaalsContact O-CB 3.3Å; I304-S308 WeakPolarHBondContact O-CB 3.27Å; I304-S308 PolarHBondContact O-N 2.74Å; E305-S308 WeakPolarHBondContact O-CB 3.31Å; E305-S308 PolarHBondContact O-N 2.87Å; E305-S308 VanDerWaalsContact O-N 3.16Å; K306-S308 VanDerWaalsContact C-N 3.3Å; S308-A310 VanDerWaalsContact C-N 3.3Å; S308-A310 PolarHBondContact O-N 2.91Å; S308-K311 WeakPolarHBondContact O-CB 3.26Å; S308-K311 PolarHBondContact O-N 2.81Å; S308-R312 WeakPolarHBondContact O-CG 3.28Å; S308-R312 PolarHBondContact O-N 3.32Å; S308-R312 PolarHBondContact OG-NE 3.16Å; S308-R312 PolarHBondContact OG-NH1 3.4Å; S308-R312 VanDerWaalsContact OG-NH1 3.15Å; S308-R312 PolarHBondContact OG-NH2 3.19Å; S308-D350 PolarHBondContact OG-OD1 3.44Å; S308-D350 PolarHBondContact OG-OD2 2.83Å
309	E	91	Very high	84.1	Confident	109 Å²	109	57.3 Å²	57.3	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-55	-45.3	171	-73.3	177.8	176.4	0	0	111.9	E305 K306 R312	E305-E309 WeakPolarHBondContact O-CG 3.29Å; E305-E309 PolarHBondContact O-N 2.86Å; K306-E309 WeakPolarHBondContact O-CB 3.29Å; K306-E309 PolarHBondContact O-N 3.49Å; E309-R312 PolarHBondContact O-N 2.96Å
310	A	89.6	Confident	84.7	Confident	5 Å²	5	53.4 Å²	53.4	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-42.7	177.3	0	0	0	0	0	111.8	I283 K306 I307 S308 R312 Q313 I317 I319	I283-A310 HydrophobicContact CD1-CB 3.98Å; I283-A310 HydrophobicContact CG2-CB 3.81Å; K306-A310 PolarHBondContact O-N 3.05Å; I307-A310 WeakPolarHBondContact O-CB 3.42Å; I307-A310 PolarHBondContact O-N 3.24Å; S308-A310 VanDerWaalsContact C-N 3.3Å; S308-A310 PolarHBondContact O-N 2.91Å; A310-R312 VanDerWaalsContact C-N 3.28Å; A310-R312 PolarHBondContact O-N 2.81Å; A310-Q313 WeakPolarHBondContact O-CB 3.33Å; A310-Q313 WeakPolarHBondContact O-CG 3.27Å; A310-Q313 PolarHBondContact O-N 3.03Å; A310-I317 HydrophobicContact CB-CD1 4.34Å; A310-I317 WeakPolarHBondContact O-CD1 3.43Å; A310-I317 VanDerWaalsContact O-CG1 3.29Å; A310-I317 WeakPolarHBondContact O-CG1 3.43Å; A310-I319 HydrophobicContact CB-CD1 3.99Å
311	K	86.9	Confident	85.3	Confident	47 Å²	47	52.7 Å²	52.7	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-33.8	177.9	-175.2	-175.3	176.8	-172.5	0	113.1	I307 S308 Q313 G349	I307-K311 PolarHBondContact O-N 3.47Å; S308-K311 WeakPolarHBondContact O-CB 3.26Å; S308-K311 PolarHBondContact O-N 2.81Å; K311-Q313 VanDerWaalsContact C-N 3.27Å; K311-Q313 PolarHBondContact O-N 3.17Å; K311-G349 PolarHBondContact NZ-O 2.75Å
312	R	86.1	Confident	85.6	Confident	152 Å²	152	49.1 Å²	49.1	57%	0.574	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.9	180	-68.7	176.2	-167.5	129.3	-0.4	114.4	S308 E309 A310 D350	S308-R312 WeakPolarHBondContact O-CG 3.28Å; S308-R312 PolarHBondContact O-N 3.32Å; S308-R312 PolarHBondContact OG-NE 3.16Å; S308-R312 PolarHBondContact OG-NH1 3.4Å; S308-R312 VanDerWaalsContact OG-NH1 3.15Å; S308-R312 PolarHBondContact OG-NH2 3.19Å; E309-R312 PolarHBondContact O-N 2.96Å; A310-R312 VanDerWaalsContact C-N 3.28Å; A310-R312 PolarHBondContact O-N 2.81Å; R312-D350 IonicContact CZ-OD1 2.8Å; R312-D350 IonicContact CZ-OD2 3.26Å; R312-D350 IonicContact NH2-OD1 2.78Å; R312-D350 PolarHBondContact NH2-OD1 3.2Å; R312-D350 IonicContact NH2-OD2 2.75Å; R312-D350 PolarHBondContact NH2-OD2 3.27Å
313	Q	83	Confident	85.6	Confident	107 Å²	107	43.5 Å²	43.5	50%	0.5	21%	0.211	S	C	.	.	S	Bend	trans	-61.5	156.6	173.9	-64.5	-175.8	14.5	0	0	111.1	A310 K311 P315 P316 I317	A310-Q313 WeakPolarHBondContact O-CB 3.33Å; A310-Q313 WeakPolarHBondContact O-CG 3.27Å; A310-Q313 PolarHBondContact O-N 3.03Å; K311-Q313 VanDerWaalsContact C-N 3.27Å; K311-Q313 PolarHBondContact O-N 3.17Å; Q313-P315 CarbonylContact C-O 3.51Å; Q313-P315 CarbonylContact O-C 3.46Å; Q313-P315 VanDerWaalsContact O-O 3.06Å; Q313-P316 WeakPolarHBondContact O-CA 3.28Å; Q313-P316 VanDerWaalsContact O-N 3.12Å; Q313-I317 HydrophobicContact CB-CD1 4.23Å; Q313-I317 HydrophobicContact CB-CG1 4.21Å; Q313-I317 HydrophobicContact CG-CD1 4.37Å
314	I	74.4	Confident	85.5	Confident	168 Å²	168	43.8 Å²	43.8	86%	0.862	21%	0.213	S	C	*	.	S	Bend	trans	-114.3	122.9	-179.6	-60.6	176.3	0	0	0	109
315	P	65.9	Low	85.1	Confident	43 Å²	43	43.8 Å²	43.8	28%	0.279	21%	0.213	S	C	.	.	S	Bend	cis	-68.5	156.6	-5.1	29.6	-32.4	0	0	0	112.1	Q313 I317 F501	Q313-P315 CarbonylContact C-O 3.51Å; Q313-P315 CarbonylContact O-C 3.46Å; Q313-P315 VanDerWaalsContact O-O 3.06Å; P315-I317 PolarHBondContact O-N 3.41Å; P315-F501 HydrophobicContact CB-CD2 4.19Å; P315-F501 HydrophobicContact CB-CE2 4.46Å; P315-F501 HydrophobicContact CG-CD1 4.36Å; P315-F501 HydrophobicContact CG-CD2 3.15Å; P315-F501 HydrophobicContact CG-CE1 4.28Å; P315-F501 HydrophobicContact CG-CE2 3.08Å; P315-F501 HydrophobicContact CG-CG 3.83Å; P315-F501 HydrophobicContact CG-CZ 3.69Å
316	P	65.7	Low	84.6	Confident	67 Å²	67	42.9 Å²	42.9	44%	0.435	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-59	135.5	-175.8	24.4	-34	0	0	0	111.1	Q313	Q313-P316 WeakPolarHBondContact O-CA 3.28Å; Q313-P316 VanDerWaalsContact O-N 3.12Å
317	I	79.1	Confident	84	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.072	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-83.7	136.1	174.5	-43.2	-179.5	0	0	0	108.2	T287 A310 Q313 P315 I319	T287-I317 HydrophobicContact CG2-CD1 4.28Å; A310-I317 HydrophobicContact CB-CD1 4.34Å; A310-I317 WeakPolarHBondContact O-CD1 3.43Å; A310-I317 VanDerWaalsContact O-CG1 3.29Å; A310-I317 WeakPolarHBondContact O-CG1 3.43Å; Q313-I317 HydrophobicContact CB-CD1 4.23Å; Q313-I317 HydrophobicContact CB-CG1 4.21Å; Q313-I317 HydrophobicContact CG-CD1 4.37Å; P315-I317 PolarHBondContact O-N 3.41Å; I317-I319 HydrophobicContact CB-CD1 3.93Å; I317-I319 HydrophobicContact CB-CG1 4.2Å; I317-I319 HydrophobicContact CD1-CD1 4.42Å; I317-I319 HydrophobicContact CG2-CD1 3.51Å; I317-I319 HydrophobicContact CG2-CG1 3.68Å; I317-I319 PolarHBondContact O-N 3.11Å
318	H	84.6	Confident	83.4	Confident	17 Å²	17	40.6 Å²	40.6	8%	0.079	20%	0.204	C	C	.	.			trans	-76	64.9	179.6	-61.3	-50.6	0	0	0	111.8	P292 I293 Q497 V498	P292-H318 CarbonylContact C-O 3.53Å; P292-H318 VanDerWaalsContact CA-O 3.31Å; P292-H318 WeakPolarHBondContact CA-O 3.26Å; P292-H318 HydrophobicContact CB-CB 3.66Å; I293-H318 PolarHBondContact N-O 3.48Å; H318-Q497 WeakPolarHBondContact CE1-CB 3.28Å; H318-Q497 PolarHBondContact CE1-OE1 2.97Å; H318-Q497 PolarHBondContact ND1-OE1 3.4Å; H318-Q497 VanDerWaalsContact NE2-C 3.27Å; H318-Q497 WeakPolarHBondContact NE2-CB 3.38Å; H318-Q497 PolarHBondContact NE2-O 3Å; H318-V498 HydrophobicContact CB-CG2 4.25Å; H318-V498 WeakPolarHBondContact CD2-CG2 2.99Å; H318-V498 PolarHBondContact NE2-N 2.71Å
319	I	88.5	Confident	82.4	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127	178.5	-56.6	164.2	0	0	0	108.5	I283 I293 F295 I307 A310 I317	I283-I319 HydrophobicContact CB-CD1 4.42Å; I283-I319 HydrophobicContact CG1-CD1 4.03Å; I283-I319 HydrophobicContact CG2-CD1 3.9Å; I293-I319 HydrophobicContact CD1-CG1 4.18Å; I293-I319 HydrophobicContact CD1-CG2 4.38Å; I293-I319 HydrophobicContact CG1-CB 4.4Å; I293-I319 HydrophobicContact CG1-CG1 3.82Å; I293-I319 HydrophobicContact CG1-CG2 4.19Å; I293-I319 WeakPolarHBondContact O-CA 3.09Å; F295-I319 HydrophobicContact CD2-CG2 3.68Å; F295-I319 HydrophobicContact CE2-CG2 3.73Å; I307-I319 HydrophobicContact CG2-CB 4.47Å; I307-I319 HydrophobicContact CG2-CG2 3.43Å; I307-I319 VanDerWaalsContact CG2-CG2 3.43Å; A310-I319 HydrophobicContact CB-CD1 3.99Å; I317-I319 HydrophobicContact CB-CD1 3.93Å; I317-I319 HydrophobicContact CB-CG1 4.2Å; I317-I319 HydrophobicContact CD1-CD1 4.42Å; I317-I319 HydrophobicContact CG2-CD1 3.51Å; I317-I319 HydrophobicContact CG2-CG1 3.68Å; I317-I319 PolarHBondContact O-N 3.11Å
320	T	89.5	Confident	80.9	Confident	14 Å²	14	41.7 Å²	41.7	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.4	178.5	-61.7	0	0	0	0	110.4	I293 I294 F295 K352 Y406	I293-T320 PolarHBondContact O-N 3.41Å; I294-T320 CarbonylContact C-O 3.53Å; I294-T320 WeakPolarHBondContact CA-O 3.11Å; I294-T320 HydrophobicContact CG2-CG2 4.33Å; F295-T320 PolarHBondContact N-O 3.18Å; T320-K352 HydrophobicContact CG2-CB 3.54Å; T320-K352 HydrophobicContact CG2-CG 3.75Å; T320-Y406 HydrophobicContact CG2-CE1 4.34Å; T320-Y406 HydrophobicContact CG2-CE2 4.21Å; T320-Y406 VanDerWaalsContact CG2-OH 3.25Å; T320-Y406 WeakPolarHBondContact CG2-OH 3.42Å; T320-Y406 PolarHBondContact OG1-OH 3.11Å
321	V	91.5	Very high	79.2	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.7	173.2	-176.6	0	0	0	0	110.4	F295 I298 I304 I307 I351 K352	F295-V321 WeakPolarHBondContact O-CA 3.45Å; I298-V321 HydrophobicContact CB-CG1 4.09Å; I298-V321 HydrophobicContact CG1-CG1 4.25Å; I304-V321 HydrophobicContact CD1-CG1 4.12Å; I304-V321 HydrophobicContact CG1-CG1 4.09Å; I307-V321 HydrophobicContact CB-CG2 3.94Å; I307-V321 HydrophobicContact CD1-CG2 3.86Å; I307-V321 HydrophobicContact CG1-CG2 4.5Å; I307-V321 HydrophobicContact CG2-CG2 3.37Å; V321-I351 HydrophobicContact CB-CG1 4.5Å; V321-I351 HydrophobicContact CG1-CG1 4.31Å; V321-K352 PolarHBondContact O-N 3.38Å
322	C	90.7	Very high	77.2	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.6	168.5	-175.4	0	0	0	0	109.1	I294 F295 T296 S297 I298 L353 S355	I294-C322 HydrophobicContact CG2-CB 4.23Å; F295-C322 PolarHBondContact O-N 2.76Å; T296-C322 CarbonylContact C-O 3.49Å; S297-C322 PolarHBondContact N-O 2.98Å; I298-C322 PolarHBondContact N-O 2.92Å; C322-L353 WeakPolarHBondContact CA-O 3.33Å; C322-L353 HydrophobicContact CB-CB 3.83Å; C322-L353 HydrophobicContact CB-CD1 4.33Å; C322-L353 VanDerWaalsContact SG-CB 3.52Å; C322-S355 PolarHBondContact SG-OG 2.74Å; C322-S355 VanDerWaalsContact SG-OG 3.35Å
323	C	87.6	Confident	75.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	166.3	177.9	-67.3	0	0	0	0	110.8	I298 I304 I351 L353 I354 S355	I298-C323 PolarHBondContact O-SG 2.93Å; I304-C323 VanDerWaalsContact CD1-SG 3.59Å; C323-I351 HydrophobicContact CB-CG2 4.22Å; C323-L353 PolarHBondContact N-O 3.06Å; C323-I354 WeakPolarHBondContact O-CA 3.41Å; C323-S355 PolarHBondContact O-N 2.94Å; C323-S355 PolarHBondContact O-OG 2.84Å
324	T	86.5	Confident	73.1	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	155.2	175.6	76.9	0	0	0	0	110.5	N326 S327 S355 D357	T324-N326 PolarHBondContact O-N 3.42Å; T324-N326 PolarHBondContact OG1-N 3.15Å; T324-S327 PolarHBondContact N-OG 2.79Å; T324-S327 VanDerWaalsContact O-CB 3.31Å; T324-S327 WeakPolarHBondContact O-CB 3.44Å; T324-S327 PolarHBondContact O-N 3.43Å; T324-S327 VanDerWaalsContact O-N 3.14Å; T324-S327 PolarHBondContact O-OG 2.88Å; T324-S327 VanDerWaalsContact O-OG 3.12Å; T324-S327 PolarHBondContact OG1-N 3.33Å; T324-S327 PolarHBondContact OG1-OG 3.3Å; T324-S355 CarbonylContact C-O 3.59Å; T324-S355 WeakPolarHBondContact CA-O 3.05Å; T324-D357 HydrophobicContact CG2-CB 3.59Å
325	S	82.1	Confident	71.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.5	173	54.5	0	0	0	0	112.4	S327 L328 S355 T379	S325-S327 PolarHBondContact O-N 3.27Å; S325-L328 WeakPolarHBondContact O-CB 3.23Å; S325-L328 PolarHBondContact O-N 2.66Å; S325-L328 VanDerWaalsContact O-N 3.15Å; S325-S355 PolarHBondContact N-O 3.27Å; S325-T379 VanDerWaalsContact O-CG2 3.23Å; S325-T379 WeakPolarHBondContact O-CG2 3.31Å
326	N	78.7	Confident	69.9	Low	72 Å²	72	52.7 Å²	52.7	39%	0.385	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-63.2	-29.5	177.3	-70	-10.8	0	0	0	112.4	T324 L328 L329	T324-N326 PolarHBondContact O-N 3.42Å; T324-N326 PolarHBondContact OG1-N 3.15Å; N326-L328 PolarHBondContact O-N 2.91Å; N326-L329 PolarHBondContact O-N 3.08Å
327	S	79.9	Confident	68.7	Low	17 Å²	17	57 Å²	57	12%	0.119	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63.5	-12	176.9	-38.2	0	0	0	0	113.2	N299 T324 S325 F342	N299-S327 PolarHBondContact OD1-OG 3.21Å; T324-S327 PolarHBondContact N-OG 2.79Å; T324-S327 VanDerWaalsContact O-CB 3.31Å; T324-S327 WeakPolarHBondContact O-CB 3.44Å; T324-S327 PolarHBondContact O-N 3.43Å; T324-S327 VanDerWaalsContact O-N 3.14Å; T324-S327 PolarHBondContact O-OG 2.88Å; T324-S327 VanDerWaalsContact O-OG 3.12Å; T324-S327 PolarHBondContact OG1-N 3.33Å; T324-S327 PolarHBondContact OG1-OG 3.3Å; S325-S327 PolarHBondContact O-N 3.27Å; S327-F342 VanDerWaalsContact O-CD2 3.22Å; S327-F342 WeakPolarHBondContact O-CD2 3.12Å
328	L	78.7	Confident	67.1	Low	2 Å²	2	62.2 Å²	62.2	1%	0.01	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-95	-11.9	-179.6	-53.6	-179.3	0	0	0	114	S325 N326 N340 F342 L346 I354 T379 T380 A383	S325-L328 WeakPolarHBondContact O-CB 3.23Å; S325-L328 PolarHBondContact O-N 2.66Å; S325-L328 VanDerWaalsContact O-N 3.15Å; N326-L328 PolarHBondContact O-N 2.91Å; L328-N340 VanDerWaalsContact O-CG 3.31Å; L328-N340 PolarHBondContact O-ND2 3.18Å; L328-N340 PolarHBondContact O-OD1 2.95Å; L328-F342 HydrophobicContact CD2-CB 4.16Å; L328-L346 HydrophobicContact CD2-CD1 3.49Å; L328-L346 VanDerWaalsContact CD2-CD1 3.49Å; L328-I354 HydrophobicContact CD1-CD1 3.92Å; L328-T379 HydrophobicContact CB-CG2 4.47Å; L328-T380 HydrophobicContact CD1-CG2 4.27Å; L328-A383 HydrophobicContact CB-CB 3.85Å; L328-A383 HydrophobicContact CD1-CB 4.47Å
329	L	70.7	Confident	65.6	Low	85 Å²	85	64.6 Å²	64.6	45%	0.445	34%	0.344	S	S	.	.	S	Bend	trans	-90.3	130.1	177.5	-64.3	174.4	0	0	0	108.3	N326 E331 T379	N326-L329 PolarHBondContact O-N 3.08Å; L329-E331 PolarHBondContact O-N 3.05Å; L329-T379 HydrophobicContact CD1-CG2 4.01Å; L329-T379 HydrophobicContact CD2-CG2 3.88Å; L329-T379 HydrophobicContact CG-CG2 3.72Å
330	S	59.1	Low	64.5	Low	50 Å²	50	66.5 Å²	66.5	35%	0.35	35%	0.354	S	S	.	.			trans	-64.7	110.6	171.8	-50.5	0	0	0	0	107.6	N340	S330-N340 VanDerWaalsContact CA-OD1 3.32Å; S330-N340 WeakPolarHBondContact CA-OD1 3.32Å; S330-N340 WeakPolarHBondContact CB-OD1 3.34Å; S330-N340 PolarHBondContact N-OD1 3.18Å; S330-N340 VanDerWaalsContact N-OD1 3.08Å; S330-N340 PolarHBondContact OG-OD1 3.02Å
331	E	53.4	Low	63.9	Low	126 Å²	126	66.8 Å²	66.8	59%	0.589	36%	0.36	S	S	*	.			trans	-69.2	140.8	162.9	-64.7	-163.4	157	0	0	107.9	L329 P333	L329-E331 PolarHBondContact O-N 3.05Å; E331-P333 HydrophobicContact CB-CG 4.36Å; E331-P333 WeakPolarHBondContact O-CD 3.39Å
332	I	44.8	Very low	63.7	Low	108 Å²	108	67.8 Å²	67.8	55%	0.554	36%	0.364	S	S	*	.			trans	-105.7	79.3	165.8	-52.9	172	0	0	0	107	H334	I332-H334 PolarHBondContact O-N 3.39Å
333	P	43.7	Very low	63.6	Low	50 Å²	50	68 Å²	68	33%	0.325	37%	0.365	S	S	.	.	S	Bend	trans	-69.1	129.8	160.7	-1.7	17.6	0	0	0	108	E331 N335 Q336 F338	E331-P333 HydrophobicContact CB-CG 4.36Å; E331-P333 WeakPolarHBondContact O-CD 3.39Å; P333-N335 PolarHBondContact O-N 2.98Å; P333-Q336 PolarHBondContact O-N 3.46Å; P333-Q336 VanDerWaalsContact O-N 3.1Å; P333-F338 HydrophobicContact CG-CD2 4.45Å
334	H	40.6	Very low	63.7	Low	182 Å²	182	70.2 Å²	70.2	84%	0.843	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	37.7	166.3	-53.7	-65.2	0	0	0	116.7	I332 Q336	I332-H334 PolarHBondContact O-N 3.39Å; H334-Q336 PolarHBondContact O-N 3.37Å; H334-Q336 VanDerWaalsContact O-N 3.12Å
335	N	38.3	Very low	63.9	Low	159 Å²	159	70.6 Å²	70.6	85%	0.85	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	16	-177.7	-71	-17.2	0	0	0	114.8	P333	P333-N335 PolarHBondContact O-N 2.98Å
336	Q	35.1	Very low	64.3	Low	127 Å²	127	70.7 Å²	70.7	59%	0.593	38%	0.381	S	S	*	.			trans	-101.3	115.3	168.7	-73	-176.2	-4.4	0	0	108.8	P333 H334 F338	P333-Q336 PolarHBondContact O-N 3.46Å; P333-Q336 VanDerWaalsContact O-N 3.1Å; H334-Q336 PolarHBondContact O-N 3.37Å; H334-Q336 VanDerWaalsContact O-N 3.12Å; Q336-F338 HydrophobicContact CB-CE2 4.09Å; Q336-F338 PolarHBondContact O-N 3.15Å
337	Q	39.1	Very low	64.9	Low	157 Å²	157	69.8 Å²	69.8	73%	0.734	38%	0.378	S	S	*	.			trans	-80.3	104.1	175.6	-162.1	175.1	10.6	0	0	107.7	G339	Q337-G339 PolarHBondContact O-N 3.15Å
338	F	47.1	Very low	65.4	Low	124 Å²	124	74.7 Å²	74.7	54%	0.544	40%	0.403	S	S	.	.			trans	-77.7	121.7	169	-72.9	-84.8	0	0	0	108.1	P333 Q336	P333-F338 HydrophobicContact CG-CD2 4.45Å; Q336-F338 HydrophobicContact CB-CE2 4.09Å; Q336-F338 PolarHBondContact O-N 3.15Å
339	G	52.8	Low	65.9	Low	67 Å²	67	75.1 Å²	75.1	69%	0.691	41%	0.408	S	S	*	.			trans	-57.9	145.4	172.7	0	0	0	0	0	110.3	Q337 G341	Q337-G339 PolarHBondContact O-N 3.15Å; G339-G341 VanDerWaalsContact C-N 3.31Å; G339-G341 PolarHBondContact O-N 2.93Å
340	N	64.2	Low	66.9	Low	43 Å²	43	71.8 Å²	71.8	23%	0.23	39%	0.391	C	S	.	.			trans	-64.9	86.7	178.9	-77.5	-6.6	0	0	0	111.4	L328 S330 F342 L343	L328-N340 VanDerWaalsContact O-CG 3.31Å; L328-N340 PolarHBondContact O-ND2 3.18Å; L328-N340 PolarHBondContact O-OD1 2.95Å; S330-N340 VanDerWaalsContact CA-OD1 3.32Å; S330-N340 WeakPolarHBondContact CA-OD1 3.32Å; S330-N340 WeakPolarHBondContact CB-OD1 3.34Å; S330-N340 PolarHBondContact N-OD1 3.18Å; S330-N340 VanDerWaalsContact N-OD1 3.08Å; S330-N340 PolarHBondContact OG-OD1 3.02Å; N340-F342 PolarHBondContact O-N 3.03Å; N340-F342 VanDerWaalsContact O-N 3.15Å; N340-L343 HydrophobicContact CB-CD1 3.7Å; N340-L343 HydrophobicContact CB-CG 4Å; N340-L343 PolarHBondContact O-N 3.37Å
341	G	77.4	Confident	68.5	Low	20 Å²	20	69.4 Å²	69.4	21%	0.206	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.5	-178	0	0	0	0	0	114.6	M301 G339 P344	M301-G341 VanDerWaalsContact SD-C 3.51Å; M301-G341 WeakPolarHBondContact SD-CA 3.42Å; G339-G341 VanDerWaalsContact C-N 3.31Å; G339-G341 PolarHBondContact O-N 2.93Å; G341-P344 WeakPolarHBondContact O-CD 3.35Å
342	F	87	Confident	70.4	Confident	23 Å²	23	66.4 Å²	66.4	10%	0.101	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-27.3	-178.2	-68.3	-95.6	0	0	0	114.3	N299 I304 S327 L328 N340 L345 L346 I351	N299-F342 VanDerWaalsContact O-CZ 3.29Å; N299-F342 WeakPolarHBondContact O-CZ 3.43Å; I304-F342 HydrophobicContact CD1-CD1 3.7Å; I304-F342 HydrophobicContact CD1-CE1 3.29Å; I304-F342 HydrophobicContact CD1-CZ 4.36Å; S327-F342 VanDerWaalsContact O-CD2 3.22Å; S327-F342 WeakPolarHBondContact O-CD2 3.12Å; L328-F342 HydrophobicContact CD2-CB 4.16Å; N340-F342 PolarHBondContact O-N 3.03Å; N340-F342 VanDerWaalsContact O-N 3.15Å; F342-L345 PolarHBondContact O-N 3.38Å; F342-L346 WeakPolarHBondContact O-CG 3.39Å; F342-L346 PolarHBondContact O-N 3.24Å; F342-I351 HydrophobicContact CB-CD1 4.34Å; F342-I351 HydrophobicContact CD1-CD1 3.7Å
