A0A096N786_PAPAN Loading...

Zinc finger with KRAB and SCAN domains 7

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096N786, Species PAPAN (Papio anubis, Olive baboon), Gene ZKSCAN7, Length 747 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	30	Very low	231 Å²	231	142.4 Å²	142.4	100%	1.138	84%	0.842	S	S	*	*				0	103	0	-63.2	159.5	-178.2	0	0	105.7
2	T	31.7	Very low	29.6	Very low	126 Å²	126	144 Å²	144	77%	0.773	84%	0.841	S	S	*	*				61.7	122.6	73.2	64.5	0	0	0	0	110.8
3	T	32.4	Very low	30.2	Very low	124 Å²	124	141.2 Å²	141.2	76%	0.761	83%	0.83	S	S	*	*			cis	-157.1	157.2	44.1	37.2	0	0	0	0	115.6
4	S	31.4	Very low	29.9	Very low	123 Å²	123	147.3 Å²	147.3	86%	0.86	83%	0.832	S	S	*	*			trans	49.6	154.2	140.6	-52.1	0	0	0	0	124
5	G	32.3	Very low	29.6	Very low	66 Å²	66	143.5 Å²	143.5	68%	0.68	82%	0.819	S	S	*	*			cis	142.8	122.1	-15.4	0	0	0	0	0	117.3
6	R	35.3	Very low	29.3	Very low	265 Å²	265	142.7 Å²	142.7	100%	1	82%	0.818	S	S	*	*			trans	73.5	150.3	171.3	-52.9	-179.1	176.1	-147.9	-1.1	117.8
7	G	28.7	Very low	29.1	Very low	74 Å²	74	139.9 Å²	139.9	76%	0.763	82%	0.816	S	S	*	*			cis	164.3	131.5	-18.3	0	0	0	0	0	119.2
8	N	28.1	Very low	28.8	Very low	155 Å²	155	144.2 Å²	144.2	83%	0.829	82%	0.824	S	S	*	*			trans	77.6	156.6	141.3	-148.1	17.2	0	0	0	124.3
9	L	27.8	Very low	28.7	Very low	160 Å²	160	146.4 Å²	146.4	84%	0.838	83%	0.826	S	S	*	*			trans	78.5	127.8	173	-54	174.4	0	0	0	117.8
10	G	26.2	Very low	28.7	Very low	70 Å²	70	147.3 Å²	147.3	72%	0.722	82%	0.82	S	S	*	*			cis	176.2	162.4	-11.2	0	0	0	0	0	115.8
11	L	26.1	Very low	28.5	Very low	172 Å²	172	149.5 Å²	149.5	90%	0.901	82%	0.824	S	S	*	*			trans	78.8	93.1	161.6	-57.3	176.7	0	0	0	122.5
12	I	25.4	Very low	28.6	Very low	162 Å²	162	146.1 Å²	146.1	83%	0.831	81%	0.806	S	S	*	*			trans	-34.9	168.5	144.2	29.7	169.5	0	0	0	117.2
13	P	37	Very low	28.3	Very low	108 Å²	108	144 Å²	144	70%	0.701	81%	0.809	S	S	*	*			cis	-135	-172.4	26.7	44.7	-25.6	0	0	0	115.5
14	R	25.9	Very low	28	Very low	226 Å²	226	149.1 Å²	149.1	85%	0.853	81%	0.814	S	S	*	*			cis	-156.4	151.2	23.8	-147.3	165.5	-163.1	162.9	3.4	113.5
15	S	25	Very low	27.6	Very low	90 Å²	90	150.9 Å²	150.9	63%	0.629	81%	0.813	S	S	*	*			trans	-16.1	128.8	170.6	51.9	0	0	0	0	118.9
16	T	25.3	Very low	27.4	Very low	131 Å²	131	153.4 Å²	153.4	80%	0.804	82%	0.816	S	S	*	*				74.8	108.2	52.1	69.4	0	0	0	0	117.1
17	A	25.6	Very low	26.9	Very low	95 Å²	95	147.4 Å²	147.4	79%	0.785	81%	0.808	S	S	*	*			trans	38.3	139.8	137.7	0	0	0	0	0	122.3
18	F	23.9	Very low	26.6	Very low	218 Å²	218	153.5 Å²	153.5	96%	0.956	81%	0.814	S	S	*	*			trans	-129.9	145.2	146.8	-109.7	-86	0	0	0	111.3
19	Q	27.2	Very low	26.7	Very low	186 Å²	186	155.1 Å²	155.1	87%	0.869	82%	0.816	S	S	*	*			trans	-116.1	154.1	-171.4	-164.2	171.2	11.7	0	0	111
20	K	27.6	Very low	26.5	Very low	164 Å²	164	156.1 Å²	156.1	71%	0.713	82%	0.816	S	S	*	*			trans	-59.5	132.7	-175.2	-171.4	-164	-171.1	-154.5	0	112.9	E22	K20-E22 WeakPolarHBondContact CE-OE1 3.43Å; K20-E22 IonicContact NZ-OE1 3.88Å; K20-E22 PolarHBondContact NZ-OE1 3.06Å
21	Q	25.6	Very low	27.1	Very low	194 Å²	194	157.9 Å²	157.9	91%	0.907	82%	0.815	S	S	*	*			trans	-138.7	157.7	154.9	-109	-176.8	-4.5	0	0	110.5
22	E	32.8	Very low	27.1	Very low	159 Å²	159	154.6 Å²	154.6	74%	0.743	81%	0.812	S	S	*	*			trans	-111	141.8	-169.9	-63.3	176.4	170.6	0	0	110.9	K20	K20-E22 WeakPolarHBondContact CE-OE1 3.43Å; K20-E22 IonicContact NZ-OE1 3.88Å; K20-E22 PolarHBondContact NZ-OE1 3.06Å
23	G	25.6	Very low	27.1	Very low	81 Å²	81	154.1 Å²	154.1	84%	0.835	81%	0.812	S	S	*	*			trans	-154.3	112.6	-179.1	0	0	0	0	0	112
24	R	25.4	Very low	26.6	Very low	232 Å²	232	157 Å²	157	88%	0.875	82%	0.816	S	S	*	*			trans	-92.9	124.2	-179.8	173.6	-171	178.7	-168	1.7	110.2
25	L	23.3	Very low	26.6	Very low	161 Å²	161	151.4 Å²	151.4	84%	0.843	81%	0.812	S	S	*	*			trans	-145.6	128.7	166.7	-112.6	164.5	0	0	0	111.5
26	T	28.9	Very low	26.6	Very low	119 Å²	119	158.4 Å²	158.4	73%	0.73	82%	0.824	S	S	*	*			trans	-105.7	125.8	175.2	46.4	0	0	0	0	109.8
27	V	23.8	Very low	26.6	Very low	139 Å²	139	155.9 Å²	155.9	84%	0.842	82%	0.824	S	S	*	*			trans	-126.3	152.5	170.6	180	0	0	0	0	108.9
28	K	22.8	Very low	27	Very low	202 Å²	202	161.2 Å²	161.2	88%	0.878	83%	0.833	S	S	*	*			trans	-85.4	158.3	-164.5	-56	174.5	-179.4	177.5	0	113
29	Q	30.4	Very low	27	Very low	188 Å²	188	154.6 Å²	154.6	88%	0.879	83%	0.826	S	S	*	*			trans	-74.8	152.4	152.5	-69.4	177.4	-32.4	0	0	110.5
30	E	23.9	Very low	27.3	Very low	182 Å²	182	151.8 Å²	151.8	85%	0.85	83%	0.827	S	S	*	*			trans	-164.1	157.3	137.8	-99.6	-67.7	92.4	0	0	106.9
31	P	38.8	Very low	27.3	Very low	107 Å²	107	149.6 Å²	149.6	70%	0.695	83%	0.833	S	S	*	*			trans	-95	154.6	-155.6	35.6	-37.3	0	0	0	115.8
32	A	24.5	Very low	28	Very low	102 Å²	102	148 Å²	148	84%	0.843	83%	0.829	S	S	*	*			trans	-106.2	110.1	163.7	0	0	0	0	0	109.8
33	N	25.7	Very low	27.8	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	84%	0.838	S	S	*	*			trans	-89.4	118.4	177.3	-175.7	12.2	0	0	0	110
34	Q	27.5	Very low	28.6	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	83%	0.825	S	S	*	*			trans	-135.7	103.7	170.2	-76.4	-167.3	-7.6	0	0	111
35	S	25.3	Very low	28.9	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	82%	0.823	S	S	*	*			trans	-72.8	131.5	168.1	55.4	0	0	0	0	111
36	W	24.6	Very low	29.2	Very low	236 Å²	236	149 Å²	149	89%	0.894	82%	0.821	S	S	*	*			trans	-112.7	129.2	156.4	-83.3	69.4	0	0	0	108.9
37	G	25.4	Very low	30.3	Very low	78 Å²	78	147.5 Å²	147.5	80%	0.804	81%	0.813	S	S	*	*			trans	-84.7	175.1	-172.3	0	0	0	0	0	114
38	Q	33.3	Very low	31.7	Very low	207 Å²	207	143.7 Å²	143.7	97%	0.967	79%	0.791	S	S	*	*			trans	-70.2	143.1	-179.1	-61.8	163.9	-55.3	0	0	112.4
39	G	24.8	Very low	32.9	Very low	79 Å²	79	138 Å²	138	81%	0.814	77%	0.773	S	S	*	*			trans	176.4	120.9	168.9	0	0	0	0	0	111.5
40	S	34.7	Very low	34.4	Very low	127 Å²	127	131.1 Å²	131.1	89%	0.888	75%	0.745	S	S	*	*			trans	-95.9	132.2	-174.4	58.3	0	0	0	0	113.3
41	S	26.8	Very low	36.5	Very low	119 Å²	119	124.6 Å²	124.6	83%	0.832	72%	0.715	S	S	*	*			trans	-159.6	140	144.3	-166.9	0	0	0	0	110.5
42	L	40	Very low	38	Very low	160 Å²	160	123.2 Å²	123.2	84%	0.838	70%	0.701	S	S	*	*			trans	-82.4	126.5	167	-95.8	80.5	0	0	0	109.7
43	Q	29.6	Very low	40.4	Very low	198 Å²	198	121.1 Å²	121.1	93%	0.925	67%	0.672	S	S	*	*			trans	-149.1	128.4	136.7	-123.7	172.5	-3.7	0	0	110.4
44	K	41.8	Very low	43	Very low	130 Å²	130	113.9 Å²	113.9	57%	0.565	63%	0.634	S	S	*	*			trans	-68.9	146.6	-179.3	-61.3	-165.3	175.5	-157.2	0	110.3	E124	K44-E124 IonicContact NZ-OE1 2.74Å; K44-E124 PolarHBondContact NZ-OE1 3.25Å
45	N	31.2	Very low	45.2	Very low	154 Å²	154	108.5 Å²	108.5	82%	0.824	61%	0.61	S	S	*	*			trans	170.6	70.3	141.1	-87	-19.5	0	0	0	112
46	H	29.9	Very low	47.6	Very low	172 Å²	172	108 Å²	108	80%	0.796	60%	0.595	S	S	*	*			trans	-155.5	39.6	162.8	-134.1	-64.4	0	0	0	119.6
47	P	52.3	Low	50.4	Low	87 Å²	87	99.6 Å²	99.6	57%	0.565	57%	0.565	S	S	*	*			trans	-71.3	132.8	156.7	32.8	-31.2	0	0	0	108.3
48	P	52	Low	52.8	Low	59 Å²	59	99.1 Å²	99.1	38%	0.383	54%	0.539	S	S	.	.				-150.6	-7.1	81	41.5	-26.1	0	0	0	117.6	C50 E51 I52	P48-C50 PolarHBondContact O-N 3.48Å; P48-E51 PolarHBondContact O-N 2.78Å; P48-I52 HydrophobicContact CB-CD1 3.75Å; P48-I52 HydrophobicContact CB-CG1 4.17Å; P48-I52 HydrophobicContact CG-CD1 4.13Å; P48-I52 WeakPolarHBondContact O-CB 3.36Å; P48-I52 WeakPolarHBondContact O-CG1 3.46Å; P48-I52 PolarHBondContact O-N 3.47Å
49	V	49.1	Very low	54.9	Low	83 Å²	83	95.6 Å²	95.6	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-60.6	-55.4	-158.7	-176.7	0	0	0	0	112.9	E51 I52 F53	V49-E51 PolarHBondContact O-N 3.18Å; V49-I52 PolarHBondContact O-N 3.11Å; V49-F53 HydrophobicContact CG1-CD2 3.97Å; V49-F53 HydrophobicContact CG1-CE2 3.62Å; V49-F53 WeakPolarHBondContact O-CD2 3.34Å; V49-F53 PolarHBondContact O-N 3.1Å
50	C	61.8	Low	57.5	Low	44 Å²	44	94.8 Å²	94.8	30%	0.297	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-38.7	-177.3	-53.9	0	0	0	0	112.6	P48 F53 R54	P48-C50 PolarHBondContact O-N 3.48Å; C50-F53 PolarHBondContact O-N 3.26Å; C50-R54 WeakPolarHBondContact O-CB 3.24Å; C50-R54 PolarHBondContact O-N 3.44Å
51	E	68.6	Low	59.4	Low	45 Å²	45	91.8 Å²	91.8	21%	0.21	48%	0.478	C	S	.	.	H	α-helix	trans	-72.8	-32.8	-179.9	-169.4	62.4	-156.3	0	0	111.7	P48 V49 F53 R54 L55 R58	P48-E51 PolarHBondContact O-N 2.78Å; V49-E51 PolarHBondContact O-N 3.18Å; E51-F53 VanDerWaalsContact C-N 3.34Å; E51-F53 PolarHBondContact O-N 3.24Å; E51-R54 VanDerWaalsContact CD-CD 3.45Å; E51-R54 WeakPolarHBondContact O-CB 3.37Å; E51-R54 PolarHBondContact O-N 3.09Å; E51-R54 WeakPolarHBondContact OE1-CD 3.46Å; E51-R54 IonicContact OE1-NH1 3.94Å; E51-R54 WeakPolarHBondContact OE2-CD 3.44Å; E51-R54 IonicContact OE2-CZ 3.72Å; E51-R54 IonicContact OE2-NE 2.8Å; E51-R54 IonicContact OE2-NH1 2.64Å; E51-R54 PolarHBondContact OE2-NH1 3.37Å; E51-L55 HydrophobicContact CG-CD1 4.41Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 VanDerWaalsContact O-CG 3.3Å; E51-L55 WeakPolarHBondContact O-CG 3.38Å; E51-L55 PolarHBondContact O-N 3.14Å; E51-R58 IonicContact OE1-NH1 3.71Å
52	I	69.1	Low	61.7	Low	78 Å²	78	92.3 Å²	92.3	40%	0.4	46%	0.462	S	S	.	.	H	α-helix	trans	-60.3	-44.7	169.4	-75.9	175.7	0	0	0	110.5	P48 V49 L55 H56	P48-I52 HydrophobicContact CB-CD1 3.75Å; P48-I52 HydrophobicContact CB-CG1 4.17Å; P48-I52 HydrophobicContact CG-CD1 4.13Å; P48-I52 WeakPolarHBondContact O-CB 3.36Å; P48-I52 WeakPolarHBondContact O-CG1 3.46Å; P48-I52 PolarHBondContact O-N 3.47Å; V49-I52 PolarHBondContact O-N 3.11Å; I52-L55 PolarHBondContact O-N 3.27Å; I52-H56 PolarHBondContact O-N 3.07Å; I52-H56 PolarHBondContact O-ND1 3.24Å
53	F	75.9	Confident	63.1	Low	57 Å²	57	93.6 Å²	93.6	25%	0.25	46%	0.464	C	S	.	.	H	α-helix	trans	-69.5	-33.7	178	-69.8	-59.8	0	0	0	112.8	V49 C50 E51 H56 F57 L78 W81 W82	V49-F53 HydrophobicContact CG1-CD2 3.97Å; V49-F53 HydrophobicContact CG1-CE2 3.62Å; V49-F53 WeakPolarHBondContact O-CD2 3.34Å; V49-F53 PolarHBondContact O-N 3.1Å; C50-F53 PolarHBondContact O-N 3.26Å; E51-F53 VanDerWaalsContact C-N 3.34Å; E51-F53 PolarHBondContact O-N 3.24Å; F53-H56 PolarHBondContact O-N 3.1Å; F53-F57 WeakPolarHBondContact O-CB 3.48Å; F53-F57 PolarHBondContact O-N 2.85Å; F53-L78 HydrophobicContact CD1-CD2 3.82Å; F53-W81 HydrophobicContact CB-CB 4.06Å; F53-W81 HydrophobicContact CD1-CB 3.98Å; F53-W81 HydrophobicContact CD2-CB 3.52Å; F53-W81 HydrophobicContact CD2-CG 4.4Å; F53-W81 HydrophobicContact CE1-CB 4.29Å; F53-W81 HydrophobicContact CE2-CB 3.85Å; F53-W81 HydrophobicContact CE2-CD2 4.47Å; F53-W81 HydrophobicContact CE2-CE3 4.48Å; F53-W81 HydrophobicContact CE2-CG 4.25Å; F53-W81 HydrophobicContact CG-CB 3.58Å; F53-W81 HydrophobicContact CZ-CB 4.23Å; F53-W81 HydrophobicContact CZ-CG 4.32Å; F53-W82 HydrophobicContact CB-CB 4.18Å
54	R	79.3	Confident	64.9	Low	2 Å²	2	92 Å²	92	1%	0.008	46%	0.456	C	S	.	.	H	α-helix	trans	-62	-44.7	170.8	-168.8	-170	-167.1	169.6	9	113	C50 E51 F57 R58 W82 E100	C50-R54 WeakPolarHBondContact O-CB 3.24Å; C50-R54 PolarHBondContact O-N 3.44Å; E51-R54 VanDerWaalsContact CD-CD 3.45Å; E51-R54 WeakPolarHBondContact O-CB 3.37Å; E51-R54 PolarHBondContact O-N 3.09Å; E51-R54 WeakPolarHBondContact OE1-CD 3.46Å; E51-R54 IonicContact OE1-NH1 3.94Å; E51-R54 WeakPolarHBondContact OE2-CD 3.44Å; E51-R54 IonicContact OE2-CZ 3.72Å; E51-R54 IonicContact OE2-NE 2.8Å; E51-R54 IonicContact OE2-NH1 2.64Å; E51-R54 PolarHBondContact OE2-NH1 3.37Å; R54-F57 WeakPolarHBondContact O-CB 3.44Å; R54-F57 PolarHBondContact O-N 3.36Å; R54-R58 WeakPolarHBondContact O-CG 3.31Å; R54-R58 PolarHBondContact O-N 2.91Å; R54-W82 HydrophobicContact CB-CB 4.45Å; R54-W82 HydrophobicContact CB-CD2 4.09Å; R54-W82 HydrophobicContact CB-CG 3.78Å; R54-W82 HydrophobicContact CG-CD2 3.92Å; R54-W82 HydrophobicContact CG-CG 4.14Å; R54-W82 HydrophobicContact CG-CZ2 4.09Å; R54-E100 IonicContact CZ-OE2 3.61Å; R54-E100 IonicContact NE-OE2 2.71Å; R54-E100 PolarHBondContact NE-OE2 3.47Å; R54-E100 IonicContact NH2-OE2 3.64Å; R54-E100 PolarHBondContact NH2-OE2 2.97Å; R54-E100 VanDerWaalsContact NH2-OE2 3.14Å
55	L	73.3	Confident	66.8	Low	54 Å²	54	87.6 Å²	87.6	28%	0.283	44%	0.438	S	S	.	.	H	α-helix	trans	-65	-42.5	177.8	-72	169.1	0	0	0	111	E51 I52 F57 R58 Q59	E51-L55 HydrophobicContact CG-CD1 4.41Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 VanDerWaalsContact O-CG 3.3Å; E51-L55 WeakPolarHBondContact O-CG 3.38Å; E51-L55 PolarHBondContact O-N 3.14Å; I52-L55 PolarHBondContact O-N 3.27Å; L55-F57 PolarHBondContact O-N 3.3Å; L55-R58 PolarHBondContact O-N 3.18Å; L55-Q59 WeakPolarHBondContact O-CB 3.26Å; L55-Q59 VanDerWaalsContact O-CG 3.24Å; L55-Q59 WeakPolarHBondContact O-CG 3.42Å; L55-Q59 PolarHBondContact O-N 3.38Å
56	H	77.4	Confident	68.8	Low	99 Å²	99	85.9 Å²	85.9	46%	0.458	44%	0.438	S	S	.	.	H	α-helix	trans	-64.3	-37.2	171.9	-71.3	103.8	0	0	0	112.8	I52 F53 R58 Q59 L60 L78	I52-H56 PolarHBondContact O-N 3.07Å; I52-H56 PolarHBondContact O-ND1 3.24Å; F53-H56 PolarHBondContact O-N 3.1Å; H56-R58 VanDerWaalsContact C-N 3.32Å; H56-R58 PolarHBondContact O-N 2.59Å; H56-Q59 PolarHBondContact O-N 3.47Å; H56-L60 PolarHBondContact O-N 2.94Å; H56-L78 HydrophobicContact CB-CD1 4.2Å; H56-L78 HydrophobicContact CB-CD2 3.94Å
57	F	82.3	Confident	71.2	Confident	59 Å²	59	78.6 Å²	78.6	26%	0.259	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-38.9	174.4	-178.2	-98.4	0	0	0	112	F53 R54 L55 L75 L78 C79 W82	F53-F57 WeakPolarHBondContact O-CB 3.48Å; F53-F57 PolarHBondContact O-N 2.85Å; R54-F57 WeakPolarHBondContact O-CB 3.44Å; R54-F57 PolarHBondContact O-N 3.36Å; L55-F57 PolarHBondContact O-N 3.3Å; F57-L75 HydrophobicContact CD2-CD2 3.88Å; F57-L75 HydrophobicContact CE2-CB 4.24Å; F57-L75 HydrophobicContact CE2-CD2 3.68Å; F57-L75 WeakPolarHBondContact CE2-O 3.21Å; F57-L75 HydrophobicContact CZ-CD2 4.4Å; F57-L78 HydrophobicContact CB-CB 4.12Å; F57-L78 HydrophobicContact CD2-CB 4.1Å; F57-C79 HydrophobicContact CD2-CB 4.09Å; F57-C79 HydrophobicContact CE2-CB 3.77Å; F57-C79 HydrophobicContact CZ-CB 4.46Å; F57-W82 HydrophobicContact CD1-CE3 4.21Å; F57-W82 HydrophobicContact CD1-CZ3 4.14Å; F57-W82 HydrophobicContact CE1-CZ3 4.15Å
58	R	76.2	Confident	72.2	Confident	69 Å²	69	78.6 Å²	78.6	26%	0.26	41%	0.41	S	S	.	.	H	α-helix	trans	-69.6	-31.2	173.1	-72.1	169.9	169.7	164.9	-0	113.9	E51 R54 L55 H56 E100 L103	E51-R58 IonicContact OE1-NH1 3.71Å; R54-R58 WeakPolarHBondContact O-CG 3.31Å; R54-R58 PolarHBondContact O-N 2.91Å; L55-R58 PolarHBondContact O-N 3.18Å; H56-R58 VanDerWaalsContact C-N 3.32Å; H56-R58 PolarHBondContact O-N 2.59Å; R58-E100 IonicContact CZ-OE1 3.64Å; R58-E100 IonicContact CZ-OE2 4Å; R58-E100 VanDerWaalsContact CZ-OE2 3.31Å; R58-E100 IonicContact NE-OE1 2.82Å; R58-E100 PolarHBondContact NE-OE1 3.06Å; R58-E100 IonicContact NE-OE2 2.74Å; R58-E100 PolarHBondContact NE-OE2 2.85Å; R58-E100 VanDerWaalsContact NH2-CD 3.34Å; R58-E100 IonicContact NH2-OE1 2.78Å; R58-E100 PolarHBondContact NH2-OE1 3.38Å; R58-E100 IonicContact NH2-OE2 3.71Å; R58-E100 PolarHBondContact NH2-OE2 3.13Å; R58-L103 VanDerWaalsContact NH2-CD1 3.27Å
59	Q	76.3	Confident	73.4	Confident	133 Å²	133	83.7 Å²	83.7	62%	0.621	43%	0.428	S	S	*	.	H	α-helix	trans	-101.6	2.2	-170.1	-67.9	175.5	8.8	0	0	114.2	L55 H56 C61	L55-Q59 WeakPolarHBondContact O-CB 3.26Å; L55-Q59 VanDerWaalsContact O-CG 3.24Å; L55-Q59 WeakPolarHBondContact O-CG 3.42Å; L55-Q59 PolarHBondContact O-N 3.38Å; H56-Q59 PolarHBondContact O-N 3.47Å; Q59-C61 PolarHBondContact O-N 3.5Å; Q59-C61 VanDerWaalsContact O-N 3.07Å
60	L	79.3	Confident	74.9	Confident	61 Å²	61	83.1 Å²	83.1	32%	0.319	42%	0.42	S	S	.	.			trans	-62.3	109.4	-176.1	-170.7	85	0	0	0	112.7	H56 Y62 M65 R74 L75 L78	H56-L60 PolarHBondContact O-N 2.94Å; L60-Y62 PolarHBondContact O-N 3.26Å; L60-M65 HydrophobicContact CD1-SD 4.29Å; L60-M65 HydrophobicContact CD2-SD 4.03Å; L60-M65 HydrophobicContact CG-SD 4.21Å; L60-R74 HydrophobicContact CD1-CB 4.34Å; L60-R74 HydrophobicContact CD2-CB 4.49Å; L60-L75 HydrophobicContact CB-CD2 4.48Å; L60-L75 HydrophobicContact CD2-CD1 4.43Å; L60-L75 HydrophobicContact CD2-CD2 3.59Å; L60-L75 HydrophobicContact CD2-CG 3.59Å; L60-L78 HydrophobicContact CD1-CD1 4.02Å
61	C	75.9	Confident	75.9	Confident	64 Å²	64	81.4 Å²	81.4	43%	0.432	41%	0.409	S	S	.	.			trans	-84.9	111.1	-179.9	-77.7	0	0	0	0	112.5	Q59 H63 E64	Q59-C61 PolarHBondContact O-N 3.5Å; Q59-C61 VanDerWaalsContact O-N 3.07Å; C61-H63 PolarHBondContact O-N 3.3Å; C61-H63 VanDerWaalsContact O-N 3.08Å; C61-E64 HydrophobicContact CB-CG 3.94Å; C61-E64 PolarHBondContact O-N 3.4Å; C61-E64 VanDerWaalsContact O-N 3.08Å
62	Y	73.6	Confident	76.6	Confident	131 Å²	131	83.6 Å²	83.6	51%	0.514	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-54.7	-29.9	178.1	-176	-92.6	0	0	0	114.3	L60 E64 M65 P68 A71	L60-Y62 PolarHBondContact O-N 3.26Å; Y62-E64 PolarHBondContact O-N 2.83Å; Y62-M65 PolarHBondContact O-N 3.21Å; Y62-P68 HydrophobicContact CE2-CB 4.19Å; Y62-P68 WeakPolarHBondContact OH-CD 3.39Å; Y62-A71 HydrophobicContact CD2-CB 3.93Å; Y62-A71 HydrophobicContact CE2-CB 4.08Å
63	H	69.6	Low	77.3	Confident	186 Å²	186	82.6 Å²	82.6	86%	0.861	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-69	-12.3	-179.5	-62	102.9	0	0	0	114.4	C61	C61-H63 PolarHBondContact O-N 3.3Å; C61-H63 VanDerWaalsContact O-N 3.08Å
64	E	68.3	Low	77.5	Confident	164 Å²	164	85.5 Å²	85.5	77%	0.766	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-97	12.1	-177.5	-57.4	-177.6	141.1	0	0	112.6	C61 Y62	C61-E64 HydrophobicContact CB-CG 3.94Å; C61-E64 PolarHBondContact O-N 3.4Å; C61-E64 VanDerWaalsContact O-N 3.08Å; Y62-E64 PolarHBondContact O-N 2.83Å
65	M	80.6	Confident	77.7	Confident	39 Å²	39	88.3 Å²	88.3	19%	0.192	45%	0.446	C	S	.	.	S	Bend	trans	-126.7	148.3	-165.3	-53	-159.8	74	0	0	113.1	L60 Y62 G67 E70 A71 R74	L60-M65 HydrophobicContact CD1-SD 4.29Å; L60-M65 HydrophobicContact CD2-SD 4.03Å; L60-M65 HydrophobicContact CG-SD 4.21Å; Y62-M65 PolarHBondContact O-N 3.21Å; M65-G67 PolarHBondContact O-N 3.1Å; M65-G67 VanDerWaalsContact O-N 3.13Å; M65-E70 HydrophobicContact CE-CB 4.23Å; M65-E70 HydrophobicContact CE-CG 3.86Å; M65-A71 HydrophobicContact CE-CB 4.36Å; M65-A71 VanDerWaalsContact SD-CA 3.52Å; M65-A71 HydrophobicContact SD-CB 3.69Å; M65-R74 HydrophobicContact CE-CB 3.88Å; M65-R74 HydrophobicContact CE-CG 3.45Å; M65-R74 VanDerWaalsContact CE-CG 3.45Å
66	S	74.3	Confident	78.3	Confident	117 Å²	117	93.7 Å²	93.7	82%	0.818	46%	0.462	S	S	*	.	S	Bend	trans	-71.4	-9.1	-174.7	-37.9	0	0	0	0	114	E70	S66-E70 WeakPolarHBondContact CA-OE2 3.37Å; S66-E70 WeakPolarHBondContact CB-OE2 3.46Å; S66-E70 PolarHBondContact N-OE2 2.86Å; S66-E70 PolarHBondContact OG-OE2 3.44Å
67	G	80.4	Confident	78.6	Confident	19 Å²	19	93.2 Å²	93.2	20%	0.196	46%	0.46	C	S	.	.			trans	158.6	175.3	176.4	0	0	0	0	0	114	M65 Q69 E70 A71	M65-G67 PolarHBondContact O-N 3.1Å; M65-G67 VanDerWaalsContact O-N 3.13Å; G67-Q69 VanDerWaalsContact C-N 3.25Å; G67-Q69 PolarHBondContact O-N 3.32Å; G67-E70 PolarHBondContact O-N 2.9Å; G67-A71 PolarHBondContact O-N 3.02Å; G67-A71 VanDerWaalsContact O-N 3.15Å
68	P	73.8	Confident	78.7	Confident	88 Å²	88	91.7 Å²	91.7	57%	0.571	45%	0.454	S	S	*	.	H	α-helix	trans	-66	-24.8	-171.5	25.9	-34.3	0	0	0	113.9	Y62 L72	Y62-P68 HydrophobicContact CE2-CB 4.19Å; Y62-P68 WeakPolarHBondContact OH-CD 3.39Å; P68-L72 WeakPolarHBondContact O-CB 3.43Å; P68-L72 PolarHBondContact O-N 3.14Å
69	Q	77	Confident	79	Confident	165 Å²	165	90.1 Å²	90.1	77%	0.771	45%	0.454	S	S	*	.	H	α-helix	trans	-73.9	-30.3	176	-172.2	169.8	-13.8	0	0	112.4	G67 S73	G67-Q69 VanDerWaalsContact C-N 3.25Å; G67-Q69 PolarHBondContact O-N 3.32Å; Q69-S73 WeakPolarHBondContact O-CB 3.49Å; Q69-S73 PolarHBondContact O-N 3.24Å; Q69-S73 PolarHBondContact O-OG 3.12Å
70	E	79.9	Confident	79.3	Confident	72 Å²	72	88.1 Å²	88.1	34%	0.336	44%	0.444	S	S	.	.	H	α-helix	trans	-74.2	-43.8	172.3	-164.2	-178.9	-171.2	0	0	110.4	M65 S66 G67 L72 S73 R74	M65-E70 HydrophobicContact CE-CB 4.23Å; M65-E70 HydrophobicContact CE-CG 3.86Å; S66-E70 WeakPolarHBondContact CA-OE2 3.37Å; S66-E70 WeakPolarHBondContact CB-OE2 3.46Å; S66-E70 PolarHBondContact N-OE2 2.86Å; S66-E70 PolarHBondContact OG-OE2 3.44Å; G67-E70 PolarHBondContact O-N 2.9Å; E70-L72 PolarHBondContact O-N 3.46Å; E70-S73 WeakPolarHBondContact O-CA 3.27Å; E70-S73 WeakPolarHBondContact O-CB 3.46Å; E70-S73 PolarHBondContact O-N 3.4Å; E70-R74 PolarHBondContact O-N 3.08Å
71	A	83.2	Confident	79.3	Confident	7 Å²	7	91.7 Å²	91.7	6%	0.058	45%	0.453	C	S	.	.	H	α-helix	trans	-55.9	-48.4	174.6	0	0	0	0	0	112.7	Y62 M65 G67 S73 R74 L75	Y62-A71 HydrophobicContact CD2-CB 3.93Å; Y62-A71 HydrophobicContact CE2-CB 4.08Å; M65-A71 HydrophobicContact CE-CB 4.36Å; M65-A71 VanDerWaalsContact SD-CA 3.52Å; M65-A71 HydrophobicContact SD-CB 3.69Å; G67-A71 PolarHBondContact O-N 3.02Å; G67-A71 VanDerWaalsContact O-N 3.15Å; A71-S73 VanDerWaalsContact C-N 3.26Å; A71-S73 PolarHBondContact O-N 3.25Å; A71-R74 PolarHBondContact O-N 2.98Å; A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 WeakPolarHBondContact O-CG 3.44Å; A71-L75 PolarHBondContact O-N 3.16Å
72	L	82.3	Confident	79.6	Confident	92 Å²	92	88.8 Å²	88.8	48%	0.482	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-30.8	175.9	-177.9	59.8	0	0	0	112.7	P68 E70 R76	P68-L72 WeakPolarHBondContact O-CB 3.43Å; P68-L72 PolarHBondContact O-N 3.14Å; E70-L72 PolarHBondContact O-N 3.46Å; L72-R76 WeakPolarHBondContact O-CD 3.14Å; L72-R76 VanDerWaalsContact O-CG 3.22Å; L72-R76 WeakPolarHBondContact O-CG 3.22Å; L72-R76 PolarHBondContact O-N 3.03Å
73	S	84.1	Confident	80	Confident	56 Å²	56	83.4 Å²	83.4	39%	0.392	41%	0.413	S	S	.	.	H	α-helix	trans	-71.6	-47.8	176.7	-57.5	0	0	0	0	111.3	Q69 E70 A71 L75 R76 E77	Q69-S73 WeakPolarHBondContact O-CB 3.49Å; Q69-S73 PolarHBondContact O-N 3.24Å; Q69-S73 PolarHBondContact O-OG 3.12Å; E70-S73 WeakPolarHBondContact O-CA 3.27Å; E70-S73 WeakPolarHBondContact O-CB 3.46Å; E70-S73 PolarHBondContact O-N 3.4Å; A71-S73 VanDerWaalsContact C-N 3.26Å; A71-S73 PolarHBondContact O-N 3.25Å; S73-L75 PolarHBondContact O-N 2.92Å; S73-R76 WeakPolarHBondContact O-CB 3.33Å; S73-R76 PolarHBondContact O-N 2.92Å; S73-R76 VanDerWaalsContact O-N 3.15Å; S73-E77 PolarHBondContact O-N 2.88Å
74	R	81.4	Confident	80.4	Confident	118 Å²	118	76.3 Å²	76.3	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-38.1	176.8	-65.7	-51.9	-162.6	169.3	6.5	113.1	L60 M65 E70 A71 R76 E77 L78	L60-R74 HydrophobicContact CD1-CB 4.34Å; L60-R74 HydrophobicContact CD2-CB 4.49Å; M65-R74 HydrophobicContact CE-CB 3.88Å; M65-R74 HydrophobicContact CE-CG 3.45Å; M65-R74 VanDerWaalsContact CE-CG 3.45Å; E70-R74 PolarHBondContact O-N 3.08Å; A71-R74 PolarHBondContact O-N 2.98Å; R74-R76 VanDerWaalsContact C-N 3.27Å; R74-R76 PolarHBondContact O-N 3.18Å; R74-E77 WeakPolarHBondContact CD-OE2 3.5Å; R74-E77 IonicContact CZ-OE2 3.74Å; R74-E77 IonicContact NE-OE2 3.37Å; R74-E77 IonicContact NH1-OE1 2.75Å; R74-E77 IonicContact NH1-OE2 3.92Å; R74-E77 PolarHBondContact NH1-OE2 3.08Å; R74-E77 PolarHBondContact O-N 3.47Å; R74-L78 WeakPolarHBondContact O-CB 3.2Å; R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 3.04Å
75	L	83.3	Confident	80.9	Confident	62 Å²	62	71.5 Å²	71.5	33%	0.325	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-38	172.2	-75.5	171.3	0	0	0	111.9	F57 L60 A71 S73 C79	F57-L75 HydrophobicContact CD2-CD2 3.88Å; F57-L75 HydrophobicContact CE2-CB 4.24Å; F57-L75 HydrophobicContact CE2-CD2 3.68Å; F57-L75 WeakPolarHBondContact CE2-O 3.21Å; F57-L75 HydrophobicContact CZ-CD2 4.4Å; L60-L75 HydrophobicContact CB-CD2 4.48Å; L60-L75 HydrophobicContact CD2-CD1 4.43Å; L60-L75 HydrophobicContact CD2-CD2 3.59Å; L60-L75 HydrophobicContact CD2-CG 3.59Å; A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 WeakPolarHBondContact O-CG 3.44Å; A71-L75 PolarHBondContact O-N 3.16Å; S73-L75 PolarHBondContact O-N 2.92Å; L75-C79 WeakPolarHBondContact O-CB 3.49Å; L75-C79 PolarHBondContact O-N 3.2Å
76	R	84.9	Confident	80.8	Confident	167 Å²	167	75.9 Å²	75.9	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-69.1	-43.9	176.2	-74.3	169.8	-177.5	-76.7	-3.1	112.1	L72 S73 R74 H80	L72-R76 WeakPolarHBondContact O-CD 3.14Å; L72-R76 VanDerWaalsContact O-CG 3.22Å; L72-R76 WeakPolarHBondContact O-CG 3.22Å; L72-R76 PolarHBondContact O-N 3.03Å; S73-R76 WeakPolarHBondContact O-CB 3.33Å; S73-R76 PolarHBondContact O-N 2.92Å; S73-R76 VanDerWaalsContact O-N 3.15Å; R74-R76 VanDerWaalsContact C-N 3.27Å; R74-R76 PolarHBondContact O-N 3.18Å; R76-H80 VanDerWaalsContact O-CB 3.29Å; R76-H80 WeakPolarHBondContact O-CB 3.21Å; R76-H80 PolarHBondContact O-N 3.4Å
77	E	84	Confident	80.6	Confident	88 Å²	88	75.2 Å²	75.2	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-59.6	-52.6	175.1	-70.3	172.4	177	0	0	111.5	S73 R74 C79 H80 W81	S73-E77 PolarHBondContact O-N 2.88Å; R74-E77 WeakPolarHBondContact CD-OE2 3.5Å; R74-E77 IonicContact CZ-OE2 3.74Å; R74-E77 IonicContact NE-OE2 3.37Å; R74-E77 IonicContact NH1-OE1 2.75Å; R74-E77 IonicContact NH1-OE2 3.92Å; R74-E77 PolarHBondContact NH1-OE2 3.08Å; R74-E77 PolarHBondContact O-N 3.47Å; E77-C79 PolarHBondContact O-N 3.14Å; E77-H80 WeakPolarHBondContact O-CB 3.47Å; E77-H80 PolarHBondContact O-N 2.95Å; E77-W81 PolarHBondContact O-N 3.25Å
78	L	83.2	Confident	80.6	Confident	27 Å²	27	76.8 Å²	76.8	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-39.1	-178.8	-68.9	172.4	0	0	0	112.4	F53 H56 F57 L60 R74 W81 W82	F53-L78 HydrophobicContact CD1-CD2 3.82Å; H56-L78 HydrophobicContact CB-CD1 4.2Å; H56-L78 HydrophobicContact CB-CD2 3.94Å; F57-L78 HydrophobicContact CB-CB 4.12Å; F57-L78 HydrophobicContact CD2-CB 4.1Å; L60-L78 HydrophobicContact CD1-CD1 4.02Å; R74-L78 WeakPolarHBondContact O-CB 3.2Å; R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 3.04Å; L78-W81 PolarHBondContact O-N 3.45Å; L78-W82 VanDerWaalsContact O-CB 3.29Å; L78-W82 WeakPolarHBondContact O-CB 3.46Å; L78-W82 PolarHBondContact O-N 2.88Å
79	C	83.9	Confident	80.9	Confident	36 Å²	36	75.8 Å²	75.8	24%	0.243	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-39.3	174.4	-174	0	0	0	0	111.9	F57 L75 E77 W82 L83	F57-C79 HydrophobicContact CD2-CB 4.09Å; F57-C79 HydrophobicContact CE2-CB 3.77Å; F57-C79 HydrophobicContact CZ-CB 4.46Å; L75-C79 WeakPolarHBondContact O-CB 3.49Å; L75-C79 PolarHBondContact O-N 3.2Å; E77-C79 PolarHBondContact O-N 3.14Å; C79-W82 PolarHBondContact O-N 3.12Å; C79-L83 WeakPolarHBondContact O-CB 3.41Å; C79-L83 WeakPolarHBondContact O-CG 3.42Å; C79-L83 PolarHBondContact O-N 3Å; C79-L83 VanDerWaalsContact SG-CD1 3.55Å
80	H	81.7	Confident	80.9	Confident	92 Å²	92	75.7 Å²	75.7	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-42	176.7	-163.4	-54.4	0	0	0	112.2	R76 E77 M84 P85 E86	R76-H80 VanDerWaalsContact O-CB 3.29Å; R76-H80 WeakPolarHBondContact O-CB 3.21Å; R76-H80 PolarHBondContact O-N 3.4Å; E77-H80 WeakPolarHBondContact O-CB 3.47Å; E77-H80 PolarHBondContact O-N 2.95Å; H80-M84 WeakPolarHBondContact O-CA 3.39Å; H80-M84 PolarHBondContact O-N 3.2Å; H80-P85 WeakPolarHBondContact O-CD 3.42Å; H80-E86 IonicContact CE1-OE1 3.14Å; H80-E86 PolarHBondContact CE1-OE1 3.43Å; H80-E86 IonicContact CE1-OE2 3.67Å; H80-E86 PolarHBondContact CE1-OE2 2.85Å; H80-E86 IonicContact ND1-OE2 3.97Å; H80-E86 IonicContact NE2-OE1 2.84Å
81	W	79.1	Confident	80.9	Confident	135 Å²	135	78 Å²	78	51%	0.511	38%	0.377	S	S	.	.	H	α-helix	trans	-76.4	-22.2	177.3	-73.8	115.6	0	0	0	114.2	F53 E77 L78 M84	F53-W81 HydrophobicContact CB-CB 4.06Å; F53-W81 HydrophobicContact CD1-CB 3.98Å; F53-W81 HydrophobicContact CD2-CB 3.52Å; F53-W81 HydrophobicContact CD2-CG 4.4Å; F53-W81 HydrophobicContact CE1-CB 4.29Å; F53-W81 HydrophobicContact CE2-CB 3.85Å; F53-W81 HydrophobicContact CE2-CD2 4.47Å; F53-W81 HydrophobicContact CE2-CE3 4.48Å; F53-W81 HydrophobicContact CE2-CG 4.25Å; F53-W81 HydrophobicContact CG-CB 3.58Å; F53-W81 HydrophobicContact CZ-CB 4.23Å; F53-W81 HydrophobicContact CZ-CG 4.32Å; E77-W81 PolarHBondContact O-N 3.25Å; L78-W81 PolarHBondContact O-N 3.45Å; W81-M84 HydrophobicContact CE3-SD 3.8Å; W81-M84 HydrophobicContact CZ3-SD 4.3Å; W81-M84 WeakPolarHBondContact O-CG 3.35Å
82	W	83.8	Confident	80.5	Confident	3 Å²	3	82.2 Å²	82.2	1%	0.011	40%	0.396	C	S	.	.	H	α-helix	trans	-76.9	-51.8	170	164.8	34.8	0	0	0	111.4	F53 R54 F57 L78 C79 L96 L97 E100	F53-W82 HydrophobicContact CB-CB 4.18Å; R54-W82 HydrophobicContact CB-CB 4.45Å; R54-W82 HydrophobicContact CB-CD2 4.09Å; R54-W82 HydrophobicContact CB-CG 3.78Å; R54-W82 HydrophobicContact CG-CD2 3.92Å; R54-W82 HydrophobicContact CG-CG 4.14Å; R54-W82 HydrophobicContact CG-CZ2 4.09Å; F57-W82 HydrophobicContact CD1-CE3 4.21Å; F57-W82 HydrophobicContact CD1-CZ3 4.14Å; F57-W82 HydrophobicContact CE1-CZ3 4.15Å; L78-W82 VanDerWaalsContact O-CB 3.29Å; L78-W82 WeakPolarHBondContact O-CB 3.46Å; L78-W82 PolarHBondContact O-N 2.88Å; C79-W82 PolarHBondContact O-N 3.12Å; W82-L96 HydrophobicContact CZ2-CB 4.47Å; W82-L97 HydrophobicContact CH2-CD2 3.88Å; W82-L97 HydrophobicContact CZ3-CD2 4.16Å; W82-E100 HydrophobicContact CH2-CB 3.67Å; W82-E100 HydrophobicContact CH2-CG 3.71Å; W82-E100 HydrophobicContact CZ2-CB 3.97Å; W82-E100 HydrophobicContact CZ2-CG 4.31Å
83	L	81.6	Confident	80.5	Confident	18 Å²	18	79.3 Å²	79.3	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-80.5	-17.3	-173.2	-61.6	177.6	0	0	0	113.6	C79 H88 I93 L96 L97	C79-L83 WeakPolarHBondContact O-CB 3.41Å; C79-L83 WeakPolarHBondContact O-CG 3.42Å; C79-L83 PolarHBondContact O-N 3Å; C79-L83 VanDerWaalsContact SG-CD1 3.55Å; L83-H88 PolarHBondContact O-ND1 3.21Å; L83-I93 HydrophobicContact CB-CG2 4.46Å; L83-I93 HydrophobicContact CD1-CG2 4.15Å; L83-I93 HydrophobicContact CD2-CG2 4.4Å; L83-L96 HydrophobicContact CD2-CB 4.07Å; L83-L96 HydrophobicContact CD2-CD1 4.47Å; L83-L97 HydrophobicContact CD1-CD1 4.48Å; L83-L97 HydrophobicContact CD1-CD2 4.18Å; L83-L97 HydrophobicContact CD1-CG 4.44Å; L83-L97 HydrophobicContact CD2-CD2 4.23Å; L83-L97 HydrophobicContact CD2-CG 4.19Å
84	M	77.3	Confident	80.4	Confident	38 Å²	38	81.6 Å²	81.6	19%	0.187	39%	0.388	C	S	.	.			trans	41.2	63	177.1	-67.4	-63	-60.6	0	0	113.3	H80 W81 E86 V87 H88	H80-M84 WeakPolarHBondContact O-CA 3.39Å; H80-M84 PolarHBondContact O-N 3.2Å; W81-M84 HydrophobicContact CE3-SD 3.8Å; W81-M84 HydrophobicContact CZ3-SD 4.3Å; W81-M84 WeakPolarHBondContact O-CG 3.35Å; M84-E86 PolarHBondContact O-N 3.32Å; M84-V87 HydrophobicContact CB-CB 4.29Å; M84-V87 HydrophobicContact CB-CG2 4.42Å; M84-V87 HydrophobicContact CE-CG2 4Å; M84-V87 PolarHBondContact O-N 3.48Å; M84-H88 PolarHBondContact O-N 3.37Å
85	P	78.1	Confident	80.4	Confident	62 Å²	62	80.6 Å²	80.6	40%	0.403	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10	-172.9	28.4	-35.5	0	0	0	114.6	H80 V87 I93	H80-P85 WeakPolarHBondContact O-CD 3.42Å; P85-V87 VanDerWaalsContact C-N 3.33Å; P85-I93 HydrophobicContact CB-CD1 4.15Å
86	E	78.9	Confident	80.4	Confident	132 Å²	132	79.1 Å²	79.1	62%	0.617	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.5	169.6	-64.7	65.9	-143.2	0	0	113.3	H80 M84	H80-E86 IonicContact CE1-OE1 3.14Å; H80-E86 PolarHBondContact CE1-OE1 3.43Å; H80-E86 IonicContact CE1-OE2 3.67Å; H80-E86 PolarHBondContact CE1-OE2 2.85Å; H80-E86 IonicContact ND1-OE2 3.97Å; H80-E86 IonicContact NE2-OE1 2.84Å; M84-E86 PolarHBondContact O-N 3.32Å
87	V	71.3	Confident	80.3	Confident	102 Å²	102	74.6 Å²	74.6	62%	0.618	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-41.1	-169.3	-175.4	0	0	0	0	111.9	M84 P85	M84-V87 HydrophobicContact CB-CB 4.29Å; M84-V87 HydrophobicContact CB-CG2 4.42Å; M84-V87 HydrophobicContact CE-CG2 4Å; M84-V87 PolarHBondContact O-N 3.48Å; P85-V87 VanDerWaalsContact C-N 3.33Å
88	H	80.1	Confident	80.3	Confident	52 Å²	52	74.1 Å²	74.1	24%	0.241	37%	0.371	C	S	.	.	S	Bend	trans	-87.6	142.4	-179.5	-64.4	120.9	0	0	0	112.6	L83 M84 Q92 I93	L83-H88 PolarHBondContact O-ND1 3.21Å; M84-H88 PolarHBondContact O-N 3.37Å; H88-Q92 HydrophobicContact CB-CB 4Å; H88-I93 HydrophobicContact CB-CD1 4.32Å; H88-I93 HydrophobicContact CB-CG1 3.68Å
89	T	80.6	Confident	80.3	Confident	68 Å²	68	72.9 Å²	72.9	42%	0.417	37%	0.365	S	S	.	.			trans	-69.1	164.8	167.7	81.7	0	0	0	0	110.9	E91 Q92 I93	T89-E91 WeakPolarHBondContact CB-OE2 3.41Å; T89-E91 PolarHBondContact O-N 3.15Å; T89-E91 PolarHBondContact OG1-N 3.42Å; T89-E91 PolarHBondContact OG1-OE2 3.42Å; T89-Q92 PolarHBondContact O-N 3.21Å; T89-Q92 VanDerWaalsContact O-N 3.14Å; T89-Q92 PolarHBondContact OG1-N 3.35Å; T89-I93 WeakPolarHBondContact O-CG1 3.33Å; T89-I93 PolarHBondContact O-N 3.48Å
90	K	77.1	Confident	80.3	Confident	162 Å²	162	72.8 Å²	72.8	70%	0.704	36%	0.361	S	S	*	.	H	α-helix	trans	-60.3	-34.2	179.9	-67.3	175.8	-177.7	171.9	0	111.9	L94	K90-L94 WeakPolarHBondContact O-CB 3.46Å; K90-L94 VanDerWaalsContact O-CG 3.24Å; K90-L94 WeakPolarHBondContact O-CG 3.42Å; K90-L94 PolarHBondContact O-N 3.4Å
91	E	78.7	Confident	80.4	Confident	121 Å²	121	73.9 Å²	73.9	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-67.9	-45.6	178.3	-57.5	66.5	-142.9	0	0	109.8	T89 L94 E95	T89-E91 WeakPolarHBondContact CB-OE2 3.41Å; T89-E91 PolarHBondContact O-N 3.15Å; T89-E91 PolarHBondContact OG1-N 3.42Å; T89-E91 PolarHBondContact OG1-OE2 3.42Å; E91-L94 WeakPolarHBondContact O-CB 3.46Å; E91-L94 PolarHBondContact O-N 3.04Å; E91-E95 PolarHBondContact O-N 3.03Å
92	Q	74.9	Confident	80.6	Confident	95 Å²	95	70 Å²	70	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-39.3	174.6	-68.6	171.1	-33	0	0	112.5	H88 T89 L94 E95 L96	H88-Q92 HydrophobicContact CB-CB 4Å; T89-Q92 PolarHBondContact O-N 3.21Å; T89-Q92 VanDerWaalsContact O-N 3.14Å; T89-Q92 PolarHBondContact OG1-N 3.35Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 2.98Å; Q92-E95 PolarHBondContact O-N 3.4Å; Q92-L96 WeakPolarHBondContact O-CG 3.25Å; Q92-L96 PolarHBondContact O-N 2.88Å
93	I	82.9	Confident	80.4	Confident	32 Å²	32	70.1 Å²	70.1	16%	0.164	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-40.2	173.9	-65.6	165.6	0	0	0	110.6	L83 P85 H88 T89 L96 L97	L83-I93 HydrophobicContact CB-CG2 4.46Å; L83-I93 HydrophobicContact CD1-CG2 4.15Å; L83-I93 HydrophobicContact CD2-CG2 4.4Å; P85-I93 HydrophobicContact CB-CD1 4.15Å; H88-I93 HydrophobicContact CB-CD1 4.32Å; H88-I93 HydrophobicContact CB-CG1 3.68Å; T89-I93 WeakPolarHBondContact O-CG1 3.33Å; T89-I93 PolarHBondContact O-N 3.48Å; I93-L96 PolarHBondContact O-N 3.06Å; I93-L97 HydrophobicContact CG2-CD1 4.1Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.56Å; I93-L97 VanDerWaalsContact O-N 3.11Å
94	L	81.7	Confident	80.2	Confident	104 Å²	104	71.6 Å²	71.6	55%	0.545	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-43.1	174.8	-75	167.6	0	0	0	111.5	K90 E91 Q92 L96 L97 V98	K90-L94 WeakPolarHBondContact O-CB 3.46Å; K90-L94 VanDerWaalsContact O-CG 3.24Å; K90-L94 WeakPolarHBondContact O-CG 3.42Å; K90-L94 PolarHBondContact O-N 3.4Å; E91-L94 WeakPolarHBondContact O-CB 3.46Å; E91-L94 PolarHBondContact O-N 3.04Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 2.98Å; L94-L96 PolarHBondContact O-N 3.07Å; L94-L97 CarbonylContact O-C 3.58Å; L94-L97 PolarHBondContact O-N 2.92Å; L94-V98 WeakPolarHBondContact O-CB 3.42Å; L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 2.78Å
95	E	81.3	Confident	80.4	Confident	97 Å²	97	75.4 Å²	75.4	45%	0.453	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-37.7	176.8	-68.9	-50.4	143.1	0	0	113.1	E91 Q92 L97 V98 L99	E91-E95 PolarHBondContact O-N 3.03Å; Q92-E95 PolarHBondContact O-N 3.4Å; E95-L97 VanDerWaalsContact C-N 3.3Å; E95-L97 PolarHBondContact O-N 2.83Å; E95-V98 PolarHBondContact O-N 3.41Å; E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.16Å; E95-L99 PolarHBondContact O-N 3.22Å
96	L	82.5	Confident	80.6	Confident	30 Å²	30	73.1 Å²	73.1	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-38.2	172.5	-71.3	172.2	0	0	0	112.1	W82 L83 Q92 I93 L94 E100	W82-L96 HydrophobicContact CZ2-CB 4.47Å; L83-L96 HydrophobicContact CD2-CB 4.07Å; L83-L96 HydrophobicContact CD2-CD1 4.47Å; Q92-L96 WeakPolarHBondContact O-CG 3.25Å; Q92-L96 PolarHBondContact O-N 2.88Å; I93-L96 PolarHBondContact O-N 3.06Å; L94-L96 PolarHBondContact O-N 3.07Å; L96-E100 PolarHBondContact O-N 3.22Å
97	L	84	Confident	80.5	Confident	73 Å²	73	70.6 Å²	70.6	38%	0.382	37%	0.365	S	S	.	.	H	α-helix	trans	-73.1	-35.9	175.2	-70.2	168.6	0	0	0	112.8	W82 L83 I93 L94 E95 E100 Q101	W82-L97 HydrophobicContact CH2-CD2 3.88Å; W82-L97 HydrophobicContact CZ3-CD2 4.16Å; L83-L97 HydrophobicContact CD1-CD1 4.48Å; L83-L97 HydrophobicContact CD1-CD2 4.18Å; L83-L97 HydrophobicContact CD1-CG 4.44Å; L83-L97 HydrophobicContact CD2-CD2 4.23Å; L83-L97 HydrophobicContact CD2-CG 4.19Å; I93-L97 HydrophobicContact CG2-CD1 4.1Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.56Å; I93-L97 VanDerWaalsContact O-N 3.11Å; L94-L97 CarbonylContact O-C 3.58Å; L94-L97 PolarHBondContact O-N 2.92Å; E95-L97 VanDerWaalsContact C-N 3.3Å; E95-L97 PolarHBondContact O-N 2.83Å; L97-E100 PolarHBondContact O-N 3.48Å; L97-Q101 WeakPolarHBondContact O-CB 3.34Å; L97-Q101 PolarHBondContact O-N 3.45Å
98	V	82.9	Confident	80.7	Confident	78 Å²	78	68.1 Å²	68.1	47%	0.473	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-43.9	174.2	166.7	0	0	0	0	110.4	L94 E95 E100 Q101 F102	L94-V98 WeakPolarHBondContact O-CB 3.42Å; L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 2.78Å; E95-V98 PolarHBondContact O-N 3.41Å; V98-E100 VanDerWaalsContact C-N 3.33Å; V98-E100 PolarHBondContact O-N 2.86Å; V98-Q101 CarbonylContact O-C 3.6Å; V98-Q101 PolarHBondContact O-N 2.97Å; V98-F102 WeakPolarHBondContact O-CB 3.28Å; V98-F102 PolarHBondContact O-N 3.01Å
