A0A3Q0KHQ9_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KHQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 749 aa.

Structure Viewer

Loading PAE data...

(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	36.6	Very low	34.8	Very low	255 Å²	255	193.5 Å²	193.5	100%	1.256	92%	0.916	S	S	*	*				0	131.4	0	-58.2	-172	-172.7	0	0	107.9
2	G	35.6	Very low	34.2	Very low	71 Å²	71	187.8 Å²	187.8	73%	0.732	91%	0.91	S	S	*	*			cis	-173.7	129.9	-2.4	0	0	0	0	0	106.7
3	K	34	Very low	34.1	Very low	207 Å²	207	187.7 Å²	187.7	90%	0.9	91%	0.907	S	S	*	*			trans	30.7	120.8	146.3	-64.2	173.7	176.7	176.7	0	119.2
4	K	40.8	Very low	34.1	Very low	202 Å²	202	184.2 Å²	184.2	88%	0.878	90%	0.903	S	S	*	*				-158.8	109.1	126.6	-104.4	165.9	-173.3	-177.7	0	112.2
5	N	39.3	Very low	34.1	Very low	165 Å²	165	178.9 Å²	178.9	88%	0.882	89%	0.891	S	S	*	*			trans	66.8	97.4	150	-62.1	-3.2	0	0	0	121.1
6	K	33.3	Very low	33.8	Very low	200 Å²	200	176.7 Å²	176.7	87%	0.87	88%	0.884	S	S	*	*			trans	-124.9	115.3	164.1	178.7	-175.1	-174	-177.3	0	106.2
7	I	35.9	Very low	33.6	Very low	175 Å²	175	175.6 Å²	175.6	90%	0.897	88%	0.882	S	S	*	*			trans	-160.8	95.9	150	-81.4	135.4	0	0	0	104.8
8	R	33.9	Very low	33.6	Very low	246 Å²	246	170.5 Å²	170.5	93%	0.928	87%	0.871	S	S	*	*			trans	-148.7	79	168.7	-164.7	-179.6	-170.1	-179.8	3.6	105.2
9	R	30.1	Very low	33.4	Very low	234 Å²	234	174.7 Å²	174.7	88%	0.883	88%	0.875	S	S	*	*			trans	161.8	108.2	173.1	-96.5	164.9	-170.4	163.9	4.1	107
10	E	31	Very low	33.4	Very low	187 Å²	187	173 Å²	173	87%	0.874	87%	0.869	S	S	*	*			trans	169	94.6	148.3	-97.7	169	-159.1	0	0	108.7
11	L	32.8	Very low	33.4	Very low	187 Å²	187	173.8 Å²	173.8	98%	0.979	87%	0.867	S	S	*	*			trans	-178.4	71.4	151.4	-97.3	146.6	0	0	0	104.8
12	C	27.1	Very low	33.3	Very low	124 Å²	124	167 Å²	167	84%	0.838	84%	0.839	S	S	*	*			trans	-138.3	88.9	175	-171.9	0	0	0	0	106.5
13	Q	32.6	Very low	33	Very low	187 Å²	187	170.5 Å²	170.5	87%	0.874	84%	0.841	S	S	*	*			trans	-178.5	95.4	162.6	-102.1	164.7	34.2	0	0	106.5
14	T	34.6	Very low	33	Very low	139 Å²	139	170 Å²	170	85%	0.853	84%	0.839	S	S	*	*			trans	163.7	136.3	134.3	46.4	0	0	0	0	110.4
15	S	33.3	Very low	32.4	Very low	104 Å²	104	171 Å²	171	73%	0.727	84%	0.838	S	S	*	*			trans	73.2	80.5	166.4	68.9	0	0	0	0	119
16	D	30.4	Very low	31.8	Very low	144 Å²	144	170.7 Å²	170.7	77%	0.77	84%	0.836	S	S	*	*				48.1	124.1	107.3	-59.1	-36.5	0	0	0	121.1
17	N	30.1	Very low	31.7	Very low	158 Å²	158	168.6 Å²	168.6	85%	0.845	84%	0.835	S	S	*	*			trans	98.9	130.1	144.7	-61.9	-28.2	0	0	0	120.9
18	A	33.6	Very low	31.8	Very low	84 Å²	84	166.3 Å²	166.3	69%	0.694	83%	0.828	S	S	*	*			trans	78.2	78.1	161.9	0	0	0	0	0	118.9
19	R	29.7	Very low	32.2	Very low	250 Å²	250	163 Å²	163	94%	0.943	82%	0.821	S	S	*	*			trans	-91.4	90.5	144.5	-81.3	-177.6	175.7	152.1	-0.2	108.5	K21	R19-K21 PolarHBondContact O-N 3.46Å; R19-K21 VanDerWaalsContact O-N 3.16Å
20	D	32.5	Very low	33.3	Very low	140 Å²	140	158.8 Å²	158.8	75%	0.749	81%	0.811	S	S	*	*			trans	-78.5	97.4	168	-78.6	-30.3	0	0	0	109.9	V22	D20-V22 VanDerWaalsContact C-N 3.33Å; D20-V22 PolarHBondContact O-N 3.08Å; D20-V22 VanDerWaalsContact O-N 3.12Å
21	K	33.6	Very low	34.7	Very low	190 Å²	190	156.8 Å²	156.8	83%	0.826	81%	0.806	S	S	*	*			trans	-64.4	99.2	151.4	-75	178.2	175.7	179.1	0	106.6	R19 N23	R19-K21 PolarHBondContact O-N 3.46Å; R19-K21 VanDerWaalsContact O-N 3.16Å; K21-N23 PolarHBondContact O-N 3.49Å
22	V	34.6	Very low	36.6	Very low	113 Å²	113	149.4 Å²	149.4	69%	0.685	77%	0.769	S	S	*	*			trans	-64.1	102.5	171.7	-179.8	0	0	0	0	108	D20 F24	D20-V22 VanDerWaalsContact C-N 3.33Å; D20-V22 PolarHBondContact O-N 3.08Å; D20-V22 VanDerWaalsContact O-N 3.12Å; V22-F24 PolarHBondContact O-N 3.43Å
23	N	29.1	Very low	39.3	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	74%	0.738	S	S	*	*			trans	-62	97.1	169.4	-86.5	-30	0	0	0	109.1	K21 R25	K21-N23 PolarHBondContact O-N 3.49Å; N23-R25 PolarHBondContact O-N 3.36Å
24	F	34.6	Very low	42	Very low	195 Å²	195	136.1 Å²	136.1	86%	0.855	70%	0.697	S	S	*	*			trans	-67.6	73	163.7	-98.8	-92.3	0	0	0	109.8	V22	V22-F24 PolarHBondContact O-N 3.43Å
25	R	27.9	Very low	44.7	Very low	224 Å²	224	131.7 Å²	131.7	85%	0.845	67%	0.666	S	S	*	*			trans	-175.7	86.3	167.5	-103	154.7	-172.2	-176.3	3.4	108.5	N23	N23-R25 PolarHBondContact O-N 3.36Å
26	N	27.7	Very low	47.6	Very low	159 Å²	159	126.8 Å²	126.8	85%	0.85	63%	0.632	S	S	*	*			trans	165.6	71.6	148.8	-81.7	-12.9	0	0	0	109.5	V28	N26-V28 PolarHBondContact O-N 3.23Å
27	N	31.6	Very low	50.7	Low	156 Å²	156	119.9 Å²	119.9	83%	0.834	60%	0.595	S	S	*	*			trans	-84	99.4	163.6	-99.3	-5.2	0	0	0	108.1	K29	N27-K29 PolarHBondContact O-N 2.85Å
28	V	38.2	Very low	53.8	Low	126 Å²	126	116.1 Å²	116.1	76%	0.764	57%	0.572	S	S	*	*			trans	-49.5	121.2	146.6	177.2	0	0	0	0	105.2	N26 E30	N26-V28 PolarHBondContact O-N 3.23Å; V28-E30 PolarHBondContact O-N 2.76Å
29	K	42.2	Very low	56.7	Low	178 Å²	178	115.1 Å²	115.1	77%	0.774	56%	0.555	S	S	*	*			trans	-64.2	86	178.6	-72.3	-179.6	178.2	-179.3	0	108.2	N27 N31	N27-K29 PolarHBondContact O-N 2.85Å; K29-N31 PolarHBondContact O-N 3.49Å
30	E	51.7	Low	59.7	Low	145 Å²	145	105.5 Å²	105.5	68%	0.678	52%	0.522	S	S	*	.			trans	-56.5	123.4	162.4	-76.2	-172.8	162.6	0	0	106.6	V28 V32	V28-E30 PolarHBondContact O-N 2.76Å; E30-V32 PolarHBondContact O-N 2.88Å
31	N	61.6	Low	62.4	Low	144 Å²	144	100.3 Å²	100.3	77%	0.77	50%	0.501	S	S	*	.			trans	-68.5	89.2	175.3	-82.9	-21.3	0	0	0	108.2	K29	K29-N31 PolarHBondContact O-N 3.49Å
32	V	72.8	Confident	65.2	Low	33 Å²	33	94.5 Å²	94.5	20%	0.2	48%	0.48	C	S	.	.			trans	-70.7	126.7	176	177.8	0	0	0	0	108.4	E30 V34 F720 V727	E30-V32 PolarHBondContact O-N 2.88Å; V32-V34 HydrophobicContact CG1-CB 4.22Å; V32-V34 PolarHBondContact O-N 3.41Å; V32-V34 VanDerWaalsContact O-N 3.11Å; V32-F720 HydrophobicContact CG1-CD1 3.62Å; V32-F720 HydrophobicContact CG1-CE1 3.58Å; V32-V727 HydrophobicContact CG1-CG1 3.8Å
33	P	83.3	Confident	68	Low	29 Å²	29	89.2 Å²	89.2	19%	0.188	45%	0.447	C	S	.	.	S	Bend	trans	-72.1	-3.9	-177.1	31.9	-39.1	0	0	0	113.4	P108 T621 F720	P33-P108 HydrophobicContact CB-CB 3.96Å; P33-P108 WeakPolarHBondContact O-CB 3.49Å; P33-T621 HydrophobicContact CG-CG2 3.79Å; P33-F720 HydrophobicContact CG-CE1 4.44Å; P33-F720 HydrophobicContact CG-CE2 4.02Å; P33-F720 HydrophobicContact CG-CZ 3.72Å
34	V	88.7	Confident	71.2	Confident	2 Å²	2	82.5 Å²	82.5	1%	0.012	41%	0.412	C	S	.	.	S	Bend	trans	-110.6	125.7	-179.6	-179.1	0	0	0	0	109.1	V32 V614 V616 F720 V727	V32-V34 HydrophobicContact CG1-CB 4.22Å; V32-V34 PolarHBondContact O-N 3.41Å; V32-V34 VanDerWaalsContact O-N 3.11Å; V34-V614 HydrophobicContact CG1-CG2 4.25Å; V34-V614 HydrophobicContact CG2-CG2 4.47Å; V34-V616 HydrophobicContact CG2-CG2 3.63Å; V34-F720 HydrophobicContact CB-CB 4.49Å; V34-F720 HydrophobicContact CB-CG 4.37Å; V34-F720 HydrophobicContact CG2-CB 4.2Å; V34-F720 HydrophobicContact CG2-CD1 4.5Å; V34-F720 HydrophobicContact CG2-CD2 3.7Å; V34-F720 HydrophobicContact CG2-CE2 4.22Å; V34-F720 HydrophobicContact CG2-CG 3.86Å; V34-V727 HydrophobicContact CB-CG1 3.93Å; V34-V727 HydrophobicContact CG1-CG1 3.95Å
35	K	91.6	Very high	74.1	Confident	46 Å²	46	73.4 Å²	73.4	20%	0.2	37%	0.372	C	S	.	.			trans	-90.6	142.2	177.8	-65.2	172.5	-176.6	166.6	0	110.6	Q51 V105 L106 N120 I122	K35-Q51 PolarHBondContact O-NE2 2.72Å; K35-V105 WeakPolarHBondContact CD-O 3.02Å; K35-V105 PolarHBondContact NZ-O 3.13Å; K35-L106 HydrophobicContact CB-CD2 4.4Å; K35-N120 CarbonylContact C-O 3.05Å; K35-N120 WeakPolarHBondContact CA-O 3.32Å; K35-I122 HydrophobicContact CB-CD1 3.89Å; K35-I122 HydrophobicContact CB-CG1 4.34Å; K35-I122 HydrophobicContact CD-CD1 3.61Å; K35-I122 HydrophobicContact CD-CG1 4.04Å; K35-I122 HydrophobicContact CG-CD1 4.41Å
36	G	94.2	Very high	77.3	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	165.1	172.1	0	0	0	0	0	112.5	N120 T121 I122 D724	G36-N120 PolarHBondContact N-O 2.87Å; G36-T121 CarbonylContact O-C 3.57Å; G36-T121 VanDerWaalsContact O-CA 3.32Å; G36-T121 WeakPolarHBondContact O-CA 3.42Å; G36-I122 PolarHBondContact O-N 2.99Å; G36-D724 CarbonylContact C-O 3.52Å; G36-D724 VanDerWaalsContact CA-O 3.22Å; G36-D724 WeakPolarHBondContact CA-O 3.32Å
37	L	96	Very high	80.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129	175.4	-68.1	175.6	0	0	0	110.5	N39 N47 L50 Q51 L106 I122 P124 D724 S725	L37-N39 PolarHBondContact O-N 3.44Å; L37-N47 HydrophobicContact CB-CB 4.04Å; L37-N47 HydrophobicContact CD1-CB 4.13Å; L37-N47 PolarHBondContact O-ND2 3.27Å; L37-L50 HydrophobicContact CD1-CB 3.85Å; L37-L50 HydrophobicContact CD1-CD1 4.15Å; L37-Q51 HydrophobicContact CD1-CG 4.12Å; L37-L106 HydrophobicContact CD2-CD1 4.46Å; L37-L106 HydrophobicContact CD2-CD2 4.06Å; L37-I122 CarbonylContact C-O 3.58Å; L37-I122 VanDerWaalsContact CA-O 3.3Å; L37-I122 WeakPolarHBondContact CA-O 3.43Å; L37-I122 HydrophobicContact CD2-CB 4.1Å; L37-P124 HydrophobicContact CD2-CB 4.5Å; L37-D724 PolarHBondContact N-O 3.28Å; L37-D724 CarbonylContact O-C 3.6Å; L37-D724 WeakPolarHBondContact O-CA 3.42Å; L37-D724 WeakPolarHBondContact O-CB 3.31Å; L37-S725 PolarHBondContact O-N 3.22Å
38	H	95.7	Very high	83.8	Confident	79 Å²	79	48.1 Å²	48.1	37%	0.366	25%	0.254	S	S	.	.			trans	-62.5	135.5	176.3	-74.3	-69.1	0	0	0	111.1	L40 N47 T121 I122	H38-L40 HydrophobicContact CB-CD2 4.39Å; H38-L40 PolarHBondContact O-N 3.3Å; H38-N47 PolarHBondContact O-ND2 3.38Å; H38-T121 HydrophobicContact CB-CG2 4.47Å; H38-T121 VanDerWaalsContact CD2-CG2 3.44Å; H38-T121 WeakPolarHBondContact CD2-CG2 3.43Å; H38-T121 VanDerWaalsContact CE1-CG2 3.46Å; H38-T121 WeakPolarHBondContact CE1-CG2 3.3Å; H38-T121 VanDerWaalsContact NE2-CG2 3.34Å; H38-T121 WeakPolarHBondContact NE2-CG2 3.31Å; H38-I122 PolarHBondContact N-O 3.17Å
39	N	94.5	Very high	86.6	Confident	62 Å²	62	42.1 Å²	42.1	33%	0.332	22%	0.217	S	C	.	.			trans	-76.9	120.1	170	-164.4	-43.3	0	0	0	108.8	L37 G41 N42 T43 D724	L37-N39 PolarHBondContact O-N 3.44Å; N39-G41 VanDerWaalsContact C-N 3.28Å; N39-G41 PolarHBondContact O-N 3.48Å; N39-G41 PolarHBondContact OD1-N 3.44Å; N39-N42 PolarHBondContact OD1-N 3.16Å; N39-N42 VanDerWaalsContact OD1-N 3.11Å; N39-T43 PolarHBondContact OD1-N 2.72Å; N39-T43 VanDerWaalsContact OD1-N 3.12Å; N39-T43 PolarHBondContact OD1-OG1 3.06Å; N39-D724 HydrophobicContact CB-CB 4.16Å; N39-D724 WeakPolarHBondContact CB-OD2 3.4Å; N39-D724 PolarHBondContact ND2-OD2 3.49Å
40	L	92.2	Very high	89.1	Confident	49 Å²	49	33.7 Å²	33.7	26%	0.257	18%	0.181	S	C	.	.			trans	-97.5	28.2	-177.5	-55.5	177.2	0	0	0	111.8	H38 T43 P124 F141	H38-L40 HydrophobicContact CB-CD2 4.39Å; H38-L40 PolarHBondContact O-N 3.3Å; L40-T43 HydrophobicContact CB-CG2 3.91Å; L40-T43 PolarHBondContact N-OG1 2.96Å; L40-P124 HydrophobicContact CD1-CG 4.1Å; L40-F141 WeakPolarHBondContact O-CE1 3.37Å
41	G	89.2	Confident	91.2	Very high	30 Å²	30	27 Å²	27	31%	0.309	15%	0.149	S	C	.	.	S	Bend	trans	92.3	101.3	-176.2	0	0	0	0	0	111.6	N39 T43	N39-G41 VanDerWaalsContact C-N 3.28Å; N39-G41 PolarHBondContact O-N 3.48Å; N39-G41 PolarHBondContact OD1-N 3.44Å; G41-T43 WeakPolarHBondContact O-CG2 3.28Å; G41-T43 PolarHBondContact O-N 2.88Å; G41-T43 VanDerWaalsContact O-N 3.12Å
42	N	91.5	Very high	92.9	Very high	69 Å²	69	20.1 Å²	20.1	37%	0.369	11%	0.113	S	C	.	.	S	Bend	trans	54.4	24.7	-177.5	-72.8	-37.4	0	0	0	114.5	N39 C44 Y45 F141 Q143	N39-N42 PolarHBondContact OD1-N 3.16Å; N39-N42 VanDerWaalsContact OD1-N 3.11Å; N42-C44 PolarHBondContact O-N 2.93Å; N42-Y45 WeakPolarHBondContact O-CD1 3.41Å; N42-Y45 WeakPolarHBondContact O-CE1 3.41Å; N42-F141 WeakPolarHBondContact CB-O 3.37Å; N42-F141 PolarHBondContact ND2-O 3.22Å; N42-Q143 HydrophobicContact CB-CG 4.05Å; N42-Q143 PolarHBondContact OD1-NE2 2.93Å
43	T	94.6	Very high	93.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.103	C	C	.	.			trans	-94.2	17.8	-178.3	68.3	0	0	0	0	113.7	N39 L40 G41 Y45 L46 N47	N39-T43 PolarHBondContact OD1-N 2.72Å; N39-T43 VanDerWaalsContact OD1-N 3.12Å; N39-T43 PolarHBondContact OD1-OG1 3.06Å; L40-T43 HydrophobicContact CB-CG2 3.91Å; L40-T43 PolarHBondContact N-OG1 2.96Å; G41-T43 WeakPolarHBondContact O-CG2 3.28Å; G41-T43 PolarHBondContact O-N 2.88Å; G41-T43 VanDerWaalsContact O-N 3.12Å; T43-Y45 PolarHBondContact O-N 2.96Å; T43-L46 WeakPolarHBondContact O-CB 3.41Å; T43-L46 PolarHBondContact O-N 3.25Å; T43-L46 VanDerWaalsContact O-N 3.11Å; T43-N47 PolarHBondContact O-N 3.39Å
44	C	95.7	Very high	94.3	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.027	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-32.6	179.6	54.2	0	0	0	0	112.1	N42 L46 N47 A48 H609 D724	N42-C44 PolarHBondContact O-N 2.93Å; C44-L46 VanDerWaalsContact C-N 3.3Å; C44-L46 PolarHBondContact O-N 2.83Å; C44-N47 PolarHBondContact O-N 3.4Å; C44-A48 WeakPolarHBondContact O-CB 3.47Å; C44-A48 PolarHBondContact O-N 3.43Å; C44-H609 WeakPolarHBondContact CB-ND1 3.45Å; C44-H609 PolarHBondContact SG-ND1 3.34Å; C44-D724 WeakPolarHBondContact CA-OD1 3.3Å
45	Y	95.4	Very high	94.4	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.02	10%	0.101	C	C	.	.	H	α-helix	trans	-58.5	-41.4	172.8	71	-85.5	0	0	0	112.1	N42 T43 A49 F138 H144 L149	N42-Y45 WeakPolarHBondContact O-CD1 3.41Å; N42-Y45 WeakPolarHBondContact O-CE1 3.41Å; T43-Y45 PolarHBondContact O-N 2.96Å; Y45-A49 WeakPolarHBondContact O-CB 3.12Å; Y45-A49 PolarHBondContact O-N 3.04Å; Y45-F138 AromaticContact CE2-CD1 3.99Å; Y45-F138 HydrophobicContact CE2-CD1 3.99Å; Y45-H144 WeakPolarHBondContact CB-O 3.45Å; Y45-H144 HydrophobicContact CD1-CB 4.24Å; Y45-H144 HydrophobicContact CD2-CB 3.82Å; Y45-H144 HydrophobicContact CE1-CB 4.1Å; Y45-H144 AromaticContact CE1-CD2 3.98Å; Y45-H144 HydrophobicContact CE2-CB 3.64Å; Y45-H144 HydrophobicContact CG-CB 4.13Å; Y45-H144 AromaticContact CZ-CD2 3.67Å; Y45-H144 PolarHBondContact OH-CD2 3.49Å; Y45-L149 HydrophobicContact CD2-CB 4.07Å; Y45-L149 HydrophobicContact CD2-CD1 3.8Å; Y45-L149 HydrophobicContact CD2-CG 4.41Å; Y45-L149 HydrophobicContact CE2-CB 4.24Å; Y45-L149 HydrophobicContact CE2-CD1 3.35Å; Y45-L149 HydrophobicContact CE2-CG 4.35Å
46	L	96	Very high	94.2	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-68.6	-48.2	175.8	169.1	66.3	0	0	0	110.4	T43 C44 A48 A49 L50 F127 R128 L149	T43-L46 WeakPolarHBondContact O-CB 3.41Å; T43-L46 PolarHBondContact O-N 3.25Å; T43-L46 VanDerWaalsContact O-N 3.11Å; C44-L46 VanDerWaalsContact C-N 3.3Å; C44-L46 PolarHBondContact O-N 2.83Å; L46-A48 PolarHBondContact O-N 2.97Å; L46-A49 PolarHBondContact O-N 3.05Å; L46-L50 HydrophobicContact CD1-CD1 3.65Å; L46-L50 HydrophobicContact CD1-CD2 4.39Å; L46-L50 HydrophobicContact CD1-CG 3.82Å; L46-L50 HydrophobicContact CD2-CD1 4.46Å; L46-L50 HydrophobicContact CG-CD1 3.77Å; L46-L50 HydrophobicContact CG-CG 4.31Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 2.91Å; L46-F127 HydrophobicContact CD1-CD1 4.42Å; L46-F127 HydrophobicContact CD1-CE1 3.84Å; L46-R128 HydrophobicContact CD2-CB 4.15Å; L46-R128 HydrophobicContact CD2-CG 4.21Å; L46-L149 HydrophobicContact CB-CD1 4.09Å; L46-L149 HydrophobicContact CD1-CD1 3.7Å; L46-L149 HydrophobicContact CD1-CD2 4Å; L46-L149 HydrophobicContact CD1-CG 4.48Å; L46-L149 HydrophobicContact CG-CD1 4.48Å
47	N	97	Very high	93.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-61.2	-45.9	-177.6	-69.8	-13.7	0	0	0	111.8	L37 H38 T43 C44 A49 L50 Q51 D724	L37-N47 HydrophobicContact CB-CB 4.04Å; L37-N47 HydrophobicContact CD1-CB 4.13Å; L37-N47 PolarHBondContact O-ND2 3.27Å; H38-N47 PolarHBondContact O-ND2 3.38Å; T43-N47 PolarHBondContact O-N 3.39Å; C44-N47 PolarHBondContact O-N 3.4Å; N47-A49 PolarHBondContact O-N 3.29Å; N47-L50 PolarHBondContact O-N 3.47Å; N47-Q51 VanDerWaalsContact O-CG 3.23Å; N47-Q51 WeakPolarHBondContact O-CG 3.45Å; N47-Q51 PolarHBondContact O-N 2.85Å; N47-D724 PolarHBondContact ND2-OD1 3.02Å
48	A	97.5	Very high	92.5	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-43.6	178	0	0	0	0	0	112.1	C44 L46 Q51 C52 I599 A612	C44-A48 WeakPolarHBondContact O-CB 3.47Å; C44-A48 PolarHBondContact O-N 3.43Å; L46-A48 PolarHBondContact O-N 2.97Å; A48-Q51 PolarHBondContact O-N 3.33Å; A48-C52 PolarHBondContact O-N 3.43Å; A48-I599 HydrophobicContact CB-CG1 4.35Å; A48-I599 HydrophobicContact CB-CG2 4.11Å; A48-A612 HydrophobicContact CB-CB 4.15Å
49	A	97	Very high	91.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-46.6	176	0	0	0	0	0	112.5	Y45 L46 N47 Q51 C52 L53 L149 I150 I599	Y45-A49 WeakPolarHBondContact O-CB 3.12Å; Y45-A49 PolarHBondContact O-N 3.04Å; L46-A49 PolarHBondContact O-N 3.05Å; N47-A49 PolarHBondContact O-N 3.29Å; A49-Q51 PolarHBondContact O-N 2.78Å; A49-C52 PolarHBondContact O-N 3.4Å; A49-L53 WeakPolarHBondContact O-CB 3.24Å; A49-L53 WeakPolarHBondContact O-CG 3.03Å; A49-L53 PolarHBondContact O-N 3.45Å; A49-L149 HydrophobicContact CB-CD2 3.52Å; A49-I150 HydrophobicContact CB-CD1 4.13Å; A49-I150 HydrophobicContact CB-CG1 3.7Å; A49-I599 HydrophobicContact CB-CD1 4.38Å
50	L	96	Very high	91.2	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-41	178.2	-71.8	174.4	0	0	0	112.3	L37 L46 N47 L53 A54 F99 L102 P124 F127 L153	L37-L50 HydrophobicContact CD1-CB 3.85Å; L37-L50 HydrophobicContact CD1-CD1 4.15Å; L46-L50 HydrophobicContact CD1-CD1 3.65Å; L46-L50 HydrophobicContact CD1-CD2 4.39Å; L46-L50 HydrophobicContact CD1-CG 3.82Å; L46-L50 HydrophobicContact CD2-CD1 4.46Å; L46-L50 HydrophobicContact CG-CD1 3.77Å; L46-L50 HydrophobicContact CG-CG 4.31Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 2.91Å; N47-L50 PolarHBondContact O-N 3.47Å; L50-L53 PolarHBondContact O-N 3.27Å; L50-A54 WeakPolarHBondContact O-CB 3.47Å; L50-A54 PolarHBondContact O-N 2.92Å; L50-F99 HydrophobicContact CD2-CD2 4.21Å; L50-F99 HydrophobicContact CD2-CE2 3.69Å; L50-L102 HydrophobicContact CD1-CD2 3.85Å; L50-L102 HydrophobicContact CD2-CD2 4.07Å; L50-P124 HydrophobicContact CD1-CB 4.09Å; L50-F127 HydrophobicContact CD1-CD1 4.18Å; L50-F127 HydrophobicContact CD1-CE1 4.27Å; L50-F127 HydrophobicContact CD2-CD1 4.3Å; L50-F127 HydrophobicContact CD2-CE1 3.81Å; L50-F127 HydrophobicContact CD2-CZ 4.01Å; L50-F127 HydrophobicContact CG-CE1 4.5Å; L50-L153 HydrophobicContact CD2-CD2 4.42Å
51	Q	95.4	Very high	90.5	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-48	176.7	-72.9	-71.2	6.8	0	0	111.2	K35 L37 N47 A48 A49 K55 A612 V614 C722	K35-Q51 PolarHBondContact O-NE2 2.72Å; L37-Q51 HydrophobicContact CD1-CG 4.12Å; N47-Q51 VanDerWaalsContact O-CG 3.23Å; N47-Q51 WeakPolarHBondContact O-CG 3.45Å; N47-Q51 PolarHBondContact O-N 2.85Å; A48-Q51 PolarHBondContact O-N 3.33Å; A49-Q51 PolarHBondContact O-N 2.78Å; Q51-K55 WeakPolarHBondContact O-CG 3.25Å; Q51-A612 HydrophobicContact CB-CB 3.84Å; Q51-V614 HydrophobicContact CB-CG1 4.41Å; Q51-C722 HydrophobicContact CG-CB 4.09Å
52	C	95.7	Very high	89.9	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.8	-46.7	178	-67.3	0	0	0	0	112.1	A48 A49 A54 K55 Y596 F744	A48-C52 PolarHBondContact O-N 3.43Å; A49-C52 PolarHBondContact O-N 3.4Å; C52-A54 VanDerWaalsContact C-N 3.34Å; C52-A54 PolarHBondContact O-N 3.28Å; C52-K55 PolarHBondContact O-N 3.49Å; C52-Y596 WeakPolarHBondContact O-CE2 3.48Å; C52-F744 HydrophobicContact CB-CD2 3.58Å; C52-F744 HydrophobicContact CB-CE1 4.4Å; C52-F744 HydrophobicContact CB-CE2 3.37Å; C52-F744 HydrophobicContact CB-CG 4.18Å; C52-F744 HydrophobicContact CB-CZ 3.81Å
53	L	94.2	Very high	89.4	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-39.8	-179.4	-71.7	173.2	0	0	0	112.1	A49 L50 K55 S56 L59 F99 L153 F205 F744	A49-L53 WeakPolarHBondContact O-CB 3.24Å; A49-L53 WeakPolarHBondContact O-CG 3.03Å; A49-L53 PolarHBondContact O-N 3.45Å; L50-L53 PolarHBondContact O-N 3.27Å; L53-K55 PolarHBondContact O-N 2.77Å; L53-S56 WeakPolarHBondContact O-CB 3.21Å; L53-S56 PolarHBondContact O-N 3.44Å; L53-S56 PolarHBondContact O-OG 3.45Å; L53-L59 VanDerWaalsContact O-CD2 3.29Å; L53-L59 WeakPolarHBondContact O-CD2 3.35Å; L53-F99 HydrophobicContact CB-CZ 4.2Å; L53-F99 HydrophobicContact CD1-CZ 4.31Å; L53-L153 HydrophobicContact CD1-CD2 3.72Å; L53-F205 HydrophobicContact CD2-CE1 4.21Å; L53-F205 HydrophobicContact CD2-CZ 3.87Å; L53-F744 HydrophobicContact CD2-CE1 3.99Å
54	A	92	Very high	88.4	Confident	6 Å²	6	16 Å²	16	5%	0.05	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-21.2	179	0	0	0	0	0	113.8	L50 C52 I103 L106	L50-A54 WeakPolarHBondContact O-CB 3.47Å; L50-A54 PolarHBondContact O-N 2.92Å; C52-A54 VanDerWaalsContact C-N 3.34Å; C52-A54 PolarHBondContact O-N 3.28Å; A54-I103 HydrophobicContact CB-CG1 4.11Å; A54-I103 HydrophobicContact CB-CG2 4.33Å; A54-L106 HydrophobicContact CB-CB 3.99Å; A54-L106 HydrophobicContact CB-CD1 3.78Å
55	K	90.3	Very high	87.5	Confident	25 Å²	25	16.1 Å²	16.1	11%	0.109	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.4	175	-56.9	-54.2	178.1	-168.6	0	113.7	Q51 C52 L53 L106 Y596 V614	Q51-K55 WeakPolarHBondContact O-CG 3.25Å; C52-K55 PolarHBondContact O-N 3.49Å; L53-K55 PolarHBondContact O-N 2.77Å; K55-L106 PolarHBondContact NZ-O 2.71Å; K55-Y596 HydrophobicContact CB-CD2 4.03Å; K55-Y596 HydrophobicContact CB-CE2 4.32Å; K55-V614 HydrophobicContact CG-CB 3.93Å; K55-V614 HydrophobicContact CG-CG1 3.96Å; K55-V614 HydrophobicContact CG-CG2 4.45Å
56	S	88	Confident	86.5	Confident	9 Å²	9	20 Å²	20	6%	0.063	11%	0.105	C	C	.	.	S	Bend	trans	-59.1	125.1	174	-57.9	0	0	0	0	110	L53 Y596	L53-S56 WeakPolarHBondContact O-CB 3.21Å; L53-S56 PolarHBondContact O-N 3.44Å; L53-S56 PolarHBondContact O-OG 3.45Å; S56-Y596 PolarHBondContact OG-OH 2.94Å
57	P	76.7	Confident	85.8	Confident	18 Å²	18	26.3 Å²	26.3	12%	0.117	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	149.2	175.9	31.7	-39.3	0	0	0	109.4	L59 I546 E746	P57-L59 PolarHBondContact O-N 2.63Å; P57-I546 HydrophobicContact CG-CD1 4.24Å; P57-I546 HydrophobicContact CG-CG1 4.39Å; P57-E746 HydrophobicContact CG-CB 3.9Å; P57-E746 VanDerWaalsContact CG-OE2 3.31Å; P57-E746 WeakPolarHBondContact CG-OE2 3.34Å
58	W	77.5	Confident	84.9	Confident	68 Å²	68	30 Å²	30	26%	0.258	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	-16.7	176.3	-43.4	105.3	0	0	0	117.4	L60 N61 L62 L204 N633 F635 L639	W58-L60 PolarHBondContact O-N 2.79Å; W58-N61 PolarHBondContact O-N 3.42Å; W58-L62 HydrophobicContact CB-CD1 4.47Å; W58-L62 PolarHBondContact O-N 3.2Å; W58-L204 HydrophobicContact CB-CD2 3.99Å; W58-N633 HydrophobicContact CH2-CB 3.71Å; W58-N633 VanDerWaalsContact CH2-O 3.3Å; W58-N633 WeakPolarHBondContact CH2-O 3.37Å; W58-N633 HydrophobicContact CZ2-CB 3.54Å; W58-N633 WeakPolarHBondContact CZ2-O 3.25Å; W58-F635 WeakPolarHBondContact CZ2-O 3.34Å; W58-F635 PolarHBondContact NE1-O 3.38Å; W58-L639 HydrophobicContact CB-CD1 4.32Å; W58-L639 HydrophobicContact CG-CD1 4.11Å
59	L	83.9	Confident	84.1	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-52.3	-56.8	-175.6	-178.7	59.9	0	0	0	111.5	L53 P57 N61 L62 L63 F99 I103 L204 F205	L53-L59 VanDerWaalsContact O-CD2 3.29Å; L53-L59 WeakPolarHBondContact O-CD2 3.35Å; P57-L59 PolarHBondContact O-N 2.63Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 2.9Å; L59-L62 PolarHBondContact O-N 3.42Å; L59-L62 VanDerWaalsContact O-N 3.13Å; L59-L63 HydrophobicContact CD1-CD1 4.18Å; L59-L63 HydrophobicContact CD1-CD2 4.34Å; L59-L63 HydrophobicContact CD1-CG 4.2Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 3.29Å; L59-L63 VanDerWaalsContact O-N 3.12Å; L59-F99 HydrophobicContact CD2-CE1 3.97Å; L59-F99 HydrophobicContact CD2-CZ 4.18Å; L59-I103 HydrophobicContact CD2-CD1 3.62Å; L59-I103 HydrophobicContact CG-CD1 4.04Å; L59-L204 HydrophobicContact CB-CD1 4.25Å; L59-L204 HydrophobicContact CD1-CD1 3.73Å; L59-F205 HydrophobicContact CD1-CE2 4.45Å
60	L	80.2	Confident	83.5	Confident	23 Å²	23	40.2 Å²	40.2	12%	0.12	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-37.6	178.9	-170.7	67.2	0	0	0	112.9	W58 L62 L63 K100 I103 K107	W58-L60 PolarHBondContact O-N 2.79Å; L60-L62 PolarHBondContact O-N 2.69Å; L60-L63 PolarHBondContact O-N 3.04Å; L60-K100 HydrophobicContact CD1-CB 4.42Å; L60-K100 HydrophobicContact CD1-CG 3.67Å; L60-K100 WeakPolarHBondContact CD1-O 3.26Å; L60-I103 HydrophobicContact CB-CG2 4.03Å; L60-I103 HydrophobicContact CD1-CB 4.15Å; L60-I103 HydrophobicContact CD1-CG2 4.06Å; L60-I103 HydrophobicContact CG-CG2 4.46Å; L60-K107 HydrophobicContact CD2-CD 3.6Å; L60-K107 HydrophobicContact CD2-CG 4.39Å
61	N	76.1	Confident	82.9	Confident	92 Å²	92	40.9 Å²	40.9	49%	0.492	21%	0.211	S	C	.	.	H	α-helix	trans	-70.1	-25	-176.7	-61.8	9.6	0	0	0	111.7	W58 L59 K107	W58-N61 PolarHBondContact O-N 3.42Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 2.9Å; N61-K107 PolarHBondContact OD1-NZ 2.83Å
62	L	77.7	Confident	82.5	Confident	16 Å²	16	42.5 Å²	42.5	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-94	-21.8	179.5	-68.2	-178.1	0	0	0	113.5	W58 L59 L60 V64 I200 L204 L639	W58-L62 HydrophobicContact CB-CD1 4.47Å; W58-L62 PolarHBondContact O-N 3.2Å; L59-L62 PolarHBondContact O-N 3.42Å; L59-L62 VanDerWaalsContact O-N 3.13Å; L60-L62 PolarHBondContact O-N 2.69Å; L62-V64 PolarHBondContact O-N 3.16Å; L62-I200 HydrophobicContact CB-CG1 4.31Å; L62-I200 HydrophobicContact CB-CG2 3.57Å; L62-I200 HydrophobicContact CD1-CG2 4.34Å; L62-I200 WeakPolarHBondContact O-CD1 3.38Å; L62-I200 WeakPolarHBondContact O-CG1 3.43Å; L62-L204 HydrophobicContact CD1-CD1 3.93Å; L62-L204 HydrophobicContact CD1-CD2 3.62Å; L62-L204 HydrophobicContact CD1-CG 3.68Å; L62-L639 HydrophobicContact CD1-CD1 4.32Å
63	L	79.7	Confident	82.1	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	23%	0.225	C	C	.	.			trans	-70.2	64	175.3	-65.8	175.7	0	0	0	111.9	L59 L60 T96 F99 K100 I103 I200	L59-L63 HydrophobicContact CD1-CD1 4.18Å; L59-L63 HydrophobicContact CD1-CD2 4.34Å; L59-L63 HydrophobicContact CD1-CG 4.2Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 3.29Å; L59-L63 VanDerWaalsContact O-N 3.12Å; L60-L63 PolarHBondContact O-N 3.04Å; L63-T96 HydrophobicContact CB-CG2 4.49Å; L63-T96 HydrophobicContact CD2-CG2 3.94Å; L63-F99 HydrophobicContact CD1-CD1 3.8Å; L63-F99 HydrophobicContact CD1-CE1 4.24Å; L63-K100 HydrophobicContact CB-CB 4.44Å; L63-K100 HydrophobicContact CB-CG 4.45Å; L63-K100 WeakPolarHBondContact O-CD 3.47Å; L63-I103 HydrophobicContact CD1-CD1 3.97Å; L63-I200 HydrophobicContact CD2-CG2 4.41Å
64	V	75	Confident	81.8	Confident	46 Å²	46	43.8 Å²	43.8	28%	0.279	23%	0.232	S	C	.	.			trans	-101.6	95	177.4	-175.1	0	0	0	0	109.2	L62 E67 R164	L62-V64 PolarHBondContact O-N 3.16Å; V64-E67 HydrophobicContact CG1-CB 4.46Å; V64-R164 PolarHBondContact O-NH1 2.81Å
65	V	75.4	Confident	81.5	Confident	8 Å²	8	44.8 Å²	44.8	5%	0.048	24%	0.236	C	C	.	.			trans	-108.4	-13.8	177.4	-68.9	0	0	0	0	114.2	E67 C93 T96	V65-E67 VanDerWaalsContact C-N 3.32Å; V65-E67 PolarHBondContact O-N 3.47Å; V65-C93 HydrophobicContact CB-CB 4.23Å; V65-C93 HydrophobicContact CG1-CB 4.13Å; V65-T96 HydrophobicContact CB-CG2 4.32Å; V65-T96 HydrophobicContact CG1-CG2 3.38Å; V65-T96 HydrophobicContact CG2-CG2 3.98Å
66	D	75.4	Confident	81.2	Confident	86 Å²	86	45.2 Å²	45.2	46%	0.46	24%	0.241	S	C	.	.	S	Bend	trans	-86.8	-0.5	-171.3	-47.6	-47.9	0	0	0	113.5	L90 K100	D66-L90 VanDerWaalsContact O-CD2 3.26Å; D66-L90 WeakPolarHBondContact O-CD2 3.29Å; D66-K100 IonicContact OD2-NZ 2.7Å; D66-K100 PolarHBondContact OD2-NZ 2.85Å
67	E	80.4	Confident	80.8	Confident	135 Å²	135	49.9 Å²	49.9	63%	0.631	27%	0.265	S	S	*	.	S	Bend	trans	-136.6	153.1	-177.3	-66.3	177.5	-175.2	0	0	111.8	V64 V65 R69 R164	V64-E67 HydrophobicContact CG1-CB 4.46Å; V65-E67 VanDerWaalsContact C-N 3.32Å; V65-E67 PolarHBondContact O-N 3.47Å; E67-R69 PolarHBondContact O-N 3.28Å; E67-R164 PolarHBondContact O-NH2 2.79Å
68	S	79	Confident	80.7	Confident	79 Å²	79	51.7 Å²	51.7	55%	0.552	29%	0.287	S	S	*	.			trans	-67.6	128.1	167	57.7	0	0	0	0	109.5	L88	S68-L88 WeakPolarHBondContact CA-O 3.44Å
69	R	80.9	Confident	80.3	Confident	48 Å²	48	54.3 Å²	54.3	18%	0.181	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.7	-177.3	-178.3	-175.8	173.9	158.4	10.6	109.9	E67 S71 L88	E67-R69 PolarHBondContact O-N 3.28Å; R69-S71 PolarHBondContact NE-OG 2.62Å; R69-L88 PolarHBondContact N-O 3.4Å; R69-L88 WeakPolarHBondContact O-CB 3.29Å; R69-L88 PolarHBondContact O-N 2.88Å
70	E	83.5	Confident	80	Confident	169 Å²	169	57.7 Å²	57.7	79%	0.79	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.1	165.7	-65.3	-164.7	162.5	0	0	109.9
71	S	85	Confident	80.1	Confident	17 Å²	17	61.4 Å²	61.4	12%	0.119	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.9	-179.7	-68	0	0	0	0	110.4	R69 V86	R69-S71 PolarHBondContact NE-OG 2.62Å; S71-V86 PolarHBondContact N-O 3.03Å; S71-V86 PolarHBondContact O-N 3.46Å; S71-V86 VanDerWaalsContact O-O 3.14Å
72	A	86	Confident	80.5	Confident	37 Å²	37	59.2 Å²	59.2	31%	0.306	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.6	-177.2	0	0	0	0	0	110.7	T83 L84 S642	A72-T83 HydrophobicContact CB-CG2 3.89Å; A72-L84 WeakPolarHBondContact CA-O 3.49Å; A72-S642 WeakPolarHBondContact O-CB 3.39Å