343	L	88.4	Confident	72.8	Confident	7 Å²	7	61.3 Å²	61.3	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-47.6	-175.4	-69.7	171.1	0	0	0	111.8	N340 L345 L346 T347 W389	N340-L343 HydrophobicContact CB-CD1 3.7Å; N340-L343 HydrophobicContact CB-CG 4Å; N340-L343 PolarHBondContact O-N 3.37Å; L343-L345 VanDerWaalsContact C-N 3.25Å; L343-L345 PolarHBondContact O-N 3.19Å; L343-L346 HydrophobicContact CD2-CD1 4.25Å; L343-L346 WeakPolarHBondContact O-CB 2.91Å; L343-L346 PolarHBondContact O-N 3.41Å; L343-T347 WeakPolarHBondContact O-CG2 3.31Å; L343-T347 PolarHBondContact O-N 3.15Å; L343-T347 VanDerWaalsContact O-N 3.07Å; L343-W389 HydrophobicContact CB-CB 4.26Å; L343-W389 HydrophobicContact CB-CD2 3.93Å; L343-W389 HydrophobicContact CB-CE3 4.23Å; L343-W389 HydrophobicContact CB-CG 3.93Å; L343-W389 HydrophobicContact CD1-CD2 4.42Å; L343-W389 HydrophobicContact CD1-CG 3.93Å; L343-W389 HydrophobicContact CD2-CB 4.34Å; L343-W389 HydrophobicContact CG-CG 4.37Å
344	P	90.2	Very high	75.2	Confident	46 Å²	46	59 Å²	59	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	-58.4	-32.3	173.6	-25	33.5	0	0	0	114.8	G341 T347 N348 W389	G341-P344 WeakPolarHBondContact O-CD 3.35Å; P344-T347 WeakPolarHBondContact CA-OG1 3.48Å; P344-T347 PolarHBondContact O-OG1 2.84Å; P344-N348 WeakPolarHBondContact O-CB 3.21Å; P344-N348 VanDerWaalsContact O-CG 3.24Å; P344-N348 PolarHBondContact O-N 2.99Å; P344-N348 VanDerWaalsContact O-N 3.11Å; P344-N348 PolarHBondContact O-ND2 2.81Å; P344-W389 HydrophobicContact CB-CZ3 4.43Å; P344-W389 HydrophobicContact CG-CH2 4.09Å; P344-W389 HydrophobicContact CG-CZ3 3.84Å
345	L	90.7	Very high	77.7	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-78.2	-28.1	-179.1	-61.7	173.5	0	0	0	111.9	M301 I304 F342 L343 G349 D350 I351	M301-L345 HydrophobicContact CG-CD1 4.17Å; M301-L345 HydrophobicContact SD-CD1 4.24Å; I304-L345 HydrophobicContact CB-CD1 4.14Å; I304-L345 HydrophobicContact CG2-CD1 3.8Å; F342-L345 PolarHBondContact O-N 3.38Å; L343-L345 VanDerWaalsContact C-N 3.25Å; L343-L345 PolarHBondContact O-N 3.19Å; L345-G349 PolarHBondContact O-N 2.95Å; L345-D350 HydrophobicContact CB-CB 4.39Å; L345-D350 HydrophobicContact CD2-CB 4.39Å; L345-D350 PolarHBondContact O-N 3.16Å; L345-I351 HydrophobicContact CB-CD1 3.65Å; L345-I351 HydrophobicContact CB-CG1 4.1Å; L345-I351 PolarHBondContact O-N 2.86Å; L345-I351 VanDerWaalsContact O-N 3.16Å
346	L	91.5	Very high	80.3	Confident	3 Å²	3	43 Å²	43	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-46.5	169.6	-70.6	168.2	0	0	0	111.1	L328 F342 L343 N348 G349 I351 I354 L390 L398	L328-L346 HydrophobicContact CD2-CD1 3.49Å; L328-L346 VanDerWaalsContact CD2-CD1 3.49Å; F342-L346 WeakPolarHBondContact O-CG 3.39Å; F342-L346 PolarHBondContact O-N 3.24Å; L343-L346 HydrophobicContact CD2-CD1 4.25Å; L343-L346 WeakPolarHBondContact O-CB 2.91Å; L343-L346 PolarHBondContact O-N 3.41Å; L346-N348 PolarHBondContact O-N 3.15Å; L346-G349 PolarHBondContact O-N 3.2Å; L346-G349 VanDerWaalsContact O-N 3.09Å; L346-I351 HydrophobicContact CD2-CB 3.7Å; L346-I351 HydrophobicContact CD2-CD1 4.28Å; L346-I351 HydrophobicContact CD2-CG2 3.47Å; L346-I351 VanDerWaalsContact CD2-CG2 3.47Å; L346-I351 HydrophobicContact CG-CB 4.36Å; L346-I351 HydrophobicContact CG-CD1 4.22Å; L346-I354 HydrophobicContact CD1-CD1 4.15Å; L346-I354 HydrophobicContact CD2-CD1 3.9Å; L346-I354 HydrophobicContact CD2-CG1 4.04Å; L346-L390 HydrophobicContact CB-CD2 4.05Å; L346-L398 HydrophobicContact CB-CD1 4.18Å; L346-L398 HydrophobicContact CD2-CD1 3.88Å; L346-L398 HydrophobicContact CD2-CD2 3.69Å; L346-L398 HydrophobicContact CD2-CG 4.4Å; L346-L398 HydrophobicContact CG-CD1 4.47Å
347	T	90.6	Very high	82.8	Confident	53 Å²	53	38.1 Å²	38.1	33%	0.325	22%	0.217	S	C	.	.	H	α-helix	trans	-64.8	-39.5	-178.9	56.7	0	0	0	0	112.7	L343 P344 G349 W389 L390	L343-T347 WeakPolarHBondContact O-CG2 3.31Å; L343-T347 PolarHBondContact O-N 3.15Å; L343-T347 VanDerWaalsContact O-N 3.07Å; P344-T347 WeakPolarHBondContact CA-OG1 3.48Å; P344-T347 PolarHBondContact O-OG1 2.84Å; T347-G349 PolarHBondContact O-N 3.12Å; T347-W389 HydrophobicContact CG2-CB 4.34Å; T347-W389 HydrophobicContact CG2-CE3 4.31Å; T347-W389 WeakPolarHBondContact CG2-O 3.38Å; T347-L390 HydrophobicContact CG2-CD2 3.9Å
348	N	89.4	Confident	85.1	Confident	120 Å²	120	30.8 Å²	30.8	64%	0.642	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-7	177.7	-66.8	-16.2	0	0	0	112.6	P344 L346 D350	P344-N348 WeakPolarHBondContact O-CB 3.21Å; P344-N348 VanDerWaalsContact O-CG 3.24Å; P344-N348 PolarHBondContact O-N 2.99Å; P344-N348 VanDerWaalsContact O-N 3.11Å; P344-N348 PolarHBondContact O-ND2 2.81Å; L346-N348 PolarHBondContact O-N 3.15Å; N348-D350 VanDerWaalsContact C-N 3.33Å; N348-D350 PolarHBondContact O-N 2.97Å
349	G	90	Very high	86.8	Confident	11 Å²	11	25.8 Å²	25.8	11%	0.113	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	23.1	178.5	0	0	0	0	0	114.3	K311 L345 L346 T347 K352	K311-G349 PolarHBondContact NZ-O 2.75Å; L345-G349 PolarHBondContact O-N 2.95Å; L346-G349 PolarHBondContact O-N 3.2Å; L346-G349 VanDerWaalsContact O-N 3.09Å; T347-G349 PolarHBondContact O-N 3.12Å; G349-K352 WeakPolarHBondContact O-CD 3.39Å; G349-K352 WeakPolarHBondContact O-CE 3.44Å; G349-K352 PolarHBondContact O-NZ 2.88Å
350	D	91.3	Very high	87.7	Confident	14 Å²	14	26.5 Å²	26.5	8%	0.075	15%	0.151	C	C	.	.	S	Bend	trans	-69.8	-45.5	169.7	-75.8	-33.5	0	0	0	110	S308 R312 L345 N348	S308-D350 PolarHBondContact OG-OD1 3.44Å; S308-D350 PolarHBondContact OG-OD2 2.83Å; R312-D350 IonicContact CZ-OD1 2.8Å; R312-D350 IonicContact CZ-OD2 3.26Å; R312-D350 IonicContact NH2-OD1 2.78Å; R312-D350 PolarHBondContact NH2-OD1 3.2Å; R312-D350 IonicContact NH2-OD2 2.75Å; R312-D350 PolarHBondContact NH2-OD2 3.27Å; L345-D350 HydrophobicContact CB-CB 4.39Å; L345-D350 HydrophobicContact CD2-CB 4.39Å; L345-D350 PolarHBondContact O-N 3.16Å; N348-D350 VanDerWaalsContact C-N 3.33Å; N348-D350 PolarHBondContact O-N 2.97Å
351	I	93	Very high	87.7	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.8	166.6	-57	161.7	0	0	0	108.2	I304 V321 C323 F342 L345 L346	I304-I351 HydrophobicContact CD1-CD1 3.86Å; I304-I351 HydrophobicContact CD1-CG1 4.06Å; I304-I351 HydrophobicContact CG2-CD1 4.42Å; I304-I351 HydrophobicContact CG2-CG1 3.95Å; V321-I351 HydrophobicContact CB-CG1 4.5Å; V321-I351 HydrophobicContact CG1-CG1 4.31Å; C323-I351 HydrophobicContact CB-CG2 4.22Å; F342-I351 HydrophobicContact CB-CD1 4.34Å; F342-I351 HydrophobicContact CD1-CD1 3.7Å; L345-I351 HydrophobicContact CB-CD1 3.65Å; L345-I351 HydrophobicContact CB-CG1 4.1Å; L345-I351 PolarHBondContact O-N 2.86Å; L345-I351 VanDerWaalsContact O-N 3.16Å; L346-I351 HydrophobicContact CD2-CB 3.7Å; L346-I351 HydrophobicContact CD2-CD1 4.28Å; L346-I351 HydrophobicContact CD2-CG2 3.47Å; L346-I351 VanDerWaalsContact CD2-CG2 3.47Å; L346-I351 HydrophobicContact CG-CB 4.36Å; L346-I351 HydrophobicContact CG-CD1 4.22Å
352	K	94.2	Very high	86.4	Confident	62 Å²	62	30.4 Å²	30.4	27%	0.27	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-16.6	-176.6	-66.4	-59.3	-164.6	-168.6	0	114.7	T320 V321 G349 N402 Y406	T320-K352 HydrophobicContact CG2-CB 3.54Å; T320-K352 HydrophobicContact CG2-CG 3.75Å; V321-K352 PolarHBondContact O-N 3.38Å; G349-K352 WeakPolarHBondContact O-CD 3.39Å; G349-K352 WeakPolarHBondContact O-CE 3.44Å; G349-K352 PolarHBondContact O-NZ 2.88Å; K352-N402 PolarHBondContact O-ND2 3.43Å; K352-Y406 HydrophobicContact CB-CE2 4.46Å
353	L	94.6	Very high	84.4	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.4	-171.1	-66	170.6	0	0	0	110.5	M121 C322 C323 N402 A403 Y406	M121-L353 HydrophobicContact CE-CD1 4.18Å; M121-L353 HydrophobicContact CG-CD1 4.12Å; M121-L353 HydrophobicContact CG-CD2 4.36Å; C322-L353 WeakPolarHBondContact CA-O 3.33Å; C322-L353 HydrophobicContact CB-CB 3.83Å; C322-L353 HydrophobicContact CB-CD1 4.33Å; C322-L353 VanDerWaalsContact SG-CB 3.52Å; C323-L353 PolarHBondContact N-O 3.06Å; L353-N402 HydrophobicContact CD2-CB 3.64Å; L353-A403 HydrophobicContact CD2-CB 3.86Å; L353-Y406 HydrophobicContact CD1-CD2 3.65Å; L353-Y406 HydrophobicContact CD1-CE2 3.87Å; L353-Y406 HydrophobicContact CD1-CG 4.46Å; L353-Y406 HydrophobicContact CD2-CD2 4.1Å; L353-Y406 HydrophobicContact CD2-CE2 4.27Å; L353-Y406 HydrophobicContact CG-CD2 4.15Å; L353-Y406 HydrophobicContact CG-CE2 4.07Å
354	I	94.2	Very high	82.3	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.1	169.1	-60.3	162.2	0	0	0	109	C323 L328 L346 R376 T380 L398	C323-I354 WeakPolarHBondContact O-CA 3.41Å; L328-I354 HydrophobicContact CD1-CD1 3.92Å; L346-I354 HydrophobicContact CD1-CD1 4.15Å; L346-I354 HydrophobicContact CD2-CD1 3.9Å; L346-I354 HydrophobicContact CD2-CG1 4.04Å; I354-R376 PolarHBondContact O-NH1 2.65Å; I354-T380 HydrophobicContact CD1-CG2 3.38Å; I354-L398 HydrophobicContact CD1-CB 4.14Å; I354-L398 HydrophobicContact CD1-CD1 4.17Å; I354-L398 PolarHBondContact N-O 2.81Å; I354-L398 VanDerWaalsContact N-O 3.13Å
355	S	93.6	Very high	79.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	163	175.5	55	0	0	0	0	111.4	D120 C322 C323 T324 S325	D120-S355 VanDerWaalsContact OD1-CA 3.23Å; D120-S355 WeakPolarHBondContact OD1-CA 3.47Å; D120-S355 VanDerWaalsContact OD1-CB 3.22Å; D120-S355 WeakPolarHBondContact OD1-CB 3.05Å; C322-S355 PolarHBondContact SG-OG 2.74Å; C322-S355 VanDerWaalsContact SG-OG 3.35Å; C323-S355 PolarHBondContact O-N 2.94Å; C323-S355 PolarHBondContact O-OG 2.84Å; T324-S355 CarbonylContact C-O 3.59Å; T324-S355 WeakPolarHBondContact CA-O 3.05Å; S325-S355 PolarHBondContact N-O 3.27Å
356	S	91.2	Very high	77.4	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.021	25%	0.253	C	S	.	.			trans	-75.9	-32.6	170.3	63.8	0	0	0	0	111.8	D120 Y358 R376	D120-S356 PolarHBondContact OD1-N 3.33Å; D120-S356 WeakPolarHBondContact OD2-CB 3.37Å; D120-S356 PolarHBondContact OD2-N 2.7Å; D120-S356 PolarHBondContact OD2-OG 2.95Å; S356-Y358 PolarHBondContact O-N 2.82Å; S356-Y358 PolarHBondContact OG-N 3.03Å; S356-R376 VanDerWaalsContact N-CD 3.29Å
357	D	88.5	Confident	74.7	Confident	26 Å²	26	48 Å²	48	14%	0.139	28%	0.28	C	S	.	.			trans	55.4	28.4	-169.6	-151.1	44.6	0	0	0	112.8	S122 Y124 K253 S297 T324 S359	S122-D357 WeakPolarHBondContact O-CA 3.44Å; S122-D357 PolarHBondContact O-N 3.44Å; S122-D357 PolarHBondContact OG-OD1 2.65Å; Y124-D357 WeakPolarHBondContact CE2-OD1 3.26Å; K253-D357 IonicContact NZ-OD1 2.72Å; K253-D357 PolarHBondContact NZ-OD1 2.91Å; K253-D357 IonicContact NZ-OD2 3.82Å; K253-D357 PolarHBondContact NZ-OD2 3.15Å; S297-D357 VanDerWaalsContact CB-OD2 3.31Å; S297-D357 WeakPolarHBondContact CB-OD2 3.31Å; S297-D357 PolarHBondContact OG-OD1 3.25Å; S297-D357 PolarHBondContact OG-OD2 3.07Å; T324-D357 HydrophobicContact CG2-CB 3.59Å; D357-S359 PolarHBondContact O-N 3.41Å
358	Y	88.2	Confident	72.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.2	-175.8	175.9	-100.4	0	0	0	111.6	Y124 L125 Y140 S356 T372 I373	Y124-Y358 PolarHBondContact N-O 3.14Å; L125-Y358 HydrophobicContact CD2-CD1 3.53Å; L125-Y358 HydrophobicContact CD2-CE1 3.84Å; Y140-Y358 AromaticContact CD1-CE1 3.74Å; Y140-Y358 HydrophobicContact CD1-CE1 3.74Å; Y140-Y358 AromaticContact CD1-CZ 3.91Å; Y140-Y358 WeakPolarHBondContact CD1-OH 3.26Å; Y140-Y358 HydrophobicContact CD2-CE1 4.35Å; Y140-Y358 HydrophobicContact CE1-CE1 4.01Å; Y140-Y358 AromaticContact CE1-CZ 3.91Å; Y140-Y358 WeakPolarHBondContact CE1-OH 3.45Å; Y140-Y358 AromaticContact CG-CE1 3.96Å; Y140-Y358 HydrophobicContact CG-CE1 3.96Å; S356-Y358 PolarHBondContact O-N 2.82Å; S356-Y358 PolarHBondContact OG-N 3.03Å; Y358-T372 VanDerWaalsContact CD2-OG1 3.28Å; Y358-T372 WeakPolarHBondContact CD2-OG1 3.12Å; Y358-I373 HydrophobicContact CD2-CB 4.47Å; Y358-I373 HydrophobicContact CG-CB 4.07Å
359	S	82.4	Confident	71.1	Confident	19 Å²	19	44.3 Å²	44.3	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.9	169.7	65.1	0	0	0	0	109.2	D357 V361	D357-S359 PolarHBondContact O-N 3.41Å; S359-V361 PolarHBondContact O-N 3.41Å
360	D	71.5	Confident	69.5	Low	83 Å²	83	46.9 Å²	46.9	44%	0.444	27%	0.272	S	S	.	.	S	Bend	trans	-71.8	-15.2	179.4	-168.2	33.3	0	0	0	113.3	Q127 Y140 D362	Q127-D360 HydrophobicContact CG-CB 4.02Å; Y140-D360 PolarHBondContact OH-OD1 2.91Å; Y140-D360 VanDerWaalsContact OH-OD1 3.04Å; Y140-D360 PolarHBondContact OH-OD2 3.33Å; D360-D362 PolarHBondContact O-N 2.76Å
361	V	64.6	Low	68.2	Low	65 Å²	65	52 Å²	52	39%	0.394	30%	0.296	S	S	.	.	S	Bend	trans	-81.2	120.2	174.8	-179.4	0	0	0	0	110.3	Q127 S359 T363	Q127-V361 HydrophobicContact CB-CG2 4.1Å; Q127-V361 HydrophobicContact CG-CG2 3.73Å; S359-V361 PolarHBondContact O-N 3.41Å; V361-T363 VanDerWaalsContact C-N 3.33Å; V361-T363 HydrophobicContact CG1-CG2 3.99Å; V361-T363 PolarHBondContact O-N 2.96Å
362	D	49.6	Very low	67.5	Low	79 Å²	79	52.7 Å²	52.7	42%	0.422	30%	0.3	S	S	.	.			trans	-67.6	87.6	169.4	-156.9	-4.6	0	0	0	109.1	D360 G365 K366 S367	D360-D362 PolarHBondContact O-N 2.76Å; D362-G365 WeakPolarHBondContact OD1-CA 3.05Å; D362-G365 PolarHBondContact OD1-N 2.87Å; D362-G365 VanDerWaalsContact OD1-N 3.16Å; D362-K366 PolarHBondContact OD1-N 3.26Å; D362-S367 PolarHBondContact OD1-N 3.48Å
363	T	46	Very low	67.3	Low	59 Å²	59	49.7 Å²	49.7	36%	0.362	29%	0.287	S	S	.	.	S	Bend	trans	-79.9	-20.9	-177.7	41.8	0	0	0	0	112.9	V361	V361-T363 VanDerWaalsContact C-N 3.33Å; V361-T363 HydrophobicContact CG1-CG2 3.99Å; V361-T363 PolarHBondContact O-N 2.96Å
364	D	44.3	Very low	67.1	Low	115 Å²	115	51.7 Å²	51.7	62%	0.615	29%	0.294	S	S	*	.	S	Bend	trans	-121.5	7.6	-172.5	-66.2	-23.7	0	0	0	113.6	K366	D364-K366 PolarHBondContact O-N 3.39Å
365	G	37.4	Very low	66.9	Low	67 Å²	67	53.2 Å²	53.2	69%	0.691	30%	0.302	S	S	*	.	S	Bend	trans	62.4	4.3	-173.8	0	0	0	0	0	114	D362	D362-G365 WeakPolarHBondContact OD1-CA 3.05Å; D362-G365 PolarHBondContact OD1-N 2.87Å; D362-G365 VanDerWaalsContact OD1-N 3.16Å
366	K	40.6	Very low	66.8	Low	140 Å²	140	53.2 Å²	53.2	61%	0.609	30%	0.302	S	S	*	.	S	Bend	trans	-95.6	98.9	164.3	-72.2	178.2	-179.7	174.4	0	104.4	D362 D364 N368	D362-K366 PolarHBondContact OD1-N 3.26Å; D364-K366 PolarHBondContact O-N 3.39Å; K366-N368 PolarHBondContact O-N 3.34Å
367	S	34.5	Very low	66.9	Low	86 Å²	86	53.1 Å²	53.1	60%	0.601	30%	0.301	S	S	*	.			trans	-37.9	109.1	172.3	61.9	0	0	0	0	108.7	D362 S369	D362-S367 PolarHBondContact OD1-N 3.48Å; S367-S369 PolarHBondContact O-N 3.5Å
368	N	51.7	Low	67	Low	54 Å²	54	52 Å²	52	29%	0.289	29%	0.294	S	S	.	.			trans	-68.5	81	163.7	-92.6	-18.1	0	0	0	104	K366 L370	K366-N368 PolarHBondContact O-N 3.34Å; N368-L370 PolarHBondContact O-N 2.76Å
369	S	51.6	Low	67	Low	40 Å²	40	52.2 Å²	52.2	28%	0.28	30%	0.296	S	S	.	.			trans	-54.3	140.7	-178.8	63.7	0	0	0	0	106.2	S367 Q371 T372	S367-S369 PolarHBondContact O-N 3.5Å; S369-Q371 CarbonylContact O-C 3.57Å; S369-Q371 WeakPolarHBondContact O-CA 3.33Å; S369-Q371 PolarHBondContact O-N 3.13Å; S369-Q371 VanDerWaalsContact OG-CB 3.25Å; S369-Q371 WeakPolarHBondContact OG-CB 3.4Å; S369-Q371 VanDerWaalsContact OG-CG 3.23Å; S369-Q371 WeakPolarHBondContact OG-CG 3.48Å; S369-Q371 PolarHBondContact OG-OE1 3.39Å; S369-T372 PolarHBondContact O-N 3.26Å
370	L	57.3	Low	67.3	Low	65 Å²	65	51.3 Å²	51.3	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-35.5	-21.9	170.7	-129.2	79.9	0	0	0	113.6	Y140 E143 N368 T372 I373	Y140-L370 HydrophobicContact CD1-CD1 3.91Å; Y140-L370 HydrophobicContact CD1-CG 4.45Å; Y140-L370 HydrophobicContact CE1-CD1 3.57Å; E143-L370 HydrophobicContact CG-CD2 3.43Å; E143-L370 VanDerWaalsContact CG-CD2 3.43Å; E143-L370 HydrophobicContact CG-CG 3.91Å; N368-L370 PolarHBondContact O-N 2.76Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 2.54Å; L370-I373 WeakPolarHBondContact O-CG2 3.35Å
371	Q	63.8	Low	68.2	Low	123 Å²	123	47.8 Å²	47.8	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-53.7	-34	171.4	-50.8	175.5	10.7	0	0	114.3	S369 I373 R374 Q375	S369-Q371 CarbonylContact O-C 3.57Å; S369-Q371 WeakPolarHBondContact O-CA 3.33Å; S369-Q371 PolarHBondContact O-N 3.13Å; S369-Q371 VanDerWaalsContact OG-CB 3.25Å; S369-Q371 WeakPolarHBondContact OG-CB 3.4Å; S369-Q371 VanDerWaalsContact OG-CG 3.23Å; S369-Q371 WeakPolarHBondContact OG-CG 3.48Å; S369-Q371 PolarHBondContact OG-OE1 3.39Å; Q371-I373 PolarHBondContact O-N 2.74Å; Q371-R374 CarbonylContact O-C 3.59Å; Q371-R374 PolarHBondContact O-N 3.37Å; Q371-Q375 WeakPolarHBondContact O-CA 3.46Å; Q371-Q375 WeakPolarHBondContact O-CB 3.23Å; Q371-Q375 PolarHBondContact O-N 3.19Å
372	T	78.8	Confident	69.2	Low	14 Å²	14	49 Å²	49	9%	0.086	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-40.1	-171.1	68.5	0	0	0	0	113.6	Y358 S369 L370 Q375 R376	Y358-T372 VanDerWaalsContact CD2-OG1 3.28Å; Y358-T372 WeakPolarHBondContact CD2-OG1 3.12Å; S369-T372 PolarHBondContact O-N 3.26Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 2.54Å; T372-Q375 PolarHBondContact O-N 2.9Å; T372-R376 PolarHBondContact O-N 2.91Å
373	I	88.8	Confident	70.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.4	-164.5	171.1	0	0	0	111.4	T123 L125 E143 A144 Y358 L370 Q371	T123-I373 HydrophobicContact CG2-CD1 3.94Å; T123-I373 HydrophobicContact CG2-CG1 4.48Å; L125-I373 HydrophobicContact CD2-CD1 4.38Å; E143-I373 HydrophobicContact CB-CG2 3.87Å; A144-I373 HydrophobicContact CB-CD1 3.79Å; A144-I373 HydrophobicContact CB-CG1 3.83Å; Y358-I373 HydrophobicContact CD2-CB 4.47Å; Y358-I373 HydrophobicContact CG-CB 4.07Å; L370-I373 WeakPolarHBondContact O-CG2 3.35Å; Q371-I373 PolarHBondContact O-N 2.74Å
374	R	91.5	Very high	72.9	Confident	44 Å²	44	42.9 Å²	42.9	17%	0.166	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-37.4	176.1	178.3	167.7	-178	153.7	3	113.1	E143 L146 G147 Q371 R376 Y439 G454	E143-R374 HydrophobicContact CB-CB 4.31Å; E143-R374 WeakPolarHBondContact O-CA 3.41Å; E143-R374 WeakPolarHBondContact O-CB 3.38Å; E143-R374 IonicContact OE1-NH1 3.55Å; E143-R374 WeakPolarHBondContact OE2-CD 3.42Å; E143-R374 IonicContact OE2-CZ 2.87Å; E143-R374 IonicContact OE2-NE 3.79Å; E143-R374 IonicContact OE2-NH1 3.63Å; E143-R374 PolarHBondContact OE2-NH1 2.81Å; L146-R374 VanDerWaalsContact CD1-NH1 3.31Å; G147-R374 WeakPolarHBondContact CA-O 3.36Å; Q371-R374 CarbonylContact O-C 3.59Å; Q371-R374 PolarHBondContact O-N 3.37Å; R374-R376 VanDerWaalsContact C-N 3.34Å; R374-Y439 HydrophobicContact CG-CE1 4.35Å; R374-G454 PolarHBondContact NH2-O 3.12Å