99	L	83.9	Confident	80.3	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-60.8	-40.1	173	174.2	63.5	0	0	0	111.6	E95 F102 L103 A125	E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.16Å; E95-L99 PolarHBondContact O-N 3.22Å; L99-F102 PolarHBondContact O-N 2.89Å; L99-L103 HydrophobicContact CD1-CD1 4.02Å; L99-L103 HydrophobicContact CD1-CG 4.1Å; L99-L103 HydrophobicContact CG-CD1 4.17Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 3Å; L99-A125 HydrophobicContact CD1-CB 3.46Å; L99-A125 VanDerWaalsContact CD1-CB 3.46Å
100	E	84.3	Confident	80.1	Confident	33 Å²	33	71.9 Å²	71.9	15%	0.154	37%	0.374	C	S	.	.	H	α-helix	trans	-61.3	-48.5	173.1	-171.3	58.9	-149.5	0	0	112	R54 R58 W82 L96 L97 V98 F102 L103 S104	R54-E100 IonicContact CZ-OE2 3.61Å; R54-E100 IonicContact NE-OE2 2.71Å; R54-E100 PolarHBondContact NE-OE2 3.47Å; R54-E100 IonicContact NH2-OE2 3.64Å; R54-E100 PolarHBondContact NH2-OE2 2.97Å; R54-E100 VanDerWaalsContact NH2-OE2 3.14Å; R58-E100 IonicContact CZ-OE1 3.64Å; R58-E100 IonicContact CZ-OE2 4Å; R58-E100 VanDerWaalsContact CZ-OE2 3.31Å; R58-E100 IonicContact NE-OE1 2.82Å; R58-E100 PolarHBondContact NE-OE1 3.06Å; R58-E100 IonicContact NE-OE2 2.74Å; R58-E100 PolarHBondContact NE-OE2 2.85Å; R58-E100 VanDerWaalsContact NH2-CD 3.34Å; R58-E100 IonicContact NH2-OE1 2.78Å; R58-E100 PolarHBondContact NH2-OE1 3.38Å; R58-E100 IonicContact NH2-OE2 3.71Å; R58-E100 PolarHBondContact NH2-OE2 3.13Å; W82-E100 HydrophobicContact CH2-CB 3.67Å; W82-E100 HydrophobicContact CH2-CG 3.71Å; W82-E100 HydrophobicContact CZ2-CB 3.97Å; W82-E100 HydrophobicContact CZ2-CG 4.31Å; L96-E100 PolarHBondContact O-N 3.22Å; L97-E100 PolarHBondContact O-N 3.48Å; V98-E100 VanDerWaalsContact C-N 3.33Å; V98-E100 PolarHBondContact O-N 2.86Å; E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 PolarHBondContact O-N 2.83Å; E100-L103 PolarHBondContact O-N 3.12Å; E100-S104 PolarHBondContact O-N 3.02Å
101	Q	83.9	Confident	80.2	Confident	116 Å²	116	68.2 Å²	68.2	54%	0.542	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-36.7	177.3	-175	55.7	80	0	0	111.6	L97 V98 S104 I105	L97-Q101 WeakPolarHBondContact O-CB 3.34Å; L97-Q101 PolarHBondContact O-N 3.45Å; V98-Q101 CarbonylContact O-C 3.6Å; V98-Q101 PolarHBondContact O-N 2.97Å; Q101-S104 PolarHBondContact NE2-OG 2.8Å; Q101-S104 PolarHBondContact O-N 2.82Å; Q101-S104 PolarHBondContact O-OG 3.17Å; Q101-I105 PolarHBondContact O-N 3.29Å
102	F	82.3	Confident	80	Confident	54 Å²	54	67.1 Å²	67.1	24%	0.237	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-50.9	175.7	-178.3	-105.3	0	0	0	112	V98 L99 E100 S104 I105 L106 A125 V126 V129	V98-F102 WeakPolarHBondContact O-CB 3.28Å; V98-F102 PolarHBondContact O-N 3.01Å; L99-F102 PolarHBondContact O-N 2.89Å; E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 PolarHBondContact O-N 2.83Å; F102-S104 PolarHBondContact O-N 3.02Å; F102-I105 HydrophobicContact CD2-CD1 4.49Å; F102-I105 WeakPolarHBondContact O-CG1 3.2Å; F102-I105 PolarHBondContact O-N 3.19Å; F102-I105 VanDerWaalsContact O-N 3.09Å; F102-L106 HydrophobicContact CE1-CD1 4.34Å; F102-L106 HydrophobicContact CE1-CD2 4.34Å; F102-L106 HydrophobicContact CZ-CD2 4.18Å; F102-L106 PolarHBondContact O-N 3.36Å; F102-A125 HydrophobicContact CD1-CB 3.98Å; F102-A125 HydrophobicContact CE1-CB 3.88Å; F102-V126 HydrophobicContact CE1-CG2 4.05Å; F102-V126 HydrophobicContact CE2-CG2 4.1Å; F102-V126 HydrophobicContact CZ-CG2 3.6Å; F102-V129 HydrophobicContact CE1-CG2 4.43Å
103	L	79.8	Confident	80	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-31	177.1	-66.9	172.2	0	0	0	111.9	R58 L99 E100 I105 L106 R111 V114 A125	R58-L103 VanDerWaalsContact NH2-CD1 3.27Å; L99-L103 HydrophobicContact CD1-CD1 4.02Å; L99-L103 HydrophobicContact CD1-CG 4.1Å; L99-L103 HydrophobicContact CG-CD1 4.17Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 3Å; E100-L103 PolarHBondContact O-N 3.12Å; L103-I105 PolarHBondContact O-N 3.35Å; L103-L106 HydrophobicContact CD2-CD1 3.99Å; L103-R111 PolarHBondContact O-NE 2.86Å; L103-V114 HydrophobicContact CD2-CB 4.29Å; L103-V114 HydrophobicContact CD2-CG1 3.46Å; L103-V114 VanDerWaalsContact CD2-CG1 3.46Å; L103-A125 HydrophobicContact CD2-CB 4.45Å
104	S	78.4	Confident	79.7	Confident	50 Å²	50	64.3 Å²	64.3	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-72.3	-20.4	176.5	83.5	0	0	0	0	115.1	E100 Q101 F102 R111	E100-S104 PolarHBondContact O-N 3.02Å; Q101-S104 PolarHBondContact NE2-OG 2.8Å; Q101-S104 PolarHBondContact O-N 2.82Å; Q101-S104 PolarHBondContact O-OG 3.17Å; F102-S104 PolarHBondContact O-N 3.02Å; S104-R111 PolarHBondContact O-NH2 3.36Å
105	I	81.9	Confident	79.3	Confident	117 Å²	117	62.7 Å²	62.7	60%	0.6	33%	0.33	S	S	*	.	H	α-helix	trans	-96.2	-11	178.2	61.1	166.5	0	0	0	113.9	Q101 F102 L103	Q101-I105 PolarHBondContact O-N 3.29Å; F102-I105 HydrophobicContact CD2-CD1 4.49Å; F102-I105 WeakPolarHBondContact O-CG1 3.2Å; F102-I105 PolarHBondContact O-N 3.19Å; F102-I105 VanDerWaalsContact O-N 3.09Å; L103-I105 PolarHBondContact O-N 3.35Å
106	L	80.8	Confident	79	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.073	34%	0.34	C	S	.	.	S	Bend	trans	-64.7	138.2	175.2	-67.8	178.5	0	0	0	111.5	F102 L103 L110 R111 V114 V129	F102-L106 HydrophobicContact CE1-CD1 4.34Å; F102-L106 HydrophobicContact CE1-CD2 4.34Å; F102-L106 HydrophobicContact CZ-CD2 4.18Å; F102-L106 PolarHBondContact O-N 3.36Å; L103-L106 HydrophobicContact CD2-CD1 3.99Å; L106-L110 HydrophobicContact CB-CB 4.48Å; L106-R111 HydrophobicContact CB-CB 4.04Å; L106-R111 PolarHBondContact O-NE 2.97Å; L106-R111 VanDerWaalsContact O-NE 3.14Å; L106-R111 PolarHBondContact O-NH2 3.48Å; L106-V114 HydrophobicContact CD1-CB 4.17Å; L106-V114 HydrophobicContact CD1-CG1 4.37Å; L106-V114 HydrophobicContact CD1-CG2 3.89Å; L106-V129 HydrophobicContact CD1-CG2 4Å; L106-V129 HydrophobicContact CD2-CG2 4.01Å
107	P	77.1	Confident	78.5	Confident	80 Å²	80	67.4 Å²	67.4	52%	0.519	35%	0.354	S	S	.	.			trans	-52.7	151.7	168.1	-26.4	35.4	0	0	0	112.2	E109 L110 R111	P107-E109 PolarHBondContact O-N 3.5Å; P107-L110 HydrophobicContact CB-CD1 4.43Å; P107-L110 HydrophobicContact CG-CD1 4.1Å; P107-L110 PolarHBondContact O-N 3.4Å; P107-R111 WeakPolarHBondContact O-CB 3.43Å; P107-R111 PolarHBondContact O-N 3.27Å
108	G	75.5	Confident	77.9	Confident	50 Å²	50	69.2 Å²	69.2	52%	0.515	36%	0.361	S	S	.	.	H	α-helix	trans	-52.5	-49.2	-168.7	0	0	0	0	0	114.8	R111 T112	G108-R111 WeakPolarHBondContact O-CB 3.33Å; G108-R111 PolarHBondContact O-N 3.01Å; G108-T112 PolarHBondContact O-N 3.39Å; G108-T112 PolarHBondContact O-OG1 3.47Å
109	E	72.9	Confident	77.5	Confident	167 Å²	167	65.8 Å²	65.8	78%	0.78	34%	0.34	S	S	*	.	H	α-helix	trans	-60.8	-49.5	179.4	-67	143.3	-164.7	0	0	112.1	P107 R111 T112 W113	P107-E109 PolarHBondContact O-N 3.5Å; E109-R111 VanDerWaalsContact C-N 3.31Å; E109-R111 PolarHBondContact O-N 2.85Å; E109-T112 PolarHBondContact O-N 3.34Å; E109-W113 WeakPolarHBondContact O-CB 3.42Å; E109-W113 PolarHBondContact O-N 2.92Å
110	L	75.9	Confident	76.7	Confident	31 Å²	31	71.1 Å²	71.1	16%	0.162	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-40	175.1	-77.9	167.5	0	0	0	111.7	L106 P107 W113 V114 F132	L106-L110 HydrophobicContact CB-CB 4.48Å; P107-L110 HydrophobicContact CB-CD1 4.43Å; P107-L110 HydrophobicContact CG-CD1 4.1Å; P107-L110 PolarHBondContact O-N 3.4Å; L110-W113 PolarHBondContact O-N 2.95Å; L110-V114 WeakPolarHBondContact O-CB 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.47Å; L110-V114 PolarHBondContact O-N 2.83Å; L110-F132 HydrophobicContact CD2-CD1 3.4Å; L110-F132 HydrophobicContact CD2-CE1 3.72Å; L110-F132 HydrophobicContact CD2-CG 4.12Å; L110-F132 HydrophobicContact CG-CE1 4.49Å
111	R	78.6	Confident	76.4	Confident	86 Å²	86	71.6 Å²	71.6	33%	0.325	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-50	179.5	-173.5	-172.5	-50.7	-153.9	-4.5	111.4	L103 S104 L106 P107 G108 E109 W113 V114 Q115	L103-R111 PolarHBondContact O-NE 2.86Å; S104-R111 PolarHBondContact O-NH2 3.36Å; L106-R111 HydrophobicContact CB-CB 4.04Å; L106-R111 PolarHBondContact O-NE 2.97Å; L106-R111 VanDerWaalsContact O-NE 3.14Å; L106-R111 PolarHBondContact O-NH2 3.48Å; P107-R111 WeakPolarHBondContact O-CB 3.43Å; P107-R111 PolarHBondContact O-N 3.27Å; G108-R111 WeakPolarHBondContact O-CB 3.33Å; G108-R111 PolarHBondContact O-N 3.01Å; E109-R111 VanDerWaalsContact C-N 3.31Å; E109-R111 PolarHBondContact O-N 2.85Å; R111-W113 VanDerWaalsContact C-N 3.31Å; R111-W113 PolarHBondContact O-N 3.37Å; R111-V114 PolarHBondContact O-N 3.37Å; R111-Q115 VanDerWaalsContact O-CB 3.29Å; R111-Q115 WeakPolarHBondContact O-CB 3.38Å; R111-Q115 WeakPolarHBondContact O-CG 3.33Å; R111-Q115 PolarHBondContact O-N 3.2Å
112	T	75.1	Confident	75.9	Confident	98 Å²	98	66.7 Å²	66.7	60%	0.601	35%	0.353	S	S	*	.	H	α-helix	trans	-62	-40.4	178.3	-59	0	0	0	0	111.4	G108 E109 L116	G108-T112 PolarHBondContact O-N 3.39Å; G108-T112 PolarHBondContact O-OG1 3.47Å; E109-T112 PolarHBondContact O-N 3.34Å; T112-L116 PolarHBondContact O-N 2.84Å
113	W	73.6	Confident	75.8	Confident	68 Å²	68	70.2 Å²	70.2	26%	0.258	37%	0.37	S	S	.	.	H	α-helix	trans	-69.1	-45	178.5	-175.5	85.5	0	0	0	112.3	E109 L110 R111 Q115 L116 H117 V128 F132	E109-W113 WeakPolarHBondContact O-CB 3.42Å; E109-W113 PolarHBondContact O-N 2.92Å; L110-W113 PolarHBondContact O-N 2.95Å; R111-W113 VanDerWaalsContact C-N 3.31Å; R111-W113 PolarHBondContact O-N 3.37Å; W113-Q115 VanDerWaalsContact C-N 3.33Å; W113-Q115 PolarHBondContact O-N 3.34Å; W113-L116 WeakPolarHBondContact O-CB 3.13Å; W113-L116 PolarHBondContact O-N 3.47Å; W113-H117 AromaticContact CE2-CD2 3.92Å; W113-H117 AromaticContact CE2-NE2 3.71Å; W113-H117 AromaticContact CZ2-CD2 3.88Å; W113-H117 AromaticContact CZ2-NE2 3.52Å; W113-H117 AromaticContact NE1-NE2 3.99Å; W113-H117 PolarHBondContact O-CD2 2.87Å; W113-V128 HydrophobicContact CE3-CG1 3.98Å; W113-V128 HydrophobicContact CH2-CG1 3.68Å; W113-V128 VanDerWaalsContact CH2-O 3.3Å; W113-V128 WeakPolarHBondContact CH2-O 3.45Å; W113-V128 HydrophobicContact CZ3-CB 4.32Å; W113-V128 HydrophobicContact CZ3-CG1 3.23Å; W113-V128 WeakPolarHBondContact CZ3-O 3.32Å; W113-F132 HydrophobicContact CD2-CB 4.42Å; W113-F132 AromaticContact CD2-CD2 3.56Å; W113-F132 HydrophobicContact CD2-CD2 3.56Å; W113-F132 HydrophobicContact CD2-CE2 4.12Å; W113-F132 HydrophobicContact CD2-CG 4.26Å; W113-F132 AromaticContact CE2-CD2 3.64Å; W113-F132 HydrophobicContact CE3-CB 3.9Å; W113-F132 AromaticContact CE3-CD2 3.86Å; W113-F132 HydrophobicContact CE3-CD2 3.86Å; W113-F132 HydrophobicContact CE3-CG 4.09Å; W113-F132 AromaticContact CG-CD2 3.97Å; W113-F132 HydrophobicContact CG-CD2 3.97Å; W113-F132 HydrophobicContact CG-CE2 4.03Å; W113-F132 HydrophobicContact CH2-CB 3.74Å; W113-F132 HydrophobicContact CH2-CD2 4.32Å; W113-F132 HydrophobicContact CZ2-CB 4.26Å; W113-F132 HydrophobicContact CZ2-CD2 4.04Å; W113-F132 HydrophobicContact CZ3-CB 3.53Å; W113-F132 HydrophobicContact CZ3-CD2 4.21Å; W113-F132 HydrophobicContact CZ3-CG 4.21Å; W113-F132 AromaticContact NE1-CD2 4Å
114	V	78	Confident	75.8	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-63.6	-37.6	174.8	176.7	0	0	0	0	111.7	L103 L106 L110 R111 L116 H117 H118 P119 A125 V128 V129	L103-V114 HydrophobicContact CD2-CB 4.29Å; L103-V114 HydrophobicContact CD2-CG1 3.46Å; L103-V114 VanDerWaalsContact CD2-CG1 3.46Å; L106-V114 HydrophobicContact CD1-CB 4.17Å; L106-V114 HydrophobicContact CD1-CG1 4.37Å; L106-V114 HydrophobicContact CD1-CG2 3.89Å; L110-V114 WeakPolarHBondContact O-CB 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.47Å; L110-V114 PolarHBondContact O-N 2.83Å; R111-V114 PolarHBondContact O-N 3.37Å; V114-L116 VanDerWaalsContact C-N 3.26Å; V114-L116 PolarHBondContact O-N 3.31Å; V114-H117 PolarHBondContact O-N 2.97Å; V114-H117 VanDerWaalsContact O-N 3.08Å; V114-H118 PolarHBondContact O-N 3.35Å; V114-P119 HydrophobicContact CG1-CG 3.91Å; V114-P119 WeakPolarHBondContact O-CD 3.42Å; V114-A125 HydrophobicContact CG1-CB 4.33Å; V114-V128 HydrophobicContact CB-CG1 4.34Å; V114-V128 HydrophobicContact CG1-CG1 4.27Å; V114-V128 HydrophobicContact CG2-CG1 4.02Å; V114-V129 HydrophobicContact CG2-CG2 3.36Å
115	Q	72.3	Confident	75.9	Confident	70 Å²	70	70.5 Å²	70.5	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-33.5	175.8	-79.2	171.2	-25.1	0	0	112.6	R111 W113 H117 H118	R111-Q115 VanDerWaalsContact O-CB 3.29Å; R111-Q115 WeakPolarHBondContact O-CB 3.38Å; R111-Q115 WeakPolarHBondContact O-CG 3.33Å; R111-Q115 PolarHBondContact O-N 3.2Å; W113-Q115 VanDerWaalsContact C-N 3.33Å; W113-Q115 PolarHBondContact O-N 3.34Å; Q115-H117 PolarHBondContact O-N 3.28Å; Q115-H118 PolarHBondContact O-N 3.14Å; Q115-H118 PolarHBondContact O-ND1 3.43Å
116	L	74.4	Confident	75.9	Confident	126 Å²	126	67.7 Å²	67.7	66%	0.66	35%	0.354	S	S	*	.	H	α-helix	trans	-64.5	-27.8	175.5	-170.5	64.7	0	0	0	112.6	T112 W113 V114 H118	T112-L116 PolarHBondContact O-N 2.84Å; W113-L116 WeakPolarHBondContact O-CB 3.13Å; W113-L116 PolarHBondContact O-N 3.47Å; V114-L116 VanDerWaalsContact C-N 3.26Å; V114-L116 PolarHBondContact O-N 3.31Å; L116-H118 PolarHBondContact O-CE1 3.1Å; L116-H118 PolarHBondContact O-ND1 3.21Å
117	H	71.9	Confident	76	Confident	99 Å²	99	69.4 Å²	69.4	46%	0.458	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.9	179.6	-77.1	-82.5	0	0	0	114.6	W113 V114 Q115 V128	W113-H117 AromaticContact CE2-CD2 3.92Å; W113-H117 AromaticContact CE2-NE2 3.71Å; W113-H117 AromaticContact CZ2-CD2 3.88Å; W113-H117 AromaticContact CZ2-NE2 3.52Å; W113-H117 AromaticContact NE1-NE2 3.99Å; W113-H117 PolarHBondContact O-CD2 2.87Å; V114-H117 PolarHBondContact O-N 2.97Å; V114-H117 VanDerWaalsContact O-N 3.08Å; Q115-H117 PolarHBondContact O-N 3.28Å; H117-V128 HydrophobicContact CB-CG1 3.89Å; H117-V128 HydrophobicContact CB-CG2 4.14Å
118	H	72.5	Confident	76.4	Confident	111 Å²	111	66.8 Å²	66.8	51%	0.514	35%	0.352	S	S	.	.			trans	47.5	54.2	172.8	-58.8	79.5	0	0	0	115.3	V114 Q115 L116 E120	V114-H118 PolarHBondContact O-N 3.35Å; Q115-H118 PolarHBondContact O-N 3.14Å; Q115-H118 PolarHBondContact O-ND1 3.43Å; L116-H118 PolarHBondContact O-CE1 3.1Å; L116-H118 PolarHBondContact O-ND1 3.21Å; H118-E120 PolarHBondContact O-N 3.35Å
119	P	73.4	Confident	76.7	Confident	6 Å²	6	65 Å²	65	4%	0.039	33%	0.331	C	S	.	.			trans	-65.6	132.1	-177.3	27.9	-35.6	0	0	0	112.6	V114 E124 A125	V114-P119 HydrophobicContact CG1-CG 3.91Å; V114-P119 WeakPolarHBondContact O-CD 3.42Å; P119-E124 WeakPolarHBondContact CA-OE2 3.32Å; P119-E124 HydrophobicContact CB-CB 3.96Å; P119-E124 HydrophobicContact CB-CG 4.11Å; P119-A125 HydrophobicContact CB-CB 3.82Å; P119-A125 HydrophobicContact CG-CB 3.72Å
120	E	68.9	Low	77.1	Confident	114 Å²	114	61.5 Å²	61.5	53%	0.533	32%	0.315	S	S	.	.	S	Bend	trans	-87.6	-17.4	-179.8	-65.5	179.4	164.8	0	0	112.5	H118 E124	H118-E120 PolarHBondContact O-N 3.35Å; E120-E124 PolarHBondContact N-OE2 3.45Å
121	S	76.3	Confident	77.5	Confident	43 Å²	43	63 Å²	63	30%	0.301	32%	0.323	S	S	.	.	S	Bend	trans	-134.8	165.2	177.4	93.5	0	0	0	0	113.6	E123 E124 A125	S121-E123 VanDerWaalsContact C-N 3.29Å; S121-E123 WeakPolarHBondContact CB-OE2 3.16Å; S121-E123 PolarHBondContact O-N 3.22Å; S121-E123 PolarHBondContact OG-N 2.86Å; S121-E123 PolarHBondContact OG-OE2 3.41Å; S121-E124 PolarHBondContact O-N 3.05Å; S121-E124 PolarHBondContact OG-N 3.14Å; S121-A125 PolarHBondContact O-N 2.9Å
122	G	74.9	Confident	77.5	Confident	13 Å²	13	61.6 Å²	61.6	13%	0.134	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-39.7	174.5	0	0	0	0	0	112.7	A125 V126	G122-A125 PolarHBondContact O-N 2.99Å; G122-V126 WeakPolarHBondContact O-CG2 3.43Å; G122-V126 PolarHBondContact O-N 3.12Å
123	E	78.9	Confident	77.6	Confident	128 Å²	128	61.7 Å²	61.7	60%	0.598	31%	0.313	S	S	*	.	H	α-helix	trans	-66.3	-41.6	176.9	-55.8	75.5	-167.2	0	0	111.9	S121 A125 V126 A127	S121-E123 VanDerWaalsContact C-N 3.29Å; S121-E123 WeakPolarHBondContact CB-OE2 3.16Å; S121-E123 PolarHBondContact O-N 3.22Å; S121-E123 PolarHBondContact OG-N 2.86Å; S121-E123 PolarHBondContact OG-OE2 3.41Å; E123-A125 VanDerWaalsContact C-N 3.34Å; E123-V126 PolarHBondContact O-N 3.13Å; E123-A127 VanDerWaalsContact O-CB 3.28Å; E123-A127 WeakPolarHBondContact O-CB 3.11Å; E123-A127 PolarHBondContact O-N 3.25Å
124	E	79.9	Confident	77.6	Confident	60 Å²	60	64.5 Å²	64.5	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-40.5	176.1	-163.4	171.4	-139.8	0	0	110.4	K44 P119 E120 S121 A127 V128	K44-E124 IonicContact NZ-OE1 2.74Å; K44-E124 PolarHBondContact NZ-OE1 3.25Å; P119-E124 WeakPolarHBondContact CA-OE2 3.32Å; P119-E124 HydrophobicContact CB-CB 3.96Å; P119-E124 HydrophobicContact CB-CG 4.11Å; E120-E124 PolarHBondContact N-OE2 3.45Å; S121-E124 PolarHBondContact O-N 3.05Å; S121-E124 PolarHBondContact OG-N 3.14Å; E124-A127 PolarHBondContact O-N 2.93Å; E124-V128 WeakPolarHBondContact O-CB 3.47Å; E124-V128 WeakPolarHBondContact O-CG2 3.38Å; E124-V128 PolarHBondContact O-N 3.41Å
125	A	81	Confident	77.1	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-39.7	174.6	0	0	0	0	0	113.1	L99 F102 L103 V114 P119 S121 G122 E123 V129	L99-A125 HydrophobicContact CD1-CB 3.46Å; L99-A125 VanDerWaalsContact CD1-CB 3.46Å; F102-A125 HydrophobicContact CD1-CB 3.98Å; F102-A125 HydrophobicContact CE1-CB 3.88Å; L103-A125 HydrophobicContact CD2-CB 4.45Å; V114-A125 HydrophobicContact CG1-CB 4.33Å; P119-A125 HydrophobicContact CB-CB 3.82Å; P119-A125 HydrophobicContact CG-CB 3.72Å; S121-A125 PolarHBondContact O-N 2.9Å; G122-A125 PolarHBondContact O-N 2.99Å; E123-A125 VanDerWaalsContact C-N 3.34Å; A125-V129 VanDerWaalsContact O-CG2 3.29Å; A125-V129 WeakPolarHBondContact O-CG2 3.39Å; A125-V129 PolarHBondContact O-N 3.42Å
126	V	82.5	Confident	76.6	Confident	57 Å²	57	74.1 Å²	74.1	35%	0.345	37%	0.372	S	S	.	.	H	α-helix	trans	-67.5	-46.7	174.9	168.8	0	0	0	0	111.1	F102 G122 E123 V128 V129 E130	F102-V126 HydrophobicContact CE1-CG2 4.05Å; F102-V126 HydrophobicContact CE2-CG2 4.1Å; F102-V126 HydrophobicContact CZ-CG2 3.6Å; G122-V126 WeakPolarHBondContact O-CG2 3.43Å; G122-V126 PolarHBondContact O-N 3.12Å; E123-V126 PolarHBondContact O-N 3.13Å; V126-V128 VanDerWaalsContact C-N 3.27Å; V126-V128 PolarHBondContact O-N 3.1Å; V126-V129 PolarHBondContact O-N 3.44Å; V126-V129 VanDerWaalsContact O-N 3.14Å; V126-E130 HydrophobicContact CG1-CG 4.33Å; V126-E130 WeakPolarHBondContact O-CG 3.35Å; V126-E130 PolarHBondContact O-N 3.25Å
127	A	83.3	Confident	75.5	Confident	51 Å²	51	72.3 Å²	72.3	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-38.9	179.5	0	0	0	0	0	112	E123 E124 D131	E123-A127 VanDerWaalsContact O-CB 3.28Å; E123-A127 WeakPolarHBondContact O-CB 3.11Å; E123-A127 PolarHBondContact O-N 3.25Å; E124-A127 PolarHBondContact O-N 2.93Å; A127-D131 PolarHBondContact O-N 2.83Å; A127-D131 VanDerWaalsContact O-N 3.11Å
128	V	83.6	Confident	73.8	Confident	24 Å²	24	71 Å²	71	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-62.3	-54.7	171.5	168	0	0	0	0	110.1	W113 V114 H117 E124 V126 E130 D131 F132	W113-V128 HydrophobicContact CE3-CG1 3.98Å; W113-V128 HydrophobicContact CH2-CG1 3.68Å; W113-V128 VanDerWaalsContact CH2-O 3.3Å; W113-V128 WeakPolarHBondContact CH2-O 3.45Å; W113-V128 HydrophobicContact CZ3-CB 4.32Å; W113-V128 HydrophobicContact CZ3-CG1 3.23Å; W113-V128 WeakPolarHBondContact CZ3-O 3.32Å; V114-V128 HydrophobicContact CB-CG1 4.34Å; V114-V128 HydrophobicContact CG1-CG1 4.27Å; V114-V128 HydrophobicContact CG2-CG1 4.02Å; H117-V128 HydrophobicContact CB-CG1 3.89Å; H117-V128 HydrophobicContact CB-CG2 4.14Å; E124-V128 WeakPolarHBondContact O-CB 3.47Å; E124-V128 WeakPolarHBondContact O-CG2 3.38Å; E124-V128 PolarHBondContact O-N 3.41Å; V126-V128 VanDerWaalsContact C-N 3.27Å; V126-V128 PolarHBondContact O-N 3.1Å; V128-E130 VanDerWaalsContact C-N 3.31Å; V128-E130 PolarHBondContact O-N 3.47Å; V128-D131 PolarHBondContact O-N 3.28Å; V128-F132 PolarHBondContact O-N 3.22Å
129	V	81.8	Confident	72.7	Confident	12 Å²	12	72.2 Å²	72.2	7%	0.073	40%	0.401	C	S	.	.	H	α-helix	trans	-54.6	-43.1	177.4	168.2	0	0	0	0	112.9	F102 L106 V114 A125 V126 D131 Q133	F102-V129 HydrophobicContact CE1-CG2 4.43Å; L106-V129 HydrophobicContact CD1-CG2 4Å; L106-V129 HydrophobicContact CD2-CG2 4.01Å; V114-V129 HydrophobicContact CG2-CG2 3.36Å; A125-V129 VanDerWaalsContact O-CG2 3.29Å; A125-V129 WeakPolarHBondContact O-CG2 3.39Å; A125-V129 PolarHBondContact O-N 3.42Å; V126-V129 PolarHBondContact O-N 3.44Å; V126-V129 VanDerWaalsContact O-N 3.14Å; V129-D131 VanDerWaalsContact C-N 3.34Å; V129-Q133 VanDerWaalsContact CG1-NE2 3.33Å; V129-Q133 WeakPolarHBondContact O-CG 3.24Å; V129-Q133 PolarHBondContact O-N 2.67Å
130	E	83.3	Confident	70.8	Confident	94 Å²	94	81.3 Å²	81.3	44%	0.439	44%	0.443	S	S	.	.	H	α-helix	trans	-65	-37.6	177.8	-74.8	-170.3	179.5	0	0	112.4	V126 V128 F132 Q133 R134	V126-E130 HydrophobicContact CG1-CG 4.33Å; V126-E130 WeakPolarHBondContact O-CG 3.35Å; V126-E130 PolarHBondContact O-N 3.25Å; V128-E130 VanDerWaalsContact C-N 3.31Å; V128-E130 PolarHBondContact O-N 3.47Å; E130-F132 VanDerWaalsContact C-N 3.33Å; E130-F132 PolarHBondContact O-N 3.12Å; E130-Q133 CarbonylContact O-C 3.59Å; E130-Q133 WeakPolarHBondContact O-CB 3.34Å; E130-Q133 PolarHBondContact O-N 3.04Å; E130-Q133 VanDerWaalsContact O-N 3.11Å; E130-R134 WeakPolarHBondContact O-CG 3.42Å; E130-R134 PolarHBondContact O-N 3.47Å; E130-R134 IonicContact OE2-CZ 3.97Å; E130-R134 IonicContact OE2-NH2 3.84Å; E130-R134 PolarHBondContact OE2-NH2 3.47Å
131	D	82.4	Confident	69.1	Low	63 Å²	63	85 Å²	85	34%	0.337	46%	0.46	S	S	.	.	H	α-helix	trans	-66.6	-37.3	-179	-160.1	59.2	0	0	0	112.1	A127 V128 V129 Q133 R134 H135	A127-D131 PolarHBondContact O-N 2.83Å; A127-D131 VanDerWaalsContact O-N 3.11Å; V128-D131 PolarHBondContact O-N 3.28Å; V129-D131 VanDerWaalsContact C-N 3.34Å; D131-Q133 VanDerWaalsContact C-N 3.33Å; D131-Q133 PolarHBondContact O-N 2.91Å; D131-R134 PolarHBondContact O-N 3.09Å; D131-R134 IonicContact OD1-CZ 3.89Å; D131-R134 IonicContact OD1-NH1 2.75Å; D131-R134 PolarHBondContact OD1-NH1 3.19Å; D131-H135 PolarHBondContact O-N 3.03Å; D131-H135 PolarHBondContact O-ND1 2.99Å; D131-H135 IonicContact OD1-CE1 3.97Å; D131-H135 IonicContact OD2-CE1 3.13Å; D131-H135 PolarHBondContact OD2-CE1 3.37Å; D131-H135 IonicContact OD2-ND1 2.99Å; D131-H135 PolarHBondContact OD2-ND1 3.49Å
132	F	80.2	Confident	67.2	Low	57 Å²	57	89.4 Å²	89.4	25%	0.25	49%	0.485	C	S	.	.	H	α-helix	trans	-60.6	-41.3	169.2	-170.3	-96.4	0	0	0	112.2	L110 W113 V128 E130 R134 H135 L136	L110-F132 HydrophobicContact CD2-CD1 3.4Å; L110-F132 HydrophobicContact CD2-CE1 3.72Å; L110-F132 HydrophobicContact CD2-CG 4.12Å; L110-F132 HydrophobicContact CG-CE1 4.49Å; W113-F132 HydrophobicContact CD2-CB 4.42Å; W113-F132 AromaticContact CD2-CD2 3.56Å; W113-F132 HydrophobicContact CD2-CD2 3.56Å; W113-F132 HydrophobicContact CD2-CE2 4.12Å; W113-F132 HydrophobicContact CD2-CG 4.26Å; W113-F132 AromaticContact CE2-CD2 3.64Å; W113-F132 HydrophobicContact CE3-CB 3.9Å; W113-F132 AromaticContact CE3-CD2 3.86Å; W113-F132 HydrophobicContact CE3-CD2 3.86Å; W113-F132 HydrophobicContact CE3-CG 4.09Å; W113-F132 AromaticContact CG-CD2 3.97Å; W113-F132 HydrophobicContact CG-CD2 3.97Å; W113-F132 HydrophobicContact CG-CE2 4.03Å; W113-F132 HydrophobicContact CH2-CB 3.74Å; W113-F132 HydrophobicContact CH2-CD2 4.32Å; W113-F132 HydrophobicContact CZ2-CB 4.26Å; W113-F132 HydrophobicContact CZ2-CD2 4.04Å; W113-F132 HydrophobicContact CZ3-CB 3.53Å; W113-F132 HydrophobicContact CZ3-CD2 4.21Å; W113-F132 HydrophobicContact CZ3-CG 4.21Å; W113-F132 AromaticContact NE1-CD2 4Å; V128-F132 PolarHBondContact O-N 3.22Å; E130-F132 VanDerWaalsContact C-N 3.33Å; E130-F132 PolarHBondContact O-N 3.12Å; F132-R134 VanDerWaalsContact C-N 3.35Å; F132-H135 PolarHBondContact O-N 3.32Å; F132-L136 HydrophobicContact CD1-CD1 3.82Å; F132-L136 HydrophobicContact CD1-CG 4.48Å; F132-L136 HydrophobicContact CE1-CD1 3.62Å; F132-L136 HydrophobicContact CE1-CG 4.4Å; F132-L136 HydrophobicContact CZ-CD1 4.48Å; F132-L136 WeakPolarHBondContact O-CG 3.17Å; F132-L136 PolarHBondContact O-N 3.31Å; F132-L136 VanDerWaalsContact O-N 3.12Å
133	Q	76.2	Confident	65.1	Low	99 Å²	99	94.5 Å²	94.5	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-67.9	-33.3	177.2	-68.4	176.8	25.5	0	0	112.6	V129 E130 D131 L136 S137	V129-Q133 VanDerWaalsContact CG1-NE2 3.33Å; V129-Q133 WeakPolarHBondContact O-CG 3.24Å; V129-Q133 PolarHBondContact O-N 2.67Å; E130-Q133 CarbonylContact O-C 3.59Å; E130-Q133 WeakPolarHBondContact O-CB 3.34Å; E130-Q133 PolarHBondContact O-N 3.04Å; E130-Q133 VanDerWaalsContact O-N 3.11Å; D131-Q133 VanDerWaalsContact C-N 3.33Å; D131-Q133 PolarHBondContact O-N 2.91Å; Q133-L136 PolarHBondContact O-N 3.15Å; Q133-S137 WeakPolarHBondContact O-CB 3.49Å; Q133-S137 PolarHBondContact O-N 3.42Å; Q133-S137 PolarHBondContact O-OG 3.12Å
134	R	74.3	Confident	62.7	Low	127 Å²	127	92.8 Å²	92.8	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-43.8	171.5	-68.3	174.8	-134.5	128.8	-1.6	111.4	E130 D131 F132 L136 S137	E130-R134 WeakPolarHBondContact O-CG 3.42Å; E130-R134 PolarHBondContact O-N 3.47Å; E130-R134 IonicContact OE2-CZ 3.97Å; E130-R134 IonicContact OE2-NH2 3.84Å; E130-R134 PolarHBondContact OE2-NH2 3.47Å; D131-R134 PolarHBondContact O-N 3.09Å; D131-R134 IonicContact OD1-CZ 3.89Å; D131-R134 IonicContact OD1-NH1 2.75Å; D131-R134 PolarHBondContact OD1-NH1 3.19Å; F132-R134 VanDerWaalsContact C-N 3.35Å; R134-L136 PolarHBondContact O-N 3.2Å; R134-S137 PolarHBondContact O-N 3.27Å
135	H	66.7	Low	61	Low	146 Å²	146	96 Å²	96	68%	0.676	55%	0.552	S	S	*	*	H	α-helix	trans	-63.8	-24.7	176.2	-77.5	84.8	0	0	0	113.7	D131 F132 S137	D131-H135 PolarHBondContact O-N 3.03Å; D131-H135 PolarHBondContact O-ND1 2.99Å; D131-H135 IonicContact OD1-CE1 3.97Å; D131-H135 IonicContact OD2-CE1 3.13Å; D131-H135 PolarHBondContact OD2-CE1 3.37Å; D131-H135 IonicContact OD2-ND1 2.99Å; D131-H135 PolarHBondContact OD2-ND1 3.49Å; F132-H135 PolarHBondContact O-N 3.32Å; H135-S137 VanDerWaalsContact C-N 3.33Å
136	L	62.7	Low	58.3	Low	126 Å²	126	101 Å²	101	66%	0.66	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-6.5	171.3	-69.3	173.8	0	0	0	114.2	F132 Q133 R134	F132-L136 HydrophobicContact CD1-CD1 3.82Å; F132-L136 HydrophobicContact CD1-CG 4.48Å; F132-L136 HydrophobicContact CE1-CD1 3.62Å; F132-L136 HydrophobicContact CE1-CG 4.4Å; F132-L136 HydrophobicContact CZ-CD1 4.48Å; F132-L136 WeakPolarHBondContact O-CG 3.17Å; F132-L136 PolarHBondContact O-N 3.31Å; F132-L136 VanDerWaalsContact O-N 3.12Å; Q133-L136 PolarHBondContact O-N 3.15Å; R134-L136 PolarHBondContact O-N 3.2Å
137	S	51.2	Low	55.8	Low	89 Å²	89	107 Å²	107	62%	0.622	62%	0.618	S	S	*	*			trans	-121.2	75.6	-169.9	-56.3	0	0	0	0	111.6	Q133 R134 H135	Q133-S137 WeakPolarHBondContact O-CB 3.49Å; Q133-S137 PolarHBondContact O-N 3.42Å; Q133-S137 PolarHBondContact O-OG 3.12Å; R134-S137 PolarHBondContact O-N 3.27Å; H135-S137 VanDerWaalsContact C-N 3.33Å
138	G	36.7	Very low	53.1	Low	71 Å²	71	113.2 Å²	113.2	73%	0.732	64%	0.635	S	S	*	*			trans	-62.8	155.7	177.6	0	0	0	0	0	114
139	P	48.1	Very low	50.5	Low	136 Å²	136	120.5 Å²	120.5	88%	0.883	67%	0.668	S	S	*	*			trans	-83.6	145.9	-171.9	33.5	-35.6	0	0	0	113.8
140	E	33.6	Very low	47.9	Very low	197 Å²	197	128.7 Å²	128.7	92%	0.921	70%	0.702	S	S	*	*			trans	-132.9	163.5	166	-119.9	-176.1	-173.6	0	0	110.9
141	E	33.7	Very low	45.2	Very low	191 Å²	191	131.8 Å²	131.8	89%	0.893	72%	0.719	S	S	*	*			trans	-92.1	162.5	-148.2	-69.3	-163.1	121.2	0	0	118.9
142	V	36.8	Very low	42.5	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	74%	0.737	S	S	*	*			trans	-45.8	138.7	171.5	175.9	0	0	0	0	115.2
143	S	31.1	Very low	40	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	76%	0.759	S	S	*	*			trans	-155.6	150	138.3	38.1	0	0	0	0	112.2
144	A	26.6	Very low	37.9	Very low	93 Å²	93	142.3 Å²	142.3	77%	0.769	77%	0.77	S	S	*	*			trans	-106.6	162.3	-163.9	0	0	0	0	0	113.8
145	P	44.8	Very low	35.8	Very low	128 Å²	128	143 Å²	143	83%	0.831	78%	0.783	S	S	*	*			trans	-98.1	166.9	-165	38.5	-36.7	0	0	0	115.4
146	A	25.1	Very low	33.8	Very low	105 Å²	105	142.9 Å²	142.9	87%	0.868	79%	0.793	S	S	*	*			trans	-111	150	170.3	0	0	0	0	0	112.4
147	Q	30.2	Very low	32.3	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	80%	0.802	S	S	*	*			trans	-114.1	154.4	-171.8	-56.7	169	-54.4	0	0	113.8
148	K	26.8	Very low	31	Very low	183 Å²	183	141.7 Å²	141.7	80%	0.796	81%	0.807	S	S	*	*			trans	-179.2	122.9	134	-95.6	150.7	-175.3	-178.9	0	108.5
149	Q	28.5	Very low	30.7	Very low	176 Å²	176	146.9 Å²	146.9	82%	0.822	82%	0.817	S	S	*	*				67.8	143.1	73.9	-71.6	-178.8	-26.9	0	0	114.5
150	K	27.8	Very low	29.7	Very low	184 Å²	184	144.1 Å²	144.1	80%	0.8	81%	0.813	S	S	*	*			cis	-171.1	168.4	-39.3	-155.8	-169	171.2	-172.5	0	107.2
151	M	26.6	Very low	29.4	Very low	160 Å²	160	138.9 Å²	138.9	79%	0.788	80%	0.804	S	S	*	*			trans	76.8	154.9	159.5	-66.3	174.7	64.1	0	0	118.3
152	H	25.8	Very low	29	Very low	157 Å²	157	135.7 Å²	135.7	73%	0.727	80%	0.797	S	S	*	*			cis	-156	176.6	-35.1	-157.8	-100.6	0	0	0	110
153	L	27.2	Very low	28.6	Very low	133 Å²	133	137.6 Å²	137.6	70%	0.696	79%	0.794	S	S	*	*			trans	-93.8	178.8	-174.5	-157.2	68.3	0	0	0	113.7
154	E	31.1	Very low	28.3	Very low	149 Å²	149	139 Å²	139	70%	0.696	79%	0.788	S	S	*	*			trans	84.8	145.4	157.5	-76.4	157.9	-148.3	0	0	117.9
155	D	29.8	Very low	28.3	Very low	142 Å²	142	139.7 Å²	139.7	76%	0.759	79%	0.787	S	S	*	*			cis	-166.1	175.9	-14.9	-135.8	9.1	0	0	0	111.6
156	T	25.9	Very low	28.4	Very low	144 Å²	144	139.2 Å²	139.2	88%	0.883	78%	0.784	S	S	*	*			trans	173.6	156	134.4	26.8	0	0	0	0	114.8
157	A	30	Very low	29.5	Very low	103 Å²	103	139 Å²	139	85%	0.851	77%	0.773	S	S	*	*			trans	-150.7	167.3	-173.6	0	0	0	0	0	115
158	A	25.6	Very low	29.3	Very low	87 Å²	87	136 Å²	136	72%	0.719	77%	0.768	S	S	*	*			trans	-156.5	128.8	165.5	0	0	0	0	0	108.8
159	L	29.9	Very low	29.3	Very low	179 Å²	179	132.3 Å²	132.3	94%	0.937	77%	0.765	S	S	*	*				66.5	129.1	68.9	-62.4	174.6	0	0	0	113.5
160	G	26.3	Very low	30.3	Very low	78 Å²	78	129.3 Å²	129.3	80%	0.804	76%	0.761	S	S	*	*			cis	-162.2	-154.7	-0.5	0	0	0	0	0	110.1
161	A	28.1	Very low	30.2	Very low	88 Å²	88	128.5 Å²	128.5	73%	0.727	77%	0.765	S	S	*	*			cis	-166.8	171	-2.4	0	0	0	0	0	111.5
162	T	24.9	Very low	30.2	Very low	124 Å²	124	126.5 Å²	126.5	76%	0.761	77%	0.766	S	S	*	*			trans	61.6	121.7	160.3	45	0	0	0	0	119.7
163	K	28.2	Very low	30.1	Very low	176 Å²	176	122.9 Å²	122.9	77%	0.765	77%	0.771	S	S	*	*				78	142.3	66.9	-78.2	-172.7	165.4	-138.6	0	113.6
164	E	24.6	Very low	30	Very low	148 Å²	148	120 Å²	120	69%	0.692	77%	0.774	S	S	*	*			cis	-148.7	-159.2	3.6	-140.9	155	-130.6	0	0	112.8
165	S	27.3	Very low	29.8	Very low	108 Å²	108	119.2 Å²	119.2	76%	0.755	79%	0.785	S	S	*	*			trans	-109.2	-130.6	-150.8	-56.5	0	0	0	0	119.1
166	P	45.9	Very low	29.8	Very low	118 Å²	118	117 Å²	117	77%	0.766	79%	0.786	S	S	*	*				-123.7	-142.4	-122.6	42.4	-20.8	0	0	0	112.4
167	P	49.6	Very low	30.6	Very low	100 Å²	100	116.4 Å²	116.4	65%	0.649	79%	0.785	S	S	*	*			cis	-140.7	176.9	-16	36.4	-14.4	0	0	0	118.1
168	T	26.6	Very low	30.5	Very low	120 Å²	120	114.9 Å²	114.9	74%	0.736	78%	0.778	S	S	*	*			trans	63.4	119.6	143.7	45.1	0	0	0	0	125.6
169	S	26	Very low	30.6	Very low	105 Å²	105	114.6 Å²	114.6	73%	0.734	78%	0.776	S	S	*	*				81.7	179.1	125.5	-50.9	0	0	0	0	119.6
170	P	48.9	Very low	30.5	Very low	112 Å²	112	113.8 Å²	113.8	73%	0.727	77%	0.767	S	S	*	*				-136	-171.3	-85.8	41.2	-22.9	0	0	0	116
171	L	25.5	Very low	30.5	Very low	168 Å²	168	118.5 Å²	118.5	88%	0.88	77%	0.769	S	S	*	*			trans	110.3	157	159.9	-67.5	166.4	0	0	0	120.1
172	S	27.1	Very low	30.5	Very low	118 Å²	118	118.7 Å²	118.7	83%	0.825	77%	0.77	S	S	*	*			trans	-76.9	159.3	-159.7	-44.9	0	0	0	0	118.8
173	G	24.4	Very low	31.7	Very low	81 Å²	81	118.4 Å²	118.4	84%	0.835	77%	0.77	S	S	*	*				119.1	139.8	127.5	0	0	0	0	0	117.5
174	G	24.2	Very low	32.8	Very low	72 Å²	72	114.3 Å²	114.3	74%	0.742	76%	0.762	S	S	*	*			trans	164.5	53.3	172.7	0	0	0	0	0	121.3
175	S	26.2	Very low	32.9	Very low	133 Å²	133	118 Å²	118	93%	0.93	77%	0.771	S	S	*	*			trans	64.9	167.8	149.7	-60.4	0	0	0	0	121.9
176	A	30.7	Very low	32.9	Very low	94 Å²	94	120 Å²	120	78%	0.777	77%	0.773	S	S	*	*			trans	-116.8	-147.7	-176.7	0	0	0	0	0	110.5
177	P	42	Very low	32.6	Very low	133 Å²	133	120 Å²	120	86%	0.864	77%	0.773	S	S	*	*			cis	-142.7	-175	22.9	44.2	-23.1	0	0	0	118
178	G	27.9	Very low	31.4	Very low	70 Å²	70	119 Å²	119	72%	0.722	78%	0.78	S	S	*	*			trans	137.4	103.5	171.7	0	0	0	0	0	111.3
179	A	28.4	Very low	31.4	Very low	81 Å²	81	119.1 Å²	119.1	67%	0.669	78%	0.781	S	S	*	*			cis	69.1	126.2	23.9	0	0	0	0	0	112.9
180	H	27.3	Very low	31.4	Very low	162 Å²	162	121.3 Å²	121.3	75%	0.75	78%	0.78	S	S	*	*			cis	-145.9	167.9	11.9	-61.9	-108.6	0	0	0	109.3
181	Q	26.9	Very low	30.4	Very low	178 Å²	178	123.9 Å²	123.9	83%	0.832	78%	0.781	S	S	*	*			cis	-160.9	-163.4	-17.8	-108.5	176.8	-104.7	0	0	108.5
182	A	27.1	Very low	30.5	Very low	92 Å²	92	123 Å²	123	76%	0.76	78%	0.777	S	S	*	*			trans	-140.9	-144.3	-175.5	0	0	0	0	0	115.5
183	P	51.6	Low	30.8	Very low	117 Å²	117	123.2 Å²	123.2	76%	0.76	78%	0.776	S	S	*	*			trans	-96.4	-146.8	-130.1	48.8	-34.4	0	0	0	112.4
184	P	51.6	Low	30.8	Very low	91 Å²	91	126.9 Å²	126.9	59%	0.591	78%	0.776	S	S	*	*			cis	-99	-142.9	12.9	-2.9	30	0	0	0	115.7
185	Y	25.6	Very low	30.7	Very low	224 Å²	224	127 Å²	127	88%	0.878	78%	0.778	S	S	*	*			cis	-153.1	178.1	18.1	-50.6	-96.6	0	0	0	115.9
186	D	26.4	Very low	30.6	Very low	152 Å²	152	127.8 Å²	127.8	81%	0.813	77%	0.771	S	S	*	*			trans	-90.8	-171.8	172.9	-114.8	-45.5	0	0	0	113.2
187	P	40.7	Very low	30.3	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	78%	0.776	S	S	*	*			cis	-132.2	-173.3	-29	38.8	-21.8	0	0	0	113
188	G	25.1	Very low	29.5	Very low	77 Å²	77	130.4 Å²	130.4	79%	0.794	77%	0.767	S	S	*	*			trans	166.5	103.4	161.4	0	0	0	0	0	121.6
189	T	25.1	Very low	29.5	Very low	124 Å²	124	135.8 Å²	135.8	76%	0.761	77%	0.773	S	S	*	*			trans	-47.4	147.3	166	-37.2	0	0	0	0	116.8
190	H	27.2	Very low	29.2	Very low	150 Å²	150	138.1 Å²	138.1	69%	0.694	78%	0.783	S	S	*	*				165.3	148.3	118.9	-97.1	-85.7	0	0	0	118.4
191	H	27	Very low	29.2	Very low	166 Å²	166	135.1 Å²	135.1	77%	0.769	79%	0.787	S	S	*	*			trans	64.1	114.3	155.3	-69.9	-60.5	0	0	0	124.2
192	L	27.2	Very low	29.2	Very low	151 Å²	151	132 Å²	132	79%	0.791	78%	0.784	S	S	*	*			trans	-70.9	159.2	140	-72.1	164.4	0	0	0	110.5
193	P	33.3	Very low	29.3	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	79%	0.785	S	S	*	*				-136.8	167.5	102.5	39.2	-30.2	0	0	0	115.1
194	N	25.3	Very low	28.1	Very low	158 Å²	158	134.2 Å²	134.2	85%	0.845	79%	0.788	S	S	*	*			trans	-76.5	160.4	170.1	-58.2	-49.3	0	0	0	111.6
195	G	22.6	Very low	27.1	Very low	75 Å²	75	135.7 Å²	135.7	77%	0.773	80%	0.798	S	S	*	*			trans	-179.9	116.9	164.5	0	0	0	0	0	114
196	D	24.3	Very low	27.1	Very low	148 Å²	148	131 Å²	131	79%	0.791	79%	0.793	S	S	*	*			trans	-67.2	154.2	167.8	-54.3	-97.3	0	0	0	111.5
197	F	23.6	Very low	27	Very low	202 Å²	202	131.5 Å²	131.5	89%	0.886	79%	0.794	S	S	*	*				-172.3	-177.1	98.9	-116.1	-85.6	0	0	0	114.5
198	A	24.5	Very low	26.6	Very low	80 Å²	80	131.7 Å²	131.7	66%	0.661	80%	0.795	S	S	*	*			trans	-86.3	175.5	-161.4	0	0	0	0	0	115.5	C200	A198-C200 PolarHBondContact O-N 3.12Å
199	Q	28.5	Very low	26.8	Very low	183 Å²	183	137.1 Å²	137.1	86%	0.855	80%	0.8	S	S	*	*			trans	-53.1	124.8	170.1	-60.2	162.8	7.4	0	0	111.6
200	C	22.6	Very low	26.8	Very low	130 Å²	130	138.6 Å²	138.6	88%	0.878	81%	0.809	S	S	*	*			trans	-85.3	127.3	157	-74.1	0	0	0	0	109.4	A198	A198-C200 PolarHBondContact O-N 3.12Å
201	A	26.1	Very low	26.7	Very low	100 Å²	100	134.7 Å²	134.7	83%	0.826	81%	0.809	S	S	*	*			trans	-113.1	131.8	166.1	0	0	0	0	0	108.2
202	S	27.1	Very low	26.6	Very low	112 Å²	112	135 Å²	135	78%	0.783	82%	0.816	S	S	*	*			trans	-139.1	159	-175.5	-88.2	0	0	0	0	110.3
203	P	30.6	Very low	26.6	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-93.7	156.8	-133	-11.7	29.7	0	0	0	116.6
204	V	26.5	Very low	26.2	Very low	134 Å²	134	130.9 Å²	130.9	81%	0.812	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87.1	128.9	164.6	178.9	0	0	0	0	109.2
205	P	29.8	Very low	26.1	Very low	122 Å²	122	131.3 Å²	131.3	79%	0.792	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.2	161.8	172.6	-17.1	32	0	0	0	113.6
206	T	24.9	Very low	26.1	Very low	127 Å²	127	139.5 Å²	139.5	78%	0.779	82%	0.824	S	S	*	*			trans	-122.1	156.7	-177.6	-45.8	0	0	0	0	111.3
207	L	25.5	Very low	26	Very low	162 Å²	162	140.5 Å²	140.5	85%	0.848	83%	0.826	S	S	*	*			trans	95.3	155.4	170.8	-60.1	160.1	0	0	0	116.1
208	P	32.2	Very low	26.1	Very low	121 Å²	121	138 Å²	138	79%	0.786	83%	0.827	S	S	*	*			cis	-120.6	-172	-4.7	38.1	-22.3	0	0	0	114.4
209	Q	29.1	Very low	26.1	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	84%	0.836	S	S	*	*			trans	-89.1	135.6	177.7	-66.6	-177.7	-6	0	0	114.2
210	V	25	Very low	26.5	Very low	156 Å²	156	141.2 Å²	141.2	95%	0.945	83%	0.827	S	S	*	*			trans	-154.2	147	147.5	-175.8	0	0	0	0	105.5
211	G	24	Very low	26.5	Very low	68 Å²	68	143.5 Å²	143.5	70%	0.701	83%	0.825	S	S	*	*			cis	-169.7	163	-6.1	0	0	0	0	0	108.1
212	N	25.7	Very low	26.4	Very low	171 Å²	171	145.2 Å²	145.2	91%	0.914	82%	0.82	S	S	*	*			trans	-97.1	130	-165.4	-177.8	25.5	0	0	0	114.5
213	S	27.1	Very low	26.2	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	82%	0.822	S	S	*	*			trans	-162	127.7	165.7	59.1	0	0	0	0	115.6
214	G	24	Very low	25.8	Very low	75 Å²	75	147.8 Å²	147.8	77%	0.773	83%	0.829	S	S	*	*				95.3	60.1	127	0	0	0	0	0	120.9
215	L	24.3	Very low	25.7	Very low	167 Å²	167	145.4 Å²	145.4	87%	0.874	82%	0.823	S	S	*	*			trans	-9.4	133.9	153.3	-64.4	165	0	0	0	119.2
216	R	23.4	Very low	25.3	Very low	248 Å²	248	149.2 Å²	149.2	94%	0.936	82%	0.823	S	S	*	*				-148.3	141.7	122.4	-152.4	170.8	-171.2	176.4	3	111.5