73	L	87.8	Confident	81	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.1	166.6	-65.1	174	0	0	0	109.4	T83 L84 W165 I169 W191 A195 A198	L73-T83 CarbonylContact O-C 3.47Å; L73-T83 VanDerWaalsContact O-CA 3.25Å; L73-T83 WeakPolarHBondContact O-CA 3.36Å; L73-L84 PolarHBondContact N-O 3.1Å; L73-L84 PolarHBondContact O-N 2.85Å; L73-W165 HydrophobicContact CD1-CE3 3.71Å; L73-W165 HydrophobicContact CD1-CH2 4.48Å; L73-W165 HydrophobicContact CD1-CZ3 3.64Å; L73-W165 HydrophobicContact CD2-CD2 4.38Å; L73-W165 HydrophobicContact CD2-CE3 3.95Å; L73-W165 HydrophobicContact CD2-CH2 3.56Å; L73-W165 HydrophobicContact CD2-CZ2 4.04Å; L73-W165 HydrophobicContact CD2-CZ3 3.57Å; L73-W165 HydrophobicContact CG-CE3 3.86Å; L73-W165 HydrophobicContact CG-CH2 3.71Å; L73-W165 HydrophobicContact CG-CZ3 3.3Å; L73-I169 HydrophobicContact CD1-CD1 3.71Å; L73-I169 HydrophobicContact CD1-CG1 4.08Å; L73-W191 HydrophobicContact CB-CE3 3.75Å; L73-W191 HydrophobicContact CB-CZ3 3.6Å; L73-W191 HydrophobicContact CD1-CE3 4.11Å; L73-A195 HydrophobicContact CD1-CB 3.94Å; L73-A195 HydrophobicContact CD2-CB 4.27Å; L73-A198 HydrophobicContact CD2-CB 3.39Å
74	T	86.5	Confident	81.4	Confident	26 Å²	26	63.2 Å²	63.2	16%	0.16	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137	173.3	58.3	0	0	0	0	110.3	C82 T83 K644 W645	T74-C82 WeakPolarHBondContact CA-O 3.5Å; T74-T83 HydrophobicContact CG2-CG2 4.1Å; T74-K644 WeakPolarHBondContact O-CA 3.41Å; T74-K644 VanDerWaalsContact OG1-CA 3.3Å; T74-K644 WeakPolarHBondContact OG1-CA 3.43Å; T74-K644 PolarHBondContact OG1-N 3.45Å; T74-W645 PolarHBondContact O-N 3.44Å
75	K	86.8	Confident	82.1	Confident	28 Å²	28	64.7 Å²	64.7	12%	0.122	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.2	176.5	73.7	-179.5	-174.6	107.8	0	110.9	C82 S190 W191 A194	K75-C82 HydrophobicContact CG-CB 4.23Å; K75-C82 PolarHBondContact N-O 3.14Å; K75-C82 PolarHBondContact O-N 2.84Å; K75-S190 WeakPolarHBondContact CD-OG 3.48Å; K75-S190 PolarHBondContact NZ-OG 3.41Å; K75-W191 HydrophobicContact CB-CZ3 4.29Å; K75-W191 HydrophobicContact CD-CD2 3.89Å; K75-W191 HydrophobicContact CD-CE3 3.95Å; K75-W191 HydrophobicContact CD-CH2 3.94Å; K75-W191 HydrophobicContact CD-CZ2 3.89Å; K75-W191 HydrophobicContact CD-CZ3 3.96Å; K75-W191 VanDerWaalsContact CE-CE2 3.43Å; K75-W191 VanDerWaalsContact CE-CZ2 3.48Å; K75-W191 HydrophobicContact CG-CE3 4.38Å; K75-W191 HydrophobicContact CG-CH2 3.78Å; K75-W191 HydrophobicContact CG-CZ2 4.15Å; K75-W191 HydrophobicContact CG-CZ3 3.91Å; K75-A194 HydrophobicContact CB-CB 4.27Å
76	P	83.3	Confident	82.6	Confident	34 Å²	34	64.4 Å²	64.4	22%	0.221	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.7	170.7	24.1	-30.9	0	0	0	111.5
77	N	81.1	Confident	83.3	Confident	106 Å²	106	63.3 Å²	63.3	57%	0.567	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	82.6	167.5	-173.6	37.7	0	0	0	108.3	D79 S80 C82	N77-D79 PolarHBondContact O-N 3.13Å; N77-S80 CarbonylContact C-O 3.19Å; N77-S80 PolarHBondContact N-O 3.46Å; N77-S80 PolarHBondContact O-N 3.11Å; N77-S80 VanDerWaalsContact O-N 3.14Å; N77-C82 HydrophobicContact CB-CB 4.1Å
78	G	74.2	Confident	83.6	Confident	56 Å²	56	57 Å²	57	58%	0.577	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	-127.2	-164.5	0	0	0	0	0	110.5	S80	G78-S80 VanDerWaalsContact C-N 3.35Å
79	D	67.8	Low	84	Confident	123 Å²	123	54.2 Å²	54.2	66%	0.658	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-13	177	-66	-30.3	0	0	0	113.9	N77	N77-D79 PolarHBondContact O-N 3.13Å
80	S	78	Confident	84.3	Confident	79 Å²	79	56.9 Å²	56.9	55%	0.552	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	159.7	178.4	-67.7	0	0	0	0	112	N77 G78	N77-S80 CarbonylContact C-O 3.19Å; N77-S80 PolarHBondContact N-O 3.46Å; N77-S80 PolarHBondContact O-N 3.11Å; N77-S80 VanDerWaalsContact O-N 3.14Å; G78-S80 VanDerWaalsContact C-N 3.35Å
81	L	81.8	Confident	84.5	Confident	101 Å²	101	52 Å²	52	53%	0.529	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135	167.3	-75.4	107.5	0	0	0	110.2	K644	L81-K644 HydrophobicContact CD2-CB 4.2Å; L81-K644 HydrophobicContact CD2-CD 3.94Å; L81-K644 HydrophobicContact CD2-CG 4.04Å
82	C	85.5	Confident	84.6	Confident	46 Å²	46	60.2 Å²	60.2	31%	0.311	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.8	165.5	-169.8	0	0	0	0	108.9	T74 K75 N77 W191	T74-C82 WeakPolarHBondContact CA-O 3.5Å; K75-C82 HydrophobicContact CG-CB 4.23Å; K75-C82 PolarHBondContact N-O 3.14Å; K75-C82 PolarHBondContact O-N 2.84Å; N77-C82 HydrophobicContact CB-CB 4.1Å; C82-W191 HydrophobicContact CB-CH2 4.28Å; C82-W191 HydrophobicContact CB-CZ2 4.37Å
83	T	87.7	Confident	84.9	Confident	81 Å²	81	58.8 Å²	58.8	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.1	177.9	-55.5	0	0	0	0	109.8	A72 L73 T74	A72-T83 HydrophobicContact CB-CG2 3.89Å; L73-T83 CarbonylContact O-C 3.47Å; L73-T83 VanDerWaalsContact O-CA 3.25Å; L73-T83 WeakPolarHBondContact O-CA 3.36Å; T74-T83 HydrophobicContact CG2-CG2 4.1Å
84	L	87.7	Confident	85.1	Confident	22 Å²	22	61.3 Å²	61.3	12%	0.115	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.1	173.3	-174.7	70.6	0	0	0	109.4	A72 L73 V86 I169 K172 W191	A72-L84 WeakPolarHBondContact CA-O 3.49Å; L73-L84 PolarHBondContact N-O 3.1Å; L73-L84 PolarHBondContact O-N 2.85Å; L84-V86 HydrophobicContact CD2-CG2 3.67Å; L84-V86 HydrophobicContact CG-CG2 3.7Å; L84-I169 HydrophobicContact CD2-CG1 4.39Å; L84-I169 HydrophobicContact CD2-CG2 4.42Å; L84-K172 HydrophobicContact CD1-CG 3.71Å; L84-K172 HydrophobicContact CG-CG 4.23Å; L84-W191 HydrophobicContact CB-CD2 4.03Å; L84-W191 HydrophobicContact CB-CE3 3.83Å; L84-W191 HydrophobicContact CB-CH2 3.38Å; L84-W191 HydrophobicContact CB-CZ2 3.57Å; L84-W191 HydrophobicContact CB-CZ3 3.51Å; L84-W191 HydrophobicContact CD2-CD2 3.71Å; L84-W191 HydrophobicContact CD2-CE3 4.07Å; L84-W191 HydrophobicContact CD2-CG 3.94Å; L84-W191 HydrophobicContact CD2-CZ2 4.47Å; L84-W191 HydrophobicContact CG-CD2 4.48Å; L84-W191 HydrophobicContact CG-CZ2 4.46Å
85	C	89.4	Confident	85.4	Confident	78 Å²	78	60 Å²	60	53%	0.527	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.2	170.5	-61.8	0	0	0	0	109.4	K172	C85-K172 VanDerWaalsContact O-CD 3.31Å; C85-K172 WeakPolarHBondContact O-CD 3.27Å; C85-K172 WeakPolarHBondContact O-CE 3.44Å; C85-K172 WeakPolarHBondContact O-CG 3.48Å
86	V	87.8	Confident	85.7	Confident	2 Å²	2	59 Å²	59	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.9	-176.9	-179.9	0	0	0	0	108.8	S71 L84 L88 W165 G168 I169	S71-V86 PolarHBondContact N-O 3.03Å; S71-V86 PolarHBondContact O-N 3.46Å; S71-V86 VanDerWaalsContact O-O 3.14Å; L84-V86 HydrophobicContact CD2-CG2 3.67Å; L84-V86 HydrophobicContact CG-CG2 3.7Å; V86-L88 HydrophobicContact CG1-CD2 4.2Å; V86-W165 HydrophobicContact CB-CE3 4.4Å; V86-W165 HydrophobicContact CB-CZ3 3.91Å; V86-W165 HydrophobicContact CG1-CE3 4.43Å; V86-W165 HydrophobicContact CG1-CZ3 4.4Å; V86-W165 HydrophobicContact CG2-CZ3 4.13Å; V86-G168 VanDerWaalsContact CG1-CA 3.46Å; V86-G168 WeakPolarHBondContact CG1-O 3.44Å; V86-I169 HydrophobicContact CG2-CG1 4.13Å
87	S	88.8	Confident	86.1	Confident	63 Å²	63	59.9 Å²	59.9	44%	0.441	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.3	165.6	-176.4	0	0	0	0	108.5	P89	S87-P89 VanDerWaalsContact O-CD 3.32Å; S87-P89 WeakPolarHBondContact O-CD 3.43Å
88	L	87.7	Confident	86.6	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.9	179.1	-63.8	178.3	0	0	0	109.3	S68 R69 V86 R164 W165	S68-L88 WeakPolarHBondContact CA-O 3.44Å; R69-L88 PolarHBondContact N-O 3.4Å; R69-L88 WeakPolarHBondContact O-CB 3.29Å; R69-L88 PolarHBondContact O-N 2.88Å; V86-L88 HydrophobicContact CG1-CD2 4.2Å; L88-R164 HydrophobicContact CD2-CB 4.47Å; L88-R164 PolarHBondContact O-NH2 2.85Å; L88-W165 HydrophobicContact CD1-CD2 4.46Å; L88-W165 HydrophobicContact CD1-CZ2 4.16Å; L88-W165 HydrophobicContact CD2-CB 4.36Å; L88-W165 HydrophobicContact CD2-CD2 3.55Å; L88-W165 HydrophobicContact CD2-CE3 3.63Å; L88-W165 HydrophobicContact CD2-CG 3.87Å; L88-W165 HydrophobicContact CD2-CZ2 4.47Å; L88-W165 HydrophobicContact CD2-CZ3 4.11Å
89	P	87.5	Confident	87.6	Confident	21 Å²	21	54.1 Å²	54.1	14%	0.136	31%	0.306	C	S	.	.			trans	-66.9	159	-175.7	28.9	-34.9	0	0	0	111.3	S87 R164 K167 L171	S87-P89 VanDerWaalsContact O-CD 3.32Å; S87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-R164 PolarHBondContact O-NE 2.95Å; P89-R164 PolarHBondContact O-NH2 3.38Å; P89-K167 HydrophobicContact CB-CD 4.48Å; P89-K167 HydrophobicContact CG-CB 3.94Å; P89-K167 HydrophobicContact CG-CD 3.79Å; P89-K167 HydrophobicContact CG-CG 3.85Å; P89-L171 HydrophobicContact CG-CD1 4.42Å
90	L	87.1	Confident	88.7	Confident	105 Å²	105	51 Å²	51	55%	0.55	29%	0.286	S	S	.	.			trans	-65.5	130.7	166.5	-72.4	159.5	0	0	0	109.3	D66	D66-L90 VanDerWaalsContact O-CD2 3.26Å; D66-L90 WeakPolarHBondContact O-CD2 3.29Å
91	M	87	Confident	89.3	Confident	67 Å²	67	52.2 Å²	52.2	33%	0.33	28%	0.283	S	S	.	.			trans	-142.2	152.6	175.9	-69.5	-174.3	61.3	0	0	108.9	C93 R164 K167	M91-C93 PolarHBondContact O-N 3.46Å; M91-C93 VanDerWaalsContact O-N 3.11Å; M91-R164 HydrophobicContact CB-CG 4.02Å; M91-R164 HydrophobicContact CG-CG 4.09Å; M91-R164 HydrophobicContact SD-CB 4.32Å; M91-R164 HydrophobicContact SD-CG 3.86Å; M91-K167 HydrophobicContact CG-CD 4.41Å; M91-K167 HydrophobicContact SD-CB 4.22Å; M91-K167 HydrophobicContact SD-CD 3.91Å
92	K	88.1	Confident	89.7	Confident	189 Å²	189	48.1 Å²	48.1	82%	0.822	26%	0.262	S	S	*	.			trans	-66.8	110.4	172.2	-66.9	-176.7	179.9	178.6	0	108.7	P94	K92-P94 VanDerWaalsContact O-CD 3.3Å; K92-P94 WeakPolarHBondContact O-CD 3.47Å
93	C	90.5	Very high	89.9	Confident	6 Å²	6	46 Å²	46	4%	0.041	25%	0.247	C	C	.	.			trans	-116.7	67.6	175.1	-63.3	0	0	0	0	109.5	V65 M91 L95 T96 T97 E160	V65-C93 HydrophobicContact CB-CB 4.23Å; V65-C93 HydrophobicContact CG1-CB 4.13Å; M91-C93 PolarHBondContact O-N 3.46Å; M91-C93 VanDerWaalsContact O-N 3.11Å; C93-L95 VanDerWaalsContact C-N 3.28Å; C93-L95 PolarHBondContact O-N 3.36Å; C93-T96 PolarHBondContact O-N 3.34Å; C93-T97 PolarHBondContact O-N 2.95Å; C93-T97 PolarHBondContact O-OG1 3.15Å; C93-T97 VanDerWaalsContact O-OG1 3.08Å; C93-E160 HydrophobicContact CB-CB 4.3Å; C93-E160 WeakPolarHBondContact CB-OE2 3.42Å
94	P	92.6	Very high	89.9	Confident	53 Å²	53	44 Å²	44	34%	0.344	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-38.2	-169.6	24.4	-35.6	0	0	0	112.7	K92 Q98 V130 E160	K92-P94 VanDerWaalsContact O-CD 3.3Å; K92-P94 WeakPolarHBondContact O-CD 3.47Å; P94-Q98 WeakPolarHBondContact O-CB 3.46Å; P94-Q98 VanDerWaalsContact O-CG 3.27Å; P94-Q98 WeakPolarHBondContact O-CG 3.44Å; P94-Q98 PolarHBondContact O-N 3.14Å; P94-V130 HydrophobicContact CB-CG1 3.97Å; P94-V130 HydrophobicContact CG-CG1 4.41Å; P94-E160 WeakPolarHBondContact CD-OE1 3.29Å
95	L	93.3	Very high	89.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-46.8	179.4	-178.7	66.9	0	0	0	110.8	C93 T97 Q98 F99 F127 V130 F131 L153 C156 L157 E160	C93-L95 VanDerWaalsContact C-N 3.28Å; C93-L95 PolarHBondContact O-N 3.36Å; L95-T97 VanDerWaalsContact C-N 3.34Å; L95-T97 PolarHBondContact O-N 3.33Å; L95-Q98 PolarHBondContact O-N 3.43Å; L95-F99 VanDerWaalsContact O-CB 3.24Å; L95-F99 WeakPolarHBondContact O-CB 3.5Å; L95-F99 PolarHBondContact O-N 2.87Å; L95-F127 HydrophobicContact CD1-CD2 4.22Å; L95-F127 HydrophobicContact CD1-CE2 3.66Å; L95-F127 HydrophobicContact CD1-CZ 4.22Å; L95-V130 HydrophobicContact CB-CG1 4.07Å; L95-V130 HydrophobicContact CD1-CG1 4.28Å; L95-F131 HydrophobicContact CD1-CB 3.92Å; L95-F131 HydrophobicContact CD1-CD2 4.15Å; L95-F131 HydrophobicContact CD2-CD2 4.34Å; L95-L153 HydrophobicContact CD1-CD1 4.43Å; L95-L153 HydrophobicContact CD2-CD1 4.12Å; L95-L153 HydrophobicContact CG-CD1 4.47Å; L95-C156 HydrophobicContact CD2-CB 3.31Å; L95-L157 HydrophobicContact CD2-CD2 4.36Å; L95-L157 HydrophobicContact CG-CD2 4.26Å; L95-E160 PolarHBondContact N-OE1 2.8Å
96	T	92.4	Very high	89.8	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-41.4	178.9	-55.9	0	0	0	0	111.9	L63 V65 C93 F99 K100 L157 E160	L63-T96 HydrophobicContact CB-CG2 4.49Å; L63-T96 HydrophobicContact CD2-CG2 3.94Å; V65-T96 HydrophobicContact CB-CG2 4.32Å; V65-T96 HydrophobicContact CG1-CG2 3.38Å; V65-T96 HydrophobicContact CG2-CG2 3.98Å; C93-T96 PolarHBondContact O-N 3.34Å; T96-F99 PolarHBondContact O-N 3.22Å; T96-K100 VanDerWaalsContact O-CB 3.28Å; T96-K100 WeakPolarHBondContact O-CB 3.45Å; T96-K100 PolarHBondContact O-N 3.03Å; T96-L157 HydrophobicContact CG2-CD2 4.4Å; T96-L157 WeakPolarHBondContact OG1-CD2 3.13Å; T96-E160 VanDerWaalsContact CB-OE2 3.31Å; T96-E160 WeakPolarHBondContact CB-OE2 3.36Å; T96-E160 PolarHBondContact N-OE2 2.94Å; T96-E160 PolarHBondContact OG1-OE2 2.85Å
97	T	92.5	Very high	89.3	Confident	53 Å²	53	45.1 Å²	45.1	33%	0.325	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-49.2	176.1	-58.9	0	0	0	0	111.3	C93 L95 F99 K100 E101	C93-T97 PolarHBondContact O-N 2.95Å; C93-T97 PolarHBondContact O-OG1 3.15Å; C93-T97 VanDerWaalsContact O-OG1 3.08Å; L95-T97 VanDerWaalsContact C-N 3.34Å; L95-T97 PolarHBondContact O-N 3.33Å; T97-F99 VanDerWaalsContact C-N 3.33Å; T97-F99 PolarHBondContact O-N 2.8Å; T97-K100 WeakPolarHBondContact O-CB 3.45Å; T97-K100 PolarHBondContact O-N 3.35Å; T97-E101 PolarHBondContact O-N 3.44Å
98	Q	92.1	Very high	88.3	Confident	39 Å²	39	43 Å²	43	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-37.3	178.2	-72.9	-61.8	-31.1	0	0	112.6	P94 L95 L102 F127 V130	P94-Q98 WeakPolarHBondContact O-CB 3.46Å; P94-Q98 VanDerWaalsContact O-CG 3.27Å; P94-Q98 WeakPolarHBondContact O-CG 3.44Å; P94-Q98 PolarHBondContact O-N 3.14Å; L95-Q98 PolarHBondContact O-N 3.43Å; Q98-L102 WeakPolarHBondContact O-CB 3.4Å; Q98-L102 PolarHBondContact O-N 3.11Å; Q98-F127 HydrophobicContact CB-CD2 4.48Å; Q98-V130 HydrophobicContact CG-CG2 4.02Å
99	F	93.6	Very high	86.9	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-41.4	176.5	-169.8	-131.6	0	0	0	112	L50 L53 L59 L63 L95 T96 T97 L102 I103 F127 L153 L157	L50-F99 HydrophobicContact CD2-CD2 4.21Å; L50-F99 HydrophobicContact CD2-CE2 3.69Å; L53-F99 HydrophobicContact CB-CZ 4.2Å; L53-F99 HydrophobicContact CD1-CZ 4.31Å; L59-F99 HydrophobicContact CD2-CE1 3.97Å; L59-F99 HydrophobicContact CD2-CZ 4.18Å; L63-F99 HydrophobicContact CD1-CD1 3.8Å; L63-F99 HydrophobicContact CD1-CE1 4.24Å; L95-F99 VanDerWaalsContact O-CB 3.24Å; L95-F99 WeakPolarHBondContact O-CB 3.5Å; L95-F99 PolarHBondContact O-N 2.87Å; T96-F99 PolarHBondContact O-N 3.22Å; T97-F99 VanDerWaalsContact C-N 3.33Å; T97-F99 PolarHBondContact O-N 2.8Å; F99-L102 PolarHBondContact O-N 3.4Å; F99-I103 HydrophobicContact CD1-CD1 3.68Å; F99-I103 HydrophobicContact CD2-CD1 4.03Å; F99-I103 HydrophobicContact CD2-CG1 4.28Å; F99-I103 HydrophobicContact CE1-CD1 3.4Å; F99-I103 HydrophobicContact CE2-CD1 3.74Å; F99-I103 HydrophobicContact CE2-CG1 4.06Å; F99-I103 HydrophobicContact CG-CD1 4Å; F99-I103 HydrophobicContact CZ-CD1 3.44Å; F99-I103 VanDerWaalsContact CZ-CD1 3.44Å; F99-I103 HydrophobicContact CZ-CG1 4.22Å; F99-I103 VanDerWaalsContact O-CG1 3.31Å; F99-I103 WeakPolarHBondContact O-CG1 3.29Å; F99-I103 PolarHBondContact O-N 3.22Å; F99-F127 HydrophobicContact CB-CD2 4.12Å; F99-F127 HydrophobicContact CB-CE2 3.82Å; F99-F127 HydrophobicContact CD2-CD2 4.13Å; F99-F127 AromaticContact CD2-CE2 3.56Å; F99-F127 HydrophobicContact CD2-CE2 3.56Å; F99-F127 HydrophobicContact CD2-CZ 4.1Å; F99-F127 HydrophobicContact CE2-CE2 4.46Å; F99-F127 HydrophobicContact CG-CE2 4.01Å; F99-L153 HydrophobicContact CE2-CD2 4.02Å; F99-L153 HydrophobicContact CZ-CD2 4.1Å; F99-L157 HydrophobicContact CB-CD2 4.47Å; F99-L157 HydrophobicContact CD1-CD1 3.65Å; F99-L157 HydrophobicContact CD1-CD2 4.09Å; F99-L157 HydrophobicContact CE1-CD1 3.62Å
100	K	91.7	Very high	85.1	Confident	57 Å²	57	50.2 Å²	50.2	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-47.8	174.5	-177.7	-170.1	180	175.2	0	111.1	L60 L63 D66 T96 T97 I103 S104	L60-K100 HydrophobicContact CD1-CB 4.42Å; L60-K100 HydrophobicContact CD1-CG 3.67Å; L60-K100 WeakPolarHBondContact CD1-O 3.26Å; L63-K100 HydrophobicContact CB-CB 4.44Å; L63-K100 HydrophobicContact CB-CG 4.45Å; L63-K100 WeakPolarHBondContact O-CD 3.47Å; D66-K100 IonicContact OD2-NZ 2.7Å; D66-K100 PolarHBondContact OD2-NZ 2.85Å; T96-K100 VanDerWaalsContact O-CB 3.28Å; T96-K100 WeakPolarHBondContact O-CB 3.45Å; T96-K100 PolarHBondContact O-N 3.03Å; T97-K100 WeakPolarHBondContact O-CB 3.45Å; T97-K100 PolarHBondContact O-N 3.35Å; K100-I103 PolarHBondContact O-N 2.81Å; K100-S104 WeakPolarHBondContact O-CB 3.18Å; K100-S104 PolarHBondContact O-N 2.88Å
101	E	90.4	Very high	83	Confident	106 Å²	106	52.7 Å²	52.7	50%	0.495	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-49.5	176.8	-174.2	175.4	-179.3	0	0	111	T97 I103 S104 V105	T97-E101 PolarHBondContact O-N 3.44Å; E101-I103 PolarHBondContact O-N 3.49Å; E101-S104 WeakPolarHBondContact O-CB 3.13Å; E101-S104 PolarHBondContact O-N 2.59Å; E101-V105 WeakPolarHBondContact O-CG2 3.22Å; E101-V105 PolarHBondContact O-N 3.28Å; E101-V105 VanDerWaalsContact O-N 3.13Å
102	L	91.2	Very high	80.6	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-45.8	179.1	-177.8	62.8	0	0	0	112.7	L50 Q98 F99 S104 V105 L106 I122 P124 F127	L50-L102 HydrophobicContact CD1-CD2 3.85Å; L50-L102 HydrophobicContact CD2-CD2 4.07Å; Q98-L102 WeakPolarHBondContact O-CB 3.4Å; Q98-L102 PolarHBondContact O-N 3.11Å; F99-L102 PolarHBondContact O-N 3.4Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.88Å; L102-V105 PolarHBondContact O-N 3.16Å; L102-L106 HydrophobicContact CD1-CD1 4.3Å; L102-L106 HydrophobicContact CG-CD1 4.08Å; L102-L106 WeakPolarHBondContact O-CG 3.18Å; L102-L106 PolarHBondContact O-N 2.77Å; L102-L106 VanDerWaalsContact O-N 3.14Å; L102-I122 HydrophobicContact CD1-CG2 4.17Å; L102-P124 HydrophobicContact CD2-CB 4.39Å; L102-F127 HydrophobicContact CD2-CB 3.92Å; L102-F127 HydrophobicContact CD2-CD1 4.22Å; L102-F127 HydrophobicContact CD2-CD2 4.38Å; L102-F127 HydrophobicContact CD2-CG 3.89Å
103	I	89.7	Confident	78.1	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-38.8	177.6	-67.9	166.6	0	0	0	110.9	A54 L59 L60 L63 F99 K100 E101 V105 L106 K107	A54-I103 HydrophobicContact CB-CG1 4.11Å; A54-I103 HydrophobicContact CB-CG2 4.33Å; L59-I103 HydrophobicContact CD2-CD1 3.62Å; L59-I103 HydrophobicContact CG-CD1 4.04Å; L60-I103 HydrophobicContact CB-CG2 4.03Å; L60-I103 HydrophobicContact CD1-CB 4.15Å; L60-I103 HydrophobicContact CD1-CG2 4.06Å; L60-I103 HydrophobicContact CG-CG2 4.46Å; L63-I103 HydrophobicContact CD1-CD1 3.97Å; F99-I103 HydrophobicContact CD1-CD1 3.68Å; F99-I103 HydrophobicContact CD2-CD1 4.03Å; F99-I103 HydrophobicContact CD2-CG1 4.28Å; F99-I103 HydrophobicContact CE1-CD1 3.4Å; F99-I103 HydrophobicContact CE2-CD1 3.74Å; F99-I103 HydrophobicContact CE2-CG1 4.06Å; F99-I103 HydrophobicContact CG-CD1 4Å; F99-I103 HydrophobicContact CZ-CD1 3.44Å; F99-I103 VanDerWaalsContact CZ-CD1 3.44Å; F99-I103 HydrophobicContact CZ-CG1 4.22Å; F99-I103 VanDerWaalsContact O-CG1 3.31Å; F99-I103 WeakPolarHBondContact O-CG1 3.29Å; F99-I103 PolarHBondContact O-N 3.22Å; K100-I103 PolarHBondContact O-N 2.81Å; E101-I103 PolarHBondContact O-N 3.49Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 3.07Å; I103-L106 CarbonylContact O-C 3.56Å; I103-L106 PolarHBondContact O-N 2.86Å; I103-L106 VanDerWaalsContact O-N 3.14Å; I103-K107 PolarHBondContact O-N 3.01Å
104	S	87.2	Confident	75.7	Confident	38 Å²	38	55.8 Å²	55.8	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-46	177	-157.1	0	0	0	0	110.9	K100 E101 L102 L106 K107 E110	K100-S104 WeakPolarHBondContact O-CB 3.18Å; K100-S104 PolarHBondContact O-N 2.88Å; E101-S104 WeakPolarHBondContact O-CB 3.13Å; E101-S104 PolarHBondContact O-N 2.59Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.88Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 2.81Å; S104-K107 PolarHBondContact O-N 2.83Å; S104-E110 PolarHBondContact OG-OE2 2.83Å
105	V	86.9	Confident	73.1	Confident	58 Å²	58	63.6 Å²	63.6	35%	0.352	35%	0.346	S	S	.	.	H	α-helix	trans	-69.2	-26.8	179.7	-172.3	0	0	0	0	112.4	K35 E101 L102 I103 I122	K35-V105 WeakPolarHBondContact CD-O 3.02Å; K35-V105 PolarHBondContact NZ-O 3.13Å; E101-V105 WeakPolarHBondContact O-CG2 3.22Å; E101-V105 PolarHBondContact O-N 3.28Å; E101-V105 VanDerWaalsContact O-N 3.13Å; L102-V105 PolarHBondContact O-N 3.16Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 3.07Å; V105-I122 HydrophobicContact CB-CD1 4.14Å; V105-I122 HydrophobicContact CG1-CD1 3.5Å; V105-I122 HydrophobicContact CG1-CG1 3.98Å
106	L	86.9	Confident	70.5	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-84.5	-10.5	177.5	-73.3	171.9	0	0	0	114.4	K35 L37 A54 K55 L102 I103 S104 I122	K35-L106 HydrophobicContact CB-CD2 4.4Å; L37-L106 HydrophobicContact CD2-CD1 4.46Å; L37-L106 HydrophobicContact CD2-CD2 4.06Å; A54-L106 HydrophobicContact CB-CB 3.99Å; A54-L106 HydrophobicContact CB-CD1 3.78Å; K55-L106 PolarHBondContact NZ-O 2.71Å; L102-L106 HydrophobicContact CD1-CD1 4.3Å; L102-L106 HydrophobicContact CG-CD1 4.08Å; L102-L106 WeakPolarHBondContact O-CG 3.18Å; L102-L106 PolarHBondContact O-N 2.77Å; L102-L106 VanDerWaalsContact O-N 3.14Å; I103-L106 CarbonylContact O-C 3.56Å; I103-L106 PolarHBondContact O-N 2.86Å; I103-L106 VanDerWaalsContact O-N 3.14Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 2.81Å; L106-I122 HydrophobicContact CD2-CD1 3.63Å; L106-I122 HydrophobicContact CG-CD1 4.06Å
107	K	78.2	Confident	68.3	Low	65 Å²	65	75.4 Å²	75.4	28%	0.283	41%	0.412	S	S	.	.	S	Bend	trans	-67.6	135.1	176.5	-86.7	-167.1	174.3	-177.4	0	110.7	L60 N61 I103 S104	L60-K107 HydrophobicContact CD2-CD 3.6Å; L60-K107 HydrophobicContact CD2-CG 4.39Å; N61-K107 PolarHBondContact OD1-NZ 2.83Å; I103-K107 PolarHBondContact O-N 3.01Å; S104-K107 PolarHBondContact O-N 2.83Å
108	P	67.2	Low	66.5	Low	20 Å²	20	78.6 Å²	78.6	13%	0.13	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	137.7	174.8	29.5	-31.1	0	0	0	110	P33 V616 Y620	P33-P108 HydrophobicContact CB-CB 3.96Å; P33-P108 WeakPolarHBondContact O-CB 3.49Å; P108-V616 HydrophobicContact CB-CG1 3.97Å; P108-V616 HydrophobicContact CG-CG1 3.81Å; P108-Y620 HydrophobicContact CB-CD1 4.21Å; P108-Y620 HydrophobicContact CB-CG 4.12Å; P108-Y620 HydrophobicContact CG-CD1 4.16Å; P108-Y620 HydrophobicContact CG-CD2 4.28Å; P108-Y620 HydrophobicContact CG-CG 4.01Å; P108-Y620 VanDerWaalsContact O-CD1 3.24Å; P108-Y620 WeakPolarHBondContact O-CD1 3.45Å; P108-Y620 WeakPolarHBondContact O-CE1 3.29Å
109	G	58.9	Low	65.6	Low	61 Å²	61	79.7 Å²	79.7	63%	0.629	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	-10.7	170.6	0	0	0	0	0	117.2	L111	G109-L111 VanDerWaalsContact C-N 3.27Å; G109-L111 PolarHBondContact O-N 2.83Å
110	E	50.6	Low	65.1	Low	111 Å²	111	83.1 Å²	83.1	52%	0.519	47%	0.467	S	S	.	.			trans	-82.4	77.2	167.8	-79.9	179.7	-172.3	0	0	110	S104 S112	S104-E110 PolarHBondContact OG-OE2 2.83Å; E110-S112 PolarHBondContact O-N 3.49Å
111	L	41.7	Very low	65	Low	157 Å²	157	81.7 Å²	81.7	82%	0.822	46%	0.463	S	S	*	.			trans	-71.2	77.4	154.1	-159.5	76.2	0	0	0	106.2	G109 N113	G109-L111 VanDerWaalsContact C-N 3.27Å; G109-L111 PolarHBondContact O-N 2.83Å; L111-N113 PolarHBondContact O-N 2.98Å; L111-N113 VanDerWaalsContact O-N 3.13Å
112	S	37.8	Very low	65.1	Low	66 Å²	66	78 Å²	78	46%	0.462	45%	0.446	S	S	.	.			trans	-53.2	123.4	172	56.7	0	0	0	0	107.5	E110 T114	E110-S112 PolarHBondContact O-N 3.49Å; S112-T114 PolarHBondContact O-N 3.08Å; S112-T114 PolarHBondContact OG-OG1 2.9Å
113	N	35.9	Very low	65.2	Low	167 Å²	167	80.5 Å²	80.5	89%	0.893	47%	0.465	S	S	*	.	S	Bend	trans	-61	19.6	-179.2	-82.8	-28.4	0	0	0	114.9	L111	L111-N113 PolarHBondContact O-N 2.98Å; L111-N113 VanDerWaalsContact O-N 3.13Å
114	T	38.4	Very low	65.3	Low	94 Å²	94	80.5 Å²	80.5	58%	0.577	47%	0.465	S	S	*	.	S	Bend	trans	-94.6	118.9	170.9	46.3	0	0	0	0	108.6	S112 M116	S112-T114 PolarHBondContact O-N 3.08Å; S112-T114 PolarHBondContact OG-OG1 2.9Å; T114-M116 PolarHBondContact O-N 2.98Å
115	K	39.6	Very low	65.6	Low	217 Å²	217	79.5 Å²	79.5	94%	0.943	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	34.5	-175.4	-67.2	173	172	173.8	0	115.3
116	M	37.7	Very low	65.8	Low	173 Å²	173	82.8 Å²	82.8	85%	0.852	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	0.9	-166.8	-93.3	175.7	68.5	0	0	117.3	T114	T114-M116 PolarHBondContact O-N 2.98Å
117	S	46.2	Very low	66.2	Low	80 Å²	80	82.9 Å²	82.9	56%	0.559	47%	0.474	S	S	*	.			trans	-116.6	68	179.9	-63.2	0	0	0	0	113.3	S119	S117-S119 VanDerWaalsContact C-N 3.25Å
118	S	55.3	Low	66.9	Low	120 Å²	120	81.1 Å²	81.1	84%	0.839	47%	0.465	S	S	*	.			trans	-82.3	0.2	171.2	56.7	0	0	0	0	113.8
119	S	72.9	Confident	68.1	Low	62 Å²	62	84.5 Å²	84.5	43%	0.434	48%	0.482	S	S	.	.			trans	-89.5	120.4	178.8	-174.4	0	0	0	0	111	S117 T121	S117-S119 VanDerWaalsContact C-N 3.25Å; S119-T121 PolarHBondContact O-N 3.37Å; S119-T121 PolarHBondContact OG-N 2.91Å; S119-T121 PolarHBondContact OG-O 2.95Å
120	N	83.3	Confident	69.8	Low	75 Å²	75	82.7 Å²	82.7	40%	0.401	46%	0.459	S	S	.	.	S	Bend	trans	-73.3	5.7	169.2	-73.3	-5.7	0	0	0	112.6	K35 G36	K35-N120 CarbonylContact C-O 3.05Å; K35-N120 WeakPolarHBondContact CA-O 3.32Å; G36-N120 PolarHBondContact N-O 2.87Å
121	T	88.9	Confident	71.9	Confident	26 Å²	26	77.5 Å²	77.5	16%	0.16	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.4	-179.1	-47.2	0	0	0	0	110.9	G36 H38 S119	G36-T121 CarbonylContact O-C 3.57Å; G36-T121 VanDerWaalsContact O-CA 3.32Å; G36-T121 WeakPolarHBondContact O-CA 3.42Å; H38-T121 HydrophobicContact CB-CG2 4.47Å; H38-T121 VanDerWaalsContact CD2-CG2 3.44Å; H38-T121 WeakPolarHBondContact CD2-CG2 3.43Å; H38-T121 VanDerWaalsContact CE1-CG2 3.46Å; H38-T121 WeakPolarHBondContact CE1-CG2 3.3Å; H38-T121 VanDerWaalsContact NE2-CG2 3.34Å; H38-T121 WeakPolarHBondContact NE2-CG2 3.31Å; S119-T121 PolarHBondContact O-N 3.37Å; S119-T121 PolarHBondContact OG-N 2.91Å; S119-T121 PolarHBondContact OG-O 2.95Å
122	I	91.9	Very high	74.4	Confident	30 Å²	30	71.4 Å²	71.4	15%	0.154	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.2	178.6	-57.5	156.4	0	0	0	108.9	K35 G36 L37 H38 L102 V105 L106	K35-I122 HydrophobicContact CB-CD1 3.89Å; K35-I122 HydrophobicContact CB-CG1 4.34Å; K35-I122 HydrophobicContact CD-CD1 3.61Å; K35-I122 HydrophobicContact CD-CG1 4.04Å; K35-I122 HydrophobicContact CG-CD1 4.41Å; G36-I122 PolarHBondContact O-N 2.99Å; L37-I122 CarbonylContact C-O 3.58Å; L37-I122 VanDerWaalsContact CA-O 3.3Å; L37-I122 WeakPolarHBondContact CA-O 3.43Å; L37-I122 HydrophobicContact CD2-CB 4.1Å; H38-I122 PolarHBondContact N-O 3.17Å; L102-I122 HydrophobicContact CD1-CG2 4.17Å; V105-I122 HydrophobicContact CB-CD1 4.14Å; V105-I122 HydrophobicContact CG1-CD1 3.5Å; V105-I122 HydrophobicContact CG1-CG1 3.98Å; L106-I122 HydrophobicContact CD2-CD1 3.63Å; L106-I122 HydrophobicContact CG-CD1 4.06Å
123	S	93.2	Very high	77	Confident	66 Å²	66	73.5 Å²	73.5	46%	0.462	41%	0.405	S	S	.	.			trans	-92.6	119	170.3	-179.2	0	0	0	0	110.1	G125	S123-G125 PolarHBondContact O-N 3.2Å; S123-G125 VanDerWaalsContact O-N 3.11Å
124	P	92.7	Very high	79.6	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.013	37%	0.37	C	S	.	.			trans	-80.1	22.1	177.3	33.9	-35.2	0	0	0	113	L37 L40 L50 L102 M126 F127 R128	L37-P124 HydrophobicContact CD2-CB 4.5Å; L40-P124 HydrophobicContact CD1-CG 4.1Å; L50-P124 HydrophobicContact CD1-CB 4.09Å; L102-P124 HydrophobicContact CD2-CB 4.39Å; P124-M126 PolarHBondContact O-N 3.38Å; P124-F127 PolarHBondContact O-N 3.47Å; P124-R128 WeakPolarHBondContact O-CB 3.4Å; P124-R128 PolarHBondContact O-N 3.09Å
125	G	92.4	Very high	82.1	Confident	17 Å²	17	63.2 Å²	63.2	18%	0.175	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-44	-170.9	0	0	0	0	0	114.2	S123 R128 N129	S123-G125 PolarHBondContact O-N 3.2Å; S123-G125 VanDerWaalsContact O-N 3.11Å; G125-R128 PolarHBondContact O-N 3.01Å; G125-N129 VanDerWaalsContact O-CG 3.23Å; G125-N129 PolarHBondContact O-N 3.32Å; G125-N129 PolarHBondContact O-OD1 3.09Å
126	M	92.2	Very high	84.6	Confident	126 Å²	126	56 Å²	56	62%	0.621	32%	0.319	S	S	*	.	H	α-helix	trans	-63	-47	178.7	-64.6	-174.5	73.1	0	0	111.6	P124 R128 N129 V130	P124-M126 PolarHBondContact O-N 3.38Å; M126-R128 PolarHBondContact O-N 3.41Å; M126-N129 PolarHBondContact O-N 2.87Å; M126-V130 PolarHBondContact O-N 3.18Å
127	F	94.3	Very high	87.1	Confident	5 Å²	5	53 Å²	53	2%	0.022	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-46.5	174.4	171.2	-92.5	0	0	0	111.7	L46 L50 L95 Q98 F99 L102 P124 N129 V130 F131 L153	L46-F127 HydrophobicContact CD1-CD1 4.42Å; L46-F127 HydrophobicContact CD1-CE1 3.84Å; L50-F127 HydrophobicContact CD1-CD1 4.18Å; L50-F127 HydrophobicContact CD1-CE1 4.27Å; L50-F127 HydrophobicContact CD2-CD1 4.3Å; L50-F127 HydrophobicContact CD2-CE1 3.81Å; L50-F127 HydrophobicContact CD2-CZ 4.01Å; L50-F127 HydrophobicContact CG-CE1 4.5Å; L95-F127 HydrophobicContact CD1-CD2 4.22Å; L95-F127 HydrophobicContact CD1-CE2 3.66Å; L95-F127 HydrophobicContact CD1-CZ 4.22Å; Q98-F127 HydrophobicContact CB-CD2 4.48Å; F99-F127 HydrophobicContact CB-CD2 4.12Å; F99-F127 HydrophobicContact CB-CE2 3.82Å; F99-F127 HydrophobicContact CD2-CD2 4.13Å; F99-F127 AromaticContact CD2-CE2 3.56Å; F99-F127 HydrophobicContact CD2-CE2 3.56Å; F99-F127 HydrophobicContact CD2-CZ 4.1Å; F99-F127 HydrophobicContact CE2-CE2 4.46Å; F99-F127 HydrophobicContact CG-CE2 4.01Å; L102-F127 HydrophobicContact CD2-CB 3.92Å; L102-F127 HydrophobicContact CD2-CD1 4.22Å; L102-F127 HydrophobicContact CD2-CD2 4.38Å; L102-F127 HydrophobicContact CD2-CG 3.89Å; P124-F127 PolarHBondContact O-N 3.47Å; F127-N129 VanDerWaalsContact C-N 3.31Å; F127-N129 PolarHBondContact O-N 3.43Å; F127-V130 PolarHBondContact O-N 3.37Å; F127-F131 HydrophobicContact CE1-CB 4.18Å; F127-F131 HydrophobicContact CE1-CG 4.47Å; F127-F131 HydrophobicContact CZ-CB 4.29Å; F127-F131 HydrophobicContact CZ-CG 4.49Å; F127-F131 WeakPolarHBondContact O-CB 3.22Å; F127-F131 PolarHBondContact O-N 3.09Å; F127-L153 HydrophobicContact CE2-CD1 4.06Å; F127-L153 HydrophobicContact CZ-CD1 3.66Å; F127-L153 HydrophobicContact CZ-CD2 3.99Å; F127-L153 HydrophobicContact CZ-CG 4.48Å