375	Q	88.6	Confident	75	Confident	34 Å²	34	38.4 Å²	38.4	16%	0.159	21%	0.214	C	C	.	.	H	α-helix	trans	-87.5	-4.7	-170.3	-154.3	74.1	8.3	0	0	111.9	Q371 T372 L377 I378 T379 Q438	Q371-Q375 WeakPolarHBondContact O-CA 3.46Å; Q371-Q375 WeakPolarHBondContact O-CB 3.23Å; Q371-Q375 PolarHBondContact O-N 3.19Å; T372-Q375 PolarHBondContact O-N 2.9Å; Q375-L377 PolarHBondContact O-N 3.24Å; Q375-I378 HydrophobicContact CG-CB 4.1Å; Q375-I378 HydrophobicContact CG-CG2 4.25Å; Q375-I378 WeakPolarHBondContact O-CB 3.41Å; Q375-I378 PolarHBondContact O-N 2.89Å; Q375-I378 VanDerWaalsContact O-N 3.13Å; Q375-T379 VanDerWaalsContact CG-OG1 3.26Å; Q375-T379 WeakPolarHBondContact CG-OG1 3.48Å; Q375-T379 WeakPolarHBondContact O-CB 3.44Å; Q375-T379 PolarHBondContact O-N 3.32Å; Q375-T379 PolarHBondContact O-OG1 2.89Å; Q375-Q438 VanDerWaalsContact NE2-OE1 3.09Å
376	R	92.5	Very high	77.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-51	-56.4	-176.4	-175.4	-176.1	68.9	103.1	-3.7	113.6	G118 I119 D120 T149 I354 S356 T372 R374 I378 T380 T399	G118-R376 VanDerWaalsContact C-NH2 3.31Å; G118-R376 VanDerWaalsContact CA-NH2 3.31Å; I119-R376 PolarHBondContact O-NH1 3.26Å; I119-R376 VanDerWaalsContact O-NH1 3.08Å; I119-R376 PolarHBondContact O-NH2 3.12Å; D120-R376 WeakPolarHBondContact OD2-CD 3.42Å; D120-R376 IonicContact OD2-NE 2.82Å; T149-R376 PolarHBondContact OG1-NH2 3.09Å; I354-R376 PolarHBondContact O-NH1 2.65Å; S356-R376 VanDerWaalsContact N-CD 3.29Å; T372-R376 PolarHBondContact O-N 2.91Å; R374-R376 VanDerWaalsContact C-N 3.34Å; R376-I378 VanDerWaalsContact C-N 3.3Å; R376-I378 PolarHBondContact O-N 2.84Å; R376-T380 WeakPolarHBondContact O-CB 3.25Å; R376-T380 PolarHBondContact O-N 2.92Å; R376-T380 PolarHBondContact O-OG1 3.41Å; R376-T399 PolarHBondContact NH1-O 3.08Å
377	L	93.3	Very high	79.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-38.4	179.6	-64.7	-169.1	0	0	0	111.4	G148 Q375 T380 W381 F395 T399 I425	G148-L377 WeakPolarHBondContact O-CD1 3.41Å; Q375-L377 PolarHBondContact O-N 3.24Å; L377-T380 PolarHBondContact O-N 2.83Å; L377-W381 VanDerWaalsContact O-CB 3.32Å; L377-W381 WeakPolarHBondContact O-CB 3.18Å; L377-W381 PolarHBondContact O-N 2.91Å; L377-F395 HydrophobicContact CB-CZ 4.21Å; L377-F395 HydrophobicContact CD2-CZ 4.25Å; L377-F395 WeakPolarHBondContact O-CE2 3.39Å; L377-T399 VanDerWaalsContact CD2-CB 3.49Å; L377-T399 HydrophobicContact CD2-CG2 3.63Å; L377-I425 HydrophobicContact CD1-CD1 4Å
378	I	89.6	Confident	81.7	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-51.1	-176.3	-55.3	-175.6	0	0	0	111.7	Q375 R376 T380 W381 K382 W427 Q438 Y439	Q375-I378 HydrophobicContact CG-CB 4.1Å; Q375-I378 HydrophobicContact CG-CG2 4.25Å; Q375-I378 WeakPolarHBondContact O-CB 3.41Å; Q375-I378 PolarHBondContact O-N 2.89Å; Q375-I378 VanDerWaalsContact O-N 3.13Å; R376-I378 VanDerWaalsContact C-N 3.3Å; R376-I378 PolarHBondContact O-N 2.84Å; I378-T380 VanDerWaalsContact C-N 3.31Å; I378-T380 PolarHBondContact O-N 2.87Å; I378-W381 PolarHBondContact O-N 3.45Å; I378-K382 VanDerWaalsContact O-CB 3.25Å; I378-K382 WeakPolarHBondContact O-CB 3.38Å; I378-K382 PolarHBondContact O-N 3.44Å; I378-W427 HydrophobicContact CG1-CH2 4.31Å; I378-Q438 WeakPolarHBondContact CB-O 3.46Å; I378-Q438 WeakPolarHBondContact CD1-O 3.3Å; I378-Q438 WeakPolarHBondContact CG1-O 3.05Å; I378-Q438 HydrophobicContact CG2-CB 3.5Å; I378-Q438 VanDerWaalsContact CG2-CB 3.5Å; I378-Q438 HydrophobicContact CG2-CG 3.91Å; I378-Q438 WeakPolarHBondContact CG2-O 3.33Å; I378-Y439 HydrophobicContact CD1-CD1 3.14Å; I378-Y439 HydrophobicContact CD1-CE1 3.25Å; I378-Y439 HydrophobicContact CD1-CG 3.95Å; I378-Y439 HydrophobicContact CG1-CD1 4.44Å
379	T	88	Confident	83.5	Confident	8 Å²	8	37.1 Å²	37.1	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-43.3	176.9	-65	0	0	0	0	110.2	S325 L328 L329 Q375 A383	S325-T379 VanDerWaalsContact O-CG2 3.23Å; S325-T379 WeakPolarHBondContact O-CG2 3.31Å; L328-T379 HydrophobicContact CB-CG2 4.47Å; L329-T379 HydrophobicContact CD1-CG2 4.01Å; L329-T379 HydrophobicContact CD2-CG2 3.88Å; L329-T379 HydrophobicContact CG-CG2 3.72Å; Q375-T379 VanDerWaalsContact CG-OG1 3.26Å; Q375-T379 WeakPolarHBondContact CG-OG1 3.48Å; Q375-T379 WeakPolarHBondContact O-CB 3.44Å; Q375-T379 PolarHBondContact O-N 3.32Å; Q375-T379 PolarHBondContact O-OG1 2.89Å; T379-A383 WeakPolarHBondContact O-CB 3.46Å; T379-A383 PolarHBondContact O-N 3.31Å
380	T	90.5	Very high	85.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-46.4	177.2	-55.9	0	0	0	0	111.6	L328 I354 R376 L377 I378 G384 L390 F395 T399	L328-T380 HydrophobicContact CD1-CG2 4.27Å; I354-T380 HydrophobicContact CD1-CG2 3.38Å; R376-T380 WeakPolarHBondContact O-CB 3.25Å; R376-T380 PolarHBondContact O-N 2.92Å; R376-T380 PolarHBondContact O-OG1 3.41Å; L377-T380 PolarHBondContact O-N 2.83Å; I378-T380 VanDerWaalsContact C-N 3.31Å; I378-T380 PolarHBondContact O-N 2.87Å; T380-G384 PolarHBondContact O-N 3.49Å; T380-G384 VanDerWaalsContact O-N 3.09Å; T380-L390 HydrophobicContact CG2-CD1 4.43Å; T380-F395 HydrophobicContact CG2-CD2 3.79Å; T380-F395 HydrophobicContact CG2-CE2 3.84Å; T380-T399 HydrophobicContact CG2-CG2 4.01Å
381	W	89.5	Confident	87	Confident	8 Å²	8	36.8 Å²	36.8	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-56.6	177.7	-174.8	-96.1	0	0	0	110.4	L113 M115 L377 I378 A383 G384 V385 P386 F395 W427 N431 I432	L113-W381 HydrophobicContact CD1-CH2 3.71Å; L113-W381 HydrophobicContact CD1-CZ2 4.35Å; M115-W381 HydrophobicContact CE-CH2 4.16Å; M115-W381 HydrophobicContact CE-CZ3 3.96Å; M115-W381 HydrophobicContact SD-CH2 4.46Å; M115-W381 HydrophobicContact SD-CZ3 3.95Å; L377-W381 VanDerWaalsContact O-CB 3.32Å; L377-W381 WeakPolarHBondContact O-CB 3.18Å; L377-W381 PolarHBondContact O-N 2.91Å; I378-W381 PolarHBondContact O-N 3.45Å; W381-A383 VanDerWaalsContact C-N 3.3Å; W381-A383 PolarHBondContact O-N 3.03Å; W381-G384 PolarHBondContact O-N 2.79Å; W381-V385 HydrophobicContact CD2-CB 3.97Å; W381-V385 HydrophobicContact CD2-CG1 4.32Å; W381-V385 HydrophobicContact CD2-CG2 4.06Å; W381-V385 HydrophobicContact CE3-CB 4.04Å; W381-V385 HydrophobicContact CE3-CG1 4.31Å; W381-V385 HydrophobicContact CE3-CG2 3.66Å; W381-V385 HydrophobicContact CG-CB 4.48Å; W381-V385 HydrophobicContact CH2-CG1 3.95Å; W381-V385 HydrophobicContact CZ2-CG1 4.01Å; W381-V385 HydrophobicContact CZ3-CB 4.3Å; W381-V385 HydrophobicContact CZ3-CG1 4.1Å; W381-V385 HydrophobicContact CZ3-CG2 3.93Å; W381-V385 PolarHBondContact O-N 2.88Å; W381-P386 WeakPolarHBondContact O-CD 3.18Å; W381-F395 HydrophobicContact CB-CD2 4.45Å; W381-F395 HydrophobicContact CB-CE2 3.86Å; W381-F395 HydrophobicContact CB-CZ 4.39Å; W381-F395 AromaticContact CE3-CD1 3.85Å; W381-F395 HydrophobicContact CE3-CD1 3.85Å; W381-F395 AromaticContact CE3-CD2 3.76Å; W381-F395 HydrophobicContact CE3-CD2 3.76Å; W381-F395 AromaticContact CE3-CE1 3.9Å; W381-F395 HydrophobicContact CE3-CE1 3.9Å; W381-F395 AromaticContact CE3-CE2 3.81Å; W381-F395 HydrophobicContact CE3-CE2 3.81Å; W381-F395 AromaticContact CE3-CG 3.78Å; W381-F395 HydrophobicContact CE3-CG 3.78Å; W381-F395 AromaticContact CE3-CZ 3.88Å; W381-F395 HydrophobicContact CE3-CZ 3.88Å; W381-F395 AromaticContact CZ3-CD1 3.89Å; W381-F395 HydrophobicContact CZ3-CD1 3.89Å; W381-F395 HydrophobicContact CZ3-CD2 4.47Å; W381-F395 HydrophobicContact CZ3-CE1 4.19Å; W381-F395 HydrophobicContact CZ3-CG 4.05Å; W381-W427 HydrophobicContact CB-CH2 4.49Å; W381-W427 HydrophobicContact CB-CZ2 4.33Å; W381-W427 AromaticContact CE2-NE1 3.82Å; W381-W427 HydrophobicContact CG-CZ2 4.08Å; W381-W427 AromaticContact CZ2-CD1 3.91Å; W381-W427 HydrophobicContact CZ2-CG 4.3Å; W381-W427 AromaticContact NE1-NE1 3.59Å; W381-N431 PolarHBondContact NE1-O 3Å; W381-I432 HydrophobicContact CH2-CG1 4.44Å; W381-I432 HydrophobicContact CZ2-CD1 4.35Å; W381-I432 HydrophobicContact CZ2-CG1 3.59Å
382	K	85.9	Confident	88.4	Confident	90 Å²	90	31.5 Å²	31.5	39%	0.391	18%	0.175	S	C	.	.	H	α-helix	trans	-56.5	-41	-178.1	-178.5	177.3	179.8	174.5	0	113	I378	I378-K382 VanDerWaalsContact O-CB 3.25Å; I378-K382 WeakPolarHBondContact O-CB 3.38Å; I378-K382 PolarHBondContact O-N 3.44Å
383	A	85.4	Confident	89.2	Confident	11 Å²	11	31.3 Å²	31.3	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-74.9	-34.1	-178.2	0	0	0	0	0	112.8	L328 T379 W381 T387	L328-A383 HydrophobicContact CB-CB 3.85Å; L328-A383 HydrophobicContact CD1-CB 4.47Å; T379-A383 WeakPolarHBondContact O-CB 3.46Å; T379-A383 PolarHBondContact O-N 3.31Å; W381-A383 VanDerWaalsContact C-N 3.3Å; W381-A383 PolarHBondContact O-N 3.03Å; A383-T387 PolarHBondContact O-OG1 3.44Å
384	G	86.9	Confident	89.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-108.9	-45.6	-168.5	0	0	0	0	0	116.3	T380 W381 T387 G388 W389 L390	T380-G384 PolarHBondContact O-N 3.49Å; T380-G384 VanDerWaalsContact O-N 3.09Å; W381-G384 PolarHBondContact O-N 2.79Å; G384-T387 VanDerWaalsContact C-OG1 3.26Å; G384-T387 WeakPolarHBondContact CA-OG1 3.16Å; G384-T387 PolarHBondContact O-OG1 2.81Å; G384-G388 PolarHBondContact O-N 2.81Å; G384-W389 PolarHBondContact O-N 2.87Å; G384-L390 PolarHBondContact O-N 3.32Å
385	V	88.4	Confident	89.6	Confident	20 Å²	20	31.3 Å²	31.3	12%	0.121	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-55.3	-166.1	178.8	0	0	0	0	112.7	W381 T387 G388 L390 F395	W381-V385 HydrophobicContact CD2-CB 3.97Å; W381-V385 HydrophobicContact CD2-CG1 4.32Å; W381-V385 HydrophobicContact CD2-CG2 4.06Å; W381-V385 HydrophobicContact CE3-CB 4.04Å; W381-V385 HydrophobicContact CE3-CG1 4.31Å; W381-V385 HydrophobicContact CE3-CG2 3.66Å; W381-V385 HydrophobicContact CG-CB 4.48Å; W381-V385 HydrophobicContact CH2-CG1 3.95Å; W381-V385 HydrophobicContact CZ2-CG1 4.01Å; W381-V385 HydrophobicContact CZ3-CB 4.3Å; W381-V385 HydrophobicContact CZ3-CG1 4.1Å; W381-V385 HydrophobicContact CZ3-CG2 3.93Å; W381-V385 PolarHBondContact O-N 2.88Å; V385-T387 PolarHBondContact O-N 3.41Å; V385-G388 PolarHBondContact O-N 2.77Å; V385-G388 VanDerWaalsContact O-N 3.11Å; V385-L390 WeakPolarHBondContact CA-O 3.43Å; V385-L390 HydrophobicContact CG2-CB 4.07Å; V385-F395 HydrophobicContact CG2-CB 3.89Å; V385-F395 HydrophobicContact CG2-CD2 4.21Å; V385-F395 HydrophobicContact CG2-CG 4.27Å
386	P	83.4	Confident	90	Very high	48 Å²	48	29.7 Å²	29.7	31%	0.312	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.1	176.3	-24.5	36.3	0	0	0	113.8	W381 G388 I432	W381-P386 WeakPolarHBondContact O-CD 3.18Å; P386-G388 VanDerWaalsContact C-N 3.27Å; P386-G388 PolarHBondContact O-N 3.42Å; P386-I432 WeakPolarHBondContact CB-O 3.41Å; P386-I432 WeakPolarHBondContact CG-O 3.35Å
387	T	83.2	Confident	90.3	Very high	78 Å²	78	30.8 Å²	30.8	48%	0.479	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.5	-179.5	55.2	0	0	0	0	112.9	A383 G384 V385 W389	A383-T387 PolarHBondContact O-OG1 3.44Å; G384-T387 VanDerWaalsContact C-OG1 3.26Å; G384-T387 WeakPolarHBondContact CA-OG1 3.16Å; G384-T387 PolarHBondContact O-OG1 2.81Å; V385-T387 PolarHBondContact O-N 3.41Å; T387-W389 VanDerWaalsContact C-N 3.28Å; T387-W389 PolarHBondContact O-N 2.63Å
388	G	86.8	Confident	90.4	Very high	65 Å²	65	31 Å²	31	67%	0.67	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	4.4	179.6	0	0	0	0	0	114.7	G384 V385 P386	G384-G388 PolarHBondContact O-N 2.81Å; V385-G388 PolarHBondContact O-N 2.77Å; V385-G388 VanDerWaalsContact O-N 3.11Å; P386-G388 VanDerWaalsContact C-N 3.27Å; P386-G388 PolarHBondContact O-N 3.42Å
389	W	89.1	Confident	90.7	Very high	130 Å²	130	31 Å²	31	49%	0.492	18%	0.181	S	C	.	.	S	Bend	trans	-72.7	-45.6	174.6	-73.1	98.6	0	0	0	111.1	L343 P344 T347 G384 T387	L343-W389 HydrophobicContact CB-CB 4.26Å; L343-W389 HydrophobicContact CB-CD2 3.93Å; L343-W389 HydrophobicContact CB-CE3 4.23Å; L343-W389 HydrophobicContact CB-CG 3.93Å; L343-W389 HydrophobicContact CD1-CD2 4.42Å; L343-W389 HydrophobicContact CD1-CG 3.93Å; L343-W389 HydrophobicContact CD2-CB 4.34Å; L343-W389 HydrophobicContact CG-CG 4.37Å; P344-W389 HydrophobicContact CB-CZ3 4.43Å; P344-W389 HydrophobicContact CG-CH2 4.09Å; P344-W389 HydrophobicContact CG-CZ3 3.84Å; T347-W389 HydrophobicContact CG2-CB 4.34Å; T347-W389 HydrophobicContact CG2-CE3 4.31Å; T347-W389 WeakPolarHBondContact CG2-O 3.38Å; G384-W389 PolarHBondContact O-N 2.87Å; T387-W389 VanDerWaalsContact C-N 3.28Å; T387-W389 PolarHBondContact O-N 2.63Å
390	L	90.6	Very high	91.2	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-109.7	135.1	179.8	-54.1	180	0	0	0	109.9	L346 T347 T380 G384 V385 T394 L398	L346-L390 HydrophobicContact CB-CD2 4.05Å; T347-L390 HydrophobicContact CG2-CD2 3.9Å; T380-L390 HydrophobicContact CG2-CD1 4.43Å; G384-L390 PolarHBondContact O-N 3.32Å; V385-L390 WeakPolarHBondContact CA-O 3.43Å; V385-L390 HydrophobicContact CG2-CB 4.07Å; L390-T394 HydrophobicContact CD2-CG2 3.9Å; L390-L398 HydrophobicContact CD1-CD1 3.88Å; L390-L398 HydrophobicContact CD2-CD1 4.03Å
391	D	92	Very high	91.6	Very high	91 Å²	91	30.6 Å²	30.6	49%	0.487	18%	0.178	S	C	.	.			trans	-80.1	167.2	160.3	67.6	2.2	0	0	0	110.5	S393 T394 F395	D391-S393 VanDerWaalsContact C-N 3.26Å; D391-S393 PolarHBondContact O-N 3.22Å; D391-T394 PolarHBondContact O-N 2.91Å; D391-T394 WeakPolarHBondContact OD1-CA 3.49Å; D391-T394 WeakPolarHBondContact OD1-CB 3.38Å; D391-T394 PolarHBondContact OD1-N 2.81Å; D391-T394 PolarHBondContact OD1-OG1 3.06Å; D391-F395 PolarHBondContact O-N 3.04Å
392	A	93.2	Very high	91.9	Very high	12 Å²	12	31.8 Å²	31.8	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-33.3	-177.9	0	0	0	0	0	112.2	V74 I79 L113 F395 V396	V74-A392 HydrophobicContact CG1-CB 3.74Å; V74-A392 HydrophobicContact CG2-CB 4.3Å; I79-A392 HydrophobicContact CD1-CB 4.15Å; L113-A392 HydrophobicContact CD1-CB 4.23Å; A392-F395 WeakPolarHBondContact O-CB 3.24Å; A392-F395 PolarHBondContact O-N 2.76Å; A392-V396 WeakPolarHBondContact O-CG2 3.48Å; A392-V396 PolarHBondContact O-N 3.06Å
393	S	95.7	Very high	92.4	Very high	11 Å²	11	27.5 Å²	27.5	8%	0.077	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-42.6	176.2	-71.7	0	0	0	0	112.3	N75 I79 D391 F395 V396 S397	N75-S393 WeakPolarHBondContact O-CA 3.42Å; N75-S393 VanDerWaalsContact O-CB 3.29Å; N75-S393 WeakPolarHBondContact O-CB 3.39Å; N75-S393 PolarHBondContact O-OG 2.77Å; I79-S393 WeakPolarHBondContact CG1-OG 3.2Å; D391-S393 VanDerWaalsContact C-N 3.26Å; D391-S393 PolarHBondContact O-N 3.22Å; S393-F395 VanDerWaalsContact C-N 3.32Å; S393-F395 PolarHBondContact O-N 3.39Å; S393-V396 WeakPolarHBondContact O-CB 3.32Å; S393-V396 PolarHBondContact O-N 3.23Å; S393-S397 PolarHBondContact O-N 3.45Å; S393-S397 PolarHBondContact O-OG 3.5Å
394	T	95.4	Very high	93	Very high	42 Å²	42	27 Å²	27	26%	0.258	16%	0.162	S	C	.	.	H	α-helix	trans	-65.3	-37.6	174.7	-57.6	0	0	0	0	110.9	L390 D391 V396 S397 L398	L390-T394 HydrophobicContact CD2-CG2 3.9Å; D391-T394 PolarHBondContact O-N 2.91Å; D391-T394 WeakPolarHBondContact OD1-CA 3.49Å; D391-T394 WeakPolarHBondContact OD1-CB 3.38Å; D391-T394 PolarHBondContact OD1-N 2.81Å; D391-T394 PolarHBondContact OD1-OG1 3.06Å; T394-V396 VanDerWaalsContact C-N 3.34Å; T394-V396 PolarHBondContact O-N 3.27Å; T394-S397 WeakPolarHBondContact O-CB 3.36Å; T394-S397 PolarHBondContact O-N 3.09Å; T394-L398 HydrophobicContact CG2-CD1 3.91Å; T394-L398 HydrophobicContact CG2-CG 4.29Å; T394-L398 VanDerWaalsContact O-CG 3.28Å; T394-L398 WeakPolarHBondContact O-CG 2.96Å; T394-L398 PolarHBondContact O-N 2.87Å
395	F	94.7	Very high	93.4	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-47.4	170.9	172.5	-90.8	0	0	0	111.6	M115 L377 T380 W381 V385 D391 A392 S393 L398 T399	M115-F395 HydrophobicContact CE-CE1 4.46Å; M115-F395 HydrophobicContact SD-CD1 3.8Å; M115-F395 HydrophobicContact SD-CE1 3.97Å; L377-F395 HydrophobicContact CB-CZ 4.21Å; L377-F395 HydrophobicContact CD2-CZ 4.25Å; L377-F395 WeakPolarHBondContact O-CE2 3.39Å; T380-F395 HydrophobicContact CG2-CD2 3.79Å; T380-F395 HydrophobicContact CG2-CE2 3.84Å; W381-F395 HydrophobicContact CB-CD2 4.45Å; W381-F395 HydrophobicContact CB-CE2 3.86Å; W381-F395 HydrophobicContact CB-CZ 4.39Å; W381-F395 AromaticContact CE3-CD1 3.85Å; W381-F395 HydrophobicContact CE3-CD1 3.85Å; W381-F395 AromaticContact CE3-CD2 3.76Å; W381-F395 HydrophobicContact CE3-CD2 3.76Å; W381-F395 AromaticContact CE3-CE1 3.9Å; W381-F395 HydrophobicContact CE3-CE1 3.9Å; W381-F395 AromaticContact CE3-CE2 3.81Å; W381-F395 HydrophobicContact CE3-CE2 3.81Å; W381-F395 AromaticContact CE3-CG 3.78Å; W381-F395 HydrophobicContact CE3-CG 3.78Å; W381-F395 AromaticContact CE3-CZ 3.88Å; W381-F395 HydrophobicContact CE3-CZ 3.88Å; W381-F395 AromaticContact CZ3-CD1 3.89Å; W381-F395 HydrophobicContact CZ3-CD1 3.89Å; W381-F395 HydrophobicContact CZ3-CD2 4.47Å; W381-F395 HydrophobicContact CZ3-CE1 4.19Å; W381-F395 HydrophobicContact CZ3-CG 4.05Å; V385-F395 HydrophobicContact CG2-CB 3.89Å; V385-F395 HydrophobicContact CG2-CD2 4.21Å; V385-F395 HydrophobicContact CG2-CG 4.27Å; D391-F395 PolarHBondContact O-N 3.04Å; A392-F395 WeakPolarHBondContact O-CB 3.24Å; A392-F395 PolarHBondContact O-N 2.76Å; S393-F395 VanDerWaalsContact C-N 3.32Å; S393-F395 PolarHBondContact O-N 3.39Å; F395-L398 PolarHBondContact O-N 3.44Å; F395-T399 HydrophobicContact CD2-CG2 4.18Å; F395-T399 HydrophobicContact CE1-CG2 4.47Å; F395-T399 HydrophobicContact CE2-CG2 3.9Å; F395-T399 HydrophobicContact CZ-CG2 4.06Å; F395-T399 WeakPolarHBondContact O-CB 3.43Å; F395-T399 WeakPolarHBondContact O-CG2 3.26Å; F395-T399 PolarHBondContact O-N 2.63Å; F395-T399 VanDerWaalsContact O-N 3.11Å; F395-T399 PolarHBondContact O-OG1 2.8Å