217	M	22	Very low	25.3	Very low	168 Å²	168	146.4 Å²	146.4	83%	0.828	80%	0.801	S	S	*	*			trans	-107.3	138.6	-179.2	-67	-131.5	-67.6	0	0	112.2
218	V	24.5	Very low	25.4	Very low	149 Å²	149	143.5 Å²	143.5	90%	0.903	79%	0.787	S	S	*	*			trans	-142	139.2	157.1	-175.8	0	0	0	0	108
219	R	25.2	Very low	24.9	Very low	230 Å²	230	140.3 Å²	140.3	87%	0.868	76%	0.762	S	S	*	*			trans	-165.5	163.6	-175.5	-141.3	-162.3	168.7	-166.4	-5.1	108.8
220	P	36.6	Very low	24.6	Very low	102 Å²	102	137.5 Å²	137.5	66%	0.662	76%	0.762	S	S	*	*				-127	164	-69.1	38.4	-26.5	0	0	0	113.4
221	Q	23.5	Very low	24.6	Very low	177 Å²	177	134.4 Å²	134.4	83%	0.827	74%	0.744	S	S	*	*			trans	-152.4	146	147.7	-74.3	-165.6	-30.8	0	0	107.5
222	D	23.7	Very low	24.6	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	75%	0.75	S	S	*	*			cis	-147.9	168.5	-14.9	-100.5	-30.3	0	0	0	110.4
223	T	22.7	Very low	24.5	Very low	134 Å²	134	140.8 Å²	140.8	82%	0.822	75%	0.747	S	S	*	*			trans	-101.6	134.5	-172	52.1	0	0	0	0	114.6
224	V	23	Very low	24.4	Very low	153 Å²	153	141.7 Å²	141.7	93%	0.927	75%	0.748	S	S	*	*			trans	-138.1	145.3	153.3	-166.2	0	0	0	0	108.5
225	A	24.1	Very low	24.5	Very low	84 Å²	84	145.7 Å²	145.7	69%	0.694	75%	0.747	S	S	*	*			trans	-136.9	147.7	-177.6	0	0	0	0	0	111.6
226	Y	21.3	Very low	24.5	Very low	201 Å²	201	147 Å²	147	79%	0.788	75%	0.745	S	S	*	*			trans	-157.8	168.5	150.6	-155	-107	0	0	0	112.5
227	E	25.2	Very low	24.5	Very low	69 Å²	69	144.3 Å²	144.3	32%	0.322	74%	0.74	S	S	.	*			trans	-104.4	164.2	-174.5	-50.1	-163.7	125.1	0	0	109.5	I644 Q647	E227-I644 HydrophobicContact CB-CD1 3.98Å; E227-I644 HydrophobicContact CG-CD1 3.89Å; E227-I644 WeakPolarHBondContact OE1-CD1 3.46Å; E227-I644 WeakPolarHBondContact OE2-CG2 3.3Å; E227-Q647 PolarHBondContact OE1-NE2 3.49Å
228	D	26.1	Very low	24.6	Very low	101 Å²	101	147.5 Å²	147.5	54%	0.54	74%	0.743	S	S	.	*				-171.9	159.7	65.6	-104.5	-46	0	0	0	106
229	L	23.5	Very low	24.7	Very low	53 Å²	53	149.6 Å²	149.6	28%	0.277	74%	0.74	S	S	.	*				62.1	86.4	52.4	-98.9	-171.6	0	0	0	115.7	V231 I644	L229-V231 HydrophobicContact CD2-CG2 4.03Å; L229-I644 HydrophobicContact CB-CG1 4.47Å; L229-I644 HydrophobicContact CD1-CB 3.64Å; L229-I644 HydrophobicContact CD1-CG1 3.69Å; L229-I644 HydrophobicContact CD1-CG2 3.9Å; L229-I644 HydrophobicContact CG-CB 4.42Å; L229-I644 HydrophobicContact CG-CG1 3.92Å
230	C	21.9	Very low	24.7	Very low	132 Å²	132	144.5 Å²	144.5	89%	0.892	74%	0.738	S	S	*	*			trans	-100.8	133.4	157.9	-164.7	0	0	0	0	109.2
231	V	24.5	Very low	24.2	Very low	92 Å²	92	145.4 Å²	145.4	56%	0.558	74%	0.744	S	S	*	*			trans	-127.6	136.3	178.7	177.5	0	0	0	0	108.9	L229 Y233	L229-V231 HydrophobicContact CD2-CG2 4.03Å; V231-Y233 PolarHBondContact O-N 3.3Å
232	D	24.2	Very low	24.5	Very low	154 Å²	154	141.7 Å²	141.7	82%	0.824	74%	0.744	S	S	*	*			trans	-60.4	127.5	-175.7	-61.6	-82.1	0	0	0	113.4
233	Y	23	Very low	24.6	Very low	219 Å²	219	143.4 Å²	143.4	86%	0.859	75%	0.752	S	S	*	*			trans	-97.6	100.7	168.8	-132.6	-91.1	0	0	0	110.7	V231	V231-Y233 PolarHBondContact O-N 3.3Å
234	T	26	Very low	25.2	Very low	131 Å²	131	143 Å²	143	80%	0.804	76%	0.755	S	S	*	*			trans	-80.4	122	170.5	57.2	0	0	0	0	110.1
235	Q	26.4	Very low	25.5	Very low	159 Å²	159	145 Å²	145	74%	0.743	75%	0.754	S	S	*	*			trans	-126.4	127.6	170.6	-152.9	173.4	24	0	0	112
236	K	23.8	Very low	25.6	Very low	195 Å²	195	151.2 Å²	151.2	85%	0.848	76%	0.76	S	S	*	*			trans	-91.9	133.5	175	-73.2	175.2	177.7	170.9	0	109.9
237	K	23.8	Very low	26	Very low	190 Å²	190	146.4 Å²	146.4	83%	0.826	76%	0.761	S	S	*	*			trans	60.6	89.2	135.9	-166.7	-176.7	-175.3	-179.3	0	117.5
238	W	23.9	Very low	26.3	Very low	235 Å²	235	151.4 Å²	151.4	89%	0.89	79%	0.789	S	S	*	*			trans	-116.7	154.7	151.3	-77.1	86.2	0	0	0	110.3
239	K	25.5	Very low	26.5	Very low	194 Å²	194	155.2 Å²	155.2	84%	0.843	80%	0.804	S	S	*	*			trans	-104.1	139.4	-178.6	-74.9	-175.8	175.9	-176.8	0	110.9
240	C	25.6	Very low	26.6	Very low	122 Å²	122	163.3 Å²	163.3	82%	0.824	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-86.2	151.3	168.7	-44.4	0	0	0	0	111.6
241	P	26.4	Very low	26.9	Very low	121 Å²	121	164.8 Å²	164.8	79%	0.786	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-85	158.3	134.1	-15.2	32	0	0	0	110.4
242	A	29	Very low	26.8	Very low	99 Å²	99	168.4 Å²	168.4	82%	0.818	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-81.5	143	-177.6	0	0	0	0	0	112.7
243	L	27.4	Very low	26.9	Very low	174 Å²	174	167.6 Å²	167.6	91%	0.911	84%	0.836	S	S	*	*			trans	-129.7	116.4	162.4	-75.7	178.1	0	0	0	110.3	Q245	L243-Q245 PolarHBondContact O-N 3.46Å
244	S	33.5	Very low	27.4	Very low	125 Å²	125	162.8 Å²	162.8	87%	0.874	83%	0.831	S	S	*	*			trans	-94.2	76.3	-178.8	54.9	0	0	0	0	111.6
245	Q	29.3	Very low	27.3	Very low	195 Å²	195	161.9 Å²	161.9	91%	0.911	82%	0.818	S	S	*	*			trans	-147	82.2	170.1	-97.9	174.9	7.3	0	0	110.1	L243	L243-Q245 PolarHBondContact O-N 3.46Å
246	R	28	Very low	27.3	Very low	215 Å²	215	161.6 Å²	161.6	81%	0.811	82%	0.822	S	S	*	*			trans	-138	62.3	-175.8	-153.5	179.5	-165.8	156.3	3.6	111.8	E569	R246-E569 IonicContact CZ-OE1 3.76Å; R246-E569 IonicContact NH2-OE1 3.19Å; R246-E569 PolarHBondContact NH2-OE1 3.36Å
247	A	29.8	Very low	27.7	Very low	100 Å²	100	160.1 Å²	160.1	83%	0.826	82%	0.823	S	S	*	*	S	Bend	trans	-152.2	23.4	-174.4	0	0	0	0	0	115.6
248	L	31.1	Very low	27.8	Very low	174 Å²	174	161.3 Å²	161.3	91%	0.911	82%	0.822	S	S	*	*	S	Bend	trans	-146.1	24.2	-172.5	-119.6	-178	0	0	0	118.2
249	Q	28.8	Very low	27.9	Very low	181 Å²	181	155.8 Å²	155.8	85%	0.846	82%	0.82	S	S	*	*			trans	-145.7	74.5	178.2	-163	167.9	15.9	0	0	114
250	W	26.8	Very low	27.9	Very low	223 Å²	223	155.8 Å²	155.8	85%	0.845	83%	0.825	S	S	*	*	S	Bend	trans	-146.7	21.8	170.9	-134	-82	0	0	0	116.4
251	N	27.5	Very low	27.9	Very low	162 Å²	162	154.7 Å²	154.7	87%	0.866	82%	0.824	S	S	*	*			trans	-145.4	92.4	176.2	-77.3	-51.4	0	0	0	112.3
252	M	23	Very low	27.9	Very low	168 Å²	168	154.6 Å²	154.6	83%	0.828	83%	0.827	S	S	*	*			trans	-153.3	152.9	152.2	-77.4	-153.1	93.2	0	0	110
253	M	26.6	Very low	27.8	Very low	137 Å²	137	158.5 Å²	158.5	68%	0.675	83%	0.833	S	S	*	*			trans	70.7	144.8	-176.8	-54.8	-57.9	124.7	0	0	115.2
254	P	33.1	Very low	27.7	Very low	118 Å²	118	155.4 Å²	155.4	77%	0.766	83%	0.832	S	S	*	*			cis	-68.5	160.8	10.4	33.2	-39	0	0	0	113.4
255	E	24.7	Very low	27.4	Very low	112 Å²	112	153 Å²	153	52%	0.523	83%	0.828	S	S	.	*			cis	-142.5	143.4	42.5	-69.4	151.2	-157.7	0	0	113.7	K439	E255-K439 IonicContact OE1-NZ 3.31Å; E255-K439 PolarHBondContact OE1-NZ 3.18Å; E255-K439 WeakPolarHBondContact OE2-CE 3.48Å; E255-K439 IonicContact OE2-NZ 3.9Å; E255-K439 PolarHBondContact OE2-NZ 3.15Å
256	N	26.1	Very low	27.3	Very low	154 Å²	154	152.6 Å²	152.6	82%	0.824	83%	0.826	S	S	*	*			trans	-140.9	82	148.6	-173.5	28.6	0	0	0	109.3
257	D	31.8	Very low	27.2	Very low	164 Å²	164	149.5 Å²	149.5	88%	0.877	83%	0.825	S	S	*	*			trans	-137.7	51.3	176.7	-92.2	-48.8	0	0	0	108.8
258	R	25.5	Very low	27	Very low	214 Å²	214	152 Å²	152	81%	0.808	82%	0.822	S	S	*	*			trans	-152.9	71.6	178.5	-160.2	-177.7	-177.2	-170.1	-3.3	115.3
259	S	25.9	Very low	26.8	Very low	120 Å²	120	152 Å²	152	84%	0.839	82%	0.819	S	S	*	*			trans	-172.8	110.7	142.2	-84.5	0	0	0	0	111.4
260	M	26.8	Very low	26.6	Very low	194 Å²	194	153.7 Å²	153.7	96%	0.956	82%	0.824	S	S	*	*			trans	-175.9	71.6	148.9	-95.4	-48.6	-90.1	0	0	107.9
261	A	24.9	Very low	26.4	Very low	98 Å²	98	146.4 Å²	146.4	81%	0.81	82%	0.818	S	S	*	*			trans	-166.4	58.1	177.7	0	0	0	0	0	112.7
262	S	26.6	Very low	26.4	Very low	119 Å²	119	145.1 Å²	145.1	83%	0.832	82%	0.822	S	S	*	*			trans	-159.3	150.2	165.1	-87.8	0	0	0	0	109.2
263	L	27.5	Very low	26.5	Very low	181 Å²	181	145.4 Å²	145.4	95%	0.948	82%	0.821	S	S	*	*			trans	75.5	51.3	-174	-54.9	179.3	0	0	0	116.4
264	A	25.2	Very low	26.4	Very low	109 Å²	109	146.3 Å²	146.3	90%	0.901	83%	0.828	S	S	*	*			trans	-113	94.8	143.8	0	0	0	0	0	107.2
265	G	25.6	Very low	25.8	Very low	76 Å²	76	147 Å²	147	78%	0.784	83%	0.83	S	S	*	*			trans	-147.9	67.6	-172.7	0	0	0	0	0	110.4
266	E	27.9	Very low	26.5	Very low	186 Å²	186	146.7 Å²	146.7	87%	0.869	84%	0.838	S	S	*	*			trans	-80.7	133.8	177.8	-62.7	-172.9	131	0	0	111.2
267	N	25.8	Very low	26.4	Very low	150 Å²	150	148 Å²	148	80%	0.802	84%	0.836	S	S	*	*			trans	-163.2	146.2	140.9	-115.7	-52.1	0	0	0	113.6
268	M	25.3	Very low	26	Very low	152 Å²	152	147.8 Å²	147.8	75%	0.749	83%	0.83	S	S	*	*			trans	65.2	96.5	158.5	-61.6	-85.2	80.2	0	0	120.4
269	M	26.8	Very low	25.9	Very low	174 Å²	174	144.1 Å²	144.1	86%	0.857	82%	0.822	S	S	*	*			trans	13	125.5	136.5	-67.3	-169.1	176.7	0	0	120.4
270	K	26.1	Very low	25.8	Very low	216 Å²	216	145.4 Å²	145.4	94%	0.939	82%	0.818	S	S	*	*				-158.9	145.8	109.3	-114.3	174.2	-179.2	177.1	0	110.5
271	G	22.3	Very low	25.6	Very low	71 Å²	71	144.9 Å²	144.9	73%	0.732	81%	0.811	S	S	*	*			trans	-112	155.2	177	0	0	0	0	0	112.2
272	S	26.4	Very low	25.5	Very low	134 Å²	134	149.5 Å²	149.5	94%	0.937	81%	0.812	S	S	*	*			trans	-155.3	136.7	157.7	-86.2	0	0	0	0	110
273	E	24.5	Very low	25.3	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	81%	0.81	S	S	*	*			trans	-76.2	175.7	-165	-159.1	169.6	-133.4	0	0	115.7
274	L	24.8	Very low	25.2	Very low	155 Å²	155	144 Å²	144	81%	0.812	80%	0.801	S	S	*	*			trans	94.5	146.8	159.3	-55.3	175.8	0	0	0	121.6
275	T	20.8	Very low	25.1	Very low	133 Å²	133	147.9 Å²	147.9	82%	0.816	80%	0.801	S	S	*	*			trans	-140.5	-167.1	-176.1	60.2	0	0	0	0	108.2
276	P	39.6	Very low	25.1	Very low	105 Å²	105	149 Å²	149	68%	0.682	80%	0.797	S	S	*	*			cis	-125.6	178.3	-49.1	33.1	-16.2	0	0	0	112.9
277	K	23.4	Very low	25.1	Very low	182 Å²	182	145.5 Å²	145.5	79%	0.791	79%	0.793	S	S	*	*			trans	169.9	147.6	143.2	-90.8	152.3	-172.9	176.7	0	109.7
278	Q	23.6	Very low	25	Very low	159 Å²	159	145.7 Å²	145.7	74%	0.743	79%	0.794	S	S	*	*				60.7	134.3	60.9	-93.1	-178.9	-49.8	0	0	112.9
279	E	24.3	Very low	25.1	Very low	138 Å²	138	147.5 Å²	147.5	65%	0.645	80%	0.797	S	S	*	*			cis	-168.1	-178.2	1.1	-150.9	172.2	-114.2	0	0	110.1
280	I	24	Very low	24.9	Very low	147 Å²	147	145.3 Å²	145.3	75%	0.754	79%	0.794	S	S	*	*			trans	70.8	159	157.4	-67.7	159.7	0	0	0	117.3
281	F	21.2	Very low	24.9	Very low	183 Å²	183	140.6 Å²	140.6	80%	0.803	79%	0.788	S	S	*	*			cis	-174.5	170.9	-43.5	-158.8	-103.4	0	0	0	109
282	K	24.5	Very low	24.9	Very low	194 Å²	194	141 Å²	141	84%	0.843	79%	0.792	S	S	*	*			trans	74.5	152.4	175.1	-48.2	179.9	-178.1	179.2	0	117.2
283	G	22	Very low	24.7	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	79%	0.786	S	S	*	*			cis	136.6	113.8	-16.6	0	0	0	0	0	116.8
284	S	26	Very low	24.7	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	79%	0.785	S	S	*	*			trans	-165.8	121.6	164.2	53.3	0	0	0	0	108.1
285	E	22.9	Very low	24.7	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	79%	0.787	S	S	*	*				61.2	137.4	73.3	-66.5	-165.6	151.2	0	0	114.9
286	S	25	Very low	24.8	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	79%	0.785	S	S	*	*			cis	-160.1	165.7	-22.7	69.1	0	0	0	0	109.2
287	S	27.8	Very low	24.1	Very low	112 Å²	112	140.3 Å²	140.3	78%	0.783	80%	0.796	S	S	*	*				169.6	166.8	101.4	49.6	0	0	0	0	111.8
288	N	24	Very low	24.1	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	80%	0.798	S	S	*	*			trans	-118	148.4	-159.6	-65.2	-56.3	0	0	0	116.7
289	K	26.4	Very low	24.7	Very low	191 Å²	191	136.4 Å²	136.4	83%	0.83	80%	0.8	S	S	*	*				176	119.5	122.7	-93.6	159.9	-177	179	0	110.4
290	T	23	Very low	24.5	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	81%	0.81	S	S	*	*				66.5	121.1	79.7	-50.5	0	0	0	0	112
291	S	25.5	Very low	24.4	Very low	116 Å²	116	130.7 Å²	130.7	81%	0.811	82%	0.815	S	S	*	*			cis	-160.5	164.7	6.3	44.2	0	0	0	0	109.1
292	G	22.6	Very low	24.5	Very low	80 Å²	80	126.5 Å²	126.5	83%	0.825	81%	0.813	S	S	*	*			cis	165.3	161.7	-0.2	0	0	0	0	0	109.7
293	G	23	Very low	24.6	Very low	77 Å²	77	124 Å²	124	79%	0.794	81%	0.805	S	S	*	*			trans	165.2	125.4	178.1	0	0	0	0	0	115.8
294	L	24.6	Very low	24.7	Very low	154 Å²	154	127.2 Å²	127.2	81%	0.806	81%	0.809	S	S	*	*			trans	-26.4	140.1	-178	-77.5	77.5	0	0	0	120.9
295	F	25.3	Very low	24.7	Very low	197 Å²	197	124.3 Å²	124.3	86%	0.864	80%	0.796	S	S	*	*			trans	21.7	137.4	147.7	-53.3	-89.4	0	0	0	121
296	G	22.8	Very low	24.9	Very low	74 Å²	74	120.8 Å²	120.8	76%	0.763	78%	0.784	S	S	*	*			cis	129	100.9	2.4	0	0	0	0	0	113
297	M	23.4	Very low	24.9	Very low	186 Å²	186	121.1 Å²	121.1	92%	0.916	78%	0.781	S	S	*	*			trans	-150.6	168.6	178.7	-95.5	-170.3	159.7	0	0	111
298	V	23.8	Very low	24.8	Very low	137 Å²	137	117.7 Å²	117.7	83%	0.83	76%	0.757	S	S	*	*			trans	76.9	149.2	175.3	-176.5	0	0	0	0	113.6
299	P	36.4	Very low	24.9	Very low	122 Å²	122	119.1 Å²	119.1	79%	0.792	76%	0.759	S	S	*	*			cis	-127.2	178.9	-2	24	-0.1	0	0	0	117.3
300	G	20.5	Very low	24.9	Very low	83 Å²	83	116.4 Å²	116.4	86%	0.856	75%	0.753	S	S	*	*			trans	95.2	145.8	160.5	0	0	0	0	0	115.5
301	G	22.1	Very low	24.9	Very low	82 Å²	82	116.6 Å²	116.6	85%	0.845	75%	0.754	S	S	*	*			cis	131.1	135.3	6.9	0	0	0	0	0	109.9
302	A	23.4	Very low	24.9	Very low	94 Å²	94	116.5 Å²	116.5	78%	0.777	75%	0.754	S	S	*	*			cis	-156.2	160.7	1.2	0	0	0	0	0	112.9
303	E	26	Very low	25	Very low	141 Å²	141	122.5 Å²	122.5	66%	0.659	76%	0.757	S	S	*	*			trans	36.2	132.3	155.5	-64	-168	-133.4	0	0	125	K542	E303-K542 WeakPolarHBondContact OE2-CD 3.43Å; E303-K542 IonicContact OE2-NZ 3.12Å; E303-K542 PolarHBondContact OE2-NZ 3.42Å
304	T	24.6	Very low	25.1	Very low	145 Å²	145	127 Å²	127	89%	0.89	76%	0.757	S	S	*	*			trans	-125.5	161.5	141.7	54.8	0	0	0	0	110.3
305	G	26.2	Very low	25.1	Very low	47 Å²	47	128.1 Å²	128.1	49%	0.485	76%	0.763	S	S	.	*			trans	-111	134.4	-170.2	0	0	0	0	0	115.2	V307	G305-V307 PolarHBondContact O-N 2.85Å
306	D	26.4	Very low	25	Very low	117 Å²	117	127.7 Å²	127.7	63%	0.626	76%	0.764	S	S	*	*			trans	-83.6	102.4	179.7	-173.3	1.3	0	0	0	111.6
307	V	24.8	Very low	24.9	Very low	107 Å²	107	127.9 Å²	127.9	65%	0.648	77%	0.766	S	S	*	*			trans	-92.6	116.3	-179.3	178.5	0	0	0	0	110.6	G305 E309	G305-V307 PolarHBondContact O-N 2.85Å; V307-E309 PolarHBondContact O-N 3.32Å
308	C	26.2	Very low	24.8	Very low	40 Å²	40	127 Å²	127	27%	0.27	76%	0.759	S	S	.	*			trans	-84.2	107.1	174.2	-60.7	0	0	0	0	111.4	R561	C308-R561 PolarHBondContact SG-NH2 3.24Å
309	E	26.5	Very low	24.7	Very low	184 Å²	184	126.8 Å²	126.8	86%	0.86	76%	0.759	S	S	*	*			trans	-61	148.4	164.9	-62.6	-173.9	127.3	0	0	111.6	V307	V307-E309 PolarHBondContact O-N 3.32Å
310	D	26.3	Very low	24	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	75%	0.75	S	S	*	*			trans	-136.7	110.2	173.9	-153.2	-18.7	0	0	0	106.6	S312	D310-S312 PolarHBondContact O-N 3.21Å; D310-S312 VanDerWaalsContact O-N 3.11Å
311	T	22.3	Very low	24.1	Very low	132 Å²	132	128.4 Å²	128.4	81%	0.81	75%	0.748	S	S	*	*			trans	-82.8	96.3	-162	48.9	0	0	0	0	112.7
312	S	26.6	Very low	24.1	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	75%	0.745	S	S	*	*			trans	-91.2	135.7	160.6	-62.4	0	0	0	0	110	D310	D310-S312 PolarHBondContact O-N 3.21Å; D310-S312 VanDerWaalsContact O-N 3.11Å
313	K	24.7	Very low	24	Very low	206 Å²	206	137.1 Å²	137.1	90%	0.896	75%	0.75	S	S	*	*			trans	-81.5	133.1	175.4	-60.1	176.2	-178.4	178.2	0	109.4
314	E	25.1	Very low	23.8	Very low	171 Å²	171	134.3 Å²	134.3	80%	0.799	76%	0.759	S	S	*	*			trans	-112.9	145.1	160.8	-72.4	179.4	144	0	0	108.5
315	L	24.7	Very low	23.7	Very low	178 Å²	178	133.2 Å²	133.2	93%	0.932	76%	0.757	S	S	*	*			trans	-117	125	169.9	-79.1	168	0	0	0	105.9
316	E	21.5	Very low	23.6	Very low	189 Å²	189	140.8 Å²	140.8	88%	0.883	78%	0.777	S	S	*	*			trans	-85.4	144.4	-179.7	-64.7	-172.6	139.6	0	0	111.7
317	G	22.5	Very low	23.5	Very low	77 Å²	77	142.2 Å²	142.2	79%	0.794	78%	0.784	S	S	*	*			trans	-144.5	136	166.2	0	0	0	0	0	107.9
318	Q	21.3	Very low	23.4	Very low	168 Å²	168	145 Å²	145	79%	0.785	79%	0.79	S	S	*	*			trans	-107.1	174.6	-166.1	-66.6	-178	-28.6	0	0	113.2
319	T	21.2	Very low	23.5	Very low	133 Å²	133	150.8 Å²	150.8	82%	0.816	82%	0.818	S	S	*	*			trans	76.5	145.2	166.4	71.4	0	0	0	0	117.2
320	S	21	Very low	23.4	Very low	87 Å²	87	149.5 Å²	149.5	61%	0.608	82%	0.817	S	S	*	*			cis	-174.4	141.2	-24	48.7	0	0	0	0	109.8
321	D	22.1	Very low	23.3	Very low	152 Å²	152	152.6 Å²	152.6	81%	0.813	83%	0.825	S	S	*	*			trans	61.3	158.8	153.4	-46.3	-20.3	0	0	0	117.7
322	E	22.6	Very low	23.6	Very low	170 Å²	170	153.3 Å²	153.3	79%	0.794	82%	0.822	S	S	*	*			cis	-156.1	-177.3	-16.2	-117.8	-80.2	-172.9	0	0	107.9
323	E	22.4	Very low	23.5	Very low	189 Å²	189	156.1 Å²	156.1	88%	0.883	82%	0.823	S	S	*	*			trans	65.1	148	174.3	-61.1	-159.2	129.2	0	0	117.5
324	G	21.7	Very low	23.6	Very low	82 Å²	82	152.6 Å²	152.6	85%	0.845	81%	0.813	S	S	*	*			trans	-143.2	156.3	-171.8	0	0	0	0	0	114
325	S	22.7	Very low	23.9	Very low	121 Å²	121	148.6 Å²	148.6	85%	0.846	80%	0.8	S	S	*	*			trans	-134.3	128.8	176.3	60.9	0	0	0	0	112.1
326	K	23.8	Very low	24.3	Very low	206 Å²	206	145 Å²	145	90%	0.896	78%	0.782	S	S	*	*			trans	-61.3	130	169.1	168	-169.9	176.7	-174.8	0	111.4
327	L	22.8	Very low	24.8	Very low	147 Å²	147	141.5 Å²	141.5	77%	0.77	77%	0.765	S	S	*	*			trans	176.7	120.8	154.2	-92	163.6	0	0	0	105.2
328	E	22.5	Very low	25.2	Very low	167 Å²	167	143.4 Å²	143.4	78%	0.78	76%	0.757	S	S	*	*				92.8	148.6	78.6	-163.5	146.6	-113.7	0	0	112.6	D330	E328-D330 PolarHBondContact O-N 2.92Å; E328-D330 VanDerWaalsContact O-N 3.17Å
329	N	29	Very low	25.7	Very low	161 Å²	161	140.9 Å²	140.9	86%	0.861	74%	0.744	S	S	*	*			trans	-92.1	69.4	-154.6	-75.3	-58.6	0	0	0	114.9	F331	N329-F331 PolarHBondContact O-N 3.43Å
330	D	24.1	Very low	26.3	Very low	156 Å²	156	140 Å²	140	83%	0.834	73%	0.729	S	S	*	*			trans	-76.2	92.7	175.3	-80.6	-11.4	0	0	0	113	E328 L332	E328-D330 PolarHBondContact O-N 2.92Å; E328-D330 VanDerWaalsContact O-N 3.17Å; D330-L332 PolarHBondContact O-N 3.21Å
331	F	24.4	Very low	26.7	Very low	199 Å²	199	144.2 Å²	144.2	87%	0.873	74%	0.736	S	S	*	*			trans	-75.9	101.8	167.8	-164.5	-85.6	0	0	0	109.2	N329 E333	N329-F331 PolarHBondContact O-N 3.43Å; F331-E333 PolarHBondContact O-N 3.36Å
332	L	28.3	Very low	27	Very low	146 Å²	146	141.4 Å²	141.4	76%	0.764	73%	0.728	S	S	*	*			trans	-54.9	107.4	-173.9	-75.3	173.8	0	0	0	113.2	D330 I334	D330-L332 PolarHBondContact O-N 3.21Å; L332-I334 PolarHBondContact O-N 2.94Å
333	E	26	Very low	27.4	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.813	72%	0.721	S	S	*	*			trans	-68.6	126.2	169.8	-66.2	-159.2	125.8	0	0	110.9	F331 T335	F331-E333 PolarHBondContact O-N 3.36Å; E333-T335 PolarHBondContact O-N 3.15Å; E333-T335 VanDerWaalsContact O-N 3.1Å
334	I	26.6	Very low	27.8	Very low	132 Å²	132	137.8 Å²	137.8	68%	0.677	72%	0.716	S	S	*	*			trans	-77.4	97.4	167.3	-57.8	174	0	0	0	107.4	L332	L332-I334 PolarHBondContact O-N 2.94Å
335	T	30.8	Very low	28.1	Very low	86 Å²	86	141.4 Å²	141.4	53%	0.528	72%	0.716	S	S	.	*			trans	-54.8	150.1	178.7	73.4	0	0	0	0	111.7	E333 E337 D338	E333-T335 PolarHBondContact O-N 3.15Å; E333-T335 VanDerWaalsContact O-N 3.1Å; T335-E337 PolarHBondContact O-N 2.96Å; T335-E337 VanDerWaalsContact O-N 3.13Å; T335-D338 PolarHBondContact O-N 2.91Å
336	D	33.1	Very low	28.6	Very low	103 Å²	103	145.9 Å²	145.9	55%	0.551	71%	0.714	S	S	*	*	H	α-helix	trans	-72	-3	-173.9	-98.8	-37.4	0	0	0	114.8	K339	D336-K339 WeakPolarHBondContact OD1-CD 3.31Å; D336-K339 WeakPolarHBondContact OD1-CE 3.49Å; D336-K339 IonicContact OD1-NZ 3.14Å; D336-K339 PolarHBondContact OD1-NZ 3.37Å
337	E	31.4	Very low	28.9	Very low	116 Å²	116	146.1 Å²	146.1	54%	0.542	71%	0.711	S	S	.	*	H	α-helix	trans	-73.2	-40.6	174.2	-70.3	-53.2	124.3	0	0	113	T335 K339 K340 K341	T335-E337 PolarHBondContact O-N 2.96Å; T335-E337 VanDerWaalsContact O-N 3.13Å; E337-K339 PolarHBondContact O-N 3.45Å; E337-K340 WeakPolarHBondContact O-CB 3.46Å; E337-K340 PolarHBondContact O-N 2.82Å; E337-K340 WeakPolarHBondContact OE1-CE 3.35Å; E337-K340 IonicContact OE1-NZ 3.45Å; E337-K340 PolarHBondContact OE1-NZ 3.09Å; E337-K340 IonicContact OE2-NZ 3.28Å; E337-K341 PolarHBondContact O-N 3.47Å
338	D	32	Very low	29.4	Very low	116 Å²	116	147.1 Å²	147.1	62%	0.62	72%	0.717	S	S	*	*	H	α-helix	trans	-65.5	-23.6	178.6	-80.4	-43.5	0	0	0	112.6	T335	T335-D338 PolarHBondContact O-N 2.91Å
339	K	32	Very low	29.8	Very low	116 Å²	116	148.1 Å²	148.1	50%	0.504	72%	0.719	S	S	.	*	H	α-helix	trans	-69.9	-31.3	170.5	-62.5	-163.4	-166.5	77.1	0	112.6	D336 E337	D336-K339 WeakPolarHBondContact OD1-CD 3.31Å; D336-K339 WeakPolarHBondContact OD1-CE 3.49Å; D336-K339 IonicContact OD1-NZ 3.14Å; D336-K339 PolarHBondContact OD1-NZ 3.37Å; E337-K339 PolarHBondContact O-N 3.45Å
340	K	32.6	Very low	29.8	Very low	114 Å²	114	151 Å²	151	50%	0.496	72%	0.719	S	S	.	*	H	α-helix	trans	-73.7	-40.7	-175.2	-67.6	171.6	-169.9	173.3	0	111.8	E337 S342 T343	E337-K340 WeakPolarHBondContact O-CB 3.46Å; E337-K340 PolarHBondContact O-N 2.82Å; E337-K340 WeakPolarHBondContact OE1-CE 3.35Å; E337-K340 IonicContact OE1-NZ 3.45Å; E337-K340 PolarHBondContact OE1-NZ 3.09Å; E337-K340 IonicContact OE2-NZ 3.28Å; K340-S342 VanDerWaalsContact C-N 3.28Å; K340-S342 PolarHBondContact O-N 3.45Å; K340-T343 PolarHBondContact O-N 3.37Å; K340-T343 PolarHBondContact O-OG1 3.44Å
341	K	30.2	Very low	30.3	Very low	175 Å²	175	153.2 Å²	153.2	76%	0.761	72%	0.721	S	S	*	*	H	α-helix	trans	-61.3	-34.8	-179.2	-154.2	169.7	-173.7	177.2	0	112.6	E337 T343	E337-K341 PolarHBondContact O-N 3.47Å; K341-T343 PolarHBondContact O-N 3.05Å
342	S	29	Very low	30.7	Very low	93 Å²	93	152.6 Å²	152.6	65%	0.65	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-2.6	174.8	-174.9	0	0	0	0	115.1	K340	K340-S342 VanDerWaalsContact C-N 3.28Å; K340-S342 PolarHBondContact O-N 3.45Å
343	T	30.8	Very low	30.7	Very low	104 Å²	104	152.9 Å²	152.9	64%	0.638	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	-2.3	-172.9	52.8	0	0	0	0	115.6	K340 K341	K340-T343 PolarHBondContact O-N 3.37Å; K340-T343 PolarHBondContact O-OG1 3.44Å; K341-T343 PolarHBondContact O-N 3.05Å
344	K	30.3	Very low	30.8	Very low	180 Å²	180	148.5 Å²	148.5	78%	0.783	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-39.9	179.3	-157.3	166.6	-176.6	178.4	0	113.7	R346	K344-R346 PolarHBondContact O-N 2.61Å
345	D	28.7	Very low	30.9	Very low	157 Å²	157	150.6 Å²	150.6	84%	0.84	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	35.1	-178.3	-55.1	-27.1	0	0	0	113.4
346	R	31.9	Very low	30.8	Very low	216 Å²	216	154.8 Å²	154.8	82%	0.815	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	21	-176.6	-151.3	-176.5	174.7	163.7	0.7	113.5	K344	K344-R346 PolarHBondContact O-N 2.61Å
347	Y	30.8	Very low	30.4	Very low	211 Å²	211	157.8 Å²	157.8	83%	0.827	77%	0.765	S	S	*	*	S	Bend	trans	-143	43.2	-179.4	-153	-97.5	0	0	0	113.5
348	D	32.6	Very low	30.2	Very low	167 Å²	167	160.7 Å²	160.7	89%	0.893	78%	0.778	S	S	*	*	S	Bend	trans	-161.7	56.2	165.6	-98.1	-34	0	0	0	113.5
349	K	31.3	Very low	29.9	Very low	189 Å²	189	163.4 Å²	163.4	82%	0.822	79%	0.792	S	S	*	*	S	Bend	trans	-158.8	41.1	163.9	-147	-173.7	176.3	-179.8	0	117.2
350	Y	28.2	Very low	29.7	Very low	221 Å²	221	163.1 Å²	163.1	87%	0.867	81%	0.805	S	S	*	*			trans	-144.9	75.8	166.7	-74.6	-67	0	0	0	111.7
351	K	34.7	Very low	29.6	Very low	203 Å²	203	163.5 Å²	163.5	88%	0.883	82%	0.821	S	S	*	*	S	Bend	trans	-145.9	45.7	168	-159	-153.2	172.1	-169.9	0	112.3
352	E	33.7	Very low	29.4	Very low	185 Å²	185	159.9 Å²	159.9	86%	0.864	82%	0.818	S	S	*	*			trans	-158.5	160.8	166.5	-116.5	159.6	-149.1	0	0	109.5
353	V	28.1	Very low	29.6	Very low	153 Å²	153	162 Å²	162	93%	0.927	83%	0.83	S	S	*	*			trans	70.2	85	-161.2	-166.7	0	0	0	0	112.7
354	G	28.9	Very low	29.8	Very low	81 Å²	81	160.3 Å²	160.3	84%	0.835	83%	0.826	S	S	*	*			trans	-160	33.7	-179.9	0	0	0	0	0	113.9
355	E	28.5	Very low	29.9	Very low	176 Å²	176	160.8 Å²	160.8	82%	0.822	83%	0.831	S	S	*	*			trans	-128.9	151.3	-178.6	-64.2	-169.5	144	0	0	111.5
356	H	27.3	Very low	30.1	Very low	174 Å²	174	161.5 Å²	161.5	81%	0.806	83%	0.829	S	S	*	*			trans	58.4	114.5	-168.6	-59.9	-92.1	0	0	0	113.6
357	L	26	Very low	30.3	Very low	166 Å²	166	161.3 Å²	161.3	87%	0.869	84%	0.837	S	S	*	*			cis	-128.6	137.9	43.8	-73.4	160.7	0	0	0	113.9
358	H	26.8	Very low	30.8	Very low	178 Å²	178	153.4 Å²	153.4	82%	0.824	82%	0.82	S	S	*	*			trans	-77.8	133.5	162.4	-98.4	-112.6	0	0	0	110.7
359	L	25.6	Very low	31.4	Very low	173 Å²	173	152.2 Å²	152.2	91%	0.906	82%	0.819	S	S	*	*			trans	-133.5	141.3	141.6	-101.6	111.1	0	0	0	108.7
360	S	28.8	Very low	31.9	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	82%	0.819	S	S	*	*			trans	-92.9	128.1	-163.8	51	0	0	0	0	113.4
361	S	29.1	Very low	32.6	Very low	121 Å²	121	150.8 Å²	150.8	85%	0.846	82%	0.824	S	S	*	*			trans	-144.1	141.6	154	-73.3	0	0	0	0	108.6
362	S	27.2	Very low	33.3	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	82%	0.817	S	S	*	*			trans	-73.8	136.4	-171.8	-170.7	0	0	0	0	111.8	A364	S362-A364 PolarHBondContact O-N 2.81Å
363	P	31.7	Very low	34.1	Very low	138 Å²	138	142.2 Å²	142.2	90%	0.896	81%	0.806	S	S	*	*	S	Bend	trans	-81.5	62.7	170.1	35.6	-34.9	0	0	0	110.7
364	A	34.8	Very low	35.5	Very low	68 Å²	68	142.3 Å²	142.3	56%	0.562	79%	0.794	S	S	*	*			trans	-131.3	152.5	170.2	0	0	0	0	0	109.1	S362	S362-A364 PolarHBondContact O-N 2.81Å
365	E	33.5	Very low	37.4	Very low	190 Å²	190	142.8 Å²	142.8	89%	0.888	79%	0.785	S	S	*	*	S	Bend	trans	64.2	51.5	175.8	-58.2	-175	-164.5	0	0	116.4
366	H	31.8	Very low	39.7	Very low	173 Å²	173	138 Å²	138	80%	0.801	76%	0.76	S	S	*	*			trans	-144.4	28.1	141.7	-134.3	-73.3	0	0	0	115.8	G368	H366-G368 PolarHBondContact O-N 3.22Å
367	E	36	Very low	41.9	Very low	211 Å²	211	137.7 Å²	137.7	99%	0.986	75%	0.751	S	S	*	*			trans	-71	80.5	158.9	-85.6	-134.7	118.5	0	0	109.7
368	G	42	Very low	44.6	Very low	45 Å²	45	129.8 Å²	129.8	46%	0.464	71%	0.71	S	S	.	*			trans	-154.3	118.2	-179.8	0	0	0	0	0	111.8	H366	H366-G368 PolarHBondContact O-N 3.22Å
369	V	45.7	Very low	47	Very low	143 Å²	143	127.9 Å²	127.9	87%	0.867	71%	0.706	S	S	*	*	S	Bend	trans	59.2	75.8	165.9	-163.7	0	0	0	0	116.7
370	L	42.5	Very low	49.3	Very low	157 Å²	157	126.5 Å²	126.5	82%	0.822	70%	0.695	S	S	*	*			trans	-154.6	44.4	143.2	-92	-158.3	0	0	0	113.2	G372	L370-G372 PolarHBondContact O-N 2.91Å
371	K	41.8	Very low	51.7	Low	222 Å²	222	123.7 Å²	123.7	97%	0.965	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	95.1	170.4	-77.8	-179.6	177	171.1	0	110.4
372	G	48.9	Very low	54	Low	72 Å²	72	120 Å²	120	74%	0.742	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	179	-24.5	173.8	0	0	0	0	0	118.9	L370 K374	L370-G372 PolarHBondContact O-N 2.91Å; G372-K374 PolarHBondContact O-N 3.07Å
373	Q	51.8	Low	56.4	Low	137 Å²	137	121.2 Å²	121.2	64%	0.64	65%	0.649	S	S	*	*			trans	-77.5	109.1	-177.5	-71.9	-166.9	8.3	0	0	112.6	S375	Q373-S375 PolarHBondContact O-N 3.25Å
374	K	57.1	Low	58.3	Low	155 Å²	155	118.7 Å²	118.7	67%	0.674	63%	0.631	S	S	*	*			trans	-61.3	117.1	162.3	-72.3	-178.5	178	177	0	108.9	G372 Y376	G372-K374 PolarHBondContact O-N 3.07Å; K374-Y376 HydrophobicContact CB-CE2 3.84Å; K374-Y376 WeakPolarHBondContact O-CD2 3.48Å; K374-Y376 WeakPolarHBondContact O-CE2 3.32Å
375	S	67.8	Low	60.7	Low	91 Å²	91	117.7 Å²	117.7	64%	0.636	61%	0.614	S	S	*	*			trans	-92.8	139.9	169.9	67.4	0	0	0	0	110.5	Q373 F385	Q373-S375 PolarHBondContact O-N 3.25Å; S375-F385 CarbonylContact C-O 3.56Å; S375-F385 WeakPolarHBondContact CA-O 3.29Å
376	Y	76.6	Confident	62.8	Low	76 Å²	76	112.8 Å²	112.8	30%	0.298	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.9	117	-175.4	-58.4	-91.3	0	0	0	108.2	K374 T384 F385 S388	K374-Y376 HydrophobicContact CB-CE2 3.84Å; K374-Y376 WeakPolarHBondContact O-CD2 3.48Å; K374-Y376 WeakPolarHBondContact O-CE2 3.32Å; Y376-T384 CarbonylContact O-C 3.6Å; Y376-T384 WeakPolarHBondContact O-CA 3.49Å; Y376-F385 PolarHBondContact N-O 3.4Å; Y376-F385 PolarHBondContact O-N 2.95Å; Y376-S388 VanDerWaalsContact CD2-N 3.33Å
377	R	75.1	Confident	65	Low	166 Å²	166	112 Å²	112	63%	0.626	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.8	144.8	-177.8	-176	175.9	-74.3	-172.3	-1.2	110.9	K383 T384 L391	R377-K383 CarbonylContact C-O 3.2Å; R377-K383 WeakPolarHBondContact CA-O 3.39Å; R377-T384 HydrophobicContact CB-CG2 4.21Å; R377-T384 HydrophobicContact CG-CG2 4.36Å; R377-L391 VanDerWaalsContact O-CD2 3.25Å; R377-L391 WeakPolarHBondContact O-CD2 3.41Å
378	C	82.6	Confident	66.8	Low	1 Å²	1	104.5 Å²	104.5	1%	0.007	56%	0.555	C	S	.	*			trans	-92.4	115	167.8	-173.9	0	0	0	0	110.4	Q380 C381 G382 K383 F385 L391	C378-Q380 VanDerWaalsContact C-N 3.28Å; C378-Q380 PolarHBondContact O-N 3.04Å; C378-C381 PolarHBondContact O-N 3.42Å; C378-G382 WeakPolarHBondContact O-CA 3.42Å; C378-G382 PolarHBondContact O-N 3.27Å; C378-K383 PolarHBondContact N-O 3.11Å; C378-F385 HydrophobicContact CB-CE2 4.33Å; C378-L391 HydrophobicContact CB-CD1 3.48Å; C378-L391 VanDerWaalsContact CB-CD1 3.48Å
379	D	75.8	Confident	68.4	Low	137 Å²	137	105.8 Å²	105.8	73%	0.733	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-26.1	-171.8	-46.4	-70.1	0	0	0	113.1
380	Q	74.1	Confident	69.8	Low	144 Å²	144	103.4 Å²	103.4	67%	0.673	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.7	179	-64.3	-169.7	5.6	0	0	114.6	C378	C378-Q380 VanDerWaalsContact C-N 3.28Å; C378-Q380 PolarHBondContact O-N 3.04Å
381	C	80.6	Confident	71.5	Confident	51 Å²	51	96.7 Å²	96.7	35%	0.345	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150	15.5	-179	80.7	0	0	0	0	115.5	C378 K383 H394	C378-C381 PolarHBondContact O-N 3.42Å; C381-K383 PolarHBondContact O-N 2.96Å; C381-H394 PolarHBondContact SG-NE2 3.12Å
382	G	75.5	Confident	73.1	Confident	45 Å²	45	90.1 Å²	90.1	46%	0.464	48%	0.476	S	S	.	.			trans	68.9	-11.8	175.6	0	0	0	0	0	117.2	C378 T384	C378-G382 WeakPolarHBondContact O-CA 3.42Å; C378-G382 PolarHBondContact O-N 3.27Å; G382-T384 PolarHBondContact O-N 3.12Å
383	K	77.9	Confident	74.2	Confident	123 Å²	123	87.2 Å²	87.2	54%	0.535	45%	0.446	S	S	.	.			trans	-64.4	131.1	-172.3	-70.9	178.5	-176	175.8	0	111.9	R377 C378 C381 F385	R377-K383 CarbonylContact C-O 3.2Å; R377-K383 WeakPolarHBondContact CA-O 3.39Å; C378-K383 PolarHBondContact N-O 3.11Å; C381-K383 PolarHBondContact O-N 2.96Å; K383-F385 HydrophobicContact CB-CE2 3.77Å; K383-F385 HydrophobicContact CB-CZ 3.98Å; K383-F385 WeakPolarHBondContact O-CE2 3.26Å
384	T	72.8	Confident	75.5	Confident	85 Å²	85	81.7 Å²	81.7	52%	0.521	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	143.1	178.1	46.3	0	0	0	0	111.5	Y376 R377 G382	Y376-T384 CarbonylContact O-C 3.6Å; Y376-T384 WeakPolarHBondContact O-CA 3.49Å; R377-T384 HydrophobicContact CB-CG2 4.21Å; R377-T384 HydrophobicContact CG-CG2 4.36Å; G382-T384 PolarHBondContact O-N 3.12Å
385	F	83.7	Confident	76.3	Confident	47 Å²	47	77.4 Å²	77.4	21%	0.206	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.9	-179.3	-60.8	-88.6	0	0	0	110.1	S375 Y376 C378 K383 R387 H390 L391 H394	S375-F385 CarbonylContact C-O 3.56Å; S375-F385 WeakPolarHBondContact CA-O 3.29Å; Y376-F385 PolarHBondContact N-O 3.4Å; Y376-F385 PolarHBondContact O-N 2.95Å; C378-F385 HydrophobicContact CB-CE2 4.33Å; K383-F385 HydrophobicContact CB-CE2 3.77Å; K383-F385 HydrophobicContact CB-CZ 3.98Å; K383-F385 WeakPolarHBondContact O-CE2 3.26Å; F385-R387 PolarHBondContact O-N 3.29Å; F385-H390 HydrophobicContact CB-CB 4.15Å; F385-H390 HydrophobicContact CD1-CB 3.88Å; F385-H390 HydrophobicContact CG-CB 4.3Å; F385-L391 HydrophobicContact CB-CB 4.32Å; F385-L391 HydrophobicContact CD2-CB 3.98Å; F385-L391 HydrophobicContact CD2-CD1 3.87Å; F385-L391 HydrophobicContact CE2-CD1 4.06Å; F385-L391 HydrophobicContact CG-CB 4.32Å; F385-H394 HydrophobicContact CE1-CB 4.06Å; F385-H394 HydrophobicContact CE2-CB 3.96Å; F385-H394 AromaticContact CE2-CD2 3.46Å; F385-H394 VanDerWaalsContact CE2-CD2 3.46Å; F385-H394 WeakPolarHBondContact CE2-CD2 3.3Å; F385-H394 AromaticContact CE2-CG 3.74Å; F385-H394 HydrophobicContact CZ-CB 3.54Å; F385-H394 AromaticContact CZ-CD2 3.47Å; F385-H394 VanDerWaalsContact CZ-CD2 3.47Å; F385-H394 WeakPolarHBondContact CZ-CD2 3.39Å; F385-H394 AromaticContact CZ-CG 3.31Å; F385-H394 AromaticContact CZ-ND1 3.92Å
386	N	79.6	Confident	76.9	Confident	87 Å²	87	75.3 Å²	75.3	47%	0.465	38%	0.38	S	S	.	.	S	Bend	trans	-79.2	-2.3	177.4	61.2	-2.2	0	0	0	114.2
387	R	76.4	Confident	76.8	Confident	156 Å²	156	75.8 Å²	75.8	59%	0.589	39%	0.387	S	S	*	.	S	Bend	trans	-142.7	137.4	178	-69.5	-175.6	168.1	-177.1	-6.3	110.4	F385 S389 H390 L391	F385-R387 PolarHBondContact O-N 3.29Å; R387-S389 VanDerWaalsContact C-N 3.3Å; R387-S389 PolarHBondContact O-N 3.05Å; R387-H390 HydrophobicContact CB-CB 4.39Å; R387-H390 WeakPolarHBondContact O-CB 3.36Å; R387-H390 PolarHBondContact O-N 2.79Å; R387-H390 VanDerWaalsContact O-N 3.12Å; R387-L391 PolarHBondContact O-N 3.26Å
388	S	74.1	Confident	76.8	Confident	54 Å²	54	71.3 Å²	71.3	38%	0.378	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-38.3	176.1	49.8	0	0	0	0	112.2	Y376 H390 L391 I392	Y376-S388 VanDerWaalsContact CD2-N 3.33Å; S388-H390 VanDerWaalsContact C-N 3.28Å; S388-H390 PolarHBondContact O-N 3.14Å; S388-L391 WeakPolarHBondContact O-CB 3.15Å; S388-L391 PolarHBondContact O-N 3.34Å; S388-L391 VanDerWaalsContact O-N 3.12Å; S388-I392 WeakPolarHBondContact O-CG1 3.47Å; S388-I392 PolarHBondContact O-N 2.96Å
389	S	75	Confident	76.4	Confident	72 Å²	72	74.8 Å²	74.8	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-60.8	-33.4	175	55.1	0	0	0	0	113.4	R387 G393	R387-S389 VanDerWaalsContact C-N 3.3Å; R387-S389 PolarHBondContact O-N 3.05Å; S389-G393 PolarHBondContact O-N 3.15Å
390	H	76.1	Confident	76.2	Confident	93 Å²	93	70 Å²	70	43%	0.431	38%	0.378	S	S	.	.	H	α-helix	trans	-72.9	-38.3	173.6	-64.3	170	0	0	0	111.7	F385 R387 S388 H394	F385-H390 HydrophobicContact CB-CB 4.15Å; F385-H390 HydrophobicContact CD1-CB 3.88Å; F385-H390 HydrophobicContact CG-CB 4.3Å; R387-H390 HydrophobicContact CB-CB 4.39Å; R387-H390 WeakPolarHBondContact O-CB 3.36Å; R387-H390 PolarHBondContact O-N 2.79Å; R387-H390 VanDerWaalsContact O-N 3.12Å; S388-H390 VanDerWaalsContact C-N 3.28Å; S388-H390 PolarHBondContact O-N 3.14Å; H390-H394 VanDerWaalsContact O-CB 3.27Å; H390-H394 WeakPolarHBondContact O-CB 3.42Å; H390-H394 PolarHBondContact O-N 3Å
391	L	78.1	Confident	76.1	Confident	17 Å²	17	67.8 Å²	67.8	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-47.8	172	173	61.4	0	0	0	111.6	R377 C378 F385 R387 S388 G393 H394 Q395	R377-L391 VanDerWaalsContact O-CD2 3.25Å; R377-L391 WeakPolarHBondContact O-CD2 3.41Å; C378-L391 HydrophobicContact CB-CD1 3.48Å; C378-L391 VanDerWaalsContact CB-CD1 3.48Å; F385-L391 HydrophobicContact CB-CB 4.32Å; F385-L391 HydrophobicContact CD2-CB 3.98Å; F385-L391 HydrophobicContact CD2-CD1 3.87Å; F385-L391 HydrophobicContact CE2-CD1 4.06Å; F385-L391 HydrophobicContact CG-CB 4.32Å; R387-L391 PolarHBondContact O-N 3.26Å; S388-L391 WeakPolarHBondContact O-CB 3.15Å; S388-L391 PolarHBondContact O-N 3.34Å; S388-L391 VanDerWaalsContact O-N 3.12Å; L391-G393 PolarHBondContact O-N 3.11Å; L391-H394 CarbonylContact O-C 3.57Å; L391-H394 WeakPolarHBondContact O-CA 3.39Å; L391-H394 WeakPolarHBondContact O-CB 3.4Å; L391-H394 PolarHBondContact O-N 3.03Å; L391-Q395 HydrophobicContact CD1-CG 3.96Å; L391-Q395 HydrophobicContact CG-CG 4.29Å; L391-Q395 WeakPolarHBondContact O-CG 3.2Å; L391-Q395 PolarHBondContact O-N 3.35Å
392	I	75.3	Confident	76	Confident	84 Å²	84	70.4 Å²	70.4	43%	0.431	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-45.5	179.1	-66.5	162.4	0	0	0	110.3	S388 H394 Q395 R396	S388-I392 WeakPolarHBondContact O-CG1 3.47Å; S388-I392 PolarHBondContact O-N 2.96Å; I392-H394 PolarHBondContact O-N 2.83Å; I392-Q395 PolarHBondContact O-N 3.4Å; I392-R396 PolarHBondContact O-N 2.86Å
393	G	73.1	Confident	76.1	Confident	11 Å²	11	71.5 Å²	71.5	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-22.4	173.5	0	0	0	0	0	114.1	S389 L391	S389-G393 PolarHBondContact O-N 3.15Å; L391-G393 PolarHBondContact O-N 3.11Å
394	H	78.4	Confident	76.1	Confident	21 Å²	21	69 Å²	69	10%	0.097	36%	0.36	C	S	.	.	H	α-helix	trans	-86.5	-37.3	173.6	174.5	63.4	0	0	0	113.1	C381 F385 H390 L391 I392 R396 I397 H398	C381-H394 PolarHBondContact SG-NE2 3.12Å; F385-H394 HydrophobicContact CE1-CB 4.06Å; F385-H394 HydrophobicContact CE2-CB 3.96Å; F385-H394 AromaticContact CE2-CD2 3.46Å; F385-H394 VanDerWaalsContact CE2-CD2 3.46Å; F385-H394 WeakPolarHBondContact CE2-CD2 3.3Å; F385-H394 AromaticContact CE2-CG 3.74Å; F385-H394 HydrophobicContact CZ-CB 3.54Å; F385-H394 AromaticContact CZ-CD2 3.47Å; F385-H394 VanDerWaalsContact CZ-CD2 3.47Å; F385-H394 WeakPolarHBondContact CZ-CD2 3.39Å; F385-H394 AromaticContact CZ-CG 3.31Å; F385-H394 AromaticContact CZ-ND1 3.92Å; H390-H394 VanDerWaalsContact O-CB 3.27Å; H390-H394 WeakPolarHBondContact O-CB 3.42Å; H390-H394 PolarHBondContact O-N 3Å; L391-H394 CarbonylContact O-C 3.57Å; L391-H394 WeakPolarHBondContact O-CA 3.39Å; L391-H394 WeakPolarHBondContact O-CB 3.4Å; L391-H394 PolarHBondContact O-N 3.03Å; I392-H394 PolarHBondContact O-N 2.83Å; H394-R396 PolarHBondContact O-N 2.68Å; H394-I397 WeakPolarHBondContact O-CB 3.32Å; H394-I397 WeakPolarHBondContact O-CG1 3.21Å; H394-I397 PolarHBondContact O-N 3.15Å; H394-H398 AromaticContact CD2-NE2 4Å; H394-H398 AromaticContact CE1-NE2 3.71Å; H394-H398 AromaticContact NE2-CE1 3.88Å; H394-H398 AromaticContact NE2-NE2 3.21Å; H394-H398 PolarHBondContact NE2-NE2 2.98Å
395	Q	74.1	Confident	76.2	Confident	65 Å²	65	70.2 Å²	70.2	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-34.8	177.2	-76.3	165	-38.9	0	0	111.7	L391 I392 I397 H398 T399	L391-Q395 HydrophobicContact CD1-CG 3.96Å; L391-Q395 HydrophobicContact CG-CG 4.29Å; L391-Q395 WeakPolarHBondContact O-CG 3.2Å; L391-Q395 PolarHBondContact O-N 3.35Å; I392-Q395 PolarHBondContact O-N 3.4Å; Q395-I397 PolarHBondContact O-N 3.09Å; Q395-H398 PolarHBondContact O-N 3.3Å; Q395-T399 PolarHBondContact O-N 2.79Å