128	R	93	Very high	89.3	Confident	29 Å²	29	49.2 Å²	49.2	11%	0.109	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-42.4	-179.9	178.4	176.4	176.8	-88.7	4	111.6	L46 P124 G125 M126 F131 I132 G140	L46-R128 HydrophobicContact CD2-CB 4.15Å; L46-R128 HydrophobicContact CD2-CG 4.21Å; P124-R128 WeakPolarHBondContact O-CB 3.4Å; P124-R128 PolarHBondContact O-N 3.09Å; G125-R128 PolarHBondContact O-N 3.01Å; M126-R128 PolarHBondContact O-N 3.41Å; R128-F131 PolarHBondContact O-N 3.16Å; R128-I132 HydrophobicContact CG-CD1 3.58Å; R128-I132 HydrophobicContact CG-CG1 4.27Å; R128-I132 VanDerWaalsContact CZ-CD1 3.42Å; R128-I132 WeakPolarHBondContact O-CB 3.37Å; R128-I132 VanDerWaalsContact O-CG1 3.26Å; R128-I132 WeakPolarHBondContact O-CG1 3.22Å; R128-I132 PolarHBondContact O-N 2.74Å; R128-G140 PolarHBondContact NH2-O 2.95Å
129	N	93.7	Very high	90.8	Very high	91 Å²	91	46.4 Å²	46.4	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-50.3	-180	-68.5	-10.7	0	0	0	111.2	G125 M126 F127 F131 I132 E133	G125-N129 VanDerWaalsContact O-CG 3.23Å; G125-N129 PolarHBondContact O-N 3.32Å; G125-N129 PolarHBondContact O-OD1 3.09Å; M126-N129 PolarHBondContact O-N 2.87Å; F127-N129 VanDerWaalsContact C-N 3.31Å; F127-N129 PolarHBondContact O-N 3.43Å; N129-F131 VanDerWaalsContact C-N 3.31Å; N129-F131 PolarHBondContact O-N 2.88Å; N129-I132 PolarHBondContact O-N 2.7Å; N129-E133 WeakPolarHBondContact O-CG 3.4Å; N129-E133 PolarHBondContact O-N 3.3Å
130	V	94.3	Very high	91.5	Very high	22 Å²	22	45.2 Å²	45.2	13%	0.133	25%	0.25	C	C	.	.	H	α-helix	trans	-64.1	-36.3	177.9	178.2	0	0	0	0	111.8	P94 L95 Q98 M126 F127 R134	P94-V130 HydrophobicContact CB-CG1 3.97Å; P94-V130 HydrophobicContact CG-CG1 4.41Å; L95-V130 HydrophobicContact CB-CG1 4.07Å; L95-V130 HydrophobicContact CD1-CG1 4.28Å; Q98-V130 HydrophobicContact CG-CG2 4.02Å; M126-V130 PolarHBondContact O-N 3.18Å; F127-V130 PolarHBondContact O-N 3.37Å; V130-R134 PolarHBondContact O-N 3.44Å
131	F	94.2	Very high	91.6	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-41.4	175.9	-180	-111.8	0	0	0	112.5	L95 F127 R128 N129 R134 C135 F138 L149 A152 L153	L95-F131 HydrophobicContact CD1-CB 3.92Å; L95-F131 HydrophobicContact CD1-CD2 4.15Å; L95-F131 HydrophobicContact CD2-CD2 4.34Å; F127-F131 HydrophobicContact CE1-CB 4.18Å; F127-F131 HydrophobicContact CE1-CG 4.47Å; F127-F131 HydrophobicContact CZ-CB 4.29Å; F127-F131 HydrophobicContact CZ-CG 4.49Å; F127-F131 WeakPolarHBondContact O-CB 3.22Å; F127-F131 PolarHBondContact O-N 3.09Å; R128-F131 PolarHBondContact O-N 3.16Å; N129-F131 VanDerWaalsContact C-N 3.31Å; N129-F131 PolarHBondContact O-N 2.88Å; F131-R134 PolarHBondContact O-N 2.89Å; F131-C135 HydrophobicContact CE1-CB 4.44Å; F131-C135 HydrophobicContact CE2-CB 4.29Å; F131-C135 HydrophobicContact CZ-CB 4.1Å; F131-C135 PolarHBondContact O-N 2.96Å; F131-F138 HydrophobicContact CE1-CB 4.16Å; F131-F138 AromaticContact CE1-CD2 3.5Å; F131-F138 HydrophobicContact CE1-CD2 3.5Å; F131-F138 HydrophobicContact CE1-CE2 4.04Å; F131-F138 AromaticContact CE1-CG 3.91Å; F131-F138 HydrophobicContact CE1-CG 3.91Å; F131-F138 AromaticContact CZ-CD2 3.75Å; F131-F138 HydrophobicContact CZ-CD2 3.75Å; F131-F138 AromaticContact CZ-CE2 3.84Å; F131-F138 HydrophobicContact CZ-CE2 3.84Å; F131-L149 HydrophobicContact CD1-CD1 4.39Å; F131-L149 HydrophobicContact CE1-CD1 3.63Å; F131-L149 HydrophobicContact CE1-CG 4.2Å; F131-L149 HydrophobicContact CZ-CD1 4.22Å; F131-L149 HydrophobicContact CZ-CG 4.3Å; F131-A152 HydrophobicContact CZ-CB 4.14Å; F131-L153 HydrophobicContact CD2-CD1 4.16Å; F131-L153 HydrophobicContact CE2-CB 4.05Å; F131-L153 HydrophobicContact CE2-CD1 4.26Å; F131-L153 HydrophobicContact CZ-CB 4.49Å
132	I	93.4	Very high	91.5	Very high	29 Å²	29	56.7 Å²	56.7	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-35.2	178.8	-72.3	170.6	0	0	0	111.6	R128 N129 R134 C135 P136	R128-I132 HydrophobicContact CG-CD1 3.58Å; R128-I132 HydrophobicContact CG-CG1 4.27Å; R128-I132 VanDerWaalsContact CZ-CD1 3.42Å; R128-I132 WeakPolarHBondContact O-CB 3.37Å; R128-I132 VanDerWaalsContact O-CG1 3.26Å; R128-I132 WeakPolarHBondContact O-CG1 3.22Å; R128-I132 PolarHBondContact O-N 2.74Å; N129-I132 PolarHBondContact O-N 2.7Å; I132-R134 PolarHBondContact O-N 2.71Å; I132-C135 CarbonylContact O-C 3.54Å; I132-C135 PolarHBondContact O-N 3.39Å; I132-P136 WeakPolarHBondContact O-CA 3.33Å; I132-P136 VanDerWaalsContact O-N 3.15Å
133	E	92.5	Very high	91.3	Very high	109 Å²	109	57.4 Å²	57.4	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-33.6	172.6	-74.3	170.3	-172.7	0	0	112.3	N129	N129-E133 WeakPolarHBondContact O-CG 3.4Å; N129-E133 PolarHBondContact O-N 3.3Å
134	R	90.6	Very high	91.2	Very high	43 Å²	43	55.4 Å²	55.4	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-86	-37.7	175.2	-65.1	-58.4	-172.3	79.9	12.9	112.9	V130 F131 I132 P136 E160 V407	V130-R134 PolarHBondContact O-N 3.44Å; F131-R134 PolarHBondContact O-N 2.89Å; I132-R134 PolarHBondContact O-N 2.71Å; R134-P136 WeakPolarHBondContact O-CD 3.39Å; R134-E160 IonicContact CZ-OE1 3.07Å; R134-E160 IonicContact NH1-OE1 3.27Å; R134-E160 PolarHBondContact NH1-OE1 2.8Å; R134-E160 IonicContact NH2-OE1 3.73Å; R134-E160 PolarHBondContact NH2-OE1 3.01Å; R134-V407 HydrophobicContact CB-CG1 3.98Å; R134-V407 WeakPolarHBondContact O-CB 3.43Å; R134-V407 WeakPolarHBondContact O-CG1 3.26Å; R134-V407 VanDerWaalsContact O-CG2 3.27Å; R134-V407 WeakPolarHBondContact O-CG2 3.37Å
135	C	92	Very high	91.2	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.02	28%	0.282	C	S	.	.			trans	-122	79.3	179.6	-70.9	0	0	0	0	111.3	F131 I132 R137 F138 C156	F131-C135 HydrophobicContact CE1-CB 4.44Å; F131-C135 HydrophobicContact CE2-CB 4.29Å; F131-C135 HydrophobicContact CZ-CB 4.1Å; F131-C135 PolarHBondContact O-N 2.96Å; I132-C135 CarbonylContact O-C 3.54Å; I132-C135 PolarHBondContact O-N 3.39Å; C135-R137 PolarHBondContact O-N 2.74Å; C135-F138 HydrophobicContact CB-CD2 3.63Å; C135-F138 HydrophobicContact CB-CE2 4.03Å; C135-F138 PolarHBondContact O-N 3.42Å; C135-C156 PolarHBondContact SG-SG 2.79Å
136	P	92	Very high	91.3	Very high	65 Å²	65	56 Å²	56	42%	0.422	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-58.5	-20.4	-176.3	-27.1	35	0	0	0	114.8	I132 R134 F138 S139	I132-P136 WeakPolarHBondContact O-CA 3.33Å; I132-P136 VanDerWaalsContact O-N 3.15Å; R134-P136 WeakPolarHBondContact O-CD 3.39Å; P136-F138 PolarHBondContact O-N 2.93Å; P136-S139 WeakPolarHBondContact O-CB 3.15Å; P136-S139 PolarHBondContact O-N 2.98Å; P136-S139 PolarHBondContact O-OG 3.41Å
137	R	90.8	Very high	91.5	Very high	109 Å²	109	50.7 Å²	50.7	41%	0.411	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-58.2	-31	175	179.2	178.1	61	-164.9	-2.7	113.1	C135 S139 H144 E148	C135-R137 PolarHBondContact O-N 2.74Å; R137-S139 PolarHBondContact O-N 2.72Å; R137-H144 PolarHBondContact O-CE1 2.9Å; R137-E148 VanDerWaalsContact CZ-CD 3.45Å; R137-E148 IonicContact CZ-OE1 2.87Å; R137-E148 IonicContact NE-OE1 3.8Å; R137-E148 PolarHBondContact NE-OE1 2.94Å; R137-E148 VanDerWaalsContact NE-OE1 3.14Å; R137-E148 IonicContact NH1-OE1 3.92Å; R137-E148 PolarHBondContact NH1-OE1 2.96Å; R137-E148 IonicContact NH2-OE1 3.96Å; R137-E148 PolarHBondContact NH2-OE1 3.47Å
138	F	90.9	Very high	91.5	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-88.3	12.2	177.1	-58.4	-77.3	0	0	0	112.9	Y45 F131 C135 P136 H144 E148 L149 A152	Y45-F138 AromaticContact CE2-CD1 3.99Å; Y45-F138 HydrophobicContact CE2-CD1 3.99Å; F131-F138 HydrophobicContact CE1-CB 4.16Å; F131-F138 AromaticContact CE1-CD2 3.5Å; F131-F138 HydrophobicContact CE1-CD2 3.5Å; F131-F138 HydrophobicContact CE1-CE2 4.04Å; F131-F138 AromaticContact CE1-CG 3.91Å; F131-F138 HydrophobicContact CE1-CG 3.91Å; F131-F138 AromaticContact CZ-CD2 3.75Å; F131-F138 HydrophobicContact CZ-CD2 3.75Å; F131-F138 AromaticContact CZ-CE2 3.84Å; F131-F138 HydrophobicContact CZ-CE2 3.84Å; C135-F138 HydrophobicContact CB-CD2 3.63Å; C135-F138 HydrophobicContact CB-CE2 4.03Å; C135-F138 PolarHBondContact O-N 3.42Å; P136-F138 PolarHBondContact O-N 2.93Å; F138-H144 HydrophobicContact CD1-CB 3.95Å; F138-H144 AromaticContact CD1-CG 3.7Å; F138-H144 AromaticContact CD1-ND1 3.85Å; F138-H144 HydrophobicContact CE1-CB 4.11Å; F138-E148 HydrophobicContact CE1-CG 4.46Å; F138-E148 HydrophobicContact CZ-CG 4.05Å; F138-L149 HydrophobicContact CD1-CD1 4.38Å; F138-L149 HydrophobicContact CE1-CB 3.9Å; F138-L149 HydrophobicContact CZ-CB 4.1Å; F138-A152 HydrophobicContact CE2-CB 3.57Å; F138-A152 HydrophobicContact CZ-CB 3.97Å
139	S	88.1	Confident	91.6	Very high	61 Å²	61	52 Å²	52	43%	0.427	26%	0.255	S	S	.	.			trans	-71.7	157.8	172.7	68.5	0	0	0	0	111.8	P136 R137	P136-S139 WeakPolarHBondContact O-CB 3.15Å; P136-S139 PolarHBondContact O-N 2.98Å; P136-S139 PolarHBondContact O-OG 3.41Å; R137-S139 PolarHBondContact O-N 2.72Å
140	G	87.3	Confident	91.7	Very high	38 Å²	38	47.9 Å²	47.9	39%	0.392	23%	0.232	S	C	.	.	S	Bend	trans	81.7	-161	-178.4	0	0	0	0	0	113.5	R128	R128-G140 PolarHBondContact NH2-O 2.95Å
141	F	85.2	Confident	91.8	Very high	139 Å²	139	51.7 Å²	51.7	61%	0.61	24%	0.244	S	C	*	.	S	Bend	trans	-120.3	22.4	-172.6	-56.6	-77.6	0	0	0	112.1	L40 N42	L40-F141 WeakPolarHBondContact O-CE1 3.37Å; N42-F141 WeakPolarHBondContact CB-O 3.37Å; N42-F141 PolarHBondContact ND2-O 3.22Å
142	R	87.5	Confident	91.9	Very high	202 Å²	202	51.6 Å²	51.6	76%	0.762	24%	0.244	S	C	*	.			trans	-76.9	152.5	174.6	-71.9	-170.8	-107.9	-173.6	-4.5	109.7	H144	R142-H144 PolarHBondContact O-CD2 3Å
143	Q	86.6	Confident	92	Very high	46 Å²	46	50.2 Å²	50.2	22%	0.215	24%	0.237	C	C	.	.			trans	-73.4	143.2	170	-62.7	-165.6	-6.3	0	0	109.4	N42 S607 G608	N42-Q143 HydrophobicContact CB-CG 4.05Å; N42-Q143 PolarHBondContact OD1-NE2 2.93Å; Q143-S607 VanDerWaalsContact OE1-CA 3.31Å; Q143-G608 PolarHBondContact NE2-O 3.32Å; Q143-G608 PolarHBondContact OE1-O 3.4Å
144	H	91.7	Very high	92.1	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.111	22%	0.215	C	C	.	.			trans	-130.6	162.7	-179.6	-69.6	-80.6	0	0	0	110.1	Y45 R137 F138 R142 Y610	Y45-H144 WeakPolarHBondContact CB-O 3.45Å; Y45-H144 HydrophobicContact CD1-CB 4.24Å; Y45-H144 HydrophobicContact CD2-CB 3.82Å; Y45-H144 HydrophobicContact CE1-CB 4.1Å; Y45-H144 AromaticContact CE1-CD2 3.98Å; Y45-H144 HydrophobicContact CE2-CB 3.64Å; Y45-H144 HydrophobicContact CG-CB 4.13Å; Y45-H144 AromaticContact CZ-CD2 3.67Å; Y45-H144 PolarHBondContact OH-CD2 3.49Å; R137-H144 PolarHBondContact O-CE1 2.9Å; F138-H144 HydrophobicContact CD1-CB 3.95Å; F138-H144 AromaticContact CD1-CG 3.7Å; F138-H144 AromaticContact CD1-ND1 3.85Å; F138-H144 HydrophobicContact CE1-CB 4.11Å; R142-H144 PolarHBondContact O-CD2 3Å; H144-Y610 WeakPolarHBondContact O-CE2 3.43Å
145	D	93.2	Very high	92.2	Very high	30 Å²	30	45.7 Å²	45.7	16%	0.16	22%	0.22	C	C	.	.			trans	-74.8	125.1	173.5	-169.8	-27.8	0	0	0	110.5	H147 E148 L149 L605 Y741	D145-H147 VanDerWaalsContact C-N 3.28Å; D145-H147 PolarHBondContact O-N 3.42Å; D145-H147 WeakPolarHBondContact OD1-CB 3.36Å; D145-H147 PolarHBondContact OD1-N 3.08Å; D145-E148 HydrophobicContact CB-CB 3.88Å; D145-E148 PolarHBondContact O-N 2.98Å; D145-L149 PolarHBondContact O-N 3.12Å; D145-L605 HydrophobicContact CB-CD1 4.29Å; D145-Y741 WeakPolarHBondContact OD1-CE1 3.46Å; D145-Y741 PolarHBondContact OD1-OH 3.11Å; D145-Y741 PolarHBondContact OD2-OH 3.18Å
146	S	94.6	Very high	92.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-33.1	176.6	67.3	0	0	0	0	113	L149 I150 Y610 Y741	S146-L149 PolarHBondContact O-N 3.3Å; S146-I150 WeakPolarHBondContact O-CD1 3.37Å; S146-I150 VanDerWaalsContact O-CG1 3.24Å; S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 3.08Å; S146-Y610 WeakPolarHBondContact OG-CE1 3.36Å; S146-Y741 WeakPolarHBondContact OG-CD1 3.33Å; S146-Y741 VanDerWaalsContact OG-CE1 3.3Å; S146-Y741 WeakPolarHBondContact OG-CE1 3.36Å
147	H	95.1	Very high	92.4	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.069	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-42.1	177	178.7	-114.4	0	0	0	111.2	D145 L149 I150 R151 D230 S232 H550 Y741 V742	D145-H147 VanDerWaalsContact C-N 3.28Å; D145-H147 PolarHBondContact O-N 3.42Å; D145-H147 WeakPolarHBondContact OD1-CB 3.36Å; D145-H147 PolarHBondContact OD1-N 3.08Å; H147-L149 VanDerWaalsContact C-N 3.29Å; H147-L149 PolarHBondContact O-N 3.41Å; H147-I150 PolarHBondContact O-N 3.29Å; H147-I150 VanDerWaalsContact O-N 3.17Å; H147-R151 WeakPolarHBondContact O-CG 3.38Å; H147-R151 PolarHBondContact O-N 3.45Å; H147-D230 IonicContact CD2-OD2 3.53Å; H147-D230 IonicContact CE1-OD2 3.51Å; H147-D230 PolarHBondContact CE1-OD2 3.5Å; H147-D230 IonicContact NE2-OD2 3.74Å; H147-D230 PolarHBondContact NE2-OD2 3.19Å; H147-S232 PolarHBondContact CE1-OG 2.97Å; H147-H550 VanDerWaalsContact CD2-CB 3.47Å; H147-H550 WeakPolarHBondContact CD2-CB 3.39Å; H147-H550 AromaticContact CD2-CG 3.64Å; H147-H550 AromaticContact CE1-CE1 4Å; H147-H550 AromaticContact CE1-CG 3.73Å; H147-H550 AromaticContact CE1-ND1 3.33Å; H147-H550 PolarHBondContact CE1-ND1 3.36Å; H147-H550 VanDerWaalsContact CE1-ND1 3.33Å; H147-H550 AromaticContact CG-CD2 3.86Å; H147-H550 AromaticContact CG-CG 3.62Å; H147-H550 AromaticContact CG-ND1 3.79Å; H147-H550 AromaticContact ND1-CE1 3.6Å; H147-H550 AromaticContact ND1-CG 3.71Å; H147-H550 AromaticContact ND1-ND1 3.36Å; H147-H550 PolarHBondContact ND1-ND1 2.78Å; H147-H550 WeakPolarHBondContact NE2-CB 2.93Å; H147-H550 AromaticContact NE2-CG 3.71Å; H147-H550 AromaticContact NE2-ND1 3.76Å; H147-Y741 HydrophobicContact CB-CE1 4.19Å; H147-Y741 WeakPolarHBondContact CB-OH 3.33Å; H147-V742 HydrophobicContact CB-CG2 4.31Å
148	E	94.6	Very high	92.5	Very high	61 Å²	61	39.5 Å²	39.5	29%	0.285	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-41.2	174.1	-171.8	-174.2	-152.7	0	0	111.2	R137 F138 D145 A152	R137-E148 VanDerWaalsContact CZ-CD 3.45Å; R137-E148 IonicContact CZ-OE1 2.87Å; R137-E148 IonicContact NE-OE1 3.8Å; R137-E148 PolarHBondContact NE-OE1 2.94Å; R137-E148 VanDerWaalsContact NE-OE1 3.14Å; R137-E148 IonicContact NH1-OE1 3.92Å; R137-E148 PolarHBondContact NH1-OE1 2.96Å; R137-E148 IonicContact NH2-OE1 3.96Å; R137-E148 PolarHBondContact NH2-OE1 3.47Å; F138-E148 HydrophobicContact CE1-CG 4.46Å; F138-E148 HydrophobicContact CZ-CG 4.05Å; D145-E148 HydrophobicContact CB-CB 3.88Å; D145-E148 PolarHBondContact O-N 2.98Å; E148-A152 WeakPolarHBondContact O-CB 3.24Å; E148-A152 PolarHBondContact O-N 3.47Å
149	L	95.5	Very high	92.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-45.5	173.4	176.7	129.8	0	0	0	112.3	Y45 L46 A49 F131 F138 D145 S146 H147 R151 A152 L153	Y45-L149 HydrophobicContact CD2-CB 4.07Å; Y45-L149 HydrophobicContact CD2-CD1 3.8Å; Y45-L149 HydrophobicContact CD2-CG 4.41Å; Y45-L149 HydrophobicContact CE2-CB 4.24Å; Y45-L149 HydrophobicContact CE2-CD1 3.35Å; Y45-L149 HydrophobicContact CE2-CG 4.35Å; L46-L149 HydrophobicContact CB-CD1 4.09Å; L46-L149 HydrophobicContact CD1-CD1 3.7Å; L46-L149 HydrophobicContact CD1-CD2 4Å; L46-L149 HydrophobicContact CD1-CG 4.48Å; L46-L149 HydrophobicContact CG-CD1 4.48Å; A49-L149 HydrophobicContact CB-CD2 3.52Å; F131-L149 HydrophobicContact CD1-CD1 4.39Å; F131-L149 HydrophobicContact CE1-CD1 3.63Å; F131-L149 HydrophobicContact CE1-CG 4.2Å; F131-L149 HydrophobicContact CZ-CD1 4.22Å; F131-L149 HydrophobicContact CZ-CG 4.3Å; F138-L149 HydrophobicContact CD1-CD1 4.38Å; F138-L149 HydrophobicContact CE1-CB 3.9Å; F138-L149 HydrophobicContact CZ-CB 4.1Å; D145-L149 PolarHBondContact O-N 3.12Å; S146-L149 PolarHBondContact O-N 3.3Å; H147-L149 VanDerWaalsContact C-N 3.29Å; H147-L149 PolarHBondContact O-N 3.41Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.3Å; L149-A152 PolarHBondContact O-N 3.11Å; L149-L153 WeakPolarHBondContact O-CB 3.38Å; L149-L153 PolarHBondContact O-N 3.35Å
150	I	96.6	Very high	92.7	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-48.4	178.3	-70.3	157.3	0	0	0	110.3	A49 S146 H147 L153 L154 I599 V742 F744	A49-I150 HydrophobicContact CB-CD1 4.13Å; A49-I150 HydrophobicContact CB-CG1 3.7Å; S146-I150 WeakPolarHBondContact O-CD1 3.37Å; S146-I150 VanDerWaalsContact O-CG1 3.24Å; S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 3.08Å; H147-I150 PolarHBondContact O-N 3.29Å; H147-I150 VanDerWaalsContact O-N 3.17Å; I150-L153 PolarHBondContact O-N 2.85Å; I150-L154 HydrophobicContact CG2-CD1 4.03Å; I150-L154 HydrophobicContact CG2-CG 4.38Å; I150-L154 WeakPolarHBondContact O-CB 3.33Å; I150-L154 WeakPolarHBondContact O-CG 3.22Å; I150-L154 PolarHBondContact O-N 3.03Å; I150-I599 HydrophobicContact CD1-CD1 3.83Å; I150-V742 HydrophobicContact CD1-CG1 4.38Å; I150-F744 HydrophobicContact CD1-CZ 3.76Å
151	R	95.3	Very high	92.9	Very high	102 Å²	102	39 Å²	39	39%	0.385	17%	0.17	S	C	.	.	H	α-helix	trans	-59.7	-49.6	177.8	-66.5	-170.6	79.5	97.4	11.2	111.5	H147 L149 L153 L154 D155 D230	H147-R151 WeakPolarHBondContact O-CG 3.38Å; H147-R151 PolarHBondContact O-N 3.45Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.3Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 3.4Å; R151-L154 PolarHBondContact O-N 3.08Å; R151-D155 WeakPolarHBondContact O-CB 3.38Å; R151-D155 VanDerWaalsContact O-CG 3.29Å; R151-D155 PolarHBondContact O-N 2.9Å; R151-D230 IonicContact CZ-OD1 2.88Å; R151-D230 VanDerWaalsContact CZ-OD1 3.27Å; R151-D230 IonicContact NH1-OD1 3.51Å; R151-D230 PolarHBondContact NH1-OD1 3.14Å; R151-D230 IonicContact NH1-OD2 3.03Å; R151-D230 PolarHBondContact NH1-OD2 3.07Å; R151-D230 IonicContact NH2-OD1 3.36Å
152	A	95.7	Very high	93.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-40.4	179.9	0	0	0	0	0	112.5	F131 F138 E148 L149 D155 C156 L405	F131-A152 HydrophobicContact CZ-CB 4.14Å; F138-A152 HydrophobicContact CE2-CB 3.57Å; F138-A152 HydrophobicContact CZ-CB 3.97Å; E148-A152 WeakPolarHBondContact O-CB 3.24Å; E148-A152 PolarHBondContact O-N 3.47Å; L149-A152 PolarHBondContact O-N 3.11Å; A152-D155 PolarHBondContact O-N 3.31Å; A152-C156 WeakPolarHBondContact O-CB 3.48Å; A152-C156 PolarHBondContact O-N 2.94Å; A152-C156 PolarHBondContact O-SG 3.36Å; A152-L405 HydrophobicContact CB-CD1 3.84Å
153	L	95.5	Very high	93.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-49.4	176	176.7	55.3	0	0	0	111.6	L50 L53 L95 F99 F127 F131 L149 I150 R151 D155 C156 L157	L50-L153 HydrophobicContact CD2-CD2 4.42Å; L53-L153 HydrophobicContact CD1-CD2 3.72Å; L95-L153 HydrophobicContact CD1-CD1 4.43Å; L95-L153 HydrophobicContact CD2-CD1 4.12Å; L95-L153 HydrophobicContact CG-CD1 4.47Å; F99-L153 HydrophobicContact CE2-CD2 4.02Å; F99-L153 HydrophobicContact CZ-CD2 4.1Å; F127-L153 HydrophobicContact CE2-CD1 4.06Å; F127-L153 HydrophobicContact CZ-CD1 3.66Å; F127-L153 HydrophobicContact CZ-CD2 3.99Å; F127-L153 HydrophobicContact CZ-CG 4.48Å; F131-L153 HydrophobicContact CD2-CD1 4.16Å; F131-L153 HydrophobicContact CE2-CB 4.05Å; F131-L153 HydrophobicContact CE2-CD1 4.26Å; F131-L153 HydrophobicContact CZ-CB 4.49Å; L149-L153 WeakPolarHBondContact O-CB 3.38Å; L149-L153 PolarHBondContact O-N 3.35Å; I150-L153 PolarHBondContact O-N 2.85Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 3.4Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.28Å; L153-C156 PolarHBondContact O-N 2.68Å; L153-L157 HydrophobicContact CD1-CD1 4.19Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.26Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.27Å
154	L	94.6	Very high	93.5	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-39.8	177.8	-68.4	-177.2	0	0	0	111.7	I150 R151 L157 K158 V201 F205 L229	I150-L154 HydrophobicContact CG2-CD1 4.03Å; I150-L154 HydrophobicContact CG2-CG 4.38Å; I150-L154 WeakPolarHBondContact O-CB 3.33Å; I150-L154 WeakPolarHBondContact O-CG 3.22Å; I150-L154 PolarHBondContact O-N 3.03Å; R151-L154 PolarHBondContact O-N 3.08Å; L154-L157 PolarHBondContact O-N 2.87Å; L154-K158 VanDerWaalsContact O-CB 3.23Å; L154-K158 WeakPolarHBondContact O-CB 3.33Å; L154-K158 PolarHBondContact O-N 3.38Å; L154-V201 HydrophobicContact CB-CG1 3.91Å; L154-V201 HydrophobicContact CD2-CG1 4.17Å; L154-V201 HydrophobicContact CD2-CG2 4.4Å; L154-V201 HydrophobicContact CG-CG1 4.43Å; L154-F205 HydrophobicContact CD1-CD2 4.45Å; L154-F205 HydrophobicContact CD1-CG 4.29Å; L154-F205 HydrophobicContact CD2-CD2 4.11Å; L154-F205 HydrophobicContact CD2-CE2 4.05Å; L154-L229 HydrophobicContact CB-CD1 4.25Å
155	D	93.9	Very high	93.5	Very high	49 Å²	49	23.5 Å²	23.5	26%	0.262	11%	0.114	S	C	.	.	H	α-helix	trans	-64.6	-42.3	175.3	-74.2	-24.6	0	0	0	111.9	R151 A152 L153 K158 Q159	R151-D155 WeakPolarHBondContact O-CB 3.38Å; R151-D155 VanDerWaalsContact O-CG 3.29Å; R151-D155 PolarHBondContact O-N 2.9Å; A152-D155 PolarHBondContact O-N 3.31Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.28Å; D155-K158 WeakPolarHBondContact O-CB 3.49Å; D155-K158 PolarHBondContact O-N 2.96Å; D155-Q159 WeakPolarHBondContact O-CB 3.32Å; D155-Q159 WeakPolarHBondContact O-CG 3.24Å; D155-Q159 PolarHBondContact O-N 2.98Å
156	C	94.1	Very high	93.4	Very high	2 Å²	2	25 Å²	25	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-43.7	176.4	-71.6	0	0	0	0	112.5	L95 C135 A152 L153 K158 Q159 E160	L95-C156 HydrophobicContact CD2-CB 3.31Å; C135-C156 PolarHBondContact SG-SG 2.79Å; A152-C156 WeakPolarHBondContact O-CB 3.48Å; A152-C156 PolarHBondContact O-N 2.94Å; A152-C156 PolarHBondContact O-SG 3.36Å; L153-C156 PolarHBondContact O-N 2.68Å; C156-K158 VanDerWaalsContact C-N 3.33Å; C156-K158 PolarHBondContact O-N 2.89Å; C156-Q159 PolarHBondContact O-N 3.31Å; C156-E160 PolarHBondContact O-N 3.14Å; C156-E160 VanDerWaalsContact O-N 3.07Å
157	L	93.2	Very high	93.1	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-44	175.3	-67.3	172.8	0	0	0	110.8	L95 T96 F99 L153 L154 Q159 E160 E161 V201	L95-L157 HydrophobicContact CD2-CD2 4.36Å; L95-L157 HydrophobicContact CG-CD2 4.26Å; T96-L157 HydrophobicContact CG2-CD2 4.4Å; T96-L157 WeakPolarHBondContact OG1-CD2 3.13Å; F99-L157 HydrophobicContact CB-CD2 4.47Å; F99-L157 HydrophobicContact CD1-CD1 3.65Å; F99-L157 HydrophobicContact CD1-CD2 4.09Å; F99-L157 HydrophobicContact CE1-CD1 3.62Å; L153-L157 HydrophobicContact CD1-CD1 4.19Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.26Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.27Å; L154-L157 PolarHBondContact O-N 2.87Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.08Å; L157-E160 PolarHBondContact O-N 2.94Å; L157-E161 PolarHBondContact O-N 3.28Å; L157-V201 HydrophobicContact CB-CG2 3.88Å
158	K	92.7	Very high	92.9	Very high	41 Å²	41	29.2 Å²	29.2	18%	0.178	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-43.2	174.6	177.6	170.4	-178.4	162.8	0	111.8	L154 D155 C156 E161 L162 S196 T199 V201 D202	L154-K158 VanDerWaalsContact O-CB 3.23Å; L154-K158 WeakPolarHBondContact O-CB 3.33Å; L154-K158 PolarHBondContact O-N 3.38Å; D155-K158 WeakPolarHBondContact O-CB 3.49Å; D155-K158 PolarHBondContact O-N 2.96Å; C156-K158 VanDerWaalsContact C-N 3.33Å; C156-K158 PolarHBondContact O-N 2.89Å; K158-E161 PolarHBondContact O-N 3.42Å; K158-L162 WeakPolarHBondContact O-CB 3.49Å; K158-L162 PolarHBondContact O-N 2.71Å; K158-S196 WeakPolarHBondContact CE-O 3.34Å; K158-S196 PolarHBondContact NZ-O 2.92Å; K158-T199 HydrophobicContact CG-CG2 3.84Å; K158-V201 HydrophobicContact CB-CB 4.31Å; K158-V201 HydrophobicContact CB-CG2 4.34Å; K158-D202 VanDerWaalsContact CE-OD2 3.24Å; K158-D202 WeakPolarHBondContact CE-OD2 3.3Å; K158-D202 IonicContact NZ-OD1 3.89Å; K158-D202 PolarHBondContact NZ-OD1 2.83Å; K158-D202 IonicContact NZ-OD2 3.51Å; K158-D202 PolarHBondContact NZ-OD2 3.06Å
159	Q	92.4	Very high	92.7	Very high	70 Å²	70	26.5 Å²	26.5	33%	0.327	13%	0.125	S	C	.	.	H	α-helix	trans	-66.7	-39.2	179.7	-74.5	172.6	31.6	0	0	113.2	D155 C156 L157 L162 S163	D155-Q159 WeakPolarHBondContact O-CB 3.32Å; D155-Q159 WeakPolarHBondContact O-CG 3.24Å; D155-Q159 PolarHBondContact O-N 2.98Å; C156-Q159 PolarHBondContact O-N 3.31Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.08Å; Q159-L162 PolarHBondContact O-N 3.41Å; Q159-S163 WeakPolarHBondContact O-CB 3.4Å; Q159-S163 PolarHBondContact O-N 2.73Å; Q159-S163 PolarHBondContact O-OG 2.8Å
160	E	91.9	Very high	92.4	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-46	175.4	-71.7	-166.1	151.6	0	0	111.2	C93 P94 L95 T96 R134 C156 L157 S163 R164	C93-E160 HydrophobicContact CB-CB 4.3Å; C93-E160 WeakPolarHBondContact CB-OE2 3.42Å; P94-E160 WeakPolarHBondContact CD-OE1 3.29Å; L95-E160 PolarHBondContact N-OE1 2.8Å; T96-E160 VanDerWaalsContact CB-OE2 3.31Å; T96-E160 WeakPolarHBondContact CB-OE2 3.36Å; T96-E160 PolarHBondContact N-OE2 2.94Å; T96-E160 PolarHBondContact OG1-OE2 2.85Å; R134-E160 IonicContact CZ-OE1 3.07Å; R134-E160 IonicContact NH1-OE1 3.27Å; R134-E160 PolarHBondContact NH1-OE1 2.8Å; R134-E160 IonicContact NH2-OE1 3.73Å; R134-E160 PolarHBondContact NH2-OE1 3.01Å; C156-E160 PolarHBondContact O-N 3.14Å; C156-E160 VanDerWaalsContact O-N 3.07Å; L157-E160 PolarHBondContact O-N 2.94Å; E160-S163 PolarHBondContact O-N 3.4Å; E160-R164 PolarHBondContact O-N 2.88Å
161	E	90.1	Very high	92.1	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-70.2	-39.1	176.8	-168.3	-178.8	172.9	0	0	112.6	L157 K158 S163 R164 W165 T199 I200 R203	L157-E161 PolarHBondContact O-N 3.28Å; K158-E161 PolarHBondContact O-N 3.42Å; E161-S163 PolarHBondContact O-N 3.04Å; E161-R164 WeakPolarHBondContact O-CA 3.28Å; E161-R164 WeakPolarHBondContact O-CB 3.37Å; E161-R164 PolarHBondContact O-N 2.77Å; E161-W165 PolarHBondContact O-N 3.31Å; E161-T199 HydrophobicContact CB-CG2 4.31Å; E161-T199 HydrophobicContact CG-CG2 4.47Å; E161-T199 WeakPolarHBondContact OE2-CA 3.4Å; E161-T199 VanDerWaalsContact OE2-CB 3.29Å; E161-T199 WeakPolarHBondContact OE2-CB 3.37Å; E161-I200 PolarHBondContact OE1-N 2.74Å; E161-I200 WeakPolarHBondContact OE2-CB 3.49Å; E161-I200 WeakPolarHBondContact OE2-CD1 3.49Å; E161-I200 VanDerWaalsContact OE2-CG1 3.27Å; E161-I200 WeakPolarHBondContact OE2-CG1 3.16Å; E161-I200 PolarHBondContact OE2-N 3.28Å; E161-R203 IonicContact OE1-NH2 2.77Å; E161-R203 PolarHBondContact OE1-NH2 2.71Å
162	L	91.4	Very high	91.8	Very high	28 Å²	28	34.7 Å²	34.7	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-31.9	177.1	-173.4	65.5	0	0	0	111.6	K158 Q159 R164 W165 K166 A195 T199	K158-L162 WeakPolarHBondContact O-CB 3.49Å; K158-L162 PolarHBondContact O-N 2.71Å; Q159-L162 PolarHBondContact O-N 3.41Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-W165 HydrophobicContact CD1-CB 4.44Å; L162-W165 WeakPolarHBondContact O-CB 3.26Å; L162-W165 PolarHBondContact O-N 3.16Å; L162-K166 WeakPolarHBondContact O-CG 3.38Å; L162-K166 PolarHBondContact O-N 2.88Å; L162-A195 HydrophobicContact CD1-CB 4.09Å; L162-T199 HydrophobicContact CB-CG2 4.45Å
163	S	91.3	Very high	91.5	Very high	50 Å²	50	37 Å²	37	35%	0.35	18%	0.182	S	C	.	.	H	α-helix	trans	-64.6	-39.1	173.6	-59.9	0	0	0	0	111.6	Q159 E160 E161 K166 K167	Q159-S163 WeakPolarHBondContact O-CB 3.4Å; Q159-S163 PolarHBondContact O-N 2.73Å; Q159-S163 PolarHBondContact O-OG 2.8Å; E160-S163 PolarHBondContact O-N 3.4Å; E161-S163 PolarHBondContact O-N 3.04Å; S163-K166 PolarHBondContact O-N 3.21Å; S163-K167 PolarHBondContact O-N 3.18Å; S163-K167 VanDerWaalsContact O-N 3.08Å
164	R	90.7	Very high	91.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-42.4	171.6	-61.1	177.6	67.4	-167.3	4.3	111.4	V64 E67 L88 P89 M91 E160 E161 L162 K167 G168	V64-R164 PolarHBondContact O-NH1 2.81Å; E67-R164 PolarHBondContact O-NH2 2.79Å; L88-R164 HydrophobicContact CD2-CB 4.47Å; L88-R164 PolarHBondContact O-NH2 2.85Å; P89-R164 PolarHBondContact O-NE 2.95Å; P89-R164 PolarHBondContact O-NH2 3.38Å; M91-R164 HydrophobicContact CB-CG 4.02Å; M91-R164 HydrophobicContact CG-CG 4.09Å; M91-R164 HydrophobicContact SD-CB 4.32Å; M91-R164 HydrophobicContact SD-CG 3.86Å; E160-R164 PolarHBondContact O-N 2.88Å; E161-R164 WeakPolarHBondContact O-CA 3.28Å; E161-R164 WeakPolarHBondContact O-CB 3.37Å; E161-R164 PolarHBondContact O-N 2.77Å; L162-R164 VanDerWaalsContact C-N 3.34Å; R164-K167 PolarHBondContact O-N 2.88Å; R164-G168 PolarHBondContact O-N 3.07Å