396	V	97.4	Very high	93.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-43	175	169.9	0	0	0	0	111.4	V74 M115 P116 A392 S393 T394 L398 T399 S400 S401	V74-V396 HydrophobicContact CG1-CG2 3.79Å; M115-V396 HydrophobicContact CB-CG2 3.87Å; M115-V396 HydrophobicContact CG-CG2 3.58Å; M115-V396 HydrophobicContact SD-CG2 3.87Å; P116-V396 HydrophobicContact CG-CG1 3.92Å; A392-V396 WeakPolarHBondContact O-CG2 3.48Å; A392-V396 PolarHBondContact O-N 3.06Å; S393-V396 WeakPolarHBondContact O-CB 3.32Å; S393-V396 PolarHBondContact O-N 3.23Å; T394-V396 VanDerWaalsContact C-N 3.34Å; T394-V396 PolarHBondContact O-N 3.27Å; V396-L398 PolarHBondContact O-N 3.4Å; V396-T399 PolarHBondContact O-N 3.32Å; V396-S400 PolarHBondContact O-N 3.38Å; V396-S400 PolarHBondContact O-OG 3.1Å; V396-S400 VanDerWaalsContact O-OG 3.05Å; V396-S401 WeakPolarHBondContact CG1-OG 3.22Å; V396-S401 PolarHBondContact O-N 2.97Å; V396-S401 VanDerWaalsContact O-N 3.08Å
397	S	97.1	Very high	94.3	Very high	23 Å²	23	27.2 Å²	27.2	16%	0.161	16%	0.157	C	C	.	.	I	π-helix	trans	-54.9	-49.8	175.2	-59.4	0	0	0	0	112.1	S76 S393 T394 N402	S76-S397 WeakPolarHBondContact CB-OG 3.27Å; S393-S397 PolarHBondContact O-N 3.45Å; S393-S397 PolarHBondContact O-OG 3.5Å; T394-S397 WeakPolarHBondContact O-CB 3.36Å; T394-S397 PolarHBondContact O-N 3.09Å; S397-N402 WeakPolarHBondContact O-CB 3.39Å; S397-N402 PolarHBondContact O-N 3.26Å; S397-N402 PolarHBondContact O-ND2 2.69Å; S397-N402 VanDerWaalsContact O-ND2 3.11Å
398	L	96.3	Very high	94.9	Very high	5 Å²	5	24 Å²	24	3%	0.026	14%	0.138	C	C	.	.	I	π-helix	trans	-72.6	-26.9	-173.8	-68.8	167.4	0	0	0	113.9	L346 I354 L390 T394 F395 V396	L346-L398 HydrophobicContact CB-CD1 4.18Å; L346-L398 HydrophobicContact CD2-CD1 3.88Å; L346-L398 HydrophobicContact CD2-CD2 3.69Å; L346-L398 HydrophobicContact CD2-CG 4.4Å; L346-L398 HydrophobicContact CG-CD1 4.47Å; I354-L398 HydrophobicContact CD1-CB 4.14Å; I354-L398 HydrophobicContact CD1-CD1 4.17Å; I354-L398 PolarHBondContact N-O 2.81Å; I354-L398 VanDerWaalsContact N-O 3.13Å; L390-L398 HydrophobicContact CD1-CD1 3.88Å; L390-L398 HydrophobicContact CD2-CD1 4.03Å; T394-L398 HydrophobicContact CG2-CD1 3.91Å; T394-L398 HydrophobicContact CG2-CG 4.29Å; T394-L398 VanDerWaalsContact O-CG 3.28Å; T394-L398 WeakPolarHBondContact O-CG 2.96Å; T394-L398 PolarHBondContact O-N 2.87Å; F395-L398 PolarHBondContact O-N 3.44Å; V396-L398 PolarHBondContact O-N 3.4Å
399	T	96.6	Very high	95.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	11%	0.109	C	C	.	.	I	π-helix	trans	-107.7	-20.3	-169.7	60.3	0	0	0	0	114.5	I119 R376 L377 T380 F395 V396	I119-T399 PolarHBondContact N-O 3.17Å; I119-T399 VanDerWaalsContact O-O 3.11Å; R376-T399 PolarHBondContact NH1-O 3.08Å; L377-T399 VanDerWaalsContact CD2-CB 3.49Å; L377-T399 HydrophobicContact CD2-CG2 3.63Å; T380-T399 HydrophobicContact CG2-CG2 4.01Å; F395-T399 HydrophobicContact CD2-CG2 4.18Å; F395-T399 HydrophobicContact CE1-CG2 4.47Å; F395-T399 HydrophobicContact CE2-CG2 3.9Å; F395-T399 HydrophobicContact CZ-CG2 4.06Å; F395-T399 WeakPolarHBondContact O-CB 3.43Å; F395-T399 WeakPolarHBondContact O-CG2 3.26Å; F395-T399 PolarHBondContact O-N 2.63Å; F395-T399 VanDerWaalsContact O-N 3.11Å; F395-T399 PolarHBondContact O-OG1 2.8Å; V396-T399 PolarHBondContact O-N 3.32Å
400	S	97.7	Very high	95.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-142.9	-60.7	-177.9	63.7	0	0	0	0	114.1	A117 V396 N402 A403 S404	A117-S400 WeakPolarHBondContact O-CB 3.35Å; V396-S400 PolarHBondContact O-N 3.38Å; V396-S400 PolarHBondContact O-OG 3.1Å; V396-S400 VanDerWaalsContact O-OG 3.05Å; S400-N402 PolarHBondContact O-N 3.34Å; S400-A403 WeakPolarHBondContact O-CB 3.45Å; S400-A403 PolarHBondContact O-N 3.37Å; S400-A403 VanDerWaalsContact O-N 3.15Å; S400-S404 PolarHBondContact O-N 3.04Å
401	S	97.7	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-62	-43.9	-169.5	-55.5	0	0	0	0	113.6	S76 V396 A403 S404 H405 G414	S76-S401 WeakPolarHBondContact CB-OG 3.27Å; S76-S401 VanDerWaalsContact OG-CB 3.29Å; S76-S401 WeakPolarHBondContact OG-CB 3.3Å; S76-S401 PolarHBondContact OG-OG 2.87Å; V396-S401 WeakPolarHBondContact CG1-OG 3.22Å; V396-S401 PolarHBondContact O-N 2.97Å; V396-S401 VanDerWaalsContact O-N 3.08Å; S401-A403 VanDerWaalsContact C-N 3.33Å; S401-A403 PolarHBondContact O-N 2.63Å; S401-S404 PolarHBondContact O-N 3.41Å; S401-S404 PolarHBondContact O-OG 2.69Å; S401-H405 PolarHBondContact O-CD2 3.31Å; S401-H405 PolarHBondContact O-N 3.31Å; S401-G414 WeakPolarHBondContact CA-O 3.29Å; S401-G414 WeakPolarHBondContact CB-O 3.43Å; S401-G414 PolarHBondContact OG-O 3.38Å
402	N	96.9	Very high	96	Very high	32 Å²	32	17.7 Å²	17.7	17%	0.171	9%	0.092	C	C	.	.	H	α-helix	trans	-63.9	-43	178	-70.7	-20.7	0	0	0	110.4	K352 L353 S397 S400 S404 H405 Y406	K352-N402 PolarHBondContact O-ND2 3.43Å; L353-N402 HydrophobicContact CD2-CB 3.64Å; S397-N402 WeakPolarHBondContact O-CB 3.39Å; S397-N402 PolarHBondContact O-N 3.26Å; S397-N402 PolarHBondContact O-ND2 2.69Å; S397-N402 VanDerWaalsContact O-ND2 3.11Å; S400-N402 PolarHBondContact O-N 3.34Å; N402-S404 VanDerWaalsContact C-N 3.32Å; N402-S404 PolarHBondContact O-N 2.78Å; N402-H405 WeakPolarHBondContact O-CB 3.3Å; N402-H405 PolarHBondContact O-N 3.11Å; N402-H405 VanDerWaalsContact O-N 3.15Å; N402-Y406 HydrophobicContact CB-CD2 4.43Å; N402-Y406 HydrophobicContact CB-CE2 4.06Å; N402-Y406 WeakPolarHBondContact O-CD2 3.47Å; N402-Y406 PolarHBondContact O-N 3.22Å
403	A	97.2	Very high	96.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-42.7	179.1	0	0	0	0	0	111.4	I119 M121 L353 S400 S401 H405 Y406 L407	I119-A403 HydrophobicContact CB-CB 3.84Å; I119-A403 HydrophobicContact CG2-CB 3.81Å; M121-A403 HydrophobicContact CG-CB 3.55Å; M121-A403 HydrophobicContact SD-CB 3.86Å; L353-A403 HydrophobicContact CD2-CB 3.86Å; S400-A403 WeakPolarHBondContact O-CB 3.45Å; S400-A403 PolarHBondContact O-N 3.37Å; S400-A403 VanDerWaalsContact O-N 3.15Å; S401-A403 VanDerWaalsContact C-N 3.33Å; S401-A403 PolarHBondContact O-N 2.63Å; A403-H405 VanDerWaalsContact C-N 3.32Å; A403-H405 PolarHBondContact O-N 2.75Å; A403-Y406 PolarHBondContact O-N 3.49Å; A403-L407 WeakPolarHBondContact O-CB 3.37Å; A403-L407 VanDerWaalsContact O-CG 3.31Å; A403-L407 WeakPolarHBondContact O-CG 3.39Å; A403-L407 PolarHBondContact O-N 2.83Å
404	S	97.2	Very high	96.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66	-32.6	177.7	71	0	0	0	0	112.9	S400 S401 N402 G408 L409 Y410 K413	S400-S404 PolarHBondContact O-N 3.04Å; S401-S404 PolarHBondContact O-N 3.41Å; S401-S404 PolarHBondContact O-OG 2.69Å; N402-S404 VanDerWaalsContact C-N 3.32Å; N402-S404 PolarHBondContact O-N 2.78Å; S404-G408 PolarHBondContact O-N 2.69Å; S404-G408 VanDerWaalsContact O-N 3.12Å; S404-L409 PolarHBondContact O-N 3.45Å; S404-Y410 PolarHBondContact O-N 3.07Å; S404-Y410 VanDerWaalsContact O-N 3.15Å; S404-K413 WeakPolarHBondContact CB-O 3.34Å; S404-K413 PolarHBondContact OG-O 3.38Å
405	H	95.9	Very high	96.4	Very high	39 Å²	39	15.2 Å²	15.2	18%	0.181	8%	0.076	C	C	.	.	H	α-helix	trans	-64.9	-48	170.1	-77.2	-66.7	0	0	0	112.4	S401 N402 A403 L407 G408 Y410 P491 T493	S401-H405 PolarHBondContact O-CD2 3.31Å; S401-H405 PolarHBondContact O-N 3.31Å; N402-H405 WeakPolarHBondContact O-CB 3.3Å; N402-H405 PolarHBondContact O-N 3.11Å; N402-H405 VanDerWaalsContact O-N 3.15Å; A403-H405 VanDerWaalsContact C-N 3.32Å; A403-H405 PolarHBondContact O-N 2.75Å; H405-L407 VanDerWaalsContact C-N 3.28Å; H405-L407 PolarHBondContact O-N 3.41Å; H405-G408 PolarHBondContact O-N 3.07Å; H405-G408 VanDerWaalsContact O-N 3.15Å; H405-Y410 AromaticContact CE1-CD1 3.26Å; H405-Y410 WeakPolarHBondContact CE1-CD1 3.38Å; H405-Y410 AromaticContact CE1-CD2 3.65Å; H405-Y410 AromaticContact CE1-CE1 3.63Å; H405-Y410 AromaticContact CE1-CE2 3.98Å; H405-Y410 AromaticContact CE1-CG 3.27Å; H405-Y410 AromaticContact CE1-CZ 3.96Å; H405-Y410 AromaticContact ND1-CD1 3.87Å; H405-Y410 AromaticContact ND1-CG 3.63Å; H405-Y410 AromaticContact NE2-CD1 3.96Å; H405-Y410 AromaticContact NE2-CD2 3.55Å; H405-Y410 AromaticContact NE2-CE2 3.69Å; H405-Y410 AromaticContact NE2-CG 3.69Å; H405-Y410 AromaticContact NE2-CZ 3.94Å; H405-P491 WeakPolarHBondContact O-CB 3.5Å; H405-T493 HydrophobicContact CB-CG2 4.24Å; H405-T493 PolarHBondContact CE1-OG1 3.4Å; H405-T493 PolarHBondContact ND1-OG1 2.74Å
406	Y	94.7	Very high	96.5	Very high	32 Å²	32	15.3 Å²	15.3	13%	0.125	8%	0.077	C	C	.	.	H	α-helix	trans	-62.8	-35.3	178.9	-68.7	-70.9	0	0	0	112.6	I249 I294 T320 K352 L353 N402 A403 G408 I494	I249-Y406 WeakPolarHBondContact CG1-O 3.44Å; I294-Y406 HydrophobicContact CD1-CD1 3.5Å; I294-Y406 HydrophobicContact CD1-CE1 4.04Å; I294-Y406 HydrophobicContact CD1-CG 3.85Å; I294-Y406 HydrophobicContact CG1-CD1 4.34Å; I294-Y406 HydrophobicContact CG1-CE1 4.48Å; T320-Y406 HydrophobicContact CG2-CE1 4.34Å; T320-Y406 HydrophobicContact CG2-CE2 4.21Å; T320-Y406 VanDerWaalsContact CG2-OH 3.25Å; T320-Y406 WeakPolarHBondContact CG2-OH 3.42Å; T320-Y406 PolarHBondContact OG1-OH 3.11Å; K352-Y406 HydrophobicContact CB-CE2 4.46Å; L353-Y406 HydrophobicContact CD1-CD2 3.65Å; L353-Y406 HydrophobicContact CD1-CE2 3.87Å; L353-Y406 HydrophobicContact CD1-CG 4.46Å; L353-Y406 HydrophobicContact CD2-CD2 4.1Å; L353-Y406 HydrophobicContact CD2-CE2 4.27Å; L353-Y406 HydrophobicContact CG-CD2 4.15Å; L353-Y406 HydrophobicContact CG-CE2 4.07Å; N402-Y406 HydrophobicContact CB-CD2 4.43Å; N402-Y406 HydrophobicContact CB-CE2 4.06Å; N402-Y406 WeakPolarHBondContact O-CD2 3.47Å; N402-Y406 PolarHBondContact O-N 3.22Å; A403-Y406 PolarHBondContact O-N 3.49Å; Y406-G408 VanDerWaalsContact C-N 3.33Å; Y406-I494 HydrophobicContact CD1-CD1 3.19Å; Y406-I494 HydrophobicContact CD1-CG1 4.05Å; Y406-I494 HydrophobicContact CE1-CD1 3.67Å; Y406-I494 HydrophobicContact CE1-CG1 4.02Å; Y406-I494 HydrophobicContact CG-CD1 4.08Å
407	L	95.6	Very high	96.5	Very high	2 Å²	2	17 Å²	17	1%	0.01	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.6	178.5	-64.1	169.6	0	0	0	113.4	I119 M121 V153 I185 N212 A403 H405 L409 G487	I119-L407 HydrophobicContact CG2-CD1 3.77Å; M121-L407 HydrophobicContact CE-CD2 4.11Å; M121-L407 HydrophobicContact CE-CG 4.14Å; M121-L407 HydrophobicContact SD-CD1 3.45Å; M121-L407 WeakPolarHBondContact SD-CD1 3.49Å; M121-L407 HydrophobicContact SD-CD2 3.77Å; M121-L407 HydrophobicContact SD-CG 3.45Å; M121-L407 WeakPolarHBondContact SD-CG 3.48Å; V153-L407 HydrophobicContact CG2-CD1 3.6Å; V153-L407 HydrophobicContact CG2-CD2 3.77Å; V153-L407 HydrophobicContact CG2-CG 4.31Å; I185-L407 HydrophobicContact CD1-CB 4.49Å; I185-L407 HydrophobicContact CD1-CD1 3.99Å; N212-L407 PolarHBondContact ND2-O 3.25Å; A403-L407 WeakPolarHBondContact O-CB 3.37Å; A403-L407 VanDerWaalsContact O-CG 3.31Å; A403-L407 WeakPolarHBondContact O-CG 3.39Å; A403-L407 PolarHBondContact O-N 2.83Å; H405-L407 VanDerWaalsContact C-N 3.28Å; H405-L407 PolarHBondContact O-N 3.41Å; L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 HydrophobicContact CB-CD1 3.87Å; L407-L409 HydrophobicContact CB-CG 3.83Å; L407-L409 HydrophobicContact CD1-CD1 3.98Å; L407-L409 PolarHBondContact O-N 3.26Å; L407-G487 WeakPolarHBondContact O-CA 3.37Å
408	G	95.2	Very high	96.4	Very high	9 Å²	9	18.6 Å²	18.6	9%	0.093	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	31.8	-176.4	0	0	0	0	0	113.5	S404 H405 Y406 K488	S404-G408 PolarHBondContact O-N 2.69Å; S404-G408 VanDerWaalsContact O-N 3.12Å; H405-G408 PolarHBondContact O-N 3.07Å; H405-G408 VanDerWaalsContact O-N 3.15Å; Y406-G408 VanDerWaalsContact C-N 3.33Å; G408-K488 WeakPolarHBondContact O-CB 3.23Å; G408-K488 PolarHBondContact O-N 3.21Å
409	L	96.3	Very high	96.4	Very high	11 Å²	11	20 Å²	20	6%	0.058	11%	0.109	C	C	.	.			trans	-101.3	-16	176.7	-58.4	173.6	0	0	0	112.8	I185 S404 L407 Y412 K413	I185-L409 HydrophobicContact CD1-CD1 3.49Å; I185-L409 VanDerWaalsContact CD1-CD1 3.49Å; I185-L409 HydrophobicContact CD1-CD2 4.13Å; I185-L409 HydrophobicContact CD1-CG 4.2Å; S404-L409 PolarHBondContact O-N 3.45Å; L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 HydrophobicContact CB-CD1 3.87Å; L407-L409 HydrophobicContact CB-CG 3.83Å; L407-L409 HydrophobicContact CD1-CD1 3.98Å; L407-L409 PolarHBondContact O-N 3.26Å; L409-Y412 WeakPolarHBondContact O-CA 3.31Å; L409-Y412 WeakPolarHBondContact O-CB 3.24Å; L409-Y412 PolarHBondContact O-N 2.92Å; L409-K413 HydrophobicContact CB-CB 4.22Å; L409-K413 HydrophobicContact CD1-CD 4.26Å; L409-K413 PolarHBondContact O-N 3.3Å
410	Y	96.1	Very high	96.4	Very high	42 Å²	42	20 Å²	20	17%	0.165	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	137.1	177.8	-169.2	-86.1	0	0	0	111.2	S404 H405 C415 Y417	S404-Y410 PolarHBondContact O-N 3.07Å; S404-Y410 VanDerWaalsContact O-N 3.15Å; H405-Y410 AromaticContact CE1-CD1 3.26Å; H405-Y410 WeakPolarHBondContact CE1-CD1 3.38Å; H405-Y410 AromaticContact CE1-CD2 3.65Å; H405-Y410 AromaticContact CE1-CE1 3.63Å; H405-Y410 AromaticContact CE1-CE2 3.98Å; H405-Y410 AromaticContact CE1-CG 3.27Å; H405-Y410 AromaticContact CE1-CZ 3.96Å; H405-Y410 AromaticContact ND1-CD1 3.87Å; H405-Y410 AromaticContact ND1-CG 3.63Å; H405-Y410 AromaticContact NE2-CD1 3.96Å; H405-Y410 AromaticContact NE2-CD2 3.55Å; H405-Y410 AromaticContact NE2-CE2 3.69Å; H405-Y410 AromaticContact NE2-CG 3.69Å; H405-Y410 AromaticContact NE2-CZ 3.94Å; Y410-C415 HydrophobicContact CE2-CB 3.92Å; Y410-Y417 WeakPolarHBondContact OH-CE2 3.48Å
411	P	94.6	Very high	96.4	Very high	26 Å²	26	20.8 Å²	20.8	17%	0.169	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.6	19.7	1.3	38	-34.3	0	0	0	113.9	I15 C415 S420	I15-P411 HydrophobicContact CG1-CG 4.04Å; P411-C415 PolarHBondContact O-SG 3.24Å; P411-S420 WeakPolarHBondContact O-CB 3.36Å; P411-S420 PolarHBondContact O-OG 3.37Å
412	Y	95.3	Very high	96.4	Very high	82 Å²	82	20.8 Å²	20.8	32%	0.322	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-34	177	-53.1	-68.1	0	0	0	112.1	L409 D421 K488	L409-Y412 WeakPolarHBondContact O-CA 3.31Å; L409-Y412 WeakPolarHBondContact O-CB 3.24Å; L409-Y412 PolarHBondContact O-N 2.92Å; Y412-D421 WeakPolarHBondContact O-CB 3.37Å; Y412-D421 PolarHBondContact O-N 2.83Å; Y412-K488 PolarHBondContact OH-NZ 3.24Å
413	K	97.3	Very high	96.4	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.017	11%	0.107	C	C	.	.	S	Bend	trans	-126.3	158.4	171.7	-61.5	-163.5	-173.8	-65.9	0	112	I119 T151 D183 S404 L409 D421 D423	I119-K413 HydrophobicContact CD1-CB 3.99Å; T151-K413 VanDerWaalsContact OG1-CD 3.32Å; T151-K413 WeakPolarHBondContact OG1-CD 3.41Å; T151-K413 WeakPolarHBondContact OG1-CE 3.32Å; D183-K413 WeakPolarHBondContact OD2-CE 3.37Å; D183-K413 IonicContact OD2-NZ 3.68Å; D183-K413 PolarHBondContact OD2-NZ 2.92Å; S404-K413 WeakPolarHBondContact CB-O 3.34Å; S404-K413 PolarHBondContact OG-O 3.38Å; L409-K413 HydrophobicContact CB-CB 4.22Å; L409-K413 HydrophobicContact CD1-CD 4.26Å; L409-K413 PolarHBondContact O-N 3.3Å; K413-D421 WeakPolarHBondContact CE-OD2 3.19Å; K413-D421 HydrophobicContact CG-CB 4.4Å; K413-D421 WeakPolarHBondContact CG-OD2 3.35Å; K413-D421 IonicContact NZ-OD2 2.94Å; K413-D421 PolarHBondContact NZ-OD2 3.33Å; K413-D423 IonicContact NZ-OD2 3.9Å; K413-D423 PolarHBondContact NZ-OD2 3.01Å
414	G	96.9	Very high	96.4	Very high	6 Å²	6	19.6 Å²	19.6	6%	0.062	11%	0.107	C	C	.	.	S	Bend	trans	80.1	16.5	175.7	0	0	0	0	0	115	S401	S401-G414 WeakPolarHBondContact CA-O 3.29Å; S401-G414 WeakPolarHBondContact CB-O 3.43Å; S401-G414 PolarHBondContact OG-O 3.38Å
415	C	97.3	Very high	96.3	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.02	11%	0.107	C	C	.	.	S	Bend	trans	-153.6	159.7	172.8	57	0	0	0	0	111.1	N75 Y410 P411 Y417 S420	N75-C415 WeakPolarHBondContact OD1-CA 3.45Å; Y410-C415 HydrophobicContact CE2-CB 3.92Å; P411-C415 PolarHBondContact O-SG 3.24Å; C415-Y417 HydrophobicContact CB-CD2 3.61Å; C415-Y417 HydrophobicContact CB-CE2 3.76Å; C415-S420 PolarHBondContact SG-OG 3.14Å
416	L	97.6	Very high	96.2	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.099	C	C	.	.			trans	-108.1	58.6	178.5	-55.2	177.4	0	0	0	110.7	L73 N75 I91 I114 P116 L424	L73-L416 HydrophobicContact CB-CD1 4.29Å; L73-L416 HydrophobicContact CD2-CB 3.81Å; L73-L416 HydrophobicContact CD2-CD1 3.8Å; L73-L416 HydrophobicContact CD2-CG 4.44Å; L73-L416 HydrophobicContact CG-CD1 4.43Å; N75-L416 PolarHBondContact OD1-N 3.32Å; I91-L416 HydrophobicContact CD1-CB 4.23Å; I91-L416 HydrophobicContact CD1-CD2 3.96Å; I114-L416 HydrophobicContact CB-CD1 4.48Å; I114-L416 HydrophobicContact CG2-CD1 4.01Å; I114-L416 VanDerWaalsContact O-CD1 3.26Å; I114-L416 WeakPolarHBondContact O-CD1 3.3Å; P116-L416 HydrophobicContact CG-CD2 4.22Å; P116-L416 HydrophobicContact CG-CG 3.95Å; L416-L424 HydrophobicContact CD2-CB 3.81Å; L416-L424 HydrophobicContact CD2-CD2 4.21Å
417	Y	96.3	Very high	96	Very high	35 Å²	35	16.3 Å²	16.3	14%	0.137	9%	0.093	C	C	.	.	S	Bend	trans	-108	154.3	176.7	-62.7	-55.3	0	0	0	111.3	D77 Y410 C415 G419 S420	D77-Y417 PolarHBondContact OD1-OH 3.43Å; D77-Y417 PolarHBondContact OD2-OH 2.91Å; Y410-Y417 WeakPolarHBondContact OH-CE2 3.48Å; C415-Y417 HydrophobicContact CB-CD2 3.61Å; C415-Y417 HydrophobicContact CB-CE2 3.76Å; Y417-G419 PolarHBondContact O-N 2.99Å; Y417-S420 VanDerWaalsContact O-CB 3.24Å; Y417-S420 WeakPolarHBondContact O-CB 3.34Å; Y417-S420 PolarHBondContact O-N 2.94Å; Y417-S420 PolarHBondContact O-OG 2.8Å; Y417-S420 VanDerWaalsContact O-OG 3.09Å
418	P	96.9	Very high	95.5	Very high	58 Å²	58	17 Å²	17	38%	0.377	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	127.9	168	-28.2	36.9	0	0	0	112	I15 I91	I15-P418 WeakPolarHBondContact CD1-O 3.35Å; I91-P418 CarbonylContact O-C 3.49Å; I91-P418 WeakPolarHBondContact O-CA 3.35Å
419	G	95.6	Very high	94.7	Very high	35 Å²	35	20 Å²	20	36%	0.361	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-16.2	-175.5	0	0	0	0	0	115.1	I91 Y417	I91-G419 PolarHBondContact O-N 3.49Å; Y417-G419 PolarHBondContact O-N 2.99Å
420	S	97.3	Very high	93.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.136	C	C	.	.	S	Bend	trans	-69.4	153.7	174.5	-56.6	0	0	0	0	111.8	K90 I91 P411 C415 Y417	K90-S420 WeakPolarHBondContact CA-O 3.27Å; K90-S420 WeakPolarHBondContact CD-O 3.24Å; I91-S420 PolarHBondContact N-O 3.31Å; P411-S420 WeakPolarHBondContact O-CB 3.36Å; P411-S420 PolarHBondContact O-OG 3.37Å; C415-S420 PolarHBondContact SG-OG 3.14Å; Y417-S420 VanDerWaalsContact O-CB 3.24Å; Y417-S420 WeakPolarHBondContact O-CB 3.34Å; Y417-S420 PolarHBondContact O-N 2.94Å; Y417-S420 PolarHBondContact O-OG 2.8Å; Y417-S420 VanDerWaalsContact O-OG 3.09Å