396	R	80.3	Confident	76.2	Confident	46 Å²	46	68 Å²	68	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-58.1	-14.4	169.6	-66.3	179.9	-178.4	167.8	2.4	114.9	I392 H394 G400 E401 Y404 R414	I392-R396 PolarHBondContact O-N 2.86Å; H394-R396 PolarHBondContact O-N 2.68Å; R396-G400 PolarHBondContact O-N 2.92Å; R396-E401 HydrophobicContact CB-CB 4.31Å; R396-E401 HydrophobicContact CG-CB 4.04Å; R396-E401 IonicContact NE-OE2 3.44Å; R396-Y404 PolarHBondContact NH1-OH 2.84Å; R396-R414 PolarHBondContact NH1-O 3.27Å; R396-R414 VanDerWaalsContact NH1-O 3.15Å; R396-R414 VanDerWaalsContact O-CZ 3.27Å; R396-R414 PolarHBondContact O-NE 2.79Å; R396-R414 PolarHBondContact O-NH2 3.23Å; R396-R414 VanDerWaalsContact O-NH2 3.15Å
397	I	73.8	Confident	76.1	Confident	86 Å²	86	71.2 Å²	71.2	44%	0.441	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-40.8	170.9	-59	-175.5	0	0	0	110.6	H394 Q395 R414	H394-I397 WeakPolarHBondContact O-CB 3.32Å; H394-I397 WeakPolarHBondContact O-CG1 3.21Å; H394-I397 PolarHBondContact O-N 3.15Å; Q395-I397 PolarHBondContact O-N 3.09Å; I397-R414 PolarHBondContact O-NH2 3.4Å
398	H	76.3	Confident	76.1	Confident	72 Å²	72	69.6 Å²	69.6	33%	0.333	37%	0.366	S	S	.	.	H	α-helix	trans	-85.4	-41.8	-177.5	-48.1	-54.8	0	0	0	112.5	H394 Q395 G400	H394-H398 AromaticContact CD2-NE2 4Å; H394-H398 AromaticContact CE1-NE2 3.71Å; H394-H398 AromaticContact NE2-CE1 3.88Å; H394-H398 AromaticContact NE2-NE2 3.21Å; H394-H398 PolarHBondContact NE2-NE2 2.98Å; Q395-H398 PolarHBondContact O-N 3.3Å; H398-G400 PolarHBondContact O-N 3.45Å
399	T	72.9	Confident	76.4	Confident	75 Å²	75	69.3 Å²	69.3	46%	0.46	36%	0.363	S	S	.	.	S	Bend	trans	-74.3	-6.5	177.8	64.4	0	0	0	0	113.7	Q395 E401	Q395-T399 PolarHBondContact O-N 2.79Å; T399-E401 VanDerWaalsContact CB-OE1 3.23Å; T399-E401 WeakPolarHBondContact CB-OE1 3.45Å; T399-E401 PolarHBondContact O-N 3.01Å; T399-E401 WeakPolarHBondContact OG1-CG 3.5Å; T399-E401 PolarHBondContact OG1-OE1 2.95Å
400	G	72.1	Confident	76.5	Confident	37 Å²	37	67.9 Å²	67.9	38%	0.381	36%	0.36	S	S	.	.			trans	79	-23.6	-179.8	0	0	0	0	0	114.8	R396 H398	R396-G400 PolarHBondContact O-N 2.92Å; H398-G400 PolarHBondContact O-N 3.45Å
401	E	72.3	Confident	76.6	Confident	96 Å²	96	69.1 Å²	69.1	45%	0.449	36%	0.364	S	S	.	.			trans	-41.3	133.3	-175.8	-75.9	165.3	-121.6	0	0	115	R396 T399 P403 R414	R396-E401 HydrophobicContact CB-CB 4.31Å; R396-E401 HydrophobicContact CG-CB 4.04Å; R396-E401 IonicContact NE-OE2 3.44Å; T399-E401 VanDerWaalsContact CB-OE1 3.23Å; T399-E401 WeakPolarHBondContact CB-OE1 3.45Å; T399-E401 PolarHBondContact O-N 3.01Å; T399-E401 WeakPolarHBondContact OG1-CG 3.5Å; T399-E401 PolarHBondContact OG1-OE1 2.95Å; E401-P403 HydrophobicContact CB-CG 4.45Å; E401-R414 WeakPolarHBondContact O-CG 3.4Å
402	K	79.2	Confident	76.5	Confident	107 Å²	107	70.8 Å²	70.8	47%	0.465	38%	0.375	S	S	.	.			trans	-134.2	73.7	175.9	-68.7	164.5	173.6	-176.4	0	110.7	Y404 T412 F413 R414	K402-Y404 PolarHBondContact O-N 3.12Å; K402-T412 WeakPolarHBondContact CD-O 3.35Å; K402-T412 VanDerWaalsContact CD-OG1 3.32Å; K402-T412 WeakPolarHBondContact CD-OG1 3.45Å; K402-F413 CarbonylContact C-O 3.47Å; K402-F413 VanDerWaalsContact CA-O 3.22Å; K402-F413 WeakPolarHBondContact CA-O 3.49Å; K402-R414 HydrophobicContact CG-CG 3.95Å
403	P	76.9	Confident	76.8	Confident	68 Å²	68	68.7 Å²	68.7	44%	0.442	36%	0.363	S	S	.	.			trans	-72	0.9	-166.1	-21.2	36	0	0	0	116.6	E401	E401-P403 HydrophobicContact CB-CG 4.45Å
404	Y	77.9	Confident	77.1	Confident	71 Å²	71	71.5 Å²	71.5	28%	0.278	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	104.5	-175.6	-49.6	-69.1	0	0	0	110.1	R396 K402 T412 F413 T416	R396-Y404 PolarHBondContact NH1-OH 2.84Å; K402-Y404 PolarHBondContact O-N 3.12Å; Y404-T412 CarbonylContact O-C 3.56Å; Y404-T412 WeakPolarHBondContact O-CA 3.33Å; Y404-F413 PolarHBondContact N-O 3.38Å; Y404-F413 PolarHBondContact O-N 2.81Å; Y404-T416 HydrophobicContact CD1-CG2 3.59Å; Y404-T416 HydrophobicContact CD2-CG2 4.28Å; Y404-T416 HydrophobicContact CE1-CG2 3.47Å; Y404-T416 VanDerWaalsContact CE1-CG2 3.47Å; Y404-T416 HydrophobicContact CE2-CG2 4.16Å; Y404-T416 HydrophobicContact CG-CG2 4Å
405	E	74.9	Confident	77	Confident	110 Å²	110	74.1 Å²	74.1	51%	0.514	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	148.9	-179.3	-166.6	166.1	156.3	0	0	112.5	T412 L419	E405-T412 HydrophobicContact CB-CG2 3.94Å; E405-T412 HydrophobicContact CG-CG2 3.78Å; E405-L419 VanDerWaalsContact O-CD2 3.31Å; E405-L419 WeakPolarHBondContact O-CD2 3.48Å
406	C	84.3	Confident	77	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	102.1	169.1	179.4	0	0	0	0	109.9	E408 C409 G410 K411 F413 L419 H422 H426	C406-E408 PolarHBondContact O-N 2.99Å; C406-C409 PolarHBondContact O-N 3.16Å; C406-C409 VanDerWaalsContact SG-SG 3.64Å; C406-G410 PolarHBondContact O-N 3.43Å; C406-K411 HydrophobicContact CB-CB 4.45Å; C406-K411 WeakPolarHBondContact CB-O 3.24Å; C406-K411 PolarHBondContact N-O 2.95Å; C406-F413 HydrophobicContact CB-CE2 4.33Å; C406-L419 HydrophobicContact CB-CD1 3.63Å; C406-H422 PolarHBondContact SG-NE2 3.31Å; C406-H426 PolarHBondContact SG-NE2 2.83Å; C406-H426 VanDerWaalsContact SG-NE2 3.38Å
407	N	77.6	Confident	76.9	Confident	155 Å²	155	75.4 Å²	75.4	83%	0.829	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-21.5	-179.3	-57.7	-2.7	0	0	0	114.2
408	E	76.3	Confident	77	Confident	121 Å²	121	75.1 Å²	75.1	57%	0.565	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-15.7	-179.7	-60.9	174.9	149.5	0	0	113.6	C406 H426	C406-E408 PolarHBondContact O-N 2.99Å; E408-H426 WeakPolarHBondContact OE2-CB 3.32Å; E408-H426 IonicContact OE2-CD2 3.79Å; E408-H426 PolarHBondContact OE2-CD2 3.08Å; E408-H426 IonicContact OE2-CG 3.3Å
409	C	80	Confident	77.2	Confident	49 Å²	49	72.9 Å²	72.9	33%	0.331	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.3	16.1	-178.8	71.7	0	0	0	0	116.9	C406 K411 H422 H426	C406-C409 PolarHBondContact O-N 3.16Å; C406-C409 VanDerWaalsContact SG-SG 3.64Å; C409-K411 PolarHBondContact O-N 3.4Å; C409-H422 PolarHBondContact SG-NE2 3.5Å; C409-H426 VanDerWaalsContact SG-CE1 3.58Å; C409-H426 PolarHBondContact SG-NE2 3.31Å; C409-H426 VanDerWaalsContact SG-NE2 3.38Å
410	G	76.6	Confident	77.4	Confident	42 Å²	42	73.6 Å²	73.6	43%	0.433	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	4.8	176.1	0	0	0	0	0	115.9	C406 T412	C406-G410 PolarHBondContact O-N 3.43Å; G410-T412 PolarHBondContact O-N 2.91Å
411	K	77.8	Confident	77.7	Confident	118 Å²	118	73.4 Å²	73.4	51%	0.513	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.1	-176.1	-73.3	174.5	-170.8	156	0	110.6	C406 C409 F413	C406-K411 HydrophobicContact CB-CB 4.45Å; C406-K411 WeakPolarHBondContact CB-O 3.24Å; C406-K411 PolarHBondContact N-O 2.95Å; C409-K411 PolarHBondContact O-N 3.4Å; K411-F413 HydrophobicContact CB-CE2 3.73Å; K411-F413 HydrophobicContact CB-CZ 3.95Å; K411-F413 VanDerWaalsContact O-CD2 3.3Å; K411-F413 WeakPolarHBondContact O-CD2 3.34Å; K411-F413 WeakPolarHBondContact O-CE2 3.4Å
412	T	76.8	Confident	78	Confident	52 Å²	52	69.8 Å²	69.8	32%	0.319	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.5	-176.8	49.8	0	0	0	0	112.3	K402 Y404 E405 G410	K402-T412 WeakPolarHBondContact CD-O 3.35Å; K402-T412 VanDerWaalsContact CD-OG1 3.32Å; K402-T412 WeakPolarHBondContact CD-OG1 3.45Å; Y404-T412 CarbonylContact O-C 3.56Å; Y404-T412 WeakPolarHBondContact O-CA 3.33Å; E405-T412 HydrophobicContact CB-CG2 3.94Å; E405-T412 HydrophobicContact CG-CG2 3.78Å; G410-T412 PolarHBondContact O-N 2.91Å
413	F	82.1	Confident	77.9	Confident	41 Å²	41	67.5 Å²	67.5	18%	0.18	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.3	-173.2	-62.7	-87.5	0	0	0	112.7	K402 Y404 C406 K411 Q418 L419 H422	K402-F413 CarbonylContact C-O 3.47Å; K402-F413 VanDerWaalsContact CA-O 3.22Å; K402-F413 WeakPolarHBondContact CA-O 3.49Å; Y404-F413 PolarHBondContact N-O 3.38Å; Y404-F413 PolarHBondContact O-N 2.81Å; C406-F413 HydrophobicContact CB-CE2 4.33Å; K411-F413 HydrophobicContact CB-CE2 3.73Å; K411-F413 HydrophobicContact CB-CZ 3.95Å; K411-F413 VanDerWaalsContact O-CD2 3.3Å; K411-F413 WeakPolarHBondContact O-CD2 3.34Å; K411-F413 WeakPolarHBondContact O-CE2 3.4Å; F413-Q418 HydrophobicContact CB-CB 4.17Å; F413-Q418 HydrophobicContact CD1-CB 3.9Å; F413-Q418 HydrophobicContact CG-CB 4.34Å; F413-L419 HydrophobicContact CB-CB 4.29Å; F413-L419 HydrophobicContact CD2-CB 4.06Å; F413-L419 HydrophobicContact CD2-CD1 3.87Å; F413-L419 HydrophobicContact CE2-CD1 4.11Å; F413-L419 HydrophobicContact CG-CB 4.3Å; F413-H422 HydrophobicContact CE1-CB 3.96Å; F413-H422 HydrophobicContact CE2-CB 3.96Å; F413-H422 AromaticContact CE2-CD2 3.23Å; F413-H422 WeakPolarHBondContact CE2-CD2 3.48Å; F413-H422 AromaticContact CE2-CG 3.69Å; F413-H422 HydrophobicContact CZ-CB 3.51Å; F413-H422 AromaticContact CZ-CD2 3.28Å; F413-H422 WeakPolarHBondContact CZ-CD2 3.42Å; F413-H422 AromaticContact CZ-CG 3.27Å
414	R	78.6	Confident	78.2	Confident	70 Å²	70	66.3 Å²	66.3	26%	0.264	34%	0.343	S	S	.	.	S	Bend	trans	-80.3	-22	-176.9	-60.6	-170	155	152.6	-13.8	113.7	R396 I397 E401 K402	R396-R414 PolarHBondContact NH1-O 3.27Å; R396-R414 VanDerWaalsContact NH1-O 3.15Å; R396-R414 VanDerWaalsContact O-CZ 3.27Å; R396-R414 PolarHBondContact O-NE 2.79Å; R396-R414 PolarHBondContact O-NH2 3.23Å; R396-R414 VanDerWaalsContact O-NH2 3.15Å; I397-R414 PolarHBondContact O-NH2 3.4Å; E401-R414 WeakPolarHBondContact O-CG 3.4Å; K402-R414 HydrophobicContact CG-CG 3.95Å
415	Q	76.1	Confident	78.1	Confident	75 Å²	75	65.6 Å²	65.6	35%	0.35	35%	0.346	S	S	.	.	S	Bend	trans	-141	143.6	-175.1	-63.2	175	-13.9	0	0	110.4	S417 Q418 L419	Q415-S417 VanDerWaalsContact C-N 3.28Å; Q415-S417 PolarHBondContact O-N 2.78Å; Q415-Q418 HydrophobicContact CB-CG 4.07Å; Q415-Q418 WeakPolarHBondContact O-CB 3.49Å; Q415-Q418 PolarHBondContact O-N 3.26Å; Q415-Q418 VanDerWaalsContact O-N 3.08Å; Q415-L419 PolarHBondContact O-N 2.86Å
416	T	75.6	Confident	78.2	Confident	75 Å²	75	64.1 Å²	64.1	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-57.7	-38.8	176.4	44.4	0	0	0	0	112.7	Y404 Q418 L419 I420	Y404-T416 HydrophobicContact CD1-CG2 3.59Å; Y404-T416 HydrophobicContact CD2-CG2 4.28Å; Y404-T416 HydrophobicContact CE1-CG2 3.47Å; Y404-T416 VanDerWaalsContact CE1-CG2 3.47Å; Y404-T416 HydrophobicContact CE2-CG2 4.16Å; Y404-T416 HydrophobicContact CG-CG2 4Å; T416-Q418 PolarHBondContact O-N 2.83Å; T416-L419 PolarHBondContact O-N 3.03Å; T416-L419 VanDerWaalsContact O-N 3.15Å; T416-I420 VanDerWaalsContact O-CG1 3.31Å; T416-I420 WeakPolarHBondContact O-CG1 3.38Å; T416-I420 PolarHBondContact O-N 3.2Å
417	S	76.5	Confident	77.7	Confident	63 Å²	63	67.6 Å²	67.6	44%	0.441	36%	0.361	S	S	.	.	H	α-helix	trans	-57.4	-34.2	175.5	54.7	0	0	0	0	113.3	Q415 V421	Q415-S417 VanDerWaalsContact C-N 3.28Å; Q415-S417 PolarHBondContact O-N 2.78Å; S417-V421 WeakPolarHBondContact O-CG2 3.43Å; S417-V421 PolarHBondContact O-N 2.83Å
418	Q	76.6	Confident	77.6	Confident	80 Å²	80	62 Å²	62	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-75.1	-39.8	178	-61.5	170.3	10.8	0	0	110.9	F413 Q415 T416 H422	F413-Q418 HydrophobicContact CB-CB 4.17Å; F413-Q418 HydrophobicContact CD1-CB 3.9Å; F413-Q418 HydrophobicContact CG-CB 4.34Å; Q415-Q418 HydrophobicContact CB-CG 4.07Å; Q415-Q418 WeakPolarHBondContact O-CB 3.49Å; Q415-Q418 PolarHBondContact O-N 3.26Å; Q415-Q418 VanDerWaalsContact O-N 3.08Å; T416-Q418 PolarHBondContact O-N 2.83Å; Q418-H422 WeakPolarHBondContact O-CB 3.31Å; Q418-H422 PolarHBondContact O-N 3.12Å
419	L	80.1	Confident	77.7	Confident	25 Å²	25	61 Å²	61	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-47.2	171.9	174.8	59.4	0	0	0	111.4	E405 C406 F413 Q415 T416 V421 H422 L423	E405-L419 VanDerWaalsContact O-CD2 3.31Å; E405-L419 WeakPolarHBondContact O-CD2 3.48Å; C406-L419 HydrophobicContact CB-CD1 3.63Å; F413-L419 HydrophobicContact CB-CB 4.29Å; F413-L419 HydrophobicContact CD2-CB 4.06Å; F413-L419 HydrophobicContact CD2-CD1 3.87Å; F413-L419 HydrophobicContact CE2-CD1 4.11Å; F413-L419 HydrophobicContact CG-CB 4.3Å; Q415-L419 PolarHBondContact O-N 2.86Å; T416-L419 PolarHBondContact O-N 3.03Å; T416-L419 VanDerWaalsContact O-N 3.15Å; L419-V421 VanDerWaalsContact C-N 3.34Å; L419-V421 PolarHBondContact O-N 2.87Å; L419-H422 CarbonylContact O-C 3.57Å; L419-H422 WeakPolarHBondContact O-CA 3.44Å; L419-H422 WeakPolarHBondContact O-CB 3.49Å; L419-H422 PolarHBondContact O-N 3.39Å; L419-L423 HydrophobicContact CD1-CD1 4.37Å; L419-L423 HydrophobicContact CD1-CD2 4.37Å; L419-L423 HydrophobicContact CD1-CG 4.09Å; L419-L423 HydrophobicContact CG-CD1 4.2Å; L419-L423 HydrophobicContact CG-CG 4.39Å; L419-L423 WeakPolarHBondContact O-CG 3.35Å; L419-L423 PolarHBondContact O-N 2.95Å
420	I	77.9	Confident	77.8	Confident	91 Å²	91	63.4 Å²	63.4	47%	0.467	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-45	-179.9	-69.7	163.4	0	0	0	111.2	T416 H422 L423 R424	T416-I420 VanDerWaalsContact O-CG1 3.31Å; T416-I420 WeakPolarHBondContact O-CG1 3.38Å; T416-I420 PolarHBondContact O-N 3.2Å; I420-H422 VanDerWaalsContact C-N 3.28Å; I420-H422 PolarHBondContact O-N 2.94Å; I420-L423 PolarHBondContact O-N 3.24Å; I420-R424 PolarHBondContact O-N 3.11Å
421	V	77.1	Confident	78.1	Confident	32 Å²	32	64.7 Å²	64.7	19%	0.194	34%	0.341	C	S	.	.	H	α-helix	trans	-74.2	-21.3	177.6	-176.6	0	0	0	0	112.1	S417 L419 H443	S417-V421 WeakPolarHBondContact O-CG2 3.43Å; S417-V421 PolarHBondContact O-N 2.83Å; L419-V421 VanDerWaalsContact C-N 3.34Å; L419-V421 PolarHBondContact O-N 2.87Å; V421-H443 WeakPolarHBondContact CG1-CE1 3.36Å
422	H	80.3	Confident	78.3	Confident	21 Å²	21	62.8 Å²	62.8	10%	0.097	33%	0.331	C	S	.	.	H	α-helix	trans	-75.1	-35.7	168.1	174	52.1	0	0	0	113.3	C406 C409 F413 Q418 L419 I420 R424 T425 H426	C406-H422 PolarHBondContact SG-NE2 3.31Å; C409-H422 PolarHBondContact SG-NE2 3.5Å; F413-H422 HydrophobicContact CE1-CB 3.96Å; F413-H422 HydrophobicContact CE2-CB 3.96Å; F413-H422 AromaticContact CE2-CD2 3.23Å; F413-H422 WeakPolarHBondContact CE2-CD2 3.48Å; F413-H422 AromaticContact CE2-CG 3.69Å; F413-H422 HydrophobicContact CZ-CB 3.51Å; F413-H422 AromaticContact CZ-CD2 3.28Å; F413-H422 WeakPolarHBondContact CZ-CD2 3.42Å; F413-H422 AromaticContact CZ-CG 3.27Å; Q418-H422 WeakPolarHBondContact O-CB 3.31Å; Q418-H422 PolarHBondContact O-N 3.12Å; L419-H422 CarbonylContact O-C 3.57Å; L419-H422 WeakPolarHBondContact O-CA 3.44Å; L419-H422 WeakPolarHBondContact O-CB 3.49Å; L419-H422 PolarHBondContact O-N 3.39Å; I420-H422 VanDerWaalsContact C-N 3.28Å; I420-H422 PolarHBondContact O-N 2.94Å; H422-R424 PolarHBondContact O-N 3.23Å; H422-T425 PolarHBondContact CE1-OG1 3Å; H422-T425 PolarHBondContact ND1-OG1 2.86Å; H422-T425 WeakPolarHBondContact O-CA 3.21Å; H422-T425 WeakPolarHBondContact O-CB 3.15Å; H422-T425 WeakPolarHBondContact O-CG2 3.44Å; H422-T425 PolarHBondContact O-N 3.41Å; H422-T425 PolarHBondContact O-OG1 3.03Å; H422-H426 AromaticContact CE1-CE1 3.79Å; H422-H426 AromaticContact CE1-NE2 3.41Å; H422-H426 PolarHBondContact CE1-NE2 3.29Å; H422-H426 AromaticContact NE2-CE1 3.96Å; H422-H426 AromaticContact NE2-NE2 3.23Å; H422-H426 PolarHBondContact NE2-NE2 3Å
423	L	75.7	Confident	78.5	Confident	59 Å²	59	66.3 Å²	66.3	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-34.7	176	-69.6	168.7	0	0	0	111.5	L419 I420 T425 H426 T427	L419-L423 HydrophobicContact CD1-CD1 4.37Å; L419-L423 HydrophobicContact CD1-CD2 4.37Å; L419-L423 HydrophobicContact CD1-CG 4.09Å; L419-L423 HydrophobicContact CG-CD1 4.2Å; L419-L423 HydrophobicContact CG-CG 4.39Å; L419-L423 WeakPolarHBondContact O-CG 3.35Å; L419-L423 PolarHBondContact O-N 2.95Å; I420-L423 PolarHBondContact O-N 3.24Å; L423-T425 PolarHBondContact O-N 3.46Å; L423-H426 PolarHBondContact O-N 3.23Å; L423-T427 PolarHBondContact O-N 3.11Å
424	R	82.6	Confident	78.8	Confident	42 Å²	42	64.3 Å²	64.3	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-57.1	-14.5	167.5	-60.2	178.6	-178.1	163.9	1.6	114.2	I420 H422 G428 E429 R442	I420-R424 PolarHBondContact O-N 3.11Å; H422-R424 PolarHBondContact O-N 3.23Å; R424-G428 PolarHBondContact O-N 3.03Å; R424-E429 HydrophobicContact CB-CB 4.19Å; R424-E429 HydrophobicContact CG-CB 4.03Å; R424-R442 HydrophobicContact CB-CG 4.35Å; R424-R442 PolarHBondContact NH1-O 2.95Å; R424-R442 PolarHBondContact O-NE 3.16Å; R424-R442 PolarHBondContact O-NH2 2.64Å
425	T	76.2	Confident	78.9	Confident	56 Å²	56	66.4 Å²	66.4	34%	0.344	36%	0.36	S	S	.	.	H	α-helix	trans	-73.4	-31.7	172.7	72.1	0	0	0	0	113.2	H422 L423 R442	H422-T425 PolarHBondContact CE1-OG1 3Å; H422-T425 PolarHBondContact ND1-OG1 2.86Å; H422-T425 WeakPolarHBondContact O-CA 3.21Å; H422-T425 WeakPolarHBondContact O-CB 3.15Å; H422-T425 WeakPolarHBondContact O-CG2 3.44Å; H422-T425 PolarHBondContact O-N 3.41Å; H422-T425 PolarHBondContact O-OG1 3.03Å; L423-T425 PolarHBondContact O-N 3.46Å; T425-R442 VanDerWaalsContact CA-CZ 3.47Å; T425-R442 PolarHBondContact O-NH2 3.48Å
426	H	76.6	Confident	79	Confident	79 Å²	79	68.2 Å²	68.2	37%	0.366	37%	0.368	S	S	.	.	H	α-helix	trans	-90.6	-48.9	177.3	-50.3	-55.3	0	0	0	111.6	C406 E408 C409 H422 L423 G428	C406-H426 PolarHBondContact SG-NE2 2.83Å; C406-H426 VanDerWaalsContact SG-NE2 3.38Å; E408-H426 WeakPolarHBondContact OE2-CB 3.32Å; E408-H426 IonicContact OE2-CD2 3.79Å; E408-H426 PolarHBondContact OE2-CD2 3.08Å; E408-H426 IonicContact OE2-CG 3.3Å; C409-H426 VanDerWaalsContact SG-CE1 3.58Å; C409-H426 PolarHBondContact SG-NE2 3.31Å; C409-H426 VanDerWaalsContact SG-NE2 3.38Å; H422-H426 AromaticContact CE1-CE1 3.79Å; H422-H426 AromaticContact CE1-NE2 3.41Å; H422-H426 PolarHBondContact CE1-NE2 3.29Å; H422-H426 AromaticContact NE2-CE1 3.96Å; H422-H426 AromaticContact NE2-NE2 3.23Å; H422-H426 PolarHBondContact NE2-NE2 3Å; L423-H426 PolarHBondContact O-N 3.23Å; H426-G428 PolarHBondContact O-N 3.28Å
427	T	75.4	Confident	79.2	Confident	74 Å²	74	67 Å²	67	45%	0.454	36%	0.362	S	S	.	.	S	Bend	trans	-68.1	-6.8	179.4	70.2	0	0	0	0	114.3	L423 E429	L423-T427 PolarHBondContact O-N 3.11Å; T427-E429 PolarHBondContact O-N 3.17Å; T427-E429 VanDerWaalsContact OG1-CD 3.29Å; T427-E429 WeakPolarHBondContact OG1-CG 3.47Å; T427-E429 PolarHBondContact OG1-OE1 3.39Å
428	G	75.1	Confident	79.3	Confident	37 Å²	37	66.1 Å²	66.1	38%	0.381	36%	0.364	S	S	.	.			trans	76.7	-16.4	-179.6	0	0	0	0	0	115	R424 H426	R424-G428 PolarHBondContact O-N 3.03Å; H426-G428 PolarHBondContact O-N 3.28Å
429	E	77.3	Confident	79.5	Confident	100 Å²	100	65 Å²	65	47%	0.467	36%	0.358	S	S	.	.			trans	-46.1	138.6	-174.8	-81.4	169.5	-128.2	0	0	114.9	R424 T427 R442	R424-E429 HydrophobicContact CB-CB 4.19Å; R424-E429 HydrophobicContact CG-CB 4.03Å; T427-E429 PolarHBondContact O-N 3.17Å; T427-E429 VanDerWaalsContact OG1-CD 3.29Å; T427-E429 WeakPolarHBondContact OG1-CG 3.47Å; T427-E429 PolarHBondContact OG1-OE1 3.39Å; E429-R442 VanDerWaalsContact O-CG 3.24Å; E429-R442 WeakPolarHBondContact O-CG 3.17Å
430	K	83.4	Confident	79.7	Confident	100 Å²	100	65.1 Å²	65.1	44%	0.435	36%	0.362	S	S	.	.			trans	-139.6	74.2	179	-74.7	162.6	166.2	-161.1	0	110.7	Y432 A440 Y441 R442	K430-Y432 PolarHBondContact O-N 3.11Å; K430-A440 HydrophobicContact CB-CB 3.56Å; K430-A440 HydrophobicContact CD-CB 4.17Å; K430-A440 VanDerWaalsContact CD-O 3.31Å; K430-A440 WeakPolarHBondContact CD-O 3.28Å; K430-A440 HydrophobicContact CG-CB 4.45Å; K430-Y441 CarbonylContact C-O 3.58Å; K430-Y441 VanDerWaalsContact CA-O 3.3Å; K430-Y441 WeakPolarHBondContact CA-O 3.47Å; K430-R442 HydrophobicContact CG-CG 4.14Å
431	P	82.1	Confident	79.9	Confident	69 Å²	69	63.4 Å²	63.4	45%	0.448	35%	0.35	S	S	.	.			trans	-69.6	-1.1	-169.3	-22	36	0	0	0	116.2
432	Y	83.1	Confident	80.1	Confident	77 Å²	77	65.6 Å²	65.6	30%	0.302	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	92.4	-175.7	-52.5	-72.6	0	0	0	110.1	K430 A440 Y441 R442	K430-Y432 PolarHBondContact O-N 3.11Å; Y432-A440 WeakPolarHBondContact O-CA 3.42Å; Y432-Y441 WeakPolarHBondContact CD2-O 3.23Å; Y432-Y441 PolarHBondContact N-O 3.05Å; Y432-Y441 PolarHBondContact O-N 2.78Å; Y432-R442 WeakPolarHBondContact CE2-O 3.4Å
433	E	81.3	Confident	80.1	Confident	126 Å²	126	68.5 Å²	68.5	59%	0.589	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	143.4	-178.1	-168.3	168	166.2	0	0	113.3	G438 A440 L447	E433-G438 VanDerWaalsContact OE1-CA 3.31Å; E433-G438 WeakPolarHBondContact OE1-CA 3.37Å; E433-A440 HydrophobicContact CB-CB 4.24Å; E433-A440 HydrophobicContact CG-CB 4.24Å; E433-L447 WeakPolarHBondContact O-CD2 3.26Å
434	C	86.8	Confident	80.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	107.7	174	-177.6	0	0	0	0	110.6	E436 C437 G438 K439 L447	C434-E436 PolarHBondContact O-N 3.1Å; C434-E436 VanDerWaalsContact O-N 3.09Å; C434-C437 PolarHBondContact O-N 3.48Å; C434-C437 VanDerWaalsContact O-N 3.09Å; C434-G438 PolarHBondContact O-N 3.24Å; C434-K439 HydrophobicContact CB-CB 4.41Å; C434-K439 WeakPolarHBondContact CB-O 3.24Å; C434-K439 PolarHBondContact N-O 2.9Å; C434-L447 HydrophobicContact CB-CD1 3.53Å
435	S	80.8	Confident	80.3	Confident	113 Å²	113	69.4 Å²	69.4	79%	0.79	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-28.4	176.8	46.6	0	0	0	0	114.5
436	E	78.9	Confident	80.7	Confident	113 Å²	113	70.8 Å²	70.8	53%	0.528	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.3	-177.5	-61.3	169.5	118.6	0	0	113.7	C434 H454	C434-E436 PolarHBondContact O-N 3.1Å; C434-E436 VanDerWaalsContact O-N 3.09Å; E436-H454 IonicContact OE2-CD2 3.96Å; E436-H454 PolarHBondContact OE2-CD2 3.02Å; E436-H454 IonicContact OE2-CG 3.88Å
437	C	80.3	Confident	81.1	Confident	49 Å²	49	68 Å²	68	33%	0.331	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.2	11.4	-176.1	68.2	0	0	0	0	117.1	C434 K439 H450 H454	C434-C437 PolarHBondContact O-N 3.48Å; C434-C437 VanDerWaalsContact O-N 3.09Å; C437-K439 PolarHBondContact O-N 3.12Å; C437-H450 PolarHBondContact SG-NE2 3.42Å; C437-H454 PolarHBondContact SG-NE2 2.81Å; C437-H454 VanDerWaalsContact SG-NE2 3.36Å
438	G	78.7	Confident	81.4	Confident	46 Å²	46	68.7 Å²	68.7	47%	0.474	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	13.9	177.2	0	0	0	0	0	115.6	E433 C434 A440	E433-G438 VanDerWaalsContact OE1-CA 3.31Å; E433-G438 WeakPolarHBondContact OE1-CA 3.37Å; C434-G438 PolarHBondContact O-N 3.24Å; G438-A440 PolarHBondContact O-N 2.65Å
439	K	79.8	Confident	81.7	Confident	57 Å²	57	70.7 Å²	70.7	25%	0.248	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.6	-176.9	-69.6	177	-166	173.3	0	110.8	E255 C434 C437 Y441	E255-K439 IonicContact OE1-NZ 3.31Å; E255-K439 PolarHBondContact OE1-NZ 3.18Å; E255-K439 WeakPolarHBondContact OE2-CE 3.48Å; E255-K439 IonicContact OE2-NZ 3.9Å; E255-K439 PolarHBondContact OE2-NZ 3.15Å; C434-K439 HydrophobicContact CB-CB 4.41Å; C434-K439 WeakPolarHBondContact CB-O 3.24Å; C434-K439 PolarHBondContact N-O 2.9Å; C437-K439 PolarHBondContact O-N 3.12Å; K439-Y441 HydrophobicContact CB-CE2 3.84Å; K439-Y441 VanDerWaalsContact O-CD2 3.31Å; K439-Y441 WeakPolarHBondContact O-CD2 3.29Å; K439-Y441 WeakPolarHBondContact O-CE2 3.23Å
440	A	84.1	Confident	82	Confident	27 Å²	27	66.6 Å²	66.6	22%	0.223	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.5	-177.2	0	0	0	0	0	113.6	K430 Y432 E433 G438	K430-A440 HydrophobicContact CB-CB 3.56Å; K430-A440 HydrophobicContact CD-CB 4.17Å; K430-A440 VanDerWaalsContact CD-O 3.31Å; K430-A440 WeakPolarHBondContact CD-O 3.28Å; K430-A440 HydrophobicContact CG-CB 4.45Å; Y432-A440 WeakPolarHBondContact O-CA 3.42Å; E433-A440 HydrophobicContact CB-CB 4.24Å; E433-A440 HydrophobicContact CG-CB 4.24Å; G438-A440 PolarHBondContact O-N 2.65Å
441	Y	82.8	Confident	81.9	Confident	54 Å²	54	64.7 Å²	64.7	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.3	-173.5	-62.5	-84.5	0	0	0	113	K430 Y432 K439 H446 L447 H450	K430-Y441 CarbonylContact C-O 3.58Å; K430-Y441 VanDerWaalsContact CA-O 3.3Å; K430-Y441 WeakPolarHBondContact CA-O 3.47Å; Y432-Y441 WeakPolarHBondContact CD2-O 3.23Å; Y432-Y441 PolarHBondContact N-O 3.05Å; Y432-Y441 PolarHBondContact O-N 2.78Å; K439-Y441 HydrophobicContact CB-CE2 3.84Å; K439-Y441 VanDerWaalsContact O-CD2 3.31Å; K439-Y441 WeakPolarHBondContact O-CD2 3.29Å; K439-Y441 WeakPolarHBondContact O-CE2 3.23Å; Y441-H446 HydrophobicContact CD1-CB 3.8Å; Y441-H446 HydrophobicContact CG-CB 4.15Å; Y441-L447 HydrophobicContact CD2-CB 3.99Å; Y441-L447 HydrophobicContact CD2-CD1 4.11Å; Y441-L447 HydrophobicContact CE2-CD1 4.35Å; Y441-L447 HydrophobicContact CG-CB 4.48Å; Y441-H450 HydrophobicContact CE1-CB 4.5Å; Y441-H450 HydrophobicContact CE2-CB 3.87Å; Y441-H450 AromaticContact CE2-CD2 3.71Å; Y441-H450 AromaticContact CE2-CG 3.83Å; Y441-H450 AromaticContact CZ-CD2 3.95Å; Y441-H450 AromaticContact CZ-CG 3.67Å; Y441-H450 PolarHBondContact OH-CD2 3.31Å; Y441-H450 PolarHBondContact OH-ND1 3.2Å
442	R	81.8	Confident	82	Confident	79 Å²	79	64.2 Å²	64.2	30%	0.298	34%	0.338	S	S	.	.	S	Bend	trans	-77.7	-20.8	176.9	-77.1	169.8	175.6	167.1	-7.2	114.2	R424 T425 E429 K430 Y432	R424-R442 HydrophobicContact CB-CG 4.35Å; R424-R442 PolarHBondContact NH1-O 2.95Å; R424-R442 PolarHBondContact O-NE 3.16Å; R424-R442 PolarHBondContact O-NH2 2.64Å; T425-R442 VanDerWaalsContact CA-CZ 3.47Å; T425-R442 PolarHBondContact O-NH2 3.48Å; E429-R442 VanDerWaalsContact O-CG 3.24Å; E429-R442 WeakPolarHBondContact O-CG 3.17Å; K430-R442 HydrophobicContact CG-CG 4.14Å; Y432-R442 WeakPolarHBondContact CE2-O 3.4Å
443	H	79.6	Confident	81.7	Confident	81 Å²	81	65.8 Å²	65.8	38%	0.375	35%	0.351	S	S	.	.	S	Bend	trans	-131.4	139.6	179.6	-58	-114.2	0	0	0	110.3	V421 S445 H446 L447	V421-H443 WeakPolarHBondContact CG1-CE1 3.36Å; H443-S445 VanDerWaalsContact C-N 3.28Å; H443-S445 PolarHBondContact O-N 3.13Å; H443-H446 AromaticContact CD2-CE1 3.65Å; H443-H446 AromaticContact CD2-ND1 3.67Å; H443-H446 PolarHBondContact O-N 3.3Å; H443-H446 VanDerWaalsContact O-N 3.13Å; H443-L447 PolarHBondContact O-N 3.5Å
444	S	81.4	Confident	81.6	Confident	57 Å²	57	63.4 Å²	63.4	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-35	174.2	51.4	0	0	0	0	112.7	H446 L447 I448	S444-H446 PolarHBondContact O-N 3.19Å; S444-L447 WeakPolarHBondContact O-CB 3.42Å; S444-L447 PolarHBondContact O-N 3.17Å; S444-L447 VanDerWaalsContact O-N 3.12Å; S444-I448 WeakPolarHBondContact O-CG1 3.48Å; S444-I448 PolarHBondContact O-N 2.97Å
445	S	81.4	Confident	81.2	Confident	64 Å²	64	67.4 Å²	67.4	45%	0.448	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-29.1	175.3	56.3	0	0	0	0	113.6	H443 Q449	H443-S445 VanDerWaalsContact C-N 3.28Å; H443-S445 PolarHBondContact O-N 3.13Å; S445-Q449 VanDerWaalsContact O-CB 3.23Å; S445-Q449 WeakPolarHBondContact O-CB 3.32Å; S445-Q449 PolarHBondContact O-N 3.47Å; S445-Q449 VanDerWaalsContact O-N 3.1Å
446	H	83.3	Confident	81.1	Confident	85 Å²	85	63.8 Å²	63.8	39%	0.394	34%	0.342	S	S	.	.	H	α-helix	trans	-79.8	-34.6	175	-62.5	163	0	0	0	111.9	Y441 H443 S444 Q449 H450	Y441-H446 HydrophobicContact CD1-CB 3.8Å; Y441-H446 HydrophobicContact CG-CB 4.15Å; H443-H446 AromaticContact CD2-CE1 3.65Å; H443-H446 AromaticContact CD2-ND1 3.67Å; H443-H446 PolarHBondContact O-N 3.3Å; H443-H446 VanDerWaalsContact O-N 3.13Å; S444-H446 PolarHBondContact O-N 3.19Å; H446-Q449 PolarHBondContact O-N 2.99Å; H446-H450 VanDerWaalsContact O-CB 3.32Å; H446-H450 WeakPolarHBondContact O-CB 3.37Å; H446-H450 PolarHBondContact O-N 3.21Å
447	L	84.9	Confident	81.1	Confident	21 Å²	21	63.1 Å²	63.1	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-50.1	170.5	172.5	60.1	0	0	0	111.1	E433 C434 Y441 H443 S444 Q449 H450 Q451	E433-L447 WeakPolarHBondContact O-CD2 3.26Å; C434-L447 HydrophobicContact CB-CD1 3.53Å; Y441-L447 HydrophobicContact CD2-CB 3.99Å; Y441-L447 HydrophobicContact CD2-CD1 4.11Å; Y441-L447 HydrophobicContact CE2-CD1 4.35Å; Y441-L447 HydrophobicContact CG-CB 4.48Å; H443-L447 PolarHBondContact O-N 3.5Å; S444-L447 WeakPolarHBondContact O-CB 3.42Å; S444-L447 PolarHBondContact O-N 3.17Å; S444-L447 VanDerWaalsContact O-N 3.12Å; L447-Q449 VanDerWaalsContact C-N 3.29Å; L447-Q449 PolarHBondContact O-N 3.26Å; L447-H450 CarbonylContact O-C 3.28Å; L447-H450 WeakPolarHBondContact O-CA 3.38Å; L447-H450 WeakPolarHBondContact O-CB 3.42Å; L447-H450 PolarHBondContact O-N 3.39Å; L447-Q451 HydrophobicContact CD1-CG 4.07Å; L447-Q451 HydrophobicContact CG-CG 4.49Å; L447-Q451 WeakPolarHBondContact O-CG 3.34Å; L447-Q451 PolarHBondContact O-N 3.03Å
448	I	82.1	Confident	81.3	Confident	87 Å²	87	66.2 Å²	66.2	45%	0.446	35%	0.347	S	S	.	.	H	α-helix	trans	-60.2	-40.7	177.8	-65.3	163.2	0	0	0	110.8	S444 H450 R452	S444-I448 WeakPolarHBondContact O-CG1 3.48Å; S444-I448 PolarHBondContact O-N 2.97Å; I448-H450 VanDerWaalsContact C-N 3.26Å; I448-H450 PolarHBondContact O-N 2.91Å; I448-R452 WeakPolarHBondContact O-CG 3.47Å; I448-R452 PolarHBondContact O-N 2.77Å
449	Q	82.8	Confident	81.6	Confident	80 Å²	80	67.3 Å²	67.3	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-28.6	174.3	-178.5	176.6	110.5	0	0	113	S445 H446 L447 Q471	S445-Q449 VanDerWaalsContact O-CB 3.23Å; S445-Q449 WeakPolarHBondContact O-CB 3.32Å; S445-Q449 PolarHBondContact O-N 3.47Å; S445-Q449 VanDerWaalsContact O-N 3.1Å; H446-Q449 PolarHBondContact O-N 2.99Å; L447-Q449 VanDerWaalsContact C-N 3.29Å; L447-Q449 PolarHBondContact O-N 3.26Å; Q449-Q471 HydrophobicContact CG-CG 4.29Å
450	H	83.3	Confident	81.9	Confident	13 Å²	13	68.4 Å²	68.4	6%	0.06	35%	0.349	C	S	.	.	H	α-helix	trans	-80	-40.9	177.4	174.4	59.9	0	0	0	112.6	C437 Y441 H446 L447 I448 R452 L453 H454	C437-H450 PolarHBondContact SG-NE2 3.42Å; Y441-H450 HydrophobicContact CE1-CB 4.5Å; Y441-H450 HydrophobicContact CE2-CB 3.87Å; Y441-H450 AromaticContact CE2-CD2 3.71Å; Y441-H450 AromaticContact CE2-CG 3.83Å; Y441-H450 AromaticContact CZ-CD2 3.95Å; Y441-H450 AromaticContact CZ-CG 3.67Å; Y441-H450 PolarHBondContact OH-CD2 3.31Å; Y441-H450 PolarHBondContact OH-ND1 3.2Å; H446-H450 VanDerWaalsContact O-CB 3.32Å; H446-H450 WeakPolarHBondContact O-CB 3.37Å; H446-H450 PolarHBondContact O-N 3.21Å; L447-H450 CarbonylContact O-C 3.28Å; L447-H450 WeakPolarHBondContact O-CA 3.38Å; L447-H450 WeakPolarHBondContact O-CB 3.42Å; L447-H450 PolarHBondContact O-N 3.39Å; I448-H450 VanDerWaalsContact C-N 3.26Å; I448-H450 PolarHBondContact O-N 2.91Å; H450-R452 PolarHBondContact O-N 3.46Å; H450-L453 VanDerWaalsContact O-CB 3.22Å; H450-L453 WeakPolarHBondContact O-CB 3.28Å; H450-L453 WeakPolarHBondContact O-CG 3.07Å; H450-L453 PolarHBondContact O-N 3.2Å; H450-H454 AromaticContact CD2-NE2 3.86Å; H450-H454 AromaticContact CE1-CE1 3.95Å; H450-H454 AromaticContact CE1-NE2 3.59Å; H450-H454 AromaticContact NE2-CE1 3.79Å; H450-H454 AromaticContact NE2-NE2 3.06Å; H450-H454 PolarHBondContact NE2-NE2 3.2Å
451	Q	80.9	Confident	81.9	Confident	61 Å²	61	74.3 Å²	74.3	29%	0.285	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-30.3	175.8	-72	168.4	-59.2	0	0	112.3	L447 L453 H454 N455	L447-Q451 HydrophobicContact CD1-CG 4.07Å; L447-Q451 HydrophobicContact CG-CG 4.49Å; L447-Q451 WeakPolarHBondContact O-CG 3.34Å; L447-Q451 PolarHBondContact O-N 3.03Å; Q451-L453 PolarHBondContact O-N 2.94Å; Q451-H454 PolarHBondContact O-N 2.82Å; Q451-N455 PolarHBondContact O-N 2.98Å; Q451-N455 PolarHBondContact O-OD1 3.43Å
452	R	84.6	Confident	82.2	Confident	59 Å²	59	72.2 Å²	72.2	22%	0.223	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-9.6	170	-68.9	-179.8	-176.4	175.4	2.8	115.6	I448 H450 N455 E457 T470	I448-R452 WeakPolarHBondContact O-CG 3.47Å; I448-R452 PolarHBondContact O-N 2.77Å; H450-R452 PolarHBondContact O-N 3.46Å; R452-N455 VanDerWaalsContact CA-OD1 3.25Å; R452-N455 WeakPolarHBondContact CA-OD1 3.47Å; R452-E457 HydrophobicContact CB-CB 4.42Å; R452-E457 HydrophobicContact CG-CB 4.1Å; R452-E457 PolarHBondContact O-N 3.29Å; R452-T470 HydrophobicContact CB-CG2 4.26Å; R452-T470 PolarHBondContact NH1-O 3.16Å
453	L	76.9	Confident	82.3	Confident	109 Å²	109	75.9 Å²	75.9	57%	0.571	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-29.5	173.6	-55.9	-179.7	0	0	0	112.3	H450 Q451 T470	H450-L453 VanDerWaalsContact O-CB 3.22Å; H450-L453 WeakPolarHBondContact O-CB 3.28Å; H450-L453 WeakPolarHBondContact O-CG 3.07Å; H450-L453 PolarHBondContact O-N 3.2Å; Q451-L453 PolarHBondContact O-N 2.94Å; L453-T470 HydrophobicContact CD2-CG2 4.32Å
454	H	78.1	Confident	82.4	Confident	76 Å²	76	77.3 Å²	77.3	35%	0.352	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-50.7	-179.6	-57.3	-49.8	0	0	0	111.3	E436 C437 H450 Q451 G456	E436-H454 IonicContact OE2-CD2 3.96Å; E436-H454 PolarHBondContact OE2-CD2 3.02Å; E436-H454 IonicContact OE2-CG 3.88Å; C437-H454 PolarHBondContact SG-NE2 2.81Å; C437-H454 VanDerWaalsContact SG-NE2 3.36Å; H450-H454 AromaticContact CD2-NE2 3.86Å; H450-H454 AromaticContact CE1-CE1 3.95Å; H450-H454 AromaticContact CE1-NE2 3.59Å; H450-H454 AromaticContact NE2-CE1 3.79Å; H450-H454 AromaticContact NE2-NE2 3.06Å; H450-H454 PolarHBondContact NE2-NE2 3.2Å; Q451-H454 PolarHBondContact O-N 2.82Å; H454-G456 PolarHBondContact O-N 3.03Å
455	N	79.4	Confident	82.6	Confident	85 Å²	85	76.4 Å²	76.4	46%	0.455	39%	0.388	S	S	.	.	S	Bend	trans	-74.1	-7.8	176.6	72	10.5	0	0	0	113.5	Q451 R452 E457	Q451-N455 PolarHBondContact O-N 2.98Å; Q451-N455 PolarHBondContact O-OD1 3.43Å; R452-N455 VanDerWaalsContact CA-OD1 3.25Å; R452-N455 WeakPolarHBondContact CA-OD1 3.47Å; N455-E457 WeakPolarHBondContact ND2-CG 3.42Å; N455-E457 PolarHBondContact ND2-OE2 3.12Å; N455-E457 PolarHBondContact O-N 2.89Å; N455-E457 WeakPolarHBondContact OD1-CB 3.18Å; N455-E457 VanDerWaalsContact OD1-CG 3.31Å; N455-E457 WeakPolarHBondContact OD1-CG 3.48Å; N455-E457 PolarHBondContact OD1-N 2.88Å
456	G	78.1	Confident	82.6	Confident	37 Å²	37	78.7 Å²	78.7	38%	0.381	41%	0.411	S	S	.	.			trans	72	6.1	179.1	0	0	0	0	0	116	H454 K458	H454-G456 PolarHBondContact O-N 3.03Å; G456-K458 PolarHBondContact O-N 3.46Å
457	E	78.6	Confident	82.5	Confident	99 Å²	99	80.3 Å²	80.3	46%	0.463	42%	0.417	S	S	.	.			trans	-58	121	-174.7	-81.8	179	158.1	0	0	113	R452 N455 P459 T470	R452-E457 HydrophobicContact CB-CB 4.42Å; R452-E457 HydrophobicContact CG-CB 4.1Å; R452-E457 PolarHBondContact O-N 3.29Å; N455-E457 WeakPolarHBondContact ND2-CG 3.42Å; N455-E457 PolarHBondContact ND2-OE2 3.12Å; N455-E457 PolarHBondContact O-N 2.89Å; N455-E457 WeakPolarHBondContact OD1-CB 3.18Å; N455-E457 VanDerWaalsContact OD1-CG 3.31Å; N455-E457 WeakPolarHBondContact OD1-CG 3.48Å; N455-E457 PolarHBondContact OD1-N 2.88Å; E457-P459 WeakPolarHBondContact O-CD 3.29Å; E457-T470 WeakPolarHBondContact O-CG2 3.22Å
458	K	84.6	Confident	82.5	Confident	113 Å²	113	80.9 Å²	80.9	49%	0.491	43%	0.425	S	S	.	.			trans	-123.9	76.9	177	-72.6	152.8	-176.3	164.4	0	110.1	G456 Y460 A468 F469 T470	G456-K458 PolarHBondContact O-N 3.46Å; K458-Y460 PolarHBondContact O-N 3.14Å; K458-A468 HydrophobicContact CB-CB 3.56Å; K458-A468 HydrophobicContact CD-CB 4.42Å; K458-A468 WeakPolarHBondContact CD-O 3.4Å; K458-A468 HydrophobicContact CG-CB 4.45Å; K458-F469 CarbonylContact C-O 3.21Å; K458-F469 VanDerWaalsContact C-O 3.31Å; K458-F469 VanDerWaalsContact CA-O 3.31Å; K458-F469 WeakPolarHBondContact CA-O 3.18Å; K458-T470 HydrophobicContact CG-CG2 4.11Å
459	P	85	Confident	82.7	Confident	69 Å²	69	79 Å²	79	45%	0.448	41%	0.413	S	S	.	.			trans	-62.8	-28.5	-174.7	-23	34.6	0	0	0	113.4	E457 K461	E457-P459 WeakPolarHBondContact O-CD 3.29Å; P459-K461 PolarHBondContact O-N 2.92Å
460	Y	85.5	Confident	82.8	Confident	80 Å²	80	76.5 Å²	76.5	31%	0.314	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	87.1	-173.7	-51.5	-75.9	0	0	0	109.8	K458 A468 F469 S472	K458-Y460 PolarHBondContact O-N 3.14Å; Y460-A468 WeakPolarHBondContact O-CA 3.38Å; Y460-F469 WeakPolarHBondContact CD2-O 3.39Å; Y460-F469 PolarHBondContact N-O 3.35Å; Y460-F469 VanDerWaalsContact N-O 3.15Å; Y460-F469 PolarHBondContact O-N 3.41Å; Y460-S472 VanDerWaalsContact CD2-N 3.3Å
461	K	85.3	Confident	82.8	Confident	151 Å²	151	78 Å²	78	66%	0.657	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	145.6	176	-60.4	178.4	-177.2	175.4	0	110.5	P459 A468 L475	P459-K461 PolarHBondContact O-N 2.92Å; K461-A468 HydrophobicContact CB-CB 4.44Å; K461-A468 HydrophobicContact CG-CB 3.92Å; K461-L475 VanDerWaalsContact O-CD2 3.3Å; K461-L475 WeakPolarHBondContact O-CD2 3.45Å
462	C	88.9	Confident	83	Confident	10 Å²	10	77.9 Å²	77.9	7%	0.068	42%	0.416	C	S	.	.			trans	-84.7	141.7	167.6	-172.3	0	0	0	0	109.8	C465 K467 L475	C462-C465 WeakPolarHBondContact CB-O 3.32Å; C462-K467 WeakPolarHBondContact CB-O 3.43Å; C462-K467 PolarHBondContact N-O 3.09Å; C462-L475 HydrophobicContact CB-CD1 3.68Å
463	N	84.1	Confident	83	Confident	157 Å²	157	77.8 Å²	77.8	84%	0.84	43%	0.425	S	S	*	.	S	Bend	trans	-83.9	-29.3	178.7	-63.7	-6.7	0	0	0	111.7
464	E	81	Confident	83.4	Confident	110 Å²	110	78.8 Å²	78.8	51%	0.514	42%	0.421	S	S	.	.	S	Bend	trans	-86.1	-16.4	-176.1	-62.1	157.1	139.8	0	0	113.5	H482	E464-H482 IonicContact OE2-CD2 3.33Å; E464-H482 PolarHBondContact OE2-CD2 2.59Å; E464-H482 IonicContact OE2-CG 2.64Å
465	C	85.1	Confident	83.8	Confident	38 Å²	38	76.2 Å²	76.2	26%	0.257	41%	0.409	S	S	.	.	S	Bend	trans	-157.1	160.4	171.9	79.7	0	0	0	0	111.7	C462 K467 H478	C462-C465 WeakPolarHBondContact CB-O 3.32Å; C465-K467 PolarHBondContact O-N 3.47Å; C465-H478 PolarHBondContact SG-NE2 3.49Å
466	A	81.6	Confident	84.1	Confident	112 Å²	112	76.1 Å²	76.1	93%	0.926	41%	0.408	S	S	*	.	S	Bend	trans	-68.1	19.4	-174.9	0	0	0	0	0	116.4
467	K	81.1	Confident	84.4	Confident	120 Å²	120	76.5 Å²	76.5	52%	0.522	40%	0.401	S	S	.	.			trans	-86.3	136.8	177.7	-67.7	174.4	-174	163.7	0	110.6	C462 C465 F469	C462-K467 WeakPolarHBondContact CB-O 3.43Å; C462-K467 PolarHBondContact N-O 3.09Å; C465-K467 PolarHBondContact O-N 3.47Å; K467-F469 HydrophobicContact CB-CE2 3.82Å; K467-F469 HydrophobicContact CB-CZ 3.9Å