165	W	90.9	Very high	90.7	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.011	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-49.6	174.9	-83.5	106.8	0	0	0	112.3	L73 V86 L88 E161 L162 K167 G168 I169 A195 A198	L73-W165 HydrophobicContact CD1-CE3 3.71Å; L73-W165 HydrophobicContact CD1-CH2 4.48Å; L73-W165 HydrophobicContact CD1-CZ3 3.64Å; L73-W165 HydrophobicContact CD2-CD2 4.38Å; L73-W165 HydrophobicContact CD2-CE3 3.95Å; L73-W165 HydrophobicContact CD2-CH2 3.56Å; L73-W165 HydrophobicContact CD2-CZ2 4.04Å; L73-W165 HydrophobicContact CD2-CZ3 3.57Å; L73-W165 HydrophobicContact CG-CE3 3.86Å; L73-W165 HydrophobicContact CG-CH2 3.71Å; L73-W165 HydrophobicContact CG-CZ3 3.3Å; V86-W165 HydrophobicContact CB-CE3 4.4Å; V86-W165 HydrophobicContact CB-CZ3 3.91Å; V86-W165 HydrophobicContact CG1-CE3 4.43Å; V86-W165 HydrophobicContact CG1-CZ3 4.4Å; V86-W165 HydrophobicContact CG2-CZ3 4.13Å; L88-W165 HydrophobicContact CD1-CD2 4.46Å; L88-W165 HydrophobicContact CD1-CZ2 4.16Å; L88-W165 HydrophobicContact CD2-CB 4.36Å; L88-W165 HydrophobicContact CD2-CD2 3.55Å; L88-W165 HydrophobicContact CD2-CE3 3.63Å; L88-W165 HydrophobicContact CD2-CG 3.87Å; L88-W165 HydrophobicContact CD2-CZ2 4.47Å; L88-W165 HydrophobicContact CD2-CZ3 4.11Å; E161-W165 PolarHBondContact O-N 3.31Å; L162-W165 HydrophobicContact CD1-CB 4.44Å; L162-W165 WeakPolarHBondContact O-CB 3.26Å; L162-W165 PolarHBondContact O-N 3.16Å; W165-K167 VanDerWaalsContact C-N 3.34Å; W165-K167 PolarHBondContact O-N 3.13Å; W165-G168 PolarHBondContact O-N 3.37Å; W165-I169 WeakPolarHBondContact O-CB 3.36Å; W165-I169 WeakPolarHBondContact O-CD1 3.22Å; W165-I169 WeakPolarHBondContact O-CG1 3.42Å; W165-I169 PolarHBondContact O-N 3.34Å; W165-A195 HydrophobicContact CB-CB 4.05Å; W165-A195 HydrophobicContact CD2-CB 4.43Å; W165-A195 HydrophobicContact CG-CB 4.24Å; W165-A198 HydrophobicContact CZ2-CB 3.93Å
166	K	90.5	Very high	90	Very high	60 Å²	60	46.4 Å²	46.4	26%	0.261	23%	0.232	S	C	.	.	H	α-helix	trans	-56.4	-48.5	178.1	-73.4	175.5	180	-178.8	0	111.1	L162 S163 I169 L170	L162-K166 WeakPolarHBondContact O-CG 3.38Å; L162-K166 PolarHBondContact O-N 2.88Å; S163-K166 PolarHBondContact O-N 3.21Å; K166-I169 PolarHBondContact O-N 3.29Å; K166-L170 VanDerWaalsContact O-CG 3.3Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.2Å; K166-L170 VanDerWaalsContact O-N 3.12Å
167	K	89.3	Confident	89.2	Confident	104 Å²	104	49.9 Å²	49.9	45%	0.452	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-44.8	177.7	-168.4	174.2	179.7	176.6	0	111.9	P89 M91 S163 R164 W165 I169 L170 L171	P89-K167 HydrophobicContact CB-CD 4.48Å; P89-K167 HydrophobicContact CG-CB 3.94Å; P89-K167 HydrophobicContact CG-CD 3.79Å; P89-K167 HydrophobicContact CG-CG 3.85Å; M91-K167 HydrophobicContact CG-CD 4.41Å; M91-K167 HydrophobicContact SD-CB 4.22Å; M91-K167 HydrophobicContact SD-CD 3.91Å; S163-K167 PolarHBondContact O-N 3.18Å; S163-K167 VanDerWaalsContact O-N 3.08Å; R164-K167 PolarHBondContact O-N 2.88Å; W165-K167 VanDerWaalsContact C-N 3.34Å; W165-K167 PolarHBondContact O-N 3.13Å; K167-I169 PolarHBondContact O-N 2.98Å; K167-L170 PolarHBondContact O-N 3.26Å; K167-L171 HydrophobicContact CG-CD1 4.33Å; K167-L171 VanDerWaalsContact O-CG 3.3Å; K167-L171 WeakPolarHBondContact O-CG 3.36Å; K167-L171 PolarHBondContact O-N 3.29Å
168	G	90.5	Very high	88.5	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-41.6	177.7	0	0	0	0	0	113.3	V86 R164 W165 L171 K172	V86-G168 VanDerWaalsContact CG1-CA 3.46Å; V86-G168 WeakPolarHBondContact CG1-O 3.44Å; R164-G168 PolarHBondContact O-N 3.07Å; W165-G168 PolarHBondContact O-N 3.37Å; G168-L171 PolarHBondContact O-N 2.99Å; G168-K172 WeakPolarHBondContact O-CB 3.21Å; G168-K172 PolarHBondContact O-N 3.07Å
169	I	90.6	Very high	88	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-45.7	177.6	-68.5	164.4	0	0	0	110.4	L73 L84 V86 W165 K166 K167 L171 K172 L173 W191 A195	L73-I169 HydrophobicContact CD1-CD1 3.71Å; L73-I169 HydrophobicContact CD1-CG1 4.08Å; L84-I169 HydrophobicContact CD2-CG1 4.39Å; L84-I169 HydrophobicContact CD2-CG2 4.42Å; V86-I169 HydrophobicContact CG2-CG1 4.13Å; W165-I169 WeakPolarHBondContact O-CB 3.36Å; W165-I169 WeakPolarHBondContact O-CD1 3.22Å; W165-I169 WeakPolarHBondContact O-CG1 3.42Å; W165-I169 PolarHBondContact O-N 3.34Å; K166-I169 PolarHBondContact O-N 3.29Å; K167-I169 PolarHBondContact O-N 2.98Å; I169-L171 VanDerWaalsContact C-N 3.35Å; I169-L171 PolarHBondContact O-N 3.02Å; I169-K172 PolarHBondContact O-N 2.79Å; I169-L173 HydrophobicContact CG2-CD1 3.71Å; I169-L173 HydrophobicContact CG2-CG 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 WeakPolarHBondContact O-CG 3.43Å; I169-L173 PolarHBondContact O-N 3.18Å; I169-W191 HydrophobicContact CD1-CB 4.23Å; I169-W191 HydrophobicContact CG2-CB 4Å; I169-A195 HydrophobicContact CD1-CB 3.9Å
170	L	89.7	Confident	87.5	Confident	44 Å²	44	60.3 Å²	60.3	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-44.2	177.7	-70.1	166.9	0	0	0	111.9	K166 K167 K172 L173 N174 V175 P177 I188	K166-L170 VanDerWaalsContact O-CG 3.3Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.2Å; K166-L170 VanDerWaalsContact O-N 3.12Å; K167-L170 PolarHBondContact O-N 3.26Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.47Å; L170-L173 PolarHBondContact O-N 3.12Å; L170-N174 PolarHBondContact O-N 3.32Å; L170-V175 PolarHBondContact O-N 2.92Å; L170-P177 HydrophobicContact CD1-CG 4.08Å; L170-I188 HydrophobicContact CD2-CD1 4.06Å
171	L	90.1	Very high	87.1	Confident	114 Å²	114	66.4 Å²	66.4	60%	0.597	33%	0.331	S	S	*	.	H	α-helix	trans	-61.4	-41.7	174.8	-70.2	171.6	0	0	0	111.8	P89 K167 G168 I169 N174	P89-L171 HydrophobicContact CG-CD1 4.42Å; K167-L171 HydrophobicContact CG-CD1 4.33Å; K167-L171 VanDerWaalsContact O-CG 3.3Å; K167-L171 WeakPolarHBondContact O-CG 3.36Å; K167-L171 PolarHBondContact O-N 3.29Å; G168-L171 PolarHBondContact O-N 2.99Å; I169-L171 VanDerWaalsContact C-N 3.35Å; I169-L171 PolarHBondContact O-N 3.02Å; L171-N174 PolarHBondContact O-N 3.49Å
172	K	89.4	Confident	86.7	Confident	121 Å²	121	71.8 Å²	71.8	53%	0.526	36%	0.36	S	S	.	.	H	α-helix	trans	-71.2	-34	-179	-171.9	63.1	179.4	-175.2	0	113	L84 C85 G168 I169 L170 N174	L84-K172 HydrophobicContact CD1-CG 3.71Å; L84-K172 HydrophobicContact CG-CG 4.23Å; C85-K172 VanDerWaalsContact O-CD 3.31Å; C85-K172 WeakPolarHBondContact O-CD 3.27Å; C85-K172 WeakPolarHBondContact O-CE 3.44Å; C85-K172 WeakPolarHBondContact O-CG 3.48Å; G168-K172 WeakPolarHBondContact O-CB 3.21Å; G168-K172 PolarHBondContact O-N 3.07Å; I169-K172 PolarHBondContact O-N 2.79Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.47Å; K172-N174 VanDerWaalsContact C-N 3.3Å
173	L	88.8	Confident	86.2	Confident	50 Å²	50	75 Å²	75	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-83.2	-6.3	176.9	-64.2	177.9	0	0	0	112.9	I169 L170 V175 I188	I169-L173 HydrophobicContact CG2-CD1 3.71Å; I169-L173 HydrophobicContact CG2-CG 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 WeakPolarHBondContact O-CG 3.43Å; I169-L173 PolarHBondContact O-N 3.18Å; L170-L173 PolarHBondContact O-N 3.12Å; L173-V175 HydrophobicContact CB-CG2 3.92Å; L173-V175 PolarHBondContact O-N 3.1Å; L173-I188 HydrophobicContact CD1-CG1 3.86Å
174	N	87.8	Confident	85.9	Confident	150 Å²	150	74.3 Å²	74.3	80%	0.802	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	36.4	-176.4	-160.4	45.6	0	0	0	113.4	L170 L171 K172	L170-N174 PolarHBondContact O-N 3.32Å; L171-N174 PolarHBondContact O-N 3.49Å; K172-N174 VanDerWaalsContact C-N 3.3Å
175	V	85.6	Confident	85.7	Confident	13 Å²	13	77.9 Å²	77.9	8%	0.079	38%	0.384	C	S	.	.			trans	-102.6	128.7	-178.6	-179.9	0	0	0	0	110.3	L170 L173 V180 E184 I188	L170-V175 PolarHBondContact O-N 2.92Å; L173-V175 HydrophobicContact CB-CG2 3.92Å; L173-V175 PolarHBondContact O-N 3.1Å; V175-V180 HydrophobicContact CG1-CB 4.37Å; V175-V180 HydrophobicContact CG1-CG1 4.09Å; V175-V180 HydrophobicContact CG1-CG2 3.88Å; V175-E184 HydrophobicContact CG2-CB 4.36Å; V175-E184 HydrophobicContact CG2-CG 4.3Å; V175-I188 HydrophobicContact CB-CD1 4.24Å; V175-I188 HydrophobicContact CG1-CD1 3.9Å; V175-I188 HydrophobicContact CG2-CD1 4.32Å
176	N	79.9	Confident	85.4	Confident	90 Å²	90	82.7 Å²	82.7	48%	0.481	41%	0.407	S	S	.	.			trans	-81.4	125.2	171.1	-166.9	-13	0	0	0	109.6	K178 D179	N176-K178 PolarHBondContact O-N 2.85Å; N176-D179 PolarHBondContact O-N 3.18Å; N176-D179 VanDerWaalsContact O-N 3.08Å
177	P	77.2	Confident	85.2	Confident	75 Å²	75	81.9 Å²	81.9	49%	0.487	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.5	-179.2	-29.7	36	0	0	0	115.5	L170	L170-P177 HydrophobicContact CD1-CG 4.08Å
178	K	77.1	Confident	85.1	Confident	178 Å²	178	78.8 Å²	78.8	77%	0.774	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-27	-178.2	-64	-177.5	-179.6	178.3	0	113.5	N176	N176-K178 PolarHBondContact O-N 2.85Å
179	D	82.3	Confident	85	Confident	121 Å²	121	85 Å²	85	65%	0.647	42%	0.42	S	S	*	.	S	Bend	trans	-129.7	64.1	-169.1	-59.8	-43.1	0	0	0	110.5	N176	N176-D179 PolarHBondContact O-N 3.18Å; N176-D179 VanDerWaalsContact O-N 3.08Å
180	V	82	Confident	84.9	Confident	37 Å²	37	86.1 Å²	86.1	22%	0.224	43%	0.428	C	S	.	.			trans	-95.9	120.7	-176.8	-167.5	0	0	0	0	110.6	V175 E184 K185 I188	V175-V180 HydrophobicContact CG1-CB 4.37Å; V175-V180 HydrophobicContact CG1-CG1 4.09Å; V175-V180 HydrophobicContact CG1-CG2 3.88Å; V180-E184 HydrophobicContact CG1-CB 3.84Å; V180-K185 HydrophobicContact CB-CG 4.13Å; V180-K185 HydrophobicContact CG1-CB 4.38Å; V180-K185 HydrophobicContact CG1-CG 3.5Å; V180-K185 VanDerWaalsContact CG1-CG 3.5Å; V180-K185 VanDerWaalsContact O-CE 3.23Å; V180-K185 WeakPolarHBondContact O-CE 3.41Å; V180-I188 HydrophobicContact CG1-CD1 3.75Å
181	R	84.2	Confident	84.9	Confident	136 Å²	136	84.5 Å²	84.5	51%	0.513	42%	0.419	S	S	.	.			trans	-72	157.9	173.1	-55.5	-167.8	-52.3	-83.4	-5.6	111.7	D183 E184 K185	R181-D183 VanDerWaalsContact C-N 3.31Å; R181-D183 WeakPolarHBondContact CB-OD1 3.35Å; R181-D183 IonicContact CZ-OD1 2.79Å; R181-D183 IonicContact CZ-OD2 3.14Å; R181-D183 IonicContact NE-OD1 2.71Å; R181-D183 PolarHBondContact NE-OD1 3.17Å; R181-D183 VanDerWaalsContact NE-OD1 3.16Å; R181-D183 IonicContact NE-OD2 3.49Å; R181-D183 PolarHBondContact NE-OD2 3.29Å; R181-D183 IonicContact NH2-OD1 3.83Å; R181-D183 IonicContact NH2-OD2 2.67Å; R181-D183 PolarHBondContact NH2-OD2 3.49Å; R181-D183 PolarHBondContact O-N 2.8Å; R181-E184 HydrophobicContact CB-CG 4.29Å; R181-E184 IonicContact CZ-OE1 2.76Å; R181-E184 IonicContact CZ-OE2 3.18Å; R181-E184 PolarHBondContact N-OE2 2.88Å; R181-E184 VanDerWaalsContact N-OE2 3.14Å; R181-E184 VanDerWaalsContact NH1-CD 3.31Å; R181-E184 IonicContact NH1-OE1 3.49Å; R181-E184 PolarHBondContact NH1-OE1 3.2Å; R181-E184 IonicContact NH1-OE2 2.73Å; R181-E184 VanDerWaalsContact NH2-CD 3.26Å; R181-E184 IonicContact NH2-OE1 3.2Å; R181-E184 PolarHBondContact NH2-OE1 2.96Å; R181-E184 PolarHBondContact O-N 3.3Å; R181-E184 VanDerWaalsContact O-N 3.13Å; R181-K185 WeakPolarHBondContact O-CG 3.28Å; R181-K185 PolarHBondContact O-N 2.82Å
182	D	81.8	Confident	84.9	Confident	124 Å²	124	80.1 Å²	80.1	66%	0.663	40%	0.401	S	S	*	.	H	α-helix	trans	-64.9	-32.3	-176.3	-70.6	-28.5	0	0	0	113.7	K185 E186	D182-K185 PolarHBondContact O-N 3.24Å; D182-K185 IonicContact OD1-NZ 2.7Å; D182-K185 PolarHBondContact OD1-NZ 3.39Å; D182-E186 PolarHBondContact O-N 3.27Å
183	D	80.1	Confident	84.9	Confident	97 Å²	97	76.8 Å²	76.8	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-41.1	171.7	58.5	-54.8	0	0	0	112	R181 E186 S187	R181-D183 VanDerWaalsContact C-N 3.31Å; R181-D183 WeakPolarHBondContact CB-OD1 3.35Å; R181-D183 IonicContact CZ-OD1 2.79Å; R181-D183 IonicContact CZ-OD2 3.14Å; R181-D183 IonicContact NE-OD1 2.71Å; R181-D183 PolarHBondContact NE-OD1 3.17Å; R181-D183 VanDerWaalsContact NE-OD1 3.16Å; R181-D183 IonicContact NE-OD2 3.49Å; R181-D183 PolarHBondContact NE-OD2 3.29Å; R181-D183 IonicContact NH2-OD1 3.83Å; R181-D183 IonicContact NH2-OD2 2.67Å; R181-D183 PolarHBondContact NH2-OD2 3.49Å; R181-D183 PolarHBondContact O-N 2.8Å; D183-E186 PolarHBondContact O-N 3.02Å; D183-S187 PolarHBondContact O-N 2.7Å
184	E	85.4	Confident	84.9	Confident	34 Å²	34	74.4 Å²	74.4	16%	0.159	37%	0.374	C	S	.	.	H	α-helix	trans	-70.3	-36	177.9	-66.2	174.5	153.6	0	0	111.7	V175 V180 R181 E186 S187 I188	V175-E184 HydrophobicContact CG2-CB 4.36Å; V175-E184 HydrophobicContact CG2-CG 4.3Å; V180-E184 HydrophobicContact CG1-CB 3.84Å; R181-E184 HydrophobicContact CB-CG 4.29Å; R181-E184 IonicContact CZ-OE1 2.76Å; R181-E184 IonicContact CZ-OE2 3.18Å; R181-E184 PolarHBondContact N-OE2 2.88Å; R181-E184 VanDerWaalsContact N-OE2 3.14Å; R181-E184 VanDerWaalsContact NH1-CD 3.31Å; R181-E184 IonicContact NH1-OE1 3.49Å; R181-E184 PolarHBondContact NH1-OE1 3.2Å; R181-E184 IonicContact NH1-OE2 2.73Å; R181-E184 VanDerWaalsContact NH2-CD 3.26Å; R181-E184 IonicContact NH2-OE1 3.2Å; R181-E184 PolarHBondContact NH2-OE1 2.96Å; R181-E184 PolarHBondContact O-N 3.3Å; R181-E184 VanDerWaalsContact O-N 3.13Å; E184-E186 VanDerWaalsContact C-N 3.29Å; E184-E186 PolarHBondContact O-N 3.15Å; E184-S187 PolarHBondContact O-N 2.71Å; E184-I188 WeakPolarHBondContact O-CB 3.3Å; E184-I188 VanDerWaalsContact O-CG1 3.24Å; E184-I188 WeakPolarHBondContact O-CG1 3.36Å; E184-I188 PolarHBondContact O-N 3.28Å
185	K	85.9	Confident	85.1	Confident	79 Å²	79	67.3 Å²	67.3	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-56.7	-44.2	176.1	-73.4	176.1	-165.1	156.7	0	111.2	V180 R181 D182 I188 R189	V180-K185 HydrophobicContact CB-CG 4.13Å; V180-K185 HydrophobicContact CG1-CB 4.38Å; V180-K185 HydrophobicContact CG1-CG 3.5Å; V180-K185 VanDerWaalsContact CG1-CG 3.5Å; V180-K185 VanDerWaalsContact O-CE 3.23Å; V180-K185 WeakPolarHBondContact O-CE 3.41Å; R181-K185 WeakPolarHBondContact O-CG 3.28Å; R181-K185 PolarHBondContact O-N 2.82Å; D182-K185 PolarHBondContact O-N 3.24Å; D182-K185 IonicContact OD1-NZ 2.7Å; D182-K185 PolarHBondContact OD1-NZ 3.39Å; K185-I188 PolarHBondContact O-N 3.23Å; K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 WeakPolarHBondContact O-CD 3.48Å; K185-R189 WeakPolarHBondContact O-CG 3.46Å; K185-R189 PolarHBondContact O-N 3.02Å
186	E	85.8	Confident	85.3	Confident	104 Å²	104	68.2 Å²	68.2	49%	0.486	34%	0.343	S	S	.	.	H	α-helix	trans	-68.4	-40.3	179.9	-170.8	54.1	-146.8	0	0	111.7	D182 D183 E184 R189 S190	D182-E186 PolarHBondContact O-N 3.27Å; D183-E186 PolarHBondContact O-N 3.02Å; E184-E186 VanDerWaalsContact C-N 3.29Å; E184-E186 PolarHBondContact O-N 3.15Å; E186-R189 PolarHBondContact O-N 3.28Å; E186-S190 VanDerWaalsContact O-CB 3.25Å; E186-S190 WeakPolarHBondContact O-CB 3.12Å; E186-S190 PolarHBondContact O-N 2.93Å
187	S	86	Confident	85.7	Confident	43 Å²	43	64.2 Å²	64.2	30%	0.301	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-47	174.4	-172.5	0	0	0	0	112.2	D183 E184 R189 S190 W191	D183-S187 PolarHBondContact O-N 2.7Å; E184-S187 PolarHBondContact O-N 2.71Å; S187-R189 PolarHBondContact O-N 3.21Å; S187-S190 WeakPolarHBondContact O-CB 3.36Å; S187-S190 PolarHBondContact O-N 3.28Å; S187-W191 VanDerWaalsContact O-CD1 3.24Å; S187-W191 PolarHBondContact O-N 3.43Å
188	I	88	Confident	86.2	Confident	40 Å²	40	60.7 Å²	60.7	21%	0.205	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-43.8	177.3	-68.5	164	0	0	0	110.6	L170 L173 V175 V180 E184 K185 S190 W191 G192	L170-I188 HydrophobicContact CD2-CD1 4.06Å; L173-I188 HydrophobicContact CD1-CG1 3.86Å; V175-I188 HydrophobicContact CB-CD1 4.24Å; V175-I188 HydrophobicContact CG1-CD1 3.9Å; V175-I188 HydrophobicContact CG2-CD1 4.32Å; V180-I188 HydrophobicContact CG1-CD1 3.75Å; E184-I188 WeakPolarHBondContact O-CB 3.3Å; E184-I188 VanDerWaalsContact O-CG1 3.24Å; E184-I188 WeakPolarHBondContact O-CG1 3.36Å; E184-I188 PolarHBondContact O-N 3.28Å; K185-I188 PolarHBondContact O-N 3.23Å; I188-S190 VanDerWaalsContact C-N 3.35Å; I188-W191 PolarHBondContact O-N 3.07Å; I188-G192 WeakPolarHBondContact O-CA 3.36Å; I188-G192 PolarHBondContact O-N 3.45Å
189	R	88.1	Confident	86.8	Confident	131 Å²	131	52.2 Å²	52.2	49%	0.494	26%	0.262	S	S	.	.	H	α-helix	trans	-61.6	-43.8	175.6	-75.2	168.6	-179.3	-177.6	0.2	111.4	K185 E186 S187 G192 K193	K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 WeakPolarHBondContact O-CD 3.48Å; K185-R189 WeakPolarHBondContact O-CG 3.46Å; K185-R189 PolarHBondContact O-N 3.02Å; E186-R189 PolarHBondContact O-N 3.28Å; S187-R189 PolarHBondContact O-N 3.21Å; R189-G192 PolarHBondContact O-N 3.26Å; R189-K193 WeakPolarHBondContact O-CG 3.44Å; R189-K193 PolarHBondContact O-N 2.86Å
190	S	87.6	Confident	87.1	Confident	27 Å²	27	46.8 Å²	46.8	19%	0.189	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-46.8	179.2	-170.7	0	0	0	0	111.9	K75 E186 S187 I188 K193 A194	K75-S190 WeakPolarHBondContact CD-OG 3.48Å; K75-S190 PolarHBondContact NZ-OG 3.41Å; E186-S190 VanDerWaalsContact O-CB 3.25Å; E186-S190 WeakPolarHBondContact O-CB 3.12Å; E186-S190 PolarHBondContact O-N 2.93Å; S187-S190 WeakPolarHBondContact O-CB 3.36Å; S187-S190 PolarHBondContact O-N 3.28Å; I188-S190 VanDerWaalsContact C-N 3.35Å; S190-K193 WeakPolarHBondContact O-CB 3.46Å; S190-K193 PolarHBondContact O-N 2.99Å; S190-A194 PolarHBondContact O-N 3.36Å; S190-A194 VanDerWaalsContact O-N 3.13Å
191	W	89.8	Confident	87.5	Confident	11 Å²	11	45.3 Å²	45.3	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-34.9	175.2	-74.7	116.4	0	0	0	113.1	L73 K75 C82 L84 I169 S187 I188 K193 A194 A195	L73-W191 HydrophobicContact CB-CE3 3.75Å; L73-W191 HydrophobicContact CB-CZ3 3.6Å; L73-W191 HydrophobicContact CD1-CE3 4.11Å; K75-W191 HydrophobicContact CB-CZ3 4.29Å; K75-W191 HydrophobicContact CD-CD2 3.89Å; K75-W191 HydrophobicContact CD-CE3 3.95Å; K75-W191 HydrophobicContact CD-CH2 3.94Å; K75-W191 HydrophobicContact CD-CZ2 3.89Å; K75-W191 HydrophobicContact CD-CZ3 3.96Å; K75-W191 VanDerWaalsContact CE-CE2 3.43Å; K75-W191 VanDerWaalsContact CE-CZ2 3.48Å; K75-W191 HydrophobicContact CG-CE3 4.38Å; K75-W191 HydrophobicContact CG-CH2 3.78Å; K75-W191 HydrophobicContact CG-CZ2 4.15Å; K75-W191 HydrophobicContact CG-CZ3 3.91Å; C82-W191 HydrophobicContact CB-CH2 4.28Å; C82-W191 HydrophobicContact CB-CZ2 4.37Å; L84-W191 HydrophobicContact CB-CD2 4.03Å; L84-W191 HydrophobicContact CB-CE3 3.83Å; L84-W191 HydrophobicContact CB-CH2 3.38Å; L84-W191 HydrophobicContact CB-CZ2 3.57Å; L84-W191 HydrophobicContact CB-CZ3 3.51Å; L84-W191 HydrophobicContact CD2-CD2 3.71Å; L84-W191 HydrophobicContact CD2-CE3 4.07Å; L84-W191 HydrophobicContact CD2-CG 3.94Å; L84-W191 HydrophobicContact CD2-CZ2 4.47Å; L84-W191 HydrophobicContact CG-CD2 4.48Å; L84-W191 HydrophobicContact CG-CZ2 4.46Å; I169-W191 HydrophobicContact CD1-CB 4.23Å; I169-W191 HydrophobicContact CG2-CB 4Å; S187-W191 VanDerWaalsContact O-CD1 3.24Å; S187-W191 PolarHBondContact O-N 3.43Å; I188-W191 PolarHBondContact O-N 3.07Å; W191-K193 VanDerWaalsContact C-N 3.33Å; W191-K193 PolarHBondContact O-N 2.99Å; W191-A194 HydrophobicContact CE3-CB 4.27Å; W191-A194 PolarHBondContact O-N 3.39Å; W191-A195 WeakPolarHBondContact O-CB 3.44Å; W191-A195 PolarHBondContact O-N 3.22Å
192	G	89.7	Confident	87.9	Confident	22 Å²	22	39.4 Å²	39.4	23%	0.227	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-39.4	173.1	0	0	0	0	0	112.3	I188 R189 A195 S196	I188-G192 WeakPolarHBondContact O-CA 3.36Å; I188-G192 PolarHBondContact O-N 3.45Å; R189-G192 PolarHBondContact O-N 3.26Å; G192-A195 PolarHBondContact O-N 2.65Å; G192-S196 PolarHBondContact O-N 2.71Å
193	K	89.5	Confident	88.1	Confident	50 Å²	50	34.4 Å²	34.4	22%	0.217	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-51.3	169.5	-75.4	177.3	-179	-179.7	0	110.3	R189 S190 W191 A195 S196 L428	R189-K193 WeakPolarHBondContact O-CG 3.44Å; R189-K193 PolarHBondContact O-N 2.86Å; S190-K193 WeakPolarHBondContact O-CB 3.46Å; S190-K193 PolarHBondContact O-N 2.99Å; W191-K193 VanDerWaalsContact C-N 3.33Å; W191-K193 PolarHBondContact O-N 2.99Å; K193-A195 VanDerWaalsContact C-N 3.28Å; K193-A195 PolarHBondContact O-N 3.33Å; K193-S196 VanDerWaalsContact O-CB 3.27Å; K193-S196 WeakPolarHBondContact O-CB 3.47Å; K193-S196 PolarHBondContact O-N 2.81Å; K193-S196 PolarHBondContact O-OG 2.78Å; K193-L428 HydrophobicContact CD-CD2 4.34Å; K193-L428 HydrophobicContact CG-CD2 3.47Å; K193-L428 VanDerWaalsContact CG-CD2 3.47Å
194	A	90.1	Very high	88.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-39.8	178.8	0	0	0	0	0	112.9	K75 S190 W191 S196 W645	K75-A194 HydrophobicContact CB-CB 4.27Å; S190-A194 PolarHBondContact O-N 3.36Å; S190-A194 VanDerWaalsContact O-N 3.13Å; W191-A194 HydrophobicContact CE3-CB 4.27Å; W191-A194 PolarHBondContact O-N 3.39Å; A194-S196 VanDerWaalsContact C-N 3.26Å; A194-S196 PolarHBondContact O-N 2.72Å; A194-W645 WeakPolarHBondContact CB-O 3.31Å
195	A	90.5	Very high	89	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-67.2	-22.4	176.9	0	0	0	0	0	114	L73 L162 W165 I169 W191 G192 K193 I197 A198	L73-A195 HydrophobicContact CD1-CB 3.94Å; L73-A195 HydrophobicContact CD2-CB 4.27Å; L162-A195 HydrophobicContact CD1-CB 4.09Å; W165-A195 HydrophobicContact CB-CB 4.05Å; W165-A195 HydrophobicContact CD2-CB 4.43Å; W165-A195 HydrophobicContact CG-CB 4.24Å; I169-A195 HydrophobicContact CD1-CB 3.9Å; W191-A195 WeakPolarHBondContact O-CB 3.44Å; W191-A195 PolarHBondContact O-N 3.22Å; G192-A195 PolarHBondContact O-N 2.65Å; K193-A195 VanDerWaalsContact C-N 3.28Å; K193-A195 PolarHBondContact O-N 3.33Å; A195-I197 PolarHBondContact O-N 2.86Å; A195-I197 VanDerWaalsContact O-N 3.13Å; A195-A198 WeakPolarHBondContact O-CB 3.38Å; A195-A198 PolarHBondContact O-N 2.83Å
196	S	90.3	Very high	89.3	Confident	32 Å²	32	25.4 Å²	25.4	22%	0.224	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.9	-176.4	73.1	0	0	0	0	114.8	K158 G192 K193 A194	K158-S196 WeakPolarHBondContact CE-O 3.34Å; K158-S196 PolarHBondContact NZ-O 2.92Å; G192-S196 PolarHBondContact O-N 2.71Å; K193-S196 VanDerWaalsContact O-CB 3.27Å; K193-S196 WeakPolarHBondContact O-CB 3.47Å; K193-S196 PolarHBondContact O-N 2.81Å; K193-S196 PolarHBondContact O-OG 2.78Å; A194-S196 VanDerWaalsContact C-N 3.26Å; A194-S196 PolarHBondContact O-N 2.72Å
197	I	88.8	Confident	89.7	Confident	7 Å²	7	20.5 Å²	20.5	4%	0.036	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	17.8	172.9	71.1	160.6	0	0	0	113	A195 D202 I208 P227 P643 W645	A195-I197 PolarHBondContact O-N 2.86Å; A195-I197 VanDerWaalsContact O-N 3.13Å; I197-D202 WeakPolarHBondContact CA-OD2 3.48Å; I197-D202 HydrophobicContact CB-CB 4.35Å; I197-D202 VanDerWaalsContact O-CB 3.23Å; I197-D202 WeakPolarHBondContact O-CB 3.22Å; I197-I208 HydrophobicContact CD1-CD1 4.42Å; I197-P227 HydrophobicContact CG2-CB 4.11Å; I197-P227 HydrophobicContact CG2-CG 4.32Å; I197-P643 HydrophobicContact CD1-CB 4.19Å; I197-P643 HydrophobicContact CD1-CG 3.64Å; I197-P643 HydrophobicContact CG1-CG 4.06Å; I197-W645 HydrophobicContact CD1-CB 3.53Å; I197-W645 HydrophobicContact CD1-CD2 3.51Å; I197-W645 HydrophobicContact CD1-CE3 3.55Å; I197-W645 HydrophobicContact CD1-CG 3.54Å; I197-W645 HydrophobicContact CD1-CZ3 4.47Å; I197-W645 HydrophobicContact CG1-CB 3.6Å; I197-W645 HydrophobicContact CG1-CD2 4.03Å; I197-W645 HydrophobicContact CG1-CG 3.62Å; I197-W645 HydrophobicContact CG2-CD2 4.36Å; I197-W645 HydrophobicContact CG2-CG 4.48Å
198	A	88	Confident	90.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	10%	0.1	C	C	.	.			trans	-94.5	-5.9	-176.3	0	0	0	0	0	113.6	L73 W165 A195 R203 S642	L73-A198 HydrophobicContact CD2-CB 3.39Å; W165-A198 HydrophobicContact CZ2-CB 3.93Å; A195-A198 WeakPolarHBondContact O-CB 3.38Å; A195-A198 PolarHBondContact O-N 2.83Å; A198-R203 PolarHBondContact O-NE 2.97Å; A198-S642 WeakPolarHBondContact CA-OG 3.48Å; A198-S642 WeakPolarHBondContact CB-OG 3.45Å
199	T	89.5	Confident	90.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-71.8	162.2	-173.5	74.6	0	0	0	0	111.9	K158 E161 L162 V201 D202 R203	K158-T199 HydrophobicContact CG-CG2 3.84Å; E161-T199 HydrophobicContact CB-CG2 4.31Å; E161-T199 HydrophobicContact CG-CG2 4.47Å; E161-T199 WeakPolarHBondContact OE2-CA 3.4Å; E161-T199 VanDerWaalsContact OE2-CB 3.29Å; E161-T199 WeakPolarHBondContact OE2-CB 3.37Å; L162-T199 HydrophobicContact CB-CG2 4.45Å; T199-V201 PolarHBondContact O-N 3.33Å; T199-D202 WeakPolarHBondContact CB-OD2 3.43Å; T199-D202 PolarHBondContact N-OD2 2.65Å; T199-D202 PolarHBondContact O-N 2.96Å; T199-D202 VanDerWaalsContact OG1-CG 3.32Å; T199-D202 PolarHBondContact OG1-N 3.18Å; T199-D202 PolarHBondContact OG1-OD2 2.88Å; T199-R203 WeakPolarHBondContact O-CB 3.04Å; T199-R203 VanDerWaalsContact O-CG 3.29Å; T199-R203 WeakPolarHBondContact O-CG 3.48Å; T199-R203 PolarHBondContact O-N 3.06Å; T199-R203 PolarHBondContact O-NE 2.81Å
200	I	87.8	Confident	90.8	Very high	7 Å²	7	11 Å²	11	4%	0.036	7%	0.069	C	C	.	.	H	α-helix	trans	-53.5	-41.9	172.3	-65.9	153.8	0	0	0	110.5	L62 L63 E161 R203 L204	L62-I200 HydrophobicContact CB-CG1 4.31Å; L62-I200 HydrophobicContact CB-CG2 3.57Å; L62-I200 HydrophobicContact CD1-CG2 4.34Å; L62-I200 WeakPolarHBondContact O-CD1 3.38Å; L62-I200 WeakPolarHBondContact O-CG1 3.43Å; L63-I200 HydrophobicContact CD2-CG2 4.41Å; E161-I200 PolarHBondContact OE1-N 2.74Å; E161-I200 WeakPolarHBondContact OE2-CB 3.49Å; E161-I200 WeakPolarHBondContact OE2-CD1 3.49Å; E161-I200 VanDerWaalsContact OE2-CG1 3.27Å; E161-I200 WeakPolarHBondContact OE2-CG1 3.16Å; E161-I200 PolarHBondContact OE2-N 3.28Å; I200-R203 PolarHBondContact O-N 2.93Å; I200-L204 HydrophobicContact CG2-CD1 3.97Å; I200-L204 WeakPolarHBondContact O-CB 3.21Å; I200-L204 WeakPolarHBondContact O-CG 3.38Å; I200-L204 PolarHBondContact O-N 3.22Å
201	V	91.4	Very high	91.1	Very high	6 Å²	6	9.9 Å²	9.9	4%	0.036	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-48.8	177.6	174	0	0	0	0	110.3	L154 L157 K158 T199 R203 L204 F205 G206 L229	L154-V201 HydrophobicContact CB-CG1 3.91Å; L154-V201 HydrophobicContact CD2-CG1 4.17Å; L154-V201 HydrophobicContact CD2-CG2 4.4Å; L154-V201 HydrophobicContact CG-CG1 4.43Å; L157-V201 HydrophobicContact CB-CG2 3.88Å; K158-V201 HydrophobicContact CB-CB 4.31Å; K158-V201 HydrophobicContact CB-CG2 4.34Å; T199-V201 PolarHBondContact O-N 3.33Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 2.94Å; V201-L204 PolarHBondContact O-N 2.81Å; V201-F205 PolarHBondContact O-N 3.48Å; V201-G206 PolarHBondContact O-N 3.16Å; V201-L229 HydrophobicContact CG1-CD1 3.83Å; V201-L229 HydrophobicContact CG1-CD2 3.92Å
202	D	91	Very high	91.4	Very high	12 Å²	12	9.4 Å²	9.4	6%	0.064	6%	0.059	C	C	.	.	H	α-helix	trans	-67	-31.5	178.1	-59.6	-64.3	0	0	0	112.4	K158 I197 T199 G206	K158-D202 VanDerWaalsContact CE-OD2 3.24Å; K158-D202 WeakPolarHBondContact CE-OD2 3.3Å; K158-D202 IonicContact NZ-OD1 3.89Å; K158-D202 PolarHBondContact NZ-OD1 2.83Å; K158-D202 IonicContact NZ-OD2 3.51Å; K158-D202 PolarHBondContact NZ-OD2 3.06Å; I197-D202 WeakPolarHBondContact CA-OD2 3.48Å; I197-D202 HydrophobicContact CB-CB 4.35Å; I197-D202 VanDerWaalsContact O-CB 3.23Å; I197-D202 WeakPolarHBondContact O-CB 3.22Å; T199-D202 WeakPolarHBondContact CB-OD2 3.43Å; T199-D202 PolarHBondContact N-OD2 2.65Å; T199-D202 PolarHBondContact O-N 2.96Å; T199-D202 VanDerWaalsContact OG1-CG 3.32Å; T199-D202 PolarHBondContact OG1-N 3.18Å; T199-D202 PolarHBondContact OG1-OD2 2.88Å; D202-G206 WeakPolarHBondContact O-CA 3.37Å; D202-G206 PolarHBondContact O-N 2.97Å
203	R	87.9	Confident	91.6	Very high	19 Å²	19	10.8 Å²	10.8	7%	0.072	6%	0.061	C	C	.	.	H	α-helix	trans	-72.7	-30.2	177.4	-72.7	-177.1	-71.6	166.4	-12.7	113.1	E161 A198 T199 I200 V201 P545 L639	E161-R203 IonicContact OE1-NH2 2.77Å; E161-R203 PolarHBondContact OE1-NH2 2.71Å; A198-R203 PolarHBondContact O-NE 2.97Å; T199-R203 WeakPolarHBondContact O-CB 3.04Å; T199-R203 VanDerWaalsContact O-CG 3.29Å; T199-R203 WeakPolarHBondContact O-CG 3.48Å; T199-R203 PolarHBondContact O-N 3.06Å; T199-R203 PolarHBondContact O-NE 2.81Å; I200-R203 PolarHBondContact O-N 2.93Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 2.94Å; R203-P545 WeakPolarHBondContact O-CD 3.35Å; R203-P545 WeakPolarHBondContact O-CG 3.5Å; R203-L639 HydrophobicContact CB-CD2 4.32Å; R203-L639 VanDerWaalsContact CD-O 3.26Å; R203-L639 WeakPolarHBondContact CD-O 3.46Å; R203-L639 PolarHBondContact NH1-O 2.98Å; R203-L639 WeakPolarHBondContact O-CD2 3.26Å
204	L	90.2	Very high	91.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-93.5	-53.6	-178.9	-74.3	176.2	0	0	0	113	W58 L59 L62 I200 V201 P545 I546 L639	W58-L204 HydrophobicContact CB-CD2 3.99Å; L59-L204 HydrophobicContact CB-CD1 4.25Å; L59-L204 HydrophobicContact CD1-CD1 3.73Å; L62-L204 HydrophobicContact CD1-CD1 3.93Å; L62-L204 HydrophobicContact CD1-CD2 3.62Å; L62-L204 HydrophobicContact CD1-CG 3.68Å; I200-L204 HydrophobicContact CG2-CD1 3.97Å; I200-L204 WeakPolarHBondContact O-CB 3.21Å; I200-L204 WeakPolarHBondContact O-CG 3.38Å; I200-L204 PolarHBondContact O-N 3.22Å; V201-L204 PolarHBondContact O-N 2.81Å; L204-P545 WeakPolarHBondContact O-CD 3.33Å; L204-I546 HydrophobicContact CB-CD1 4.39Å; L204-I546 HydrophobicContact CD2-CD1 4.32Å; L204-I546 PolarHBondContact O-N 3.25Å; L204-L639 HydrophobicContact CD2-CD1 4.34Å; L204-L639 HydrophobicContact CD2-CD2 4.12Å
205	F	93.4	Very high	92	Very high	1 Å²	1	10 Å²	10	0%	0.004	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-15.2	-174.1	-62.5	-86.5	0	0	0	112.3	L53 L59 L154 V201 G207 L229 P544 I546	L53-F205 HydrophobicContact CD2-CE1 4.21Å; L53-F205 HydrophobicContact CD2-CZ 3.87Å; L59-F205 HydrophobicContact CD1-CE2 4.45Å; L154-F205 HydrophobicContact CD1-CD2 4.45Å; L154-F205 HydrophobicContact CD1-CG 4.29Å; L154-F205 HydrophobicContact CD2-CD2 4.11Å; L154-F205 HydrophobicContact CD2-CE2 4.05Å; V201-F205 PolarHBondContact O-N 3.48Å; F205-G207 PolarHBondContact O-N 3.4Å; F205-L229 HydrophobicContact CB-CB 4.49Å; F205-L229 HydrophobicContact CB-CD2 4.31Å; F205-L229 WeakPolarHBondContact O-CA 3.43Å; F205-P544 WeakPolarHBondContact O-CB 3.49Å; F205-I546 HydrophobicContact CD1-CB 4Å; F205-I546 HydrophobicContact CD1-CG2 3.69Å; F205-I546 HydrophobicContact CE1-CB 4.06Å; F205-I546 HydrophobicContact CE1-CD1 4.35Å; F205-I546 HydrophobicContact CE1-CG2 3.44Å; F205-I546 VanDerWaalsContact CE1-CG2 3.44Å; F205-I546 HydrophobicContact CZ-CD1 4.18Å; F205-I546 HydrophobicContact CZ-CG2 4.29Å