421	D	96.9	Very high	92.1	Very high	17 Å²	17	24.6 Å²	24.6	9%	0.091	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-58.2	137.3	165.9	-64.8	-11.2	0	0	0	109.1	K90 Y412 K413 D423	K90-D421 WeakPolarHBondContact CE-OD1 3.47Å; K90-D421 IonicContact NZ-OD1 2.77Å; K90-D421 PolarHBondContact NZ-OD1 2.91Å; Y412-D421 WeakPolarHBondContact O-CB 3.37Å; Y412-D421 PolarHBondContact O-N 2.83Å; K413-D421 WeakPolarHBondContact CE-OD2 3.19Å; K413-D421 HydrophobicContact CG-CB 4.4Å; K413-D421 WeakPolarHBondContact CG-OD2 3.35Å; K413-D421 IonicContact NZ-OD2 2.94Å; K413-D421 PolarHBondContact NZ-OD2 3.33Å; D421-D423 PolarHBondContact O-N 3.45Å
422	A	96.6	Very high	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.			trans	-79.7	61.1	176.1	0	0	0	0	0	111	I86 G89 I91 G447	I86-A422 HydrophobicContact CB-CB 4.33Å; I86-A422 HydrophobicContact CD1-CB 3.82Å; I86-A422 HydrophobicContact CG1-CB 3.81Å; I86-A422 HydrophobicContact CG2-CB 3.56Å; G89-A422 WeakPolarHBondContact O-CB 3.34Å; G89-A422 PolarHBondContact O-N 2.91Å; I91-A422 HydrophobicContact CG1-CB 4.21Å; A422-G447 PolarHBondContact O-N 2.83Å
423	D	97.4	Very high	89	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.043	15%	0.153	C	C	.	.			trans	-106.8	95.5	176.1	-74.3	-3.1	0	0	0	108.8	A117 T150 K413 D421 I444 H445 H446	A117-D423 HydrophobicContact CB-CB 4.32Å; A117-D423 PolarHBondContact N-O 2.86Å; T150-D423 HydrophobicContact CG2-CB 4.45Å; K413-D423 IonicContact NZ-OD2 3.9Å; K413-D423 PolarHBondContact NZ-OD2 3.01Å; D421-D423 PolarHBondContact O-N 3.45Å; D423-I444 WeakPolarHBondContact CA-O 3.35Å; D423-H445 IonicContact OD1-CD2 2.74Å; D423-H445 PolarHBondContact OD1-CD2 3.03Å; D423-H445 VanDerWaalsContact OD1-CD2 3.28Å; D423-H445 IonicContact OD2-CD2 3.04Å; D423-H446 PolarHBondContact OD1-N 3.2Å
424	L	96.9	Very high	87.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158.9	-171.2	66.6	77	0	0	0	112.5	I68 I84 I86 I114 M115 L416 I444	I68-L424 HydrophobicContact CD1-CD1 4.18Å; I68-L424 HydrophobicContact CD1-CD2 4.01Å; I84-L424 HydrophobicContact CD1-CD2 4.01Å; I86-L424 HydrophobicContact CD1-CD2 4.36Å; I114-L424 HydrophobicContact CG2-CB 4.44Å; I114-L424 HydrophobicContact CG2-CD1 3.92Å; I114-L424 HydrophobicContact CG2-CD2 4.06Å; I114-L424 HydrophobicContact CG2-CG 4.38Å; M115-L424 CarbonylContact O-C 3.53Å; M115-L424 VanDerWaalsContact O-CA 3.24Å; M115-L424 WeakPolarHBondContact O-CA 3.38Å; M115-L424 VanDerWaalsContact O-CB 3.31Å; M115-L424 WeakPolarHBondContact O-CB 3.26Å; L416-L424 HydrophobicContact CD2-CB 3.81Å; L416-L424 HydrophobicContact CD2-CD2 4.21Å; L424-I444 HydrophobicContact CD1-CB 3.86Å; L424-I444 HydrophobicContact CD1-CD1 3.62Å; L424-I444 HydrophobicContact CD1-CG1 3.76Å; L424-I444 HydrophobicContact CG-CB 4.01Å; L424-I444 HydrophobicContact CG-CD1 4.33Å; L424-I444 HydrophobicContact CG-CG1 4.44Å; L424-I444 PolarHBondContact N-O 2.94Å; L424-I444 PolarHBondContact O-N 3.09Å
425	I	96.1	Very high	85.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.3	174.5	60.4	178.9	0	0	0	109.3	I114 M115 A117 L377 W427 P440 I442 V443	I114-I425 WeakPolarHBondContact CA-O 3.41Å; M115-I425 HydrophobicContact CB-CD1 4.32Å; M115-I425 HydrophobicContact CB-CG1 3.84Å; M115-I425 HydrophobicContact CE-CD1 4.23Å; M115-I425 HydrophobicContact CE-CG1 4.37Å; M115-I425 PolarHBondContact N-O 2.87Å; M115-I425 PolarHBondContact O-N 2.89Å; A117-I425 HydrophobicContact CB-CG2 3.99Å; L377-I425 HydrophobicContact CD1-CD1 4Å; I425-W427 HydrophobicContact CD1-CE3 4.13Å; I425-W427 HydrophobicContact CD1-CZ3 4.34Å; I425-P440 HydrophobicContact CB-CB 4Å; I425-P440 HydrophobicContact CG2-CB 4.27Å; I425-I442 CarbonylContact C-O 3.53Å; I425-I442 VanDerWaalsContact CA-O 3.27Å; I425-I442 WeakPolarHBondContact CA-O 3.37Å; I425-V443 HydrophobicContact CG2-CB 4.44Å; I425-V443 HydrophobicContact CG2-CG1 4.14Å; I425-V443 HydrophobicContact CG2-CG2 4.11Å
426	C	93.7	Very high	83.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.4	168.5	-44	0	0	0	0	109.7	M112 L113 S441 I442	M112-C426 HydrophobicContact CB-CB 4.29Å; M112-C426 HydrophobicContact SD-CB 3.8Å; L113-C426 CarbonylContact O-C 3.53Å; L113-C426 VanDerWaalsContact O-CA 3.29Å; L113-C426 WeakPolarHBondContact O-CA 3.49Å; C426-S441 PolarHBondContact O-N 3.45Å; C426-I442 HydrophobicContact CB-CB 3.92Å; C426-I442 HydrophobicContact CB-CG2 4.42Å; C426-I442 PolarHBondContact N-O 2.93Å; C426-I442 PolarHBondContact O-N 2.8Å
427	W	89.8	Confident	81.3	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121	-178	-147.4	-72.2	0	0	0	109.6	M112 L113 M115 I378 W381 I425 N431 Q438 P440	M112-W427 CarbonylContact C-O 3.56Å; M112-W427 VanDerWaalsContact CA-O 3.26Å; M112-W427 WeakPolarHBondContact CA-O 3.45Å; L113-W427 PolarHBondContact N-O 3.19Å; L113-W427 PolarHBondContact O-N 3.46Å; M115-W427 HydrophobicContact CE-CB 3.64Å; M115-W427 HydrophobicContact CE-CE3 4.27Å; M115-W427 HydrophobicContact CE-CG 4.3Å; I378-W427 HydrophobicContact CG1-CH2 4.31Å; W381-W427 HydrophobicContact CB-CH2 4.49Å; W381-W427 HydrophobicContact CB-CZ2 4.33Å; W381-W427 AromaticContact CE2-NE1 3.82Å; W381-W427 HydrophobicContact CG-CZ2 4.08Å; W381-W427 AromaticContact CZ2-CD1 3.91Å; W381-W427 HydrophobicContact CZ2-CG 4.3Å; W381-W427 AromaticContact NE1-NE1 3.59Å; I425-W427 HydrophobicContact CD1-CE3 4.13Å; I425-W427 HydrophobicContact CD1-CZ3 4.34Å; W427-N431 VanDerWaalsContact CD1-CB 3.48Å; W427-Q438 WeakPolarHBondContact CH2-O 3.37Å; W427-Q438 WeakPolarHBondContact CZ2-O 3.43Å; W427-P440 HydrophobicContact CD2-CB 4.41Å; W427-P440 HydrophobicContact CE3-CB 3.58Å; W427-P440 HydrophobicContact CE3-CG 4.37Å; W427-P440 HydrophobicContact CZ3-CB 3.68Å; W427-P440 VanDerWaalsContact CZ3-CD 3.45Å; W427-P440 HydrophobicContact CZ3-CG 3.95Å
428	S	85.6	Confident	80	Confident	16 Å²	16	42.6 Å²	42.6	11%	0.112	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	142.4	178.4	179.9	0	0	0	0	111.7	E430 N431	S428-E430 PolarHBondContact O-N 3Å; S428-E430 PolarHBondContact OG-N 2.89Å; S428-N431 WeakPolarHBondContact O-CB 3.36Å; S428-N431 PolarHBondContact O-N 2.94Å; S428-N431 VanDerWaalsContact O-N 3.07Å
429	Y	79.2	Confident	79.2	Confident	73 Å²	73	43.6 Å²	43.6	29%	0.286	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.9	170.2	-66.5	-68	0	0	0	112	Q72 G111 L113 N431 I432	Q72-Y429 WeakPolarHBondContact CB-OH 3.33Å; Q72-Y429 WeakPolarHBondContact CG-OH 3.29Å; Q72-Y429 PolarHBondContact OE1-OH 3.11Å; G111-Y429 VanDerWaalsContact CA-CE2 3.48Å; G111-Y429 WeakPolarHBondContact O-CD2 3.31Å; G111-Y429 PolarHBondContact O-N 3.45Å; L113-Y429 HydrophobicContact CD1-CE1 4.45Å; L113-Y429 HydrophobicContact CD2-CD1 4.42Å; L113-Y429 HydrophobicContact CD2-CE1 3.45Å; L113-Y429 VanDerWaalsContact CD2-CE1 3.45Å; L113-Y429 HydrophobicContact CG-CD1 4.28Å; L113-Y429 HydrophobicContact CG-CE1 3.74Å; Y429-N431 PolarHBondContact O-N 2.93Å; Y429-I432 HydrophobicContact CD1-CD1 3.54Å; Y429-I432 HydrophobicContact CE1-CD1 4.33Å; Y429-I432 HydrophobicContact CG-CD1 4.41Å; Y429-I432 VanDerWaalsContact O-CB 3.23Å; Y429-I432 WeakPolarHBondContact O-CB 3.19Å; Y429-I432 PolarHBondContact O-N 3.15Å
430	E	71	Confident	78.7	Confident	141 Å²	141	41.9 Å²	41.9	66%	0.659	22%	0.221	S	C	*	.	H	α-helix	trans	-59.3	-33.5	177.1	-62.8	178.7	168.8	0	0	111	S428 I432 T433 D434	S428-E430 PolarHBondContact O-N 3Å; S428-E430 PolarHBondContact OG-N 2.89Å; E430-I432 VanDerWaalsContact C-N 3.27Å; E430-I432 PolarHBondContact O-N 3.3Å; E430-T433 PolarHBondContact O-N 3.43Å; E430-T433 PolarHBondContact O-OG1 2.97Å; E430-D434 WeakPolarHBondContact O-CB 3.24Å; E430-D434 PolarHBondContact O-N 2.9Å
431	N	66.6	Low	78.2	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.043	22%	0.223	C	C	.	.	H	α-helix	trans	-76.7	-9.4	175.7	-57.3	-6.8	0	0	0	113.3	W381 W427 S428 Y429 I437 Y439	W381-N431 PolarHBondContact NE1-O 3Å; W427-N431 VanDerWaalsContact CD1-CB 3.48Å; S428-N431 WeakPolarHBondContact O-CB 3.36Å; S428-N431 PolarHBondContact O-N 2.94Å; S428-N431 VanDerWaalsContact O-N 3.07Å; Y429-N431 PolarHBondContact O-N 2.93Å; N431-I437 WeakPolarHBondContact OD1-CB 3.41Å; N431-I437 VanDerWaalsContact OD1-CG2 3.31Å; N431-I437 WeakPolarHBondContact OD1-CG2 3.47Å; N431-Y439 PolarHBondContact ND2-O 3.43Å
432	I	62.1	Low	78	Confident	46 Å²	46	41.5 Å²	41.5	24%	0.236	22%	0.219	C	C	.	.	H	α-helix	trans	-74.3	-40.8	169.1	-63.5	172.1	0	0	0	109	L113 W381 P386 Y429 E430	L113-I432 HydrophobicContact CD1-CD1 3.79Å; W381-I432 HydrophobicContact CH2-CG1 4.44Å; W381-I432 HydrophobicContact CZ2-CD1 4.35Å; W381-I432 HydrophobicContact CZ2-CG1 3.59Å; P386-I432 WeakPolarHBondContact CB-O 3.41Å; P386-I432 WeakPolarHBondContact CG-O 3.35Å; Y429-I432 HydrophobicContact CD1-CD1 3.54Å; Y429-I432 HydrophobicContact CE1-CD1 4.33Å; Y429-I432 HydrophobicContact CG-CD1 4.41Å; Y429-I432 VanDerWaalsContact O-CB 3.23Å; Y429-I432 WeakPolarHBondContact O-CB 3.19Å; Y429-I432 PolarHBondContact O-N 3.15Å; E430-I432 VanDerWaalsContact C-N 3.27Å; E430-I432 PolarHBondContact O-N 3.3Å
433	T	61.2	Low	77.9	Confident	121 Å²	121	41.5 Å²	41.5	74%	0.742	22%	0.219	S	C	*	.	H	α-helix	trans	-88.1	-33.3	-175.6	49.9	0	0	0	0	113	E430	E430-T433 PolarHBondContact O-N 3.43Å; E430-T433 PolarHBondContact O-OG1 2.97Å
434	D	59.1	Low	77.7	Confident	70 Å²	70	41.1 Å²	41.1	37%	0.374	22%	0.217	S	C	.	.			trans	-99.1	110.5	-178.3	-165.4	-18.4	0	0	0	110.8	E430 T436	E430-D434 WeakPolarHBondContact O-CB 3.24Å; E430-D434 PolarHBondContact O-N 2.9Å; D434-T436 PolarHBondContact O-N 2.83Å; D434-T436 VanDerWaalsContact O-N 3.15Å; D434-T436 VanDerWaalsContact OD1-CB 3.27Å; D434-T436 WeakPolarHBondContact OD1-CB 3.43Å; D434-T436 VanDerWaalsContact OD1-CG2 3.28Å; D434-T436 WeakPolarHBondContact OD1-CG2 3.36Å; D434-T436 PolarHBondContact OD1-N 2.69Å; D434-T436 PolarHBondContact OD1-OG1 2.79Å; D434-T436 PolarHBondContact OD2-OG1 3.37Å; D434-T436 VanDerWaalsContact OD2-OG1 3.11Å
435	C	56.1	Low	77.6	Confident	69 Å²	69	41.1 Å²	41.1	47%	0.466	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-4.7	177.8	-67.4	0	0	0	0	114	Q438	C435-Q438 PolarHBondContact O-NE2 2.75Å
436	T	57.3	Low	77.4	Confident	100 Å²	100	43.1 Å²	43.1	61%	0.613	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-38.8	-176.8	66.6	0	0	0	0	112.9	D434	D434-T436 PolarHBondContact O-N 2.83Å; D434-T436 VanDerWaalsContact O-N 3.15Å; D434-T436 VanDerWaalsContact OD1-CB 3.27Å; D434-T436 WeakPolarHBondContact OD1-CB 3.43Å; D434-T436 VanDerWaalsContact OD1-CG2 3.28Å; D434-T436 WeakPolarHBondContact OD1-CG2 3.36Å; D434-T436 PolarHBondContact OD1-N 2.69Å; D434-T436 PolarHBondContact OD1-OG1 2.79Å; D434-T436 PolarHBondContact OD2-OG1 3.37Å; D434-T436 VanDerWaalsContact OD2-OG1 3.11Å
437	I	56.5	Low	77.2	Confident	87 Å²	87	43.6 Å²	43.6	45%	0.446	23%	0.232	S	C	.	.			trans	-93.6	112.1	179.7	-56.4	177.5	0	0	0	109.4	N431	N431-I437 WeakPolarHBondContact OD1-CB 3.41Å; N431-I437 VanDerWaalsContact OD1-CG2 3.31Å; N431-I437 WeakPolarHBondContact OD1-CG2 3.47Å
438	Q	68.2	Low	77.1	Confident	43 Å²	43	46.8 Å²	46.8	20%	0.201	24%	0.243	C	C	.	.			trans	-115.2	-10.7	-155.4	-91.1	178.2	32.2	0	0	113.9	Q375 I378 W427 C435	Q375-Q438 VanDerWaalsContact NE2-OE1 3.09Å; I378-Q438 WeakPolarHBondContact CB-O 3.46Å; I378-Q438 WeakPolarHBondContact CD1-O 3.3Å; I378-Q438 WeakPolarHBondContact CG1-O 3.05Å; I378-Q438 HydrophobicContact CG2-CB 3.5Å; I378-Q438 VanDerWaalsContact CG2-CB 3.5Å; I378-Q438 HydrophobicContact CG2-CG 3.91Å; I378-Q438 WeakPolarHBondContact CG2-O 3.33Å; W427-Q438 WeakPolarHBondContact CH2-O 3.37Å; W427-Q438 WeakPolarHBondContact CZ2-O 3.43Å; C435-Q438 PolarHBondContact O-NE2 2.75Å
439	Y	79.4	Confident	77.4	Confident	78 Å²	78	46.9 Å²	46.9	31%	0.306	24%	0.243	S	C	.	.	S	Bend	trans	-98.5	153.8	-175.5	-55.5	-84.6	0	0	0	111.2	R374 I378 N431 S441	R374-Y439 HydrophobicContact CG-CE1 4.35Å; I378-Y439 HydrophobicContact CD1-CD1 3.14Å; I378-Y439 HydrophobicContact CD1-CE1 3.25Å; I378-Y439 HydrophobicContact CD1-CG 3.95Å; I378-Y439 HydrophobicContact CG1-CD1 4.44Å; N431-Y439 PolarHBondContact ND2-O 3.43Å; Y439-S441 PolarHBondContact O-N 2.63Å
440	P	85.3	Confident	77.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.			trans	-57.1	130.3	161.4	24.4	-30	0	0	0	108.6	I425 W427 I442 V443	I425-P440 HydrophobicContact CB-CB 4Å; I425-P440 HydrophobicContact CG2-CB 4.27Å; W427-P440 HydrophobicContact CD2-CB 4.41Å; W427-P440 HydrophobicContact CE3-CB 3.58Å; W427-P440 HydrophobicContact CE3-CG 4.37Å; W427-P440 HydrophobicContact CZ3-CB 3.68Å; W427-P440 VanDerWaalsContact CZ3-CD 3.45Å; W427-P440 HydrophobicContact CZ3-CG 3.95Å; P440-I442 PolarHBondContact O-N 2.61Å; P440-V443 HydrophobicContact CB-CG2 4.33Å; P440-V443 HydrophobicContact CG-CG2 3.89Å
441	S	87.4	Confident	78.8	Confident	9 Å²	9	37 Å²	37	6%	0.063	20%	0.199	C	C	.	.	S	Bend	trans	-62.6	-35.2	179.7	-59.3	0	0	0	0	110.9	C426 Y439 Y452 N453	C426-S441 PolarHBondContact O-N 3.45Å; Y439-S441 PolarHBondContact O-N 2.63Å; S441-Y452 CarbonylContact O-C 3.59Å; S441-Y452 WeakPolarHBondContact O-CA 3.29Å; S441-N453 PolarHBondContact O-N 3.49Å
442	I	92	Very high	79.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.9	-178.4	-72.9	168.6	0	0	0	109.5	L107 M112 I425 C426 P440 I444 L449 V451 Y452	L107-I442 HydrophobicContact CD1-CD1 3.53Å; L107-I442 HydrophobicContact CD2-CD1 3.89Å; L107-I442 HydrophobicContact CD2-CG2 4.36Å; L107-I442 HydrophobicContact CG-CD1 4.3Å; M112-I442 HydrophobicContact SD-CD1 4.43Å; I425-I442 CarbonylContact C-O 3.53Å; I425-I442 VanDerWaalsContact CA-O 3.27Å; I425-I442 WeakPolarHBondContact CA-O 3.37Å; C426-I442 HydrophobicContact CB-CB 3.92Å; C426-I442 HydrophobicContact CB-CG2 4.42Å; C426-I442 PolarHBondContact N-O 2.93Å; C426-I442 PolarHBondContact O-N 2.8Å; P440-I442 PolarHBondContact O-N 2.61Å; I442-I444 HydrophobicContact CG2-CD1 4.27Å; I442-I444 HydrophobicContact CG2-CG1 3.75Å; I442-L449 HydrophobicContact CB-CD1 4.23Å; I442-L449 HydrophobicContact CG1-CD1 4.24Å; I442-L449 HydrophobicContact CG2-CD1 3.27Å; I442-V451 WeakPolarHBondContact CA-O 3.38Å; I442-Y452 HydrophobicContact CG1-CD2 3.89Å; I442-Y452 HydrophobicContact CG1-CE2 4.32Å
443	V	94.1	Very high	80.9	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.3	166.2	-171.9	0	0	0	0	108.9	L145 T150 I425 P440 V450 V451	L145-V443 HydrophobicContact CD1-CG1 4.16Å; T150-V443 HydrophobicContact CG2-CG1 4.02Å; I425-V443 HydrophobicContact CG2-CB 4.44Å; I425-V443 HydrophobicContact CG2-CG1 4.14Å; I425-V443 HydrophobicContact CG2-CG2 4.11Å; P440-V443 HydrophobicContact CB-CG2 4.33Å; P440-V443 HydrophobicContact CG-CG2 3.89Å; V443-V450 PolarHBondContact O-N 2.77Å; V443-V451 HydrophobicContact CB-CB 3.71Å; V443-V451 HydrophobicContact CB-CG2 3.87Å; V443-V451 HydrophobicContact CG2-CB 3.75Å; V443-V451 HydrophobicContact CG2-CG1 4.22Å; V443-V451 HydrophobicContact CG2-CG2 4.09Å; V443-V451 PolarHBondContact N-O 2.89Å; V443-V451 PolarHBondContact O-N 3.03Å
444	I	93.9	Very high	82	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.1	174.7	-54.6	-171.2	0	0	0	107.8	L66 I68 L107 D423 L424 I442 G447 R448 L449	L66-I444 HydrophobicContact CD2-CD1 3.68Å; I68-I444 HydrophobicContact CD1-CD1 3.55Å; L107-I444 HydrophobicContact CD2-CD1 4.1Å; D423-I444 WeakPolarHBondContact CA-O 3.35Å; L424-I444 HydrophobicContact CD1-CB 3.86Å; L424-I444 HydrophobicContact CD1-CD1 3.62Å; L424-I444 HydrophobicContact CD1-CG1 3.76Å; L424-I444 HydrophobicContact CG-CB 4.01Å; L424-I444 HydrophobicContact CG-CD1 4.33Å; L424-I444 HydrophobicContact CG-CG1 4.44Å; L424-I444 PolarHBondContact N-O 2.94Å; L424-I444 PolarHBondContact O-N 3.09Å; I442-I444 HydrophobicContact CG2-CD1 4.27Å; I442-I444 HydrophobicContact CG2-CG1 3.75Å; I444-G447 VanDerWaalsContact CG2-C 3.5Å; I444-R448 VanDerWaalsContact CA-O 3.27Å; I444-R448 WeakPolarHBondContact CA-O 3.35Å; I444-R448 WeakPolarHBondContact CG2-O 3.33Å; I444-L449 HydrophobicContact CG1-CD1 4.13Å
445	H	94.7	Very high	83.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.5	-180	179.9	-136.9	0	0	0	108.2	L145 T150 W181 D183 D423 G447 R448 V450	L145-H445 HydrophobicContact CD1-CB 4.14Å; T150-H445 HydrophobicContact CG2-CB 3.99Å; W181-H445 PolarHBondContact O-CE1 2.77Å; W181-H445 VanDerWaalsContact O-CE1 3.26Å; W181-H445 PolarHBondContact O-ND1 3.27Å; W181-H445 VanDerWaalsContact O-ND1 3.16Å; D183-H445 IonicContact OD1-NE2 3.43Å; D423-H445 IonicContact OD1-CD2 2.74Å; D423-H445 PolarHBondContact OD1-CD2 3.03Å; D423-H445 VanDerWaalsContact OD1-CD2 3.28Å; D423-H445 IonicContact OD2-CD2 3.04Å; H445-G447 PolarHBondContact O-N 3.23Å; H445-G447 VanDerWaalsContact O-N 3.16Å; H445-R448 PolarHBondContact N-O 2.92Å; H445-R448 PolarHBondContact O-N 3.28Å; H445-V450 HydrophobicContact CB-CG2 4.11Å
446	H	92.2	Very high	84.9	Confident	42 Å²	42	35.7 Å²	35.7	19%	0.194	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	39	-172	-66.7	-62.7	0	0	0	112.8	G89 D183 D423 R448	G89-H446 VanDerWaalsContact CA-O 3.24Å; G89-H446 WeakPolarHBondContact CA-O 3.43Å; D183-H446 IonicContact OD1-CE1 3.72Å; D183-H446 IonicContact OD1-NE2 2.65Å; D183-H446 PolarHBondContact OD1-NE2 3.4Å; D183-H446 IonicContact OD2-CE1 3.7Å; D183-H446 PolarHBondContact OD2-CE1 2.89Å; D183-H446 IonicContact OD2-NE2 2.91Å; D183-H446 PolarHBondContact OD2-NE2 3.25Å; D423-H446 PolarHBondContact OD1-N 3.2Å; H446-R448 PolarHBondContact O-N 2.78Å
447	G	89.5	Confident	86.1	Confident	11 Å²	11	32.1 Å²	32.1	11%	0.113	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	1.9	178.3	0	0	0	0	0	116	A422 I444 H445	A422-G447 PolarHBondContact O-N 2.83Å; I444-G447 VanDerWaalsContact CG2-C 3.5Å; H445-G447 PolarHBondContact O-N 3.23Å; H445-G447 VanDerWaalsContact O-N 3.16Å