468	A	86.5	Confident	84.7	Confident	33 Å²	33	72.4 Å²	72.4	27%	0.273	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.3	179.3	0	0	0	0	0	111.3	K458 Y460 K461	K458-A468 HydrophobicContact CB-CB 3.56Å; K458-A468 HydrophobicContact CD-CB 4.42Å; K458-A468 WeakPolarHBondContact CD-O 3.4Å; K458-A468 HydrophobicContact CG-CB 4.45Å; Y460-A468 WeakPolarHBondContact O-CA 3.38Å; K461-A468 HydrophobicContact CB-CB 4.44Å; K461-A468 HydrophobicContact CG-CB 3.92Å
469	F	85.8	Confident	84.6	Confident	48 Å²	48	70.3 Å²	70.3	21%	0.211	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.1	-167.7	-57.2	-92.3	0	0	0	112.1	K458 Y460 K467 Q471 R474 L475 H478	K458-F469 CarbonylContact C-O 3.21Å; K458-F469 VanDerWaalsContact C-O 3.31Å; K458-F469 VanDerWaalsContact CA-O 3.31Å; K458-F469 WeakPolarHBondContact CA-O 3.18Å; Y460-F469 WeakPolarHBondContact CD2-O 3.39Å; Y460-F469 PolarHBondContact N-O 3.35Å; Y460-F469 VanDerWaalsContact N-O 3.15Å; Y460-F469 PolarHBondContact O-N 3.41Å; K467-F469 HydrophobicContact CB-CE2 3.82Å; K467-F469 HydrophobicContact CB-CZ 3.9Å; F469-Q471 VanDerWaalsContact C-N 3.3Å; F469-R474 HydrophobicContact CB-CB 4.18Å; F469-R474 HydrophobicContact CD1-CB 3.87Å; F469-R474 HydrophobicContact CG-CB 4.26Å; F469-L475 HydrophobicContact CB-CB 4.49Å; F469-L475 HydrophobicContact CD2-CB 4.04Å; F469-L475 HydrophobicContact CD2-CD1 3.99Å; F469-L475 HydrophobicContact CE2-CD1 4.17Å; F469-L475 HydrophobicContact CG-CB 4.44Å; F469-H478 HydrophobicContact CE1-CB 4.18Å; F469-H478 HydrophobicContact CE2-CB 4.04Å; F469-H478 AromaticContact CE2-CD2 3.27Å; F469-H478 WeakPolarHBondContact CE2-CD2 3.39Å; F469-H478 AromaticContact CE2-CG 3.83Å; F469-H478 HydrophobicContact CZ-CB 3.62Å; F469-H478 AromaticContact CZ-CD2 3.34Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.48Å; F469-H478 AromaticContact CZ-CG 3.45Å; F469-H478 VanDerWaalsContact CZ-CG 3.45Å
470	T	83.8	Confident	84.7	Confident	26 Å²	26	69 Å²	69	16%	0.16	36%	0.36	C	S	.	.	S	Bend	trans	-78.2	-14.7	178.1	59.2	0	0	0	0	113.1	R452 L453 E457 K458	R452-T470 HydrophobicContact CB-CG2 4.26Å; R452-T470 PolarHBondContact NH1-O 3.16Å; L453-T470 HydrophobicContact CD2-CG2 4.32Å; E457-T470 WeakPolarHBondContact O-CG2 3.22Å; K458-T470 HydrophobicContact CG-CG2 4.11Å
471	Q	84.4	Confident	84.6	Confident	44 Å²	44	68.8 Å²	68.8	21%	0.206	37%	0.368	C	S	.	.	S	Bend	trans	-138	137.5	-174.8	-59	174.2	11.7	0	0	111	Q449 F469 S473 R474 L475	Q449-Q471 HydrophobicContact CG-CG 4.29Å; F469-Q471 VanDerWaalsContact C-N 3.3Å; Q471-S473 PolarHBondContact O-N 3.1Å; Q471-R474 HydrophobicContact CB-CB 4.4Å; Q471-R474 HydrophobicContact CB-CG 3.98Å; Q471-R474 PolarHBondContact O-N 3.26Å; Q471-L475 PolarHBondContact O-N 3.36Å
472	S	85.3	Confident	84.4	Confident	59 Å²	59	65.3 Å²	65.3	41%	0.413	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-38.1	178.6	51.9	0	0	0	0	113.3	Y460 R474 L475 I476	Y460-S472 VanDerWaalsContact CD2-N 3.3Å; S472-R474 PolarHBondContact O-N 2.82Å; S472-L475 WeakPolarHBondContact O-CB 3.19Å; S472-L475 PolarHBondContact O-N 2.9Å; S472-L475 VanDerWaalsContact O-N 3.08Å; S472-I476 WeakPolarHBondContact O-CG1 3.44Å; S472-I476 PolarHBondContact O-N 2.8Å
473	S	84	Confident	84.1	Confident	57 Å²	57	68.6 Å²	68.6	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-57.2	-34.3	175	54	0	0	0	0	113	Q471 D477	Q471-S473 PolarHBondContact O-N 3.1Å; S473-D477 WeakPolarHBondContact O-CB 3.46Å; S473-D477 PolarHBondContact O-N 2.96Å
474	R	85.1	Confident	84	Confident	130 Å²	130	63.4 Å²	63.4	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-77.7	-28.8	177.6	-60.6	-59.3	-167.7	118.3	7.4	112.9	F469 Q471 S472 H478	F469-R474 HydrophobicContact CB-CB 4.18Å; F469-R474 HydrophobicContact CD1-CB 3.87Å; F469-R474 HydrophobicContact CG-CB 4.26Å; Q471-R474 HydrophobicContact CB-CB 4.4Å; Q471-R474 HydrophobicContact CB-CG 3.98Å; Q471-R474 PolarHBondContact O-N 3.26Å; S472-R474 PolarHBondContact O-N 2.82Å; R474-H478 VanDerWaalsContact O-CB 3.31Å; R474-H478 WeakPolarHBondContact O-CB 3.46Å; R474-H478 PolarHBondContact O-N 3.32Å
475	L	87	Confident	84	Confident	22 Å²	22	62.8 Å²	62.8	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-46.4	168.6	173.6	61.3	0	0	0	110.5	K461 C462 F469 Q471 S472 H478 Q479	K461-L475 VanDerWaalsContact O-CD2 3.3Å; K461-L475 WeakPolarHBondContact O-CD2 3.45Å; C462-L475 HydrophobicContact CB-CD1 3.68Å; F469-L475 HydrophobicContact CB-CB 4.49Å; F469-L475 HydrophobicContact CD2-CB 4.04Å; F469-L475 HydrophobicContact CD2-CD1 3.99Å; F469-L475 HydrophobicContact CE2-CD1 4.17Å; F469-L475 HydrophobicContact CG-CB 4.44Å; Q471-L475 PolarHBondContact O-N 3.36Å; S472-L475 WeakPolarHBondContact O-CB 3.19Å; S472-L475 PolarHBondContact O-N 2.9Å; S472-L475 VanDerWaalsContact O-N 3.08Å; L475-H478 CarbonylContact O-C 3.48Å; L475-H478 WeakPolarHBondContact O-CA 3.19Å; L475-H478 WeakPolarHBondContact O-CB 3.35Å; L475-H478 PolarHBondContact O-N 3.28Å; L475-Q479 HydrophobicContact CD1-CG 4.03Å; L475-Q479 HydrophobicContact CG-CG 4.36Å; L475-Q479 WeakPolarHBondContact O-CG 3.31Å; L475-Q479 PolarHBondContact O-N 3.48Å
476	I	84.4	Confident	84.1	Confident	83 Å²	83	66.2 Å²	66.2	43%	0.426	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-47.2	178.8	-64.9	164	0	0	0	111.2	S472 H478 Q479 R480	S472-I476 WeakPolarHBondContact O-CG1 3.44Å; S472-I476 PolarHBondContact O-N 2.8Å; I476-H478 PolarHBondContact O-N 2.81Å; I476-H478 VanDerWaalsContact O-N 3.14Å; I476-Q479 PolarHBondContact O-N 3.39Å; I476-R480 PolarHBondContact O-N 3.46Å
477	D	84.9	Confident	84.4	Confident	45 Å²	45	64.4 Å²	64.4	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-17.3	173.4	-78.5	-8.4	0	0	0	113	S473 R480 I498 R499	S473-D477 WeakPolarHBondContact O-CB 3.46Å; S473-D477 PolarHBondContact O-N 2.96Å; D477-R480 IonicContact OD1-CZ 3.2Å; D477-R480 IonicContact OD1-NH1 3.11Å; D477-R480 PolarHBondContact OD1-NH1 3.37Å; D477-I498 VanDerWaalsContact O-CG2 3.29Å; D477-I498 WeakPolarHBondContact O-CG2 3.49Å; D477-R499 HydrophobicContact CB-CG 4.46Å; D477-R499 WeakPolarHBondContact OD2-CD 3.44Å; D477-R499 WeakPolarHBondContact OD2-CG 3.45Å
478	H	86.3	Confident	84.6	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.065	33%	0.334	C	S	.	.	H	α-helix	trans	-92.4	-36.9	174.2	169.6	46	0	0	0	113.1	C465 F469 R474 L475 I476 R480 T481 H482	C465-H478 PolarHBondContact SG-NE2 3.49Å; F469-H478 HydrophobicContact CE1-CB 4.18Å; F469-H478 HydrophobicContact CE2-CB 4.04Å; F469-H478 AromaticContact CE2-CD2 3.27Å; F469-H478 WeakPolarHBondContact CE2-CD2 3.39Å; F469-H478 AromaticContact CE2-CG 3.83Å; F469-H478 HydrophobicContact CZ-CB 3.62Å; F469-H478 AromaticContact CZ-CD2 3.34Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.48Å; F469-H478 AromaticContact CZ-CG 3.45Å; F469-H478 VanDerWaalsContact CZ-CG 3.45Å; R474-H478 VanDerWaalsContact O-CB 3.31Å; R474-H478 WeakPolarHBondContact O-CB 3.46Å; R474-H478 PolarHBondContact O-N 3.32Å; L475-H478 CarbonylContact O-C 3.48Å; L475-H478 WeakPolarHBondContact O-CA 3.19Å; L475-H478 WeakPolarHBondContact O-CB 3.35Å; L475-H478 PolarHBondContact O-N 3.28Å; I476-H478 PolarHBondContact O-N 2.81Å; I476-H478 VanDerWaalsContact O-N 3.14Å; H478-R480 PolarHBondContact O-N 3.2Å; H478-T481 PolarHBondContact CE1-OG1 2.84Å; H478-T481 PolarHBondContact ND1-OG1 3.38Å; H478-T481 WeakPolarHBondContact O-CA 3.24Å; H478-T481 WeakPolarHBondContact O-CB 3.46Å; H478-T481 PolarHBondContact O-N 2.62Å; H478-T481 PolarHBondContact O-OG1 2.96Å; H478-H482 AromaticContact CE1-CD2 3.94Å; H478-H482 AromaticContact CE1-CE1 3.68Å; H478-H482 AromaticContact CE1-NE2 3.16Å; H478-H482 PolarHBondContact CE1-NE2 3.49Å; H478-H482 AromaticContact NE2-NE2 3.21Å; H478-H482 PolarHBondContact NE2-NE2 3.04Å
479	Q	82.6	Confident	84.5	Confident	68 Å²	68	66.7 Å²	66.7	32%	0.318	35%	0.347	S	S	.	.	H	α-helix	trans	-59.5	-35.3	175.4	-71.4	170.8	-70.2	0	0	111	L475 I476 T481 H482 T483	L475-Q479 HydrophobicContact CD1-CG 4.03Å; L475-Q479 HydrophobicContact CG-CG 4.36Å; L475-Q479 WeakPolarHBondContact O-CG 3.31Å; L475-Q479 PolarHBondContact O-N 3.48Å; I476-Q479 PolarHBondContact O-N 3.39Å; Q479-T481 PolarHBondContact O-N 3.41Å; Q479-T481 VanDerWaalsContact O-N 3.1Å; Q479-H482 PolarHBondContact O-N 3.5Å; Q479-T483 PolarHBondContact O-N 3.24Å
480	R	86.3	Confident	84.5	Confident	41 Å²	41	64.4 Å²	64.4	16%	0.155	34%	0.337	C	S	.	.	H	α-helix	trans	-56.7	-19.5	167.7	-70.5	-170.2	-167.5	125.9	14.8	115.6	I476 D477 H478 H482 T483 G484 E485 I498	I476-R480 PolarHBondContact O-N 3.46Å; D477-R480 IonicContact OD1-CZ 3.2Å; D477-R480 IonicContact OD1-NH1 3.11Å; D477-R480 PolarHBondContact OD1-NH1 3.37Å; H478-R480 PolarHBondContact O-N 3.2Å; R480-H482 VanDerWaalsContact C-N 3.35Å; R480-T483 WeakPolarHBondContact CA-OG1 3.43Å; R480-G484 CarbonylContact O-C 3.31Å; R480-G484 WeakPolarHBondContact O-CA 3.01Å; R480-G484 PolarHBondContact O-N 3.41Å; R480-G484 VanDerWaalsContact O-N 3.16Å; R480-E485 HydrophobicContact CB-CB 4.38Å; R480-E485 WeakPolarHBondContact CB-O 3.16Å; R480-E485 HydrophobicContact CG-CB 4.01Å; R480-E485 PolarHBondContact O-N 3.19Å; R480-I498 HydrophobicContact CB-CD1 4.38Å; R480-I498 HydrophobicContact CB-CG1 4.4Å; R480-I498 HydrophobicContact CB-CG2 3.78Å; R480-I498 HydrophobicContact CG-CG2 4.5Å; R480-I498 PolarHBondContact NH1-O 3.31Å; R480-I498 VanDerWaalsContact NH1-O 3.1Å
481	T	83.4	Confident	84.5	Confident	77 Å²	77	70.5 Å²	70.5	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-80.3	-15.7	172.7	66.9	0	0	0	0	113.3	H478 Q479 I498	H478-T481 PolarHBondContact CE1-OG1 2.84Å; H478-T481 PolarHBondContact ND1-OG1 3.38Å; H478-T481 WeakPolarHBondContact O-CA 3.24Å; H478-T481 WeakPolarHBondContact O-CB 3.46Å; H478-T481 PolarHBondContact O-N 2.62Å; H478-T481 PolarHBondContact O-OG1 2.96Å; Q479-T481 PolarHBondContact O-N 3.41Å; Q479-T481 VanDerWaalsContact O-N 3.1Å; T481-I498 HydrophobicContact CG2-CD1 3.59Å
482	H	81.7	Confident	84.1	Confident	77 Å²	77	73.6 Å²	73.6	36%	0.356	38%	0.383	S	S	.	.	H	α-helix	trans	-95.6	-45.2	173.4	-58.4	-58.4	0	0	0	111.2	E464 H478 Q479 R480 G484	E464-H482 IonicContact OE2-CD2 3.33Å; E464-H482 PolarHBondContact OE2-CD2 2.59Å; E464-H482 IonicContact OE2-CG 2.64Å; H478-H482 AromaticContact CE1-CD2 3.94Å; H478-H482 AromaticContact CE1-CE1 3.68Å; H478-H482 AromaticContact CE1-NE2 3.16Å; H478-H482 PolarHBondContact CE1-NE2 3.49Å; H478-H482 AromaticContact NE2-NE2 3.21Å; H478-H482 PolarHBondContact NE2-NE2 3.04Å; Q479-H482 PolarHBondContact O-N 3.5Å; R480-H482 VanDerWaalsContact C-N 3.35Å; H482-G484 PolarHBondContact O-N 2.86Å
483	T	81.8	Confident	83.8	Confident	79 Å²	79	73.4 Å²	73.4	49%	0.485	38%	0.382	S	S	.	.	H	α-helix	trans	-73.8	-13.1	177.2	63.1	0	0	0	0	113.8	Q479 R480 E485	Q479-T483 PolarHBondContact O-N 3.24Å; R480-T483 WeakPolarHBondContact CA-OG1 3.43Å; T483-E485 PolarHBondContact O-N 3.3Å; T483-E485 WeakPolarHBondContact OG1-CG 3.16Å; T483-E485 PolarHBondContact OG1-N 2.9Å
484	G	81.3	Confident	83.6	Confident	48 Å²	48	72.7 Å²	72.7	50%	0.495	38%	0.383	S	S	.	.			trans	73.7	-2	-175.2	0	0	0	0	0	114.7	R480 H482 K486	R480-G484 CarbonylContact O-C 3.31Å; R480-G484 WeakPolarHBondContact O-CA 3.01Å; R480-G484 PolarHBondContact O-N 3.41Å; R480-G484 VanDerWaalsContact O-N 3.16Å; H482-G484 PolarHBondContact O-N 2.86Å; G484-K486 WeakPolarHBondContact O-CG 3.33Å; G484-K486 PolarHBondContact O-N 3.23Å
485	E	82.2	Confident	83.3	Confident	97 Å²	97	71.3 Å²	71.3	45%	0.453	38%	0.382	S	S	.	.			trans	-58.2	123	-177.7	-77.3	-177.5	172.5	0	0	112.6	R480 T483	R480-E485 HydrophobicContact CB-CB 4.38Å; R480-E485 WeakPolarHBondContact CB-O 3.16Å; R480-E485 HydrophobicContact CG-CB 4.01Å; R480-E485 PolarHBondContact O-N 3.19Å; T483-E485 PolarHBondContact O-N 3.3Å; T483-E485 WeakPolarHBondContact OG1-CG 3.16Å; T483-E485 PolarHBondContact OG1-N 2.9Å
486	K	87.2	Confident	83.3	Confident	111 Å²	111	71.1 Å²	71.1	48%	0.483	38%	0.384	S	S	.	.			trans	-126.7	77.1	-179	-75	157.5	152.3	-136.2	0	110.6	G484 Y488 A496 F497 I498	G484-K486 WeakPolarHBondContact O-CG 3.33Å; G484-K486 PolarHBondContact O-N 3.23Å; K486-Y488 PolarHBondContact O-N 3.33Å; K486-A496 HydrophobicContact CB-CB 3.54Å; K486-A496 HydrophobicContact CD-CB 4.1Å; K486-A496 WeakPolarHBondContact CD-O 3.46Å; K486-A496 VanDerWaalsContact CE-O 3.22Å; K486-A496 WeakPolarHBondContact CE-O 3.29Å; K486-A496 HydrophobicContact CG-CB 4.39Å; K486-A496 WeakPolarHBondContact CG-O 3.43Å; K486-A496 PolarHBondContact NZ-O 2.95Å; K486-F497 CarbonylContact C-O 3.56Å; K486-F497 WeakPolarHBondContact CA-O 3.5Å; K486-I498 HydrophobicContact CG-CG1 3.96Å
487	P	86.6	Confident	83.4	Confident	74 Å²	74	69.1 Å²	69.1	48%	0.481	37%	0.372	S	S	.	.			trans	-71.1	7.5	-168.6	-20	34.2	0	0	0	116.3
488	Y	86.6	Confident	83.4	Confident	80 Å²	80	68.7 Å²	68.7	31%	0.314	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	84.1	-175.8	-56.2	-78.8	0	0	0	109.2	K486 F497 I498 R499 S500	K486-Y488 PolarHBondContact O-N 3.33Å; Y488-F497 WeakPolarHBondContact CB-O 3.47Å; Y488-F497 WeakPolarHBondContact CD2-O 3.47Å; Y488-F497 PolarHBondContact N-O 3.45Å; Y488-F497 VanDerWaalsContact N-O 3.14Å; Y488-F497 PolarHBondContact O-N 2.58Å; Y488-I498 WeakPolarHBondContact CE2-O 3.49Å; Y488-R499 VanDerWaalsContact CD2-C 3.44Å; Y488-S500 VanDerWaalsContact CD2-N 3.26Å
489	E	84	Confident	83.3	Confident	120 Å²	120	73.8 Å²	73.8	56%	0.561	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	147.5	180	-166.5	170.1	158.2	0	0	112.7	A496 L503	E489-A496 HydrophobicContact CB-CB 4.23Å; E489-A496 HydrophobicContact CG-CB 4.2Å; E489-L503 VanDerWaalsContact O-CD2 3.32Å; E489-L503 WeakPolarHBondContact O-CD2 3.47Å
490	C	86.3	Confident	83.3	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.391	C	S	.	.			trans	-93.8	108.1	173.1	-170.4	0	0	0	0	110.9	E492 C493 G494 E495 L503 H506 H510	C490-E492 PolarHBondContact O-N 3.17Å; C490-C493 PolarHBondContact O-N 3.41Å; C490-C493 VanDerWaalsContact O-N 3.12Å; C490-G494 PolarHBondContact O-N 3.44Å; C490-E495 WeakPolarHBondContact CB-O 3.27Å; C490-E495 PolarHBondContact N-O 3.19Å; C490-L503 HydrophobicContact CB-CD1 3.55Å; C490-H506 VanDerWaalsContact SG-CD2 3.59Å; C490-H510 VanDerWaalsContact SG-CD2 3.52Å
491	N	82.4	Confident	83.1	Confident	155 Å²	155	80 Å²	80	83%	0.829	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-17.9	-179.4	-57.3	-9.6	0	0	0	114.6
492	E	77.2	Confident	83.1	Confident	108 Å²	108	77.4 Å²	77.4	51%	0.505	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-17	-175.9	-63.4	166.9	117.6	0	0	113	C490 H510	C490-E492 PolarHBondContact O-N 3.17Å; E492-H510 HydrophobicContact CB-CB 4.46Å; E492-H510 IonicContact OE2-CD2 3.16Å; E492-H510 PolarHBondContact OE2-CD2 2.84Å; E492-H510 VanDerWaalsContact OE2-CD2 3.26Å; E492-H510 IonicContact OE2-CG 3.63Å
493	C	79.2	Confident	83.2	Confident	56 Å²	56	74.7 Å²	74.7	38%	0.378	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.1	-4.9	-173.8	71.2	0	0	0	0	116.2	C490 E495 H506 H510	C490-C493 PolarHBondContact O-N 3.41Å; C490-C493 VanDerWaalsContact O-N 3.12Å; C493-E495 PolarHBondContact O-N 3.22Å; C493-E495 PolarHBondContact SG-N 3.33Å; C493-E495 VanDerWaalsContact SG-N 3.35Å; C493-H506 PolarHBondContact SG-NE2 3.21Å; C493-H510 WeakPolarHBondContact CB-NE2 3.4Å
494	G	79.6	Confident	83.1	Confident	41 Å²	41	74.8 Å²	74.8	42%	0.423	40%	0.396	S	S	.	.			trans	73.9	1.5	-175.7	0	0	0	0	0	115.4	C490 A496	C490-G494 PolarHBondContact O-N 3.44Å; G494-A496 PolarHBondContact O-N 3.1Å; G494-A496 VanDerWaalsContact O-N 3.09Å
495	E	79.3	Confident	82.9	Confident	101 Å²	101	78.9 Å²	78.9	47%	0.472	40%	0.396	S	S	.	.			trans	-66.7	113.8	175.1	-79	-132.5	116.6	0	0	110.6	C490 C493 F497 H506	C490-E495 WeakPolarHBondContact CB-O 3.27Å; C490-E495 PolarHBondContact N-O 3.19Å; C493-E495 PolarHBondContact O-N 3.22Å; C493-E495 PolarHBondContact SG-N 3.33Å; C493-E495 VanDerWaalsContact SG-N 3.35Å; E495-F497 HydrophobicContact CB-CE2 3.79Å; E495-F497 HydrophobicContact CB-CZ 3.85Å; E495-F497 WeakPolarHBondContact O-CD2 3.4Å; E495-F497 WeakPolarHBondContact O-CE2 3.37Å; E495-H506 IonicContact OE2-CE1 3.66Å; E495-H506 PolarHBondContact OE2-CE1 3.24Å; E495-H506 IonicContact OE2-ND1 2.68Å; E495-H506 PolarHBondContact OE2-ND1 3.25Å
496	A	86.2	Confident	82.8	Confident	19 Å²	19	75.1 Å²	75.1	16%	0.157	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.2	179.6	0	0	0	0	0	113.2	K486 E489 G494	K486-A496 HydrophobicContact CB-CB 3.54Å; K486-A496 HydrophobicContact CD-CB 4.1Å; K486-A496 WeakPolarHBondContact CD-O 3.46Å; K486-A496 VanDerWaalsContact CE-O 3.22Å; K486-A496 WeakPolarHBondContact CE-O 3.29Å; K486-A496 HydrophobicContact CG-CB 4.39Å; K486-A496 WeakPolarHBondContact CG-O 3.43Å; K486-A496 PolarHBondContact NZ-O 2.95Å; E489-A496 HydrophobicContact CB-CB 4.23Å; E489-A496 HydrophobicContact CG-CB 4.2Å; G494-A496 PolarHBondContact O-N 3.1Å; G494-A496 VanDerWaalsContact O-N 3.09Å
497	F	86.1	Confident	82.3	Confident	40 Å²	40	72.8 Å²	72.8	18%	0.175	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.7	-174.7	-60.6	-82.2	0	0	0	113.2	K486 Y488 E495 R499 L503 H506	K486-F497 CarbonylContact C-O 3.56Å; K486-F497 WeakPolarHBondContact CA-O 3.5Å; Y488-F497 WeakPolarHBondContact CB-O 3.47Å; Y488-F497 WeakPolarHBondContact CD2-O 3.47Å; Y488-F497 PolarHBondContact N-O 3.45Å; Y488-F497 VanDerWaalsContact N-O 3.14Å; Y488-F497 PolarHBondContact O-N 2.58Å; E495-F497 HydrophobicContact CB-CE2 3.79Å; E495-F497 HydrophobicContact CB-CZ 3.85Å; E495-F497 WeakPolarHBondContact O-CD2 3.4Å; E495-F497 WeakPolarHBondContact O-CE2 3.37Å; F497-R499 VanDerWaalsContact C-N 3.3Å; F497-R499 PolarHBondContact O-N 3.47Å; F497-L503 HydrophobicContact CB-CB 4.4Å; F497-L503 HydrophobicContact CD2-CB 3.83Å; F497-L503 HydrophobicContact CD2-CD1 3.91Å; F497-L503 HydrophobicContact CD2-CG 4.48Å; F497-L503 HydrophobicContact CE2-CD1 4.13Å; F497-L503 HydrophobicContact CG-CB 4.35Å; F497-H506 HydrophobicContact CE1-CB 4.39Å; F497-H506 HydrophobicContact CE2-CB 3.82Å; F497-H506 AromaticContact CE2-CD2 3.81Å; F497-H506 AromaticContact CE2-CG 3.63Å; F497-H506 AromaticContact CE2-ND1 3.99Å; F497-H506 HydrophobicContact CZ-CB 3.64Å; F497-H506 AromaticContact CZ-CE1 4Å; F497-H506 AromaticContact CZ-CG 3.45Å; F497-H506 VanDerWaalsContact CZ-CG 3.45Å; F497-H506 AromaticContact CZ-ND1 3.43Å; F497-H506 WeakPolarHBondContact CZ-ND1 3.48Å
498	I	84.9	Confident	81.9	Confident	37 Å²	37	70.2 Å²	70.2	19%	0.19	35%	0.352	C	S	.	.	S	Bend	trans	-73.8	-20.7	177.4	-65.2	-178.7	0	0	0	112.6	D477 R480 T481 K486 Y488	D477-I498 VanDerWaalsContact O-CG2 3.29Å; D477-I498 WeakPolarHBondContact O-CG2 3.49Å; R480-I498 HydrophobicContact CB-CD1 4.38Å; R480-I498 HydrophobicContact CB-CG1 4.4Å; R480-I498 HydrophobicContact CB-CG2 3.78Å; R480-I498 HydrophobicContact CG-CG2 4.5Å; R480-I498 PolarHBondContact NH1-O 3.31Å; R480-I498 VanDerWaalsContact NH1-O 3.1Å; T481-I498 HydrophobicContact CG2-CD1 3.59Å; K486-I498 HydrophobicContact CG-CG1 3.96Å; Y488-I498 WeakPolarHBondContact CE2-O 3.49Å
499	R	84.8	Confident	81	Confident	120 Å²	120	71.1 Å²	71.1	45%	0.453	36%	0.362	S	S	.	.	S	Bend	trans	-141.7	131.1	-173.8	-67.6	177.9	-72.3	160.1	-4.1	111.7	D477 Y488 F497 K501 S502 L503	D477-R499 HydrophobicContact CB-CG 4.46Å; D477-R499 WeakPolarHBondContact OD2-CD 3.44Å; D477-R499 WeakPolarHBondContact OD2-CG 3.45Å; Y488-R499 VanDerWaalsContact CD2-C 3.44Å; F497-R499 VanDerWaalsContact C-N 3.3Å; F497-R499 PolarHBondContact O-N 3.47Å; R499-K501 VanDerWaalsContact C-N 3.3Å; R499-K501 PolarHBondContact O-N 2.91Å; R499-S502 WeakPolarHBondContact O-CA 3.43Å; R499-S502 VanDerWaalsContact O-CB 3.29Å; R499-S502 WeakPolarHBondContact O-CB 3.42Å; R499-S502 PolarHBondContact O-N 3.11Å; R499-L503 PolarHBondContact O-N 3.17Å
500	S	82.9	Confident	80.4	Confident	54 Å²	54	70.1 Å²	70.1	38%	0.378	36%	0.357	S	S	.	.	H	α-helix	trans	-48.2	-44	176	153.6	0	0	0	0	113.9	Y488 S502 L503 V504	Y488-S500 VanDerWaalsContact CD2-N 3.26Å; S500-S502 PolarHBondContact O-N 3.49Å; S500-S502 VanDerWaalsContact O-N 3.12Å; S500-L503 WeakPolarHBondContact O-CB 3.44Å; S500-L503 PolarHBondContact O-N 2.86Å; S500-V504 PolarHBondContact O-N 3.02Å
501	K	80.8	Confident	79.7	Confident	187 Å²	187	73.5 Å²	73.5	81%	0.813	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-20	178.4	-66	-166.6	176.6	-169.1	0	114.2	R499	R499-K501 VanDerWaalsContact C-N 3.3Å; R499-K501 PolarHBondContact O-N 2.91Å
502	S	83.6	Confident	78.9	Confident	21 Å²	21	68.4 Å²	68.4	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-78.2	-44.4	170.8	-61.1	0	0	0	0	111.3	R499 S500 R505 H506	R499-S502 WeakPolarHBondContact O-CA 3.43Å; R499-S502 VanDerWaalsContact O-CB 3.29Å; R499-S502 WeakPolarHBondContact O-CB 3.42Å; R499-S502 PolarHBondContact O-N 3.11Å; S500-S502 PolarHBondContact O-N 3.49Å; S500-S502 VanDerWaalsContact O-N 3.12Å; S502-R505 PolarHBondContact O-N 2.84Å; S502-H506 PolarHBondContact O-N 2.95Å
503	L	83.5	Confident	78.4	Confident	20 Å²	20	70.8 Å²	70.8	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-50.6	176.4	172	62.1	0	0	0	111.3	E489 C490 F497 R499 S500 R505 H506 Q507	E489-L503 VanDerWaalsContact O-CD2 3.32Å; E489-L503 WeakPolarHBondContact O-CD2 3.47Å; C490-L503 HydrophobicContact CB-CD1 3.55Å; F497-L503 HydrophobicContact CB-CB 4.4Å; F497-L503 HydrophobicContact CD2-CB 3.83Å; F497-L503 HydrophobicContact CD2-CD1 3.91Å; F497-L503 HydrophobicContact CD2-CG 4.48Å; F497-L503 HydrophobicContact CE2-CD1 4.13Å; F497-L503 HydrophobicContact CG-CB 4.35Å; R499-L503 PolarHBondContact O-N 3.17Å; S500-L503 WeakPolarHBondContact O-CB 3.44Å; S500-L503 PolarHBondContact O-N 2.86Å; L503-R505 PolarHBondContact O-N 3.22Å; L503-H506 CarbonylContact O-C 3.22Å; L503-H506 WeakPolarHBondContact O-CA 3.48Å; L503-H506 WeakPolarHBondContact O-CB 3.32Å; L503-H506 PolarHBondContact O-N 3.14Å; L503-Q507 HydrophobicContact CD1-CG 3.93Å; L503-Q507 HydrophobicContact CG-CG 4.32Å; L503-Q507 WeakPolarHBondContact O-CG 3.33Å; L503-Q507 PolarHBondContact O-N 3.32Å
504	V	80.1	Confident	78.2	Confident	82 Å²	82	71.5 Å²	71.5	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-57.3	-37.8	179.1	175.2	0	0	0	0	111.8	S500 H506 V508	S500-V504 PolarHBondContact O-N 3.02Å; V504-H506 VanDerWaalsContact C-N 3.34Å; V504-V508 WeakPolarHBondContact O-CG2 3.44Å
505	R	78.1	Confident	78.1	Confident	134 Å²	134	73.5 Å²	73.5	51%	0.506	37%	0.373	S	S	.	.	H	α-helix	trans	-73.5	-24.3	175.7	-173.3	-176.4	62.7	174.9	0.6	113.1	S502 L503 C526	S502-R505 PolarHBondContact O-N 2.84Å; L503-R505 PolarHBondContact O-N 3.22Å; R505-C526 HydrophobicContact CG-CB 4.28Å
506	H	79.8	Confident	78.1	Confident	18 Å²	18	73.1 Å²	73.1	8%	0.083	37%	0.368	C	S	.	.	H	α-helix	trans	-81	-39.4	175.4	169.2	100.4	0	0	0	111.6	C490 C493 E495 F497 S502 L503 V504 V508 L509 H510	C490-H506 VanDerWaalsContact SG-CD2 3.59Å; C493-H506 PolarHBondContact SG-NE2 3.21Å; E495-H506 IonicContact OE2-CE1 3.66Å; E495-H506 PolarHBondContact OE2-CE1 3.24Å; E495-H506 IonicContact OE2-ND1 2.68Å; E495-H506 PolarHBondContact OE2-ND1 3.25Å; F497-H506 HydrophobicContact CE1-CB 4.39Å; F497-H506 HydrophobicContact CE2-CB 3.82Å; F497-H506 AromaticContact CE2-CD2 3.81Å; F497-H506 AromaticContact CE2-CG 3.63Å; F497-H506 AromaticContact CE2-ND1 3.99Å; F497-H506 HydrophobicContact CZ-CB 3.64Å; F497-H506 AromaticContact CZ-CE1 4Å; F497-H506 AromaticContact CZ-CG 3.45Å; F497-H506 VanDerWaalsContact CZ-CG 3.45Å; F497-H506 AromaticContact CZ-ND1 3.43Å; F497-H506 WeakPolarHBondContact CZ-ND1 3.48Å; S502-H506 PolarHBondContact O-N 2.95Å; L503-H506 CarbonylContact O-C 3.22Å; L503-H506 WeakPolarHBondContact O-CA 3.48Å; L503-H506 WeakPolarHBondContact O-CB 3.32Å; L503-H506 PolarHBondContact O-N 3.14Å; V504-H506 VanDerWaalsContact C-N 3.34Å; H506-V508 PolarHBondContact O-N 3.27Å; H506-V508 VanDerWaalsContact O-N 3.12Å; H506-L509 WeakPolarHBondContact O-CB 3.28Å; H506-L509 VanDerWaalsContact O-CG 3.29Å; H506-L509 WeakPolarHBondContact O-CG 3.42Å; H506-L509 PolarHBondContact O-N 3.07Å; H506-H510 AromaticContact NE2-CD2 3.91Å; H506-H510 AromaticContact NE2-NE2 3.95Å
507	Q	76.5	Confident	77.9	Confident	62 Å²	62	79.2 Å²	79.2	29%	0.29	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-24.1	175	-69.5	170.5	-58.8	0	0	113.2	L503 L509 H510 T511	L503-Q507 HydrophobicContact CD1-CG 3.93Å; L503-Q507 HydrophobicContact CG-CG 4.32Å; L503-Q507 WeakPolarHBondContact O-CG 3.33Å; L503-Q507 PolarHBondContact O-N 3.32Å; Q507-L509 PolarHBondContact O-N 3.28Å; Q507-H510 PolarHBondContact O-N 2.96Å; Q507-T511 WeakPolarHBondContact O-CG2 3.41Å; Q507-T511 PolarHBondContact O-N 2.59Å; Q507-T511 PolarHBondContact O-OG1 3.46Å
508	V	78	Confident	77.9	Confident	19 Å²	19	77.4 Å²	77.4	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-17.8	170.3	171.3	0	0	0	0	113.3	V504 H506 K514 C526	V504-V508 WeakPolarHBondContact O-CG2 3.44Å; H506-V508 PolarHBondContact O-N 3.27Å; H506-V508 VanDerWaalsContact O-N 3.12Å; V508-K514 HydrophobicContact CG1-CB 4.31Å; V508-K514 HydrophobicContact CG1-CG 4.06Å; V508-C526 HydrophobicContact CB-CB 4.19Å; V508-C526 HydrophobicContact CG1-CB 3.59Å
509	L	68.4	Low	77.9	Confident	99 Å²	99	82.9 Å²	82.9	52%	0.518	41%	0.412	S	S	.	.	H	α-helix	trans	-76.7	-47	173.8	-56.2	175	0	0	0	111.2	H506 Q507	H506-L509 WeakPolarHBondContact O-CB 3.28Å; H506-L509 VanDerWaalsContact O-CG 3.29Å; H506-L509 WeakPolarHBondContact O-CG 3.42Å; H506-L509 PolarHBondContact O-N 3.07Å; Q507-L509 PolarHBondContact O-N 3.28Å
510	H	71.8	Confident	77.8	Confident	99 Å²	99	82.6 Å²	82.6	46%	0.458	42%	0.416	S	S	.	.	H	α-helix	trans	-70.6	-48.4	179.6	-55.8	-50.2	0	0	0	112.3	C490 E492 C493 H506 Q507 G512	C490-H510 VanDerWaalsContact SG-CD2 3.52Å; E492-H510 HydrophobicContact CB-CB 4.46Å; E492-H510 IonicContact OE2-CD2 3.16Å; E492-H510 PolarHBondContact OE2-CD2 2.84Å; E492-H510 VanDerWaalsContact OE2-CD2 3.26Å; E492-H510 IonicContact OE2-CG 3.63Å; C493-H510 WeakPolarHBondContact CB-NE2 3.4Å; H506-H510 AromaticContact NE2-CD2 3.91Å; H506-H510 AromaticContact NE2-NE2 3.95Å; Q507-H510 PolarHBondContact O-N 2.96Å; H510-G512 PolarHBondContact O-N 2.8Å; H510-G512 VanDerWaalsContact O-N 3.14Å
511	T	69.8	Low	77.7	Confident	71 Å²	71	82.2 Å²	82.2	44%	0.436	41%	0.413	S	S	.	.	S	Bend	trans	-69.6	-10.1	-177.1	55.7	0	0	0	0	114	Q507 K513	Q507-T511 WeakPolarHBondContact O-CG2 3.41Å; Q507-T511 PolarHBondContact O-N 2.59Å; Q507-T511 PolarHBondContact O-OG1 3.46Å; T511-K513 PolarHBondContact O-N 3.21Å
512	G	66.1	Low	77.5	Confident	48 Å²	48	76 Å²	76	50%	0.495	40%	0.402	S	S	.	.			trans	65.2	-16	-175.9	0	0	0	0	0	115.6	H510 K514	H510-G512 PolarHBondContact O-N 2.8Å; H510-G512 VanDerWaalsContact O-N 3.14Å; G512-K514 PolarHBondContact O-N 3.31Å
513	K	67.4	Low	77.2	Confident	158 Å²	158	83.1 Å²	83.1	69%	0.687	43%	0.426	S	S	*	.			trans	-74	59.9	-176.9	-69.5	180	-178.5	-178	0	112.1	T511 P515	T511-K513 PolarHBondContact O-N 3.21Å; K513-P515 WeakPolarHBondContact O-CD 3.46Å; K513-P515 WeakPolarHBondContact O-CG 3.4Å; K513-P515 VanDerWaalsContact O-N 3.15Å
514	K	75.6	Confident	77	Confident	72 Å²	72	83.6 Å²	83.6	31%	0.313	43%	0.432	S	S	.	.			trans	-60.2	103.7	171.6	-63.6	176.6	-162.7	170.7	0	109.1	V508 G512 Y516 A524 F525	V508-K514 HydrophobicContact CG1-CB 4.31Å; V508-K514 HydrophobicContact CG1-CG 4.06Å; G512-K514 PolarHBondContact O-N 3.31Å; K514-Y516 VanDerWaalsContact C-N 3.3Å; K514-Y516 PolarHBondContact O-N 3.16Å; K514-A524 HydrophobicContact CB-CB 3.53Å; K514-A524 HydrophobicContact CD-CB 4.2Å; K514-A524 WeakPolarHBondContact CD-O 3.48Å; K514-A524 HydrophobicContact CG-CB 4.48Å; K514-F525 CarbonylContact C-O 3.53Å
515	P	76.3	Confident	76.9	Confident	83 Å²	83	81.7 Å²	81.7	54%	0.539	42%	0.417	S	S	.	.	S	Bend	trans	-72.2	-22	-163.9	-20.6	33.7	0	0	0	114.4	K513	K513-P515 WeakPolarHBondContact O-CD 3.46Å; K513-P515 WeakPolarHBondContact O-CG 3.4Å; K513-P515 VanDerWaalsContact O-N 3.15Å
516	Y	80.4	Confident	76.8	Confident	93 Å²	93	76.9 Å²	76.9	37%	0.365	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	89.5	-172.2	-56.9	-80.4	0	0	0	109.2	K514 A524 F525 S527 N528	K514-Y516 VanDerWaalsContact C-N 3.3Å; K514-Y516 PolarHBondContact O-N 3.16Å; Y516-A524 CarbonylContact O-C 3.47Å; Y516-A524 WeakPolarHBondContact O-CA 3.46Å; Y516-F525 PolarHBondContact N-O 3.24Å; Y516-F525 PolarHBondContact O-N 3.18Å; Y516-S527 VanDerWaalsContact CD2-CA 3.42Å; Y516-N528 HydrophobicContact CD1-CB 3.72Å; Y516-N528 WeakPolarHBondContact CD1-OD1 3.37Å; Y516-N528 HydrophobicContact CE1-CB 3.59Å; Y516-N528 HydrophobicContact CG-CB 4.33Å
517	K	80.6	Confident	76.7	Confident	147 Å²	147	77.1 Å²	77.1	64%	0.639	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.6	178.5	-62.8	-172	176.5	-178	0	111.5	A524 L531	K517-A524 HydrophobicContact CG-CB 3.94Å; K517-L531 WeakPolarHBondContact O-CD2 3.4Å
518	C	86.5	Confident	76.9	Confident	2 Å²	2	78 Å²	78	1%	0.014	41%	0.414	C	S	.	.			trans	-87.8	122.9	168.7	-174.7	0	0	0	0	109.5	E520 G522 R523 F525 L531	C518-E520 VanDerWaalsContact C-N 3.27Å; C518-E520 PolarHBondContact O-N 3.14Å; C518-G522 VanDerWaalsContact O-CA 3.26Å; C518-G522 WeakPolarHBondContact O-CA 3.43Å; C518-G522 PolarHBondContact O-N 3.26Å; C518-R523 VanDerWaalsContact CB-O 3.28Å; C518-R523 WeakPolarHBondContact CB-O 3.46Å; C518-R523 PolarHBondContact N-O 3.11Å; C518-F525 HydrophobicContact CB-CE2 4.38Å; C518-L531 HydrophobicContact CB-CD1 3.65Å
519	N	84.8	Confident	77.1	Confident	152 Å²	152	84.7 Å²	84.7	81%	0.813	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-23.4	-176.6	-63.4	-10.5	0	0	0	112.9
520	E	82.4	Confident	77.8	Confident	113 Å²	113	83.2 Å²	83.2	53%	0.528	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-26.8	-173	-69.1	149.4	-136	0	0	113.5	C518 H538	C518-E520 VanDerWaalsContact C-N 3.27Å; C518-E520 PolarHBondContact O-N 3.14Å; E520-H538 WeakPolarHBondContact OE2-CB 3.44Å; E520-H538 IonicContact OE2-CD2 2.66Å; E520-H538 PolarHBondContact OE2-CD2 2.85Å; E520-H538 IonicContact OE2-CG 2.76Å
521	C	82.1	Confident	78.5	Confident	47 Å²	47	79.2 Å²	79.2	32%	0.318	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	8.7	-178.3	72.3	0	0	0	0	114.6	R523 H534 H538	C521-R523 PolarHBondContact O-N 2.74Å; C521-H534 PolarHBondContact SG-NE2 2.94Å; C521-H538 WeakPolarHBondContact CB-NE2 3.44Å; C521-H538 PolarHBondContact SG-NE2 3.15Å; C521-H538 VanDerWaalsContact SG-NE2 3.4Å
522	G	76.1	Confident	79.2	Confident	56 Å²	56	79 Å²	79	58%	0.577	41%	0.408	S	S	*	.			trans	69.4	-15.6	180	0	0	0	0	0	116	C518 A524	C518-G522 VanDerWaalsContact O-CA 3.26Å; C518-G522 WeakPolarHBondContact O-CA 3.43Å; C518-G522 PolarHBondContact O-N 3.26Å; G522-A524 PolarHBondContact O-N 2.89Å
523	R	76.3	Confident	80.1	Confident	171 Å²	171	77.6 Å²	77.6	65%	0.645	39%	0.389	S	S	*	.			trans	-58.5	134	-177	-70.1	-176.7	170.4	-163.4	-4.8	111.3	C518 C521 F525	C518-R523 VanDerWaalsContact CB-O 3.28Å; C518-R523 WeakPolarHBondContact CB-O 3.46Å; C518-R523 PolarHBondContact N-O 3.11Å; C521-R523 PolarHBondContact O-N 2.74Å; R523-F525 HydrophobicContact CB-CE2 3.89Å; R523-F525 HydrophobicContact CB-CZ 4.05Å; R523-F525 WeakPolarHBondContact O-CE2 3.34Å
524	A	79.3	Confident	80.9	Confident	29 Å²	29	70.7 Å²	70.7	24%	0.24	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147	-174.8	0	0	0	0	0	112.2	K514 Y516 K517 G522	K514-A524 HydrophobicContact CB-CB 3.53Å; K514-A524 HydrophobicContact CD-CB 4.2Å; K514-A524 WeakPolarHBondContact CD-O 3.48Å; K514-A524 HydrophobicContact CG-CB 4.48Å; Y516-A524 CarbonylContact O-C 3.47Å; Y516-A524 WeakPolarHBondContact O-CA 3.46Å; K517-A524 HydrophobicContact CG-CB 3.94Å; G522-A524 PolarHBondContact O-N 2.89Å
525	F	79.3	Confident	81.4	Confident	42 Å²	42	70.2 Å²	70.2	18%	0.184	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.5	-171.2	-61.4	-89.1	0	0	0	112.5	K514 Y516 C518 R523 S527 N530 L531 H534	K514-F525 CarbonylContact C-O 3.53Å; Y516-F525 PolarHBondContact N-O 3.24Å; Y516-F525 PolarHBondContact O-N 3.18Å; C518-F525 HydrophobicContact CB-CE2 4.38Å; R523-F525 HydrophobicContact CB-CE2 3.89Å; R523-F525 HydrophobicContact CB-CZ 4.05Å; R523-F525 WeakPolarHBondContact O-CE2 3.34Å; F525-S527 VanDerWaalsContact C-N 3.32Å; F525-S527 PolarHBondContact O-N 2.84Å; F525-N530 HydrophobicContact CB-CB 4.15Å; F525-N530 HydrophobicContact CD1-CB 3.97Å; F525-N530 HydrophobicContact CG-CB 4.35Å; F525-L531 HydrophobicContact CB-CB 4.37Å; F525-L531 HydrophobicContact CD2-CB 4.13Å; F525-L531 HydrophobicContact CD2-CD1 3.96Å; F525-L531 HydrophobicContact CE2-CD1 4.25Å; F525-L531 HydrophobicContact CG-CB 4.4Å; F525-H534 HydrophobicContact CE1-CB 4.08Å; F525-H534 HydrophobicContact CE2-CB 4.2Å; F525-H534 AromaticContact CE2-CD2 3.16Å; F525-H534 WeakPolarHBondContact CE2-CD2 3.26Å; F525-H534 AromaticContact CE2-CG 3.84Å; F525-H534 AromaticContact CE2-NE2 3.85Å; F525-H534 HydrophobicContact CZ-CB 3.72Å; F525-H534 AromaticContact CZ-CD2 3.16Å; F525-H534 WeakPolarHBondContact CZ-CD2 3.35Å; F525-H534 AromaticContact CZ-CG 3.39Å; F525-H534 AromaticContact CZ-NE2 3.78Å
526	C	75.4	Confident	82	Confident	33 Å²	33	68 Å²	68	22%	0.223	34%	0.338	C	S	.	.	S	Bend	trans	-82.3	-1.8	179.5	63.5	0	0	0	0	114.6	R505 V508	R505-C526 HydrophobicContact CG-CB 4.28Å; V508-C526 HydrophobicContact CB-CB 4.19Å; V508-C526 HydrophobicContact CG1-CB 3.59Å
527	S	78.4	Confident	82.2	Confident	24 Å²	24	66.4 Å²	66.4	17%	0.168	34%	0.339	C	S	.	.	S	Bend	trans	-157.6	147.5	172.3	66.5	0	0	0	0	112.1	Y516 F525 R529 N530 L531	Y516-S527 VanDerWaalsContact CD2-CA 3.42Å; F525-S527 VanDerWaalsContact C-N 3.32Å; F525-S527 PolarHBondContact O-N 2.84Å; S527-R529 PolarHBondContact O-N 2.96Å; S527-N530 PolarHBondContact O-N 2.98Å; S527-N530 PolarHBondContact OG-OD1 3.08Å; S527-L531 PolarHBondContact O-N 2.99Å
528	N	81.1	Confident	82.4	Confident	79 Å²	79	64 Å²	64	42%	0.422	33%	0.33	S	S	.	.	H	α-helix	trans	-56.2	-37.2	-178	-160.7	53	0	0	0	113.3	Y516 N530 L531 I532	Y516-N528 HydrophobicContact CD1-CB 3.72Å; Y516-N528 WeakPolarHBondContact CD1-OD1 3.37Å; Y516-N528 HydrophobicContact CE1-CB 3.59Å; Y516-N528 HydrophobicContact CG-CB 4.33Å; N528-N530 VanDerWaalsContact C-N 3.3Å; N528-N530 PolarHBondContact O-N 3.11Å; N528-L531 WeakPolarHBondContact O-CB 3.43Å; N528-L531 PolarHBondContact O-N 3.24Å; N528-I532 WeakPolarHBondContact O-CG1 3.48Å; N528-I532 PolarHBondContact O-N 3.18Å
529	R	81.7	Confident	82.3	Confident	160 Å²	160	67.6 Å²	67.6	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-39.8	176.6	179.6	174.2	178.4	143.8	6.2	112.2	S527 L531 I532 D533	S527-R529 PolarHBondContact O-N 2.96Å; R529-L531 VanDerWaalsContact C-N 3.31Å; R529-I532 PolarHBondContact O-N 2.95Å; R529-D533 IonicContact NE-OD2 3.51Å; R529-D533 PolarHBondContact NE-OD2 3.41Å; R529-D533 IonicContact NH2-OD2 2.68Å; R529-D533 VanDerWaalsContact O-CB 3.26Å; R529-D533 WeakPolarHBondContact O-CB 3.44Å; R529-D533 PolarHBondContact O-N 3.3Å
530	N	82.8	Confident	82.4	Confident	69 Å²	69	62.4 Å²	62.4	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-70.8	-30.7	179.5	-67.3	6.1	0	0	0	111.6	F525 S527 N528 H534	F525-N530 HydrophobicContact CB-CB 4.15Å; F525-N530 HydrophobicContact CD1-CB 3.97Å; F525-N530 HydrophobicContact CG-CB 4.35Å; S527-N530 PolarHBondContact O-N 2.98Å; S527-N530 PolarHBondContact OG-OD1 3.08Å; N528-N530 VanDerWaalsContact C-N 3.3Å; N528-N530 PolarHBondContact O-N 3.11Å; N530-H534 VanDerWaalsContact O-CB 3.27Å; N530-H534 WeakPolarHBondContact O-CB 3.4Å; N530-H534 PolarHBondContact O-N 2.64Å
531	L	85.5	Confident	82.5	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-49.9	171	172.9	61.1	0	0	0	110.8	K517 C518 F525 S527 N528 R529 D533 H534 Q535	K517-L531 WeakPolarHBondContact O-CD2 3.4Å; C518-L531 HydrophobicContact CB-CD1 3.65Å; F525-L531 HydrophobicContact CB-CB 4.37Å; F525-L531 HydrophobicContact CD2-CB 4.13Å; F525-L531 HydrophobicContact CD2-CD1 3.96Å; F525-L531 HydrophobicContact CE2-CD1 4.25Å; F525-L531 HydrophobicContact CG-CB 4.4Å; S527-L531 PolarHBondContact O-N 2.99Å; N528-L531 WeakPolarHBondContact O-CB 3.43Å; N528-L531 PolarHBondContact O-N 3.24Å; R529-L531 VanDerWaalsContact C-N 3.31Å; L531-D533 PolarHBondContact O-N 3.08Å; L531-H534 CarbonylContact O-C 3.57Å; L531-H534 WeakPolarHBondContact O-CA 3.44Å; L531-H534 WeakPolarHBondContact O-CB 3.32Å; L531-H534 PolarHBondContact O-N 2.89Å; L531-Q535 HydrophobicContact CD1-CG 4.02Å; L531-Q535 HydrophobicContact CG-CG 4.41Å; L531-Q535 WeakPolarHBondContact O-CG 3.49Å; L531-Q535 PolarHBondContact O-N 3.07Å
532	I	85.2	Confident	82.8	Confident	66 Å²	66	62 Å²	62	34%	0.338	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-47.7	177.2	-65	165.9	0	0	0	111.2	N528 R529 H534 Q535 R536	N528-I532 WeakPolarHBondContact O-CG1 3.48Å; N528-I532 PolarHBondContact O-N 3.18Å; R529-I532 PolarHBondContact O-N 2.95Å; I532-H534 PolarHBondContact O-N 2.79Å; I532-Q535 PolarHBondContact O-N 3.05Å; I532-R536 PolarHBondContact O-N 3.15Å
533	D	84.1	Confident	83.4	Confident	18 Å²	18	63 Å²	63	10%	0.096	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-1.7	175.1	-77.4	-20.2	0	0	0	112.7	R529 L531 R536 R555	R529-D533 IonicContact NE-OD2 3.51Å; R529-D533 PolarHBondContact NE-OD2 3.41Å; R529-D533 IonicContact NH2-OD2 2.68Å; R529-D533 VanDerWaalsContact O-CB 3.26Å; R529-D533 WeakPolarHBondContact O-CB 3.44Å; R529-D533 PolarHBondContact O-N 3.3Å; L531-D533 PolarHBondContact O-N 3.08Å; D533-R536 IonicContact OD1-CZ 2.62Å; D533-R536 IonicContact OD1-NH1 2.59Å; D533-R536 PolarHBondContact OD1-NH1 3.3Å; D533-R536 IonicContact OD1-NH2 3.99Å; D533-R555 PolarHBondContact O-NE 3.34Å; D533-R555 PolarHBondContact O-NH2 3.3Å