206	G	92.4	Very high	92.1	Very high	19 Å²	19	12.1 Å²	12.1	20%	0.196	7%	0.073	C	C	.	.			trans	-75.5	119.6	-175.4	0	0	0	0	0	113.4	V201 D202 F228	V201-G206 PolarHBondContact O-N 3.16Å; D202-G206 WeakPolarHBondContact O-CA 3.37Å; D202-G206 PolarHBondContact O-N 2.97Å; G206-F228 CarbonylContact C-O 3.58Å; G206-F228 VanDerWaalsContact CA-O 3.31Å; G206-F228 WeakPolarHBondContact CA-O 3.29Å
207	G	92.9	Very high	92.2	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	175.2	164.8	0	0	0	0	0	111.3	F205 P227 F228 K542	F205-G207 PolarHBondContact O-N 3.4Å; G207-P227 VanDerWaalsContact O-CA 3.31Å; G207-P227 WeakPolarHBondContact O-CA 3.27Å; G207-F228 VanDerWaalsContact C-CD1 3.41Å; G207-F228 VanDerWaalsContact CA-CE1 3.49Å; G207-F228 PolarHBondContact N-O 2.78Å; G207-F228 WeakPolarHBondContact O-CD1 3.43Å; G207-F228 PolarHBondContact O-N 3.2Å; G207-K542 CarbonylContact C-O 3.42Å; G207-K542 WeakPolarHBondContact CA-O 3.37Å
208	I	94.5	Very high	92.4	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.041	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.2	173.8	-56	-178.6	0	0	0	109	I197 F225 Y541 K542 W645 L647	I197-I208 HydrophobicContact CD1-CD1 4.42Å; I208-F225 HydrophobicContact CG2-CB 3.96Å; I208-F225 HydrophobicContact CG2-CD1 3.91Å; I208-F225 HydrophobicContact CG2-CG 4.39Å; I208-Y541 HydrophobicContact CG2-CD1 4.33Å; I208-Y541 WeakPolarHBondContact O-CA 3.29Å; I208-Y541 WeakPolarHBondContact O-CB 3.23Å; I208-Y541 PolarHBondContact O-N 2.93Å; I208-K542 HydrophobicContact CB-CB 4.04Å; I208-K542 HydrophobicContact CB-CG 4.45Å; I208-K542 HydrophobicContact CD1-CD 3.92Å; I208-K542 HydrophobicContact CD1-CG 4.45Å; I208-K542 HydrophobicContact CG1-CB 4.26Å; I208-K542 PolarHBondContact N-O 3.36Å; I208-K542 PolarHBondContact O-N 2.86Å; I208-W645 HydrophobicContact CD1-CE3 4.19Å; I208-W645 HydrophobicContact CD1-CZ3 3.99Å; I208-W645 HydrophobicContact CG2-CZ3 4.49Å; I208-L647 HydrophobicContact CD1-CD1 3.67Å; I208-L647 HydrophobicContact CG2-CD1 4.26Å
209	L	95.7	Very high	92.5	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.037	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	150.4	167.4	-63.4	169	0	0	0	110.2	F225 E226 F228 L231 Y483 L539 I540	L209-F225 WeakPolarHBondContact O-CA 3.33Å; L209-E226 HydrophobicContact CB-CB 4.45Å; L209-E226 PolarHBondContact N-O 3.06Å; L209-E226 PolarHBondContact O-N 2.93Å; L209-F228 HydrophobicContact CD1-CD1 4.2Å; L209-F228 HydrophobicContact CD2-CD1 4.2Å; L209-F228 HydrophobicContact CD2-CE1 3.96Å; L209-F228 HydrophobicContact CG-CD1 3.63Å; L209-F228 HydrophobicContact CG-CE1 3.87Å; L209-F228 HydrophobicContact CG-CG 4.49Å; L209-L231 HydrophobicContact CD2-CD2 4.46Å; L209-Y483 HydrophobicContact CD1-CE1 4.43Å; L209-Y483 VanDerWaalsContact CD1-OH 3.31Å; L209-Y483 WeakPolarHBondContact CD1-OH 3.15Å; L209-Y483 HydrophobicContact CD2-CE1 4.36Å; L209-L539 CarbonylContact C-O 3.53Å; L209-L539 VanDerWaalsContact CA-O 3.29Å; L209-L539 WeakPolarHBondContact CA-O 3.45Å; L209-I540 HydrophobicContact CD2-CG1 3.92Å
210	V	95.5	Very high	92.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	108.1	159.8	60.2	0	0	0	0	108.2	T212 P223 F225 A456 L539	V210-T212 HydrophobicContact CG2-CG2 4.14Å; V210-P223 HydrophobicContact CG2-CB 4.19Å; V210-F225 HydrophobicContact CB-CD1 4.32Å; V210-F225 HydrophobicContact CB-CE1 4.25Å; V210-F225 HydrophobicContact CG2-CE1 4.29Å; V210-A456 HydrophobicContact CG2-CB 4.16Å; V210-L539 HydrophobicContact CG1-CB 4.05Å; V210-L539 PolarHBondContact N-O 3.02Å; V210-L539 PolarHBondContact O-N 2.53Å; V210-L539 VanDerWaalsContact O-N 3.07Å
211	S	95.1	Very high	92.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.8	-179.2	-48.5	0	0	0	0	107.9	P223 K224 E226 R537 D538	S211-P223 CarbonylContact O-C 3.43Å; S211-P223 WeakPolarHBondContact O-CA 3.29Å; S211-K224 PolarHBondContact N-O 2.93Å; S211-K224 PolarHBondContact O-N 3.5Å; S211-E226 PolarHBondContact OG-OE2 3.22Å; S211-R537 CarbonylContact C-O 3.45Å; S211-R537 WeakPolarHBondContact CA-O 3.39Å; S211-D538 WeakPolarHBondContact CA-OD1 3.36Å; S211-D538 WeakPolarHBondContact CB-OD1 3.23Å; S211-D538 PolarHBondContact OG-OD1 3.26Å
212	T	94.4	Very high	92.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.6	-176.7	68.2	0	0	0	0	111.1	V210 R222 P223 R457 K536 R537	V210-T212 HydrophobicContact CG2-CG2 4.14Å; T212-R222 WeakPolarHBondContact CA-O 3.32Å; T212-P223 HydrophobicContact CG2-CB 4.27Å; T212-R457 HydrophobicContact CG2-CG 3.97Å; T212-R457 PolarHBondContact OG1-NE 2.86Å; T212-R457 PolarHBondContact OG1-NH2 3.48Å; T212-K536 CarbonylContact O-C 3.54Å; T212-K536 WeakPolarHBondContact O-CA 3.38Å; T212-R537 PolarHBondContact N-O 3.41Å; T212-R537 PolarHBondContact O-N 3.12Å; T212-R537 PolarHBondContact OG1-O 3.44Å
213	I	94.3	Very high	93	Very high	51 Å²	51	26.7 Å²	26.7	26%	0.262	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.6	-179.5	-61.7	166.3	0	0	0	108.2	V221 R222 L495 T534 I535	I213-V221 CarbonylContact O-C 3.55Å; I213-V221 WeakPolarHBondContact O-CA 3.35Å; I213-R222 PolarHBondContact N-O 3.43Å; I213-R222 PolarHBondContact O-N 2.77Å; I213-L495 HydrophobicContact CD1-CD1 3.92Å; I213-L495 HydrophobicContact CG1-CD1 4.34Å; I213-L495 HydrophobicContact CG2-CD1 3.75Å; I213-T534 HydrophobicContact CG2-CG2 4.16Å; I213-I535 CarbonylContact C-O 3.57Å; I213-I535 WeakPolarHBondContact CA-O 3.4Å
214	Q	94.6	Very high	93.2	Very high	29 Å²	29	29.1 Å²	29.1	14%	0.136	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.2	174.7	169.1	178.5	-9.4	0	0	110.7	T220 V221 T534 I535	Q214-T220 WeakPolarHBondContact CA-O 3.31Å; Q214-V221 HydrophobicContact CB-CG2 4.15Å; Q214-V221 HydrophobicContact CG-CG2 4.23Å; Q214-T534 CarbonylContact O-C 3.56Å; Q214-T534 WeakPolarHBondContact O-CA 3.02Å; Q214-T534 WeakPolarHBondContact O-CB 3.24Å; Q214-I535 HydrophobicContact CB-CB 4.44Å; Q214-I535 PolarHBondContact N-O 3.11Å; Q214-I535 PolarHBondContact O-N 3.11Å
215	C	94	Very high	93.4	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.034	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.5	170.3	-179.4	0	0	0	0	110.6	C217 C218 G219 T220 C497	C215-C217 VanDerWaalsContact C-N 3.28Å; C215-C217 PolarHBondContact O-N 3.36Å; C215-C217 PolarHBondContact SG-N 3.24Å; C215-C217 VanDerWaalsContact SG-N 3.38Å; C215-C218 VanDerWaalsContact CB-SG 3.57Å; C215-C218 VanDerWaalsContact SG-SG 3.61Å; C215-G219 WeakPolarHBondContact O-CA 3.37Å; C215-G219 PolarHBondContact O-N 3.02Å; C215-T220 PolarHBondContact N-O 2.95Å; C215-C497 HydrophobicContact CB-CB 4.41Å
216	C	93.1	Very high	93.4	Very high	46 Å²	46	32.3 Å²	32.3	31%	0.311	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-23.2	175.9	-67.1	0	0	0	0	112.9	D533	C216-D533 HydrophobicContact CB-CB 4.26Å; C216-D533 VanDerWaalsContact CB-O 3.26Å; C216-D533 WeakPolarHBondContact CB-O 3.49Å; C216-D533 PolarHBondContact N-O 2.95Å; C216-D533 PolarHBondContact SG-O 3.33Å; C216-D533 VanDerWaalsContact SG-O 3.4Å
217	C	92.1	Very high	93.5	Very high	84 Å²	84	34.4 Å²	34.4	57%	0.568	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-54.9	-179.4	-175.2	0	0	0	0	112.5	C215 Q532	C215-C217 VanDerWaalsContact C-N 3.28Å; C215-C217 PolarHBondContact O-N 3.36Å; C215-C217 PolarHBondContact SG-N 3.24Å; C215-C217 VanDerWaalsContact SG-N 3.38Å; C217-Q532 HydrophobicContact CB-CG 4.21Å
218	C	92.2	Very high	93.6	Very high	50 Å²	50	35.3 Å²	35.3	34%	0.338	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-6.8	-175.1	67.8	0	0	0	0	114.1	C215 T220 V499	C215-C218 VanDerWaalsContact CB-SG 3.57Å; C215-C218 VanDerWaalsContact SG-SG 3.61Å; C218-T220 PolarHBondContact O-N 3.44Å; C218-T220 VanDerWaalsContact O-N 3.14Å; C218-T220 PolarHBondContact SG-OG1 2.93Å; C218-V499 HydrophobicContact CB-CG1 4.35Å
219	G	91.3	Very high	93.7	Very high	35 Å²	35	35.7 Å²	35.7	36%	0.361	20%	0.204	S	C	.	.			trans	73.3	-4.3	-178.7	0	0	0	0	0	115.3	C215 V221	C215-G219 WeakPolarHBondContact O-CA 3.37Å; C215-G219 PolarHBondContact O-N 3.02Å; G219-V221 WeakPolarHBondContact O-CG2 3.42Å; G219-V221 PolarHBondContact O-N 2.78Å
220	T	91.4	Very high	93.7	Very high	48 Å²	48	36.1 Å²	36.1	29%	0.294	21%	0.206	S	C	.	.			trans	-58.2	130.8	179.4	-55.6	0	0	0	0	110.9	Q214 C215 C218 V499	Q214-T220 WeakPolarHBondContact CA-O 3.31Å; C215-T220 PolarHBondContact N-O 2.95Å; C218-T220 PolarHBondContact O-N 3.44Å; C218-T220 VanDerWaalsContact O-N 3.14Å; C218-T220 PolarHBondContact SG-OG1 2.93Å; T220-V499 HydrophobicContact CG2-CG2 4.07Å
221	V	92.5	Very high	93.8	Very high	35 Å²	35	36.1 Å²	36.1	21%	0.212	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.2	-179.5	-173.8	0	0	0	0	109.9	I213 Q214 G219 I453	I213-V221 CarbonylContact O-C 3.55Å; I213-V221 WeakPolarHBondContact O-CA 3.35Å; Q214-V221 HydrophobicContact CB-CG2 4.15Å; Q214-V221 HydrophobicContact CG-CG2 4.23Å; G219-V221 WeakPolarHBondContact O-CG2 3.42Å; G219-V221 PolarHBondContact O-N 2.78Å; V221-I453 HydrophobicContact CB-CG2 3.75Å; V221-I453 HydrophobicContact CG1-CG2 3.47Å; V221-I453 VanDerWaalsContact CG1-CG2 3.47Å
222	R	91.9	Very high	93.9	Very high	94 Å²	94	37.1 Å²	37.1	36%	0.355	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117	175.5	-65.1	-172.9	175.7	-173.7	-3.5	110.4	T212 I213 D498	T212-R222 WeakPolarHBondContact CA-O 3.32Å; I213-R222 PolarHBondContact N-O 3.43Å; I213-R222 PolarHBondContact O-N 2.77Å; R222-D498 IonicContact CZ-OD2 2.74Å; R222-D498 IonicContact NH1-OD1 3.45Å; R222-D498 IonicContact NH1-OD2 3.24Å; R222-D498 PolarHBondContact NH1-OD2 3Å; R222-D498 IonicContact NH2-OD2 2.72Å; R222-D498 PolarHBondContact NH2-OD2 2.77Å
223	P	93.1	Very high	93.9	Very high	25 Å²	25	37 Å²	37	16%	0.162	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.6	169.4	34.6	-35.5	0	0	0	110.8	V210 S211 T212 I453 V649 L652	V210-P223 HydrophobicContact CG2-CB 4.19Å; S211-P223 CarbonylContact O-C 3.43Å; S211-P223 WeakPolarHBondContact O-CA 3.29Å; T212-P223 HydrophobicContact CG2-CB 4.27Å; P223-I453 HydrophobicContact CG-CG1 4.07Å; P223-V649 HydrophobicContact CG-CG1 4.37Å; P223-V649 HydrophobicContact CG-CG2 3.95Å; P223-L652 HydrophobicContact CB-CD1 3.89Å; P223-L652 HydrophobicContact CG-CD1 3.87Å
224	K	92.9	Very high	93.9	Very high	69 Å²	69	37.4 Å²	37.4	30%	0.3	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.5	172.7	-175.8	-178.4	174.4	-152.3	0	108.7	S211 E226	S211-K224 PolarHBondContact N-O 2.93Å; S211-K224 PolarHBondContact O-N 3.5Å; K224-E226 HydrophobicContact CD-CG 4.2Å; K224-E226 WeakPolarHBondContact CD-OE1 3.36Å; K224-E226 VanDerWaalsContact CE-OE1 3.3Å; K224-E226 WeakPolarHBondContact CE-OE1 3.4Å; K224-E226 HydrophobicContact CG-CG 4.12Å; K224-E226 IonicContact NZ-OE1 3.18Å; K224-E226 PolarHBondContact NZ-OE1 3.11Å
225	F	94.2	Very high	93.5	Very high	21 Å²	21	36.2 Å²	36.2	9%	0.092	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.5	174.4	-65.9	-76.8	0	0	0	110.4	I208 L209 V210 Y541 W645 L647 S648 L652	I208-F225 HydrophobicContact CG2-CB 3.96Å; I208-F225 HydrophobicContact CG2-CD1 3.91Å; I208-F225 HydrophobicContact CG2-CG 4.39Å; L209-F225 WeakPolarHBondContact O-CA 3.33Å; V210-F225 HydrophobicContact CB-CD1 4.32Å; V210-F225 HydrophobicContact CB-CE1 4.25Å; V210-F225 HydrophobicContact CG2-CE1 4.29Å; F225-Y541 AromaticContact CD1-CD1 3.94Å; F225-Y541 HydrophobicContact CD1-CD1 3.94Å; F225-Y541 HydrophobicContact CD1-CE1 4.39Å; F225-Y541 HydrophobicContact CD1-CG 4.28Å; F225-Y541 AromaticContact CE1-CD1 3.55Å; F225-Y541 HydrophobicContact CE1-CD1 3.55Å; F225-Y541 HydrophobicContact CE1-CD2 4.12Å; F225-Y541 AromaticContact CE1-CE1 3.7Å; F225-Y541 HydrophobicContact CE1-CE1 3.7Å; F225-Y541 HydrophobicContact CE1-CE2 4.24Å; F225-Y541 AromaticContact CE1-CG 3.78Å; F225-Y541 HydrophobicContact CE1-CG 3.78Å; F225-Y541 HydrophobicContact CZ-CE1 4.35Å; F225-W645 HydrophobicContact CB-CH2 4.11Å; F225-W645 HydrophobicContact CB-CZ3 4.07Å; F225-L647 HydrophobicContact CB-CB 4.27Å; F225-L647 HydrophobicContact CD1-CB 4.34Å; F225-L647 HydrophobicContact CD1-CD1 3.96Å; F225-L647 HydrophobicContact CD2-CB 3.44Å; F225-L647 VanDerWaalsContact CD2-CB 3.44Å; F225-L647 HydrophobicContact CE1-CD1 4.18Å; F225-L647 HydrophobicContact CE2-CB 3.69Å; F225-L647 HydrophobicContact CG-CB 3.77Å; F225-L647 HydrophobicContact CG-CD1 4.11Å; F225-L647 HydrophobicContact CZ-CB 4.21Å; F225-S648 WeakPolarHBondContact CE2-O 3.26Å; F225-L652 HydrophobicContact CE1-CD2 3.99Å; F225-L652 HydrophobicContact CE2-CG 4.35Å; F225-L652 HydrophobicContact CZ-CD1 4.33Å; F225-L652 HydrophobicContact CZ-CD2 3.53Å; F225-L652 HydrophobicContact CZ-CG 3.69Å
226	E	93.5	Very high	92.3	Very high	47 Å²	47	39.1 Å²	39.1	22%	0.22	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.6	-175.1	-62.4	-172.7	148.7	0	0	110	L209 S211 K224	L209-E226 HydrophobicContact CB-CB 4.45Å; L209-E226 PolarHBondContact N-O 3.06Å; L209-E226 PolarHBondContact O-N 2.93Å; S211-E226 PolarHBondContact OG-OE2 3.22Å; K224-E226 HydrophobicContact CD-CG 4.2Å; K224-E226 WeakPolarHBondContact CD-OE1 3.36Å; K224-E226 VanDerWaalsContact CE-OE1 3.3Å; K224-E226 WeakPolarHBondContact CE-OE1 3.4Å; K224-E226 HydrophobicContact CG-CG 4.12Å; K224-E226 IonicContact NZ-OE1 3.18Å; K224-E226 PolarHBondContact NZ-OE1 3.11Å
227	P	94.4	Very high	90.6	Very high	63 Å²	63	42.4 Å²	42.4	41%	0.409	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.3	175.7	30.1	-32.3	0	0	0	110.2	I197 G207 W645	I197-P227 HydrophobicContact CG2-CB 4.11Å; I197-P227 HydrophobicContact CG2-CG 4.32Å; G207-P227 VanDerWaalsContact O-CA 3.31Å; G207-P227 WeakPolarHBondContact O-CA 3.27Å; P227-W645 HydrophobicContact CG-CH2 4.35Å; P227-W645 HydrophobicContact CG-CZ2 4.24Å
228	F	95.4	Very high	88.4	Confident	20 Å²	20	43.8 Å²	43.8	9%	0.088	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.5	176.1	70.6	-87.4	0	0	0	110.7	G206 G207 L209 L231 P544 L547	G206-F228 CarbonylContact C-O 3.58Å; G206-F228 VanDerWaalsContact CA-O 3.31Å; G206-F228 WeakPolarHBondContact CA-O 3.29Å; G207-F228 VanDerWaalsContact C-CD1 3.41Å; G207-F228 VanDerWaalsContact CA-CE1 3.49Å; G207-F228 PolarHBondContact N-O 2.78Å; G207-F228 WeakPolarHBondContact O-CD1 3.43Å; G207-F228 PolarHBondContact O-N 3.2Å; L209-F228 HydrophobicContact CD1-CD1 4.2Å; L209-F228 HydrophobicContact CD2-CD1 4.2Å; L209-F228 HydrophobicContact CD2-CE1 3.96Å; L209-F228 HydrophobicContact CG-CD1 3.63Å; L209-F228 HydrophobicContact CG-CE1 3.87Å; L209-F228 HydrophobicContact CG-CG 4.49Å; F228-L231 HydrophobicContact CD2-CD2 3.66Å; F228-L231 HydrophobicContact CD2-CG 4.11Å; F228-L231 HydrophobicContact CE1-CD2 4.47Å; F228-L231 HydrophobicContact CE2-CD1 4.42Å; F228-L231 HydrophobicContact CE2-CD2 3.62Å; F228-L231 HydrophobicContact CE2-CG 3.79Å; F228-L231 HydrophobicContact CG-CD2 4.12Å; F228-L231 HydrophobicContact CZ-CD2 4.03Å; F228-L231 HydrophobicContact CZ-CG 4.41Å; F228-P544 HydrophobicContact CE2-CG 4.16Å; F228-P544 HydrophobicContact CZ-CG 4.34Å; F228-L547 HydrophobicContact CE2-CD1 4.29Å
229	L	95.5	Very high	85.5	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.089	26%	0.262	C	S	.	.	S	Bend	trans	-105.2	-19	173.8	-60.2	-178.8	0	0	0	112.6	L154 V201 F205	L154-L229 HydrophobicContact CB-CD1 4.25Å; V201-L229 HydrophobicContact CG1-CD1 3.83Å; V201-L229 HydrophobicContact CG1-CD2 3.92Å; F205-L229 HydrophobicContact CB-CB 4.49Å; F205-L229 HydrophobicContact CB-CD2 4.31Å; F205-L229 WeakPolarHBondContact O-CA 3.43Å
230	D	97	Very high	82.8	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.08	29%	0.286	C	S	.	.			trans	-154.6	157.5	179.9	64.3	-70.5	0	0	0	110.1	H147 R151 S232 T548	H147-D230 IonicContact CD2-OD2 3.53Å; H147-D230 IonicContact CE1-OD2 3.51Å; H147-D230 PolarHBondContact CE1-OD2 3.5Å; H147-D230 IonicContact NE2-OD2 3.74Å; H147-D230 PolarHBondContact NE2-OD2 3.19Å; R151-D230 IonicContact CZ-OD1 2.88Å; R151-D230 VanDerWaalsContact CZ-OD1 3.27Å; R151-D230 IonicContact NH1-OD1 3.51Å; R151-D230 PolarHBondContact NH1-OD1 3.14Å; R151-D230 IonicContact NH1-OD2 3.03Å; R151-D230 PolarHBondContact NH1-OD2 3.07Å; R151-D230 IonicContact NH2-OD1 3.36Å; D230-S232 PolarHBondContact OD2-OG 3.21Å; D230-T548 CarbonylContact C-O 3.59Å; D230-T548 VanDerWaalsContact CA-O 3.24Å; D230-T548 WeakPolarHBondContact CA-O 3.49Å; D230-T548 HydrophobicContact CB-CG2 4.05Å; D230-T548 WeakPolarHBondContact CB-O 3.16Å
231	L	97.1	Very high	80	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.8	172	-61.5	179.7	0	0	0	109.4	L209 F228 L233 L480 Y483 I540 L547 T548 I549 H550	L209-L231 HydrophobicContact CD2-CD2 4.46Å; F228-L231 HydrophobicContact CD2-CD2 3.66Å; F228-L231 HydrophobicContact CD2-CG 4.11Å; F228-L231 HydrophobicContact CE1-CD2 4.47Å; F228-L231 HydrophobicContact CE2-CD1 4.42Å; F228-L231 HydrophobicContact CE2-CD2 3.62Å; F228-L231 HydrophobicContact CE2-CG 3.79Å; F228-L231 HydrophobicContact CG-CD2 4.12Å; F228-L231 HydrophobicContact CZ-CD2 4.03Å; F228-L231 HydrophobicContact CZ-CG 4.41Å; L231-L233 HydrophobicContact CB-CD2 4.18Å; L231-L480 HydrophobicContact CD1-CD2 4.21Å; L231-Y483 HydrophobicContact CD2-CE1 4.05Å; L231-I540 HydrophobicContact CD1-CD1 4.05Å; L231-L547 HydrophobicContact CD1-CD1 3.95Å; L231-L547 HydrophobicContact CG-CD1 4.21Å; L231-T548 PolarHBondContact N-O 3.37Å; L231-I549 CarbonylContact O-C 3.58Å; L231-I549 WeakPolarHBondContact O-CA 3.19Å; L231-H550 PolarHBondContact O-N 3.25Å
232	S	96.7	Very high	77	Confident	23 Å²	23	62.9 Å²	62.9	16%	0.161	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	101.4	177.8	-72.2	0	0	0	0	110.7	H147 D230 H550 K552	H147-S232 PolarHBondContact CE1-OG 2.97Å; D230-S232 PolarHBondContact OD2-OG 3.21Å; S232-H550 CarbonylContact C-O 3.55Å; S232-H550 WeakPolarHBondContact CA-O 3.37Å; S232-H550 PolarHBondContact OG-ND1 2.79Å; S232-K552 VanDerWaalsContact CB-CE 3.5Å; S232-K552 VanDerWaalsContact O-CE 3.28Å; S232-K552 WeakPolarHBondContact O-CE 2.88Å
233	L	95.9	Very high	74.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.4	-172.1	-50	-178.4	0	0	0	112.4	L231 I476 C479 L480 Y483 I549 H550 L551 K552	L231-L233 HydrophobicContact CB-CD2 4.18Å; L233-I476 HydrophobicContact CD1-CD1 3.8Å; L233-I476 HydrophobicContact CD1-CG1 4.47Å; L233-C479 HydrophobicContact CB-CB 4.06Å; L233-C479 HydrophobicContact CD1-CB 3.83Å; L233-L480 HydrophobicContact CD1-CD2 3.89Å; L233-L480 HydrophobicContact CD1-CG 3.93Å; L233-L480 HydrophobicContact CD2-CD2 4.07Å; L233-Y483 HydrophobicContact CD2-CD2 3.73Å; L233-Y483 HydrophobicContact CD2-CG 3.74Å; L233-I549 HydrophobicContact CD1-CG2 3.4Å; L233-I549 HydrophobicContact CG-CG2 3.73Å; L233-H550 PolarHBondContact N-O 3.46Å; L233-L551 HydrophobicContact CB-CD2 4.26Å; L233-K552 WeakPolarHBondContact O-CB 3.32Å; L233-K552 PolarHBondContact O-N 3.46Å
234	S	92.5	Very high	71.1	Confident	58 Å²	58	74.9 Å²	74.9	41%	0.406	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.7	177.1	-61.9	0	0	0	0	111.7
235	V	86.6	Confident	68.3	Low	5 Å²	5	78.6 Å²	78.6	3%	0.03	42%	0.42	C	S	.	.			trans	-95.3	-5.8	179.6	-174.9	0	0	0	0	112	L551 R553 K566 I568	V235-L551 HydrophobicContact CG2-CB 3.8Å; V235-L551 HydrophobicContact CG2-CD2 4.36Å; V235-R553 HydrophobicContact CG2-CG 4.35Å; V235-K566 HydrophobicContact CG1-CB 4.05Å; V235-K566 HydrophobicContact CG1-CD 4.39Å; V235-I568 HydrophobicContact CG1-CD1 3.91Å; V235-I568 HydrophobicContact CG1-CG1 4.01Å
236	S	69.9	Low	65.3	Low	66 Å²	66	84.4 Å²	84.4	46%	0.462	45%	0.452	S	S	.	.			trans	-65.5	148.4	-170.2	51.6	0	0	0	0	114
237	E	57.5	Low	62.3	Low	115 Å²	115	91.4 Å²	91.4	54%	0.537	49%	0.485	S	S	.	.			trans	-80.9	130	172.4	-68.5	175.6	-174	0	0	109.7	N239 K566	E237-N239 PolarHBondContact O-N 2.93Å; E237-K566 HydrophobicContact CG-CD 4.28Å
238	T	44.4	Very low	59.3	Low	113 Å²	113	93.5 Å²	93.5	69%	0.693	50%	0.501	S	S	*	.	S	Bend	trans	-66.9	81.2	168.1	44.7	0	0	0	0	109.2
239	N	32.1	Very low	56.3	Low	101 Å²	101	99.3 Å²	99.3	54%	0.54	54%	0.538	S	S	.	.			trans	-141.8	9	173.4	-86.5	-35.4	0	0	0	114.7	E237	E237-N239 PolarHBondContact O-N 2.93Å
240	V	33.9	Very low	53.2	Low	144 Å²	144	103.3 Å²	103.3	87%	0.873	57%	0.567	S	S	*	*	S	Bend	trans	-89.2	-3.5	-175.3	-172.2	0	0	0	0	114.5
241	S	32.6	Very low	50.2	Low	119 Å²	119	112.1 Å²	112.1	83%	0.832	61%	0.605	S	S	*	*	S	Bend	trans	-123.6	16.7	-176.1	38.3	0	0	0	0	116.8
242	K	31	Very low	47.1	Very low	204 Å²	204	121.2 Å²	121.2	89%	0.887	65%	0.647	S	S	*	*	S	Bend	trans	-127.1	7.3	174.7	-74.3	-172.4	178.5	177.7	0	116.8
243	R	29.5	Very low	44.1	Very low	205 Å²	205	129.3 Å²	129.3	77%	0.774	68%	0.682	S	S	*	*	S	Bend	trans	-128.8	88.5	174.8	-69.3	180	-179.8	153.6	0.5	109.3
244	N	29.6	Very low	41.2	Very low	166 Å²	166	134.3 Å²	134.3	89%	0.888	72%	0.717	S	S	*	*	S	Bend	trans	171.5	21.8	154	-86.2	-11.6	0	0	0	114.8
245	I	35.4	Very low	38.5	Very low	148 Å²	148	141.2 Å²	141.2	76%	0.759	74%	0.74	S	S	*	*	S	Bend	trans	-114.8	-4.7	178.4	-66.6	177.6	0	0	0	114.2
246	N	30.2	Very low	35.9	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	78%	0.775	S	S	*	*	S	Bend	trans	-109	17.1	-172	-73.8	-5.1	0	0	0	116.8
247	E	31.9	Very low	34.2	Very low	194 Å²	194	146 Å²	146	91%	0.907	79%	0.791	S	S	*	*	S	Bend	trans	-122.1	12.7	-177.8	-114.6	177.5	174.1	0	0	116.4
248	S	31.5	Very low	33.1	Very low	106 Å²	106	146 Å²	146	74%	0.741	80%	0.804	S	S	*	*	S	Bend	trans	-130.5	32.4	177.9	56.7	0	0	0	0	114.3
249	V	32.7	Very low	32.8	Very low	143 Å²	143	145.4 Å²	145.4	87%	0.867	80%	0.804	S	S	*	*			trans	-142.1	68.5	167.4	-169.1	0	0	0	0	110.1
250	S	30.4	Very low	32.9	Very low	101 Å²	101	145 Å²	145	71%	0.706	81%	0.81	S	S	*	*			trans	-159.6	84.5	165.1	49.1	0	0	0	0	110.7
251	K	33.1	Very low	33.1	Very low	200 Å²	200	147 Å²	147	87%	0.87	81%	0.807	S	S	*	*	S	Bend	trans	166.3	116.1	148.3	-92.8	155.9	-171.3	175.8	0	108.3
252	Q	32.9	Very low	33.4	Very low	192 Å²	192	149.8 Å²	149.8	90%	0.897	81%	0.806	S	S	*	*			trans	133.8	74.6	150.5	-69.9	178	14.5	0	0	112.9
253	H	32.7	Very low	33.6	Very low	192 Å²	192	146.6 Å²	146.6	89%	0.889	80%	0.798	S	S	*	*			trans	-126	111.6	144.8	-99.2	-68.9	0	0	0	107.3
254	S	34.9	Very low	34	Very low	106 Å²	106	147.4 Å²	147.4	74%	0.741	80%	0.801	S	S	*	*			trans	158.7	142.4	135.4	55.5	0	0	0	0	111.2
255	K	35.9	Very low	34.4	Very low	203 Å²	203	147.7 Å²	147.7	88%	0.883	80%	0.795	S	S	*	*			trans	92.2	91.5	164.2	-52.5	-175.3	-177.4	179.3	0	116.8
256	G	31.9	Very low	34.5	Very low	75 Å²	75	153.1 Å²	153.1	77%	0.773	81%	0.805	S	S	*	*				86.5	104.2	95.6	0	0	0	0	0	117.7
257	A	34.5	Very low	34.7	Very low	95 Å²	95	154.3 Å²	154.3	79%	0.785	80%	0.804	S	S	*	*			trans	70.4	119.8	137.5	0	0	0	0	0	121.2
258	S	35	Very low	35	Very low	116 Å²	116	157.1 Å²	157.1	81%	0.811	81%	0.806	S	S	*	*				94.4	127.5	128.6	68.6	0	0	0	0	120.9
259	S	36.2	Very low	35.2	Very low	100 Å²	100	160.8 Å²	160.8	70%	0.699	81%	0.809	S	S	*	*			trans	80.2	91.2	141.5	177.2	0	0	0	0	120.3
260	S	36.1	Very low	35.5	Very low	94 Å²	94	165.4 Å²	165.4	66%	0.657	81%	0.811	S	S	*	*				59.7	128.1	113.2	84.2	0	0	0	0	122.7
261	K	38	Very low	35.8	Very low	186 Å²	186	170.1 Å²	170.1	81%	0.809	82%	0.819	S	S	*	*			trans	94.8	132.7	135.9	-80.9	172	-177.2	172.5	0	121.5
262	Q	38.3	Very low	35.9	Very low	177 Å²	177	165.2 Å²	165.2	83%	0.827	82%	0.815	S	S	*	*			trans	87.1	112.1	153.1	-68.7	173.7	7.8	0	0	117.7
263	L	36	Very low	36.1	Very low	137 Å²	137	162.2 Å²	162.2	72%	0.717	81%	0.812	S	S	*	*				85.9	114.2	51.4	-168.3	87.4	0	0	0	113.7
264	R	37.6	Very low	36.2	Very low	222 Å²	222	162.6 Å²	162.6	84%	0.838	81%	0.811	S	S	*	*				160	106.4	128.4	-88.3	171.4	172.4	-161	-2.5	110.8
265	K	37.5	Very low	36.4	Very low	172 Å²	172	166.2 Å²	166.2	75%	0.748	82%	0.816	S	S	*	*				66.3	116.6	89.9	-84.1	-175.9	-179.5	171.7	0	115.7
266	R	37.2	Very low	36.4	Very low	261 Å²	261	166.4 Å²	166.4	99%	0.985	81%	0.812	S	S	*	*				-156.3	132.1	126.3	-108.5	170.2	169.3	173.8	-3	112
267	K	34.2	Very low	36.5	Very low	168 Å²	168	170.9 Å²	170.9	73%	0.73	81%	0.81	S	S	*	*			trans	-111	155.5	-171.9	-75	177.7	170.4	177.6	0	110.5
268	R	38.2	Very low	36.4	Very low	253 Å²	253	176.8 Å²	176.8	96%	0.955	81%	0.812	S	S	*	*			trans	-174.9	104.1	142.7	-97.5	162.5	-176.7	-163.5	0.5	106.4
269	K	36	Very low	36.3	Very low	183 Å²	183	178.9 Å²	178.9	80%	0.796	81%	0.809	S	S	*	*				67	107.9	55	-94.3	-160.3	179.8	-172.2	0	116.2
270	R	38.4	Very low	36	Very low	241 Å²	241	181.1 Å²	181.1	91%	0.909	81%	0.813	S	S	*	*			trans	167.5	146.3	135.3	-92.7	167.3	-179.5	-159.5	-1.1	108.8
271	K	38	Very low	35.8	Very low	200 Å²	200	186.2 Å²	186.2	87%	0.87	82%	0.823	S	S	*	*			cis	-173.1	135.3	-26.4	-117.2	-177	177.5	-172.3	0	103.8
272	A	33.9	Very low	35.3	Very low	96 Å²	96	184.1 Å²	184.1	79%	0.793	82%	0.82	S	S	*	*			trans	-78.2	171.7	176.1	0	0	0	0	0	112.5
273	P	38.3	Very low	34.8	Very low	129 Å²	129	183 Å²	183	84%	0.838	81%	0.814	S	S	*	*				-151.2	173.3	90.3	37.4	-17.3	0	0	0	117.6
274	K	34.7	Very low	34.5	Very low	200 Å²	200	182.2 Å²	182.2	87%	0.87	81%	0.811	S	S	*	*			trans	-63.1	150.1	-179.6	-59.5	164	172.1	176.5	0	114.9
275	Q	39.2	Very low	34.1	Very low	182 Å²	182	182.8 Å²	182.8	85%	0.85	81%	0.814	S	S	*	*				169	125.1	112.9	-92.4	-176.8	14.2	0	0	114.4
276	R	34.5	Very low	33.6	Very low	207 Å²	207	183 Å²	183	78%	0.781	82%	0.818	S	S	*	*			trans	53.5	125.5	134.8	-78.4	-179	145.9	177.3	-5.4	123.5
277	K	35.7	Very low	33.3	Very low	169 Å²	169	175 Å²	175	74%	0.735	80%	0.803	S	S	*	*			trans	89.1	104.7	130.6	-78.5	-176.6	175.3	-175.2	0	120
278	R	30.9	Very low	33.2	Very low	220 Å²	220	173.5 Å²	173.5	83%	0.83	80%	0.802	S	S	*	*				70.7	128.9	124.6	-88.8	-172.9	162.3	-171.2	-5.3	121.3
279	Q	34.1	Very low	33	Very low	160 Å²	160	170.5 Å²	170.5	75%	0.748	80%	0.799	S	S	*	*			trans	96.8	110.3	146.2	-75.8	172.7	-18.4	0	0	118.7
280	N	28.6	Very low	32.7	Very low	146 Å²	146	165.7 Å²	165.7	78%	0.781	80%	0.801	S	S	*	*			trans	34.3	120.6	145.3	-59.3	1.1	0	0	0	118.4
281	F	32	Very low	32.4	Very low	201 Å²	201	160.5 Å²	160.5	88%	0.882	80%	0.8	S	S	*	*				-174.4	156.2	122.4	-114.7	-91	0	0	0	110.2
282	I	27.5	Very low	31.9	Very low	142 Å²	142	157.1 Å²	157.1	73%	0.728	79%	0.791	S	S	*	*			trans	-59.6	161.1	-178.9	-65.8	154.5	0	0	0	112.6
283	H	29.2	Very low	32	Very low	155 Å²	155	159.5 Å²	159.5	72%	0.718	79%	0.791	S	S	*	*			trans	121.9	129.4	147.9	-129.7	-98.7	0	0	0	117
284	D	29.6	Very low	31.6	Very low	120 Å²	120	161.3 Å²	161.3	64%	0.642	79%	0.788	S	S	*	*			trans	64.1	125.1	158.8	-65.9	-20.5	0	0	0	123.7
285	Y	28.6	Very low	31.5	Very low	233 Å²	233	158 Å²	158	91%	0.914	79%	0.788	S	S	*	*			trans	-131.5	100.1	139.9	-111.4	-92.9	0	0	0	109.6
286	Q	27.7	Very low	31.1	Very low	177 Å²	177	154.7 Å²	154.7	83%	0.827	79%	0.785	S	S	*	*			trans	-121.1	159.3	151.7	-103.4	-178.2	-11.4	0	0	107.1
287	S	29.2	Very low	31.2	Very low	94 Å²	94	150 Å²	150	66%	0.657	78%	0.784	S	S	*	*			trans	87	132	-174.7	80	0	0	0	0	113
288	D	32.6	Very low	31.1	Very low	135 Å²	135	149.3 Å²	149.3	72%	0.722	79%	0.789	S	S	*	*			cis	-170	143.5	29.9	-108.1	-23.5	0	0	0	109.7
289	Q	34.2	Very low	31.4	Very low	191 Å²	191	144.1 Å²	144.1	89%	0.893	79%	0.786	S	S	*	*				156.8	116.4	126.5	-91.5	144.8	25.5	0	0	113
290	G	29.8	Very low	31.3	Very low	81 Å²	81	144 Å²	144	84%	0.835	79%	0.79	S	S	*	*			trans	-94.2	177.5	177	0	0	0	0	0	115.2
291	C	31.3	Very low	31.6	Very low	132 Å²	132	141.5 Å²	141.5	89%	0.892	79%	0.785	S	S	*	*			trans	-159.2	141	152.8	-162.8	0	0	0	0	110.1
292	L	29.1	Very low	31.8	Very low	130 Å²	130	140.5 Å²	140.5	68%	0.681	78%	0.783	S	S	*	*			trans	-66.5	157.6	-177	-83.4	94.9	0	0	0	115.2
293	D	35	Very low	31.8	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	79%	0.788	S	S	*	*				169.7	103	116.5	-82.5	-20.4	0	0	0	110.1
294	Q	31.2	Very low	31.9	Very low	166 Å²	166	142.2 Å²	142.2	78%	0.776	79%	0.794	S	S	*	*				63.7	110.3	100	-72	-165.8	7.6	0	0	117.9
295	C	31.8	Very low	32	Very low	130 Å²	130	145 Å²	145	88%	0.878	80%	0.801	S	S	*	*			trans	172	100.5	141.2	-86.5	0	0	0	0	106.9
296	S	30.3	Very low	32.2	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	79%	0.79	S	S	*	*				74.6	97.7	66.7	-60.2	0	0	0	0	115.3
297	S	37	Very low	32.4	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	79%	0.786	S	S	*	*			trans	160.9	97.5	141.2	56.1	0	0	0	0	108.5
298	D	33.2	Very low	32.3	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	79%	0.787	S	S	*	*				90.1	117.7	76.2	-78.1	-19.4	0	0	0	113.7
299	S	36.7	Very low	32.3	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	79%	0.789	S	S	*	*			trans	122.8	94.1	151.2	58.4	0	0	0	0	114.3
300	D	33	Very low	32.1	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	78%	0.781	S	S	*	*				70.5	121.7	87.8	-78.5	-29.1	0	0	0	111.4
301	S	34.7	Very low	32.1	Very low	94 Å²	94	142.6 Å²	142.6	66%	0.657	78%	0.78	S	S	*	*			cis	178.2	155.2	35.8	40.2	0	0	0	0	111.9
302	Q	35.4	Very low	32	Very low	180 Å²	180	143.3 Å²	143.3	84%	0.841	78%	0.775	S	S	*	*			trans	68.2	101.9	151.7	-66.7	168.5	25.9	0	0	119.4
303	K	28	Very low	32.1	Very low	192 Å²	192	143.2 Å²	143.2	84%	0.835	78%	0.775	S	S	*	*				58.9	103.2	65.7	-73.5	-176.7	176	168.6	0	116.3
304	T	32.5	Very low	31.7	Very low	140 Å²	140	140.7 Å²	140.7	86%	0.859	77%	0.769	S	S	*	*			trans	-159.5	99.2	131.1	46.8	0	0	0	0	107.8