448	R	88.7	Confident	86.6	Confident	67 Å²	67	36 Å²	36	25%	0.253	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.2	177.6	-61.3	-176.8	-173.9	-172	-9	110.3	E64 I444 H445 H446 V450 Q481	E64-R448 IonicContact OE1-CZ 2.69Å; E64-R448 IonicContact OE1-NH2 2.75Å; E64-R448 PolarHBondContact OE1-NH2 3.22Å; E64-R448 IonicContact OE2-CZ 3.89Å; E64-R448 VanDerWaalsContact OE2-CZ 3.29Å; E64-R448 IonicContact OE2-NE 3.88Å; E64-R448 PolarHBondContact OE2-NE 2.87Å; E64-R448 IonicContact OE2-NH2 2.79Å; E64-R448 PolarHBondContact OE2-NH2 3.01Å; I444-R448 VanDerWaalsContact CA-O 3.27Å; I444-R448 WeakPolarHBondContact CA-O 3.35Å; I444-R448 WeakPolarHBondContact CG2-O 3.33Å; H445-R448 PolarHBondContact N-O 2.92Å; H445-R448 PolarHBondContact O-N 3.28Å; H446-R448 PolarHBondContact O-N 2.78Å; R448-V450 WeakPolarHBondContact O-CG2 3.34Å; R448-V450 PolarHBondContact O-N 3.32Å; R448-Q481 VanDerWaalsContact CD-OE1 3.3Å
449	L	89.9	Confident	85.8	Confident	18 Å²	18	36.4 Å²	36.4	9%	0.094	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	111.9	174.2	179.3	67.8	0	0	0	108.9	I442 I444 I457 I466	I442-L449 HydrophobicContact CB-CD1 4.23Å; I442-L449 HydrophobicContact CG1-CD1 4.24Å; I442-L449 HydrophobicContact CG2-CD1 3.27Å; I444-L449 HydrophobicContact CG1-CD1 4.13Å; L449-I457 HydrophobicContact CB-CD1 4.39Å; L449-I457 HydrophobicContact CD1-CD1 4.34Å; L449-I457 HydrophobicContact CD2-CD1 3.55Å; L449-I457 HydrophobicContact CG-CD1 3.42Å; L449-I457 VanDerWaalsContact CG-CD1 3.42Å; L449-I466 HydrophobicContact CD2-CD1 3.89Å
450	V	90.3	Very high	83.8	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-41.1	-173.9	-169.6	0	0	0	0	112.6	L145 W181 V443 H445 R448 L456 I457 N478	L145-V450 HydrophobicContact CD2-CB 4.16Å; L145-V450 HydrophobicContact CD2-CG1 3.57Å; W181-V450 HydrophobicContact CE3-CG1 4.1Å; W181-V450 HydrophobicContact CZ3-CG1 3.89Å; V443-V450 PolarHBondContact O-N 2.77Å; H445-V450 HydrophobicContact CB-CG2 4.11Å; R448-V450 WeakPolarHBondContact O-CG2 3.34Å; R448-V450 PolarHBondContact O-N 3.32Å; V450-L456 HydrophobicContact CG1-CD2 3.92Å; V450-I457 PolarHBondContact O-N 3.49Å; V450-N478 PolarHBondContact O-ND2 3.25Å
451	V	90.5	Very high	81.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.4	-176	-172.6	0	0	0	0	110	L145 L146 I442 V443 N455 L456	L145-V451 HydrophobicContact CD2-CG2 4.12Å; L145-V451 HydrophobicContact CG-CG2 4.02Å; L146-V451 HydrophobicContact CD2-CB 4.49Å; L146-V451 HydrophobicContact CD2-CG1 3.75Å; L146-V451 HydrophobicContact CD2-CG2 3.94Å; I442-V451 WeakPolarHBondContact CA-O 3.38Å; V443-V451 HydrophobicContact CB-CB 3.71Å; V443-V451 HydrophobicContact CB-CG2 3.87Å; V443-V451 HydrophobicContact CG2-CB 3.75Å; V443-V451 HydrophobicContact CG2-CG1 4.22Å; V443-V451 HydrophobicContact CG2-CG2 4.09Å; V443-V451 PolarHBondContact N-O 2.89Å; V443-V451 PolarHBondContact O-N 3.03Å; V451-N455 CarbonylContact C-O 3.26Å; V451-N455 WeakPolarHBondContact CA-O 3.43Å; V451-N455 WeakPolarHBondContact CG1-O 3.38Å; V451-L456 HydrophobicContact CG2-CD2 4.26Å
452	Y	88.3	Confident	78.8	Confident	59 Å²	59	49.1 Å²	49.1	23%	0.231	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.9	171.3	-176.2	-107.7	0	0	0	109.9	S441 I442 G454 N455 I466	S441-Y452 CarbonylContact O-C 3.59Å; S441-Y452 WeakPolarHBondContact O-CA 3.29Å; I442-Y452 HydrophobicContact CG1-CD2 3.89Å; I442-Y452 HydrophobicContact CG1-CE2 4.32Å; Y452-G454 VanDerWaalsContact C-N 3.29Å; Y452-G454 PolarHBondContact O-N 3.43Å; Y452-N455 PolarHBondContact N-O 3.17Å; Y452-N455 PolarHBondContact O-N 3.41Å; Y452-I466 HydrophobicContact CD2-CG2 4.25Å; Y452-I466 HydrophobicContact CE2-CG2 3.91Å
453	N	84.5	Confident	76.1	Confident	80 Å²	80	55.6 Å²	55.6	43%	0.428	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	49.7	-177.9	-68.6	-22.3	0	0	0	113.1	S441 N455	S441-N453 PolarHBondContact O-N 3.49Å; N453-N455 VanDerWaalsContact C-N 3.25Å; N453-N455 PolarHBondContact O-N 3.44Å; N453-N455 PolarHBondContact O-ND2 3.1Å
454	G	83.8	Confident	73.4	Confident	1 Å²	1	59 Å²	59	1%	0.01	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	10.1	178.2	0	0	0	0	0	115.5	R374 Y452	R374-G454 PolarHBondContact NH2-O 3.12Å; Y452-G454 VanDerWaalsContact C-N 3.29Å; Y452-G454 PolarHBondContact O-N 3.43Å
455	N	87.6	Confident	70.8	Confident	110 Å²	110	64.5 Å²	64.5	59%	0.588	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.5	177.7	-66	-64.6	0	0	0	111.1	V451 Y452 N453 I457	V451-N455 CarbonylContact C-O 3.26Å; V451-N455 WeakPolarHBondContact CA-O 3.43Å; V451-N455 WeakPolarHBondContact CG1-O 3.38Å; Y452-N455 PolarHBondContact N-O 3.17Å; Y452-N455 PolarHBondContact O-N 3.41Å; N453-N455 VanDerWaalsContact C-N 3.25Å; N453-N455 PolarHBondContact O-N 3.44Å; N453-N455 PolarHBondContact O-ND2 3.1Å; N455-I457 PolarHBondContact O-N 3.06Å
456	L	88.1	Confident	68.5	Low	38 Å²	38	65.1 Å²	65.1	20%	0.199	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134.3	168.1	-69	178.5	0	0	0	109.2	K142 L145 L146 W181 V450 V451 K458	K142-L456 HydrophobicContact CD-CD1 3.92Å; K142-L456 VanDerWaalsContact CE-CD1 3.44Å; K142-L456 HydrophobicContact CG-CD1 4.16Å; L145-L456 HydrophobicContact CD2-CD2 4.36Å; L146-L456 HydrophobicContact CD2-CD2 4.02Å; L146-L456 HydrophobicContact CD2-CG 3.98Å; W181-L456 HydrophobicContact CE3-CD1 4.38Å; W181-L456 HydrophobicContact CE3-CD2 3.82Å; W181-L456 HydrophobicContact CH2-CD1 3.45Å; W181-L456 VanDerWaalsContact CH2-CD1 3.45Å; W181-L456 HydrophobicContact CH2-CD2 4.06Å; W181-L456 HydrophobicContact CH2-CG 4.36Å; W181-L456 HydrophobicContact CZ2-CD1 3.61Å; W181-L456 HydrophobicContact CZ3-CD1 3.86Å; W181-L456 HydrophobicContact CZ3-CD2 3.56Å; W181-L456 HydrophobicContact CZ3-CG 4.34Å; V450-L456 HydrophobicContact CG1-CD2 3.92Å; V451-L456 HydrophobicContact CG2-CD2 4.26Å; L456-K458 PolarHBondContact O-N 3.1Å
457	I	82.5	Confident	66.4	Low	25 Å²	25	69.6 Å²	69.6	13%	0.128	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-66.4	134.2	172	-63.8	169.5	0	0	0	108.3	L449 V450 N455 L464 I466 N478	L449-I457 HydrophobicContact CB-CD1 4.39Å; L449-I457 HydrophobicContact CD1-CD1 4.34Å; L449-I457 HydrophobicContact CD2-CD1 3.55Å; L449-I457 HydrophobicContact CG-CD1 3.42Å; L449-I457 VanDerWaalsContact CG-CD1 3.42Å; V450-I457 PolarHBondContact O-N 3.49Å; N455-I457 PolarHBondContact O-N 3.06Å; I457-L464 HydrophobicContact CG2-CD1 4.22Å; I457-I466 HydrophobicContact CD1-CD1 4.08Å; I457-N478 PolarHBondContact N-ND2 3.37Å; I457-N478 VanDerWaalsContact O-CB 3.23Å; I457-N478 WeakPolarHBondContact O-CB 3.4Å; I457-N478 PolarHBondContact O-ND2 3.2Å
458	K	67.8	Low	64.5	Low	168 Å²	168	70.2 Å²	70.2	73%	0.73	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-94.8	120.7	175.5	-69.3	-177.8	-179.5	176.8	0	107.8	L456 T460	L456-K458 PolarHBondContact O-N 3.1Å; K458-T460 PolarHBondContact O-N 2.78Å
459	G	51.5	Low	62.5	Low	51 Å²	51	67.2 Å²	67.2	53%	0.526	37%	0.366	S	S	.	.	S	Bend	trans	-69.6	21.3	-172.7	0	0	0	0	0	116.5
460	T	37.9	Very low	60.4	Low	119 Å²	119	72.4 Å²	72.4	73%	0.73	39%	0.394	S	S	*	.	S	Bend	trans	-155.5	96.2	-179.5	42.4	0	0	0	0	109.7	K458	K458-T460 PolarHBondContact O-N 2.78Å
461	T	31.3	Very low	58.4	Low	100 Å²	100	79.1 Å²	79.1	61%	0.613	42%	0.423	S	S	*	.			trans	166.5	136.2	147.5	31.1	0	0	0	0	109	D463	T461-D463 PolarHBondContact O-N 3.37Å
462	N	36.6	Very low	56.5	Low	135 Å²	135	80.7 Å²	80.7	72%	0.722	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	10.4	176.3	-76.7	-26.6	0	0	0	114.9
463	D	34.6	Very low	54.2	Low	137 Å²	137	82.4 Å²	82.4	73%	0.733	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-6.2	-167.7	-66.8	-29.6	0	0	0	113.9	T461 M465	T461-D463 PolarHBondContact O-N 3.37Å; D463-M465 VanDerWaalsContact C-N 3.33Å; D463-M465 PolarHBondContact O-N 3.18Å
464	L	38.3	Very low	52.1	Low	72 Å²	72	87.6 Å²	87.6	38%	0.377	47%	0.466	S	S	.	.			trans	-92.1	74.7	164.2	-73.4	170.3	0	0	0	108.6	I457 I466	I457-L464 HydrophobicContact CG2-CD1 4.22Å; L464-I466 HydrophobicContact CB-CG1 4.26Å; L464-I466 PolarHBondContact O-N 2.88Å
465	M	37.7	Very low	50.2	Low	114 Å²	114	90.6 Å²	90.6	56%	0.562	49%	0.486	S	S	*	.			trans	-62.4	82.4	147.4	-73.9	-109.1	73.2	0	0	106	D463 N467	D463-M465 VanDerWaalsContact C-N 3.33Å; D463-M465 PolarHBondContact O-N 3.18Å; M465-N467 PolarHBondContact O-N 2.91Å
466	I	47.8	Very low	48.4	Very low	14 Å²	14	88.4 Å²	88.4	7%	0.072	47%	0.472	C	S	.	.			trans	-61.2	93.9	158.2	-65.7	164.9	0	0	0	102.3	L449 Y452 I457 L464 P468 C469	L449-I466 HydrophobicContact CD2-CD1 3.89Å; Y452-I466 HydrophobicContact CD2-CG2 4.25Å; Y452-I466 HydrophobicContact CE2-CG2 3.91Å; I457-I466 HydrophobicContact CD1-CD1 4.08Å; L464-I466 HydrophobicContact CB-CG1 4.26Å; L464-I466 PolarHBondContact O-N 2.88Å; I466-P468 HydrophobicContact CG2-CG 3.64Å; I466-C469 HydrophobicContact CB-CB 4.13Å; I466-C469 HydrophobicContact CG2-CB 3.93Å; I466-C469 WeakPolarHBondContact O-CA 3.2Å; I466-C469 PolarHBondContact O-N 3.34Å
467	N	48	Very low	46.5	Very low	137 Å²	137	90 Å²	90	73%	0.733	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-16.6	-175	-82.4	-25.8	0	0	0	115	M465	M465-N467 PolarHBondContact O-N 2.91Å
468	P	49.7	Very low	45.7	Very low	23 Å²	23	90.8 Å²	90.8	15%	0.149	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.6	165.7	26.1	-30.8	0	0	0	115.9	L107 D108 I466	L107-P468 HydrophobicContact CD1-CB 3.89Å; L107-P468 HydrophobicContact CD1-CG 4Å; D108-P468 HydrophobicContact CB-CB 4.12Å; D108-P468 WeakPolarHBondContact CB-O 3.5Å; D108-P468 PolarHBondContact N-O 3.17Å; D108-P468 WeakPolarHBondContact O-CB 3.37Å; I466-P468 HydrophobicContact CG2-CG 3.64Å
469	C	45.2	Very low	46.2	Very low	5 Å²	5	87.4 Å²	87.4	3%	0.034	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	98.4	-172.7	-71.6	0	0	0	0	113.2	T106 L107 I466 K471 L472	T106-C469 WeakPolarHBondContact O-CA 3.41Å; L107-C469 WeakPolarHBondContact CD1-SG 3.27Å; I466-C469 HydrophobicContact CB-CB 4.13Å; I466-C469 HydrophobicContact CG2-CB 3.93Å; I466-C469 WeakPolarHBondContact O-CA 3.2Å; I466-C469 PolarHBondContact O-N 3.34Å; C469-K471 PolarHBondContact O-N 3.14Å; C469-L472 HydrophobicContact CB-CB 4.22Å; C469-L472 HydrophobicContact CB-CD1 3.67Å; C469-L472 WeakPolarHBondContact SG-CD1 3.31Å
470	N	46.9	Very low	47.9	Very low	126 Å²	126	86.4 Å²	86.4	67%	0.674	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	119	163.9	-73.8	-31.1	0	0	0	109.1
471	K	48.6	Very low	50.3	Low	148 Å²	148	83.5 Å²	83.5	64%	0.643	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	17.2	169	-52.8	178.8	175.1	179.1	0	119.6	C469 N473	C469-K471 PolarHBondContact O-N 3.14Å; K471-N473 PolarHBondContact O-N 3.16Å; K471-N473 VanDerWaalsContact O-N 3.17Å
472	L	50.5	Low	53.1	Low	32 Å²	32	79.3 Å²	79.3	17%	0.168	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-72	-2.2	172.3	-104.1	138.6	0	0	0	114.5	L66 P105 C469 E474 C475	L66-L472 HydrophobicContact CD1-CD1 4.06Å; P105-L472 HydrophobicContact CB-CG 4.09Å; C469-L472 HydrophobicContact CB-CB 4.22Å; C469-L472 HydrophobicContact CB-CD1 3.67Å; C469-L472 WeakPolarHBondContact SG-CD1 3.31Å; L472-E474 PolarHBondContact O-N 3.13Å; L472-C475 HydrophobicContact CD2-CB 4.06Å; L472-C475 PolarHBondContact O-N 2.83Å; L472-C475 VanDerWaalsContact O-N 3.09Å
473	N	38.7	Very low	55.8	Low	95 Å²	95	75 Å²	75	51%	0.508	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-62.4	0.4	-173.4	-71.4	-1.3	0	0	0	116.6	K471	K471-N473 PolarHBondContact O-N 3.16Å; K471-N473 VanDerWaalsContact O-N 3.17Å
474	E	40.3	Very low	58.6	Low	189 Å²	189	71.7 Å²	71.7	88%	0.883	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-116.3	0.3	174.5	-74.1	-173.5	162.1	0	0	114.5	L472 Q476	L472-E474 PolarHBondContact O-N 3.13Å; E474-Q476 PolarHBondContact O-N 3.27Å
475	C	44	Very low	61.3	Low	64 Å²	64	70.9 Å²	70.9	43%	0.432	37%	0.373	S	S	.	.			trans	-98.7	98.8	-169.4	-77.7	0	0	0	0	113.7	L472	L472-C475 HydrophobicContact CD2-CB 4.06Å; L472-C475 PolarHBondContact O-N 2.83Å; L472-C475 VanDerWaalsContact O-N 3.09Å
476	Q	50.8	Low	64	Low	65 Å²	65	70.2 Å²	70.2	30%	0.304	37%	0.371	S	S	.	.			trans	69.2	125.8	142.5	-60.2	164.3	-4.7	0	0	117.7	E64 E474 N478	E64-Q476 PolarHBondContact OE1-NE2 2.99Å; E64-Q476 PolarHBondContact OE2-NE2 3.26Å; E474-Q476 PolarHBondContact O-N 3.27Å; Q476-N478 PolarHBondContact O-N 3.16Å
477	S	47.5	Very low	66.1	Low	72 Å²	72	69.9 Å²	69.9	50%	0.503	37%	0.371	S	S	.	.			trans	-52.5	126.6	173.7	60.7	0	0	0	0	110.6	Q479	S477-Q479 PolarHBondContact O-N 2.95Å
478	N	65.3	Low	68.3	Low	41 Å²	41	68.8 Å²	68.8	22%	0.219	36%	0.36	C	S	.	.			trans	-63.2	80.5	169.5	-95.8	35.2	0	0	0	110.2	V450 I457 Q476	V450-N478 PolarHBondContact O-ND2 3.25Å; I457-N478 PolarHBondContact N-ND2 3.37Å; I457-N478 VanDerWaalsContact O-CB 3.23Å; I457-N478 WeakPolarHBondContact O-CB 3.4Å; I457-N478 PolarHBondContact O-ND2 3.2Å; Q476-N478 PolarHBondContact O-N 3.16Å
479	Q	78.4	Confident	70.5	Confident	96 Å²	96	70.4 Å²	70.4	45%	0.449	37%	0.367	S	S	.	.			trans	-103.5	148.2	171.4	-70.4	-169.8	12.4	0	0	109.2	S477 Q481	S477-Q479 PolarHBondContact O-N 2.95Å; Q479-Q481 WeakPolarHBondContact O-CG 3.47Å; Q479-Q481 PolarHBondContact O-N 3.18Å
480	P	87.9	Confident	72.9	Confident	30 Å²	30	74.9 Å²	74.9	20%	0.195	39%	0.386	C	S	.	.			trans	-55.7	129.2	167.2	20.2	-31	0	0	0	111.2	K179 F180 W181	K179-P480 HydrophobicContact CB-CB 3.81Å; K179-P480 HydrophobicContact CB-CG 3.48Å; K179-P480 VanDerWaalsContact CB-CG 3.48Å; K179-P480 HydrophobicContact CD-CG 4.33Å; K179-P480 WeakPolarHBondContact O-CB 3.47Å; F180-P480 CarbonylContact O-C 3.56Å; F180-P480 VanDerWaalsContact O-C 3.26Å; F180-P480 VanDerWaalsContact O-CA 3.29Å; F180-P480 WeakPolarHBondContact O-CA 3.3Å; F180-P480 WeakPolarHBondContact O-CB 3.17Å; W181-P480 HydrophobicContact CD2-CB 4.15Å; W181-P480 HydrophobicContact CG-CB 4.24Å
481	Q	87	Confident	75.1	Confident	59 Å²	59	69.4 Å²	69.4	28%	0.276	36%	0.357	S	S	.	.			trans	-125	0.4	-179.2	-60	-173.9	-73.8	0	0	114.2	F180 R448 Q479	F180-Q481 PolarHBondContact O-N 3.39Å; R448-Q481 VanDerWaalsContact CD-OE1 3.3Å; Q479-Q481 WeakPolarHBondContact O-CG 3.47Å; Q479-Q481 PolarHBondContact O-N 3.18Å
482	G	92	Very high	77.1	Confident	11 Å²	11	65.5 Å²	65.5	11%	0.113	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-57	143.1	175.5	0	0	0	0	0	111.6	F180 C182	F180-G482 WeakPolarHBondContact O-CA 3.47Å; F180-G482 PolarHBondContact O-N 3.49Å; C182-G482 VanDerWaalsContact C-CA 3.49Å; C182-G482 VanDerWaalsContact O-CA 3.29Å; C182-G482 WeakPolarHBondContact O-CA 3.25Å
483	S	92.9	Very high	78.8	Confident	45 Å²	45	67.2 Å²	67.2	32%	0.315	36%	0.36	S	S	.	.			trans	-129.7	157.5	-175	62.8	0	0	0	0	111.2	D183 I184 Q485	D183-S483 CarbonylContact C-O 3.6Å; D183-S483 WeakPolarHBondContact CA-O 2.99Å; D183-S483 PolarHBondContact OD1-N 3.43Å; D183-S483 PolarHBondContact OD1-OG 2.96Å; I184-S483 PolarHBondContact N-O 2.88Å; S483-Q485 PolarHBondContact O-N 2.91Å; S483-Q485 PolarHBondContact OG-NE2 3.26Å
484	L	93.7	Very high	81.3	Confident	67 Å²	67	63.2 Å²	63.2	35%	0.351	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-73.8	118.3	169.6	-72	170.8	0	0	0	109.1	F175 F180 I184 I186	F175-L484 HydrophobicContact CB-CD1 4.45Å; F180-L484 HydrophobicContact CE2-CG 4.5Å; I184-L484 HydrophobicContact CB-CD2 4.03Å; I184-L484 HydrophobicContact CG2-CD2 4.06Å; I184-L484 CarbonylContact O-C 3.57Å; I184-L484 WeakPolarHBondContact O-CA 3.42Å; I186-L484 HydrophobicContact CD1-CD2 3.92Å; I186-L484 HydrophobicContact CG1-CD2 4.12Å
485	Q	93.9	Very high	83.9	Confident	55 Å²	55	54.3 Å²	54.3	26%	0.257	30%	0.297	S	S	.	.			trans	-101.3	151.1	-179.6	-67	-67.9	-9.5	0	0	111.3	D183 I184 I185 S483	D183-Q485 HydrophobicContact CB-CG 3.75Å; D183-Q485 PolarHBondContact OD2-NE2 3.22Å; I184-Q485 PolarHBondContact O-N 3.47Å; I185-Q485 HydrophobicContact CD1-CB 4.24Å; I185-Q485 HydrophobicContact CG1-CB 3.74Å; S483-Q485 PolarHBondContact O-N 2.91Å; S483-Q485 PolarHBondContact OG-NE2 3.26Å
486	I	94.2	Very high	86.2	Confident	101 Å²	101	55.9 Å²	55.9	52%	0.518	30%	0.301	S	S	.	.			trans	-122.8	124.9	174.5	-63.6	173.1	0	0	0	108.1
487	G	92.5	Very high	88	Confident	6 Å²	6	57.9 Å²	57.9	6%	0.062	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-88	153	176.4	0	0	0	0	0	113.3	N212 L407	N212-G487 WeakPolarHBondContact ND2-CA 3.42Å; L407-G487 WeakPolarHBondContact O-CA 3.37Å
488	K	94.5	Very high	90.1	Very high	115 Å²	115	54.4 Å²	54.4	50%	0.5	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-68.2	137.3	177.5	-66.1	-179.5	179.8	176.7	0	110.9	G408 Y412	G408-K488 WeakPolarHBondContact O-CB 3.23Å; G408-K488 PolarHBondContact O-N 3.21Å; Y412-K488 PolarHBondContact OH-NZ 3.24Å
489	L	95.8	Very high	91.3	Very high	56 Å²	56	55.8 Å²	55.8	29%	0.293	29%	0.294	S	S	.	.	S	Bend	trans	-72	158	167	-63.2	170.9	0	0	0	110.2	T206 N212	T206-L489 HydrophobicContact CG2-CD2 4.35Å; N212-L489 HydrophobicContact CB-CD2 4.04Å
490	F	95.5	Very high	91.9	Very high	99 Å²	99	52.2 Å²	52.2	43%	0.434	28%	0.283	S	S	.	.	S	Bend	trans	52.6	55.3	-176	-57.1	-86.4	0	0	0	113.4	Q245 T246 G247 S492 Y495	Q245-F490 WeakPolarHBondContact O-CZ 3.25Å; T246-F490 VanDerWaalsContact C-CZ 3.41Å; T246-F490 VanDerWaalsContact O-CE2 3.26Å; T246-F490 WeakPolarHBondContact O-CE2 3.39Å; G247-F490 VanDerWaalsContact CA-CD1 3.41Å; G247-F490 VanDerWaalsContact CA-CZ 3.47Å; G247-F490 VanDerWaalsContact N-CZ 3.29Å; G247-F490 PolarHBondContact O-N 3.37Å; F490-S492 PolarHBondContact O-N 2.59Å; F490-Y495 HydrophobicContact CB-CG 4.39Å; F490-Y495 AromaticContact CD1-CD1 3.73Å; F490-Y495 HydrophobicContact CD1-CD1 3.73Å; F490-Y495 HydrophobicContact CD1-CE1 4.06Å; F490-Y495 AromaticContact CD1-CG 3.97Å; F490-Y495 HydrophobicContact CD1-CG 3.97Å; F490-Y495 HydrophobicContact CE1-CD1 4.28Å; F490-Y495 HydrophobicContact CE1-CE1 4.3Å
491	P	93.9	Very high	91.9	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.071	28%	0.28	C	S	.	.			trans	-54.1	119.3	173.6	22.6	-33.9	0	0	0	110.3	I249 H405 T493 I494 Y495	I249-P491 HydrophobicContact CD1-CG 4Å; I249-P491 HydrophobicContact CG1-CG 4.36Å; H405-P491 WeakPolarHBondContact O-CB 3.5Å; P491-T493 VanDerWaalsContact C-N 3.28Å; P491-T493 PolarHBondContact O-N 2.97Å; P491-I494 HydrophobicContact CB-CD1 4.35Å; P491-I494 HydrophobicContact CG-CB 4.44Å; P491-I494 HydrophobicContact CG-CD1 3.84Å; P491-I494 PolarHBondContact O-N 3Å; P491-Y495 HydrophobicContact CG-CD2 4.06Å; P491-Y495 HydrophobicContact CG-CE2 4.37Å; P491-Y495 PolarHBondContact O-N 2.83Å