534	H	85.6	Confident	84	Confident	14 Å²	14	58.3 Å²	58.3	7%	0.065	31%	0.306	C	S	.	.	H	α-helix	trans	-108.5	-37.3	170.4	164.6	54.3	0	0	0	113.4	C521 F525 N530 L531 I532 R536 T537 H538	C521-H534 PolarHBondContact SG-NE2 2.94Å; F525-H534 HydrophobicContact CE1-CB 4.08Å; F525-H534 HydrophobicContact CE2-CB 4.2Å; F525-H534 AromaticContact CE2-CD2 3.16Å; F525-H534 WeakPolarHBondContact CE2-CD2 3.26Å; F525-H534 AromaticContact CE2-CG 3.84Å; F525-H534 AromaticContact CE2-NE2 3.85Å; F525-H534 HydrophobicContact CZ-CB 3.72Å; F525-H534 AromaticContact CZ-CD2 3.16Å; F525-H534 WeakPolarHBondContact CZ-CD2 3.35Å; F525-H534 AromaticContact CZ-CG 3.39Å; F525-H534 AromaticContact CZ-NE2 3.78Å; N530-H534 VanDerWaalsContact O-CB 3.27Å; N530-H534 WeakPolarHBondContact O-CB 3.4Å; N530-H534 PolarHBondContact O-N 2.64Å; L531-H534 CarbonylContact O-C 3.57Å; L531-H534 WeakPolarHBondContact O-CA 3.44Å; L531-H534 WeakPolarHBondContact O-CB 3.32Å; L531-H534 PolarHBondContact O-N 2.89Å; I532-H534 PolarHBondContact O-N 2.79Å; H534-R536 PolarHBondContact O-N 3.26Å; H534-R536 VanDerWaalsContact O-N 3.16Å; H534-T537 PolarHBondContact ND1-OG1 3.46Å; H534-T537 VanDerWaalsContact ND1-OG1 3.12Å; H534-T537 WeakPolarHBondContact O-CA 3.37Å; H534-T537 WeakPolarHBondContact O-CB 3.46Å; H534-T537 PolarHBondContact O-N 3.18Å; H534-T537 PolarHBondContact O-OG1 2.8Å; H534-H538 AromaticContact CE1-NE2 3.51Å
535	Q	84.9	Confident	84.4	Confident	61 Å²	61	63 Å²	63	29%	0.285	32%	0.323	S	S	.	.	H	α-helix	trans	-57.1	-32	176.3	-72.9	173.3	-74.7	0	0	111.6	L531 I532 T537 H538 T539	L531-Q535 HydrophobicContact CD1-CG 4.02Å; L531-Q535 HydrophobicContact CG-CG 4.41Å; L531-Q535 WeakPolarHBondContact O-CG 3.49Å; L531-Q535 PolarHBondContact O-N 3.07Å; I532-Q535 PolarHBondContact O-N 3.05Å; Q535-T537 PolarHBondContact O-N 3.29Å; Q535-H538 PolarHBondContact O-N 2.94Å; Q535-T539 PolarHBondContact O-N 3.15Å; Q535-T539 PolarHBondContact O-OG1 2.84Å
536	R	88.8	Confident	85	Confident	36 Å²	36	61 Å²	61	14%	0.136	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-15	169.2	-61.6	-164	-167.5	109.9	16.2	115.6	I532 D533 H534 G540 E541 S554	I532-R536 PolarHBondContact O-N 3.15Å; D533-R536 IonicContact OD1-CZ 2.62Å; D533-R536 IonicContact OD1-NH1 2.59Å; D533-R536 PolarHBondContact OD1-NH1 3.3Å; D533-R536 IonicContact OD1-NH2 3.99Å; H534-R536 PolarHBondContact O-N 3.26Å; H534-R536 VanDerWaalsContact O-N 3.16Å; R536-G540 CarbonylContact O-C 3.58Å; R536-G540 WeakPolarHBondContact O-CA 3.37Å; R536-G540 PolarHBondContact O-N 2.93Å; R536-E541 HydrophobicContact CB-CB 4.18Å; R536-E541 HydrophobicContact CG-CB 3.88Å; R536-E541 IonicContact NE-OE2 3.37Å; R536-E541 PolarHBondContact O-N 2.92Å; R536-S554 WeakPolarHBondContact CD-O 3.2Å; R536-S554 PolarHBondContact NH1-O 3.21Å
537	T	86.4	Confident	85.6	Confident	61 Å²	61	64.7 Å²	64.7	37%	0.374	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.1	172.5	66.4	0	0	0	0	113.1	H534 Q535	H534-T537 PolarHBondContact ND1-OG1 3.46Å; H534-T537 VanDerWaalsContact ND1-OG1 3.12Å; H534-T537 WeakPolarHBondContact O-CA 3.37Å; H534-T537 WeakPolarHBondContact O-CB 3.46Å; H534-T537 PolarHBondContact O-N 3.18Å; H534-T537 PolarHBondContact O-OG1 2.8Å; Q535-T537 PolarHBondContact O-N 3.29Å
538	H	84.4	Confident	86	Confident	96 Å²	96	68.9 Å²	68.9	44%	0.444	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-46.3	174.8	-53.7	-44.7	0	0	0	111.2	E520 C521 H534 Q535 G540	E520-H538 WeakPolarHBondContact OE2-CB 3.44Å; E520-H538 IonicContact OE2-CD2 2.66Å; E520-H538 PolarHBondContact OE2-CD2 2.85Å; E520-H538 IonicContact OE2-CG 2.76Å; C521-H538 WeakPolarHBondContact CB-NE2 3.44Å; C521-H538 PolarHBondContact SG-NE2 3.15Å; C521-H538 VanDerWaalsContact SG-NE2 3.4Å; H534-H538 AromaticContact CE1-NE2 3.51Å; Q535-H538 PolarHBondContact O-N 2.94Å; H538-G540 PolarHBondContact O-N 3.44Å
539	T	85	Confident	86.3	Confident	78 Å²	78	67.8 Å²	67.8	48%	0.479	36%	0.355	S	S	.	.	S	Bend	trans	-73	-12.4	176.7	65.3	0	0	0	0	113.5	Q535 E541	Q535-T539 PolarHBondContact O-N 3.15Å; Q535-T539 PolarHBondContact O-OG1 2.84Å; T539-E541 PolarHBondContact O-N 3.05Å; T539-E541 WeakPolarHBondContact OG1-CG 3.42Å; T539-E541 PolarHBondContact OG1-N 3.31Å
540	G	84.9	Confident	86.4	Confident	43 Å²	43	62.3 Å²	62.3	44%	0.443	35%	0.348	S	S	.	.			trans	71.8	0.7	-176.2	0	0	0	0	0	114.7	R536 H538 K542	R536-G540 CarbonylContact O-C 3.58Å; R536-G540 WeakPolarHBondContact O-CA 3.37Å; R536-G540 PolarHBondContact O-N 2.93Å; H538-G540 PolarHBondContact O-N 3.44Å; G540-K542 WeakPolarHBondContact O-CG 3.23Å; G540-K542 PolarHBondContact O-N 2.83Å
541	E	85.2	Confident	86.6	Confident	102 Å²	102	65 Å²	65	48%	0.477	36%	0.357	S	S	.	.			trans	-54.7	127.3	-175.3	-85.1	176.7	-147.8	0	0	113.7	R536 T539 S554	R536-E541 HydrophobicContact CB-CB 4.18Å; R536-E541 HydrophobicContact CG-CB 3.88Å; R536-E541 IonicContact NE-OE2 3.37Å; R536-E541 PolarHBondContact O-N 2.92Å; T539-E541 PolarHBondContact O-N 3.05Å; T539-E541 WeakPolarHBondContact OG1-CG 3.42Å; T539-E541 PolarHBondContact OG1-N 3.31Å; E541-S554 WeakPolarHBondContact O-CB 3.24Å
542	K	88.6	Confident	86.8	Confident	50 Å²	50	65.6 Å²	65.6	22%	0.217	36%	0.364	C	S	.	.			trans	-126.3	72	178.5	-68.7	157.2	-169.3	177.2	0	111.7	E303 G540 Y544 A552 F553	E303-K542 WeakPolarHBondContact OE2-CD 3.43Å; E303-K542 IonicContact OE2-NZ 3.12Å; E303-K542 PolarHBondContact OE2-NZ 3.42Å; G540-K542 WeakPolarHBondContact O-CG 3.23Å; G540-K542 PolarHBondContact O-N 2.83Å; K542-Y544 PolarHBondContact O-N 2.97Å; K542-A552 HydrophobicContact CB-CB 3.46Å; K542-A552 VanDerWaalsContact CB-CB 3.46Å; K542-A552 HydrophobicContact CD-CB 4.12Å; K542-A552 WeakPolarHBondContact CD-O 3.48Å; K542-A552 HydrophobicContact CG-CB 4.33Å; K542-F553 CarbonylContact C-O 3.55Å; K542-F553 VanDerWaalsContact CA-O 3.31Å; K542-F553 WeakPolarHBondContact CA-O 3.29Å
543	P	88.1	Confident	86.9	Confident	75 Å²	75	63.3 Å²	63.3	49%	0.487	35%	0.351	S	S	.	.			trans	-68.9	2.2	-172.4	-20.2	34.3	0	0	0	116
544	Y	89.3	Confident	87	Confident	73 Å²	73	63.8 Å²	63.8	29%	0.286	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	86.5	-173.5	-55.2	-73	0	0	0	110.5	K542 F553 R555 S556	K542-Y544 PolarHBondContact O-N 2.97Å; Y544-F553 WeakPolarHBondContact CB-O 3.44Å; Y544-F553 WeakPolarHBondContact CD2-O 3.47Å; Y544-F553 PolarHBondContact N-O 3.41Å; Y544-F553 VanDerWaalsContact N-O 3.15Å; Y544-F553 PolarHBondContact O-N 3.5Å; Y544-R555 VanDerWaalsContact CD2-C 3.41Å; Y544-S556 VanDerWaalsContact CE2-N 3.35Å
545	E	88.6	Confident	87	Confident	128 Å²	128	66 Å²	66	60%	0.598	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	144.5	179.9	-161	-174.9	149.7	0	0	113.3	A552 L559	E545-A552 HydrophobicContact CB-CB 4.44Å; E545-A552 HydrophobicContact CG-CB 4.35Å; E545-L559 WeakPolarHBondContact O-CD2 3.31Å
546	C	91.6	Very high	87	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.364	C	S	.	.			trans	-92	109.2	172	-168.7	0	0	0	0	111.7	E548 C549 G550 K551 L559	C546-E548 PolarHBondContact O-N 2.85Å; C546-C549 PolarHBondContact O-N 3.38Å; C546-C549 VanDerWaalsContact O-N 3.08Å; C546-G550 PolarHBondContact O-N 3.21Å; C546-K551 WeakPolarHBondContact CB-O 3.31Å; C546-K551 PolarHBondContact N-O 3.02Å; C546-L559 HydrophobicContact CB-CD1 3.53Å
547	S	87.6	Confident	86.8	Confident	111 Å²	111	69.6 Å²	69.6	78%	0.776	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.9	179.8	54.6	0	0	0	0	115.7
548	E	85.9	Confident	86.8	Confident	112 Å²	112	67.2 Å²	67.2	52%	0.523	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.7	179.9	-65.5	-175.2	-107.8	0	0	114.1	C546 H566	C546-E548 PolarHBondContact O-N 2.85Å; E548-H566 WeakPolarHBondContact OE1-CB 3.37Å; E548-H566 IonicContact OE1-CG 2.74Å; E548-H566 WeakPolarHBondContact OE2-CB 3.36Å; E548-H566 IonicContact OE2-CG 3.3Å
549	C	87.8	Confident	87	Confident	55 Å²	55	63.7 Å²	63.7	37%	0.372	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.2	5.9	-175	70	0	0	0	0	116	C546 K551 H562 H566	C546-C549 PolarHBondContact O-N 3.38Å; C546-C549 VanDerWaalsContact O-N 3.08Å; C549-K551 PolarHBondContact O-N 2.61Å; C549-K551 VanDerWaalsContact O-N 3.11Å; C549-H562 PolarHBondContact SG-NE2 3.4Å; C549-H566 PolarHBondContact SG-NE2 3.24Å
550	G	84.8	Confident	87	Confident	45 Å²	45	65.1 Å²	65.1	46%	0.464	36%	0.358	S	S	.	.			trans	68.1	2.5	-179.1	0	0	0	0	0	115.3	C546 A552	C546-G550 PolarHBondContact O-N 3.21Å; G550-A552 PolarHBondContact O-N 3.23Å
551	K	86.4	Confident	86.9	Confident	127 Å²	127	67 Å²	67	55%	0.552	35%	0.352	S	S	*	.			trans	-73.6	117.6	-178.7	-70.7	-171.2	175.3	-169.2	0	110.9	C546 C549 F553	C546-K551 WeakPolarHBondContact CB-O 3.31Å; C546-K551 PolarHBondContact N-O 3.02Å; C549-K551 PolarHBondContact O-N 2.61Å; C549-K551 VanDerWaalsContact O-N 3.11Å; K551-F553 HydrophobicContact CB-CE2 4.01Å; K551-F553 HydrophobicContact CB-CZ 4.14Å; K551-F553 WeakPolarHBondContact O-CD2 3.38Å; K551-F553 VanDerWaalsContact O-CE2 3.24Å; K551-F553 WeakPolarHBondContact O-CE2 3.42Å
552	A	89.6	Confident	87	Confident	27 Å²	27	63.4 Å²	63.4	22%	0.223	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.1	-178.9	0	0	0	0	0	112.6	K542 E545 G550	K542-A552 HydrophobicContact CB-CB 3.46Å; K542-A552 VanDerWaalsContact CB-CB 3.46Å; K542-A552 HydrophobicContact CD-CB 4.12Å; K542-A552 WeakPolarHBondContact CD-O 3.48Å; K542-A552 HydrophobicContact CG-CB 4.33Å; E545-A552 HydrophobicContact CB-CB 4.44Å; E545-A552 HydrophobicContact CG-CB 4.35Å; G550-A552 PolarHBondContact O-N 3.23Å
553	F	88.1	Confident	86.8	Confident	18 Å²	18	63.9 Å²	63.9	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.9	-177.8	-60.4	-86.4	0	0	0	112	K542 Y544 K551 R555 C558 L559 H562	K542-F553 CarbonylContact C-O 3.55Å; K542-F553 VanDerWaalsContact CA-O 3.31Å; K542-F553 WeakPolarHBondContact CA-O 3.29Å; Y544-F553 WeakPolarHBondContact CB-O 3.44Å; Y544-F553 WeakPolarHBondContact CD2-O 3.47Å; Y544-F553 PolarHBondContact N-O 3.41Å; Y544-F553 VanDerWaalsContact N-O 3.15Å; Y544-F553 PolarHBondContact O-N 3.5Å; K551-F553 HydrophobicContact CB-CE2 4.01Å; K551-F553 HydrophobicContact CB-CZ 4.14Å; K551-F553 WeakPolarHBondContact O-CD2 3.38Å; K551-F553 VanDerWaalsContact O-CE2 3.24Å; K551-F553 WeakPolarHBondContact O-CE2 3.42Å; F553-R555 VanDerWaalsContact C-N 3.28Å; F553-R555 PolarHBondContact O-N 3.03Å; F553-C558 HydrophobicContact CB-CB 4.06Å; F553-C558 HydrophobicContact CD1-CB 3.84Å; F553-C558 HydrophobicContact CG-CB 4.13Å; F553-L559 HydrophobicContact CB-CB 4.47Å; F553-L559 HydrophobicContact CD2-CB 3.96Å; F553-L559 HydrophobicContact CD2-CD1 4.03Å; F553-L559 HydrophobicContact CE2-CD1 4.24Å; F553-L559 HydrophobicContact CG-CB 4.46Å; F553-H562 HydrophobicContact CE1-CB 4.26Å; F553-H562 HydrophobicContact CE2-CB 3.7Å; F553-H562 AromaticContact CE2-CD2 3.49Å; F553-H562 VanDerWaalsContact CE2-CD2 3.49Å; F553-H562 WeakPolarHBondContact CE2-CD2 3.47Å; F553-H562 AromaticContact CE2-CG 3.58Å; F553-H562 HydrophobicContact CZ-CB 3.51Å; F553-H562 AromaticContact CZ-CD2 3.62Å; F553-H562 AromaticContact CZ-CG 3.31Å; F553-H562 AromaticContact CZ-ND1 3.73Å
554	S	86.3	Confident	86.6	Confident	27 Å²	27	61.2 Å²	61.2	19%	0.189	32%	0.321	C	S	.	.	S	Bend	trans	-76.6	-10	177.5	58.8	0	0	0	0	114.4	R536 E541	R536-S554 WeakPolarHBondContact CD-O 3.2Å; R536-S554 PolarHBondContact NH1-O 3.21Å; E541-S554 WeakPolarHBondContact O-CB 3.24Å
555	R	86	Confident	86.3	Confident	61 Å²	61	63 Å²	63	23%	0.23	34%	0.335	C	S	.	.	S	Bend	trans	-144.3	131.5	-177.6	-60	175.7	-176.8	163.1	-5.5	111.1	D533 Y544 F553 K557 C558 L559	D533-R555 PolarHBondContact O-NE 3.34Å; D533-R555 PolarHBondContact O-NH2 3.3Å; Y544-R555 VanDerWaalsContact CD2-C 3.41Å; F553-R555 VanDerWaalsContact C-N 3.28Å; F553-R555 PolarHBondContact O-N 3.03Å; R555-K557 VanDerWaalsContact C-N 3.27Å; R555-K557 HydrophobicContact CB-CG 4.33Å; R555-K557 PolarHBondContact O-N 2.94Å; R555-C558 WeakPolarHBondContact O-CB 3.43Å; R555-C558 PolarHBondContact O-N 3.34Å; R555-L559 PolarHBondContact O-N 2.79Å
556	S	84.4	Confident	86.1	Confident	42 Å²	42	60.3 Å²	60.3	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-57.7	-34	-178.5	58.7	0	0	0	0	114.2	Y544 C558 L559 I560	Y544-S556 VanDerWaalsContact CE2-N 3.35Å; S556-C558 PolarHBondContact O-N 3.3Å; S556-L559 PolarHBondContact O-N 2.78Å; S556-I560 WeakPolarHBondContact O-CG1 3.38Å; S556-I560 PolarHBondContact O-N 2.63Å
557	K	83.9	Confident	85.6	Confident	130 Å²	130	63.9 Å²	63.9	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-60	-28	174.3	70.1	170.2	-175.8	170.8	0	113.2	R555 R561	R555-K557 VanDerWaalsContact C-N 3.27Å; R555-K557 HydrophobicContact CB-CG 4.33Å; R555-K557 PolarHBondContact O-N 2.94Å; K557-R561 WeakPolarHBondContact O-CB 3.49Å; K557-R561 PolarHBondContact O-N 2.8Å
558	C	86.1	Confident	85.3	Confident	12 Å²	12	60.9 Å²	60.9	8%	0.081	33%	0.331	C	S	.	.	H	α-helix	trans	-77.8	-41.7	176.3	-61	0	0	0	0	111	F553 R555 S556 R561 H562	F553-C558 HydrophobicContact CB-CB 4.06Å; F553-C558 HydrophobicContact CD1-CB 3.84Å; F553-C558 HydrophobicContact CG-CB 4.13Å; R555-C558 WeakPolarHBondContact O-CB 3.43Å; R555-C558 PolarHBondContact O-N 3.34Å; S556-C558 PolarHBondContact O-N 3.3Å; C558-R561 PolarHBondContact O-N 3.05Å; C558-H562 WeakPolarHBondContact O-CB 3.37Å; C558-H562 PolarHBondContact O-N 3.26Å
559	L	88.6	Confident	85	Confident	21 Å²	21	59 Å²	59	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-50.3	173.5	173.1	61.2	0	0	0	112	E545 C546 F553 R555 S556 R561 H562 Q563	E545-L559 WeakPolarHBondContact O-CD2 3.31Å; C546-L559 HydrophobicContact CB-CD1 3.53Å; F553-L559 HydrophobicContact CB-CB 4.47Å; F553-L559 HydrophobicContact CD2-CB 3.96Å; F553-L559 HydrophobicContact CD2-CD1 4.03Å; F553-L559 HydrophobicContact CE2-CD1 4.24Å; F553-L559 HydrophobicContact CG-CB 4.46Å; R555-L559 PolarHBondContact O-N 2.79Å; S556-L559 PolarHBondContact O-N 2.78Å; L559-R561 VanDerWaalsContact C-N 3.28Å; L559-R561 PolarHBondContact O-N 2.8Å; L559-H562 CarbonylContact O-C 3.54Å; L559-H562 WeakPolarHBondContact O-CA 3.44Å; L559-H562 WeakPolarHBondContact O-CB 3.37Å; L559-H562 PolarHBondContact O-N 3.28Å; L559-Q563 HydrophobicContact CD1-CG 4.04Å; L559-Q563 HydrophobicContact CG-CG 4.46Å; L559-Q563 WeakPolarHBondContact O-CG 3.46Å; L559-Q563 PolarHBondContact O-N 2.88Å
560	I	84.8	Confident	84.9	Confident	108 Å²	108	61.7 Å²	61.7	55%	0.554	33%	0.327	S	S	*	.	H	α-helix	trans	-59.3	-41.8	179.9	-65.7	165.2	0	0	0	110.8	S556 H562 Q563 S564	S556-I560 WeakPolarHBondContact O-CG1 3.38Å; S556-I560 PolarHBondContact O-N 2.63Å; I560-H562 VanDerWaalsContact C-N 3.35Å; I560-Q563 PolarHBondContact O-N 2.75Å; I560-S564 PolarHBondContact O-N 3.45Å
561	R	84.3	Confident	84.9	Confident	83 Å²	83	63.8 Å²	63.8	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-36.7	173.6	-179.8	-177.6	58.4	177.7	0.8	112	C308 K557 C558 L559 S564 Q583	C308-R561 PolarHBondContact SG-NH2 3.24Å; K557-R561 WeakPolarHBondContact O-CB 3.49Å; K557-R561 PolarHBondContact O-N 2.8Å; C558-R561 PolarHBondContact O-N 3.05Å; L559-R561 VanDerWaalsContact C-N 3.28Å; L559-R561 PolarHBondContact O-N 2.8Å; R561-S564 WeakPolarHBondContact O-CB 3.39Å; R561-S564 PolarHBondContact O-N 3.17Å; R561-S564 PolarHBondContact O-OG 3.48Å; R561-Q583 HydrophobicContact CG-CG 4.26Å
562	H	87	Confident	85.1	Confident	26 Å²	26	62.1 Å²	62.1	12%	0.12	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-42.3	177.1	178.7	66.5	0	0	0	112	C549 F553 C558 L559 I560 S564 L565 H566	C549-H562 PolarHBondContact SG-NE2 3.4Å; F553-H562 HydrophobicContact CE1-CB 4.26Å; F553-H562 HydrophobicContact CE2-CB 3.7Å; F553-H562 AromaticContact CE2-CD2 3.49Å; F553-H562 VanDerWaalsContact CE2-CD2 3.49Å; F553-H562 WeakPolarHBondContact CE2-CD2 3.47Å; F553-H562 AromaticContact CE2-CG 3.58Å; F553-H562 HydrophobicContact CZ-CB 3.51Å; F553-H562 AromaticContact CZ-CD2 3.62Å; F553-H562 AromaticContact CZ-CG 3.31Å; F553-H562 AromaticContact CZ-ND1 3.73Å; C558-H562 WeakPolarHBondContact O-CB 3.37Å; C558-H562 PolarHBondContact O-N 3.26Å; L559-H562 CarbonylContact O-C 3.54Å; L559-H562 WeakPolarHBondContact O-CA 3.44Å; L559-H562 WeakPolarHBondContact O-CB 3.37Å; L559-H562 PolarHBondContact O-N 3.28Å; I560-H562 VanDerWaalsContact C-N 3.35Å; H562-S564 PolarHBondContact O-N 2.97Å; H562-S564 VanDerWaalsContact O-N 3.17Å; H562-L565 VanDerWaalsContact O-CB 3.23Å; H562-L565 WeakPolarHBondContact O-CB 3.34Å; H562-L565 WeakPolarHBondContact O-CG 3.37Å; H562-L565 PolarHBondContact O-N 3.04Å; H562-H566 AromaticContact CD2-NE2 3.94Å; H562-H566 AromaticContact NE2-NE2 3.33Å; H562-H566 PolarHBondContact NE2-NE2 2.96Å
563	Q	84.3	Confident	85	Confident	60 Å²	60	67.9 Å²	67.9	28%	0.28	34%	0.344	S	S	.	.	H	α-helix	trans	-57.1	-31.1	176.7	-72.3	170.2	-50.1	0	0	112.9	L559 I560 L565 H566 T567	L559-Q563 HydrophobicContact CD1-CG 4.04Å; L559-Q563 HydrophobicContact CG-CG 4.46Å; L559-Q563 WeakPolarHBondContact O-CG 3.46Å; L559-Q563 PolarHBondContact O-N 2.88Å; I560-Q563 PolarHBondContact O-N 2.75Å; Q563-L565 PolarHBondContact O-N 3.46Å; Q563-L565 VanDerWaalsContact O-N 3.11Å; Q563-H566 PolarHBondContact O-N 2.95Å; Q563-T567 PolarHBondContact O-N 2.99Å; Q563-T567 VanDerWaalsContact O-N 3.11Å; Q563-T567 PolarHBondContact O-OG1 3.38Å
564	S	83.7	Confident	85.2	Confident	19 Å²	19	67.2 Å²	67.2	13%	0.133	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-20.4	172.9	77.8	0	0	0	0	114.7	I560 R561 H562 G568 E569 N582	I560-S564 PolarHBondContact O-N 3.45Å; R561-S564 WeakPolarHBondContact O-CB 3.39Å; R561-S564 PolarHBondContact O-N 3.17Å; R561-S564 PolarHBondContact O-OG 3.48Å; H562-S564 PolarHBondContact O-N 2.97Å; H562-S564 VanDerWaalsContact O-N 3.17Å; S564-G568 CarbonylContact O-C 3.57Å; S564-G568 WeakPolarHBondContact O-CA 3.27Å; S564-G568 PolarHBondContact O-N 3.05Å; S564-E569 PolarHBondContact O-N 2.93Å; S564-N582 VanDerWaalsContact OG-CB 3.32Å; S564-N582 WeakPolarHBondContact OG-CB 3.32Å; S564-N582 PolarHBondContact OG-ND2 3.15Å; S564-N582 VanDerWaalsContact OG-ND2 3.09Å
565	L	83.4	Confident	85.4	Confident	112 Å²	112	71 Å²	71	59%	0.586	37%	0.368	S	S	*	.	H	α-helix	trans	-76.2	-34.7	174.9	-58.4	174.7	0	0	0	111.7	H562 Q563 N582	H562-L565 VanDerWaalsContact O-CB 3.23Å; H562-L565 WeakPolarHBondContact O-CB 3.34Å; H562-L565 WeakPolarHBondContact O-CG 3.37Å; H562-L565 PolarHBondContact O-N 3.04Å; Q563-L565 PolarHBondContact O-N 3.46Å; Q563-L565 VanDerWaalsContact O-N 3.11Å; L565-N582 WeakPolarHBondContact CD2-ND2 3.47Å
566	H	83.3	Confident	85.5	Confident	71 Å²	71	74.1 Å²	74.1	33%	0.329	39%	0.385	S	S	.	.	H	α-helix	trans	-76.8	-48.7	178.1	-65	-62.3	0	0	0	111.7	E548 C549 H562 Q563 G568	E548-H566 WeakPolarHBondContact OE1-CB 3.37Å; E548-H566 IonicContact OE1-CG 2.74Å; E548-H566 WeakPolarHBondContact OE2-CB 3.36Å; E548-H566 IonicContact OE2-CG 3.3Å; C549-H566 PolarHBondContact SG-NE2 3.24Å; H562-H566 AromaticContact CD2-NE2 3.94Å; H562-H566 AromaticContact NE2-NE2 3.33Å; H562-H566 PolarHBondContact NE2-NE2 2.96Å; Q563-H566 PolarHBondContact O-N 2.95Å; H566-G568 PolarHBondContact O-N 2.8Å
567	T	81.8	Confident	85.7	Confident	75 Å²	75	74.8 Å²	74.8	46%	0.46	39%	0.389	S	S	.	.	S	Bend	trans	-70	-13.3	177.9	64	0	0	0	0	113.2	Q563 E569	Q563-T567 PolarHBondContact O-N 2.99Å; Q563-T567 VanDerWaalsContact O-N 3.11Å; Q563-T567 PolarHBondContact O-OG1 3.38Å; T567-E569 PolarHBondContact O-N 2.99Å; T567-E569 WeakPolarHBondContact OG1-CB 3.41Å; T567-E569 WeakPolarHBondContact OG1-CG 3.42Å; T567-E569 PolarHBondContact OG1-N 3.21Å
568	G	81.4	Confident	85.8	Confident	47 Å²	47	71.1 Å²	71.1	49%	0.485	39%	0.388	S	S	.	.			trans	65.5	8.7	-171.7	0	0	0	0	0	113.7	S564 H566 K570	S564-G568 CarbonylContact O-C 3.57Å; S564-G568 WeakPolarHBondContact O-CA 3.27Å; S564-G568 PolarHBondContact O-N 3.05Å; H566-G568 PolarHBondContact O-N 2.8Å; G568-K570 PolarHBondContact O-N 3.15Å
569	E	80	Confident	85.9	Confident	72 Å²	72	76.4 Å²	76.4	34%	0.336	41%	0.41	S	S	.	.			trans	-68.8	118	-176.3	-74	-176.8	169.2	0	0	110.9	R246 S564 T567 P571	R246-E569 IonicContact CZ-OE1 3.76Å; R246-E569 IonicContact NH2-OE1 3.19Å; R246-E569 PolarHBondContact NH2-OE1 3.36Å; S564-E569 PolarHBondContact O-N 2.93Å; T567-E569 PolarHBondContact O-N 2.99Å; T567-E569 WeakPolarHBondContact OG1-CB 3.41Å; T567-E569 WeakPolarHBondContact OG1-CG 3.42Å; T567-E569 PolarHBondContact OG1-N 3.21Å; E569-P571 WeakPolarHBondContact O-CD 3.23Å
570	K	85.8	Confident	85.9	Confident	112 Å²	112	76.6 Å²	76.6	49%	0.487	42%	0.415	S	S	.	.			trans	-124.4	84.4	-177.9	-74.9	165.2	156.1	-136.6	0	108.6	G568 Y572 A580 F581	G568-K570 PolarHBondContact O-N 3.15Å; K570-Y572 VanDerWaalsContact C-N 3.26Å; K570-Y572 PolarHBondContact O-N 2.99Å; K570-A580 HydrophobicContact CB-CB 3.55Å; K570-A580 HydrophobicContact CD-CB 4.21Å; K570-A580 VanDerWaalsContact CD-O 3.31Å; K570-A580 WeakPolarHBondContact CD-O 3.31Å; K570-A580 HydrophobicContact CG-CB 4.47Å; K570-A580 PolarHBondContact NZ-O 2.93Å; K570-F581 CarbonylContact C-O 3.18Å; K570-F581 VanDerWaalsContact C-O 3.31Å; K570-F581 VanDerWaalsContact CA-O 3.28Å; K570-F581 WeakPolarHBondContact CA-O 3.44Å
571	P	84.9	Confident	86	Confident	90 Å²	90	73.3 Å²	73.3	58%	0.584	40%	0.397	S	S	*	.			trans	-65.6	-30.4	-172.6	-21.9	34.3	0	0	0	113.1	E569 K573	E569-P571 WeakPolarHBondContact O-CD 3.23Å; P571-K573 PolarHBondContact O-N 3.3Å
572	Y	89	Confident	86	Confident	91 Å²	91	70.5 Å²	70.5	36%	0.357	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	99.7	-172.4	-53.9	-79	0	0	0	109.5	K570 A580 F581 N582 Q583 N584	K570-Y572 VanDerWaalsContact C-N 3.26Å; K570-Y572 PolarHBondContact O-N 2.99Å; Y572-A580 CarbonylContact O-C 3.06Å; Y572-A580 WeakPolarHBondContact O-CA 3.16Å; Y572-F581 PolarHBondContact N-O 2.86Å; Y572-F581 PolarHBondContact O-N 3.32Å; Y572-N582 WeakPolarHBondContact CE2-O 3.36Å; Y572-Q583 VanDerWaalsContact CD2-C 3.47Å; Y572-N584 HydrophobicContact CD1-CB 3.74Å; Y572-N584 WeakPolarHBondContact CD1-OD1 3.13Å; Y572-N584 HydrophobicContact CE1-CB 3.58Å; Y572-N584 WeakPolarHBondContact CE1-OD1 3.3Å; Y572-N584 HydrophobicContact CG-CB 4.34Å
573	K	88.8	Confident	86	Confident	149 Å²	149	71.3 Å²	71.3	65%	0.648	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.9	-178.4	-63.4	-179.6	-179.1	176.3	0	110.5	P571 S575 A580	P571-K573 PolarHBondContact O-N 3.3Å; K573-S575 PolarHBondContact O-N 3.45Å; K573-A580 HydrophobicContact CG-CB 3.95Å
574	C	92.3	Very high	86	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.027	40%	0.398	C	S	.	.			trans	-67.5	127.1	169	177.5	0	0	0	0	110	G578 K579 L587 H594	C574-G578 VanDerWaalsContact O-CA 3.24Å; C574-G578 WeakPolarHBondContact O-CA 3.43Å; C574-G578 PolarHBondContact O-N 3.31Å; C574-K579 WeakPolarHBondContact CB-O 3.3Å; C574-K579 PolarHBondContact N-O 3.42Å; C574-L587 HydrophobicContact CB-CD1 3.69Å; C574-H594 PolarHBondContact SG-NE2 2.78Å
575	S	88.9	Confident	86.1	Confident	106 Å²	106	74.9 Å²	74.9	74%	0.741	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-44.8	175.9	44.4	0	0	0	0	112.4	K573	K573-S575 PolarHBondContact O-N 3.45Å
576	E	87.9	Confident	86.3	Confident	126 Å²	126	73 Å²	73	59%	0.589	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-37.5	-168.5	-64.1	-179	-129.7	0	0	114.1	H594	E576-H594 WeakPolarHBondContact OE2-CB 3.23Å; E576-H594 IonicContact OE2-CG 3.86Å
577	C	89	Confident	86.7	Confident	56 Å²	56	70.2 Å²	70.2	38%	0.378	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	6.4	-176.3	76.7	0	0	0	0	114.9	K579 H590 H594	C577-K579 PolarHBondContact O-N 3.21Å; C577-K579 VanDerWaalsContact SG-CG 3.6Å; C577-H590 PolarHBondContact SG-NE2 2.96Å; C577-H594 VanDerWaalsContact SG-CE1 3.56Å
578	G	86.3	Confident	86.9	Confident	54 Å²	54	70.2 Å²	70.2	56%	0.557	39%	0.389	S	S	*	.			trans	67.8	-1.9	176.7	0	0	0	0	0	116.1	C574	C574-G578 VanDerWaalsContact O-CA 3.24Å; C574-G578 WeakPolarHBondContact O-CA 3.43Å; C574-G578 PolarHBondContact O-N 3.31Å
579	K	87.9	Confident	87.2	Confident	122 Å²	122	71.4 Å²	71.4	53%	0.53	38%	0.382	S	S	.	.			trans	-62.9	136.2	178.7	-72.9	178.3	-175.5	171.5	0	110.9	C574 C577 F581	C574-K579 WeakPolarHBondContact CB-O 3.3Å; C574-K579 PolarHBondContact N-O 3.42Å; C577-K579 PolarHBondContact O-N 3.21Å; C577-K579 VanDerWaalsContact SG-CG 3.6Å; K579-F581 HydrophobicContact CB-CE2 3.87Å; K579-F581 HydrophobicContact CB-CZ 4.03Å; K579-F581 WeakPolarHBondContact O-CE2 3.47Å
580	A	89.6	Confident	87.6	Confident	26 Å²	26	68.5 Å²	68.5	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.1	-173.6	0	0	0	0	0	112.4	K570 Y572 K573	K570-A580 HydrophobicContact CB-CB 3.55Å; K570-A580 HydrophobicContact CD-CB 4.21Å; K570-A580 VanDerWaalsContact CD-O 3.31Å; K570-A580 WeakPolarHBondContact CD-O 3.31Å; K570-A580 HydrophobicContact CG-CB 4.47Å; K570-A580 PolarHBondContact NZ-O 2.93Å; Y572-A580 CarbonylContact O-C 3.06Å; Y572-A580 WeakPolarHBondContact O-CA 3.16Å; K573-A580 HydrophobicContact CG-CB 3.95Å
581	F	87.3	Confident	87.7	Confident	39 Å²	39	65.9 Å²	65.9	17%	0.171	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.5	-173.6	-56.9	-87.8	0	0	0	110.8	K570 Y572 K579 Q586 L587 H590	K570-F581 CarbonylContact C-O 3.18Å; K570-F581 VanDerWaalsContact C-O 3.31Å; K570-F581 VanDerWaalsContact CA-O 3.28Å; K570-F581 WeakPolarHBondContact CA-O 3.44Å; Y572-F581 PolarHBondContact N-O 2.86Å; Y572-F581 PolarHBondContact O-N 3.32Å; K579-F581 HydrophobicContact CB-CE2 3.87Å; K579-F581 HydrophobicContact CB-CZ 4.03Å; K579-F581 WeakPolarHBondContact O-CE2 3.47Å; F581-Q586 HydrophobicContact CB-CB 4.01Å; F581-Q586 HydrophobicContact CD1-CB 3.81Å; F581-Q586 HydrophobicContact CG-CB 4.12Å; F581-L587 HydrophobicContact CD2-CB 4.2Å; F581-L587 HydrophobicContact CD2-CD1 4Å; F581-L587 HydrophobicContact CE2-CD1 4.2Å; F581-H590 HydrophobicContact CE1-CB 4.12Å; F581-H590 HydrophobicContact CE2-CB 3.89Å; F581-H590 AromaticContact CE2-CD2 3.34Å; F581-H590 WeakPolarHBondContact CE2-CD2 3.47Å; F581-H590 AromaticContact CE2-CG 3.7Å; F581-H590 HydrophobicContact CZ-CB 3.53Å; F581-H590 AromaticContact CZ-CD2 3.42Å; F581-H590 VanDerWaalsContact CZ-CD2 3.42Å; F581-H590 WeakPolarHBondContact CZ-CD2 3.46Å; F581-H590 AromaticContact CZ-CG 3.33Å
582	N	84.3	Confident	87.9	Confident	24 Å²	24	64.8 Å²	64.8	13%	0.128	34%	0.342	C	S	.	.	S	Bend	trans	-91.3	-5.8	177.4	74.2	-7.6	0	0	0	113.6	S564 L565 Y572 Q586	S564-N582 VanDerWaalsContact OG-CB 3.32Å; S564-N582 WeakPolarHBondContact OG-CB 3.32Å; S564-N582 PolarHBondContact OG-ND2 3.15Å; S564-N582 VanDerWaalsContact OG-ND2 3.09Å; L565-N582 WeakPolarHBondContact CD2-ND2 3.47Å; Y572-N582 WeakPolarHBondContact CE2-O 3.36Å; N582-Q586 PolarHBondContact OD1-OE1 2.98Å; N582-Q586 VanDerWaalsContact OD1-OE1 3.11Å
583	Q	85.1	Confident	87.9	Confident	43 Å²	43	66.4 Å²	66.4	20%	0.201	36%	0.355	C	S	.	.	S	Bend	trans	-136.5	138.3	179.9	-73.3	164.7	103.3	0	0	111.2	R561 Y572 S585 Q586 L587	R561-Q583 HydrophobicContact CG-CG 4.26Å; Y572-Q583 VanDerWaalsContact CD2-C 3.47Å; Q583-S585 VanDerWaalsContact C-N 3.25Å; Q583-S585 PolarHBondContact O-N 3.23Å; Q583-Q586 HydrophobicContact CB-CB 4.42Å; Q583-Q586 HydrophobicContact CB-CG 4.08Å; Q583-Q586 WeakPolarHBondContact O-CB 3.23Å; Q583-Q586 PolarHBondContact O-N 2.99Å; Q583-Q586 VanDerWaalsContact O-N 3.11Å; Q583-L587 PolarHBondContact O-N 2.98Å
584	N	85.8	Confident	87.8	Confident	79 Å²	79	62.2 Å²	62.2	42%	0.422	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-34	177.1	-159.3	74.3	0	0	0	112.8	Y572 Q586 L587 I588	Y572-N584 HydrophobicContact CD1-CB 3.74Å; Y572-N584 WeakPolarHBondContact CD1-OD1 3.13Å; Y572-N584 HydrophobicContact CE1-CB 3.58Å; Y572-N584 WeakPolarHBondContact CE1-OD1 3.3Å; Y572-N584 HydrophobicContact CG-CB 4.34Å; N584-Q586 VanDerWaalsContact C-N 3.32Å; N584-Q586 PolarHBondContact O-N 3.22Å; N584-L587 PolarHBondContact O-N 3.34Å; N584-I588 WeakPolarHBondContact ND2-CD1 3.46Å; N584-I588 WeakPolarHBondContact O-CG1 3.42Å; N584-I588 PolarHBondContact O-N 3.08Å
585	S	86	Confident	87.5	Confident	75 Å²	75	65.8 Å²	65.8	52%	0.524	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-35.1	175.9	48.8	0	0	0	0	112.9	Q583 E589	Q583-S585 VanDerWaalsContact C-N 3.25Å; Q583-S585 PolarHBondContact O-N 3.23Å; S585-E589 VanDerWaalsContact O-CB 3.29Å; S585-E589 WeakPolarHBondContact O-CB 3.28Å; S585-E589 PolarHBondContact O-N 2.85Å
586	Q	87.9	Confident	87.4	Confident	72 Å²	72	62.6 Å²	62.6	34%	0.336	34%	0.344	S	S	.	.	H	α-helix	trans	-71.4	-34.7	174.4	-68.1	178.3	-19	0	0	112	F581 N582 Q583 N584 H590	F581-Q586 HydrophobicContact CB-CB 4.01Å; F581-Q586 HydrophobicContact CD1-CB 3.81Å; F581-Q586 HydrophobicContact CG-CB 4.12Å; N582-Q586 PolarHBondContact OD1-OE1 2.98Å; N582-Q586 VanDerWaalsContact OD1-OE1 3.11Å; Q583-Q586 HydrophobicContact CB-CB 4.42Å; Q583-Q586 HydrophobicContact CB-CG 4.08Å; Q583-Q586 WeakPolarHBondContact O-CB 3.23Å; Q583-Q586 PolarHBondContact O-N 2.99Å; Q583-Q586 VanDerWaalsContact O-N 3.11Å; N584-Q586 VanDerWaalsContact C-N 3.32Å; N584-Q586 PolarHBondContact O-N 3.22Å; Q586-H590 VanDerWaalsContact O-CB 3.23Å; Q586-H590 WeakPolarHBondContact O-CB 3.43Å; Q586-H590 PolarHBondContact O-N 3.47Å
587	L	90.3	Very high	87.4	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-48.9	173.4	175.9	59.5	0	0	0	110.7	C574 F581 Q583 N584 E589 H590 E591	C574-L587 HydrophobicContact CB-CD1 3.69Å; F581-L587 HydrophobicContact CD2-CB 4.2Å; F581-L587 HydrophobicContact CD2-CD1 4Å; F581-L587 HydrophobicContact CE2-CD1 4.2Å; Q583-L587 PolarHBondContact O-N 2.98Å; N584-L587 PolarHBondContact O-N 3.34Å; L587-E589 PolarHBondContact O-N 3.26Å; L587-H590 CarbonylContact O-C 3.58Å; L587-H590 WeakPolarHBondContact O-CA 3.45Å; L587-H590 WeakPolarHBondContact O-CB 3.33Å; L587-H590 PolarHBondContact O-N 3.38Å; L587-E591 HydrophobicContact CD1-CG 3.97Å; L587-E591 WeakPolarHBondContact CD1-OE1 3.2Å; L587-E591 HydrophobicContact CG-CG 4.35Å; L587-E591 WeakPolarHBondContact CG-OE1 3.41Å; L587-E591 WeakPolarHBondContact O-CG 3.22Å; L587-E591 PolarHBondContact O-N 3.06Å
588	I	86.5	Confident	87.4	Confident	74 Å²	74	65.2 Å²	65.2	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-39	177	-64.9	167.9	0	0	0	111.7	N584 H590	N584-I588 WeakPolarHBondContact ND2-CD1 3.46Å; N584-I588 WeakPolarHBondContact O-CG1 3.42Å; N584-I588 PolarHBondContact O-N 3.08Å; I588-H590 PolarHBondContact O-N 3.13Å
589	E	87.6	Confident	87.5	Confident	72 Å²	72	66.2 Å²	66.2	34%	0.336	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-33.3	171.2	162.6	161.8	171.1	0	0	111.9	S585 L587 L611 K613	S585-E589 VanDerWaalsContact O-CB 3.29Å; S585-E589 WeakPolarHBondContact O-CB 3.28Å; S585-E589 PolarHBondContact O-N 2.85Å; L587-E589 PolarHBondContact O-N 3.26Å; E589-L611 HydrophobicContact CB-CD2 4.23Å; E589-L611 HydrophobicContact CG-CD1 3.96Å; E589-L611 HydrophobicContact CG-CD2 3.65Å; E589-L611 HydrophobicContact CG-CG 4.28Å; E589-L611 VanDerWaalsContact OE1-CD1 3.24Å; E589-L611 WeakPolarHBondContact OE1-CD1 3.14Å; E589-L611 WeakPolarHBondContact OE2-CD2 3.35Å; E589-K613 WeakPolarHBondContact OE1-CE 3.43Å; E589-K613 IonicContact OE1-NZ 3.73Å; E589-K613 PolarHBondContact OE1-NZ 3.29Å; E589-K613 IonicContact OE2-NZ 3.26Å; E589-K613 PolarHBondContact OE2-NZ 2.89Å
590	H	88.9	Confident	87.7	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-81.1	-38.5	179.3	173.4	50.4	0	0	0	113.9	C577 F581 Q586 L587 I588 R592 I593 H594	C577-H590 PolarHBondContact SG-NE2 2.96Å; F581-H590 HydrophobicContact CE1-CB 4.12Å; F581-H590 HydrophobicContact CE2-CB 3.89Å; F581-H590 AromaticContact CE2-CD2 3.34Å; F581-H590 WeakPolarHBondContact CE2-CD2 3.47Å; F581-H590 AromaticContact CE2-CG 3.7Å; F581-H590 HydrophobicContact CZ-CB 3.53Å; F581-H590 AromaticContact CZ-CD2 3.42Å; F581-H590 VanDerWaalsContact CZ-CD2 3.42Å; F581-H590 WeakPolarHBondContact CZ-CD2 3.46Å; F581-H590 AromaticContact CZ-CG 3.33Å; Q586-H590 VanDerWaalsContact O-CB 3.23Å; Q586-H590 WeakPolarHBondContact O-CB 3.43Å; Q586-H590 PolarHBondContact O-N 3.47Å; L587-H590 CarbonylContact O-C 3.58Å; L587-H590 WeakPolarHBondContact O-CA 3.45Å; L587-H590 WeakPolarHBondContact O-CB 3.33Å; L587-H590 PolarHBondContact O-N 3.38Å; I588-H590 PolarHBondContact O-N 3.13Å; H590-R592 PolarHBondContact O-N 3.18Å; H590-I593 WeakPolarHBondContact O-CB 3.39Å; H590-I593 WeakPolarHBondContact O-CG1 3.25Å; H590-I593 PolarHBondContact O-N 3.42Å; H590-H594 AromaticContact CD2-NE2 3.86Å; H590-H594 AromaticContact CE1-CE1 3.5Å; H590-H594 PolarHBondContact CE1-CE1 3.37Å; H590-H594 VanDerWaalsContact CE1-CE1 3.5Å; H590-H594 AromaticContact CE1-NE2 3.4Å; H590-H594 PolarHBondContact CE1-NE2 3.12Å; H590-H594 AromaticContact NE2-CE1 3.56Å; H590-H594 AromaticContact NE2-NE2 3.08Å; H590-H594 PolarHBondContact NE2-NE2 3.49Å
591	E	87.8	Confident	87.7	Confident	56 Å²	56	68.4 Å²	68.4	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-30	-178.2	-75.2	164.1	159.8	0	0	112.1	L587 I593 H594 T595	L587-E591 HydrophobicContact CD1-CG 3.97Å; L587-E591 WeakPolarHBondContact CD1-OE1 3.2Å; L587-E591 HydrophobicContact CG-CG 4.35Å; L587-E591 WeakPolarHBondContact CG-OE1 3.41Å; L587-E591 WeakPolarHBondContact O-CG 3.22Å; L587-E591 PolarHBondContact O-N 3.06Å; E591-I593 PolarHBondContact O-N 3.36Å; E591-H594 PolarHBondContact O-N 3.12Å; E591-T595 PolarHBondContact O-N 3.19Å; E591-T595 VanDerWaalsContact O-N 3.12Å
592	R	89.3	Confident	88	Confident	67 Å²	67	66.6 Å²	66.6	25%	0.253	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-17.4	169.4	-66.9	-179.5	-177.7	158.5	9	115.1	H590 T595 G596 E597 G610	H590-R592 PolarHBondContact O-N 3.18Å; R592-T595 WeakPolarHBondContact CA-OG1 3.27Å; R592-G596 CarbonylContact O-C 3.18Å; R592-G596 WeakPolarHBondContact O-CA 3.45Å; R592-G596 PolarHBondContact O-N 3.3Å; R592-G596 VanDerWaalsContact O-N 3.12Å; R592-E597 HydrophobicContact CB-CB 4.45Å; R592-E597 HydrophobicContact CG-CB 4.13Å; R592-E597 PolarHBondContact O-N 3.4Å; R592-G610 PolarHBondContact NH1-O 2.95Å
593	I	87.6	Confident	88.2	Confident	125 Å²	125	70.9 Å²	70.9	64%	0.641	38%	0.376	S	S	*	.	H	α-helix	trans	-73.6	-31.1	174.4	-60	-179.2	0	0	0	110.7	H590 E591	H590-I593 WeakPolarHBondContact O-CB 3.39Å; H590-I593 WeakPolarHBondContact O-CG1 3.25Å; H590-I593 PolarHBondContact O-N 3.42Å; E591-I593 PolarHBondContact O-N 3.36Å
594	H	87.9	Confident	88.4	Confident	62 Å²	62	74.1 Å²	74.1	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-90.8	-43.6	179.6	-40.4	-57.4	0	0	0	111.6	C574 E576 C577 H590 E591 G596	C574-H594 PolarHBondContact SG-NE2 2.78Å; E576-H594 WeakPolarHBondContact OE2-CB 3.23Å; E576-H594 IonicContact OE2-CG 3.86Å; C577-H594 VanDerWaalsContact SG-CE1 3.56Å; H590-H594 AromaticContact CD2-NE2 3.86Å; H590-H594 AromaticContact CE1-CE1 3.5Å; H590-H594 PolarHBondContact CE1-CE1 3.37Å; H590-H594 VanDerWaalsContact CE1-CE1 3.5Å; H590-H594 AromaticContact CE1-NE2 3.4Å; H590-H594 PolarHBondContact CE1-NE2 3.12Å; H590-H594 AromaticContact NE2-CE1 3.56Å; H590-H594 AromaticContact NE2-NE2 3.08Å; H590-H594 PolarHBondContact NE2-NE2 3.49Å; E591-H594 PolarHBondContact O-N 3.12Å; H594-G596 PolarHBondContact O-N 3.1Å
595	T	86.6	Confident	88.6	Confident	79 Å²	79	72.6 Å²	72.6	49%	0.485	39%	0.386	S	S	.	.	H	α-helix	trans	-69.3	-17.3	174.9	67.2	0	0	0	0	113.1	E591 R592 E597	E591-T595 PolarHBondContact O-N 3.19Å; E591-T595 VanDerWaalsContact O-N 3.12Å; R592-T595 WeakPolarHBondContact CA-OG1 3.27Å; T595-E597 PolarHBondContact O-N 2.94Å; T595-E597 WeakPolarHBondContact OG1-CG 3.35Å; T595-E597 PolarHBondContact OG1-N 3.34Å
596	G	85.9	Confident	88.7	Confident	39 Å²	39	71 Å²	71	40%	0.402	38%	0.381	S	S	.	.			trans	73.4	1.8	-177.2	0	0	0	0	0	114.6	R592 H594 K598	R592-G596 CarbonylContact O-C 3.18Å; R592-G596 WeakPolarHBondContact O-CA 3.45Å; R592-G596 PolarHBondContact O-N 3.3Å; R592-G596 VanDerWaalsContact O-N 3.12Å; H594-G596 PolarHBondContact O-N 3.1Å; G596-K598 WeakPolarHBondContact O-CG 3.49Å; G596-K598 PolarHBondContact O-N 3.46Å
597	E	87.4	Confident	88.8	Confident	109 Å²	109	73 Å²	73	51%	0.509	39%	0.389	S	S	.	.			trans	-56.4	128.2	-176.7	-81.7	-179.8	-165.3	0	0	113.1	R592 T595	R592-E597 HydrophobicContact CB-CB 4.45Å; R592-E597 HydrophobicContact CG-CB 4.13Å; R592-E597 PolarHBondContact O-N 3.4Å; T595-E597 PolarHBondContact O-N 2.94Å; T595-E597 WeakPolarHBondContact OG1-CG 3.35Å; T595-E597 PolarHBondContact OG1-N 3.34Å
598	K	89.8	Confident	88.8	Confident	127 Å²	127	74.1 Å²	74.1	55%	0.552	40%	0.4	S	S	*	.			trans	-129.8	73.4	-179.8	-71.5	157.7	-174.1	170.7	0	111.5	G596 F600 A608 F609	G596-K598 WeakPolarHBondContact O-CG 3.49Å; G596-K598 PolarHBondContact O-N 3.46Å; K598-F600 PolarHBondContact O-N 2.89Å; K598-A608 HydrophobicContact CB-CB 3.55Å; K598-A608 HydrophobicContact CD-CB 4.29Å; K598-A608 HydrophobicContact CG-CB 4.46Å; K598-F609 CarbonylContact C-O 3.49Å; K598-F609 VanDerWaalsContact CA-O 3.32Å; K598-F609 WeakPolarHBondContact CA-O 3.22Å
599	P	88.4	Confident	88.9	Confident	75 Å²	75	73 Å²	73	49%	0.487	39%	0.393	S	S	.	.			trans	-69.5	-1.5	-171.5	-20	34.2	0	0	0	115.8
600	F	90.9	Very high	88.8	Confident	66 Å²	66	70.5 Å²	70.5	29%	0.289	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	91.2	-174.5	-55.9	-81.5	0	0	0	110.1	K598 F609 L615	K598-F600 PolarHBondContact O-N 2.89Å; F600-F609 WeakPolarHBondContact CB-O 3.46Å; F600-F609 PolarHBondContact N-O 2.86Å; F600-F609 VanDerWaalsContact N-O 3.1Å; F600-F609 PolarHBondContact O-N 2.88Å; F600-L615 HydrophobicContact CB-CB 4.08Å; F600-L615 HydrophobicContact CB-CD2 3.87Å
601	E	90.9	Very high	88.7	Confident	129 Å²	129	71.8 Å²	71.8	60%	0.603	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	144.1	179.9	-164.9	174.4	159.3	0	0	112.9	G606 A608 L615	E601-G606 WeakPolarHBondContact OE1-CA 3.31Å; E601-A608 HydrophobicContact CB-CB 4.44Å; E601-A608 HydrophobicContact CG-CB 4.38Å; E601-L615 WeakPolarHBondContact O-CD2 3.32Å