305	K	31.6	Very low	31.6	Very low	179 Å²	179	142.2 Å²	142.2	78%	0.778	77%	0.773	S	S	*	*				64.7	109.8	83	-78.3	-163.7	174.8	-178.2	0	116.5
306	H	31.5	Very low	31.5	Very low	147 Å²	147	142.3 Å²	142.3	68%	0.681	76%	0.763	S	S	*	*			trans	66.8	113.7	131	-84	-75.6	0	0	0	121.3
307	N	32	Very low	31.3	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	76%	0.763	S	S	*	*				173.5	111.9	103.4	-86.9	-24.9	0	0	0	108.7
308	N	28	Very low	30.8	Very low	125 Å²	125	145.6 Å²	145.6	67%	0.668	77%	0.767	S	S	*	*				74.8	132.5	88.4	-96.1	1.4	0	0	0	115.3
309	H	31.8	Very low	30.5	Very low	166 Å²	166	143.9 Å²	143.9	77%	0.769	77%	0.766	S	S	*	*			trans	87.3	129.7	176.4	-58.2	-53.7	0	0	0	115.2
310	Q	30.4	Very low	30	Very low	158 Å²	158	142.6 Å²	142.6	74%	0.738	76%	0.762	S	S	*	*			cis	-163.3	142.4	4.1	-110.3	166.8	-15.4	0	0	105.8
311	P	28.8	Very low	29.7	Very low	125 Å²	125	142.1 Å²	142.1	81%	0.812	76%	0.76	S	S	*	*			trans	-88.4	130.2	170.8	32.4	-25.5	0	0	0	109.6
312	L	30.5	Very low	29.6	Very low	147 Å²	147	144.5 Å²	144.5	77%	0.77	77%	0.77	S	S	*	*			trans	-115.7	108.8	172.8	-132.6	90.2	0	0	0	110.3
313	D	30.7	Very low	29.3	Very low	128 Å²	128	141.8 Å²	141.8	68%	0.684	77%	0.766	S	S	*	*			trans	52.3	103.1	135.2	-57.4	-18.7	0	0	0	118.6
314	S	26.9	Very low	29.4	Very low	93 Å²	93	139.9 Å²	139.9	65%	0.65	77%	0.765	S	S	*	*				65.9	103.1	73.3	84.1	0	0	0	0	114.2
315	F	29.2	Very low	29.7	Very low	198 Å²	198	138.9 Å²	138.9	87%	0.868	76%	0.76	S	S	*	*			trans	-144.3	91.2	144.1	-105.8	-82.8	0	0	0	111.1
316	I	28.7	Very low	29.6	Very low	131 Å²	131	136.7 Å²	136.7	67%	0.672	76%	0.758	S	S	*	*			trans	60.4	108.8	130.7	-56	179	0	0	0	119.6
317	A	26.2	Very low	29.7	Very low	95 Å²	95	136 Å²	136	79%	0.785	76%	0.764	S	S	*	*			trans	-70.5	138.5	146.6	0	0	0	0	0	112.4
318	K	27.7	Very low	29.6	Very low	196 Å²	196	135.7 Å²	135.7	85%	0.852	76%	0.761	S	S	*	*			trans	171.4	125.8	156.4	-98.3	163.7	-178.2	-178.8	0	105.4
319	C	26.4	Very low	30	Very low	120 Å²	120	135.1 Å²	135.1	81%	0.811	77%	0.768	S	S	*	*				-148.6	125.6	53.9	-63.6	0	0	0	0	112
320	A	27.1	Very low	30	Very low	83 Å²	83	136.4 Å²	136.4	69%	0.686	77%	0.771	S	S	*	*			trans	-81.2	160	140.8	0	0	0	0	0	108.9
321	D	26.3	Very low	30	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	78%	0.775	S	S	*	*			trans	60.9	102.6	162.5	-60.3	-24.6	0	0	0	118.8
322	V	31.3	Very low	30	Very low	143 Å²	143	138.6 Å²	138.6	87%	0.867	77%	0.768	S	S	*	*			trans	-129.8	97.4	147.1	-176.2	0	0	0	0	108.3
323	T	30.5	Very low	30.2	Very low	123 Å²	123	139.2 Å²	139.2	76%	0.755	77%	0.767	S	S	*	*			trans	-68.1	136.9	159.3	44.7	0	0	0	0	110.3
324	D	28.8	Very low	30	Very low	153 Å²	153	140 Å²	140	82%	0.818	77%	0.771	S	S	*	*			trans	-45	139.4	165.8	-119.3	-27.1	0	0	0	113.4
325	P	39.8	Very low	30.5	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	78%	0.782	S	S	*	*			trans	-100.6	104.5	155.1	31.6	-19	0	0	0	110.1
326	N	28.5	Very low	30.6	Very low	134 Å²	134	140.5 Å²	140.5	72%	0.717	78%	0.781	S	S	*	*			trans	-67.4	123.4	163.4	-167.9	7.2	0	0	0	110.2
327	V	34.7	Very low	30.8	Very low	133 Å²	133	137.8 Å²	137.8	81%	0.806	79%	0.786	S	S	*	*			trans	-150.2	101.6	150.6	-176.6	0	0	0	0	110.7
328	D	30.3	Very low	31.2	Very low	132 Å²	132	140.1 Å²	140.1	71%	0.706	79%	0.785	S	S	*	*			trans	-64.1	135.7	155.4	-116	-34.4	0	0	0	110.5
329	S	35.3	Very low	31.4	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	78%	0.783	S	S	*	*			trans	-156.5	97	151	-85.4	0	0	0	0	110.7
330	K	31.2	Very low	31.7	Very low	193 Å²	193	136.1 Å²	136.1	84%	0.839	78%	0.782	S	S	*	*			trans	-63.5	129.4	159.8	-69.5	178	177.3	177.5	0	109.6
331	R	30.2	Very low	31.9	Very low	216 Å²	216	137.9 Å²	137.9	82%	0.815	78%	0.784	S	S	*	*			trans	-144.9	118.7	140.2	-169	166.8	175.4	175.1	-4.6	110.2	E333	R331-E333 IonicContact CZ-OE1 2.69Å; R331-E333 IonicContact NE-OE1 3.67Å; R331-E333 IonicContact NH2-OE1 3.91Å; R331-E333 PolarHBondContact NH2-OE1 3.44Å
332	V	29.1	Very low	32.2	Very low	112 Å²	112	138.5 Å²	138.5	68%	0.679	79%	0.787	S	S	*	*			trans	-67.8	138.4	168.6	171.6	0	0	0	0	108.9
333	E	35.1	Very low	32.2	Very low	160 Å²	160	139.1 Å²	139.1	75%	0.748	78%	0.78	S	S	*	*			trans	-163.4	114.9	139.3	-102.9	161	-131	0	0	108.5	R331	R331-E333 IonicContact CZ-OE1 2.69Å; R331-E333 IonicContact NE-OE1 3.67Å; R331-E333 IonicContact NH2-OE1 3.91Å; R331-E333 PolarHBondContact NH2-OE1 3.44Å
334	N	27.7	Very low	32.4	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	78%	0.777	S	S	*	*			trans	-67	151.3	170.6	-59.4	-44.1	0	0	0	110.1
335	V	36.1	Very low	32.6	Very low	143 Å²	143	139.4 Å²	139.4	87%	0.867	77%	0.768	S	S	*	*				-164.1	134.5	125.5	170.1	0	0	0	0	108.8
336	D	31.4	Very low	32.2	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	76%	0.761	S	S	*	*			trans	-56.7	162.9	179.4	-59.3	-68.7	0	0	0	116.9
337	G	33.7	Very low	32.4	Very low	75 Å²	75	140.4 Å²	140.4	77%	0.773	76%	0.758	S	S	*	*			trans	169.2	61.3	163.1	0	0	0	0	0	119
338	N	33.7	Very low	32.4	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	75%	0.749	S	S	*	*			trans	36.3	129.3	139.3	-99.6	-1.3	0	0	0	124.2
339	L	32.3	Very low	32.6	Very low	156 Å²	156	138.9 Å²	138.9	82%	0.817	75%	0.745	S	S	*	*				69.5	131.9	125.8	-66.3	165.6	0	0	0	121.6
340	G	31.9	Very low	32.5	Very low	76 Å²	76	140.2 Å²	140.2	78%	0.784	74%	0.744	S	S	*	*			trans	157.2	86.3	148.7	0	0	0	0	0	115.8
341	V	31.3	Very low	32.7	Very low	120 Å²	120	135.4 Å²	135.4	73%	0.727	73%	0.734	S	S	*	*			trans	-72	148.5	171.4	177.2	0	0	0	0	110.7
342	N	32.9	Very low	33	Very low	161 Å²	161	131.3 Å²	131.3	86%	0.861	73%	0.729	S	S	*	*				-177.2	138.6	127.3	-88.2	-17.4	0	0	0	114.8
343	E	30.9	Very low	33.2	Very low	156 Å²	156	132.1 Å²	132.1	73%	0.729	73%	0.729	S	S	*	*			trans	-78	-175.2	178.7	-63	173.2	121.1	0	0	113.7
344	H	35.7	Very low	33.3	Very low	149 Å²	149	131.2 Å²	131.2	69%	0.69	73%	0.729	S	S	*	*			trans	103.5	137.1	161.4	-62.9	-42.6	0	0	0	115.2
345	Q	32.3	Very low	33.4	Very low	134 Å²	134	130.3 Å²	130.3	63%	0.626	73%	0.729	S	S	*	*			cis	174.8	156.6	-10.7	-119.2	172.3	8.7	0	0	105.7
346	H	32.3	Very low	33.1	Very low	133 Å²	133	130.9 Å²	130.9	62%	0.616	73%	0.727	S	S	*	*			trans	62.7	149.5	146.9	-69.8	-61.5	0	0	0	118.5
347	E	32.8	Very low	32.9	Very low	140 Å²	140	131.8 Å²	131.8	65%	0.654	72%	0.723	S	S	*	*			cis	-174.2	163.6	-8.7	-121.4	170.2	-166.8	0	0	106.7
348	D	35.4	Very low	32.8	Very low	115 Å²	115	135.9 Å²	135.9	62%	0.615	73%	0.727	S	S	*	*			trans	85	109	138.2	-72.4	2.7	0	0	0	124.1
349	N	34.2	Very low	32.3	Very low	118 Å²	118	137.7 Å²	137.7	63%	0.631	73%	0.731	S	S	*	*				95.3	126.4	110	-72.4	-27.9	0	0	0	122.2
350	N	32.7	Very low	32.3	Very low	142 Å²	142	137 Å²	137	76%	0.759	73%	0.733	S	S	*	*			trans	71.4	141.5	139.5	-70.2	-19.1	0	0	0	117.7
351	S	35.8	Very low	31.9	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	73%	0.733	S	S	*	*			cis	179.8	154.9	23.6	24.3	0	0	0	0	109.6
352	N	35	Very low	31.5	Very low	130 Å²	130	141.2 Å²	141.2	70%	0.695	73%	0.733	S	S	*	*			trans	87.5	112.2	139.8	-68.5	6.5	0	0	0	122.8
353	D	34.9	Very low	31.2	Very low	129 Å²	129	144.1 Å²	144.1	69%	0.69	74%	0.738	S	S	*	*				98.6	133.7	111.8	-62.6	-19.9	0	0	0	123.2
354	D	35.6	Very low	30.8	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	74%	0.735	S	S	*	*			trans	90.3	88.5	147.4	-63.3	-25.8	0	0	0	123.2
355	V	29.8	Very low	30.3	Very low	125 Å²	125	139.6 Å²	139.6	76%	0.758	73%	0.731	S	S	*	*				18.9	115.8	114.7	-172.4	0	0	0	0	117.8
356	N	30.8	Very low	30	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	74%	0.743	S	S	*	*				-163.2	137.2	117.7	-124.8	-20.9	0	0	0	114.5
357	K	27.7	Very low	29.6	Very low	179 Å²	179	143.6 Å²	143.6	78%	0.778	76%	0.755	S	S	*	*			trans	-75.3	146.9	165.9	-68.7	170	175.3	172.5	0	108.8
358	N	30	Very low	29.3	Very low	160 Å²	160	142.9 Å²	142.9	86%	0.856	76%	0.764	S	S	*	*			trans	-171.6	133.4	133.5	-90	-21.2	0	0	0	111.3
359	E	24.9	Very low	28.7	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	78%	0.776	S	S	*	*			trans	-53.3	159	162.2	-62.4	167.7	137.7	0	0	111
360	V	30.5	Very low	28.4	Very low	141 Å²	141	148.6 Å²	148.6	86%	0.855	79%	0.788	S	S	*	*				173.1	135.1	117.7	171.6	0	0	0	0	109.1
361	N	23.4	Very low	28	Very low	149 Å²	149	146.5 Å²	146.5	80%	0.797	79%	0.785	S	S	*	*			trans	-48.8	170.5	172.4	-77	-47.2	0	0	0	115.8
362	L	24.8	Very low	27.5	Very low	137 Å²	137	147.1 Å²	147.1	72%	0.717	79%	0.789	S	S	*	*			trans	111.7	103.5	143.5	-149.7	79.3	0	0	0	114
363	F	26.1	Very low	27.2	Very low	222 Å²	222	150 Å²	150	97%	0.974	80%	0.798	S	S	*	*				-140.6	118.8	127.3	-102.2	-76.5	0	0	0	110.1
364	N	23.2	Very low	26.7	Very low	123 Å²	123	149.7 Å²	149.7	66%	0.658	80%	0.801	S	S	*	*			trans	-86.7	148.5	-174.3	-130.3	3.5	0	0	0	109.5
365	S	23.8	Very low	26.5	Very low	86 Å²	86	150.7 Å²	150.7	60%	0.601	81%	0.805	S	S	*	*			trans	28.5	124.3	139.8	52.9	0	0	0	0	119.3
366	N	26.4	Very low	26.4	Very low	167 Å²	167	151.6 Å²	151.6	89%	0.893	81%	0.805	S	S	*	*			trans	-149.6	128.2	130.3	-90.2	-26.2	0	0	0	111.1
367	E	24.5	Very low	26.2	Very low	185 Å²	185	153.8 Å²	153.8	86%	0.864	81%	0.81	S	S	*	*			trans	-61.9	150.4	173.4	-59.6	171	142.3	0	0	111.6
368	C	25.4	Very low	26.3	Very low	124 Å²	124	148.6 Å²	148.6	84%	0.838	81%	0.808	S	S	*	*			trans	-152.1	98.3	146.4	-143.5	0	0	0	0	109
369	E	22.7	Very low	26.2	Very low	183 Å²	183	146.4 Å²	146.4	86%	0.855	81%	0.805	S	S	*	*			trans	-61.6	135	156	-66.5	-178.9	140.4	0	0	109
370	L	28.7	Very low	26.2	Very low	170 Å²	170	142.9 Å²	142.9	89%	0.89	80%	0.8	S	S	*	*			trans	-139.2	115.1	150.6	-133.6	92.5	0	0	0	109.5
371	S	23.8	Very low	26.2	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	80%	0.802	S	S	*	*			trans	-79.6	164.3	-179.5	49.7	0	0	0	0	113.9
372	S	24.6	Very low	26.5	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	81%	0.805	S	S	*	*			trans	66.2	124.8	159.2	51.4	0	0	0	0	116
373	E	29.1	Very low	26.8	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	82%	0.816	S	S	*	*				-140.3	135.7	69.1	-77.7	173.8	163.4	0	0	115
374	T	25.2	Very low	26.9	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	80%	0.803	S	S	*	*			trans	-53.6	145.8	160.5	1.7	0	0	0	0	112.6
375	I	30	Very low	27.1	Very low	161 Å²	161	139.8 Å²	139.8	83%	0.826	81%	0.809	S	S	*	*				-166.7	113.8	126	-88	145.7	0	0	0	110
376	N	28	Very low	27.5	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	81%	0.813	S	S	*	*			trans	54.1	107.2	145.7	-66.6	-18.4	0	0	0	123.5
377	Q	27	Very low	27.7	Very low	200 Å²	200	140.2 Å²	140.2	94%	0.935	81%	0.812	S	S	*	*			trans	-31.3	145	138.9	-66.2	166	-17	0	0	116.7
378	G	29.2	Very low	28.1	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	81%	0.811	S	S	*	*			trans	178.4	81	158.1	0	0	0	0	0	107.7
379	S	29.7	Very low	28.3	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	81%	0.814	S	S	*	*				55.6	110	95.9	-169.5	0	0	0	0	114.4
380	C	24.5	Very low	28.7	Very low	107 Å²	107	134.4 Å²	134.4	72%	0.723	81%	0.812	S	S	*	*			trans	25.4	130.4	146	-57.3	0	0	0	0	119.7
381	D	30.6	Very low	28.9	Very low	170 Å²	170	129.4 Å²	129.4	91%	0.909	80%	0.796	S	S	*	*				-162.9	136.1	108.2	-88	-26.4	0	0	0	112.1
382	E	28.7	Very low	29.1	Very low	183 Å²	183	131 Å²	131	86%	0.855	80%	0.796	S	S	*	*			trans	-65.1	142.6	170.2	-59.5	179.9	141.7	0	0	110.4
383	V	31.3	Very low	29.4	Very low	155 Å²	155	131.8 Å²	131.8	94%	0.939	80%	0.796	S	S	*	*			trans	-171.4	147.3	132	-88.4	0	0	0	0	111.4
384	A	28.3	Very low	29.2	Very low	87 Å²	87	131.6 Å²	131.6	72%	0.719	80%	0.796	S	S	*	*			trans	-80.8	167.6	-164.4	0	0	0	0	0	115.3
385	S	28.3	Very low	29.4	Very low	111 Å²	111	128.7 Å²	128.7	78%	0.776	79%	0.79	S	S	*	*			trans	91.6	132.7	135.5	73.5	0	0	0	0	120.7
386	S	31.5	Very low	29.2	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	78%	0.781	S	S	*	*			trans	100.7	113.3	144.7	76.7	0	0	0	0	118.3
387	D	30.1	Very low	29.1	Very low	165 Å²	165	125.5 Å²	125.5	88%	0.882	78%	0.782	S	S	*	*			trans	71.4	95.5	132.7	-54.9	-17.9	0	0	0	119
388	G	32.7	Very low	29.1	Very low	82 Å²	82	123.6 Å²	123.6	85%	0.845	77%	0.766	S	S	*	*			trans	-133.3	91.9	163.5	0	0	0	0	0	110.9
389	N	30.8	Very low	29	Very low	166 Å²	166	131.1 Å²	131.1	89%	0.888	77%	0.774	S	S	*	*			trans	-64.6	130.4	168.6	-116.9	-10.6	0	0	0	111.2
390	C	30.4	Very low	28.8	Very low	122 Å²	122	132.1 Å²	132.1	82%	0.824	77%	0.77	S	S	*	*			trans	-154.7	108.9	155.5	-95.9	0	0	0	0	105.5
391	A	32.6	Very low	28.9	Very low	66 Å²	66	131.4 Å²	131.4	55%	0.545	77%	0.767	S	S	.	*				44.4	114.6	59.3	0	0	0	0	0	110.4
392	D	27.8	Very low	28.7	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	76%	0.761	S	S	*	*			cis	-156.1	135.9	14.9	-71.7	-51.5	0	0	0	107.5
393	V	31.8	Very low	28.6	Very low	121 Å²	121	124.2 Å²	124.2	73%	0.733	75%	0.749	S	S	*	*			trans	-142.9	84.8	155.8	-174	0	0	0	0	107.6
394	E	25.6	Very low	28.5	Very low	187 Å²	187	120.9 Å²	120.9	87%	0.874	73%	0.732	S	S	*	*			trans	-79.8	133	153.4	-69.3	-166.7	154.5	0	0	108
395	G	27.8	Very low	28.4	Very low	62 Å²	62	119.4 Å²	119.4	64%	0.639	71%	0.712	S	S	*	*			trans	144.9	98.9	162.2	0	0	0	0	0	116.6
396	S	27.3	Very low	28.4	Very low	91 Å²	91	121.1 Å²	121.1	64%	0.636	71%	0.707	S	S	*	*			trans	54.2	110.8	151.5	65.2	0	0	0	0	119	R398	S396-R398 PolarHBondContact O-N 2.9Å
397	D	24.9	Very low	28.4	Very low	148 Å²	148	117.3 Å²	117.3	79%	0.791	68%	0.68	S	S	*	*			trans	-54	94.5	158.8	-69.3	-51.4	0	0	0	111.3
398	R	27.1	Very low	28.3	Very low	160 Å²	160	114.6 Å²	114.6	60%	0.604	67%	0.665	S	S	*	*			trans	-138.3	82.4	163.3	-85	-173.7	174	-173.2	0	108.6	S396 S492 N493	S396-R398 PolarHBondContact O-N 2.9Å; R398-S492 PolarHBondContact NE-O 3.04Å; R398-S492 PolarHBondContact NH2-O 2.84Å; R398-N493 VanDerWaalsContact CG-OD1 3.22Å; R398-N493 WeakPolarHBondContact CG-OD1 3.36Å
399	Y	27.4	Very low	28.2	Very low	229 Å²	229	113.5 Å²	113.5	90%	0.898	64%	0.643	S	S	*	*			trans	-99.1	75.7	163	-86.4	-84.2	0	0	0	109.1
400	D	24.2	Very low	28.2	Very low	134 Å²	134	111.8 Å²	111.8	72%	0.717	63%	0.633	S	S	*	*			trans	-131	80.2	153.7	-109.6	-14.5	0	0	0	105.2	K536	D400-K536 IonicContact OD2-NZ 3.16Å; D400-K536 PolarHBondContact OD2-NZ 2.81Å
401	S	27.7	Very low	28.2	Very low	92 Å²	92	109.1 Å²	109.1	64%	0.643	63%	0.627	S	S	*	*			trans	-152.3	111.3	165.3	-170.2	0	0	0	0	108.8	A403	S401-A403 PolarHBondContact O-N 2.73Å
402	V	25.6	Very low	28.1	Very low	132 Å²	132	111.4 Å²	111.4	80%	0.8	64%	0.637	S	S	*	*			trans	-60	91.5	157.4	-156	0	0	0	0	105
403	A	27.5	Very low	28.2	Very low	71 Å²	71	112.6 Å²	112.6	59%	0.587	64%	0.643	S	S	*	*			trans	-121.8	91.6	-174.3	0	0	0	0	0	109.9	S401	S401-A403 PolarHBondContact O-N 2.73Å
404	S	28.2	Very low	28.3	Very low	84 Å²	84	115.3 Å²	115.3	59%	0.587	65%	0.648	S	S	*	*				50.2	89.3	129.4	-39.8	0	0	0	0	117.6	Q406	S404-Q406 PolarHBondContact O-N 3.17Å
405	L	27.8	Very low	28.4	Very low	57 Å²	57	114.6 Å²	114.6	30%	0.298	65%	0.65	S	S	.	*			trans	-84.4	95.6	146.5	-90.4	158.6	0	0	0	108.2	A152 V407	A152-L405 HydrophobicContact CB-CD1 3.84Å; L405-V407 VanDerWaalsContact C-N 3.34Å; L405-V407 PolarHBondContact O-N 2.91Å
406	Q	28.3	Very low	29	Very low	146 Å²	146	116.5 Å²	116.5	68%	0.682	65%	0.649	S	S	*	*			trans	-67.7	98.3	160	-75.6	-175.7	-9.1	0	0	107.9	S404 I408	S404-Q406 PolarHBondContact O-N 3.17Å; Q406-I408 PolarHBondContact O-N 2.9Å
407	V	29.9	Very low	29.7	Very low	18 Å²	18	118.3 Å²	118.3	11%	0.109	65%	0.646	C	S	.	*			trans	-79.2	111.9	166.2	166.6	0	0	0	0	107	R134 L405 P409	R134-V407 HydrophobicContact CB-CG1 3.98Å; R134-V407 WeakPolarHBondContact O-CB 3.43Å; R134-V407 WeakPolarHBondContact O-CG1 3.26Å; R134-V407 VanDerWaalsContact O-CG2 3.27Å; R134-V407 WeakPolarHBondContact O-CG2 3.37Å; L405-V407 VanDerWaalsContact C-N 3.34Å; L405-V407 PolarHBondContact O-N 2.91Å; V407-P409 WeakPolarHBondContact O-CD 3.19Å
408	I	28.9	Very low	30.5	Very low	108 Å²	108	116 Å²	116	55%	0.554	63%	0.63	S	S	*	*			trans	-90.1	106.9	165.3	-57.4	173.8	0	0	0	105.7	Q406 N410	Q406-I408 PolarHBondContact O-N 2.9Å; I408-N410 PolarHBondContact O-N 2.76Å
409	P	31.3	Very low	31	Very low	59 Å²	59	111.8 Å²	111.8	38%	0.383	63%	0.625	S	S	.	*			trans	-78.7	114.9	170.7	11.1	5.5	0	0	0	108.2	V407	V407-P409 WeakPolarHBondContact O-CD 3.19Å
410	N	29.3	Very low	31.7	Very low	130 Å²	130	105 Å²	105	70%	0.695	60%	0.602	S	S	*	*			trans	-83.6	125.8	165.5	-78.4	-14.5	0	0	0	109.1	I408	I408-N410 PolarHBondContact O-N 2.76Å
411	G	31.4	Very low	32.7	Very low	66 Å²	66	101.7 Å²	101.7	68%	0.68	58%	0.583	S	S	*	*			trans	83.4	108.4	177.6	0	0	0	0	0	111.7
412	C	30.6	Very low	33.5	Very low	113 Å²	113	100.2 Å²	100.2	76%	0.764	57%	0.568	S	S	*	*				-168.4	154.8	56	30.3	0	0	0	0	108.3
413	D	29.2	Very low	34.1	Very low	156 Å²	156	101 Å²	101	83%	0.834	56%	0.563	S	S	*	*			trans	-31.5	126.5	-171.9	-63.3	-61.5	0	0	0	117.4
414	E	33.6	Very low	34.9	Very low	178 Å²	178	101.8 Å²	101.8	83%	0.832	56%	0.556	S	S	*	*			trans	173.9	111.8	132.1	-85	-103.8	148.1	0	0	109.2	V416	E414-V416 PolarHBondContact O-N 3.35Å
415	N	29.5	Very low	35.7	Very low	172 Å²	172	100.9 Å²	100.9	92%	0.92	55%	0.545	S	S	*	.			trans	-69.6	76.4	-174.7	-78.6	-57.6	0	0	0	113.7
416	V	39.5	Very low	36.5	Very low	102 Å²	102	101.3 Å²	101.3	62%	0.618	55%	0.55	S	S	*	*	S	Bend	trans	-128.5	85.1	164.9	-173.6	0	0	0	0	110.6	E414 Q418	E414-V416 PolarHBondContact O-N 3.35Å; V416-Q418 PolarHBondContact O-N 2.62Å
417	K	41.3	Very low	36.8	Very low	129 Å²	129	96.3 Å²	96.3	56%	0.561	53%	0.533	S	S	*	.			trans	29.1	76.6	157.6	-59.9	-177.1	-176.7	-179	0	118.3	S419 E420	K417-S419 PolarHBondContact O-N 2.72Å; K417-E420 HydrophobicContact CB-CG 4.11Å; K417-E420 VanDerWaalsContact CD-CD 3.44Å; K417-E420 HydrophobicContact CD-CG 4.2Å; K417-E420 WeakPolarHBondContact CD-OE1 3.21Å; K417-E420 IonicContact NZ-OE1 3.98Å; K417-E420 PolarHBondContact NZ-OE1 3.07Å; K417-E420 PolarHBondContact O-N 2.83Å
418	Q	42.6	Very low	37.3	Very low	101 Å²	101	98.3 Å²	98.3	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-50.6	-22.7	163.2	-164.3	69.3	10.3	0	0	113.6	V416 E420	V416-Q418 PolarHBondContact O-N 2.62Å; Q418-E420 VanDerWaalsContact C-N 3.34Å; Q418-E420 PolarHBondContact O-N 3.38Å
419	S	38.4	Very low	37.7	Very low	71 Å²	71	97.3 Å²	97.3	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-67.7	-25.6	176.4	57.2	0	0	0	0	114.6	K417 H423	K417-S419 PolarHBondContact O-N 2.72Å; S419-H423 PolarHBondContact O-N 3.25Å; S419-H423 PolarHBondContact O-ND1 2.86Å
420	E	40.6	Very low	38.1	Very low	86 Å²	86	101.8 Å²	101.8	40%	0.402	55%	0.55	S	S	.	.	H	α-helix	trans	-81.5	-32.5	-179.1	-71.6	172.9	177.8	0	0	111.6	K417 Q418 H423 I424	K417-E420 HydrophobicContact CB-CG 4.11Å; K417-E420 VanDerWaalsContact CD-CD 3.44Å; K417-E420 HydrophobicContact CD-CG 4.2Å; K417-E420 WeakPolarHBondContact CD-OE1 3.21Å; K417-E420 IonicContact NZ-OE1 3.98Å; K417-E420 PolarHBondContact NZ-OE1 3.07Å; K417-E420 PolarHBondContact O-N 2.83Å; Q418-E420 VanDerWaalsContact C-N 3.34Å; Q418-E420 PolarHBondContact O-N 3.38Å; E420-H423 PolarHBondContact O-N 2.92Å; E420-I424 WeakPolarHBondContact O-CG1 3.34Å; E420-I424 PolarHBondContact O-N 3.41Å
421	I	45.6	Very low	38.4	Very low	65 Å²	65	98.8 Å²	98.8	33%	0.333	53%	0.533	S	S	.	.	H	α-helix	trans	-68.8	-39	175.7	-64.9	174.1	0	0	0	111.1	I424 N425	I421-I424 PolarHBondContact O-N 2.98Å; I421-N425 VanDerWaalsContact O-CG 3.31Å; I421-N425 PolarHBondContact O-N 3.37Å; I421-N425 VanDerWaalsContact O-N 3.1Å; I421-N425 PolarHBondContact O-ND2 2.81Å
422	N	43.6	Very low	38.7	Very low	61 Å²	61	99 Å²	99	33%	0.326	52%	0.524	S	S	.	.	H	α-helix	trans	-66.4	-39.1	176.2	-71.8	-14.8	0	0	0	111.7	I424 N425 T426	N422-I424 VanDerWaalsContact C-N 3.35Å; N422-I424 PolarHBondContact O-N 2.86Å; N422-N425 PolarHBondContact O-N 3.14Å; N422-T426 PolarHBondContact O-N 2.82Å; N422-T426 PolarHBondContact O-OG1 3.05Å
423	H	39.8	Very low	39.1	Very low	149 Å²	149	100.7 Å²	100.7	69%	0.69	53%	0.525	S	S	*	.	H	α-helix	trans	-62.9	-38	174.5	-95.9	78.3	0	0	0	113.1	S419 E420 A427	S419-H423 PolarHBondContact O-N 3.25Å; S419-H423 PolarHBondContact O-ND1 2.86Å; E420-H423 PolarHBondContact O-N 2.92Å; H423-A427 VanDerWaalsContact O-CB 3.28Å; H423-A427 WeakPolarHBondContact O-CB 3.4Å; H423-A427 PolarHBondContact O-N 3.08Å
424	I	43.9	Very low	39.4	Very low	87 Å²	87	98.5 Å²	98.5	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-67.7	-40.4	176.9	-67	165.7	0	0	0	110.8	E420 I421 N422 A427 L428	E420-I424 WeakPolarHBondContact O-CG1 3.34Å; E420-I424 PolarHBondContact O-N 3.41Å; I421-I424 PolarHBondContact O-N 2.98Å; N422-I424 VanDerWaalsContact C-N 3.35Å; N422-I424 PolarHBondContact O-N 2.86Å; I424-A427 PolarHBondContact O-N 2.87Å; I424-L428 HydrophobicContact CG2-CD1 3.91Å; I424-L428 WeakPolarHBondContact O-CB 3.49Å; I424-L428 WeakPolarHBondContact O-CD1 3.32Å; I424-L428 WeakPolarHBondContact O-CG 3.17Å; I424-L428 PolarHBondContact O-N 2.67Å
425	N	44.4	Very low	39.3	Very low	64 Å²	64	95.2 Å²	95.2	34%	0.342	51%	0.506	S	S	.	.	H	α-helix	trans	-67.6	-41.6	177.3	-66.3	-18.6	0	0	0	111.7	I421 N422 L428 E429	I421-N425 VanDerWaalsContact O-CG 3.31Å; I421-N425 PolarHBondContact O-N 3.37Å; I421-N425 VanDerWaalsContact O-N 3.1Å; I421-N425 PolarHBondContact O-ND2 2.81Å; N422-N425 PolarHBondContact O-N 3.14Å; N425-L428 WeakPolarHBondContact O-CB 3.21Å; N425-L428 PolarHBondContact O-N 3.31Å; N425-E429 PolarHBondContact O-N 3.16Å; N425-E429 VanDerWaalsContact O-N 3.07Å
426	T	44.4	Very low	39.6	Very low	67 Å²	67	92 Å²	92	41%	0.411	49%	0.491	S	S	.	.	H	α-helix	trans	-67.7	-34.2	175	-50.6	0	0	0	0	112.5	N422 E429 K430	N422-T426 PolarHBondContact O-N 2.82Å; N422-T426 PolarHBondContact O-OG1 3.05Å; T426-E429 PolarHBondContact O-N 2.84Å; T426-K430 WeakPolarHBondContact O-CG 3.12Å; T426-K430 PolarHBondContact O-N 3.25Å; T426-K430 VanDerWaalsContact O-N 3.11Å
427	A	36.1	Very low	39.6	Very low	40 Å²	40	92.4 Å²	92.4	33%	0.331	49%	0.494	S	S	.	.	H	α-helix	trans	-68.6	-35.6	172.9	0	0	0	0	0	112.1	H423 I424 L431	H423-A427 VanDerWaalsContact O-CB 3.28Å; H423-A427 WeakPolarHBondContact O-CB 3.4Å; H423-A427 PolarHBondContact O-N 3.08Å; I424-A427 PolarHBondContact O-N 2.87Å; A427-L431 WeakPolarHBondContact O-CB 3.17Å; A427-L431 VanDerWaalsContact O-CD1 3.3Å; A427-L431 WeakPolarHBondContact O-CD1 3.42Å; A427-L431 WeakPolarHBondContact O-CG 3.43Å; A427-L431 PolarHBondContact O-N 3.11Å; A427-L431 VanDerWaalsContact O-N 3.07Å
428	L	38.8	Very low	39.3	Very low	60 Å²	60	90.8 Å²	90.8	31%	0.314	50%	0.499	S	S	.	.	H	α-helix	trans	-66.4	-35.8	174.8	-83.5	157.9	0	0	0	112.7	K193 I424 N425	K193-L428 HydrophobicContact CD-CD2 4.34Å; K193-L428 HydrophobicContact CG-CD2 3.47Å; K193-L428 VanDerWaalsContact CG-CD2 3.47Å; I424-L428 HydrophobicContact CG2-CD1 3.91Å; I424-L428 WeakPolarHBondContact O-CB 3.49Å; I424-L428 WeakPolarHBondContact O-CD1 3.32Å; I424-L428 WeakPolarHBondContact O-CG 3.17Å; I424-L428 PolarHBondContact O-N 2.67Å; N425-L428 WeakPolarHBondContact O-CB 3.21Å; N425-L428 PolarHBondContact O-N 3.31Å
429	E	37.4	Very low	39.1	Very low	88 Å²	88	90.4 Å²	90.4	41%	0.411	51%	0.508	S	S	.	.	H	α-helix	trans	-71.5	-40.9	174.8	-76	171.2	176.3	0	0	112.1	N425 T426 L431 S432	N425-E429 PolarHBondContact O-N 3.16Å; N425-E429 VanDerWaalsContact O-N 3.07Å; T426-E429 PolarHBondContact O-N 2.84Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 PolarHBondContact O-N 3.27Å; E429-S432 WeakPolarHBondContact O-CB 3.24Å; E429-S432 PolarHBondContact O-N 3.16Å
430	K	39.7	Very low	39.1	Very low	153 Å²	153	93.7 Å²	93.7	67%	0.665	52%	0.515	S	S	*	.	H	α-helix	trans	-70.5	-24	176.9	-71	-175	178	-173.6	0	113.7	T426 S432	T426-K430 WeakPolarHBondContact O-CG 3.12Å; T426-K430 PolarHBondContact O-N 3.25Å; T426-K430 VanDerWaalsContact O-N 3.11Å; K430-S432 VanDerWaalsContact C-N 3.27Å; K430-S432 PolarHBondContact O-N 2.98Å
431	L	35.1	Very low	38.9	Very low	66 Å²	66	96.3 Å²	96.3	35%	0.346	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.3	174.8	-82.4	158.4	0	0	0	114.1	A427 E429	A427-L431 WeakPolarHBondContact O-CB 3.17Å; A427-L431 VanDerWaalsContact O-CD1 3.3Å; A427-L431 WeakPolarHBondContact O-CD1 3.42Å; A427-L431 WeakPolarHBondContact O-CG 3.43Å; A427-L431 PolarHBondContact O-N 3.11Å; A427-L431 VanDerWaalsContact O-N 3.07Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 PolarHBondContact O-N 3.27Å
432	S	38.2	Very low	38.5	Very low	70 Å²	70	101.7 Å²	101.7	49%	0.49	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	-11.5	178.2	-152.8	0	0	0	0	113.8	E429 K430	E429-S432 WeakPolarHBondContact O-CB 3.24Å; E429-S432 PolarHBondContact O-N 3.16Å; K430-S432 VanDerWaalsContact C-N 3.27Å; K430-S432 PolarHBondContact O-N 2.98Å
433	L	40	Very low	38.7	Very low	150 Å²	150	104.8 Å²	104.8	79%	0.785	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-27.9	175.4	-106.2	81.5	0	0	0	113.8
434	D	34	Very low	39.3	Very low	110 Å²	110	99.7 Å²	99.7	59%	0.588	56%	0.56	S	S	*	*	S	Bend	trans	-122.4	136.2	-170.2	-57.2	-40.1	0	0	0	110.2
435	T	31.5	Very low	40.2	Very low	109 Å²	109	101.5 Å²	101.5	67%	0.669	57%	0.57	S	S	*	*	S	Bend	trans	125.3	0.7	145.8	-43.4	0	0	0	0	121
436	V	36.7	Very low	41.7	Very low	103 Å²	103	102 Å²	102	62%	0.624	58%	0.579	S	S	*	*	S	Bend	trans	-124.7	-7.9	-176.6	-165	0	0	0	0	119
437	V	39.2	Very low	43.6	Very low	111 Å²	111	104.9 Å²	104.9	67%	0.673	59%	0.592	S	S	*	*	S	Bend	trans	-87.3	-13.7	-174	-173.5	0	0	0	0	114.7
438	S	36	Very low	46	Very low	95 Å²	95	104.9 Å²	104.9	66%	0.664	59%	0.585	S	S	*	*	S	Bend	trans	-101.6	1.3	-168.4	-68.1	0	0	0	0	117.5
439	S	38.1	Very low	48.3	Very low	94 Å²	94	104.2 Å²	104.2	66%	0.657	58%	0.581	S	S	*	*	S	Bend	trans	-137.2	11.5	-171	28.5	0	0	0	0	116.7
440	Q	38.3	Very low	50.7	Low	140 Å²	140	104.2 Å²	104.2	65%	0.654	58%	0.584	S	S	*	*			trans	-126.1	28.9	176.5	-68	-174.6	-8	0	0	114.3	F442	Q440-F442 PolarHBondContact O-N 2.67Å
441	L	35.3	Very low	53	Low	140 Å²	140	101 Å²	101	73%	0.733	57%	0.572	S	S	*	*			trans	-72.2	74.6	165.8	-88.1	142	0	0	0	109.7
442	F	38.6	Very low	55.6	Low	179 Å²	179	97.9 Å²	97.9	79%	0.785	56%	0.555	S	S	*	*			trans	-103.8	114.9	165	-75.9	-82.8	0	0	0	108.3	Q440 C444	Q440-F442 PolarHBondContact O-N 2.67Å; F442-C444 PolarHBondContact O-N 2.55Å; F442-C444 VanDerWaalsContact O-N 3.16Å
443	S	48	Very low	58.1	Low	125 Å²	125	95.5 Å²	95.5	87%	0.874	54%	0.537	S	S	*	.	S	Bend	trans	52.2	22.7	164.1	82	0	0	0	0	122
444	C	51.5	Low	60.5	Low	43 Å²	43	91 Å²	91	29%	0.291	51%	0.512	S	S	.	.			trans	-99.7	131.6	170.5	-171.9	0	0	0	0	111.3	F442 S446	F442-C444 PolarHBondContact O-N 2.55Å; F442-C444 VanDerWaalsContact O-N 3.16Å; C444-S446 PolarHBondContact O-N 2.77Å
445	D	62.6	Low	63.2	Low	124 Å²	124	86.6 Å²	86.6	66%	0.663	49%	0.487	S	S	*	.			trans	-58.4	124	175.6	-75.8	-31.5	0	0	0	109.9	D447 E448 L449	D445-D447 PolarHBondContact O-N 2.78Å; D445-E448 PolarHBondContact O-N 3.03Å; D445-L449 PolarHBondContact O-N 2.65Å
446	S	77	Confident	66	Low	76 Å²	76	81.4 Å²	81.4	53%	0.531	46%	0.455	S	S	.	.	H	α-helix	trans	-49.6	-30.7	178.1	174.8	0	0	0	0	112.3	C444 N450	C444-S446 PolarHBondContact O-N 2.77Å; S446-N450 WeakPolarHBondContact O-CB 3.46Å; S446-N450 PolarHBondContact O-N 2.84Å; S446-N450 VanDerWaalsContact O-N 3.08Å; S446-N450 PolarHBondContact O-ND2 3.46Å
447	D	83.4	Confident	68.5	Low	126 Å²	126	77.3 Å²	77.3	67%	0.674	43%	0.428	S	S	*	.	H	α-helix	trans	-70.9	-41.4	-179.6	-66	-24.1	0	0	0	113.1	D445 L449 N450 Q451	D445-D447 PolarHBondContact O-N 2.78Å; D447-L449 VanDerWaalsContact C-N 3.35Å; D447-N450 PolarHBondContact O-N 3.29Å; D447-Q451 WeakPolarHBondContact O-CB 3.28Å; D447-Q451 PolarHBondContact O-N 2.88Å
448	E	86	Confident	70.9	Confident	40 Å²	40	72 Å²	72	19%	0.187	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-40	178.7	-171.3	178.8	-158.8	0	0	110.9	D445 Q451 A452 I653 L656 R657	D445-E448 PolarHBondContact O-N 3.03Å; E448-Q451 PolarHBondContact O-N 3.07Å; E448-A452 WeakPolarHBondContact O-CB 3.3Å; E448-A452 PolarHBondContact O-N 3.29Å; E448-I653 HydrophobicContact CG-CG2 3.96Å; E448-L656 HydrophobicContact CG-CD2 4.3Å; E448-R657 VanDerWaalsContact OE1-CG 3.22Å; E448-R657 WeakPolarHBondContact OE1-CG 3.49Å; E448-R657 IonicContact OE1-CZ 2.7Å; E448-R657 IonicContact OE1-NE 2.77Å; E448-R657 PolarHBondContact OE1-NE 2.82Å; E448-R657 IonicContact OE1-NH2 2.72Å; E448-R657 IonicContact OE2-CZ 2.74Å; E448-R657 IonicContact OE2-NE 3.28Å; E448-R657 PolarHBondContact OE2-NE 2.83Å; E448-R657 IonicContact OE2-NH2 3.86Å; E448-R657 PolarHBondContact OE2-NH2 2.89Å
449	L	87.7	Confident	73.4	Confident	46 Å²	46	68.2 Å²	68.2	24%	0.241	37%	0.369	C	S	.	.	H	α-helix	trans	-58.3	-49.6	172.4	175.3	61.4	0	0	0	111.4	D445 D447 Q451 A452 I453 V649 I653	D445-L449 PolarHBondContact O-N 2.65Å; D447-L449 VanDerWaalsContact C-N 3.35Å; L449-Q451 VanDerWaalsContact C-N 3.29Å; L449-Q451 PolarHBondContact O-N 2.8Å; L449-A452 PolarHBondContact O-N 2.99Å; L449-I453 HydrophobicContact CD1-CD1 3.91Å; L449-I453 HydrophobicContact CD1-CG1 4.33Å; L449-I453 HydrophobicContact CG-CD1 4.01Å; L449-I453 VanDerWaalsContact O-CG1 3.26Å; L449-I453 WeakPolarHBondContact O-CG1 3.48Å; L449-I453 PolarHBondContact O-N 3.35Å; L449-V649 HydrophobicContact CD1-CB 4.05Å; L449-V649 HydrophobicContact CD1-CG1 3.12Å; L449-I653 HydrophobicContact CB-CD1 4.32Å; L449-I653 HydrophobicContact CD1-CD1 3.97Å
450	N	87.2	Confident	75.6	Confident	88 Å²	88	64.7 Å²	64.7	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-38.5	177.7	-74.9	-35	0	0	0	111.8	S446 D447 H454	S446-N450 WeakPolarHBondContact O-CB 3.46Å; S446-N450 PolarHBondContact O-N 2.84Å; S446-N450 VanDerWaalsContact O-N 3.08Å; S446-N450 PolarHBondContact O-ND2 3.46Å; D447-N450 PolarHBondContact O-N 3.29Å; N450-H454 WeakPolarHBondContact O-CB 3.43Å; N450-H454 PolarHBondContact O-N 2.74Å