492	S	90.3	Very high	91.9	Very high	67 Å²	67	51.2 Å²	51.2	47%	0.469	28%	0.275	S	S	.	.	H	α-helix	trans	-56.4	-41.1	-171	50.6	0	0	0	0	112.4	F490 I494 D496	F490-S492 PolarHBondContact O-N 2.59Å; S492-I494 PolarHBondContact O-N 2.87Å; S492-D496 WeakPolarHBondContact CB-OD2 3.29Å; S492-D496 WeakPolarHBondContact O-CB 3.43Å; S492-D496 PolarHBondContact O-N 3.31Å
493	T	86.6	Confident	91.8	Very high	67 Å²	67	58.6 Å²	58.6	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-52.5	-25.2	177.4	-50.9	0	0	0	0	113.8	H405 P491	H405-T493 HydrophobicContact CB-CG2 4.24Å; H405-T493 PolarHBondContact CE1-OG1 3.4Å; H405-T493 PolarHBondContact ND1-OG1 2.74Å; P491-T493 VanDerWaalsContact C-N 3.28Å; P491-T493 PolarHBondContact O-N 2.97Å
494	I	90.8	Very high	91.5	Very high	12 Å²	12	60.9 Å²	60.9	6%	0.062	31%	0.307	C	S	.	.	H	α-helix	trans	-109	-55.6	-178.5	-60.3	159.7	0	0	0	109.9	I249 P292 Y406 P491 S492 D496 Q497 V498	I249-I494 HydrophobicContact CD1-CD1 3.66Å; I249-I494 HydrophobicContact CD1-CG2 4.16Å; I249-I494 HydrophobicContact CG1-CD1 4.42Å; P292-I494 HydrophobicContact CB-CG2 3.45Å; P292-I494 VanDerWaalsContact CB-CG2 3.45Å; P292-I494 HydrophobicContact CG-CG2 3.82Å; Y406-I494 HydrophobicContact CD1-CD1 3.19Å; Y406-I494 HydrophobicContact CD1-CG1 4.05Å; Y406-I494 HydrophobicContact CE1-CD1 3.67Å; Y406-I494 HydrophobicContact CE1-CG1 4.02Å; Y406-I494 HydrophobicContact CG-CD1 4.08Å; P491-I494 HydrophobicContact CB-CD1 4.35Å; P491-I494 HydrophobicContact CG-CB 4.44Å; P491-I494 HydrophobicContact CG-CD1 3.84Å; P491-I494 PolarHBondContact O-N 3Å; S492-I494 PolarHBondContact O-N 2.87Å; I494-D496 VanDerWaalsContact C-N 3.33Å; I494-D496 PolarHBondContact O-N 3.05Å; I494-Q497 PolarHBondContact O-N 2.88Å; I494-V498 WeakPolarHBondContact O-CG2 3.45Å; I494-V498 PolarHBondContact O-N 3.28Å
495	Y	93.9	Very high	91.1	Very high	2 Å²	2	60 Å²	60	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-73.7	-22	-170.8	-83.9	-89.9	0	0	0	113.5	C243 G247 S248 I249 P292 F490 P491 Q497 V498 N499	C243-Y495 PolarHBondContact O-OH 3.05Å; G247-Y495 VanDerWaalsContact CA-CZ 3.45Å; G247-Y495 WeakPolarHBondContact CA-OH 3.34Å; G247-Y495 WeakPolarHBondContact O-CE2 3.42Å; S248-Y495 PolarHBondContact N-OH 2.85Å; S248-Y495 PolarHBondContact O-OH 3.29Å; I249-Y495 HydrophobicContact CD1-CD2 4.5Å; I249-Y495 HydrophobicContact CD1-CE2 3.76Å; P292-Y495 HydrophobicContact CG-CE1 4.32Å; P292-Y495 HydrophobicContact CG-CE2 4.14Å; F490-Y495 HydrophobicContact CB-CG 4.39Å; F490-Y495 AromaticContact CD1-CD1 3.73Å; F490-Y495 HydrophobicContact CD1-CD1 3.73Å; F490-Y495 HydrophobicContact CD1-CE1 4.06Å; F490-Y495 AromaticContact CD1-CG 3.97Å; F490-Y495 HydrophobicContact CD1-CG 3.97Å; F490-Y495 HydrophobicContact CE1-CD1 4.28Å; F490-Y495 HydrophobicContact CE1-CE1 4.3Å; P491-Y495 HydrophobicContact CG-CD2 4.06Å; P491-Y495 HydrophobicContact CG-CE2 4.37Å; P491-Y495 PolarHBondContact O-N 2.83Å; Y495-Q497 VanDerWaalsContact C-N 3.29Å; Y495-Q497 PolarHBondContact O-N 3.03Å; Y495-V498 HydrophobicContact CD1-CB 4.42Å; Y495-V498 HydrophobicContact CD1-CG1 4.49Å; Y495-V498 PolarHBondContact O-N 3.03Å; Y495-N499 WeakPolarHBondContact O-CB 2.99Å; Y495-N499 PolarHBondContact O-N 2.83Å; Y495-N499 PolarHBondContact O-ND2 2.87Å
496	D	92.1	Very high	90.6	Very high	97 Å²	97	64.6 Å²	64.6	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-38.1	174.5	-71.3	-13.8	0	0	0	111.4	S492 I494 G500	S492-D496 WeakPolarHBondContact CB-OD2 3.29Å; S492-D496 WeakPolarHBondContact O-CB 3.43Å; S492-D496 PolarHBondContact O-N 3.31Å; I494-D496 VanDerWaalsContact C-N 3.33Å; I494-D496 PolarHBondContact O-N 3.05Å; D496-G500 PolarHBondContact O-N 2.86Å
497	Q	88.7	Confident	90.1	Very high	106 Å²	106	63.7 Å²	63.7	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-73.3	-38.7	176.2	-58.4	-173.5	-6.6	0	0	111.4	H318 I494 Y495 G500 F501	H318-Q497 WeakPolarHBondContact CE1-CB 3.28Å; H318-Q497 PolarHBondContact CE1-OE1 2.97Å; H318-Q497 PolarHBondContact ND1-OE1 3.4Å; H318-Q497 VanDerWaalsContact NE2-C 3.27Å; H318-Q497 WeakPolarHBondContact NE2-CB 3.38Å; H318-Q497 PolarHBondContact NE2-O 3Å; I494-Q497 PolarHBondContact O-N 2.88Å; Y495-Q497 VanDerWaalsContact C-N 3.29Å; Y495-Q497 PolarHBondContact O-N 3.03Å; Q497-G500 PolarHBondContact O-N 3.16Å; Q497-F501 PolarHBondContact O-N 3.38Å
498	V	91.7	Very high	89.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-57.3	-49.8	171.9	174.9	0	0	0	0	110.2	N290 P292 H318 I494 Y495 F501 E502	N290-V498 PolarHBondContact ND2-O 3.04Å; N290-V498 WeakPolarHBondContact O-CG1 3.38Å; P292-V498 HydrophobicContact CB-CG2 4.15Å; P292-V498 HydrophobicContact CG-CG2 4.05Å; H318-V498 HydrophobicContact CB-CG2 4.25Å; H318-V498 WeakPolarHBondContact CD2-CG2 2.99Å; H318-V498 PolarHBondContact NE2-N 2.71Å; I494-V498 WeakPolarHBondContact O-CG2 3.45Å; I494-V498 PolarHBondContact O-N 3.28Å; Y495-V498 HydrophobicContact CD1-CB 4.42Å; Y495-V498 HydrophobicContact CD1-CG1 4.49Å; Y495-V498 PolarHBondContact O-N 3.03Å; V498-F501 PolarHBondContact O-N 2.84Å; V498-E502 PolarHBondContact O-N 3.44Å
499	N	91.8	Very high	88.8	Confident	70 Å²	70	71.2 Å²	71.2	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-36.1	179.3	-70.1	-29.3	0	0	0	112	Y495 E502 R503	Y495-N499 WeakPolarHBondContact O-CB 2.99Å; Y495-N499 PolarHBondContact O-N 2.83Å; Y495-N499 PolarHBondContact O-ND2 2.87Å; N499-E502 PolarHBondContact O-N 3.2Å; N499-R503 WeakPolarHBondContact O-CG 3.2Å; N499-R503 PolarHBondContact O-N 2.96Å; N499-R503 PolarHBondContact O-NE 3Å
500	G	90.1	Very high	87.7	Confident	21 Å²	21	74.8 Å²	74.8	22%	0.216	38%	0.376	C	S	.	.	H	α-helix	trans	-58.2	-48.3	170.3	0	0	0	0	0	111.6	D496 Q497 R503 L504	D496-G500 PolarHBondContact O-N 2.86Å; Q497-G500 PolarHBondContact O-N 3.16Å; G500-R503 WeakPolarHBondContact O-CB 3.4Å; G500-R503 PolarHBondContact O-N 2.94Å; G500-L504 PolarHBondContact O-N 2.92Å; G500-L504 VanDerWaalsContact O-N 3.13Å
501	F	88.4	Confident	87	Confident	31 Å²	31	75 Å²	75	14%	0.136	39%	0.387	C	S	.	.	H	α-helix	trans	-67.2	-39.4	178	-177.4	-154.2	0	0	0	112.7	N290 P315 Q497 V498 R503 L504 R505	N290-F501 HydrophobicContact CB-CD1 4.35Å; N290-F501 VanDerWaalsContact OD1-CD1 3.31Å; N290-F501 WeakPolarHBondContact OD1-CD1 3.29Å; P315-F501 HydrophobicContact CB-CD2 4.19Å; P315-F501 HydrophobicContact CB-CE2 4.46Å; P315-F501 HydrophobicContact CG-CD1 4.36Å; P315-F501 HydrophobicContact CG-CD2 3.15Å; P315-F501 HydrophobicContact CG-CE1 4.28Å; P315-F501 HydrophobicContact CG-CE2 3.08Å; P315-F501 HydrophobicContact CG-CG 3.83Å; P315-F501 HydrophobicContact CG-CZ 3.69Å; Q497-F501 PolarHBondContact O-N 3.38Å; V498-F501 PolarHBondContact O-N 2.84Å; F501-R503 VanDerWaalsContact C-N 3.28Å; F501-R503 PolarHBondContact O-N 3.34Å; F501-L504 PolarHBondContact O-N 2.91Å; F501-L504 VanDerWaalsContact O-N 3.15Å; F501-R505 HydrophobicContact CD2-CG 3.9Å; F501-R505 VanDerWaalsContact CE1-CZ 3.44Å; F501-R505 HydrophobicContact CE2-CG 3.64Å; F501-R505 HydrophobicContact CZ-CG 4.15Å; F501-R505 VanDerWaalsContact CZ-NH2 3.31Å; F501-R505 WeakPolarHBondContact O-CG 3.01Å; F501-R505 PolarHBondContact O-N 2.93Å
502	E	87.7	Confident	86.5	Confident	36 Å²	36	80.7 Å²	80.7	17%	0.168	42%	0.415	C	S	.	.	H	α-helix	trans	-57	-42.6	172.6	-80.9	-53.9	143.9	0	0	112.3	K244 N290 V498 N499 L504 R505 K506	K244-E502 IonicContact NZ-OE1 3.94Å; K244-E502 PolarHBondContact NZ-OE1 3.3Å; N290-E502 VanDerWaalsContact CB-OE1 3.28Å; N290-E502 WeakPolarHBondContact CB-OE1 3.46Å; N290-E502 WeakPolarHBondContact ND2-CG 3.43Å; N290-E502 PolarHBondContact ND2-OE1 2.91Å; V498-E502 PolarHBondContact O-N 3.44Å; N499-E502 PolarHBondContact O-N 3.2Å; E502-L504 PolarHBondContact O-N 3.06Å; E502-R505 PolarHBondContact O-N 2.76Å; E502-K506 WeakPolarHBondContact O-CG 3.43Å; E502-K506 PolarHBondContact O-N 3.01Å
503	R	88.4	Confident	86.2	Confident	167 Å²	167	84 Å²	84	63%	0.63	43%	0.432	S	S	*	.	H	α-helix	trans	-60.2	-46	175.6	-74.2	179.7	-74.3	-174.7	-0.6	111	N499 G500 F501 K506 T507	N499-R503 WeakPolarHBondContact O-CG 3.2Å; N499-R503 PolarHBondContact O-N 2.96Å; N499-R503 PolarHBondContact O-NE 3Å; G500-R503 WeakPolarHBondContact O-CB 3.4Å; G500-R503 PolarHBondContact O-N 2.94Å; F501-R503 VanDerWaalsContact C-N 3.28Å; F501-R503 PolarHBondContact O-N 3.34Å; R503-K506 PolarHBondContact O-N 2.87Å; R503-T507 WeakPolarHBondContact O-CG2 3.36Å; R503-T507 PolarHBondContact O-N 3.01Å; R503-T507 PolarHBondContact O-OG1 3.44Å
504	L	86.3	Confident	86.1	Confident	92 Å²	92	90 Å²	90	48%	0.482	45%	0.447	S	S	.	.	H	α-helix	trans	-63.8	-40.2	177.5	-69	173.7	0	0	0	113.3	G500 F501 E502 T507 N508	G500-L504 PolarHBondContact O-N 2.92Å; G500-L504 VanDerWaalsContact O-N 3.13Å; F501-L504 PolarHBondContact O-N 2.91Å; F501-L504 VanDerWaalsContact O-N 3.15Å; E502-L504 PolarHBondContact O-N 3.06Å; L504-T507 WeakPolarHBondContact CA-OG1 3.24Å; L504-T507 PolarHBondContact O-N 2.96Å; L504-T507 PolarHBondContact O-OG1 3.01Å; L504-N508 WeakPolarHBondContact O-CB 3.24Å; L504-N508 PolarHBondContact O-N 3.01Å; L504-N508 VanDerWaalsContact O-N 3.09Å
505	R	85.3	Confident	85.7	Confident	48 Å²	48	97.7 Å²	97.7	18%	0.181	48%	0.483	C	S	.	.	H	α-helix	trans	-60.7	-47.7	174.9	-74.6	-178.2	-177.3	-164.9	-5.3	110.9	T287 S288 F501 E502 T507 N508 Q509	T287-R505 PolarHBondContact O-NH2 2.87Å; S288-R505 PolarHBondContact O-NH1 3.25Å; F501-R505 HydrophobicContact CD2-CG 3.9Å; F501-R505 VanDerWaalsContact CE1-CZ 3.44Å; F501-R505 HydrophobicContact CE2-CG 3.64Å; F501-R505 HydrophobicContact CZ-CG 4.15Å; F501-R505 VanDerWaalsContact CZ-NH2 3.31Å; F501-R505 WeakPolarHBondContact O-CG 3.01Å; F501-R505 PolarHBondContact O-N 2.93Å; E502-R505 PolarHBondContact O-N 2.76Å; R505-T507 VanDerWaalsContact C-N 3.34Å; R505-T507 PolarHBondContact O-N 3.37Å; R505-N508 PolarHBondContact O-N 3.29Å; R505-Q509 WeakPolarHBondContact O-CB 3.33Å; R505-Q509 VanDerWaalsContact O-CG 3.3Å; R505-Q509 WeakPolarHBondContact O-CG 3.3Å; R505-Q509 PolarHBondContact O-N 3.01Å
506	K	85.3	Confident	85.2	Confident	153 Å²	153	102.9 Å²	102.9	67%	0.665	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-37.4	179.3	-71.8	176.7	-177.3	-178.8	0	112.6	E502 R503	E502-K506 WeakPolarHBondContact O-CG 3.43Å; E502-K506 PolarHBondContact O-N 3.01Å; R503-K506 PolarHBondContact O-N 2.87Å
507	T	83.7	Confident	84.6	Confident	81 Å²	81	105.7 Å²	105.7	50%	0.497	52%	0.521	S	S	.	.	H	α-helix	trans	-70.4	-31.6	176.6	53	0	0	0	0	113	R503 L504 R505 I510	R503-T507 WeakPolarHBondContact O-CG2 3.36Å; R503-T507 PolarHBondContact O-N 3.01Å; R503-T507 PolarHBondContact O-OG1 3.44Å; L504-T507 WeakPolarHBondContact CA-OG1 3.24Å; L504-T507 PolarHBondContact O-N 2.96Å; L504-T507 PolarHBondContact O-OG1 3.01Å; R505-T507 VanDerWaalsContact C-N 3.34Å; R505-T507 PolarHBondContact O-N 3.37Å; T507-I510 VanDerWaalsContact O-CG1 3.31Å; T507-I510 WeakPolarHBondContact O-CG1 3.28Å
508	N	80.9	Confident	84.1	Confident	134 Å²	134	103.9 Å²	103.9	72%	0.717	52%	0.517	S	S	*	.	H	α-helix	trans	-86.9	-23.3	-179.9	-68.8	-12.1	0	0	0	113	L504 R505 I510	L504-N508 WeakPolarHBondContact O-CB 3.24Å; L504-N508 PolarHBondContact O-N 3.01Å; L504-N508 VanDerWaalsContact O-N 3.09Å; R505-N508 PolarHBondContact O-N 3.29Å; N508-I510 VanDerWaalsContact C-N 3.26Å; N508-I510 PolarHBondContact O-N 3.01Å; N508-I510 VanDerWaalsContact O-N 3.12Å
509	Q	77.4	Confident	83.2	Confident	146 Å²	146	108.7 Å²	108.7	68%	0.682	54%	0.541	S	S	*	.			trans	-85.4	64.7	173.7	-69.5	178.3	1.1	0	0	110.7	R505 P511	R505-Q509 WeakPolarHBondContact O-CB 3.33Å; R505-Q509 VanDerWaalsContact O-CG 3.3Å; R505-Q509 WeakPolarHBondContact O-CG 3.3Å; R505-Q509 PolarHBondContact O-N 3.01Å; Q509-P511 WeakPolarHBondContact O-CD 3.35Å
510	I	74	Confident	82.1	Confident	131 Å²	131	110.7 Å²	110.7	67%	0.672	55%	0.552	S	S	*	*			trans	-81.7	117.7	172.4	-57.1	172.5	0	0	0	107.2	T507 N508 I512	T507-I510 VanDerWaalsContact O-CG1 3.31Å; T507-I510 WeakPolarHBondContact O-CG1 3.28Å; N508-I510 VanDerWaalsContact C-N 3.26Å; N508-I510 PolarHBondContact O-N 3.01Å; N508-I510 VanDerWaalsContact O-N 3.12Å; I510-I512 PolarHBondContact O-N 3.29Å
511	P	80.4	Confident	80.9	Confident	104 Å²	104	113.2 Å²	113.2	68%	0.675	56%	0.56	S	S	*	*			trans	-59	130.4	173.3	25.5	-32.7	0	0	0	108.6	Q509 V513	Q509-P511 WeakPolarHBondContact O-CD 3.35Å; P511-V513 PolarHBondContact O-N 3.05Å
512	I	82.6	Confident	79.6	Confident	129 Å²	129	114.5 Å²	114.5	66%	0.662	57%	0.568	S	S	*	*			trans	-65.5	105.2	174.9	-58.2	174.5	0	0	0	106.8	I510 R514	I510-I512 PolarHBondContact O-N 3.29Å; I512-R514 HydrophobicContact CG2-CG 3.91Å; I512-R514 PolarHBondContact O-N 2.73Å; I512-R514 VanDerWaalsContact O-N 3.13Å
513	V	83.6	Confident	78.4	Confident	137 Å²	137	116.9 Å²	116.9	83%	0.83	58%	0.582	S	S	*	*			trans	-66.9	112.7	175	-177	0	0	0	0	107.3	P511	P511-V513 PolarHBondContact O-N 3.05Å
514	R	84.9	Confident	77.1	Confident	192 Å²	192	115.2 Å²	115.2	73%	0.725	58%	0.581	S	S	*	*			trans	-116.9	153.2	173.2	-62	-176.8	-178.6	172.1	0	107.9	I512	I512-R514 HydrophobicContact CG2-CG 3.91Å; I512-R514 PolarHBondContact O-N 2.73Å; I512-R514 VanDerWaalsContact O-N 3.13Å
515	E	83.6	Confident	75.9	Confident	174 Å²	174	114.3 Å²	114.3	81%	0.813	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-56.7	143.1	165.4	-65.5	-168.9	164.5	0	0	109.3	W517	E515-W517 PolarHBondContact O-N 3.38Å; E515-W517 VanDerWaalsContact O-N 3.14Å
516	P	82.4	Confident	74.9	Confident	111 Å²	111	116.5 Å²	116.5	72%	0.721	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-52.7	126.8	172.4	-19.4	29.4	0	0	0	108.1	T518	P516-T518 PolarHBondContact O-N 3.34Å; P516-T518 VanDerWaalsContact O-N 3.11Å
517	W	80.4	Confident	73.7	Confident	156 Å²	156	112.6 Å²	112.6	59%	0.591	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-57.7	122.9	173.6	175.1	90.7	0	0	0	108.4	E515 M519 L522	E515-W517 PolarHBondContact O-N 3.38Å; E515-W517 VanDerWaalsContact O-N 3.14Å; W517-M519 HydrophobicContact CH2-CB 4.48Å; W517-M519 HydrophobicContact CH2-CE 3.8Å; W517-M519 HydrophobicContact CH2-CG 3.79Å; W517-M519 HydrophobicContact CH2-SD 4.13Å; W517-M519 HydrophobicContact CZ2-CE 4.09Å; W517-M519 HydrophobicContact CZ3-CG 4.1Å; W517-L522 HydrophobicContact CH2-CD1 4.12Å; W517-L522 HydrophobicContact CZ2-CB 3.85Å; W517-L522 HydrophobicContact CZ2-CD1 3.43Å; W517-L522 VanDerWaalsContact CZ2-CD1 3.43Å; W517-L522 HydrophobicContact CZ2-CG 4.21Å
518	T	77.7	Confident	72.6	Confident	69 Å²	69	113.3 Å²	113.3	42%	0.423	58%	0.583	S	S	.	*			trans	-106.7	147.6	175.6	64.2	0	0	0	0	109.7	P516 N520 N521	P516-T518 PolarHBondContact O-N 3.34Å; P516-T518 VanDerWaalsContact O-N 3.11Å; T518-N520 PolarHBondContact O-N 3.26Å; T518-N520 VanDerWaalsContact O-N 3.09Å; T518-N521 PolarHBondContact O-N 3.4Å; T518-N521 VanDerWaalsContact O-N 3.08Å
519	M	72.4	Confident	71.5	Confident	100 Å²	100	111.7 Å²	111.7	49%	0.493	57%	0.573	S	S	.	*	H	α-helix	trans	-55.9	-27.8	178	-99.6	-90.6	49.8	0	0	113	W517 N521 L522 N523	W517-M519 HydrophobicContact CH2-CB 4.48Å; W517-M519 HydrophobicContact CH2-CE 3.8Å; W517-M519 HydrophobicContact CH2-CG 3.79Å; W517-M519 HydrophobicContact CH2-SD 4.13Å; W517-M519 HydrophobicContact CZ2-CE 4.09Å; W517-M519 HydrophobicContact CZ3-CG 4.1Å; M519-N521 PolarHBondContact O-N 3.34Å; M519-L522 HydrophobicContact CE-CB 3.24Å; M519-L522 HydrophobicContact CE-CD1 4.05Å; M519-L522 HydrophobicContact CE-CD2 3.98Å; M519-L522 HydrophobicContact CE-CG 3.94Å; M519-L522 WeakPolarHBondContact O-CB 3.43Å; M519-L522 PolarHBondContact O-N 2.77Å; M519-N523 PolarHBondContact O-N 2.77Å
520	N	68.7	Low	70.6	Confident	113 Å²	113	109.1 Å²	109.1	60%	0.604	57%	0.571	S	S	*	*	H	α-helix	trans	-59.5	-33.2	178.8	-69	-10.2	0	0	0	112.6	T518 L522 N523 E524	T518-N520 PolarHBondContact O-N 3.26Å; T518-N520 VanDerWaalsContact O-N 3.09Å; N520-L522 VanDerWaalsContact C-N 3.27Å; N520-L522 PolarHBondContact O-N 2.9Å; N520-N523 WeakPolarHBondContact O-CB 3.45Å; N520-N523 PolarHBondContact O-N 3.23Å; N520-E524 PolarHBondContact O-N 3.04Å; N520-E524 VanDerWaalsContact O-N 3.13Å
521	N	64.6	Low	69.8	Low	73 Å²	73	110.9 Å²	110.9	39%	0.39	57%	0.574	S	S	.	*	H	α-helix	trans	-67.6	-27.9	177.8	-66.5	-0.8	0	0	0	112.3	T518 M519 E525	T518-N521 PolarHBondContact O-N 3.4Å; T518-N521 VanDerWaalsContact O-N 3.08Å; M519-N521 PolarHBondContact O-N 3.34Å; N521-E525 PolarHBondContact O-N 3.16Å; N521-E525 VanDerWaalsContact O-N 3.1Å
522	L	62.3	Low	68.5	Low	58 Å²	58	111.5 Å²	111.5	30%	0.304	57%	0.571	S	S	.	*	H	α-helix	trans	-78	-30.5	175.6	-148.3	142.2	0	0	0	111.3	W517 M519 N520 E524 E525 L526	W517-L522 HydrophobicContact CH2-CD1 4.12Å; W517-L522 HydrophobicContact CZ2-CB 3.85Å; W517-L522 HydrophobicContact CZ2-CD1 3.43Å; W517-L522 VanDerWaalsContact CZ2-CD1 3.43Å; W517-L522 HydrophobicContact CZ2-CG 4.21Å; M519-L522 HydrophobicContact CE-CB 3.24Å; M519-L522 HydrophobicContact CE-CD1 4.05Å; M519-L522 HydrophobicContact CE-CD2 3.98Å; M519-L522 HydrophobicContact CE-CG 3.94Å; M519-L522 WeakPolarHBondContact O-CB 3.43Å; M519-L522 PolarHBondContact O-N 2.77Å; N520-L522 VanDerWaalsContact C-N 3.27Å; N520-L522 PolarHBondContact O-N 2.9Å; L522-E524 VanDerWaalsContact C-N 3.33Å; L522-E525 PolarHBondContact O-N 2.83Å; L522-L526 HydrophobicContact CD2-CD1 3.46Å; L522-L526 VanDerWaalsContact CD2-CD1 3.46Å; L522-L526 HydrophobicContact CD2-CG 3.77Å; L522-L526 VanDerWaalsContact O-CB 3.3Å; L522-L526 WeakPolarHBondContact O-CB 3.29Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.47Å; L522-L526 PolarHBondContact O-N 2.84Å
523	N	62	Low	66.9	Low	87 Å²	87	110.1 Å²	110.1	47%	0.465	57%	0.57	S	S	.	*	H	α-helix	trans	-65.8	-38.2	171.7	-74.2	-21.8	0	0	0	110.9	M519 N520 T527	M519-N523 PolarHBondContact O-N 2.77Å; N520-N523 WeakPolarHBondContact O-CB 3.45Å; N520-N523 PolarHBondContact O-N 3.23Å; N523-T527 WeakPolarHBondContact O-CB 3.23Å; N523-T527 WeakPolarHBondContact O-CG2 3.5Å; N523-T527 PolarHBondContact O-N 3.33Å; N523-T527 PolarHBondContact O-OG1 3.5Å