602	C	92.3	Very high	88.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	40%	0.397	C	S	.	.			trans	-89.5	110.8	172.2	-175.1	0	0	0	0	111	E604 C605 G606 K607 L615 H622	C602-E604 PolarHBondContact O-N 2.83Å; C602-C605 PolarHBondContact O-N 2.82Å; C602-C605 VanDerWaalsContact O-N 3.14Å; C602-G606 PolarHBondContact O-N 3.16Å; C602-K607 WeakPolarHBondContact CB-O 3.42Å; C602-K607 PolarHBondContact N-O 3.17Å; C602-L615 HydrophobicContact CB-CD1 3.57Å; C602-H622 PolarHBondContact SG-NE2 2.92Å
603	S	90.1	Very high	88.5	Confident	114 Å²	114	74 Å²	74	80%	0.797	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.8	179.1	50.8	0	0	0	0	115.1
604	E	88.7	Confident	88.5	Confident	112 Å²	112	69.3 Å²	69.3	52%	0.523	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.2	-177.8	-64.1	178	-100.1	0	0	113.8	C602 H622	C602-E604 PolarHBondContact O-N 2.83Å; E604-H622 IonicContact OE1-CD2 3.37Å; E604-H622 PolarHBondContact OE1-CD2 3.2Å; E604-H622 IonicContact OE1-CG 3.41Å; E604-H622 VanDerWaalsContact OE2-CB 3.22Å; E604-H622 WeakPolarHBondContact OE2-CB 3.32Å; E604-H622 IonicContact OE2-CG 3.38Å
605	C	90.3	Very high	88.6	Confident	46 Å²	46	67.3 Å²	67.3	31%	0.311	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	11.6	-174.3	72.1	0	0	0	0	116.1	C602 K607 H618 H622	C602-C605 PolarHBondContact O-N 2.82Å; C602-C605 VanDerWaalsContact O-N 3.14Å; C605-K607 PolarHBondContact O-N 3.33Å; C605-K607 VanDerWaalsContact O-N 3.08Å; C605-H618 PolarHBondContact SG-NE2 2.82Å; C605-H622 WeakPolarHBondContact CB-CE1 3.37Å; C605-H622 PolarHBondContact SG-CE1 3.05Å; C605-H622 PolarHBondContact SG-NE2 2.73Å
606	G	87.6	Confident	88.7	Confident	42 Å²	42	67.5 Å²	67.5	43%	0.433	38%	0.377	S	S	.	.			trans	65.5	7.6	178.6	0	0	0	0	0	115.3	E601 C602 A608	E601-G606 WeakPolarHBondContact OE1-CA 3.31Å; C602-G606 PolarHBondContact O-N 3.16Å; G606-A608 PolarHBondContact O-N 2.9Å
607	K	89.5	Confident	88.8	Confident	113 Å²	113	70.7 Å²	70.7	49%	0.491	38%	0.377	S	S	.	.			trans	-78	110.8	-177.3	-72.8	179.6	-175.9	172.5	0	110.3	C602 C605 F609	C602-K607 WeakPolarHBondContact CB-O 3.42Å; C602-K607 PolarHBondContact N-O 3.17Å; C605-K607 PolarHBondContact O-N 3.33Å; C605-K607 VanDerWaalsContact O-N 3.08Å; K607-F609 HydrophobicContact CB-CE2 4.03Å; K607-F609 HydrophobicContact CB-CZ 4.15Å; K607-F609 WeakPolarHBondContact O-CD2 3.38Å; K607-F609 WeakPolarHBondContact O-CE2 3.38Å
608	A	90.5	Very high	89	Confident	37 Å²	37	66.5 Å²	66.5	31%	0.306	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.5	179.2	0	0	0	0	0	113	K598 E601 G606	K598-A608 HydrophobicContact CB-CB 3.55Å; K598-A608 HydrophobicContact CD-CB 4.29Å; K598-A608 HydrophobicContact CG-CB 4.46Å; E601-A608 HydrophobicContact CB-CB 4.44Å; E601-A608 HydrophobicContact CG-CB 4.38Å; G606-A608 PolarHBondContact O-N 2.9Å
609	F	88.3	Confident	88.9	Confident	50 Å²	50	63.4 Å²	63.4	22%	0.219	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.2	179.9	-57.9	-88.2	0	0	0	111	K598 F600 K607 L611 C614 L615 H618	K598-F609 CarbonylContact C-O 3.49Å; K598-F609 VanDerWaalsContact CA-O 3.32Å; K598-F609 WeakPolarHBondContact CA-O 3.22Å; F600-F609 WeakPolarHBondContact CB-O 3.46Å; F600-F609 PolarHBondContact N-O 2.86Å; F600-F609 VanDerWaalsContact N-O 3.1Å; F600-F609 PolarHBondContact O-N 2.88Å; K607-F609 HydrophobicContact CB-CE2 4.03Å; K607-F609 HydrophobicContact CB-CZ 4.15Å; K607-F609 WeakPolarHBondContact O-CD2 3.38Å; K607-F609 WeakPolarHBondContact O-CE2 3.38Å; F609-L611 PolarHBondContact O-N 3.01Å; F609-C614 HydrophobicContact CB-CB 4.11Å; F609-C614 HydrophobicContact CD1-CB 3.85Å; F609-C614 HydrophobicContact CG-CB 4.14Å; F609-L615 HydrophobicContact CD2-CB 4.02Å; F609-L615 HydrophobicContact CD2-CD1 4.08Å; F609-L615 HydrophobicContact CE2-CD1 4.21Å; F609-H618 HydrophobicContact CE1-CB 4.3Å; F609-H618 HydrophobicContact CE2-CB 3.78Å; F609-H618 AromaticContact CE2-CD2 3.47Å; F609-H618 VanDerWaalsContact CE2-CD2 3.47Å; F609-H618 WeakPolarHBondContact CE2-CD2 3.49Å; F609-H618 AromaticContact CE2-CG 3.68Å; F609-H618 HydrophobicContact CZ-CB 3.53Å; F609-H618 AromaticContact CZ-CD2 3.57Å; F609-H618 AromaticContact CZ-CG 3.38Å; F609-H618 AromaticContact CZ-ND1 3.98Å
610	G	85.3	Confident	89	Confident	20 Å²	20	62.6 Å²	62.6	21%	0.206	33%	0.332	C	S	.	.	S	Bend	trans	-68.9	-10.3	173.3	0	0	0	0	0	114.4	R592	R592-G610 PolarHBondContact NH1-O 2.95Å
611	L	87.1	Confident	88.9	Confident	40 Å²	40	64.4 Å²	64.4	21%	0.209	34%	0.344	C	S	.	.			trans	-146.8	126.6	-165.3	-69.2	161	0	0	0	112.6	E589 F609 K613 C614 L615	E589-L611 HydrophobicContact CB-CD2 4.23Å; E589-L611 HydrophobicContact CG-CD1 3.96Å; E589-L611 HydrophobicContact CG-CD2 3.65Å; E589-L611 HydrophobicContact CG-CG 4.28Å; E589-L611 VanDerWaalsContact OE1-CD1 3.24Å; E589-L611 WeakPolarHBondContact OE1-CD1 3.14Å; E589-L611 WeakPolarHBondContact OE2-CD2 3.35Å; F609-L611 PolarHBondContact O-N 3.01Å; L611-K613 VanDerWaalsContact C-N 3.32Å; L611-K613 HydrophobicContact CB-CG 4.2Å; L611-K613 PolarHBondContact O-N 3.27Å; L611-C614 HydrophobicContact CB-CB 4.41Å; L611-C614 WeakPolarHBondContact O-CA 3.38Å; L611-C614 WeakPolarHBondContact O-CB 3.38Å; L611-C614 PolarHBondContact O-N 3.07Å; L611-L615 PolarHBondContact O-N 2.84Å
612	S	87.6	Confident	88.7	Confident	49 Å²	49	62 Å²	62	34%	0.343	33%	0.333	S	S	.	.	H	α-helix	trans	-55.5	-41.1	178.2	-179.2	0	0	0	0	113.5	C614 L615 I616	S612-C614 PolarHBondContact O-N 3.2Å; S612-C614 VanDerWaalsContact O-N 3.12Å; S612-L615 WeakPolarHBondContact O-CB 3.37Å; S612-L615 PolarHBondContact O-N 2.99Å; S612-I616 WeakPolarHBondContact O-CG1 3.31Å; S612-I616 PolarHBondContact O-N 3.23Å
613	K	86	Confident	88.5	Confident	119 Å²	119	66 Å²	66	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-57.2	-26.5	174.4	68.7	-161.8	176.3	-163.8	0	113.7	E589 L611 R617	E589-K613 WeakPolarHBondContact OE1-CE 3.43Å; E589-K613 IonicContact OE1-NZ 3.73Å; E589-K613 PolarHBondContact OE1-NZ 3.29Å; E589-K613 IonicContact OE2-NZ 3.26Å; E589-K613 PolarHBondContact OE2-NZ 2.89Å; L611-K613 VanDerWaalsContact C-N 3.32Å; L611-K613 HydrophobicContact CB-CG 4.2Å; L611-K613 PolarHBondContact O-N 3.27Å; K613-R617 VanDerWaalsContact O-CB 3.31Å; K613-R617 WeakPolarHBondContact O-CB 3.31Å; K613-R617 PolarHBondContact O-N 3.21Å
614	C	87.8	Confident	88.3	Confident	27 Å²	27	62.4 Å²	62.4	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-82.5	-37.4	173.5	-68.7	0	0	0	0	112.3	F609 L611 S612 R617 H618	F609-C614 HydrophobicContact CB-CB 4.11Å; F609-C614 HydrophobicContact CD1-CB 3.85Å; F609-C614 HydrophobicContact CG-CB 4.14Å; L611-C614 HydrophobicContact CB-CB 4.41Å; L611-C614 WeakPolarHBondContact O-CA 3.38Å; L611-C614 WeakPolarHBondContact O-CB 3.38Å; L611-C614 PolarHBondContact O-N 3.07Å; S612-C614 PolarHBondContact O-N 3.2Å; S612-C614 VanDerWaalsContact O-N 3.12Å; C614-R617 PolarHBondContact SG-NH2 2.92Å; C614-R617 VanDerWaalsContact SG-NH2 3.41Å; C614-H618 WeakPolarHBondContact O-CB 3.16Å; C614-H618 PolarHBondContact O-N 3.09Å
615	L	90.7	Very high	88.3	Confident	21 Å²	21	61.9 Å²	61.9	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-50.2	173.6	173.7	59.7	0	0	0	111.6	F600 E601 C602 F609 L611 S612 R617 H618 Q619	F600-L615 HydrophobicContact CB-CB 4.08Å; F600-L615 HydrophobicContact CB-CD2 3.87Å; E601-L615 WeakPolarHBondContact O-CD2 3.32Å; C602-L615 HydrophobicContact CB-CD1 3.57Å; F609-L615 HydrophobicContact CD2-CB 4.02Å; F609-L615 HydrophobicContact CD2-CD1 4.08Å; F609-L615 HydrophobicContact CE2-CD1 4.21Å; L611-L615 PolarHBondContact O-N 2.84Å; S612-L615 WeakPolarHBondContact O-CB 3.37Å; S612-L615 PolarHBondContact O-N 2.99Å; L615-R617 VanDerWaalsContact C-N 3.3Å; L615-R617 PolarHBondContact O-N 3.26Å; L615-H618 CarbonylContact O-C 3.59Å; L615-H618 WeakPolarHBondContact O-CA 3.32Å; L615-H618 WeakPolarHBondContact O-CB 3.36Å; L615-H618 PolarHBondContact O-N 3.3Å; L615-Q619 HydrophobicContact CD1-CG 4.1Å; L615-Q619 HydrophobicContact CG-CG 4.5Å; L615-Q619 WeakPolarHBondContact O-CG 3.48Å; L615-Q619 PolarHBondContact O-N 3.09Å
616	I	88.3	Confident	88.3	Confident	82 Å²	82	65.6 Å²	65.6	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-44.2	178.7	-64.5	165.6	0	0	0	110.7	S612 H618 Q619 R620	S612-I616 WeakPolarHBondContact O-CG1 3.31Å; S612-I616 PolarHBondContact O-N 3.23Å; I616-H618 VanDerWaalsContact C-N 3.26Å; I616-H618 PolarHBondContact O-N 2.81Å; I616-Q619 PolarHBondContact O-N 3Å; I616-R620 PolarHBondContact O-N 3.43Å
617	R	88.5	Confident	88.4	Confident	106 Å²	106	67 Å²	67	40%	0.4	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-30.3	174.2	174.8	173	56.6	166.1	-2.4	113	K613 C614 L615 Q639	K613-R617 VanDerWaalsContact O-CB 3.31Å; K613-R617 WeakPolarHBondContact O-CB 3.31Å; K613-R617 PolarHBondContact O-N 3.21Å; C614-R617 PolarHBondContact SG-NH2 2.92Å; C614-R617 VanDerWaalsContact SG-NH2 3.41Å; L615-R617 VanDerWaalsContact C-N 3.3Å; L615-R617 PolarHBondContact O-N 3.26Å; R617-Q639 HydrophobicContact CG-CG 4.16Å
618	H	89.7	Confident	88.5	Confident	21 Å²	21	65.1 Å²	65.1	10%	0.097	34%	0.338	C	S	.	.	H	α-helix	trans	-76.4	-39.5	176.2	176.3	58.3	0	0	0	112.2	C605 F609 C614 L615 I616 R620 L621 H622	C605-H618 PolarHBondContact SG-NE2 2.82Å; F609-H618 HydrophobicContact CE1-CB 4.3Å; F609-H618 HydrophobicContact CE2-CB 3.78Å; F609-H618 AromaticContact CE2-CD2 3.47Å; F609-H618 VanDerWaalsContact CE2-CD2 3.47Å; F609-H618 WeakPolarHBondContact CE2-CD2 3.49Å; F609-H618 AromaticContact CE2-CG 3.68Å; F609-H618 HydrophobicContact CZ-CB 3.53Å; F609-H618 AromaticContact CZ-CD2 3.57Å; F609-H618 AromaticContact CZ-CG 3.38Å; F609-H618 AromaticContact CZ-ND1 3.98Å; C614-H618 WeakPolarHBondContact O-CB 3.16Å; C614-H618 PolarHBondContact O-N 3.09Å; L615-H618 CarbonylContact O-C 3.59Å; L615-H618 WeakPolarHBondContact O-CA 3.32Å; L615-H618 WeakPolarHBondContact O-CB 3.36Å; L615-H618 PolarHBondContact O-N 3.3Å; I616-H618 VanDerWaalsContact C-N 3.26Å; I616-H618 PolarHBondContact O-N 2.81Å; H618-R620 PolarHBondContact O-N 3.12Å; H618-L621 WeakPolarHBondContact O-CB 3.49Å; H618-L621 WeakPolarHBondContact O-CG 3.48Å; H618-L621 PolarHBondContact O-N 3.23Å; H618-H622 AromaticContact CD2-NE2 3.48Å; H618-H622 PolarHBondContact CD2-NE2 3.13Å; H618-H622 AromaticContact CE1-NE2 3.68Å; H618-H622 AromaticContact NE2-NE2 2.83Å; H618-H622 PolarHBondContact NE2-NE2 3.36Å
619	Q	88.4	Confident	88.5	Confident	62 Å²	62	69.2 Å²	69.2	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-33.9	176.9	-71.8	169.2	-64.8	0	0	112.2	L615 I616 L621 H622 T623	L615-Q619 HydrophobicContact CD1-CG 4.1Å; L615-Q619 HydrophobicContact CG-CG 4.5Å; L615-Q619 WeakPolarHBondContact O-CG 3.48Å; L615-Q619 PolarHBondContact O-N 3.09Å; I616-Q619 PolarHBondContact O-N 3Å; Q619-L621 PolarHBondContact O-N 3.4Å; Q619-H622 PolarHBondContact O-N 3.34Å; Q619-T623 PolarHBondContact O-N 3.48Å
620	R	90.3	Very high	88.7	Confident	58 Å²	58	66.9 Å²	66.9	22%	0.219	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-12.5	170.4	-65	-178.8	-178.4	168.4	1.8	115.1	I616 H618 G624 E625 N638	I616-R620 PolarHBondContact O-N 3.43Å; H618-R620 PolarHBondContact O-N 3.12Å; R620-G624 CarbonylContact O-C 3.59Å; R620-G624 PolarHBondContact O-N 3.09Å; R620-E625 HydrophobicContact CB-CB 4.19Å; R620-E625 HydrophobicContact CG-CB 4.02Å; R620-E625 PolarHBondContact O-N 2.74Å; R620-N638 HydrophobicContact CB-CB 4.48Å; R620-N638 PolarHBondContact NH1-O 3.4Å
621	L	88.3	Confident	88.9	Confident	104 Å²	104	73 Å²	73	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-81.8	-29.3	171.3	-58.6	179.2	0	0	0	112.3	H618 Q619 N638	H618-L621 WeakPolarHBondContact O-CB 3.49Å; H618-L621 WeakPolarHBondContact O-CG 3.48Å; H618-L621 PolarHBondContact O-N 3.23Å; Q619-L621 PolarHBondContact O-N 3.4Å; L621-N638 WeakPolarHBondContact CD2-ND2 3.31Å
622	H	88.1	Confident	89	Confident	80 Å²	80	76.8 Å²	76.8	37%	0.37	38%	0.384	S	S	.	.	H	α-helix	trans	-84.2	-49	177.3	-57.4	-63.4	0	0	0	111	C602 E604 C605 H618 Q619 G624	C602-H622 PolarHBondContact SG-NE2 2.92Å; E604-H622 IonicContact OE1-CD2 3.37Å; E604-H622 PolarHBondContact OE1-CD2 3.2Å; E604-H622 IonicContact OE1-CG 3.41Å; E604-H622 VanDerWaalsContact OE2-CB 3.22Å; E604-H622 WeakPolarHBondContact OE2-CB 3.32Å; E604-H622 IonicContact OE2-CG 3.38Å; C605-H622 WeakPolarHBondContact CB-CE1 3.37Å; C605-H622 PolarHBondContact SG-CE1 3.05Å; C605-H622 PolarHBondContact SG-NE2 2.73Å; H618-H622 AromaticContact CD2-NE2 3.48Å; H618-H622 PolarHBondContact CD2-NE2 3.13Å; H618-H622 AromaticContact CE1-NE2 3.68Å; H618-H622 AromaticContact NE2-NE2 2.83Å; H618-H622 PolarHBondContact NE2-NE2 3.36Å; Q619-H622 PolarHBondContact O-N 3.34Å; H622-G624 PolarHBondContact O-N 3Å
623	T	86.9	Confident	89.1	Confident	82 Å²	82	77 Å²	77	50%	0.503	39%	0.385	S	S	.	.	S	Bend	trans	-69	-12.8	176	66.5	0	0	0	0	113.4	Q619 E625	Q619-T623 PolarHBondContact O-N 3.48Å; T623-E625 PolarHBondContact O-N 2.91Å; T623-E625 WeakPolarHBondContact OG1-CB 3.44Å; T623-E625 WeakPolarHBondContact OG1-CG 3.25Å; T623-E625 PolarHBondContact OG1-N 2.94Å; T623-E625 PolarHBondContact OG1-OE1 3.39Å
624	G	87	Confident	89.2	Confident	40 Å²	40	72.9 Å²	72.9	41%	0.412	38%	0.377	S	S	.	.			trans	70.9	3.6	-176.4	0	0	0	0	0	114.7	R620 H622 K626	R620-G624 CarbonylContact O-C 3.59Å; R620-G624 PolarHBondContact O-N 3.09Å; H622-G624 PolarHBondContact O-N 3Å; G624-K626 WeakPolarHBondContact O-CG 3.41Å; G624-K626 PolarHBondContact O-N 3.42Å
625	E	88.3	Confident	89.2	Confident	101 Å²	101	77.7 Å²	77.7	47%	0.472	39%	0.394	S	S	.	.			trans	-54.4	127.4	-176.8	-86.9	173.7	-141.9	0	0	113.5	R620 T623	R620-E625 HydrophobicContact CB-CB 4.19Å; R620-E625 HydrophobicContact CG-CB 4.02Å; R620-E625 PolarHBondContact O-N 2.74Å; T623-E625 PolarHBondContact O-N 2.91Å; T623-E625 WeakPolarHBondContact OG1-CB 3.44Å; T623-E625 WeakPolarHBondContact OG1-CG 3.25Å; T623-E625 PolarHBondContact OG1-N 2.94Å; T623-E625 PolarHBondContact OG1-OE1 3.39Å
626	K	90.2	Very high	89.2	Confident	124 Å²	124	78.9 Å²	78.9	54%	0.539	41%	0.405	S	S	.	.			trans	-132	76.6	179.1	-72.4	157.3	-177.8	172.2	0	110.3	G624 Y628 S636 F637	G624-K626 WeakPolarHBondContact O-CG 3.41Å; G624-K626 PolarHBondContact O-N 3.42Å; K626-Y628 VanDerWaalsContact C-N 3.26Å; K626-Y628 PolarHBondContact O-N 3.34Å; K626-S636 WeakPolarHBondContact CD-O 3.22Å; K626-S636 WeakPolarHBondContact O-CB 3.5Å; K626-F637 CarbonylContact C-O 3.54Å; K626-F637 WeakPolarHBondContact CA-O 3.31Å
627	P	89.3	Confident	89.3	Confident	71 Å²	71	77.2 Å²	77.2	46%	0.461	39%	0.394	S	S	.	.			trans	-64.9	-26.9	-174.4	-22.8	35	0	0	0	114.1	K629	P627-K629 PolarHBondContact O-N 2.99Å
628	Y	91.4	Very high	89.2	Confident	73 Å²	73	73.5 Å²	73.5	29%	0.286	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	93.7	-171.2	-51.9	-80.1	0	0	0	110	K626 S636 F637 N640	K626-Y628 VanDerWaalsContact C-N 3.26Å; K626-Y628 PolarHBondContact O-N 3.34Å; Y628-S636 CarbonylContact O-C 3.54Å; Y628-S636 WeakPolarHBondContact O-CA 3.24Å; Y628-F637 WeakPolarHBondContact CD2-O 3.3Å; Y628-F637 PolarHBondContact N-O 3.37Å; Y628-F637 VanDerWaalsContact N-O 3.1Å; Y628-F637 PolarHBondContact O-N 2.79Å; Y628-N640 HydrophobicContact CD1-CB 3.7Å; Y628-N640 WeakPolarHBondContact CD1-OD1 3.44Å; Y628-N640 HydrophobicContact CE1-CB 3.67Å; Y628-N640 HydrophobicContact CG-CB 4.21Å
629	K	91.6	Very high	89.2	Confident	123 Å²	123	74.2 Å²	74.2	54%	0.535	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.9	-178.9	-174.4	173.9	-179.9	-177.9	0	111.9	P627 G634	P627-K629 PolarHBondContact O-N 2.99Å; K629-G634 WeakPolarHBondContact CE-O 3.44Å
630	C	92.6	Very high	89.2	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.007	38%	0.384	C	S	.	.			trans	-73.7	123.8	166.9	176.9	0	0	0	0	110.1	G634 K635 F637 L643 H650	C630-G634 WeakPolarHBondContact O-CA 3.45Å; C630-G634 PolarHBondContact O-N 3.15Å; C630-K635 VanDerWaalsContact CB-O 3.28Å; C630-K635 WeakPolarHBondContact CB-O 3.37Å; C630-K635 PolarHBondContact N-O 3.2Å; C630-F637 HydrophobicContact CB-CE2 4.47Å; C630-L643 HydrophobicContact CB-CD1 3.62Å; C630-H650 PolarHBondContact SG-NE2 3.49Å
631	N	89.9	Confident	89	Confident	148 Å²	148	72.3 Å²	72.3	79%	0.791	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-35.8	-179.4	-68.8	-30.9	0	0	0	112.4
632	E	87.9	Confident	89	Confident	121 Å²	121	71.1 Å²	71.1	57%	0.565	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-47.1	-173.7	-63.6	173.7	-103.5	0	0	113.6	H650	E632-H650 IonicContact OE1-CD2 3.76Å; E632-H650 PolarHBondContact OE1-CD2 2.82Å; E632-H650 VanDerWaalsContact OE1-CD2 3.31Å; E632-H650 IonicContact OE1-CG 3.57Å; E632-H650 WeakPolarHBondContact OE2-CB 3.49Å; E632-H650 IonicContact OE2-CD2 3.73Å; E632-H650 IonicContact OE2-CG 3.31Å
633	C	89.6	Confident	89.1	Confident	52 Å²	52	68 Å²	68	35%	0.351	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	7.5	-177.1	80.8	0	0	0	0	114.4	K635 H646	C633-K635 PolarHBondContact O-N 3.06Å; C633-K635 VanDerWaalsContact SG-CD 3.6Å; C633-H646 PolarHBondContact SG-NE2 3.44Å
634	G	87.6	Confident	89.1	Confident	34 Å²	34	64.6 Å²	64.6	35%	0.351	34%	0.34	S	S	.	.			trans	70.6	-6.3	174.8	0	0	0	0	0	116.6	K629 C630	K629-G634 WeakPolarHBondContact CE-O 3.44Å; C630-G634 WeakPolarHBondContact O-CA 3.45Å; C630-G634 PolarHBondContact O-N 3.15Å
635	K	89.8	Confident	89.1	Confident	127 Å²	127	64.7 Å²	64.7	55%	0.552	33%	0.331	S	S	*	.			trans	-66.8	133.6	-179	-68.2	175.1	-171.2	165.4	0	111.3	C630 C633 F637	C630-K635 VanDerWaalsContact CB-O 3.28Å; C630-K635 WeakPolarHBondContact CB-O 3.37Å; C630-K635 PolarHBondContact N-O 3.2Å; C633-K635 PolarHBondContact O-N 3.06Å; C633-K635 VanDerWaalsContact SG-CD 3.6Å; K635-F637 HydrophobicContact CB-CE2 4.03Å; K635-F637 HydrophobicContact CB-CZ 4.17Å; K635-F637 WeakPolarHBondContact O-CE2 3.31Å
636	S	90.7	Very high	89.1	Confident	47 Å²	47	60.6 Å²	60.6	33%	0.329	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.6	-179.1	-51	0	0	0	0	113.2	K626 Y628	K626-S636 WeakPolarHBondContact CD-O 3.22Å; K626-S636 WeakPolarHBondContact O-CB 3.5Å; Y628-S636 CarbonylContact O-C 3.54Å; Y628-S636 WeakPolarHBondContact O-CA 3.24Å
637	F	89.3	Confident	89	Confident	46 Å²	46	57.1 Å²	57.1	20%	0.202	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.5	-175.2	-57.5	-90.9	0	0	0	111.4	K626 Y628 C630 K635 H642 L643 H646	K626-F637 CarbonylContact C-O 3.54Å; K626-F637 WeakPolarHBondContact CA-O 3.31Å; Y628-F637 WeakPolarHBondContact CD2-O 3.3Å; Y628-F637 PolarHBondContact N-O 3.37Å; Y628-F637 VanDerWaalsContact N-O 3.1Å; Y628-F637 PolarHBondContact O-N 2.79Å; C630-F637 HydrophobicContact CB-CE2 4.47Å; K635-F637 HydrophobicContact CB-CE2 4.03Å; K635-F637 HydrophobicContact CB-CZ 4.17Å; K635-F637 WeakPolarHBondContact O-CE2 3.31Å; F637-H642 HydrophobicContact CB-CB 4.09Å; F637-H642 HydrophobicContact CD1-CB 3.83Å; F637-H642 HydrophobicContact CG-CB 4.17Å; F637-L643 HydrophobicContact CD2-CB 4.06Å; F637-L643 HydrophobicContact CD2-CD1 4.13Å; F637-L643 HydrophobicContact CE2-CD1 4.28Å; F637-H646 HydrophobicContact CE1-CB 4.19Å; F637-H646 HydrophobicContact CE2-CB 3.96Å; F637-H646 AromaticContact CE2-CD2 3.35Å; F637-H646 WeakPolarHBondContact CE2-CD2 3.46Å; F637-H646 AromaticContact CE2-CG 3.73Å; F637-H646 HydrophobicContact CZ-CB 3.59Å; F637-H646 AromaticContact CZ-CD2 3.43Å; F637-H646 VanDerWaalsContact CZ-CD2 3.43Å; F637-H646 WeakPolarHBondContact CZ-CD2 3.48Å; F637-H646 AromaticContact CZ-CG 3.37Å
638	N	87.1	Confident	88.9	Confident	28 Å²	28	55.5 Å²	55.5	15%	0.15	28%	0.282	C	S	.	.	S	Bend	trans	-85.4	-10.4	179.7	59.7	0.4	0	0	0	114.1	R620 L621 H642	R620-N638 HydrophobicContact CB-CB 4.48Å; R620-N638 PolarHBondContact NH1-O 3.4Å; L621-N638 WeakPolarHBondContact CD2-ND2 3.31Å; N638-H642 PolarHBondContact OD1-ND1 3.37Å
639	Q	88.2	Confident	88.6	Confident	37 Å²	37	57.5 Å²	57.5	17%	0.173	30%	0.297	C	S	.	.	S	Bend	trans	-138.8	139.3	-179.1	-68.4	177.4	83.1	0	0	110.1	R617 S641 H642	R617-Q639 HydrophobicContact CG-CG 4.16Å; Q639-S641 VanDerWaalsContact C-N 3.34Å; Q639-S641 PolarHBondContact O-N 3.46Å; Q639-H642 PolarHBondContact NE2-CE1 2.94Å; Q639-H642 PolarHBondContact O-N 3.24Å
640	N	89.2	Confident	88.4	Confident	46 Å²	46	54.8 Å²	54.8	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-42.3	-179.2	-159.4	35.5	0	0	0	112.1	Y628 H642 L643 I644	Y628-N640 HydrophobicContact CD1-CB 3.7Å; Y628-N640 WeakPolarHBondContact CD1-OD1 3.44Å; Y628-N640 HydrophobicContact CE1-CB 3.67Å; Y628-N640 HydrophobicContact CG-CB 4.21Å; N640-H642 PolarHBondContact O-N 2.7Å; N640-H642 VanDerWaalsContact O-N 3.14Å; N640-L643 WeakPolarHBondContact O-CA 3.43Å; N640-L643 VanDerWaalsContact O-CB 3.32Å; N640-L643 WeakPolarHBondContact O-CB 3.15Å; N640-L643 PolarHBondContact O-N 3.05Å; N640-I644 WeakPolarHBondContact O-CD1 3.08Å; N640-I644 VanDerWaalsContact O-CG1 3.3Å; N640-I644 WeakPolarHBondContact O-CG1 3.34Å; N640-I644 PolarHBondContact O-N 3.28Å
641	S	86.8	Confident	88	Confident	34 Å²	34	58.5 Å²	58.5	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-53.9	-35.4	177.5	51.8	0	0	0	0	113.8	Q639 I645	Q639-S641 VanDerWaalsContact C-N 3.34Å; Q639-S641 PolarHBondContact O-N 3.46Å; S641-I645 WeakPolarHBondContact O-CB 3.47Å; S641-I645 WeakPolarHBondContact O-CD1 3.36Å; S641-I645 WeakPolarHBondContact O-CG1 3.46Å; S641-I645 PolarHBondContact O-N 3.39Å; S641-I645 VanDerWaalsContact O-N 3.12Å
642	H	88.1	Confident	87.7	Confident	79 Å²	79	53.5 Å²	53.5	37%	0.366	29%	0.293	S	S	.	.	H	α-helix	trans	-71.8	-30.8	175.5	-64.1	168.7	0	0	0	112.5	F637 N638 Q639 N640 H646	F637-H642 HydrophobicContact CB-CB 4.09Å; F637-H642 HydrophobicContact CD1-CB 3.83Å; F637-H642 HydrophobicContact CG-CB 4.17Å; N638-H642 PolarHBondContact OD1-ND1 3.37Å; Q639-H642 PolarHBondContact NE2-CE1 2.94Å; Q639-H642 PolarHBondContact O-N 3.24Å; N640-H642 PolarHBondContact O-N 2.7Å; N640-H642 VanDerWaalsContact O-N 3.14Å; H642-H646 WeakPolarHBondContact O-CB 3.41Å; H642-H646 PolarHBondContact O-N 3.25Å
643	L	90.7	Very high	87.5	Confident	15 Å²	15	52.9 Å²	52.9	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-69.3	-46	172.5	171.7	60.1	0	0	0	111.3	C630 F637 N640 I645 H646 Q647	C630-L643 HydrophobicContact CB-CD1 3.62Å; F637-L643 HydrophobicContact CD2-CB 4.06Å; F637-L643 HydrophobicContact CD2-CD1 4.13Å; F637-L643 HydrophobicContact CE2-CD1 4.28Å; N640-L643 WeakPolarHBondContact O-CA 3.43Å; N640-L643 VanDerWaalsContact O-CB 3.32Å; N640-L643 WeakPolarHBondContact O-CB 3.15Å; N640-L643 PolarHBondContact O-N 3.05Å; L643-I645 PolarHBondContact O-N 3.24Å; L643-H646 WeakPolarHBondContact O-CA 3.42Å; L643-H646 WeakPolarHBondContact O-CB 3.33Å; L643-H646 PolarHBondContact O-N 2.8Å; L643-H646 VanDerWaalsContact O-N 3.09Å; L643-Q647 HydrophobicContact CD1-CG 4.26Å; L643-Q647 PolarHBondContact O-N 3.29Å
644	I	86.9	Confident	87.3	Confident	9 Å²	9	55.9 Å²	55.9	5%	0.046	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-47.5	179.3	-29.7	-53.7	0	0	0	110.5	E227 L229 N640 H646 Q647 R648	E227-I644 HydrophobicContact CB-CD1 3.98Å; E227-I644 HydrophobicContact CG-CD1 3.89Å; E227-I644 WeakPolarHBondContact OE1-CD1 3.46Å; E227-I644 WeakPolarHBondContact OE2-CG2 3.3Å; L229-I644 HydrophobicContact CB-CG1 4.47Å; L229-I644 HydrophobicContact CD1-CB 3.64Å; L229-I644 HydrophobicContact CD1-CG1 3.69Å; L229-I644 HydrophobicContact CD1-CG2 3.9Å; L229-I644 HydrophobicContact CG-CB 4.42Å; L229-I644 HydrophobicContact CG-CG1 3.92Å; N640-I644 WeakPolarHBondContact O-CD1 3.08Å; N640-I644 VanDerWaalsContact O-CG1 3.3Å; N640-I644 WeakPolarHBondContact O-CG1 3.34Å; N640-I644 PolarHBondContact O-N 3.28Å; I644-H646 PolarHBondContact O-N 3.2Å; I644-Q647 PolarHBondContact O-N 3.22Å; I644-Q647 VanDerWaalsContact O-N 3.15Å; I644-R648 PolarHBondContact O-N 2.95Å
645	I	86.5	Confident	87.3	Confident	43 Å²	43	57.7 Å²	57.7	22%	0.221	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-32.7	176	-73.1	170.8	0	0	0	111.5	S641 L643 Y667	S641-I645 WeakPolarHBondContact O-CB 3.47Å; S641-I645 WeakPolarHBondContact O-CD1 3.36Å; S641-I645 WeakPolarHBondContact O-CG1 3.46Å; S641-I645 PolarHBondContact O-N 3.39Å; S641-I645 VanDerWaalsContact O-N 3.12Å; L643-I645 PolarHBondContact O-N 3.24Å; I645-Y667 HydrophobicContact CG2-CD1 4.3Å; I645-Y667 HydrophobicContact CG2-CE1 3.36Å; I645-Y667 VanDerWaalsContact CG2-OH 3.3Å; I645-Y667 WeakPolarHBondContact CG2-OH 3.33Å
646	H	87.9	Confident	87.2	Confident	15 Å²	15	54.5 Å²	54.5	7%	0.069	29%	0.287	C	S	.	.	H	α-helix	trans	-74.5	-37.3	175.7	171.9	51	0	0	0	113.2	C633 F637 H642 L643 I644 R648 I649 H650	C633-H646 PolarHBondContact SG-NE2 3.44Å; F637-H646 HydrophobicContact CE1-CB 4.19Å; F637-H646 HydrophobicContact CE2-CB 3.96Å; F637-H646 AromaticContact CE2-CD2 3.35Å; F637-H646 WeakPolarHBondContact CE2-CD2 3.46Å; F637-H646 AromaticContact CE2-CG 3.73Å; F637-H646 HydrophobicContact CZ-CB 3.59Å; F637-H646 AromaticContact CZ-CD2 3.43Å; F637-H646 VanDerWaalsContact CZ-CD2 3.43Å; F637-H646 WeakPolarHBondContact CZ-CD2 3.48Å; F637-H646 AromaticContact CZ-CG 3.37Å; H642-H646 WeakPolarHBondContact O-CB 3.41Å; H642-H646 PolarHBondContact O-N 3.25Å; L643-H646 WeakPolarHBondContact O-CA 3.42Å; L643-H646 WeakPolarHBondContact O-CB 3.33Å; L643-H646 PolarHBondContact O-N 2.8Å; L643-H646 VanDerWaalsContact O-N 3.09Å; I644-H646 PolarHBondContact O-N 3.2Å; H646-R648 PolarHBondContact O-N 3.5Å; H646-I649 VanDerWaalsContact O-CB 3.24Å; H646-I649 WeakPolarHBondContact O-CB 3.44Å; H646-I649 WeakPolarHBondContact O-CG1 3.47Å; H646-I649 PolarHBondContact O-N 2.94Å; H646-H650 AromaticContact CD2-NE2 3.89Å; H646-H650 AromaticContact CE1-CE1 3.47Å; H646-H650 PolarHBondContact CE1-CE1 3.19Å; H646-H650 VanDerWaalsContact CE1-CE1 3.47Å; H646-H650 AromaticContact CE1-NE2 3.43Å; H646-H650 PolarHBondContact CE1-NE2 3.08Å; H646-H650 AromaticContact NE2-CE1 3.58Å; H646-H650 AromaticContact NE2-NE2 3.14Å; H646-H650 PolarHBondContact NE2-NE2 3.08Å; H646-H650 VanDerWaalsContact NE2-NE2 3.14Å
647	Q	87.3	Confident	87.2	Confident	50 Å²	50	56.8 Å²	56.8	23%	0.234	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-30.5	177.9	-78.5	177.1	89.5	0	0	112.7	E227 L643 I644 I649 H650 T651	E227-Q647 PolarHBondContact OE1-NE2 3.49Å; L643-Q647 HydrophobicContact CD1-CG 4.26Å; L643-Q647 PolarHBondContact O-N 3.29Å; I644-Q647 PolarHBondContact O-N 3.22Å; I644-Q647 VanDerWaalsContact O-N 3.15Å; Q647-I649 PolarHBondContact O-N 2.78Å; Q647-H650 PolarHBondContact O-N 3.14Å; Q647-T651 PolarHBondContact O-N 3.07Å; Q647-T651 PolarHBondContact O-OG1 3.47Å
648	R	87.8	Confident	87.3	Confident	37 Å²	37	54.6 Å²	54.6	14%	0.14	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.2	170.7	-61.4	179.5	-175.1	173.1	1.4	114.7	I644 H646 T651 G652 E653 Y656 S666	I644-R648 PolarHBondContact O-N 2.95Å; H646-R648 PolarHBondContact O-N 3.5Å; R648-T651 WeakPolarHBondContact CA-OG1 3.41Å; R648-G652 CarbonylContact O-C 3.53Å; R648-G652 WeakPolarHBondContact O-CA 3.42Å; R648-G652 PolarHBondContact O-N 2.81Å; R648-E653 HydrophobicContact CG-CB 4.32Å; R648-E653 PolarHBondContact O-N 3.48Å; R648-Y656 PolarHBondContact NH1-OH 3.23Å; R648-S666 PolarHBondContact NH1-O 2.66Å
649	I	85.8	Confident	87.4	Confident	115 Å²	115	61.2 Å²	61.2	59%	0.59	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.7	173.5	-57.2	-177.7	0	0	0	111.1	H646 Q647	H646-I649 VanDerWaalsContact O-CB 3.24Å; H646-I649 WeakPolarHBondContact O-CB 3.44Å; H646-I649 WeakPolarHBondContact O-CG1 3.47Å; H646-I649 PolarHBondContact O-N 2.94Å; Q647-I649 PolarHBondContact O-N 2.78Å
650	H	86.4	Confident	87.3	Confident	66 Å²	66	65.1 Å²	65.1	31%	0.306	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-44	180	-40.3	-53.2	0	0	0	111.6	C630 E632 H646 Q647 G652	C630-H650 PolarHBondContact SG-NE2 3.49Å; E632-H650 IonicContact OE1-CD2 3.76Å; E632-H650 PolarHBondContact OE1-CD2 2.82Å; E632-H650 VanDerWaalsContact OE1-CD2 3.31Å; E632-H650 IonicContact OE1-CG 3.57Å; E632-H650 WeakPolarHBondContact OE2-CB 3.49Å; E632-H650 IonicContact OE2-CD2 3.73Å; E632-H650 IonicContact OE2-CG 3.31Å; H646-H650 AromaticContact CD2-NE2 3.89Å; H646-H650 AromaticContact CE1-CE1 3.47Å; H646-H650 PolarHBondContact CE1-CE1 3.19Å; H646-H650 VanDerWaalsContact CE1-CE1 3.47Å; H646-H650 AromaticContact CE1-NE2 3.43Å; H646-H650 PolarHBondContact CE1-NE2 3.08Å; H646-H650 AromaticContact NE2-CE1 3.58Å; H646-H650 AromaticContact NE2-NE2 3.14Å; H646-H650 PolarHBondContact NE2-NE2 3.08Å; H646-H650 VanDerWaalsContact NE2-NE2 3.14Å; Q647-H650 PolarHBondContact O-N 3.14Å; H650-G652 PolarHBondContact O-N 3.42Å
651	T	84.8	Confident	87.3	Confident	79 Å²	79	65.2 Å²	65.2	49%	0.485	34%	0.335	S	S	.	.	S	Bend	trans	-69.9	-17.4	174.9	65.6	0	0	0	0	113	Q647 R648 E653	Q647-T651 PolarHBondContact O-N 3.07Å; Q647-T651 PolarHBondContact O-OG1 3.47Å; R648-T651 WeakPolarHBondContact CA-OG1 3.41Å; T651-E653 PolarHBondContact O-N 3.25Å; T651-E653 WeakPolarHBondContact OG1-CG 3.22Å
652	G	83	Confident	87.3	Confident	44 Å²	44	65.7 Å²	65.7	45%	0.454	35%	0.345	S	S	.	.			trans	73.7	2.7	-178.1	0	0	0	0	0	114.7	R648 H650	R648-G652 CarbonylContact O-C 3.53Å; R648-G652 WeakPolarHBondContact O-CA 3.42Å; R648-G652 PolarHBondContact O-N 2.81Å; H650-G652 PolarHBondContact O-N 3.42Å
653	E	83.8	Confident	87.3	Confident	107 Å²	107	67.4 Å²	67.4	50%	0.5	35%	0.352	S	S	.	.			trans	-59.8	134.4	-174.1	-77.2	179.2	-179.8	0	0	113.8	R648 T651	R648-E653 HydrophobicContact CG-CB 4.32Å; R648-E653 PolarHBondContact O-N 3.48Å; T651-E653 PolarHBondContact O-N 3.25Å; T651-E653 WeakPolarHBondContact OG1-CG 3.22Å
654	K	86.4	Confident	87.2	Confident	115 Å²	115	70.1 Å²	70.1	50%	0.5	37%	0.369	S	S	.	.			trans	-132.9	74.7	177.8	-67.2	169.8	-168.4	167.7	0	110.5	Y656 V664 F665	K654-Y656 PolarHBondContact O-N 2.87Å; K654-V664 HydrophobicContact CB-CB 3.75Å; K654-V664 HydrophobicContact CB-CG2 3.96Å; K654-V664 HydrophobicContact CD-CB 4.39Å; K654-V664 HydrophobicContact CD-CG2 3.78Å; K654-F665 CarbonylContact C-O 3.56Å; K654-F665 VanDerWaalsContact CA-O 3.28Å; K654-F665 WeakPolarHBondContact CA-O 3.3Å
655	P	86.4	Confident	87.1	Confident	73 Å²	73	71.9 Å²	71.9	47%	0.474	38%	0.376	S	S	.	.			trans	-67.9	-6.2	-169.8	-21.7	34.9	0	0	0	115.6
656	Y	88.8	Confident	87	Confident	60 Å²	60	71.7 Å²	71.7	24%	0.235	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	92	-173.6	-51.6	-69.4	0	0	0	110.5	R648 K654 F665 S666 S668	R648-Y656 PolarHBondContact NH1-OH 3.23Å; K654-Y656 PolarHBondContact O-N 2.87Å; Y656-F665 WeakPolarHBondContact CB-O 3.47Å; Y656-F665 WeakPolarHBondContact CD2-O 3.47Å; Y656-F665 PolarHBondContact N-O 3.28Å; Y656-F665 VanDerWaalsContact N-O 3.15Å; Y656-F665 PolarHBondContact O-N 3.46Å; Y656-S666 WeakPolarHBondContact CE2-O 3.08Å; Y656-S668 VanDerWaalsContact CD2-N 3.29Å
657	E	90.1	Very high	86.8	Confident	95 Å²	95	75.6 Å²	75.6	44%	0.444	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142	176.5	-166.8	-173.9	148.5	0	0	112.5	V664 L671	E657-V664 HydrophobicContact CB-CG1 3.97Å; E657-V664 HydrophobicContact CG-CG1 3.85Å; E657-L671 WeakPolarHBondContact O-CD2 3.3Å
658	C	91.6	Very high	86.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	102.2	166.7	-170.3	0	0	0	0	111.1	E660 C661 G662 K663 F665 L671	C658-E660 PolarHBondContact O-N 3.4Å; C658-C661 PolarHBondContact O-N 2.94Å; C658-G662 PolarHBondContact O-N 3.37Å; C658-K663 WeakPolarHBondContact CB-O 3.24Å; C658-K663 PolarHBondContact N-O 2.76Å; C658-F665 HydrophobicContact CB-CE2 4.49Å; C658-L671 HydrophobicContact CB-CD1 3.57Å
659	H	88.3	Confident	86.7	Confident	166 Å²	166	77.8 Å²	77.8	77%	0.769	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-17.3	178.6	-55.7	-49.4	0	0	0	114.9
660	E	87.6	Confident	86.8	Confident	119 Å²	119	74.6 Å²	74.6	56%	0.556	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-16.1	178.4	-62.8	174.8	129.4	0	0	113.2	C658 H678	C658-E660 PolarHBondContact O-N 3.4Å; E660-H678 WeakPolarHBondContact OE2-CB 3.48Å; E660-H678 IonicContact OE2-CD2 3Å; E660-H678 PolarHBondContact OE2-CD2 3.43Å; E660-H678 IonicContact OE2-CG 2.86Å
661	C	89.1	Confident	87	Confident	48 Å²	48	72.4 Å²	72.4	32%	0.324	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	9.5	-178	72.3	0	0	0	0	116.7	C658 K663 H674 H678	C658-C661 PolarHBondContact O-N 2.94Å; C661-K663 PolarHBondContact O-N 3.02Å; C661-K663 VanDerWaalsContact O-N 3.15Å; C661-H674 PolarHBondContact SG-NE2 3.28Å; C661-H678 WeakPolarHBondContact CB-NE2 3.3Å; C661-H678 PolarHBondContact SG-NE2 3.23Å
662	G	86.3	Confident	87.2	Confident	45 Å²	45	73.5 Å²	73.5	46%	0.464	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	4.8	178.9	0	0	0	0	0	115.7	C658 V664	C658-G662 PolarHBondContact O-N 3.37Å; G662-V664 PolarHBondContact O-N 3.28Å
663	K	87.5	Confident	87.4	Confident	115 Å²	115	73.4 Å²	73.4	50%	0.5	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123	-178.8	-72.6	179.1	-178	172.3	0	111.1	C658 C661 F665	C658-K663 WeakPolarHBondContact CB-O 3.24Å; C658-K663 PolarHBondContact N-O 2.76Å; C661-K663 PolarHBondContact O-N 3.02Å; C661-K663 VanDerWaalsContact O-N 3.15Å; K663-F665 HydrophobicContact CB-CE2 3.77Å; K663-F665 HydrophobicContact CB-CZ 4.04Å; K663-F665 WeakPolarHBondContact O-CD2 3.2Å; K663-F665 VanDerWaalsContact O-CE2 3.24Å; K663-F665 WeakPolarHBondContact O-CE2 3.37Å
664	V	88.3	Confident	87.7	Confident	71 Å²	71	69.4 Å²	69.4	43%	0.43	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.6	-178.9	-69.9	0	0	0	0	112.7	K654 E657 G662	K654-V664 HydrophobicContact CB-CB 3.75Å; K654-V664 HydrophobicContact CB-CG2 3.96Å; K654-V664 HydrophobicContact CD-CB 4.39Å; K654-V664 HydrophobicContact CD-CG2 3.78Å; E657-V664 HydrophobicContact CB-CG1 3.97Å; E657-V664 HydrophobicContact CG-CG1 3.85Å; G662-V664 PolarHBondContact O-N 3.28Å
665	F	86.4	Confident	87.8	Confident	47 Å²	47	67.4 Å²	67.4	21%	0.206	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.2	-177.6	-59.1	-92.8	0	0	0	111.5	K654 Y656 C658 K663 L671 H674	K654-F665 CarbonylContact C-O 3.56Å; K654-F665 VanDerWaalsContact CA-O 3.28Å; K654-F665 WeakPolarHBondContact CA-O 3.3Å; Y656-F665 WeakPolarHBondContact CB-O 3.47Å; Y656-F665 WeakPolarHBondContact CD2-O 3.47Å; Y656-F665 PolarHBondContact N-O 3.28Å; Y656-F665 VanDerWaalsContact N-O 3.15Å; Y656-F665 PolarHBondContact O-N 3.46Å; C658-F665 HydrophobicContact CB-CE2 4.49Å; K663-F665 HydrophobicContact CB-CE2 3.77Å; K663-F665 HydrophobicContact CB-CZ 4.04Å; K663-F665 WeakPolarHBondContact O-CD2 3.2Å; K663-F665 VanDerWaalsContact O-CE2 3.24Å; K663-F665 WeakPolarHBondContact O-CE2 3.37Å; F665-L671 HydrophobicContact CB-CB 4.46Å; F665-L671 HydrophobicContact CD2-CB 4.09Å; F665-L671 HydrophobicContact CD2-CD1 4.03Å; F665-L671 HydrophobicContact CE2-CD1 4.22Å; F665-L671 HydrophobicContact CG-CB 4.43Å; F665-H674 HydrophobicContact CE1-CB 4.17Å; F665-H674 HydrophobicContact CE2-CB 4.01Å; F665-H674 AromaticContact CE2-CD2 3.34Å; F665-H674 WeakPolarHBondContact CE2-CD2 3.38Å; F665-H674 AromaticContact CE2-CG 3.87Å; F665-H674 HydrophobicContact CZ-CB 3.59Å; F665-H674 AromaticContact CZ-CD2 3.33Å; F665-H674 WeakPolarHBondContact CZ-CD2 3.35Å; F665-H674 AromaticContact CZ-CG 3.45Å; F665-H674 VanDerWaalsContact CZ-CG 3.45Å
666	S	83.4	Confident	88	Confident	39 Å²	39	65.8 Å²	65.8	27%	0.273	35%	0.348	S	S	.	.	S	Bend	trans	-83.7	-10.6	175.7	45.6	0	0	0	0	114	R648 Y656	R648-S666 PolarHBondContact NH1-O 2.66Å; Y656-S666 WeakPolarHBondContact CE2-O 3.08Å
667	Y	83.9	Confident	88	Confident	97 Å²	97	66.8 Å²	66.8	38%	0.38	36%	0.36	S	S	.	.	S	Bend	trans	-130.1	135.9	178.8	-62.4	-101.6	0	0	0	111.3	I645 S669 S670 L671	I645-Y667 HydrophobicContact CG2-CD1 4.3Å; I645-Y667 HydrophobicContact CG2-CE1 3.36Å; I645-Y667 VanDerWaalsContact CG2-OH 3.3Å; I645-Y667 WeakPolarHBondContact CG2-OH 3.33Å; Y667-S669 VanDerWaalsContact C-N 3.31Å; Y667-S669 PolarHBondContact O-N 2.68Å; Y667-S670 WeakPolarHBondContact O-CB 3.5Å; Y667-S670 PolarHBondContact O-N 3.04Å; Y667-L671 PolarHBondContact O-N 2.96Å
668	S	86.9	Confident	87.9	Confident	63 Å²	63	66.8 Å²	66.8	44%	0.441	36%	0.36	S	S	.	.	H	α-helix	trans	-66.1	-31.2	177	53.8	0	0	0	0	113	Y656 L671 M672	Y656-S668 VanDerWaalsContact CD2-N 3.29Å; S668-L671 PolarHBondContact O-N 2.66Å; S668-M672 PolarHBondContact O-N 3.14Å
669	S	86.2	Confident	87.6	Confident	69 Å²	69	70.7 Å²	70.7	48%	0.483	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-38.4	173	52.1	0	0	0	0	112.3	Y667 M672 V673	Y667-S669 VanDerWaalsContact C-N 3.31Å; Y667-S669 PolarHBondContact O-N 2.68Å; S669-M672 PolarHBondContact O-N 3.15Å; S669-V673 WeakPolarHBondContact O-CG2 3.45Å; S669-V673 PolarHBondContact O-N 2.74Å
670	S	87.9	Confident	87.5	Confident	48 Å²	48	65.1 Å²	65.1	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-40.8	174.5	-57	0	0	0	0	111.8	Y667 H674	Y667-S670 WeakPolarHBondContact O-CB 3.5Å; Y667-S670 PolarHBondContact O-N 3.04Å; S670-H674 WeakPolarHBondContact O-CB 3.42Å; S670-H674 PolarHBondContact O-N 3.38Å
671	L	90.6	Very high	87.5	Confident	21 Å²	21	64.9 Å²	64.9	11%	0.11	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-46.4	171.7	174.5	60.7	0	0	0	111.3	E657 C658 F665 Y667 S668 V673 H674 Q675	E657-L671 WeakPolarHBondContact O-CD2 3.3Å; C658-L671 HydrophobicContact CB-CD1 3.57Å; F665-L671 HydrophobicContact CB-CB 4.46Å; F665-L671 HydrophobicContact CD2-CB 4.09Å; F665-L671 HydrophobicContact CD2-CD1 4.03Å; F665-L671 HydrophobicContact CE2-CD1 4.22Å; F665-L671 HydrophobicContact CG-CB 4.43Å; Y667-L671 PolarHBondContact O-N 2.96Å; S668-L671 PolarHBondContact O-N 2.66Å; L671-V673 PolarHBondContact O-N 3.5Å; L671-H674 CarbonylContact O-C 3.31Å; L671-H674 WeakPolarHBondContact O-CA 3.33Å; L671-H674 WeakPolarHBondContact O-CB 3.46Å; L671-H674 PolarHBondContact O-N 2.89Å; L671-H674 VanDerWaalsContact O-N 3.09Å; L671-Q675 HydrophobicContact CD1-CG 4.08Å; L671-Q675 HydrophobicContact CG-CG 4.42Å; L671-Q675 WeakPolarHBondContact O-CG 3.32Å; L671-Q675 PolarHBondContact O-N 3.44Å