451	Q	89	Confident	77.3	Confident	87 Å²	87	59.2 Å²	59.2	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-45.8	176.1	-169.8	176.3	38.4	0	0	111.6	D447 E448 L449 I453 H454 Y455 L656	D447-Q451 WeakPolarHBondContact O-CB 3.28Å; D447-Q451 PolarHBondContact O-N 2.88Å; E448-Q451 PolarHBondContact O-N 3.07Å; L449-Q451 VanDerWaalsContact C-N 3.29Å; L449-Q451 PolarHBondContact O-N 2.8Å; Q451-I453 VanDerWaalsContact C-N 3.35Å; Q451-I453 PolarHBondContact O-N 3.18Å; Q451-H454 WeakPolarHBondContact O-CB 3.5Å; Q451-H454 PolarHBondContact O-N 3.41Å; Q451-Y455 HydrophobicContact CG-CD2 3.69Å; Q451-Y455 HydrophobicContact CG-CE2 3.52Å; Q451-Y455 VanDerWaalsContact O-CD2 3.22Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.47Å; Q451-Y455 PolarHBondContact O-N 3.48Å; Q451-L656 HydrophobicContact CB-CD2 4.02Å; Q451-L656 HydrophobicContact CG-CD2 3.87Å
452	A	90.5	Very high	78.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.5	0	0	0	0	0	111.5	E448 L449 H454 Y455 A456 L583 L652 I653 L656	E448-A452 WeakPolarHBondContact O-CB 3.3Å; E448-A452 PolarHBondContact O-N 3.29Å; L449-A452 PolarHBondContact O-N 2.99Å; A452-H454 VanDerWaalsContact C-N 3.35Å; A452-H454 PolarHBondContact O-N 3.17Å; A452-Y455 PolarHBondContact O-N 3.1Å; A452-A456 WeakPolarHBondContact O-CB 3.35Å; A452-A456 PolarHBondContact O-N 3.44Å; A452-L583 WeakPolarHBondContact O-CD1 2.96Å; A452-L652 HydrophobicContact CB-CB 3.97Å; A452-I653 HydrophobicContact CB-CG1 3.86Å; A452-L656 HydrophobicContact CB-CB 4.38Å; A452-L656 HydrophobicContact CB-CD2 3.99Å
453	I	90.8	Very high	79.6	Confident	20 Å²	20	52.7 Å²	52.7	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-41.7	174.6	-67.6	169.7	0	0	0	110.9	V221 P223 L449 Q451 A456 R457 V649	V221-I453 HydrophobicContact CB-CG2 3.75Å; V221-I453 HydrophobicContact CG1-CG2 3.47Å; V221-I453 VanDerWaalsContact CG1-CG2 3.47Å; P223-I453 HydrophobicContact CG-CG1 4.07Å; L449-I453 HydrophobicContact CD1-CD1 3.91Å; L449-I453 HydrophobicContact CD1-CG1 4.33Å; L449-I453 HydrophobicContact CG-CD1 4.01Å; L449-I453 VanDerWaalsContact O-CG1 3.26Å; L449-I453 WeakPolarHBondContact O-CG1 3.48Å; L449-I453 PolarHBondContact O-N 3.35Å; Q451-I453 VanDerWaalsContact C-N 3.35Å; Q451-I453 PolarHBondContact O-N 3.18Å; I453-A456 WeakPolarHBondContact O-CB 3.39Å; I453-A456 PolarHBondContact O-N 3.43Å; I453-R457 WeakPolarHBondContact O-CG 3.46Å; I453-V649 HydrophobicContact CD1-CG1 4.45Å; I453-V649 HydrophobicContact CG1-CG1 4.17Å
454	H	89.4	Confident	79.7	Confident	55 Å²	55	55 Å²	55	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-53.7	176.4	175.7	-87.5	0	0	0	111.3	N450 Q451 A452 A456 R457	N450-H454 WeakPolarHBondContact O-CB 3.43Å; N450-H454 PolarHBondContact O-N 2.74Å; Q451-H454 WeakPolarHBondContact O-CB 3.5Å; Q451-H454 PolarHBondContact O-N 3.41Å; A452-H454 VanDerWaalsContact C-N 3.35Å; A452-H454 PolarHBondContact O-N 3.17Å; H454-A456 VanDerWaalsContact C-N 3.26Å; H454-A456 PolarHBondContact O-N 2.92Å; H454-R457 WeakPolarHBondContact O-CG 3.45Å; H454-R457 PolarHBondContact O-N 3.38Å; H454-R457 VanDerWaalsContact O-N 3.08Å
455	Y	90	Very high	79.4	Confident	18 Å²	18	58.2 Å²	58.2	7%	0.071	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-28.4	-179.7	-79.6	-69.9	0	0	0	113.6	Q451 A452 R457 V458 V582 L656 L664 S668	Q451-Y455 HydrophobicContact CG-CD2 3.69Å; Q451-Y455 HydrophobicContact CG-CE2 3.52Å; Q451-Y455 VanDerWaalsContact O-CD2 3.22Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.47Å; Q451-Y455 PolarHBondContact O-N 3.48Å; A452-Y455 PolarHBondContact O-N 3.1Å; Y455-R457 PolarHBondContact O-N 3.49Å; Y455-V458 PolarHBondContact O-N 3.43Å; Y455-V458 VanDerWaalsContact O-N 3.11Å; Y455-V582 HydrophobicContact CD1-CG1 4.33Å; Y455-L656 HydrophobicContact CD2-CD1 3.52Å; Y455-L656 HydrophobicContact CE2-CD1 4.02Å; Y455-L656 HydrophobicContact CG-CD1 4.18Å; Y455-L664 HydrophobicContact CD1-CD2 3.86Å; Y455-L664 HydrophobicContact CE1-CB 3.89Å; Y455-L664 HydrophobicContact CE1-CD2 3.89Å; Y455-L664 HydrophobicContact CE1-CG 4.41Å; Y455-L664 HydrophobicContact CG-CD2 4.22Å; Y455-S668 WeakPolarHBondContact CE1-OG 3.46Å; Y455-S668 VanDerWaalsContact CZ-OG 3.27Å; Y455-S668 PolarHBondContact OH-OG 3.06Å
456	A	90.6	Very high	78.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-27.6	174	0	0	0	0	0	112.9	V210 A452 I453 H454 L539 S581 L583 L652	V210-A456 HydrophobicContact CG2-CB 4.16Å; A452-A456 WeakPolarHBondContact O-CB 3.35Å; A452-A456 PolarHBondContact O-N 3.44Å; I453-A456 WeakPolarHBondContact O-CB 3.39Å; I453-A456 PolarHBondContact O-N 3.43Å; H454-A456 VanDerWaalsContact C-N 3.26Å; H454-A456 PolarHBondContact O-N 2.92Å; A456-L539 WeakPolarHBondContact O-CD1 3.45Å; A456-S581 WeakPolarHBondContact CA-OG 3.3Å; A456-S581 PolarHBondContact O-OG 3.48Å; A456-L583 HydrophobicContact CB-CD1 4.19Å; A456-L652 HydrophobicContact CB-CD1 3.89Å; A456-L652 HydrophobicContact CB-CD2 4.11Å
457	R	90.1	Very high	76.7	Confident	17 Å²	17	60.7 Å²	60.7	6%	0.064	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.9	-179.9	-27.9	-178.2	84.6	-171.5	-1.5	113.4	T212 I453 H454 Y455 L539	T212-R457 HydrophobicContact CG2-CG 3.97Å; T212-R457 PolarHBondContact OG1-NE 2.86Å; T212-R457 PolarHBondContact OG1-NH2 3.48Å; I453-R457 WeakPolarHBondContact O-CG 3.46Å; H454-R457 WeakPolarHBondContact O-CG 3.45Å; H454-R457 PolarHBondContact O-N 3.38Å; H454-R457 VanDerWaalsContact O-N 3.08Å; Y455-R457 PolarHBondContact O-N 3.49Å; R457-L539 VanDerWaalsContact C-CD1 3.44Å; R457-L539 WeakPolarHBondContact O-CD1 3.3Å
458	V	88.9	Confident	74.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-88.8	123.9	-177.8	-178.3	0	0	0	0	108.5	Y455 V582 F671	Y455-V458 PolarHBondContact O-N 3.43Å; Y455-V458 VanDerWaalsContact O-N 3.11Å; V458-V582 HydrophobicContact CB-CG2 3.89Å; V458-V582 HydrophobicContact CG1-CG2 3.61Å; V458-V582 WeakPolarHBondContact O-CG2 3.47Å; V458-V582 PolarHBondContact O-N 3.36Å; V458-F671 HydrophobicContact CG1-CB 3.76Å; V458-F671 HydrophobicContact CG1-CD1 4.29Å; V458-F671 HydrophobicContact CG1-CG 4.2Å; V458-F671 HydrophobicContact CG2-CD1 4.28Å
459	P	88.6	Confident	72.6	Confident	15 Å²	15	62.5 Å²	62.5	10%	0.097	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-67.5	142.7	170.7	-15.5	29.2	0	0	0	111.3	G461 L539 P578 C580 F671	P459-G461 VanDerWaalsContact C-N 3.28Å; P459-G461 PolarHBondContact O-N 3.35Å; P459-L539 HydrophobicContact CB-CD2 4.28Å; P459-L539 HydrophobicContact CG-CD1 4.43Å; P459-L539 HydrophobicContact CG-CD2 4.13Å; P459-P578 WeakPolarHBondContact CB-O 3.35Å; P459-C580 CarbonylContact C-O 3.5Å; P459-C580 WeakPolarHBondContact CA-O 3.5Å; P459-F671 HydrophobicContact CG-CE2 4.45Å
460	L	84.3	Confident	70.8	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	37%	0.367	C	S	.	.	S	Bend	trans	-67.4	-26.8	-175.8	179.8	61.7	0	0	0	113.4	T577 C580 V582 Q663	L460-T577 HydrophobicContact CD2-CG2 3.55Å; L460-T577 HydrophobicContact CG-CG2 3.95Å; L460-C580 PolarHBondContact N-O 3.18Å; L460-V582 HydrophobicContact CD1-CG2 4.44Å; L460-Q663 HydrophobicContact CD1-CG 4.26Å
461	G	73.7	Confident	69	Low	25 Å²	25	73.5 Å²	73.5	26%	0.258	39%	0.39	S	S	.	.	S	Bend	trans	-137.9	152.9	177.1	0	0	0	0	0	111	P459	P459-G461 VanDerWaalsContact C-N 3.28Å; P459-G461 PolarHBondContact O-N 3.35Å
462	Q	64.4	Low	67.7	Low	113 Å²	113	72.8 Å²	72.8	53%	0.528	41%	0.406	S	S	.	.			trans	-84.9	137.4	162.2	-70.3	-171.3	-17	0	0	108.6	K464 N670	Q462-K464 PolarHBondContact O-N 3.43Å; Q462-N670 HydrophobicContact CG-CB 4.35Å; Q462-N670 PolarHBondContact NE2-O 3.46Å
463	N	57.6	Low	66.6	Low	69 Å²	69	75.4 Å²	75.4	37%	0.369	42%	0.422	S	S	.	.			trans	-64.9	99.3	173	-147.6	6.4	0	0	0	107.1	S465	N463-S465 VanDerWaalsContact C-N 3.33Å; N463-S465 PolarHBondContact O-N 2.95Å
464	K	50.6	Low	66.3	Low	175 Å²	175	74.8 Å²	74.8	76%	0.761	42%	0.419	S	S	*	.			trans	-66.1	101.7	167.6	-70.3	-176.6	-178.6	179.4	0	104.9	Q462 N466	Q462-K464 PolarHBondContact O-N 3.43Å; K464-N466 PolarHBondContact O-N 3.39Å
465	S	46.1	Very low	66.5	Low	110 Å²	110	73.2 Å²	73.2	77%	0.769	41%	0.414	S	S	*	.			trans	-68.1	64	171.1	58.3	0	0	0	0	109.5	N463	N463-S465 VanDerWaalsContact C-N 3.33Å; N463-S465 PolarHBondContact O-N 2.95Å
466	N	39	Very low	66.7	Low	131 Å²	131	72.3 Å²	72.3	70%	0.701	41%	0.411	S	S	*	.			trans	-102	70.5	168.9	-76.2	7.3	0	0	0	106.6	K464	K464-N466 PolarHBondContact O-N 3.39Å
467	N	43.3	Very low	66.8	Low	121 Å²	121	74.8 Å²	74.8	65%	0.647	42%	0.421	S	S	*	.	S	Bend	trans	-153.3	109.6	150.3	-89.5	-34.7	0	0	0	103.8	T469	N467-T469 PolarHBondContact O-N 3.07Å; N467-T469 PolarHBondContact O-OG1 3.32Å
468	S	36.5	Very low	66.9	Low	130 Å²	130	77.2 Å²	77.2	91%	0.909	43%	0.433	S	S	*	.			trans	-54.9	82.3	162.2	50	0	0	0	0	107.5
469	T	46.1	Very low	67.2	Low	74 Å²	74	77.4 Å²	77.4	45%	0.454	43%	0.434	S	S	.	.			trans	-79.7	122.7	169.2	24.7	0	0	0	0	104.3	N467 E471 V473	N467-T469 PolarHBondContact O-N 3.07Å; N467-T469 PolarHBondContact O-OG1 3.32Å; T469-E471 PolarHBondContact O-N 3.4Å; T469-V473 HydrophobicContact CG2-CB 4.48Å
470	E	50.6	Low	67.5	Low	158 Å²	158	76.7 Å²	76.7	74%	0.738	43%	0.429	S	S	*	.			trans	-43.9	135.9	169.9	-65	178.3	157.4	0	0	108.8	G472 V473	E470-G472 PolarHBondContact O-N 3.45Å; E470-V473 HydrophobicContact CB-CG2 4.25Å; E470-V473 PolarHBondContact O-N 3.01Å; E470-V473 VanDerWaalsContact O-N 3.08Å
471	E	50.1	Low	67.9	Low	206 Å²	206	78.3 Å²	78.3	96%	0.963	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	113.3	-180	-75.2	-174.8	149.4	0	0	110.1	T469	T469-E471 PolarHBondContact O-N 3.4Å
472	G	60.3	Low	68.8	Low	72 Å²	72	80.2 Å²	80.2	74%	0.742	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.3	-6.3	177	0	0	0	0	0	116.7	E470 T474	E470-G472 PolarHBondContact O-N 3.45Å; G472-T474 PolarHBondContact O-N 3.3Å
473	V	68.7	Low	70.3	Confident	56 Å²	56	78 Å²	78	34%	0.339	43%	0.431	S	S	.	.			trans	-87.5	105.4	176.7	-174.2	0	0	0	0	111.1	T469 E470 H569	T469-V473 HydrophobicContact CG2-CB 4.48Å; E470-V473 HydrophobicContact CB-CG2 4.25Å; E470-V473 PolarHBondContact O-N 3.01Å; E470-V473 VanDerWaalsContact O-N 3.08Å; V473-H569 HydrophobicContact CG1-CB 4.24Å
474	T	84.2	Confident	72	Confident	7 Å²	7	75 Å²	75	4%	0.043	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.5	172.5	-70.5	0	0	0	0	110.8	G472 E478 K566 I568 H569	G472-T474 PolarHBondContact O-N 3.3Å; T474-E478 WeakPolarHBondContact CA-OE2 3.46Å; T474-E478 WeakPolarHBondContact CB-OE2 3.49Å; T474-E478 HydrophobicContact CG2-CB 4.23Å; T474-E478 VanDerWaalsContact CG2-OE2 3.3Å; T474-E478 WeakPolarHBondContact CG2-OE2 3.31Å; T474-E478 PolarHBondContact OG1-OE2 3.17Å; T474-K566 VanDerWaalsContact CB-CE 3.5Å; T474-K566 WeakPolarHBondContact OG1-CE 3.36Å; T474-K566 PolarHBondContact OG1-NZ 3.2Å; T474-I568 HydrophobicContact CG2-CD1 3.39Å; T474-I568 WeakPolarHBondContact O-CA 3.39Å; T474-H569 PolarHBondContact O-N 2.92Å
475	S	92.4	Very high	74	Confident	21 Å²	21	69.2 Å²	69.2	15%	0.147	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	164.1	175.9	69.6	0	0	0	0	112	Y477 E478 C479 H569	S475-Y477 PolarHBondContact O-N 3.38Å; S475-Y477 PolarHBondContact OG-N 2.86Å; S475-E478 WeakPolarHBondContact O-CB 3.46Å; S475-E478 PolarHBondContact O-N 3.29Å; S475-E478 VanDerWaalsContact O-N 3.12Å; S475-E478 PolarHBondContact OG-N 2.88Å; S475-C479 PolarHBondContact O-N 3.38Å; S475-C479 PolarHBondContact O-SG 2.91Å; S475-C479 VanDerWaalsContact O-SG 3.37Å; S475-H569 CarbonylContact C-O 3.5Å; S475-H569 WeakPolarHBondContact CA-O 3.43Å
476	I	94	Very high	76.3	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-31.7	171.8	-162	66.1	0	0	0	111.6	L233 C479 L480 I549 L551 I568 H569 F570 L574 L743	L233-I476 HydrophobicContact CD1-CD1 3.8Å; L233-I476 HydrophobicContact CD1-CG1 4.47Å; I476-C479 WeakPolarHBondContact O-CB 3.31Å; I476-C479 PolarHBondContact O-N 3.49Å; I476-L480 HydrophobicContact CG1-CD1 4.46Å; I476-L480 WeakPolarHBondContact O-CG 3.4Å; I476-L480 PolarHBondContact O-N 2.86Å; I476-I549 HydrophobicContact CD1-CG2 4.1Å; I476-I549 HydrophobicContact CG1-CD1 4.42Å; I476-L551 HydrophobicContact CD1-CD2 3.8Å; I476-I568 HydrophobicContact CD1-CG2 4.48Å; I476-H569 PolarHBondContact N-O 3.5Å; I476-F570 HydrophobicContact CB-CB 4.22Å; I476-F570 HydrophobicContact CG2-CB 4.3Å; I476-L574 HydrophobicContact CG2-CD1 3.88Å; I476-L743 HydrophobicContact CD1-CD1 3.9Å; I476-L743 HydrophobicContact CG1-CD1 4.4Å
477	Y	93.8	Very high	78.8	Confident	52 Å²	52	64.1 Å²	64.1	20%	0.204	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-38	174.7	-66.8	-85.4	0	0	0	112	S475 C479 S481 P571 L574 D575 F579	S475-Y477 PolarHBondContact O-N 3.38Å; S475-Y477 PolarHBondContact OG-N 2.86Å; Y477-C479 VanDerWaalsContact C-N 3.34Å; Y477-S481 WeakPolarHBondContact O-CB 3.49Å; Y477-S481 PolarHBondContact O-N 3.23Å; Y477-P571 HydrophobicContact CE2-CG 3.92Å; Y477-L574 HydrophobicContact CE1-CD1 3.94Å; Y477-L574 HydrophobicContact CE2-CD1 4.27Å; Y477-D575 WeakPolarHBondContact CE1-O 3.38Å; Y477-F579 AromaticContact CD1-CE2 3.86Å; Y477-F579 HydrophobicContact CD1-CE2 3.86Å; Y477-F579 AromaticContact CD1-CZ 3.9Å; Y477-F579 HydrophobicContact CD1-CZ 3.9Å; Y477-F579 HydrophobicContact CE1-CE2 4.49Å
478	E	92.8	Very high	81.3	Confident	68 Å²	68	60.3 Å²	60.3	32%	0.318	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-39.8	173.9	-164.6	-164.3	150	0	0	110.8	T474 S475 S481 K482	T474-E478 WeakPolarHBondContact CA-OE2 3.46Å; T474-E478 WeakPolarHBondContact CB-OE2 3.49Å; T474-E478 HydrophobicContact CG2-CB 4.23Å; T474-E478 VanDerWaalsContact CG2-OE2 3.3Å; T474-E478 WeakPolarHBondContact CG2-OE2 3.31Å; T474-E478 PolarHBondContact OG1-OE2 3.17Å; S475-E478 WeakPolarHBondContact O-CB 3.46Å; S475-E478 PolarHBondContact O-N 3.29Å; S475-E478 VanDerWaalsContact O-N 3.12Å; S475-E478 PolarHBondContact OG-N 2.88Å; E478-S481 PolarHBondContact O-N 3.42Å; E478-K482 WeakPolarHBondContact O-CG 3.46Å; E478-K482 PolarHBondContact O-N 3.42Å; E478-K482 VanDerWaalsContact OE1-CE 3.24Å; E478-K482 WeakPolarHBondContact OE1-CE 3.24Å; E478-K482 IonicContact OE1-NZ 3.74Å; E478-K482 PolarHBondContact OE1-NZ 3.24Å
479	C	94.6	Very high	84	Confident	3 Å²	3	55 Å²	55	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-44	177.6	-59.6	0	0	0	0	111.9	L233 S475 I476 Y477 K482 Y483	L233-C479 HydrophobicContact CB-CB 4.06Å; L233-C479 HydrophobicContact CD1-CB 3.83Å; S475-C479 PolarHBondContact O-N 3.38Å; S475-C479 PolarHBondContact O-SG 2.91Å; S475-C479 VanDerWaalsContact O-SG 3.37Å; I476-C479 WeakPolarHBondContact O-CB 3.31Å; I476-C479 PolarHBondContact O-N 3.49Å; Y477-C479 VanDerWaalsContact C-N 3.34Å; C479-K482 PolarHBondContact O-N 3.17Å; C479-Y483 WeakPolarHBondContact O-CB 3.49Å; C479-Y483 PolarHBondContact O-N 3.13Å
480	L	94.7	Very high	86.1	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-40.1	174.9	-74.7	166.4	0	0	0	111.8	L231 L233 I476 K482 Y483 T484 L574 F579	L231-L480 HydrophobicContact CD1-CD2 4.21Å; L233-L480 HydrophobicContact CD1-CD2 3.89Å; L233-L480 HydrophobicContact CD1-CG 3.93Å; L233-L480 HydrophobicContact CD2-CD2 4.07Å; I476-L480 HydrophobicContact CG1-CD1 4.46Å; I476-L480 WeakPolarHBondContact O-CG 3.4Å; I476-L480 PolarHBondContact O-N 2.86Å; L480-K482 PolarHBondContact O-N 2.99Å; L480-Y483 WeakPolarHBondContact O-CB 3.42Å; L480-Y483 PolarHBondContact O-N 2.59Å; L480-T484 PolarHBondContact O-N 3.35Å; L480-T484 PolarHBondContact O-OG1 3.3Å; L480-T484 VanDerWaalsContact O-OG1 3.11Å; L480-L574 HydrophobicContact CD1-CD1 4.33Å; L480-L574 HydrophobicContact CD1-CD2 4.49Å; L480-F579 HydrophobicContact CB-CD1 3.86Å; L480-F579 HydrophobicContact CB-CD2 3.81Å; L480-F579 HydrophobicContact CB-CE1 3.72Å; L480-F579 HydrophobicContact CB-CE2 3.67Å; L480-F579 HydrophobicContact CB-CG 3.91Å; L480-F579 HydrophobicContact CB-CZ 3.62Å; L480-F579 HydrophobicContact CD1-CD2 3.81Å; L480-F579 HydrophobicContact CD1-CE2 3.62Å; L480-F579 HydrophobicContact CD1-CZ 4.32Å; L480-F579 HydrophobicContact CG-CD2 4.31Å; L480-F579 HydrophobicContact CG-CE2 4.27Å
481	S	93.2	Very high	88.1	Confident	52 Å²	52	49.2 Å²	49.2	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-43.8	175.3	-173.9	0	0	0	0	111.8	Y477 E478 T484 S485	Y477-S481 WeakPolarHBondContact O-CB 3.49Å; Y477-S481 PolarHBondContact O-N 3.23Å; E478-S481 PolarHBondContact O-N 3.42Å; S481-T484 PolarHBondContact O-N 3.02Å; S481-S485 WeakPolarHBondContact O-CB 3.36Å; S481-S485 PolarHBondContact O-N 2.97Å
482	K	92.6	Very high	90	Very high	66 Å²	66	42.4 Å²	42.4	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-44	173.7	-73.9	175	-174	166.9	0	111.5	E478 C479 L480 T484 S485	E478-K482 WeakPolarHBondContact O-CG 3.46Å; E478-K482 PolarHBondContact O-N 3.42Å; E478-K482 VanDerWaalsContact OE1-CE 3.24Å; E478-K482 WeakPolarHBondContact OE1-CE 3.24Å; E478-K482 IonicContact OE1-NZ 3.74Å; E478-K482 PolarHBondContact OE1-NZ 3.24Å; C479-K482 PolarHBondContact O-N 3.17Å; L480-K482 PolarHBondContact O-N 2.99Å; K482-T484 VanDerWaalsContact C-N 3.31Å; K482-T484 PolarHBondContact O-N 2.96Å; K482-S485 PolarHBondContact O-N 2.72Å; K482-S485 PolarHBondContact O-OG 2.8Å
483	Y	94.5	Very high	91.5	Very high	67 Å²	67	41.6 Å²	41.6	26%	0.263	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-38.4	178.6	-176.3	-88.3	0	0	0	112.8	L209 L231 L233 C479 L480	L209-Y483 HydrophobicContact CD1-CE1 4.43Å; L209-Y483 VanDerWaalsContact CD1-OH 3.31Å; L209-Y483 WeakPolarHBondContact CD1-OH 3.15Å; L209-Y483 HydrophobicContact CD2-CE1 4.36Å; L231-Y483 HydrophobicContact CD2-CE1 4.05Å; L233-Y483 HydrophobicContact CD2-CD2 3.73Å; L233-Y483 HydrophobicContact CD2-CG 3.74Å; C479-Y483 WeakPolarHBondContact O-CB 3.49Å; C479-Y483 PolarHBondContact O-N 3.13Å; L480-Y483 WeakPolarHBondContact O-CB 3.42Å; L480-Y483 PolarHBondContact O-N 2.59Å
484	T	94.7	Very high	92.5	Very high	6 Å²	6	44 Å²	44	4%	0.037	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4.2	-179.6	61.9	0	0	0	0	114.9	L480 S481 K482 R537 D538 L539 F579	L480-T484 PolarHBondContact O-N 3.35Å; L480-T484 PolarHBondContact O-OG1 3.3Å; L480-T484 VanDerWaalsContact O-OG1 3.11Å; S481-T484 PolarHBondContact O-N 3.02Å; K482-T484 VanDerWaalsContact C-N 3.31Å; K482-T484 PolarHBondContact O-N 2.96Å; T484-R537 VanDerWaalsContact O-CZ 3.3Å; T484-R537 PolarHBondContact O-NE 2.85Å; T484-R537 VanDerWaalsContact O-NE 3.08Å; T484-R537 PolarHBondContact O-NH2 2.99Å; T484-R537 VanDerWaalsContact O-NH2 3.12Å; T484-D538 VanDerWaalsContact CA-O 3.28Å; T484-D538 WeakPolarHBondContact CA-O 3.21Å; T484-D538 WeakPolarHBondContact CB-O 3.42Å; T484-D538 WeakPolarHBondContact CG2-O 3.04Å; T484-L539 HydrophobicContact CG2-CD2 4.23Å; T484-F579 HydrophobicContact CG2-CB 3.9Å
485	S	92.6	Very high	92.9	Very high	52 Å²	52	46.6 Å²	46.6	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-72.5	157.1	173.8	71.7	0	0	0	0	111.1	S481 K482	S481-S485 WeakPolarHBondContact O-CB 3.36Å; S481-S485 PolarHBondContact O-N 2.97Å; K482-S485 PolarHBondContact O-N 2.72Å; K482-S485 PolarHBondContact O-OG 2.8Å
486	A	93	Very high	92.9	Very high	18 Å²	18	49.4 Å²	49.4	15%	0.149	27%	0.267	C	S	.	.			trans	-74.3	130.4	174	0	0	0	0	0	110.1	I535 K536 R537 L683	A486-I535 HydrophobicContact CB-CG2 3.83Å; A486-K536 WeakPolarHBondContact CA-O 3.4Å; A486-R537 HydrophobicContact CB-CB 4.38Å; A486-L683 HydrophobicContact CB-CD1 4.09Å
487	E	92.4	Very high	92.7	Very high	116 Å²	116	49.9 Å²	49.9	54%	0.542	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136	178.5	-176.8	179.8	-175.5	0	0	110.4	L489 I535 K536	E487-L489 HydrophobicContact CG-CD2 4.26Å; E487-I535 CarbonylContact O-C 3.57Å; E487-I535 WeakPolarHBondContact O-CA 3.48Å; E487-K536 PolarHBondContact N-O 3.13Å; E487-K536 PolarHBondContact O-N 3.19Å
488	L	94.9	Very high	92.5	Very high	41 Å²	41	50.2 Å²	50.2	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.7	173.3	-179.4	67.1	0	0	0	110.7	T490 I535 L683	L488-T490 HydrophobicContact CD1-CG2 4.22Å; L488-T490 HydrophobicContact CD2-CG2 3.69Å; L488-T490 HydrophobicContact CG-CG2 3.6Å; L488-I535 HydrophobicContact CD1-CG1 3.91Å; L488-L683 HydrophobicContact CB-CB 4.16Å; L488-L683 HydrophobicContact CB-CD2 4.27Å; L488-L683 HydrophobicContact CD2-CB 4.44Å; L488-L683 VanDerWaalsContact CD2-O 3.29Å; L488-L683 WeakPolarHBondContact CD2-O 3.43Å
489	L	93.1	Very high	92.4	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.099	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.6	174.1	-51.2	-179.5	0	0	0	109.9	E487 N493 L495 D533 T534 K536	E487-L489 HydrophobicContact CG-CD2 4.26Å; L489-N493 HydrophobicContact CB-CB 4.3Å; L489-N493 WeakPolarHBondContact CB-O 3.17Å; L489-L495 HydrophobicContact CD1-CD1 3.96Å; L489-L495 HydrophobicContact CD1-CG 4.34Å; L489-D533 WeakPolarHBondContact O-CA 3.25Å; L489-T534 WeakPolarHBondContact CB-O 3.47Å; L489-T534 PolarHBondContact N-O 2.93Å; L489-T534 PolarHBondContact O-N 2.91Å; L489-T534 VanDerWaalsContact O-N 3.11Å; L489-K536 HydrophobicContact CD1-CB 3.84Å; L489-K536 HydrophobicContact CD1-CD 4.25Å; L489-K536 HydrophobicContact CG-CB 4.13Å
490	T	92	Very high	92.2	Very high	62 Å²	62	50.2 Å²	50.2	38%	0.38	28%	0.281	S	S	.	.			trans	-133.6	175.6	-179.2	58.7	0	0	0	0	111.6	L488 S492 N493 D533	L488-T490 HydrophobicContact CD1-CG2 4.22Å; L488-T490 HydrophobicContact CD2-CG2 3.69Å; L488-T490 HydrophobicContact CG-CG2 3.6Å; T490-S492 PolarHBondContact O-N 3.42Å; T490-N493 PolarHBondContact O-N 3.46Å; T490-D533 WeakPolarHBondContact CA-OD1 3.35Å; T490-D533 HydrophobicContact CG2-CB 4.12Å; T490-D533 WeakPolarHBondContact CG2-OD1 3.38Å
491	G	91.1	Very high	92	Very high	49 Å²	49	51.7 Å²	51.7	51%	0.505	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	63	-122.9	174.9	0	0	0	0	0	112.1	N493 R494	G491-N493 PolarHBondContact O-N 2.96Å; G491-R494 WeakPolarHBondContact O-CD 3.37Å; G491-R494 WeakPolarHBondContact O-CG 3.41Å
492	S	90.4	Very high	91.8	Very high	63 Å²	63	55 Å²	55	44%	0.441	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-67.7	-13.9	173.6	56	0	0	0	0	112.8	R398 T490	R398-S492 PolarHBondContact NE-O 3.04Å; R398-S492 PolarHBondContact NH2-O 2.84Å; T490-S492 PolarHBondContact O-N 3.42Å
493	N	91.3	Very high	91.4	Very high	55 Å²	55	56.5 Å²	56.5	29%	0.294	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-100	10.3	-175	-62.3	-17.2	0	0	0	113.3	R398 L489 T490 G491	R398-N493 VanDerWaalsContact CG-OD1 3.22Å; R398-N493 WeakPolarHBondContact CG-OD1 3.36Å; L489-N493 HydrophobicContact CB-CB 4.3Å; L489-N493 WeakPolarHBondContact CB-O 3.17Å; T490-N493 PolarHBondContact O-N 3.46Å; G491-N493 PolarHBondContact O-N 2.96Å
494	R	90.7	Very high	90.9	Very high	107 Å²	107	57.9 Å²	57.9	40%	0.404	31%	0.313	S	S	.	.			trans	-58.7	147.6	173.4	-70.3	174.6	176.9	-178.5	-2.1	112.1	G491 L531 Q532 D533	G491-R494 WeakPolarHBondContact O-CD 3.37Å; G491-R494 WeakPolarHBondContact O-CG 3.41Å; R494-L531 HydrophobicContact CB-CB 4.04Å; R494-Q532 WeakPolarHBondContact CA-O 3.32Å; R494-Q532 WeakPolarHBondContact CB-O 3.23Å; R494-D533 VanDerWaalsContact CG-OD1 3.29Å; R494-D533 WeakPolarHBondContact CG-OD1 3.4Å; R494-D533 IonicContact CZ-OD1 3.6Å; R494-D533 IonicContact NE-OD1 3.4Å; R494-D533 PolarHBondContact NE-OD1 3.3Å; R494-D533 IonicContact NH2-OD1 2.72Å; R494-D533 PolarHBondContact NH2-OD1 2.95Å; R494-D533 IonicContact NH2-OD2 3.34Å
495	L	91.6	Very high	90.2	Very high	60 Å²	60	59.4 Å²	59.4	31%	0.314	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.9	-178.5	-58.3	-179.9	0	0	0	111.7	I213 L489 L531 Q532 T534	I213-L495 HydrophobicContact CD1-CD1 3.92Å; I213-L495 HydrophobicContact CG1-CD1 4.34Å; I213-L495 HydrophobicContact CG2-CD1 3.75Å; L489-L495 HydrophobicContact CD1-CD1 3.96Å; L489-L495 HydrophobicContact CD1-CG 4.34Å; L495-L531 WeakPolarHBondContact O-CA 3.24Å; L495-Q532 PolarHBondContact N-O 3.49Å; L495-Q532 VanDerWaalsContact N-O 3.13Å; L495-Q532 PolarHBondContact O-N 2.78Å; L495-T534 HydrophobicContact CB-CG2 3.89Å; L495-T534 HydrophobicContact CD1-CG2 4.42Å; L495-T534 HydrophobicContact CG-CG2 4.41Å
496	I	91.9	Very high	89.7	Confident	80 Å²	80	61.2 Å²	61.2	41%	0.41	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133	175.9	-62	168.4	0	0	0	109.1	D529 I530 L531	I496-D529 HydrophobicContact CB-CB 4.42Å; I496-D529 HydrophobicContact CD1-CB 3.7Å; I496-D529 HydrophobicContact CG1-CB 3.82Å; I496-D529 HydrophobicContact CG2-CB 3.75Å; I496-I530 WeakPolarHBondContact CA-O 3.42Å; I496-L531 HydrophobicContact CG1-CD2 3.64Å
497	C	91.1	Very high	89	Confident	11 Å²	11	64.3 Å²	64.3	7%	0.074	34%	0.343	C	S	.	.			trans	-114.3	102.5	174	-178.9	0	0	0	0	111.1	C215 V499 C500 T501 I530 Q532	C215-C497 HydrophobicContact CB-CB 4.41Å; C497-V499 PolarHBondContact O-N 2.85Å; C497-V499 VanDerWaalsContact O-N 3.13Å; C497-C500 HydrophobicContact CB-CB 3.99Å; C497-C500 PolarHBondContact O-N 2.81Å; C497-T501 PolarHBondContact O-N 2.81Å; C497-T501 PolarHBondContact O-OG1 3.34Å; C497-T501 VanDerWaalsContact O-OG1 3.07Å; C497-I530 PolarHBondContact N-O 3.46Å; C497-Q532 HydrophobicContact CB-CB 4.25Å; C497-Q532 HydrophobicContact CB-CG 3.91Å
498	D	89.5	Confident	88.1	Confident	59 Å²	59	62 Å²	62	32%	0.316	33%	0.332	S	S	.	.	H	α-helix	trans	-58.9	-31.7	-177.4	-43.9	-17.4	0	0	0	113.4	R222 T501 K502	R222-D498 IonicContact CZ-OD2 2.74Å; R222-D498 IonicContact NH1-OD1 3.45Å; R222-D498 IonicContact NH1-OD2 3.24Å; R222-D498 PolarHBondContact NH1-OD2 3Å; R222-D498 IonicContact NH2-OD2 2.72Å; R222-D498 PolarHBondContact NH2-OD2 2.77Å; D498-T501 PolarHBondContact O-N 2.84Å; D498-K502 VanDerWaalsContact O-CB 3.29Å; D498-K502 WeakPolarHBondContact O-CB 3.41Å; D498-K502 WeakPolarHBondContact O-CG 3.44Å; D498-K502 PolarHBondContact O-N 3.33Å
499	V	90.5	Very high	87	Confident	59 Å²	59	65 Å²	65	36%	0.358	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-45.7	177.5	178.9	0	0	0	0	110	C218 T220 C497 K502 Q503	C218-V499 HydrophobicContact CB-CG1 4.35Å; T220-V499 HydrophobicContact CG2-CG2 4.07Å; C497-V499 PolarHBondContact O-N 2.85Å; C497-V499 VanDerWaalsContact O-N 3.13Å; V499-K502 PolarHBondContact O-N 3.12Å; V499-Q503 WeakPolarHBondContact O-CB 3.15Å; V499-Q503 PolarHBondContact O-N 3.35Å
500	C	90.8	Very high	85.8	Confident	12 Å²	12	69.2 Å²	69.2	8%	0.081	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-41.7	175.7	-64.9	0	0	0	0	111.1	C497 K502 Q503 K504 I530 Q532	C497-C500 HydrophobicContact CB-CB 3.99Å; C497-C500 PolarHBondContact O-N 2.81Å; C500-K502 VanDerWaalsContact C-N 3.33Å; C500-K502 PolarHBondContact O-N 3.31Å; C500-Q503 PolarHBondContact O-N 2.92Å; C500-K504 PolarHBondContact O-N 2.95Å; C500-I530 HydrophobicContact CB-CD1 4.46Å; C500-I530 HydrophobicContact CB-CG2 4.41Å; C500-I530 VanDerWaalsContact O-CD1 3.29Å; C500-I530 WeakPolarHBondContact O-CD1 3.4Å; C500-Q532 HydrophobicContact CB-CG 4.32Å
501	T	90	Very high	84.4	Confident	31 Å²	31	70 Å²	70	19%	0.19	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-45	176.5	-55.9	0	0	0	0	111	C497 D498 S505 I530	C497-T501 PolarHBondContact O-N 2.81Å; C497-T501 PolarHBondContact O-OG1 3.34Å; C497-T501 VanDerWaalsContact O-OG1 3.07Å; D498-T501 PolarHBondContact O-N 2.84Å; T501-S505 PolarHBondContact O-N 2.91Å; T501-S505 VanDerWaalsContact O-N 3.14Å; T501-I530 PolarHBondContact OG1-N 2.88Å; T501-I530 VanDerWaalsContact OG1-N 3.16Å
502	K	88.2	Confident	83	Confident	121 Å²	121	72.7 Å²	72.7	53%	0.526	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-45.3	174.7	-74.1	176.1	-176.2	-176.6	0	111.9	D498 V499 C500 K504 S505 L506	D498-K502 VanDerWaalsContact O-CB 3.29Å; D498-K502 WeakPolarHBondContact O-CB 3.41Å; D498-K502 WeakPolarHBondContact O-CG 3.44Å; D498-K502 PolarHBondContact O-N 3.33Å; V499-K502 PolarHBondContact O-N 3.12Å; C500-K502 VanDerWaalsContact C-N 3.33Å; C500-K502 PolarHBondContact O-N 3.31Å; K502-K504 PolarHBondContact O-N 2.78Å; K502-S505 WeakPolarHBondContact O-CB 3.37Å; K502-S505 PolarHBondContact O-N 2.76Å; K502-S505 VanDerWaalsContact O-N 3.1Å; K502-S505 PolarHBondContact O-OG 3.15Å; K502-L506 WeakPolarHBondContact O-CG 3.37Å; K502-L506 PolarHBondContact O-N 3.03Å
503	Q	85.9	Confident	81.5	Confident	99 Å²	99	76 Å²	76	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-59.4	-47	-179.8	-172.6	60.3	43.1	0	0	111.5	V499 C500 S505 L506 D507	V499-Q503 WeakPolarHBondContact O-CB 3.15Å; V499-Q503 PolarHBondContact O-N 3.35Å; C500-Q503 PolarHBondContact O-N 2.92Å; Q503-S505 VanDerWaalsContact C-N 3.27Å; Q503-S505 PolarHBondContact O-N 3.11Å; Q503-L506 WeakPolarHBondContact O-CA 3.34Å; Q503-L506 WeakPolarHBondContact O-CB 3.45Å; Q503-L506 PolarHBondContact O-N 2.82Å; Q503-D507 PolarHBondContact NE2-OD1 3.11Å; Q503-D507 PolarHBondContact O-N 3.33Å
504	K	83.5	Confident	79.9	Confident	96 Å²	96	81 Å²	81	42%	0.417	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-36.3	176.4	-171.2	177.9	177.3	-175.6	0	112.4	C500 K502 L506 D507 E508 I530	C500-K504 PolarHBondContact O-N 2.95Å; K502-K504 PolarHBondContact O-N 2.78Å; K504-L506 PolarHBondContact O-N 2.86Å; K504-D507 PolarHBondContact O-N 3.29Å; K504-E508 VanDerWaalsContact CE-OE1 3.3Å; K504-E508 WeakPolarHBondContact CE-OE1 3.3Å; K504-E508 HydrophobicContact CG-CG 4.49Å; K504-E508 WeakPolarHBondContact O-CB 3.39Å; K504-E508 VanDerWaalsContact O-CG 3.31Å; K504-E508 WeakPolarHBondContact O-CG 3.27Å; K504-E508 PolarHBondContact O-N 3.46Å; K504-I530 HydrophobicContact CB-CD1 3.44Å; K504-I530 VanDerWaalsContact CB-CD1 3.44Å; K504-I530 HydrophobicContact CD-CD1 3.35Å; K504-I530 HydrophobicContact CD-CG1 4.1Å; K504-I530 HydrophobicContact CG-CD1 4.03Å