524	E	61.6	Low	65.1	Low	131 Å²	131	111 Å²	111	61%	0.612	57%	0.57	S	S	*	*	H	α-helix	trans	-64.2	-44.4	171.6	-71.9	-173	168.7	0	0	111.8	N520 L522 T527 T528	N520-E524 PolarHBondContact O-N 3.04Å; N520-E524 VanDerWaalsContact O-N 3.13Å; L522-E524 VanDerWaalsContact C-N 3.33Å; E524-T527 WeakPolarHBondContact CA-OG1 3.44Å; E524-T527 PolarHBondContact O-N 2.86Å; E524-T527 PolarHBondContact O-OG1 2.74Å; E524-T528 PolarHBondContact O-N 2.72Å; E524-T528 PolarHBondContact O-OG1 2.82Å
525	E	60.6	Low	63.2	Low	73 Å²	73	109.2 Å²	109.2	34%	0.341	58%	0.575	S	S	.	*	H	α-helix	trans	-64.9	-41.4	175.7	-75.1	-174.5	131.7	0	0	112.7	N521 L522 T528 I529 R563	N521-E525 PolarHBondContact O-N 3.16Å; N521-E525 VanDerWaalsContact O-N 3.1Å; L522-E525 PolarHBondContact O-N 2.83Å; E525-T528 PolarHBondContact O-N 2.88Å; E525-I529 WeakPolarHBondContact O-CG1 3.45Å; E525-I529 PolarHBondContact O-N 2.78Å; E525-R563 IonicContact OE1-CZ 3.15Å; E525-R563 IonicContact OE1-NE 3.85Å; E525-R563 PolarHBondContact OE1-NE 2.94Å; E525-R563 VanDerWaalsContact OE1-NE 3.15Å; E525-R563 IonicContact OE1-NH2 3.39Å; E525-R563 PolarHBondContact OE1-NH2 2.84Å; E525-R563 IonicContact OE2-CZ 3.49Å; E525-R563 IonicContact OE2-NH2 3.77Å; E525-R563 PolarHBondContact OE2-NH2 2.77Å
526	L	63.5	Low	61.1	Low	94 Å²	94	108.3 Å²	108.3	49%	0.492	58%	0.575	S	S	.	*	H	α-helix	trans	-66.2	-39.4	176.6	-75.8	171.1	0	0	0	112.3	L522 T528 I529 S530	L522-L526 HydrophobicContact CD2-CD1 3.46Å; L522-L526 VanDerWaalsContact CD2-CD1 3.46Å; L522-L526 HydrophobicContact CD2-CG 3.77Å; L522-L526 VanDerWaalsContact O-CB 3.3Å; L522-L526 WeakPolarHBondContact O-CB 3.29Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.47Å; L522-L526 PolarHBondContact O-N 2.84Å; L526-T528 PolarHBondContact O-N 3.02Å; L526-I529 PolarHBondContact O-N 2.69Å; L526-S530 PolarHBondContact O-N 3.2Å; L526-S530 PolarHBondContact O-OG 3.12Å
527	T	60.9	Low	59	Low	72 Å²	72	111.5 Å²	111.5	44%	0.442	58%	0.58	S	S	.	*	H	α-helix	trans	-70.7	-22.1	175.3	53.5	0	0	0	0	112.7	N523 E524 S530 K531	N523-T527 WeakPolarHBondContact O-CB 3.23Å; N523-T527 WeakPolarHBondContact O-CG2 3.5Å; N523-T527 PolarHBondContact O-N 3.33Å; N523-T527 PolarHBondContact O-OG1 3.5Å; E524-T527 WeakPolarHBondContact CA-OG1 3.44Å; E524-T527 PolarHBondContact O-N 2.86Å; E524-T527 PolarHBondContact O-OG1 2.74Å; T527-S530 WeakPolarHBondContact CA-OG 3.41Å; T527-S530 PolarHBondContact O-OG 3.49Å; T527-S530 VanDerWaalsContact O-OG 3.14Å; T527-K531 WeakPolarHBondContact O-CG 3.35Å
528	T	59.8	Low	56.9	Low	96 Å²	96	110.7 Å²	110.7	59%	0.589	59%	0.587	S	S	*	*	H	α-helix	trans	-77.7	-37.6	172.8	-45.2	0	0	0	0	111	E524 E525 L526 K531	E524-T528 PolarHBondContact O-N 2.72Å; E524-T528 PolarHBondContact O-OG1 2.82Å; E525-T528 PolarHBondContact O-N 2.88Å; L526-T528 PolarHBondContact O-N 3.02Å; T528-K531 PolarHBondContact O-N 3.33Å
529	I	58.6	Low	54.9	Low	99 Å²	99	115.5 Å²	115.5	51%	0.508	61%	0.61	S	S	.	*	H	α-helix	trans	-69.1	-34.5	175.7	-65.7	164.1	0	0	0	111.4	E525 L526 K531 I532	E525-I529 WeakPolarHBondContact O-CG1 3.45Å; E525-I529 PolarHBondContact O-N 2.78Å; L526-I529 PolarHBondContact O-N 2.69Å; I529-K531 PolarHBondContact O-N 2.74Å; I529-I532 WeakPolarHBondContact O-CG1 3.46Å; I529-I532 PolarHBondContact O-N 2.73Å
530	S	57.2	Low	53.2	Low	92 Å²	92	118.5 Å²	118.5	64%	0.643	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-9	177.8	66.9	0	0	0	0	114.8	L526 T527	L526-S530 PolarHBondContact O-N 3.2Å; L526-S530 PolarHBondContact O-OG 3.12Å; T527-S530 WeakPolarHBondContact CA-OG 3.41Å; T527-S530 PolarHBondContact O-OG 3.49Å; T527-S530 VanDerWaalsContact O-OG 3.14Å
531	K	57.3	Low	51.7	Low	168 Å²	168	121.5 Å²	121.5	73%	0.73	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	2.3	175.3	-73.9	177	-177.2	177	0	113.8	T527 T528 I529 P533	T527-K531 WeakPolarHBondContact O-CG 3.35Å; T528-K531 PolarHBondContact O-N 3.33Å; I529-K531 PolarHBondContact O-N 2.74Å; K531-P533 WeakPolarHBondContact O-CD 3.39Å
532	I	53.1	Low	50.3	Low	118 Å²	118	124.6 Å²	124.6	61%	0.605	66%	0.655	S	S	*	*	S	Bend	trans	-73.8	115.7	170.1	-58.2	173.4	0	0	0	107.2	I529 N534	I529-I532 WeakPolarHBondContact O-CG1 3.46Å; I529-I532 PolarHBondContact O-N 2.73Å; I532-N534 PolarHBondContact O-N 3.23Å
533	P	49.4	Very low	48.9	Very low	99 Å²	99	126.8 Å²	126.8	64%	0.643	68%	0.675	S	S	*	*			trans	-67.1	124.3	-178.1	-11.2	25.5	0	0	0	109.7	K531 N535	K531-P533 WeakPolarHBondContact O-CD 3.39Å; P533-N535 PolarHBondContact O-N 3.04Å
534	N	47.2	Very low	47.7	Very low	155 Å²	155	130.4 Å²	130.4	83%	0.829	69%	0.69	S	S	*	*			trans	-67.4	82	165.3	-77.2	-20.2	0	0	0	109.2	I532 L536	I532-N534 PolarHBondContact O-N 3.23Å; N534-L536 PolarHBondContact O-N 3.21Å
535	N	43.2	Very low	46.4	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	70%	0.696	S	S	*	*			trans	-78.7	72.7	164.5	-83.1	-9.6	0	0	0	108.9	P533	P533-N535 PolarHBondContact O-N 3.04Å
536	L	40.8	Very low	44.9	Very low	154 Å²	154	134.4 Å²	134.4	81%	0.806	72%	0.717	S	S	*	*			trans	-145.7	74.3	171.2	-97.1	156.2	0	0	0	107.3	N534	N534-L536 PolarHBondContact O-N 3.21Å
537	E	38.6	Very low	43.3	Very low	178 Å²	178	139.9 Å²	139.9	83%	0.832	74%	0.737	S	S	*	*			trans	-166.2	134.8	156.2	-109.5	167.4	-149.8	0	0	110.5
538	N	36.5	Very low	41.7	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	76%	0.757	S	S	*	*			trans	79.7	88.4	166.9	-54.9	-32.7	0	0	0	117.9
539	N	35.7	Very low	40.2	Very low	169 Å²	169	144.9 Å²	144.9	90%	0.904	77%	0.771	S	S	*	*				-157.6	91.9	126.2	-93.4	-23.5	0	0	0	110.6
540	N	34.9	Very low	38.6	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	78%	0.783	S	S	*	*			trans	-77.9	118.2	156.3	-88.1	-30.2	0	0	0	107.8
541	Q	38.2	Very low	37.3	Very low	176 Å²	176	145.9 Å²	145.9	82%	0.822	79%	0.786	S	S	*	*			trans	166.4	136.4	132.9	-91.3	175.3	6.1	0	0	111
542	N	35.2	Very low	36	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	79%	0.79	S	S	*	*			trans	89.6	84.9	160.3	-54.4	-16.5	0	0	0	118.4
543	S	33.6	Very low	35	Very low	103 Å²	103	148.8 Å²	148.8	72%	0.72	81%	0.805	S	S	*	*				21.5	132.7	119.9	62.8	0	0	0	0	120.6
544	E	35.7	Very low	34.3	Very low	164 Å²	164	150.8 Å²	150.8	77%	0.766	81%	0.81	S	S	*	*			trans	113.1	108.7	146.6	-70.2	-176.5	173.9	0	0	119.4
545	Q	35.3	Very low	33.8	Very low	161 Å²	161	151.3 Å²	151.3	75%	0.752	81%	0.812	S	S	*	*			trans	77.8	97.4	136.4	-62.4	-178.8	18	0	0	120.5
546	T	28	Very low	33	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	81%	0.811	S	S	*	*				18.6	117.5	128.6	52.1	0	0	0	0	119.6
547	K	31	Very low	32.6	Very low	210 Å²	210	150.7 Å²	150.7	91%	0.913	81%	0.811	S	S	*	*				-175.5	138.5	114.8	-105.5	172.9	178.7	176.7	0	112.5
548	V	26.7	Very low	32.1	Very low	143 Å²	143	150.5 Å²	150.5	87%	0.867	81%	0.813	S	S	*	*			trans	-74	135.3	178.3	172.1	0	0	0	0	111.1
549	C	27.7	Very low	31.7	Very low	129 Å²	129	148.7 Å²	148.7	87%	0.872	81%	0.811	S	S	*	*			trans	-163	140.6	144.7	-115.1	0	0	0	0	111.5
550	S	26.3	Very low	31.4	Very low	109 Å²	109	146.3 Å²	146.3	76%	0.762	80%	0.803	S	S	*	*			trans	-74.3	147.9	-176.2	50	0	0	0	0	115.8
551	S	28.9	Very low	31.1	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	80%	0.802	S	S	*	*			trans	173.5	131.9	132.7	55.7	0	0	0	0	114.5
552	N	29.7	Very low	30.9	Very low	152 Å²	152	145.2 Å²	145.2	81%	0.813	80%	0.801	S	S	*	*			trans	64.5	112.6	142.6	-59.6	-11.7	0	0	0	122.3
553	E	31.8	Very low	30.8	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	80%	0.795	S	S	*	*			trans	-113.3	119.3	150.5	-69	-179.2	159.2	0	0	106.6
554	N	36.1	Very low	30.9	Very low	141 Å²	141	148.2 Å²	148.2	75%	0.754	80%	0.802	S	S	*	*				67.4	102.6	52.2	-81.9	-9.7	0	0	0	116.5
555	L	35	Very low	31.2	Very low	165 Å²	165	147.8 Å²	147.8	86%	0.864	80%	0.803	S	S	*	*				80.6	135.6	121	-134.2	77.6	0	0	0	121.1
556	M	26.8	Very low	31.3	Very low	164 Å²	164	152 Å²	152	81%	0.808	81%	0.812	S	S	*	*			trans	-51.1	149.8	174.4	-55.5	-166.8	177.2	0	0	115.1
557	T	33.9	Very low	31.7	Very low	133 Å²	133	149.3 Å²	149.3	82%	0.816	81%	0.81	S	S	*	*				170.4	133.8	106.5	32.9	0	0	0	0	112.6
558	M	26.8	Very low	32.2	Very low	175 Å²	175	147.5 Å²	147.5	86%	0.862	81%	0.811	S	S	*	*			trans	35.4	129.2	146.9	-63.6	-64	171.4	0	0	122.7
559	S	28.4	Very low	33.1	Very low	102 Å²	102	151.9 Å²	151.9	71%	0.713	81%	0.811	S	S	*	*			trans	96.4	132.1	136.3	79.2	0	0	0	0	120.1
560	T	29.5	Very low	34.4	Very low	118 Å²	118	151.9 Å²	151.9	72%	0.724	80%	0.803	S	S	*	*			trans	83.5	114.7	158.8	66.5	0	0	0	0	119.3
561	N	29.5	Very low	35.9	Very low	162 Å²	162	154.3 Å²	154.3	87%	0.866	81%	0.806	S	S	*	*			trans	31.2	96.4	143.5	-64.5	-20.3	0	0	0	118.4
562	I	33.7	Very low	37.4	Very low	155 Å²	155	157.9 Å²	157.9	80%	0.795	81%	0.811	S	S	*	*			trans	-137.7	126.6	160	-59.3	-178.9	0	0	0	110.2	T564	I562-T564 PolarHBondContact O-N 2.87Å
563	R	33.2	Very low	38.5	Very low	162 Å²	162	154.8 Å²	154.8	61%	0.611	81%	0.807	S	S	*	*			trans	-42.6	125.9	168.6	-74.8	167.8	168.2	-166.7	-9	111.6	E525 I565	E525-R563 IonicContact OE1-CZ 3.15Å; E525-R563 IonicContact OE1-NE 3.85Å; E525-R563 PolarHBondContact OE1-NE 2.94Å; E525-R563 VanDerWaalsContact OE1-NE 3.15Å; E525-R563 IonicContact OE1-NH2 3.39Å; E525-R563 PolarHBondContact OE1-NH2 2.84Å; E525-R563 IonicContact OE2-CZ 3.49Å; E525-R563 IonicContact OE2-NH2 3.77Å; E525-R563 PolarHBondContact OE2-NH2 2.77Å; R563-I565 PolarHBondContact O-N 3.31Å
564	T	34.9	Very low	39.2	Very low	143 Å²	143	150.2 Å²	150.2	88%	0.877	80%	0.796	S	S	*	*			trans	-73.8	95.6	170.2	46.3	0	0	0	0	110.5	I562	I562-T564 PolarHBondContact O-N 2.87Å
565	I	43	Very low	39.7	Very low	154 Å²	154	146.9 Å²	146.9	79%	0.79	80%	0.795	S	S	*	*			trans	-67.1	143.1	154.8	-67.9	170	0	0	0	108	R563 G567	R563-I565 PolarHBondContact O-N 3.31Å; I565-G567 PolarHBondContact O-N 3.1Å
566	R	35.7	Very low	40.5	Very low	249 Å²	249	148.5 Å²	148.5	94%	0.94	80%	0.796	S	S	*	*			trans	-33.5	117.5	179.6	-66.7	174.8	173.5	174.3	-3	114
567	G	37.7	Very low	41.6	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	79%	0.789	S	S	*	*			trans	-91.6	113.1	164.4	0	0	0	0	0	110.5	I565 R569	I565-G567 PolarHBondContact O-N 3.1Å; G567-R569 PolarHBondContact O-N 3.04Å
568	N	41.4	Very low	42.3	Very low	172 Å²	172	147.6 Å²	147.6	92%	0.92	80%	0.796	S	S	*	*			trans	-56.3	118.8	156.9	-97.6	4.7	0	0	0	107.9
569	R	45.9	Very low	43.5	Very low	234 Å²	234	143.7 Å²	143.7	88%	0.883	79%	0.785	S	S	*	*			trans	-87.2	114.7	163.8	-90.2	-178.9	168.9	156	-3.3	107.9	G567 L571	G567-R569 PolarHBondContact O-N 3.04Å; R569-L571 PolarHBondContact O-N 3.25Å
570	D	54.7	Low	44.1	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	79%	0.788	S	S	*	*			trans	-67.4	118.3	163.5	-167.8	-10	0	0	0	108.5	H572	D570-H572 VanDerWaalsContact C-N 3.3Å; D570-H572 PolarHBondContact OD1-N 2.78Å
571	L	58.1	Low	45.2	Very low	159 Å²	159	141 Å²	141	83%	0.832	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-2.3	-173.7	-87.9	156.1	0	0	0	113	R569	R569-L571 PolarHBondContact O-N 3.25Å
572	H	59.7	Low	46.1	Very low	179 Å²	179	140.6 Å²	140.6	83%	0.829	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	5.5	-173.8	-82.7	-81	0	0	0	116.3	D570	D570-H572 VanDerWaalsContact C-N 3.3Å; D570-H572 PolarHBondContact OD1-N 2.78Å
573	A	51.8	Low	47.3	Very low	86 Å²	86	139.4 Å²	139.4	71%	0.711	78%	0.782	S	S	*	*			trans	-98.6	12.2	-175.4	0	0	0	0	0	116.5	G575	A573-G575 PolarHBondContact O-N 3.01Å
574	S	47.9	Very low	48.6	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	78%	0.779	S	S	*	*			trans	-83	74.9	178.9	-179	0	0	0	0	112.6	F576	S574-F576 PolarHBondContact O-N 3.02Å
575	G	46.8	Very low	49.9	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	77%	0.766	S	S	*	*			trans	-79.1	108.9	165.3	0	0	0	0	0	111.4	A573 S577	A573-G575 PolarHBondContact O-N 3.01Å; G575-S577 PolarHBondContact O-N 3.34Å
576	F	51.9	Low	51	Low	199 Å²	199	135.7 Å²	135.7	87%	0.873	77%	0.77	S	S	*	*			trans	-70	111	164.5	-93.1	-96.8	0	0	0	109	S574	S574-F576 PolarHBondContact O-N 3.02Å
577	S	49.3	Very low	52.1	Low	95 Å²	95	132.7 Å²	132.7	66%	0.664	76%	0.759	S	S	*	*			trans	-104.3	111.9	167	-171.6	0	0	0	0	109.4	G575 S579	G575-S577 PolarHBondContact O-N 3.34Å; S577-S579 VanDerWaalsContact C-N 3.25Å; S577-S579 PolarHBondContact O-N 3.17Å; S577-S579 PolarHBondContact OG-OG 3.03Å; S577-S579 VanDerWaalsContact OG-OG 3.09Å
578	L	49.4	Very low	52.8	Low	184 Å²	184	135.4 Å²	135.4	96%	0.963	76%	0.764	S	S	*	*			trans	-75.4	76.1	168.3	-91.2	151.1	0	0	0	109.4
579	S	50.2	Low	53.2	Low	92 Å²	92	135.1 Å²	135.1	64%	0.643	76%	0.76	S	S	*	*			trans	-160.2	61.7	171.8	62.5	0	0	0	0	110.1	S577	S577-S579 VanDerWaalsContact C-N 3.25Å; S577-S579 PolarHBondContact O-N 3.17Å; S577-S579 PolarHBondContact OG-OG 3.03Å; S577-S579 VanDerWaalsContact OG-OG 3.09Å
580	G	41.4	Very low	53.2	Low	75 Å²	75	135.1 Å²	135.1	77%	0.773	76%	0.76	S	S	*	*			trans	-83	116.4	165.5	0	0	0	0	0	108.5	Q582	G580-Q582 PolarHBondContact O-N 2.81Å
581	A	53	Low	53.1	Low	89 Å²	89	134.4 Å²	134.4	74%	0.736	77%	0.765	S	S	*	*			trans	-51.7	133.5	171.2	0	0	0	0	0	109.9	V583	A581-V583 HydrophobicContact CB-CG2 4.25Å; A581-V583 WeakPolarHBondContact O-CG2 3.48Å; A581-V583 PolarHBondContact O-N 3.31Å
582	Q	48.2	Very low	52.4	Low	153 Å²	153	132.9 Å²	132.9	72%	0.715	76%	0.763	S	S	*	*			trans	-71.3	108.7	174.1	-173.1	169.8	-27.1	0	0	107.5	G580 D585	G580-Q582 PolarHBondContact O-N 2.81Å; Q582-D585 VanDerWaalsContact NE2-CG 3.28Å; Q582-D585 PolarHBondContact NE2-OD1 2.87Å; Q582-D585 PolarHBondContact NE2-OD2 3.17Å
583	V	58.7	Low	51.7	Low	131 Å²	131	132 Å²	132	79%	0.794	76%	0.762	S	S	*	*			trans	-116.7	33.2	-176.7	-167	0	0	0	0	111.2	A581	A581-V583 HydrophobicContact CB-CG2 4.25Å; A581-V583 WeakPolarHBondContact O-CG2 3.48Å; A581-V583 PolarHBondContact O-N 3.31Å
584	D	61.4	Low	50.9	Low	106 Å²	106	139 Å²	139	57%	0.567	77%	0.771	S	S	*	*			trans	-142.7	32.9	-179	-130.7	-3.4	0	0	0	114.1	R587	D584-R587 IonicContact OD1-CZ 2.61Å; D584-R587 IonicContact OD1-NE 3.8Å; D584-R587 PolarHBondContact OD1-NE 3.09Å
585	D	62.7	Low	50.4	Low	113 Å²	113	140.3 Å²	140.3	60%	0.604	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-2.7	-178.8	-73.1	-17.8	0	0	0	115	Q582	Q582-D585 VanDerWaalsContact NE2-CG 3.28Å; Q582-D585 PolarHBondContact NE2-OD1 2.87Å; Q582-D585 PolarHBondContact NE2-OD2 3.17Å
586	D	65.3	Low	50	Low	161 Å²	161	145.9 Å²	145.9	86%	0.861	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	12.5	-175.4	-67	-32.7	0	0	0	114.6
587	R	58.4	Low	49.3	Very low	186 Å²	186	145.5 Å²	145.5	70%	0.702	78%	0.782	S	S	*	*	S	Bend	trans	-104.9	124.8	-179.8	-68.9	-176.1	178.8	-177.2	2.7	112.1	D584 I589	D584-R587 IonicContact OD1-CZ 2.61Å; D584-R587 IonicContact OD1-NE 3.8Å; D584-R587 PolarHBondContact OD1-NE 3.09Å; R587-I589 PolarHBondContact O-N 2.89Å
588	P	52.3	Low	48.6	Very low	129 Å²	129	150.1 Å²	150.1	84%	0.838	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.9	125.5	179.4	24	-31.5	0	0	0	111.3	R590	P588-R590 PolarHBondContact O-N 3.38Å
589	I	50.9	Low	47.7	Very low	166 Å²	166	146.7 Å²	146.7	85%	0.851	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.2	123.1	179.2	-62.8	164.6	0	0	0	109.7	R587 S591	R587-I589 PolarHBondContact O-N 2.89Å; I589-S591 PolarHBondContact O-N 3.29Å
590	R	45.2	Very low	47.1	Very low	234 Å²	234	151.6 Å²	151.6	88%	0.883	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-63	128.8	168.2	-101.1	-173.6	-176.2	-148	1.8	109.5	P588 T592	P588-R590 PolarHBondContact O-N 3.38Å; R590-T592 PolarHBondContact O-N 3.05Å
591	S	51.7	Low	46.7	Very low	114 Å²	114	154.6 Å²	154.6	80%	0.797	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-58.3	116.1	173.5	55	0	0	0	0	111.4	I589 I593	I589-S591 PolarHBondContact O-N 3.29Å; S591-I593 PolarHBondContact O-N 2.81Å
592	T	43.5	Very low	45.9	Very low	128 Å²	128	162 Å²	162	79%	0.785	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.7	121.5	167.9	47.8	0	0	0	0	109.9	R590 R594	R590-T592 PolarHBondContact O-N 3.05Å; T592-R594 PolarHBondContact O-N 2.93Å
593	I	45.5	Very low	45.3	Very low	159 Å²	159	162.1 Å²	162.1	82%	0.815	82%	0.816	S	S	*	*			trans	-62.8	114.4	166.8	-75.4	165.2	0	0	0	108	S591	S591-I593 PolarHBondContact O-N 2.81Å
594	R	34.7	Very low	44.1	Very low	235 Å²	235	162 Å²	162	89%	0.887	82%	0.817	S	S	*	*			trans	-82.3	108.5	164.3	-96.9	-179.2	171.1	172.4	-2.4	108.1	T592 Q596	T592-R594 PolarHBondContact O-N 2.93Å; R594-Q596 PolarHBondContact O-N 2.87Å
595	T	38.7	Very low	42.7	Very low	127 Å²	127	164.1 Å²	164.1	78%	0.779	83%	0.828	S	S	*	*			trans	-80.4	107.6	158.9	4.2	0	0	0	0	107.9	Q597	T595-Q597 PolarHBondContact O-N 3.06Å
596	Q	37	Very low	41.2	Very low	187 Å²	187	174.5 Å²	174.5	87%	0.874	86%	0.859	S	S	*	*			trans	-70.7	113	162.6	-77.7	177.8	-21.4	0	0	107.8	R594	R594-Q596 PolarHBondContact O-N 2.87Å
597	Q	37.2	Very low	40	Very low	191 Å²	191	175.2 Å²	175.2	89%	0.893	86%	0.859	S	S	*	*			trans	-96.5	129.7	157.9	-89.9	-175.2	-27.2	0	0	108.7	T595	T595-Q597 PolarHBondContact O-N 3.06Å
598	Q	35.3	Very low	39.1	Very low	192 Å²	192	174.6 Å²	174.6	90%	0.897	87%	0.867	S	S	*	*			trans	-63.8	145	179.2	-74.3	170.4	-33.1	0	0	110.9	E600	Q598-E600 PolarHBondContact O-N 3.02Å
599	S	30.8	Very low	38.3	Very low	113 Å²	113	177.1 Å²	177.1	79%	0.79	87%	0.868	S	S	*	*			trans	-58.9	113.1	175.8	50	0	0	0	0	112.7
600	E	36.3	Very low	37.6	Very low	194 Å²	194	177.8 Å²	177.8	91%	0.907	87%	0.87	S	S	*	*			trans	-133.7	120.7	146.1	-79.5	-169.8	167.4	0	0	108.9	Q598 R602	Q598-E600 PolarHBondContact O-N 3.02Å; E600-R602 PolarHBondContact O-N 3.43Å
601	T	33.9	Very low	37.1	Very low	138 Å²	138	174.3 Å²	174.3	85%	0.847	87%	0.869	S	S	*	*			trans	-68.9	115.2	-177.6	46.7	0	0	0	0	111.4
602	R	35.2	Very low	36.1	Very low	245 Å²	245	178.3 Å²	178.3	93%	0.925	87%	0.873	S	S	*	*			trans	-144	123.5	148.2	-77.3	-164	169.1	174.4	-4.5	110.1	E600	E600-R602 PolarHBondContact O-N 3.43Å
603	N	35.7	Very low	35.6	Very low	156 Å²	156	181.9 Å²	181.9	83%	0.834	88%	0.88	S	S	*	*			trans	-44.3	140.5	176.2	-87.7	-20.8	0	0	0	113.2
604	P	34.3	Very low	34.8	Very low	127 Å²	127	183.6 Å²	183.6	83%	0.825	89%	0.885	S	S	*	*			trans	-97.8	96.5	157.8	34	-20.8	0	0	0	108.4
605	L	32.5	Very low	34.9	Very low	151 Å²	151	179.3 Å²	179.3	79%	0.791	88%	0.884	S	S	*	*			trans	-161.6	81.8	165.1	-102.6	169.7	0	0	0	105.8
606	W	31.4	Very low	34.5	Very low	331 Å²	331	184.1 Å²	184.1	100%	1.254	89%	0.894	S	S	*	*			trans	-164	0	152.7	-89.4	101.4	0	0	0	107.1

Retrieved 606 of 606 residues in 167 ms (Link to these results)

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