672	M	88.4	Confident	87.6	Confident	102 Å²	102	68.4 Å²	68.4	50%	0.502	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-42.9	179.5	-173.7	-170.7	-64.3	0	0	112.5	S668 S669 H674 Q675 R676	S668-M672 PolarHBondContact O-N 3.14Å; S669-M672 PolarHBondContact O-N 3.15Å; M672-H674 VanDerWaalsContact C-N 3.28Å; M672-H674 PolarHBondContact O-N 3.31Å; M672-Q675 PolarHBondContact O-N 2.82Å; M672-R676 PolarHBondContact O-N 3.01Å
673	V	88.3	Confident	87.7	Confident	42 Å²	42	69.7 Å²	69.7	26%	0.255	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-31.1	174.7	170.7	0	0	0	0	111.3	S669 L671 D695	S669-V673 WeakPolarHBondContact O-CG2 3.45Å; S669-V673 PolarHBondContact O-N 2.74Å; L671-V673 PolarHBondContact O-N 3.5Å; V673-D695 HydrophobicContact CG1-CB 3.99Å; V673-D695 HydrophobicContact CG2-CB 4.38Å
674	H	89.2	Confident	87.9	Confident	23 Å²	23	67.7 Å²	67.7	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-72.9	-40.8	174.2	178	41.9	0	0	0	113.2	C661 F665 S670 L671 M672 R676 T677 H678	C661-H674 PolarHBondContact SG-NE2 3.28Å; F665-H674 HydrophobicContact CE1-CB 4.17Å; F665-H674 HydrophobicContact CE2-CB 4.01Å; F665-H674 AromaticContact CE2-CD2 3.34Å; F665-H674 WeakPolarHBondContact CE2-CD2 3.38Å; F665-H674 AromaticContact CE2-CG 3.87Å; F665-H674 HydrophobicContact CZ-CB 3.59Å; F665-H674 AromaticContact CZ-CD2 3.33Å; F665-H674 WeakPolarHBondContact CZ-CD2 3.35Å; F665-H674 AromaticContact CZ-CG 3.45Å; F665-H674 VanDerWaalsContact CZ-CG 3.45Å; S670-H674 WeakPolarHBondContact O-CB 3.42Å; S670-H674 PolarHBondContact O-N 3.38Å; L671-H674 CarbonylContact O-C 3.31Å; L671-H674 WeakPolarHBondContact O-CA 3.33Å; L671-H674 WeakPolarHBondContact O-CB 3.46Å; L671-H674 PolarHBondContact O-N 2.89Å; L671-H674 VanDerWaalsContact O-N 3.09Å; M672-H674 VanDerWaalsContact C-N 3.28Å; M672-H674 PolarHBondContact O-N 3.31Å; H674-R676 PolarHBondContact O-N 2.9Å; H674-T677 PolarHBondContact CE1-OG1 2.98Å; H674-T677 PolarHBondContact ND1-OG1 3.18Å; H674-T677 WeakPolarHBondContact O-CA 3.08Å; H674-T677 VanDerWaalsContact O-CB 3.31Å; H674-T677 WeakPolarHBondContact O-CB 3.08Å; H674-T677 PolarHBondContact O-N 3Å; H674-T677 PolarHBondContact O-OG1 2.92Å; H674-H678 AromaticContact CE1-NE2 3.89Å
675	Q	87.9	Confident	88	Confident	73 Å²	73	71.2 Å²	71.2	34%	0.341	38%	0.379	S	S	.	.	H	α-helix	trans	-57.1	-35.3	175.4	-75.1	169.2	-31.6	0	0	111.8	L671 M672 T677 H678 T679	L671-Q675 HydrophobicContact CD1-CG 4.08Å; L671-Q675 HydrophobicContact CG-CG 4.42Å; L671-Q675 WeakPolarHBondContact O-CG 3.32Å; L671-Q675 PolarHBondContact O-N 3.44Å; M672-Q675 PolarHBondContact O-N 2.82Å; Q675-T677 PolarHBondContact O-N 3.49Å; Q675-T677 VanDerWaalsContact O-N 3.12Å; Q675-H678 PolarHBondContact O-N 3.46Å; Q675-T679 PolarHBondContact O-N 3.41Å; Q675-T679 VanDerWaalsContact O-N 3.11Å
676	R	90.6	Very high	88.3	Confident	38 Å²	38	69 Å²	69	14%	0.143	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-18.2	171.1	-67.4	177.6	-173.7	154.5	6.6	114.7	M672 H674 T679 G680 E681 S694	M672-R676 PolarHBondContact O-N 3.01Å; H674-R676 PolarHBondContact O-N 2.9Å; R676-T679 WeakPolarHBondContact CA-OG1 3.46Å; R676-G680 CarbonylContact O-C 3.55Å; R676-G680 WeakPolarHBondContact O-CA 3.43Å; R676-G680 PolarHBondContact O-N 2.92Å; R676-E681 HydrophobicContact CB-CB 4.33Å; R676-E681 HydrophobicContact CG-CB 4.08Å; R676-E681 PolarHBondContact O-N 3.11Å; R676-S694 VanDerWaalsContact CD-O 3.29Å; R676-S694 WeakPolarHBondContact CD-O 3.42Å; R676-S694 PolarHBondContact NH1-O 2.98Å
677	T	88.6	Confident	88.6	Confident	82 Å²	82	74.5 Å²	74.5	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-80.1	-20.9	173.2	70.4	0	0	0	0	113.1	H674 Q675	H674-T677 PolarHBondContact CE1-OG1 2.98Å; H674-T677 PolarHBondContact ND1-OG1 3.18Å; H674-T677 WeakPolarHBondContact O-CA 3.08Å; H674-T677 VanDerWaalsContact O-CB 3.31Å; H674-T677 WeakPolarHBondContact O-CB 3.08Å; H674-T677 PolarHBondContact O-N 3Å; H674-T677 PolarHBondContact O-OG1 2.92Å; Q675-T677 PolarHBondContact O-N 3.49Å; Q675-T677 VanDerWaalsContact O-N 3.12Å
678	H	87.9	Confident	88.7	Confident	94 Å²	94	74.9 Å²	74.9	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-86.6	-45.1	171.7	-59.4	-55.7	0	0	0	111.4	E660 C661 H674 Q675 G680	E660-H678 WeakPolarHBondContact OE2-CB 3.48Å; E660-H678 IonicContact OE2-CD2 3Å; E660-H678 PolarHBondContact OE2-CD2 3.43Å; E660-H678 IonicContact OE2-CG 2.86Å; C661-H678 WeakPolarHBondContact CB-NE2 3.3Å; C661-H678 PolarHBondContact SG-NE2 3.23Å; H674-H678 AromaticContact CE1-NE2 3.89Å; Q675-H678 PolarHBondContact O-N 3.46Å; H678-G680 VanDerWaalsContact C-N 3.28Å; H678-G680 PolarHBondContact O-N 2.79Å
679	T	86.9	Confident	88.8	Confident	82 Å²	82	74.4 Å²	74.4	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-75.6	-14.8	178	64.7	0	0	0	0	113.9	Q675 R676 E681	Q675-T679 PolarHBondContact O-N 3.41Å; Q675-T679 VanDerWaalsContact O-N 3.11Å; R676-T679 WeakPolarHBondContact CA-OG1 3.46Å; T679-E681 PolarHBondContact O-N 2.98Å; T679-E681 WeakPolarHBondContact OG1-CG 3.28Å; T679-E681 PolarHBondContact OG1-N 2.97Å
680	G	85.9	Confident	88.9	Confident	49 Å²	49	73.8 Å²	73.8	51%	0.505	41%	0.405	S	S	.	.			trans	72.6	3.9	-174.4	0	0	0	0	0	114.6	R676 H678 K682	R676-G680 CarbonylContact O-C 3.55Å; R676-G680 WeakPolarHBondContact O-CA 3.43Å; R676-G680 PolarHBondContact O-N 2.92Å; H678-G680 VanDerWaalsContact C-N 3.28Å; H678-G680 PolarHBondContact O-N 2.79Å; G680-K682 PolarHBondContact O-N 3.19Å
681	E	88.2	Confident	89	Confident	115 Å²	115	77.6 Å²	77.6	54%	0.537	42%	0.416	S	S	.	.			trans	-60.9	124.2	-177.2	-79.6	-175.2	172.7	0	0	112.5	R676 T679	R676-E681 HydrophobicContact CB-CB 4.33Å; R676-E681 HydrophobicContact CG-CB 4.08Å; R676-E681 PolarHBondContact O-N 3.11Å; T679-E681 PolarHBondContact O-N 2.98Å; T679-E681 WeakPolarHBondContact OG1-CG 3.28Å; T679-E681 PolarHBondContact OG1-N 2.97Å
682	K	89.8	Confident	88.9	Confident	122 Å²	122	78 Å²	78	53%	0.53	42%	0.422	S	S	.	.			trans	-127	78.7	177.8	-72.2	167.8	170.5	-173.4	0	110.3	G680 Y684 A692 F693	G680-K682 PolarHBondContact O-N 3.19Å; K682-Y684 VanDerWaalsContact C-N 3.29Å; K682-Y684 PolarHBondContact O-N 3.44Å; K682-A692 HydrophobicContact CB-CB 3.64Å; K682-A692 HydrophobicContact CD-CB 4.36Å; K682-A692 WeakPolarHBondContact CD-O 3.41Å; K682-F693 CarbonylContact C-O 3.22Å; K682-F693 VanDerWaalsContact C-O 3.28Å; K682-F693 VanDerWaalsContact CA-O 3.26Å; K682-F693 WeakPolarHBondContact CA-O 3.32Å
683	P	89.9	Confident	89	Confident	71 Å²	71	75 Å²	75	46%	0.461	41%	0.406	S	S	.	.			trans	-66.7	-28.8	-173.6	-21.1	34.2	0	0	0	113.6	K685	P683-K685 PolarHBondContact O-N 3.14Å
684	Y	90.7	Very high	88.9	Confident	74 Å²	74	73.7 Å²	73.7	29%	0.29	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	97	-170.6	-51.3	-73.5	0	0	0	110.2	K682 A692 F693 S696	K682-Y684 VanDerWaalsContact C-N 3.29Å; K682-Y684 PolarHBondContact O-N 3.44Å; Y684-A692 CarbonylContact O-C 3.6Å; Y684-A692 WeakPolarHBondContact O-CA 3.29Å; Y684-F693 WeakPolarHBondContact CD2-O 3.37Å; Y684-F693 PolarHBondContact N-O 3.36Å; Y684-F693 PolarHBondContact O-N 3.47Å; Y684-S696 VanDerWaalsContact CD2-N 3.32Å
685	K	89.8	Confident	88.9	Confident	144 Å²	144	74.2 Å²	74.2	63%	0.626	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.8	177.4	-62.1	-176	-179.8	179.7	0	110.9	P683 A692	P683-K685 PolarHBondContact O-N 3.14Å; K685-A692 HydrophobicContact CG-CB 3.98Å
686	C	92.4	Very high	88.9	Confident	2 Å²	2	73 Å²	73	1%	0.014	40%	0.402	C	S	.	.			trans	-82.2	123	169.2	-155.6	0	0	0	0	109.1	D688 G690 K691 L699 H702 H706	C686-D688 VanDerWaalsContact C-N 3.28Å; C686-D688 PolarHBondContact O-N 2.78Å; C686-D688 PolarHBondContact SG-OD2 3.26Å; C686-G690 VanDerWaalsContact O-CA 3.25Å; C686-G690 WeakPolarHBondContact O-CA 3.44Å; C686-G690 PolarHBondContact O-N 2.94Å; C686-K691 WeakPolarHBondContact CB-O 3.37Å; C686-K691 PolarHBondContact N-O 3.06Å; C686-L699 HydrophobicContact CB-CD1 3.63Å; C686-H702 VanDerWaalsContact SG-CD2 3.56Å; C686-H706 VanDerWaalsContact SG-CD2 3.6Å; C686-H706 PolarHBondContact SG-NE2 3.41Å
687	N	90	Very high	88.7	Confident	153 Å²	153	74.4 Å²	74.4	82%	0.818	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-35	-179.2	-66.1	-16.1	0	0	0	111.6	C689	N687-C689 PolarHBondContact O-N 3.44Å
688	D	87	Confident	88.7	Confident	106 Å²	106	74.8 Å²	74.8	57%	0.567	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.2	-170.4	-30.5	-78.1	0	0	0	113.6	C686 H706	C686-D688 VanDerWaalsContact C-N 3.28Å; C686-D688 PolarHBondContact O-N 2.78Å; C686-D688 PolarHBondContact SG-OD2 3.26Å; D688-H706 IonicContact OD2-CD2 3.82Å; D688-H706 PolarHBondContact OD2-CD2 3.14Å
689	C	89.7	Confident	88.8	Confident	53 Å²	53	71.3 Å²	71.3	36%	0.358	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	5.4	-173.8	76.1	0	0	0	0	115	N687 K691 H702 H706	N687-C689 PolarHBondContact O-N 3.44Å; C689-K691 PolarHBondContact O-N 3.44Å; C689-H702 PolarHBondContact SG-NE2 3.27Å; C689-H706 PolarHBondContact SG-NE2 3.3Å
690	G	86.6	Confident	88.8	Confident	55 Å²	55	71.7 Å²	71.7	57%	0.567	40%	0.397	S	S	*	.			trans	69.5	-8.4	179.4	0	0	0	0	0	116.7	C686 A692	C686-G690 VanDerWaalsContact O-CA 3.25Å; C686-G690 WeakPolarHBondContact O-CA 3.44Å; C686-G690 PolarHBondContact O-N 2.94Å; G690-A692 PolarHBondContact O-N 3.23Å
691	K	89.6	Confident	88.9	Confident	128 Å²	128	71.5 Å²	71.5	56%	0.557	39%	0.386	S	S	*	.			trans	-62.5	134	-177.3	-70.1	178.7	-178.9	175	0	111.5	C686 C689 F693	C686-K691 WeakPolarHBondContact CB-O 3.37Å; C686-K691 PolarHBondContact N-O 3.06Å; C689-K691 PolarHBondContact O-N 3.44Å; K691-F693 HydrophobicContact CB-CE2 3.96Å; K691-F693 HydrophobicContact CB-CZ 4.14Å
692	A	90.3	Very high	89	Confident	29 Å²	29	67.2 Å²	67.2	24%	0.24	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.5	-173.8	0	0	0	0	0	112.4	K682 Y684 K685 G690	K682-A692 HydrophobicContact CB-CB 3.64Å; K682-A692 HydrophobicContact CD-CB 4.36Å; K682-A692 WeakPolarHBondContact CD-O 3.41Å; Y684-A692 CarbonylContact O-C 3.6Å; Y684-A692 WeakPolarHBondContact O-CA 3.29Å; K685-A692 HydrophobicContact CG-CB 3.98Å; G690-A692 PolarHBondContact O-N 3.23Å
693	F	89.1	Confident	88.9	Confident	39 Å²	39	64.9 Å²	64.9	17%	0.171	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.9	-174.7	-56.9	-90.6	0	0	0	111.3	K682 Y684 K691 Q698 L699 H702	K682-F693 CarbonylContact C-O 3.22Å; K682-F693 VanDerWaalsContact C-O 3.28Å; K682-F693 VanDerWaalsContact CA-O 3.26Å; K682-F693 WeakPolarHBondContact CA-O 3.32Å; Y684-F693 WeakPolarHBondContact CD2-O 3.37Å; Y684-F693 PolarHBondContact N-O 3.36Å; Y684-F693 PolarHBondContact O-N 3.47Å; K691-F693 HydrophobicContact CB-CE2 3.96Å; K691-F693 HydrophobicContact CB-CZ 4.14Å; F693-Q698 HydrophobicContact CB-CB 4.11Å; F693-Q698 HydrophobicContact CD1-CB 3.78Å; F693-Q698 HydrophobicContact CG-CB 4.14Å; F693-L699 HydrophobicContact CD2-CB 4.11Å; F693-L699 HydrophobicContact CD2-CD1 4.06Å; F693-L699 HydrophobicContact CE2-CD1 4.18Å; F693-H702 HydrophobicContact CE1-CB 4.27Å; F693-H702 HydrophobicContact CE2-CB 3.94Å; F693-H702 AromaticContact CE2-CD2 3.46Å; F693-H702 VanDerWaalsContact CE2-CD2 3.46Å; F693-H702 WeakPolarHBondContact CE2-CD2 3.17Å; F693-H702 AromaticContact CE2-CG 3.86Å; F693-H702 HydrophobicContact CZ-CB 3.6Å; F693-H702 AromaticContact CZ-CD2 3.46Å; F693-H702 VanDerWaalsContact CZ-CD2 3.46Å; F693-H702 WeakPolarHBondContact CZ-CD2 3.44Å; F693-H702 AromaticContact CZ-CG 3.48Å; F693-H702 VanDerWaalsContact CZ-CG 3.48Å
694	S	87.1	Confident	88.9	Confident	15 Å²	15	63.8 Å²	63.8	11%	0.105	34%	0.343	C	S	.	.	S	Bend	trans	-85.5	-12.6	178.5	52	0	0	0	0	113.7	R676	R676-S694 VanDerWaalsContact CD-O 3.29Å; R676-S694 WeakPolarHBondContact CD-O 3.42Å; R676-S694 PolarHBondContact NH1-O 2.98Å
695	D	88.5	Confident	88.7	Confident	34 Å²	34	65 Å²	65	18%	0.182	36%	0.358	C	S	.	.	S	Bend	trans	-133.3	139.3	178.8	163.2	35.8	0	0	0	110.1	V673 S697 Q698 L699	V673-D695 HydrophobicContact CG1-CB 3.99Å; V673-D695 HydrophobicContact CG2-CB 4.38Å; D695-S697 VanDerWaalsContact C-N 3.3Å; D695-S697 PolarHBondContact O-N 3.11Å; D695-S697 PolarHBondContact OD1-N 3.12Å; D695-S697 PolarHBondContact OD1-OG 3.44Å; D695-S697 WeakPolarHBondContact OD2-CB 3.5Å; D695-S697 PolarHBondContact OD2-OG 2.88Å; D695-Q698 HydrophobicContact CB-CG 4.2Å; D695-Q698 PolarHBondContact O-N 3.07Å; D695-L699 PolarHBondContact O-N 3.43Å
696	S	88.4	Confident	88.6	Confident	47 Å²	47	61.9 Å²	61.9	33%	0.329	35%	0.345	S	S	.	.	H	α-helix	trans	-68.1	-30.1	179.2	50.6	0	0	0	0	112.2	Y684 Q698 L699 I700	Y684-S696 VanDerWaalsContact CD2-N 3.32Å; S696-Q698 VanDerWaalsContact C-N 3.26Å; S696-Q698 PolarHBondContact O-N 3.46Å; S696-L699 PolarHBondContact O-N 3.2Å; S696-L699 VanDerWaalsContact O-N 3.13Å; S696-I700 WeakPolarHBondContact O-CG1 3.14Å; S696-I700 PolarHBondContact O-N 2.98Å
697	S	87.1	Confident	88.3	Confident	69 Å²	69	65.9 Å²	65.9	48%	0.483	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-36.9	177.3	-33.5	0	0	0	0	111.2	D695 V701	D695-S697 VanDerWaalsContact C-N 3.3Å; D695-S697 PolarHBondContact O-N 3.11Å; D695-S697 PolarHBondContact OD1-N 3.12Å; D695-S697 PolarHBondContact OD1-OG 3.44Å; D695-S697 WeakPolarHBondContact OD2-CB 3.5Å; D695-S697 PolarHBondContact OD2-OG 2.88Å; S697-V701 WeakPolarHBondContact O-CB 3.46Å; S697-V701 WeakPolarHBondContact O-CG2 3.41Å; S697-V701 PolarHBondContact O-N 3.33Å
698	Q	88.1	Confident	88	Confident	89 Å²	89	60.9 Å²	60.9	42%	0.416	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-38.5	174.3	-62.5	176.2	25.1	0	0	112.2	F693 D695 S696 V701 H702	F693-Q698 HydrophobicContact CB-CB 4.11Å; F693-Q698 HydrophobicContact CD1-CB 3.78Å; F693-Q698 HydrophobicContact CG-CB 4.14Å; D695-Q698 HydrophobicContact CB-CG 4.2Å; D695-Q698 PolarHBondContact O-N 3.07Å; S696-Q698 VanDerWaalsContact C-N 3.26Å; S696-Q698 PolarHBondContact O-N 3.46Å; Q698-V701 PolarHBondContact O-N 2.9Å; Q698-H702 WeakPolarHBondContact O-CB 3.29Å; Q698-H702 PolarHBondContact O-N 3.24Å
699	L	90.3	Very high	88	Confident	22 Å²	22	60.5 Å²	60.5	12%	0.115	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-47.5	174.4	175.2	59.9	0	0	0	111.2	C686 F693 D695 S696 V701 H702 Q703	C686-L699 HydrophobicContact CB-CD1 3.63Å; F693-L699 HydrophobicContact CD2-CB 4.11Å; F693-L699 HydrophobicContact CD2-CD1 4.06Å; F693-L699 HydrophobicContact CE2-CD1 4.18Å; D695-L699 PolarHBondContact O-N 3.43Å; S696-L699 PolarHBondContact O-N 3.2Å; S696-L699 VanDerWaalsContact O-N 3.13Å; L699-V701 VanDerWaalsContact C-N 3.32Å; L699-V701 PolarHBondContact O-N 3.45Å; L699-H702 CarbonylContact O-C 3.51Å; L699-H702 WeakPolarHBondContact O-CA 3.45Å; L699-H702 WeakPolarHBondContact O-CB 3.44Å; L699-H702 PolarHBondContact O-N 2.87Å; L699-Q703 HydrophobicContact CD1-CG 4.09Å; L699-Q703 HydrophobicContact CG-CG 4.43Å; L699-Q703 WeakPolarHBondContact O-CG 3.42Å; L699-Q703 PolarHBondContact O-N 3.47Å
700	I	87.4	Confident	87.8	Confident	90 Å²	90	64.1 Å²	64.1	46%	0.462	36%	0.359	S	S	.	.	H	α-helix	trans	-60.3	-42.7	178.5	-65.7	164.5	0	0	0	110.9	S696 H702 Q703	S696-I700 WeakPolarHBondContact O-CG1 3.14Å; S696-I700 PolarHBondContact O-N 2.98Å; I700-H702 VanDerWaalsContact C-N 3.29Å; I700-H702 PolarHBondContact O-N 3.45Å; I700-Q703 PolarHBondContact O-N 3.06Å
701	V	87.4	Confident	87.9	Confident	45 Å²	45	65 Å²	65	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-32	174.7	166.4	0	0	0	0	112.1	S697 Q698 L699 Q723	S697-V701 WeakPolarHBondContact O-CB 3.46Å; S697-V701 WeakPolarHBondContact O-CG2 3.41Å; S697-V701 PolarHBondContact O-N 3.33Å; Q698-V701 PolarHBondContact O-N 2.9Å; L699-V701 VanDerWaalsContact C-N 3.32Å; L699-V701 PolarHBondContact O-N 3.45Å; V701-Q723 HydrophobicContact CG1-CG 3.66Å; V701-Q723 VanDerWaalsContact CG1-NE2 3.32Å
702	H	88.9	Confident	87.8	Confident	24 Å²	24	62 Å²	62	11%	0.111	34%	0.34	C	S	.	.	H	α-helix	trans	-73.2	-38.9	175.3	179.5	42.3	0	0	0	113	C686 C689 F693 Q698 L699 I700 R704 V705 H706	C686-H702 VanDerWaalsContact SG-CD2 3.56Å; C689-H702 PolarHBondContact SG-NE2 3.27Å; F693-H702 HydrophobicContact CE1-CB 4.27Å; F693-H702 HydrophobicContact CE2-CB 3.94Å; F693-H702 AromaticContact CE2-CD2 3.46Å; F693-H702 VanDerWaalsContact CE2-CD2 3.46Å; F693-H702 WeakPolarHBondContact CE2-CD2 3.17Å; F693-H702 AromaticContact CE2-CG 3.86Å; F693-H702 HydrophobicContact CZ-CB 3.6Å; F693-H702 AromaticContact CZ-CD2 3.46Å; F693-H702 VanDerWaalsContact CZ-CD2 3.46Å; F693-H702 WeakPolarHBondContact CZ-CD2 3.44Å; F693-H702 AromaticContact CZ-CG 3.48Å; F693-H702 VanDerWaalsContact CZ-CG 3.48Å; Q698-H702 WeakPolarHBondContact O-CB 3.29Å; Q698-H702 PolarHBondContact O-N 3.24Å; L699-H702 CarbonylContact O-C 3.51Å; L699-H702 WeakPolarHBondContact O-CA 3.45Å; L699-H702 WeakPolarHBondContact O-CB 3.44Å; L699-H702 PolarHBondContact O-N 2.87Å; I700-H702 VanDerWaalsContact C-N 3.29Å; I700-H702 PolarHBondContact O-N 3.45Å; H702-R704 PolarHBondContact O-N 3.11Å; H702-V705 WeakPolarHBondContact O-CB 3.24Å; H702-V705 WeakPolarHBondContact O-CG2 3.33Å; H702-V705 PolarHBondContact O-N 2.84Å; H702-H706 AromaticContact CD2-NE2 3.9Å; H702-H706 AromaticContact CE1-CE1 3.67Å; H702-H706 AromaticContact CE1-NE2 3.58Å; H702-H706 AromaticContact NE2-CE1 3.64Å; H702-H706 AromaticContact NE2-NE2 3.21Å; H702-H706 PolarHBondContact NE2-NE2 3.07Å
703	Q	87.8	Confident	87.7	Confident	74 Å²	74	66.9 Å²	66.9	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-59	-31.1	179.9	-74.1	172.6	-66.4	0	0	112.5	L699 I700 V705 H706 T707	L699-Q703 HydrophobicContact CD1-CG 4.09Å; L699-Q703 HydrophobicContact CG-CG 4.43Å; L699-Q703 WeakPolarHBondContact O-CG 3.42Å; L699-Q703 PolarHBondContact O-N 3.47Å; I700-Q703 PolarHBondContact O-N 3.06Å; Q703-V705 PolarHBondContact O-N 3.26Å; Q703-V705 VanDerWaalsContact O-N 3.12Å; Q703-H706 PolarHBondContact O-N 3.02Å; Q703-T707 PolarHBondContact O-N 3.21Å
704	R	89.9	Confident	87.7	Confident	48 Å²	48	65.1 Å²	65.1	18%	0.181	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-16.9	171.4	-63.4	-167.6	-176.6	124.3	14.5	115	H702 H706 G708 E709 S722	H702-R704 PolarHBondContact O-N 3.11Å; R704-H706 VanDerWaalsContact C-N 3.34Å; R704-G708 CarbonylContact O-C 3.53Å; R704-G708 WeakPolarHBondContact O-CA 3.38Å; R704-G708 PolarHBondContact O-N 3.29Å; R704-G708 VanDerWaalsContact O-N 3.08Å; R704-E709 HydrophobicContact CB-CB 4.16Å; R704-E709 HydrophobicContact CG-CB 3.91Å; R704-E709 IonicContact NE-OE2 3.63Å; R704-E709 PolarHBondContact O-N 3.06Å; R704-S722 WeakPolarHBondContact CD-O 3.41Å; R704-S722 PolarHBondContact NH1-O 2.85Å
705	V	87.6	Confident	87.7	Confident	98 Å²	98	70.1 Å²	70.1	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-73.5	-30.2	172.3	-176	0	0	0	0	110.8	H702 Q703	H702-V705 WeakPolarHBondContact O-CB 3.24Å; H702-V705 WeakPolarHBondContact O-CG2 3.33Å; H702-V705 PolarHBondContact O-N 2.84Å; Q703-V705 PolarHBondContact O-N 3.26Å; Q703-V705 VanDerWaalsContact O-N 3.12Å
706	H	87.2	Confident	87.5	Confident	79 Å²	79	73.8 Å²	73.8	37%	0.366	40%	0.401	S	S	.	.	H	α-helix	trans	-88.6	-41.3	178.3	-49.9	-47.8	0	0	0	112	C686 D688 C689 H702 Q703 R704 G708	C686-H706 VanDerWaalsContact SG-CD2 3.6Å; C686-H706 PolarHBondContact SG-NE2 3.41Å; D688-H706 IonicContact OD2-CD2 3.82Å; D688-H706 PolarHBondContact OD2-CD2 3.14Å; C689-H706 PolarHBondContact SG-NE2 3.3Å; H702-H706 AromaticContact CD2-NE2 3.9Å; H702-H706 AromaticContact CE1-CE1 3.67Å; H702-H706 AromaticContact CE1-NE2 3.58Å; H702-H706 AromaticContact NE2-CE1 3.64Å; H702-H706 AromaticContact NE2-NE2 3.21Å; H702-H706 PolarHBondContact NE2-NE2 3.07Å; Q703-H706 PolarHBondContact O-N 3.02Å; R704-H706 VanDerWaalsContact C-N 3.34Å; H706-G708 VanDerWaalsContact C-N 3.28Å; H706-G708 PolarHBondContact O-N 3Å
707	T	85.9	Confident	87.5	Confident	87 Å²	87	74 Å²	74	53%	0.534	40%	0.403	S	S	.	.	H	α-helix	trans	-77.3	-13	176.3	66.4	0	0	0	0	113.4	Q703 E709	Q703-T707 PolarHBondContact O-N 3.21Å; T707-E709 PolarHBondContact O-N 3.47Å; T707-E709 WeakPolarHBondContact OG1-CG 3.13Å; T707-E709 PolarHBondContact OG1-OE1 3.49Å
708	G	84.8	Confident	87.3	Confident	47 Å²	47	73 Å²	73	49%	0.485	40%	0.403	S	S	.	.			trans	72.7	1.2	-176.5	0	0	0	0	0	114.7	R704 H706 K710	R704-G708 CarbonylContact O-C 3.53Å; R704-G708 WeakPolarHBondContact O-CA 3.38Å; R704-G708 PolarHBondContact O-N 3.29Å; R704-G708 VanDerWaalsContact O-N 3.08Å; H706-G708 VanDerWaalsContact C-N 3.28Å; H706-G708 PolarHBondContact O-N 3Å; G708-K710 PolarHBondContact O-N 2.82Å
709	E	85.6	Confident	87.3	Confident	98 Å²	98	74.6 Å²	74.6	46%	0.458	41%	0.409	S	S	.	.			trans	-55.3	127.2	-176.6	-84.6	170.1	-131.8	0	0	113.4	R704 T707 S722	R704-E709 HydrophobicContact CB-CB 4.16Å; R704-E709 HydrophobicContact CG-CB 3.91Å; R704-E709 IonicContact NE-OE2 3.63Å; R704-E709 PolarHBondContact O-N 3.06Å; T707-E709 PolarHBondContact O-N 3.47Å; T707-E709 WeakPolarHBondContact OG1-CG 3.13Å; T707-E709 PolarHBondContact OG1-OE1 3.49Å; E709-S722 WeakPolarHBondContact O-CB 3.48Å
710	K	87.2	Confident	87.1	Confident	129 Å²	129	75.2 Å²	75.2	56%	0.561	42%	0.417	S	S	*	.			trans	-128	73.6	176.1	-70.8	163.4	174.2	-177.6	0	111.1	G708 Y712 A720 F721	G708-K710 PolarHBondContact O-N 2.82Å; K710-Y712 PolarHBondContact O-N 3.34Å; K710-A720 HydrophobicContact CB-CB 3.65Å; K710-A720 HydrophobicContact CD-CB 4.13Å; K710-A720 WeakPolarHBondContact CD-O 3.33Å; K710-A720 HydrophobicContact CG-CB 4.47Å; K710-F721 CarbonylContact C-O 3.17Å; K710-F721 VanDerWaalsContact CA-O 3.26Å; K710-F721 WeakPolarHBondContact CA-O 3.3Å
711	P	87.6	Confident	87.1	Confident	74 Å²	74	73.1 Å²	73.1	48%	0.481	41%	0.405	S	S	.	.			trans	-70	2	-171.2	-19.2	33.9	0	0	0	115.6
712	Y	87.3	Confident	87	Confident	65 Å²	65	72.7 Å²	72.7	26%	0.255	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	89	-175.2	-56.7	-80.1	0	0	0	109.9	K710 A720 F721 R724 F727	K710-Y712 PolarHBondContact O-N 3.34Å; Y712-A720 WeakPolarHBondContact O-CA 3.29Å; Y712-F721 PolarHBondContact N-O 3Å; Y712-F721 PolarHBondContact O-N 2.83Å; Y712-R724 HydrophobicContact CD1-CB 4.08Å; Y712-R724 HydrophobicContact CD1-CG 3.92Å; Y712-R724 HydrophobicContact CE1-CB 3.65Å; Y712-R724 HydrophobicContact CE1-CG 3.66Å; Y712-R724 HydrophobicContact CE2-CB 4.18Å; Y712-F727 HydrophobicContact CG-CB 4.33Å
713	E	88.8	Confident	86.8	Confident	132 Å²	132	75.1 Å²	75.1	62%	0.617	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	135.6	178.5	-169.9	175.5	167.7	0	0	112.2	S715 A720 F727	E713-S715 PolarHBondContact O-N 3.39Å; E713-A720 HydrophobicContact CB-CB 4.25Å; E713-A720 HydrophobicContact CG-CB 4.27Å; E713-F727 WeakPolarHBondContact O-CE2 3.29Å
714	C	89.1	Confident	86.8	Confident	2 Å²	2	79 Å²	79	1%	0.014	43%	0.426	C	S	.	.			trans	-84	108.2	175.9	178.5	0	0	0	0	110.9	E716 C717 G718 K719 F727 H734	C714-E716 PolarHBondContact O-N 3.06Å; C714-C717 PolarHBondContact O-N 3.34Å; C714-G718 WeakPolarHBondContact O-CA 3.28Å; C714-G718 PolarHBondContact O-N 2.93Å; C714-K719 WeakPolarHBondContact CB-O 3.49Å; C714-K719 PolarHBondContact N-O 3.44Å; C714-F727 HydrophobicContact CB-CE2 4.2Å; C714-H734 PolarHBondContact SG-NE2 3.48Å
715	S	85.9	Confident	86.6	Confident	119 Å²	119	80.2 Å²	80.2	83%	0.832	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.1	175.9	51	0	0	0	0	114.8	E713	E713-S715 PolarHBondContact O-N 3.39Å
716	E	84.8	Confident	86.6	Confident	111 Å²	111	78.5 Å²	78.5	52%	0.519	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-19	-176.8	-63.6	164.2	155.8	0	0	112.9	C714 H734	C714-E716 PolarHBondContact O-N 3.06Å; E716-H734 WeakPolarHBondContact OE2-CB 3.17Å; E716-H734 IonicContact OE2-CD2 3.07Å; E716-H734 PolarHBondContact OE2-CD2 3.18Å; E716-H734 IonicContact OE2-CG 3.48Å
717	C	88.5	Confident	86.7	Confident	53 Å²	53	76.1 Å²	76.1	36%	0.358	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.1	16.5	178.8	70.5	0	0	0	0	116.6	C714 K719 H730 H734	C714-C717 PolarHBondContact O-N 3.34Å; C717-K719 PolarHBondContact O-N 3.25Å; C717-K719 VanDerWaalsContact O-N 3.09Å; C717-H730 PolarHBondContact SG-NE2 2.78Å; C717-H734 VanDerWaalsContact SG-CE1 3.55Å; C717-H734 PolarHBondContact SG-NE2 2.88Å
718	G	83.9	Confident	86.7	Confident	48 Å²	48	75.3 Å²	75.3	50%	0.495	41%	0.413	S	S	.	.			trans	66.9	7.4	175.4	0	0	0	0	0	116	C714 A720	C714-G718 WeakPolarHBondContact O-CA 3.28Å; C714-G718 PolarHBondContact O-N 2.93Å; G718-A720 PolarHBondContact O-N 3.4Å
719	K	87.1	Confident	86.8	Confident	122 Å²	122	79.4 Å²	79.4	53%	0.53	42%	0.419	S	S	.	.			trans	-78.9	117.1	-178.6	-70.4	179.1	-173.8	170.4	0	110.5	C714 C717 F721	C714-K719 WeakPolarHBondContact CB-O 3.49Å; C714-K719 PolarHBondContact N-O 3.44Å; C717-K719 PolarHBondContact O-N 3.25Å; C717-K719 VanDerWaalsContact O-N 3.09Å; K719-F721 HydrophobicContact CB-CE2 3.62Å; K719-F721 HydrophobicContact CB-CZ 3.99Å; K719-F721 VanDerWaalsContact O-CD2 3.31Å; K719-F721 WeakPolarHBondContact O-CD2 2.94Å; K719-F721 WeakPolarHBondContact O-CE2 3.38Å
720	A	87.2	Confident	86.9	Confident	35 Å²	35	75.7 Å²	75.7	29%	0.289	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.1	178.5	0	0	0	0	0	112.8	K710 Y712 E713 G718	K710-A720 HydrophobicContact CB-CB 3.65Å; K710-A720 HydrophobicContact CD-CB 4.13Å; K710-A720 WeakPolarHBondContact CD-O 3.33Å; K710-A720 HydrophobicContact CG-CB 4.47Å; Y712-A720 WeakPolarHBondContact O-CA 3.29Å; E713-A720 HydrophobicContact CB-CB 4.25Å; E713-A720 HydrophobicContact CG-CB 4.27Å; G718-A720 PolarHBondContact O-N 3.4Å
721	F	86.8	Confident	86.7	Confident	46 Å²	46	73.3 Å²	73.3	20%	0.202	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.2	-174.5	-60.2	-98.9	0	0	0	111.7	K710 Y712 K719 F727 H730	K710-F721 CarbonylContact C-O 3.17Å; K710-F721 VanDerWaalsContact CA-O 3.26Å; K710-F721 WeakPolarHBondContact CA-O 3.3Å; Y712-F721 PolarHBondContact N-O 3Å; Y712-F721 PolarHBondContact O-N 2.83Å; K719-F721 HydrophobicContact CB-CE2 3.62Å; K719-F721 HydrophobicContact CB-CZ 3.99Å; K719-F721 VanDerWaalsContact O-CD2 3.31Å; K719-F721 WeakPolarHBondContact O-CD2 2.94Å; K719-F721 WeakPolarHBondContact O-CE2 3.38Å; F721-F727 HydrophobicContact CB-CB 4.17Å; F721-F727 HydrophobicContact CD2-CB 4.33Å; F721-F727 HydrophobicContact CD2-CD2 4.15Å; F721-F727 HydrophobicContact CG-CB 4.35Å; F721-H730 HydrophobicContact CE1-CB 4.13Å; F721-H730 HydrophobicContact CE2-CB 4.05Å; F721-H730 AromaticContact CE2-CD2 3.24Å; F721-H730 WeakPolarHBondContact CE2-CD2 3.46Å; F721-H730 AromaticContact CE2-CG 3.79Å; F721-H730 HydrophobicContact CZ-CB 3.59Å; F721-H730 AromaticContact CZ-CD2 3.37Å; F721-H730 WeakPolarHBondContact CZ-CD2 3.44Å; F721-H730 AromaticContact CZ-CG 3.44Å; F721-H730 VanDerWaalsContact CZ-CG 3.44Å
722	S	84.8	Confident	86.6	Confident	36 Å²	36	76 Å²	76	25%	0.252	39%	0.393	S	S	.	.	S	Bend	trans	-83.2	-11.1	178	55.8	0	0	0	0	114.2	R704 E709	R704-S722 WeakPolarHBondContact CD-O 3.41Å; R704-S722 PolarHBondContact NH1-O 2.85Å; E709-S722 WeakPolarHBondContact O-CB 3.48Å
723	Q	86.2	Confident	86.4	Confident	74 Å²	74	77.1 Å²	77.1	35%	0.346	41%	0.407	S	S	.	.			trans	-132.2	142.9	-178.9	-58.9	-176.6	21.1	0	0	111.9	V701 S725 T726 F727	V701-Q723 HydrophobicContact CG1-CG 3.66Å; V701-Q723 VanDerWaalsContact CG1-NE2 3.32Å; Q723-S725 VanDerWaalsContact C-N 3.31Å; Q723-S725 WeakPolarHBondContact CB-OG 3.49Å; Q723-S725 PolarHBondContact O-N 3.33Å; Q723-S725 PolarHBondContact OE1-OG 2.94Å; Q723-S725 VanDerWaalsContact OE1-OG 3.12Å; Q723-T726 PolarHBondContact O-OG1 2.71Å; Q723-F727 WeakPolarHBondContact O-CB 3.22Å; Q723-F727 PolarHBondContact O-N 3.2Å; Q723-F727 VanDerWaalsContact O-N 3.16Å
724	R	86.4	Confident	86.1	Confident	156 Å²	156	74.6 Å²	74.6	59%	0.589	40%	0.395	S	S	*	.	H	α-helix	trans	-70.8	-26.9	177.1	-159.2	171.9	-170.4	166.4	6.5	113.2	Y712 N728	Y712-R724 HydrophobicContact CD1-CB 4.08Å; Y712-R724 HydrophobicContact CD1-CG 3.92Å; Y712-R724 HydrophobicContact CE1-CB 3.65Å; Y712-R724 HydrophobicContact CE1-CG 3.66Å; Y712-R724 HydrophobicContact CE2-CB 4.18Å; R724-N728 VanDerWaalsContact O-CB 3.27Å; R724-N728 WeakPolarHBondContact O-CB 3.5Å; R724-N728 PolarHBondContact O-N 2.9Å; R724-N728 PolarHBondContact O-OD1 2.89Å
725	S	86.2	Confident	85.4	Confident	73 Å²	73	78.2 Å²	78.2	51%	0.51	42%	0.418	S	S	.	.	H	α-helix	trans	-62.6	-50.9	175.8	43.6	0	0	0	0	111.9	Q723 H729	Q723-S725 VanDerWaalsContact C-N 3.31Å; Q723-S725 WeakPolarHBondContact CB-OG 3.49Å; Q723-S725 PolarHBondContact O-N 3.33Å; Q723-S725 PolarHBondContact OE1-OG 2.94Å; Q723-S725 VanDerWaalsContact OE1-OG 3.12Å; S725-H729 WeakPolarHBondContact O-CB 3.36Å; S725-H729 PolarHBondContact O-N 3.27Å
726	T	87.3	Confident	84.3	Confident	62 Å²	62	75.4 Å²	75.4	38%	0.38	41%	0.407	S	S	.	.	H	α-helix	trans	-71	-36.8	178.6	53.4	0	0	0	0	111.8	Q723 H729 H730	Q723-T726 PolarHBondContact O-OG1 2.71Å; T726-H729 PolarHBondContact O-N 2.96Å; T726-H730 WeakPolarHBondContact O-CB 3.37Å; T726-H730 PolarHBondContact O-N 3.22Å
727	F	88.6	Confident	82.9	Confident	29 Å²	29	76.1 Å²	76.1	13%	0.127	41%	0.41	C	S	.	.	H	α-helix	trans	-57.8	-54	169.3	172.4	-95.9	0	0	0	112.6	Y712 E713 C714 F721 Q723 H729 H730 Q731	Y712-F727 HydrophobicContact CG-CB 4.33Å; E713-F727 WeakPolarHBondContact O-CE2 3.29Å; C714-F727 HydrophobicContact CB-CE2 4.2Å; F721-F727 HydrophobicContact CB-CB 4.17Å; F721-F727 HydrophobicContact CD2-CB 4.33Å; F721-F727 HydrophobicContact CD2-CD2 4.15Å; F721-F727 HydrophobicContact CG-CB 4.35Å; Q723-F727 WeakPolarHBondContact O-CB 3.22Å; Q723-F727 PolarHBondContact O-N 3.2Å; Q723-F727 VanDerWaalsContact O-N 3.16Å; F727-H729 VanDerWaalsContact C-N 3.27Å; F727-H729 PolarHBondContact O-N 3.32Å; F727-H730 CarbonylContact O-C 3.48Å; F727-H730 WeakPolarHBondContact O-CB 3.3Å; F727-H730 PolarHBondContact O-N 2.6Å; F727-H730 VanDerWaalsContact O-N 3.1Å; F727-Q731 PolarHBondContact O-N 2.82Å
728	N	87	Confident	80.8	Confident	71 Å²	71	82.7 Å²	82.7	38%	0.38	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-37.2	179.7	-73.1	4.5	0	0	0	111.6	R724 Q731 R732	R724-N728 VanDerWaalsContact O-CB 3.27Å; R724-N728 WeakPolarHBondContact O-CB 3.5Å; R724-N728 PolarHBondContact O-N 2.9Å; R724-N728 PolarHBondContact O-OD1 2.89Å; N728-Q731 PolarHBondContact O-N 3.45Å; N728-R732 PolarHBondContact O-N 3.03Å
729	H	86.3	Confident	79	Confident	132 Å²	132	85.8 Å²	85.8	61%	0.611	45%	0.445	S	S	*	.	H	α-helix	trans	-66.5	-41.2	175	179.1	59.2	0	0	0	111.8	S725 T726 F727 R732	S725-H729 WeakPolarHBondContact O-CB 3.36Å; S725-H729 PolarHBondContact O-N 3.27Å; T726-H729 PolarHBondContact O-N 2.96Å; F727-H729 VanDerWaalsContact C-N 3.27Å; F727-H729 PolarHBondContact O-N 3.32Å; H729-R732 PolarHBondContact O-N 3.13Å
730	H	87.3	Confident	76.8	Confident	20 Å²	20	85.4 Å²	85.4	9%	0.093	46%	0.457	C	S	.	.	H	α-helix	trans	-65.7	-40.3	173.8	172	49.9	0	0	0	112.7	C717 F721 T726 F727 R732 T733 H734	C717-H730 PolarHBondContact SG-NE2 2.78Å; F721-H730 HydrophobicContact CE1-CB 4.13Å; F721-H730 HydrophobicContact CE2-CB 4.05Å; F721-H730 AromaticContact CE2-CD2 3.24Å; F721-H730 WeakPolarHBondContact CE2-CD2 3.46Å; F721-H730 AromaticContact CE2-CG 3.79Å; F721-H730 HydrophobicContact CZ-CB 3.59Å; F721-H730 AromaticContact CZ-CD2 3.37Å; F721-H730 WeakPolarHBondContact CZ-CD2 3.44Å; F721-H730 AromaticContact CZ-CG 3.44Å; F721-H730 VanDerWaalsContact CZ-CG 3.44Å; T726-H730 WeakPolarHBondContact O-CB 3.37Å; T726-H730 PolarHBondContact O-N 3.22Å; F727-H730 CarbonylContact O-C 3.48Å; F727-H730 WeakPolarHBondContact O-CB 3.3Å; F727-H730 PolarHBondContact O-N 2.6Å; F727-H730 VanDerWaalsContact O-N 3.1Å; H730-R732 PolarHBondContact O-N 3.43Å; H730-T733 PolarHBondContact ND1-OG1 3.35Å; H730-T733 WeakPolarHBondContact O-CA 3.37Å; H730-T733 WeakPolarHBondContact O-CB 3.48Å; H730-T733 PolarHBondContact O-N 3.08Å; H730-T733 PolarHBondContact O-OG1 3.34Å; H730-H734 AromaticContact CD2-NE2 3.98Å; H730-H734 AromaticContact CE1-CE1 3.44Å; H730-H734 PolarHBondContact CE1-CE1 3.49Å; H730-H734 VanDerWaalsContact CE1-CE1 3.44Å; H730-H734 AromaticContact CE1-NE2 3.1Å; H730-H734 PolarHBondContact CE1-NE2 3.29Å; H730-H734 AromaticContact ND1-NE2 3.98Å; H730-H734 AromaticContact NE2-CE1 3.82Å; H730-H734 AromaticContact NE2-NE2 3.11Å; H730-H734 PolarHBondContact NE2-NE2 3.46Å; H730-H734 VanDerWaalsContact NE2-NE2 3.11Å
731	Q	83.6	Confident	74.4	Confident	79 Å²	79	87.2 Å²	87.2	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-58.4	-37.1	177	-167.6	176.2	6.1	0	0	111.6	F727 N728 T733 H734 T735	F727-Q731 PolarHBondContact O-N 2.82Å; N728-Q731 PolarHBondContact O-N 3.45Å; Q731-T733 PolarHBondContact O-N 3.37Å; Q731-H734 PolarHBondContact O-N 2.75Å; Q731-H734 VanDerWaalsContact O-N 3.1Å; Q731-T735 PolarHBondContact O-N 2.93Å
732	R	84.8	Confident	71.9	Confident	131 Å²	131	92.8 Å²	92.8	49%	0.494	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-20	172.1	-69.3	176.6	179.1	170.8	-0.2	114.6	N728 H729 H730 H734 T735 G736 E737	N728-R732 PolarHBondContact O-N 3.03Å; H729-R732 PolarHBondContact O-N 3.13Å; H730-R732 PolarHBondContact O-N 3.43Å; R732-H734 VanDerWaalsContact C-N 3.28Å; R732-T735 WeakPolarHBondContact CA-OG1 3.13Å; R732-G736 PolarHBondContact O-N 3.49Å; R732-G736 VanDerWaalsContact O-N 3.14Å; R732-E737 PolarHBondContact O-N 3.23Å
733	T	84.6	Confident	69.3	Low	89 Å²	89	95.4 Å²	95.4	55%	0.546	53%	0.534	S	S	.	.	H	α-helix	trans	-73.7	-20.4	174.2	66.8	0	0	0	0	112.9	H730 Q731	H730-T733 PolarHBondContact ND1-OG1 3.35Å; H730-T733 WeakPolarHBondContact O-CA 3.37Å; H730-T733 WeakPolarHBondContact O-CB 3.48Å; H730-T733 PolarHBondContact O-N 3.08Å; H730-T733 PolarHBondContact O-OG1 3.34Å; Q731-T733 PolarHBondContact O-N 3.37Å
734	H	81.7	Confident	66.7	Low	78 Å²	78	103.8 Å²	103.8	36%	0.361	56%	0.562	S	S	.	*	H	α-helix	trans	-87.9	-39	171.6	-54.3	-55.3	0	0	0	112.1	C714 E716 C717 H730 Q731 R732 G736	C714-H734 PolarHBondContact SG-NE2 3.48Å; E716-H734 WeakPolarHBondContact OE2-CB 3.17Å; E716-H734 IonicContact OE2-CD2 3.07Å; E716-H734 PolarHBondContact OE2-CD2 3.18Å; E716-H734 IonicContact OE2-CG 3.48Å; C717-H734 VanDerWaalsContact SG-CE1 3.55Å; C717-H734 PolarHBondContact SG-NE2 2.88Å; H730-H734 AromaticContact CD2-NE2 3.98Å; H730-H734 AromaticContact CE1-CE1 3.44Å; H730-H734 PolarHBondContact CE1-CE1 3.49Å; H730-H734 VanDerWaalsContact CE1-CE1 3.44Å; H730-H734 AromaticContact CE1-NE2 3.1Å; H730-H734 PolarHBondContact CE1-NE2 3.29Å; H730-H734 AromaticContact ND1-NE2 3.98Å; H730-H734 AromaticContact NE2-CE1 3.82Å; H730-H734 AromaticContact NE2-NE2 3.11Å; H730-H734 PolarHBondContact NE2-NE2 3.46Å; H730-H734 VanDerWaalsContact NE2-NE2 3.11Å; Q731-H734 PolarHBondContact O-N 2.75Å; Q731-H734 VanDerWaalsContact O-N 3.1Å; R732-H734 VanDerWaalsContact C-N 3.28Å; H734-G736 VanDerWaalsContact C-N 3.26Å; H734-G736 PolarHBondContact O-N 2.8Å
735	T	74.6	Confident	64.1	Low	79 Å²	79	101.5 Å²	101.5	49%	0.485	57%	0.571	S	S	.	*	H	α-helix	trans	-76.7	-8.7	179	66.3	0	0	0	0	114.2	Q731 R732 E737	Q731-T735 PolarHBondContact O-N 2.93Å; R732-T735 WeakPolarHBondContact CA-OG1 3.13Å; T735-E737 PolarHBondContact O-N 3.38Å
736	G	63.3	Low	61.9	Low	60 Å²	60	104.8 Å²	104.8	62%	0.619	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.3	4.1	177.8	0	0	0	0	0	115.1	R732 H734 K738	R732-G736 PolarHBondContact O-N 3.49Å; R732-G736 VanDerWaalsContact O-N 3.14Å; H734-G736 VanDerWaalsContact C-N 3.26Å; H734-G736 PolarHBondContact O-N 2.8Å; G736-K738 PolarHBondContact O-N 3.3Å
737	E	55.2	Low	59.6	Low	125 Å²	125	110.6 Å²	110.6	58%	0.584	63%	0.63	S	S	*	*			trans	-69.8	93.4	-178	-70	-171.9	151	0	0	112	R732 T735	R732-E737 PolarHBondContact O-N 3.23Å; T735-E737 PolarHBondContact O-N 3.38Å
738	K	45.1	Very low	58.2	Low	192 Å²	192	114.7 Å²	114.7	84%	0.835	66%	0.656	S	S	*	*			trans	-56.4	138.6	163.7	-78	-177.5	177.3	175.8	0	109.7	G736 S740	G736-K738 PolarHBondContact O-N 3.3Å; K738-S740 PolarHBondContact O-N 2.86Å
739	P	45.8	Very low	56.6	Low	113 Å²	113	117 Å²	117	73%	0.734	67%	0.67	S	S	*	*			trans	-63.3	122.9	177.4	26.6	-33.7	0	0	0	110.2	G741	P739-G741 PolarHBondContact O-N 2.74Å
740	S	40.8	Very low	55	Low	113 Å²	113	116.2 Å²	116.2	79%	0.79	67%	0.673	S	S	*	*			trans	-66.3	93.2	171.2	56.4	0	0	0	0	109.6	K738 L742	K738-S740 PolarHBondContact O-N 2.86Å; S740-L742 PolarHBondContact O-N 3.45Å
741	G	36.9	Very low	53.1	Low	73 Å²	73	121.8 Å²	121.8	75%	0.753	71%	0.708	S	S	*	*			trans	-65	103.9	173.1	0	0	0	0	0	110	P739 A743	P739-G741 PolarHBondContact O-N 2.74Å; G741-A743 PolarHBondContact O-N 3.37Å
742	L	33.3	Very low	51.2	Low	164 Å²	164	124.5 Å²	124.5	86%	0.859	73%	0.729	S	S	*	*			trans	-66	99.2	165.7	-84.3	166.8	0	0	0	108.1	S740 W744	S740-L742 PolarHBondContact O-N 3.45Å; L742-W744 PolarHBondContact O-N 2.88Å
743	A	31.3	Very low	49	Very low	90 Å²	90	124.1 Å²	124.1	74%	0.744	74%	0.744	S	S	*	*			trans	-66.8	111.2	168.7	0	0	0	0	0	108.5	G741 S745	G741-A743 PolarHBondContact O-N 3.37Å; A743-S745 VanDerWaalsContact C-N 3.28Å; A743-S745 PolarHBondContact O-N 3.45Å
744	W	31.7	Very low	46.4	Very low	250 Å²	250	126.6 Å²	126.6	95%	0.947	76%	0.759	S	S	*	*			trans	-71.4	92.1	159.4	-79.4	-22.6	0	0	0	108.2	L742 V746	L742-W744 PolarHBondContact O-N 2.88Å; W744-V746 PolarHBondContact O-N 3.42Å
745	S	31.9	Very low	43.7	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	79%	0.789	S	S	*	*			trans	-62.8	110.9	166.1	49.9	0	0	0	0	109.2	A743	A743-S745 VanDerWaalsContact C-N 3.28Å; A743-S745 PolarHBondContact O-N 3.45Å
746	V	38.3	Very low	41.1	Very low	141 Å²	141	134.6 Å²	134.6	86%	0.855	81%	0.814	S	S	*	*			trans	-74.4	124.3	169.5	177.3	0	0	0	0	108.5	W744	W744-V746 PolarHBondContact O-N 3.42Å
747	S	40.2	Very low	39.1	Very low	185 Å²	185	141.4 Å²	141.4	100%	1.294	83%	0.832	S	S	*	*			trans	-157.3	0	166	-67.9	0	0	0	0	108

Retrieved 747 of 747 residues in 1448.6 ms (Link to these results)

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