505	S	80.7	Confident	78.1	Confident	38 Å²	38	79 Å²	79	27%	0.266	42%	0.423	S	S	.	.	H	α-helix	trans	-63	-32.9	175.9	79.1	0	0	0	0	112.1	T501 K502 Q503 L509	T501-S505 PolarHBondContact O-N 2.91Å; T501-S505 VanDerWaalsContact O-N 3.14Å; K502-S505 WeakPolarHBondContact O-CB 3.37Å; K502-S505 PolarHBondContact O-N 2.76Å; K502-S505 VanDerWaalsContact O-N 3.1Å; K502-S505 PolarHBondContact O-OG 3.15Å; Q503-S505 VanDerWaalsContact C-N 3.27Å; Q503-S505 PolarHBondContact O-N 3.11Å; S505-L509 WeakPolarHBondContact O-CD1 3.35Å; S505-L509 VanDerWaalsContact O-CG 3.28Å; S505-L509 WeakPolarHBondContact O-CG 3.25Å; S505-L509 PolarHBondContact O-N 3Å
506	L	80.3	Confident	76	Confident	89 Å²	89	86.4 Å²	86.4	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-76	-45.9	174.5	-66	170.2	0	0	0	111.6	K502 Q503 K504 E508 L509 D510	K502-L506 WeakPolarHBondContact O-CG 3.37Å; K502-L506 PolarHBondContact O-N 3.03Å; Q503-L506 WeakPolarHBondContact O-CA 3.34Å; Q503-L506 WeakPolarHBondContact O-CB 3.45Å; Q503-L506 PolarHBondContact O-N 2.82Å; K504-L506 PolarHBondContact O-N 2.86Å; L506-E508 PolarHBondContact O-N 3.04Å; L506-L509 WeakPolarHBondContact O-CA 3.39Å; L506-L509 WeakPolarHBondContact O-CB 3.49Å; L506-L509 PolarHBondContact O-N 2.65Å; L506-D510 PolarHBondContact O-N 2.99Å
507	D	79.1	Confident	74	Confident	84 Å²	84	87.3 Å²	87.3	45%	0.449	47%	0.466	S	S	.	.	H	α-helix	trans	-59	-37	178.1	-59.3	-20.6	0	0	0	111.4	Q503 K504 S511	Q503-D507 PolarHBondContact NE2-OD1 3.11Å; Q503-D507 PolarHBondContact O-N 3.33Å; K504-D507 PolarHBondContact O-N 3.29Å; D507-S511 PolarHBondContact O-N 3.49Å; D507-S511 PolarHBondContact O-OG 2.93Å
508	E	74	Confident	71.6	Confident	66 Å²	66	95.3 Å²	95.3	31%	0.308	51%	0.505	S	S	.	.	H	α-helix	trans	-68.2	-33.9	173.8	-75.1	174.4	-173.9	0	0	112.6	K504 L506 S511 N512 K527	K504-E508 VanDerWaalsContact CE-OE1 3.3Å; K504-E508 WeakPolarHBondContact CE-OE1 3.3Å; K504-E508 HydrophobicContact CG-CG 4.49Å; K504-E508 WeakPolarHBondContact O-CB 3.39Å; K504-E508 VanDerWaalsContact O-CG 3.31Å; K504-E508 WeakPolarHBondContact O-CG 3.27Å; K504-E508 PolarHBondContact O-N 3.46Å; L506-E508 PolarHBondContact O-N 3.04Å; E508-S511 WeakPolarHBondContact CA-OG 3.47Å; E508-S511 PolarHBondContact O-OG 3.13Å; E508-N512 PolarHBondContact O-N 3.35Å; E508-N512 PolarHBondContact O-ND2 2.76Å; E508-K527 WeakPolarHBondContact OE2-CE 3.15Å; E508-K527 IonicContact OE2-NZ 2.62Å; E508-K527 PolarHBondContact OE2-NZ 3.4Å
509	L	70.5	Confident	69.6	Low	104 Å²	104	99.3 Å²	99.3	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-70.2	-41.2	175.8	-72.5	164.5	0	0	0	111.1	S505 L506 S511 N512 L513	S505-L509 WeakPolarHBondContact O-CD1 3.35Å; S505-L509 VanDerWaalsContact O-CG 3.28Å; S505-L509 WeakPolarHBondContact O-CG 3.25Å; S505-L509 PolarHBondContact O-N 3Å; L506-L509 WeakPolarHBondContact O-CA 3.39Å; L506-L509 WeakPolarHBondContact O-CB 3.49Å; L506-L509 PolarHBondContact O-N 2.65Å; L509-S511 VanDerWaalsContact C-N 3.35Å; L509-S511 PolarHBondContact O-N 3.05Å; L509-N512 PolarHBondContact O-N 3.14Å; L509-L513 PolarHBondContact O-N 2.99Å
510	D	69.5	Low	67.5	Low	109 Å²	109	106.2 Å²	106.2	58%	0.583	55%	0.551	S	S	*	*	H	α-helix	trans	-65.8	-37.9	177.8	-74.4	-16.2	0	0	0	111.9	L506 N512 L513	L506-D510 PolarHBondContact O-N 2.99Å; D510-N512 PolarHBondContact O-N 3.45Å; D510-L513 PolarHBondContact O-N 3.26Å
511	S	62.8	Low	65.4	Low	79 Å²	79	113.8 Å²	113.8	55%	0.552	59%	0.585	S	S	*	*	H	α-helix	trans	-66.7	-21.2	176	69	0	0	0	0	114.5	D507 E508 L509	D507-S511 PolarHBondContact O-N 3.49Å; D507-S511 PolarHBondContact O-OG 2.93Å; E508-S511 WeakPolarHBondContact CA-OG 3.47Å; E508-S511 PolarHBondContact O-OG 3.13Å; L509-S511 VanDerWaalsContact C-N 3.35Å; L509-S511 PolarHBondContact O-N 3.05Å
512	N	60.1	Low	63.1	Low	104 Å²	104	117.8 Å²	117.8	56%	0.556	61%	0.61	S	S	*	*	H	α-helix	trans	-91.5	-9.8	179.6	-76.2	-57.6	0	0	0	113.5	E508 L509 D510 D514 S515	E508-N512 PolarHBondContact O-N 3.35Å; E508-N512 PolarHBondContact O-ND2 2.76Å; L509-N512 PolarHBondContact O-N 3.14Å; D510-N512 PolarHBondContact O-N 3.45Å; N512-D514 VanDerWaalsContact C-N 3.32Å; N512-D514 PolarHBondContact O-N 3.16Å; N512-S515 PolarHBondContact O-N 3.49Å; N512-S515 PolarHBondContact O-OG 2.8Å; N512-S515 VanDerWaalsContact O-OG 3.08Å
513	L	59.9	Low	60.9	Low	133 Å²	133	117.5 Å²	117.5	70%	0.696	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-19.7	178.8	-75.7	167.4	0	0	0	113.4	L509 D510 S515	L509-L513 PolarHBondContact O-N 2.99Å; D510-L513 PolarHBondContact O-N 3.26Å; L513-S515 VanDerWaalsContact C-N 3.31Å; L513-S515 PolarHBondContact O-N 3.11Å
514	D	58.3	Low	58.9	Low	160 Å²	160	119 Å²	119	86%	0.856	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-6.5	176.3	-76.7	-22.3	0	0	0	114	N512	N512-D514 VanDerWaalsContact C-N 3.32Å; N512-D514 PolarHBondContact O-N 3.16Å
515	S	52.7	Low	57.6	Low	65 Å²	65	121.4 Å²	121.4	46%	0.455	65%	0.649	S	S	.	*	S	Bend	trans	-108.6	94.4	174.8	41.6	0	0	0	0	111.3	N512 L513 S517	N512-S515 PolarHBondContact O-N 3.49Å; N512-S515 PolarHBondContact O-OG 2.8Å; N512-S515 VanDerWaalsContact O-OG 3.08Å; L513-S515 VanDerWaalsContact C-N 3.31Å; L513-S515 PolarHBondContact O-N 3.11Å; S515-S517 VanDerWaalsContact C-N 3.29Å; S515-S517 PolarHBondContact O-N 3.12Å
516	K	46.4	Very low	56.7	Low	216 Å²	216	126.3 Å²	126.3	94%	0.939	67%	0.672	S	S	*	*			trans	-63.5	85.7	166.3	-77.3	-179.5	177.5	174.4	0	110.7
517	S	49.8	Very low	55.9	Low	99 Å²	99	127.4 Å²	127.4	69%	0.692	67%	0.673	S	S	*	*			trans	-146	104.4	155.1	59.2	0	0	0	0	108.7	S515 D519	S515-S517 VanDerWaalsContact C-N 3.29Å; S515-S517 PolarHBondContact O-N 3.12Å; S517-D519 PolarHBondContact O-N 3.06Å
518	M	41.5	Very low	55.6	Low	179 Å²	179	128.5 Å²	128.5	88%	0.882	69%	0.685	S	S	*	*			trans	-72.2	105.9	174.6	-67.1	-149.7	81.7	0	0	109.6
519	D	47.9	Very low	56.1	Low	142 Å²	142	130 Å²	130	76%	0.759	70%	0.695	S	S	*	*			trans	-130.7	116.1	153.1	-93.3	-33.3	0	0	0	108.3	S517 Q521	S517-D519 PolarHBondContact O-N 3.06Å; D519-Q521 VanDerWaalsContact C-N 3.34Å; D519-Q521 PolarHBondContact O-N 3.37Å
520	K	46	Very low	56.9	Low	204 Å²	204	126.5 Å²	126.5	89%	0.887	68%	0.677	S	S	*	*			trans	-66.6	90.2	174.4	-76.5	176	175.8	175.8	0	108.8
521	Q	46.2	Very low	57.9	Low	171 Å²	171	125.8 Å²	125.8	80%	0.799	67%	0.672	S	S	*	*			trans	-97.6	130.3	163	-72.4	-178.7	24.3	0	0	109.3	D519	D519-Q521 VanDerWaalsContact C-N 3.34Å; D519-Q521 PolarHBondContact O-N 3.37Å
522	T	42.3	Very low	59.2	Low	115 Å²	115	124.2 Å²	124.2	71%	0.706	66%	0.656	S	S	*	*			trans	-49	145.6	178.8	39.8	0	0	0	0	112.2	N524	T522-N524 PolarHBondContact O-N 3.24Å
523	P	42.8	Very low	60.8	Low	115 Å²	115	121.5 Å²	121.5	75%	0.747	64%	0.641	S	S	*	*			trans	-65.2	104	175.6	27.6	-30.6	0	0	0	107.9	N525	P523-N525 PolarHBondContact O-N 2.8Å; P523-N525 VanDerWaalsContact O-N 3.16Å
524	N	42.6	Very low	62.4	Low	132 Å²	132	115.3 Å²	115.3	71%	0.706	61%	0.609	S	S	*	*			trans	-75.5	104.7	175.9	-148.6	2	0	0	0	106.7	T522 N526	T522-N524 PolarHBondContact O-N 3.24Å; N524-N526 PolarHBondContact O-N 3.22Å
525	N	56.6	Low	64.2	Low	145 Å²	145	107.9 Å²	107.9	78%	0.775	57%	0.57	S	S	*	*	S	Bend	trans	-64.7	19.5	-174.9	-79.6	-16.1	0	0	0	115.3	P523	P523-N525 PolarHBondContact O-N 2.8Å; P523-N525 VanDerWaalsContact O-N 3.16Å
526	N	62	Low	66.2	Low	141 Å²	141	106.1 Å²	106.1	75%	0.754	55%	0.554	S	S	*	*			trans	-117	44.8	-175.1	-72.4	-14.2	0	0	0	112.3	N524	N524-N526 PolarHBondContact O-N 3.22Å
527	K	62.5	Low	68.5	Low	112 Å²	112	97.2 Å²	97.2	49%	0.487	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-76.8	132.2	168.2	-75.1	-165.7	-178.8	-165.6	0	109.2	E508 D529	E508-K527 WeakPolarHBondContact OE2-CE 3.15Å; E508-K527 IonicContact OE2-NZ 2.62Å; E508-K527 PolarHBondContact OE2-NZ 3.4Å; K527-D529 PolarHBondContact O-N 2.85Å
528	P	74.2	Confident	70.7	Confident	107 Å²	107	93.4 Å²	93.4	70%	0.695	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-71	131.8	-176.4	28	-33.5	0	0	0	111.1
529	D	83.7	Confident	73.3	Confident	99 Å²	99	84.9 Å²	84.9	53%	0.529	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-58.4	139.3	173	-71.5	-41.8	0	0	0	111.9	I496 K527 L531	I496-D529 HydrophobicContact CB-CB 4.42Å; I496-D529 HydrophobicContact CD1-CB 3.7Å; I496-D529 HydrophobicContact CG1-CB 3.82Å; I496-D529 HydrophobicContact CG2-CB 3.75Å; K527-D529 PolarHBondContact O-N 2.85Å; D529-L531 PolarHBondContact O-N 2.87Å
530	I	87.1	Confident	75.5	Confident	30 Å²	30	78.2 Å²	78.2	15%	0.154	41%	0.409	C	S	.	.			trans	-87.2	113	-179.8	-55.9	-178.9	0	0	0	109.9	I496 C497 C500 T501 K504 Q532	I496-I530 WeakPolarHBondContact CA-O 3.42Å; C497-I530 PolarHBondContact N-O 3.46Å; C500-I530 HydrophobicContact CB-CD1 4.46Å; C500-I530 HydrophobicContact CB-CG2 4.41Å; C500-I530 VanDerWaalsContact O-CD1 3.29Å; C500-I530 WeakPolarHBondContact O-CD1 3.4Å; T501-I530 PolarHBondContact OG1-N 2.88Å; T501-I530 VanDerWaalsContact OG1-N 3.16Å; K504-I530 HydrophobicContact CB-CD1 3.44Å; K504-I530 VanDerWaalsContact CB-CD1 3.44Å; K504-I530 HydrophobicContact CD-CD1 3.35Å; K504-I530 HydrophobicContact CD-CG1 4.1Å; K504-I530 HydrophobicContact CG-CD1 4.03Å; I530-Q532 HydrophobicContact CG2-CG 4.15Å; I530-Q532 VanDerWaalsContact CG2-NE2 3.31Å
531	L	90.6	Very high	77.8	Confident	94 Å²	94	68.9 Å²	68.9	49%	0.492	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.3	169.5	-64.3	173.7	0	0	0	110.5	R494 L495 I496 D529	R494-L531 HydrophobicContact CB-CB 4.04Å; L495-L531 WeakPolarHBondContact O-CA 3.24Å; I496-L531 HydrophobicContact CG1-CD2 3.64Å; D529-L531 PolarHBondContact O-N 2.87Å
532	Q	90.5	Very high	79.9	Confident	46 Å²	46	63.1 Å²	63.1	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.1	177.8	-68.7	-65.2	-15.7	0	0	110.6	C217 R494 L495 C497 C500 I530	C217-Q532 HydrophobicContact CB-CG 4.21Å; R494-Q532 WeakPolarHBondContact CA-O 3.32Å; R494-Q532 WeakPolarHBondContact CB-O 3.23Å; L495-Q532 PolarHBondContact N-O 3.49Å; L495-Q532 VanDerWaalsContact N-O 3.13Å; L495-Q532 PolarHBondContact O-N 2.78Å; C497-Q532 HydrophobicContact CB-CB 4.25Å; C497-Q532 HydrophobicContact CB-CG 3.91Å; C500-Q532 HydrophobicContact CB-CG 4.32Å; I530-Q532 HydrophobicContact CG2-CG 4.15Å; I530-Q532 VanDerWaalsContact CG2-NE2 3.31Å
533	D	94.3	Very high	82.3	Confident	46 Å²	46	58.1 Å²	58.1	25%	0.246	31%	0.31	C	S	.	.			trans	-64.1	138.6	163.7	-65.9	-28.3	0	0	0	108.1	C216 L489 T490 R494	C216-D533 HydrophobicContact CB-CB 4.26Å; C216-D533 VanDerWaalsContact CB-O 3.26Å; C216-D533 WeakPolarHBondContact CB-O 3.49Å; C216-D533 PolarHBondContact N-O 2.95Å; C216-D533 PolarHBondContact SG-O 3.33Å; C216-D533 VanDerWaalsContact SG-O 3.4Å; L489-D533 WeakPolarHBondContact O-CA 3.25Å; T490-D533 WeakPolarHBondContact CA-OD1 3.35Å; T490-D533 HydrophobicContact CG2-CB 4.12Å; T490-D533 WeakPolarHBondContact CG2-OD1 3.38Å; R494-D533 VanDerWaalsContact CG-OD1 3.29Å; R494-D533 WeakPolarHBondContact CG-OD1 3.4Å; R494-D533 IonicContact CZ-OD1 3.6Å; R494-D533 IonicContact NE-OD1 3.4Å; R494-D533 PolarHBondContact NE-OD1 3.3Å; R494-D533 IonicContact NH2-OD1 2.72Å; R494-D533 PolarHBondContact NH2-OD1 2.95Å; R494-D533 IonicContact NH2-OD2 3.34Å
534	T	93.4	Very high	84.7	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147	-175.1	59.3	0	0	0	0	111.8	I213 Q214 L489 L495	I213-T534 HydrophobicContact CG2-CG2 4.16Å; Q214-T534 CarbonylContact O-C 3.56Å; Q214-T534 WeakPolarHBondContact O-CA 3.02Å; Q214-T534 WeakPolarHBondContact O-CB 3.24Å; L489-T534 WeakPolarHBondContact CB-O 3.47Å; L489-T534 PolarHBondContact N-O 2.93Å; L489-T534 PolarHBondContact O-N 2.91Å; L489-T534 VanDerWaalsContact O-N 3.11Å; L495-T534 HydrophobicContact CB-CG2 3.89Å; L495-T534 HydrophobicContact CD1-CG2 4.42Å; L495-T534 HydrophobicContact CG-CG2 4.41Å
535	I	95.1	Very high	87	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.3	172.7	-60.9	168.7	0	0	0	108.3	I213 Q214 A486 E487 L488 T680 L683	I213-I535 CarbonylContact C-O 3.57Å; I213-I535 WeakPolarHBondContact CA-O 3.4Å; Q214-I535 HydrophobicContact CB-CB 4.44Å; Q214-I535 PolarHBondContact N-O 3.11Å; Q214-I535 PolarHBondContact O-N 3.11Å; A486-I535 HydrophobicContact CB-CG2 3.83Å; E487-I535 CarbonylContact O-C 3.57Å; E487-I535 WeakPolarHBondContact O-CA 3.48Å; L488-I535 HydrophobicContact CD1-CG1 3.91Å; I535-T680 HydrophobicContact CD1-CG2 3.36Å; I535-L683 HydrophobicContact CD1-CD1 4.46Å; I535-L683 HydrophobicContact CG2-CD1 4.24Å
536	K	94.8	Very high	88.7	Confident	28 Å²	28	40.9 Å²	40.9	12%	0.122	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.9	174.1	-174.6	-177.6	177.2	-170.6	0	109.2	T212 D400 A486 E487 L489 D538	T212-K536 CarbonylContact O-C 3.54Å; T212-K536 WeakPolarHBondContact O-CA 3.38Å; D400-K536 IonicContact OD2-NZ 3.16Å; D400-K536 PolarHBondContact OD2-NZ 2.81Å; A486-K536 WeakPolarHBondContact CA-O 3.4Å; E487-K536 PolarHBondContact N-O 3.13Å; E487-K536 PolarHBondContact O-N 3.19Å; L489-K536 HydrophobicContact CD1-CB 3.84Å; L489-K536 HydrophobicContact CD1-CD 4.25Å; L489-K536 HydrophobicContact CG-CB 4.13Å; K536-D538 WeakPolarHBondContact CE-OD1 3.49Å; K536-D538 WeakPolarHBondContact CE-OD2 3.38Å; K536-D538 IonicContact NZ-OD2 3.17Å
537	R	95.1	Very high	90.3	Very high	28 Å²	28	34.1 Å²	34.1	11%	0.106	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.2	171.6	-173.9	-179.6	-168.5	120.2	7.4	110.3	S211 T212 T484 A486 D679	S211-R537 CarbonylContact C-O 3.45Å; S211-R537 WeakPolarHBondContact CA-O 3.39Å; T212-R537 PolarHBondContact N-O 3.41Å; T212-R537 PolarHBondContact O-N 3.12Å; T212-R537 PolarHBondContact OG1-O 3.44Å; T484-R537 VanDerWaalsContact O-CZ 3.3Å; T484-R537 PolarHBondContact O-NE 2.85Å; T484-R537 VanDerWaalsContact O-NE 3.08Å; T484-R537 PolarHBondContact O-NH2 2.99Å; T484-R537 VanDerWaalsContact O-NH2 3.12Å; A486-R537 HydrophobicContact CB-CB 4.38Å; R537-D679 IonicContact NH1-OD2 2.67Å
538	D	95.7	Very high	92	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.4	-178.5	-58	-21.3	0	0	0	110	S211 T484 K536	S211-D538 WeakPolarHBondContact CA-OD1 3.36Å; S211-D538 WeakPolarHBondContact CB-OD1 3.23Å; S211-D538 PolarHBondContact OG-OD1 3.26Å; T484-D538 VanDerWaalsContact CA-O 3.28Å; T484-D538 WeakPolarHBondContact CA-O 3.21Å; T484-D538 WeakPolarHBondContact CB-O 3.42Å; T484-D538 WeakPolarHBondContact CG2-O 3.04Å; K536-D538 WeakPolarHBondContact CE-OD1 3.49Å; K536-D538 WeakPolarHBondContact CE-OD2 3.38Å; K536-D538 IonicContact NZ-OD2 3.17Å
539	L	95.9	Very high	93.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.1	175.5	-70.9	172	0	0	0	110.6	L209 V210 A456 R457 P459 T484 Y541	L209-L539 CarbonylContact C-O 3.53Å; L209-L539 VanDerWaalsContact CA-O 3.29Å; L209-L539 WeakPolarHBondContact CA-O 3.45Å; V210-L539 HydrophobicContact CG1-CB 4.05Å; V210-L539 PolarHBondContact N-O 3.02Å; V210-L539 PolarHBondContact O-N 2.53Å; V210-L539 VanDerWaalsContact O-N 3.07Å; A456-L539 WeakPolarHBondContact O-CD1 3.45Å; R457-L539 VanDerWaalsContact C-CD1 3.44Å; R457-L539 WeakPolarHBondContact O-CD1 3.3Å; P459-L539 HydrophobicContact CB-CD2 4.28Å; P459-L539 HydrophobicContact CG-CD1 4.43Å; P459-L539 HydrophobicContact CG-CD2 4.13Å; T484-L539 HydrophobicContact CG2-CD2 4.23Å; L539-Y541 PolarHBondContact O-N 3.43Å
540	I	94.7	Very high	93.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.7	177.7	-58.2	169.5	0	0	0	109	L209 L231 P543 I576 F579 C580 S581	L209-I540 HydrophobicContact CD2-CG1 3.92Å; L231-I540 HydrophobicContact CD1-CD1 4.05Å; I540-P543 HydrophobicContact CG2-CB 3.98Å; I540-I576 HydrophobicContact CD1-CD1 4.07Å; I540-F579 PolarHBondContact N-O 3.36Å; I540-F579 VanDerWaalsContact N-O 3.13Å; I540-C580 HydrophobicContact CB-CB 4.47Å; I540-C580 CarbonylContact O-C 3.51Å; I540-C580 WeakPolarHBondContact O-CA 3.24Å; I540-C580 WeakPolarHBondContact O-CB 3.44Å; I540-S581 PolarHBondContact O-N 3.46Å
541	Y	93.2	Very high	94.3	Very high	7 Å²	7	18.3 Å²	18.3	3%	0.027	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-43.6	178	179.9	-108.7	0	0	0	112.1	I208 F225 L539 L583 A584 V585 L647 L652	I208-Y541 HydrophobicContact CG2-CD1 4.33Å; I208-Y541 WeakPolarHBondContact O-CA 3.29Å; I208-Y541 WeakPolarHBondContact O-CB 3.23Å; I208-Y541 PolarHBondContact O-N 2.93Å; F225-Y541 AromaticContact CD1-CD1 3.94Å; F225-Y541 HydrophobicContact CD1-CD1 3.94Å; F225-Y541 HydrophobicContact CD1-CE1 4.39Å; F225-Y541 HydrophobicContact CD1-CG 4.28Å; F225-Y541 AromaticContact CE1-CD1 3.55Å; F225-Y541 HydrophobicContact CE1-CD1 3.55Å; F225-Y541 HydrophobicContact CE1-CD2 4.12Å; F225-Y541 AromaticContact CE1-CE1 3.7Å; F225-Y541 HydrophobicContact CE1-CE1 3.7Å; F225-Y541 HydrophobicContact CE1-CE2 4.24Å; F225-Y541 AromaticContact CE1-CG 3.78Å; F225-Y541 HydrophobicContact CE1-CG 3.78Å; F225-Y541 HydrophobicContact CZ-CE1 4.35Å; L539-Y541 PolarHBondContact O-N 3.43Å; Y541-L583 HydrophobicContact CE2-CB 4.14Å; Y541-L583 WeakPolarHBondContact CE2-O 3.38Å; Y541-A584 WeakPolarHBondContact O-CA 3.3Å; Y541-A584 WeakPolarHBondContact O-CB 3.32Å; Y541-V585 HydrophobicContact CE1-CG2 4.36Å; Y541-V585 PolarHBondContact O-N 3.48Å; Y541-L647 HydrophobicContact CD1-CD1 4.02Å; Y541-L647 HydrophobicContact CE1-CD1 3.71Å; Y541-L652 HydrophobicContact CD2-CD2 4.46Å; Y541-L652 HydrophobicContact CE2-CD2 3.97Å
542	K	91.3	Very high	94.5	Very high	50 Å²	50	18.8 Å²	18.8	22%	0.217	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110.4	170	-65.5	-169.5	-171.4	169.7	0	109.6	G207 I208 V585	G207-K542 CarbonylContact C-O 3.42Å; G207-K542 WeakPolarHBondContact CA-O 3.37Å; I208-K542 HydrophobicContact CB-CB 4.04Å; I208-K542 HydrophobicContact CB-CG 4.45Å; I208-K542 HydrophobicContact CD1-CD 3.92Å; I208-K542 HydrophobicContact CD1-CG 4.45Å; I208-K542 HydrophobicContact CG1-CB 4.26Å; I208-K542 PolarHBondContact N-O 3.36Å; I208-K542 PolarHBondContact O-N 2.86Å; K542-V585 HydrophobicContact CD-CG2 4.48Å; K542-V585 HydrophobicContact CG-CB 4.28Å; K542-V585 HydrophobicContact CG-CG2 4.11Å
543	P	92.2	Very high	94.6	Very high	11 Å²	11	16.8 Å²	16.8	7%	0.071	8%	0.08	C	C	.	.			trans	-75.3	139.1	178.2	32.8	-37.8	0	0	0	111	I540 I576 I591 Y593	I540-P543 HydrophobicContact CG2-CB 3.98Å; P543-I576 HydrophobicContact CB-CD1 3.79Å; P543-I591 HydrophobicContact CB-CG2 4.16Å; P543-I591 HydrophobicContact CG-CD1 4.26Å; P543-I591 HydrophobicContact CG-CG2 3.99Å; P543-Y593 WeakPolarHBondContact CB-OH 3.5Å
544	P	92.4	Very high	94.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.			trans	-74.6	151.7	-178.1	30.7	-35.8	0	0	0	112	F205 F228 I546 L547 Y593	F205-P544 WeakPolarHBondContact O-CB 3.49Å; F228-P544 HydrophobicContact CE2-CG 4.16Å; F228-P544 HydrophobicContact CZ-CG 4.34Å; P544-I546 WeakPolarHBondContact CB-O 3.35Å; P544-I546 WeakPolarHBondContact CG-O 3.34Å; P544-I546 PolarHBondContact O-N 3.45Å; P544-L547 HydrophobicContact CG-CB 4.17Å; P544-L547 HydrophobicContact CG-CD1 3.93Å; P544-Y593 WeakPolarHBondContact O-CE1 3.49Å; P544-Y593 PolarHBondContact O-OH 2.89Å
545	P	90.9	Very high	94	Very high	28 Å²	28	21.6 Å²	21.6	18%	0.182	10%	0.1	C	C	.	.	S	Bend	trans	-57.7	-36.5	170.9	-29	38.6	0	0	0	113.7	R203 L204 L639 R747	R203-P545 WeakPolarHBondContact O-CD 3.35Å; R203-P545 WeakPolarHBondContact O-CG 3.5Å; L204-P545 WeakPolarHBondContact O-CD 3.33Å; P545-L639 HydrophobicContact CB-CD2 4.46Å; P545-L639 HydrophobicContact CG-CD2 3.94Å; P545-R747 WeakPolarHBondContact O-CB 3.26Å; P545-R747 PolarHBondContact O-N 3.13Å
546	I	93.7	Very high	93.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.4	172.7	-60.9	175.4	0	0	0	108.6	P57 L204 F205 P544 Y596 Y745	P57-I546 HydrophobicContact CG-CD1 4.24Å; P57-I546 HydrophobicContact CG-CG1 4.39Å; L204-I546 HydrophobicContact CB-CD1 4.39Å; L204-I546 HydrophobicContact CD2-CD1 4.32Å; L204-I546 PolarHBondContact O-N 3.25Å; F205-I546 HydrophobicContact CD1-CB 4Å; F205-I546 HydrophobicContact CD1-CG2 3.69Å; F205-I546 HydrophobicContact CE1-CB 4.06Å; F205-I546 HydrophobicContact CE1-CD1 4.35Å; F205-I546 HydrophobicContact CE1-CG2 3.44Å; F205-I546 VanDerWaalsContact CE1-CG2 3.44Å; F205-I546 HydrophobicContact CZ-CD1 4.18Å; F205-I546 HydrophobicContact CZ-CG2 4.29Å; P544-I546 WeakPolarHBondContact CB-O 3.35Å; P544-I546 WeakPolarHBondContact CG-O 3.34Å; P544-I546 PolarHBondContact O-N 3.45Å; I546-Y596 HydrophobicContact CG2-CE1 4.1Å; I546-Y596 VanDerWaalsContact CG2-OH 3.3Å; I546-Y596 WeakPolarHBondContact CG2-OH 3.34Å; I546-Y745 CarbonylContact C-O 3.55Å; I546-Y745 WeakPolarHBondContact CA-O 3.46Å
547	L	95.9	Very high	92.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.5	177.8	179.7	64.2	0	0	0	109.8	F228 L231 P544 I549 L574 I576 Y593 Y745	F228-L547 HydrophobicContact CE2-CD1 4.29Å; L231-L547 HydrophobicContact CD1-CD1 3.95Å; L231-L547 HydrophobicContact CG-CD1 4.21Å; P544-L547 HydrophobicContact CG-CB 4.17Å; P544-L547 HydrophobicContact CG-CD1 3.93Å; L547-I549 HydrophobicContact CD1-CG1 4.44Å; L547-I549 HydrophobicContact CD2-CD1 3.94Å; L547-I549 HydrophobicContact CD2-CG1 4.15Å; L547-I549 HydrophobicContact CG-CD1 4.25Å; L547-I549 HydrophobicContact CG-CG1 3.9Å; L547-L574 HydrophobicContact CD2-CD2 4.3Å; L547-I576 HydrophobicContact CD2-CG2 3.97Å; L547-Y593 HydrophobicContact CB-CD1 3.78Å; L547-Y593 HydrophobicContact CB-CE1 3.42Å; L547-Y593 VanDerWaalsContact CB-CE1 3.42Å; L547-Y593 HydrophobicContact CD2-CE1 4.46Å; L547-Y593 HydrophobicContact CD2-CE2 4.46Å; L547-Y745 PolarHBondContact N-O 3.47Å; L547-Y745 PolarHBondContact O-N 3.38Å
548	T	97.6	Very high	92.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.1	171.3	-55.6	0	0	0	0	109.2	D230 L231 V742 L743 F744	D230-T548 CarbonylContact C-O 3.59Å; D230-T548 VanDerWaalsContact CA-O 3.24Å; D230-T548 WeakPolarHBondContact CA-O 3.49Å; D230-T548 HydrophobicContact CB-CG2 4.05Å; D230-T548 WeakPolarHBondContact CB-O 3.16Å; L231-T548 PolarHBondContact N-O 3.37Å; T548-V742 HydrophobicContact CG2-CG1 3.68Å; T548-L743 WeakPolarHBondContact CA-O 3.49Å; T548-F744 HydrophobicContact CG2-CD1 4.23Å; T548-F744 HydrophobicContact CG2-CE1 3.95Å; T548-F744 HydrophobicContact CG2-CZ 4.38Å
549	I	98.1	Very high	91.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.2	178.2	-53.4	178.1	0	0	0	109	L231 L233 I476 L547 L574 V742 L743 Y745	L231-I549 CarbonylContact O-C 3.58Å; L231-I549 WeakPolarHBondContact O-CA 3.19Å; L233-I549 HydrophobicContact CD1-CG2 3.4Å; L233-I549 HydrophobicContact CG-CG2 3.73Å; I476-I549 HydrophobicContact CD1-CG2 4.1Å; I476-I549 HydrophobicContact CG1-CD1 4.42Å; L547-I549 HydrophobicContact CD1-CG1 4.44Å; L547-I549 HydrophobicContact CD2-CD1 3.94Å; L547-I549 HydrophobicContact CD2-CG1 4.15Å; L547-I549 HydrophobicContact CG-CD1 4.25Å; L547-I549 HydrophobicContact CG-CG1 3.9Å; I549-L574 HydrophobicContact CD1-CD2 3.83Å; I549-V742 CarbonylContact O-C 3.5Å; I549-V742 WeakPolarHBondContact O-CA 3.49Å; I549-L743 HydrophobicContact CB-CB 4.3Å; I549-L743 PolarHBondContact N-O 3.49Å; I549-L743 PolarHBondContact O-N 2.82Å; I549-Y745 HydrophobicContact CD1-CD2 4.16Å; I549-Y745 HydrophobicContact CD1-CE2 4.23Å
550	H	97.8	Very high	91.2	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.065	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.1	173.2	162	-126.8	0	0	0	110	H147 L231 S232 L233 Y741	H147-H550 VanDerWaalsContact CD2-CB 3.47Å; H147-H550 WeakPolarHBondContact CD2-CB 3.39Å; H147-H550 AromaticContact CD2-CG 3.64Å; H147-H550 AromaticContact CE1-CE1 4Å; H147-H550 AromaticContact CE1-CG 3.73Å; H147-H550 AromaticContact CE1-ND1 3.33Å; H147-H550 PolarHBondContact CE1-ND1 3.36Å; H147-H550 VanDerWaalsContact CE1-ND1 3.33Å; H147-H550 AromaticContact CG-CD2 3.86Å; H147-H550 AromaticContact CG-CG 3.62Å; H147-H550 AromaticContact CG-ND1 3.79Å; H147-H550 AromaticContact ND1-CE1 3.6Å; H147-H550 AromaticContact ND1-CG 3.71Å; H147-H550 AromaticContact ND1-ND1 3.36Å; H147-H550 PolarHBondContact ND1-ND1 2.78Å; H147-H550 WeakPolarHBondContact NE2-CB 2.93Å; H147-H550 AromaticContact NE2-CG 3.71Å; H147-H550 AromaticContact NE2-ND1 3.76Å; L231-H550 PolarHBondContact O-N 3.25Å; S232-H550 CarbonylContact C-O 3.55Å; S232-H550 WeakPolarHBondContact CA-O 3.37Å; S232-H550 PolarHBondContact OG-ND1 2.79Å; L233-H550 PolarHBondContact N-O 3.46Å; H550-Y741 AromaticContact CD2-CE2 3.56Å; H550-Y741 AromaticContact CD2-CZ 3.63Å; H550-Y741 AromaticContact NE2-CE2 3.33Å; H550-Y741 VanDerWaalsContact NE2-CE2 3.33Å; H550-Y741 WeakPolarHBondContact NE2-CE2 3.47Å; H550-Y741 AromaticContact NE2-CZ 3.45Å; H550-Y741 PolarHBondContact NE2-OH 2.94Å
551	L	96.7	Very high	90.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.2	173.9	-64.2	178.9	0	0	0	108.9	L233 V235 I476 R553 I568 A740 Y741	L233-L551 HydrophobicContact CB-CD2 4.26Å; V235-L551 HydrophobicContact CG2-CB 3.8Å; V235-L551 HydrophobicContact CG2-CD2 4.36Å; I476-L551 HydrophobicContact CD1-CD2 3.8Å; L551-R553 HydrophobicContact CB-CG 4.33Å; L551-R553 PolarHBondContact O-N 3.28Å; L551-I568 HydrophobicContact CD1-CB 4.16Å; L551-I568 HydrophobicContact CD1-CG1 4.32Å; L551-I568 HydrophobicContact CD1-CG2 4.31Å; L551-A740 HydrophobicContact CD1-CB 4.45Å; L551-A740 WeakPolarHBondContact CD1-O 3.5Å; L551-Y741 PolarHBondContact N-O 2.91Å; L551-Y741 WeakPolarHBondContact O-CE2 3.03Å
552	K	94.3	Very high	90.4	Very high	105 Å²	105	53.2 Å²	53.2	46%	0.457	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	76.6	179.3	-65.7	-178.8	178	177.2	0	110.9	S232 L233	S232-K552 VanDerWaalsContact CB-CE 3.5Å; S232-K552 VanDerWaalsContact O-CE 3.28Å; S232-K552 WeakPolarHBondContact O-CE 2.88Å; L233-K552 WeakPolarHBondContact O-CB 3.32Å; L233-K552 PolarHBondContact O-N 3.46Å
553	R	92.9	Very high	90.4	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.011	26%	0.258	C	S	.	.			trans	-83	-29.1	-178.8	-70.4	-172.7	177.8	-73.3	-5.3	112.5	V235 L551 K563 S564 K566 A740 Y741	V235-R553 HydrophobicContact CG2-CG 4.35Å; L551-R553 HydrophobicContact CB-CG 4.33Å; L551-R553 PolarHBondContact O-N 3.28Å; R553-K563 HydrophobicContact CB-CG 4.26Å; R553-K563 CarbonylContact O-C 3.51Å; R553-K563 WeakPolarHBondContact O-CA 2.98Å; R553-S564 PolarHBondContact NH1-O 3.07Å; R553-S564 PolarHBondContact O-N 3.26Å; R553-K566 PolarHBondContact NH1-O 2.93Å; R553-K566 PolarHBondContact NH2-O 3.36Å; R553-A740 PolarHBondContact NE-O 3.48Å; R553-A740 PolarHBondContact NH2-O 3.23Å; R553-Y741 HydrophobicContact CB-CD2 4.32Å; R553-Y741 HydrophobicContact CB-CE2 4.49Å; R553-Y741 HydrophobicContact CG-CD2 4.27Å
554	F	89.2	Confident	90.2	Very high	34 Å²	34	53.5 Å²	53.5	15%	0.149	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.6	178.7	-55.9	-70.4	0	0	0	109.7	L561 R562 K563 H601 L605 Y741	F554-L561 HydrophobicContact CB-CD1 4.44Å; F554-R562 WeakPolarHBondContact CA-O 3.48Å; F554-K563 HydrophobicContact CD1-CB 3.94Å; F554-K563 HydrophobicContact CD1-CG 3.99Å; F554-K563 HydrophobicContact CE1-CB 3.96Å; F554-K563 HydrophobicContact CE1-CD 3.85Å; F554-K563 HydrophobicContact CE1-CG 3.73Å; F554-K563 HydrophobicContact CZ-CD 4.39Å; F554-K563 HydrophobicContact CZ-CG 4.5Å; F554-H601 AromaticContact CZ-CE1 3.82Å; F554-H601 AromaticContact CZ-ND1 3.5Å; F554-H601 WeakPolarHBondContact CZ-ND1 3.27Å; F554-L605 HydrophobicContact CD1-CB 4.25Å; F554-L605 HydrophobicContact CD1-CD1 4.5Å; F554-L605 HydrophobicContact CD2-CD1 4.25Å; F554-L605 HydrophobicContact CE1-CB 4.04Å; F554-L605 HydrophobicContact CE1-CD1 4.17Å; F554-L605 HydrophobicContact CE2-CD1 3.92Å; F554-L605 HydrophobicContact CZ-CD1 3.86Å; F554-Y741 HydrophobicContact CD2-CE2 4.01Å; F554-Y741 HydrophobicContact CE2-CD2 4.41Å; F554-Y741 HydrophobicContact CE2-CE1 4.44Å; F554-Y741 AromaticContact CE2-CE2 3.74Å; F554-Y741 HydrophobicContact CE2-CE2 3.74Å; F554-Y741 AromaticContact CE2-CZ 3.79Å
555	Q	86.1	Confident	89.9	Confident	117 Å²	117	58.4 Å²	58.4	55%	0.547	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.4	176	-174.6	175.6	7.3	0	0	108.9	V557 R562	Q555-V557 HydrophobicContact CG-CG2 4.17Å; Q555-R562 PolarHBondContact N-O 2.91Å; Q555-R562 PolarHBondContact O-N 3.49Å
556	Q	84.8	Confident	89.8	Confident	128 Å²	128	58.9 Å²	58.9	60%	0.598	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.5	170.1	-177	171.3	-14	0	0	108.9	G558 L561	Q556-G558 WeakPolarHBondContact CG-O 3.02Å; Q556-G558 PolarHBondContact NE2-O 3.31Å; Q556-G558 VanDerWaalsContact NE2-O 3.09Å; Q556-L561 HydrophobicContact CB-CD1 4.37Å
557	V	82.5	Confident	89.6	Confident	73 Å²	73	64.2 Å²	64.2	44%	0.442	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	100.4	175	-177.6	0	0	0	0	107.1	Q555 F559 Q560	Q555-V557 HydrophobicContact CG-CG2 4.17Å; V557-F559 PolarHBondContact O-N 3.31Å; V557-Q560 PolarHBondContact N-O 2.91Å; V557-Q560 PolarHBondContact O-N 3.38Å; V557-Q560 VanDerWaalsContact O-N 3.16Å
558	G	86.5	Confident	89.5	Confident	57 Å²	57	64.3 Å²	64.3	59%	0.588	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-124.3	-168.7	0	0	0	0	0	111	Q556	Q556-G558 WeakPolarHBondContact CG-O 3.02Å; Q556-G558 PolarHBondContact NE2-O 3.31Å; Q556-G558 VanDerWaalsContact NE2-O 3.09Å
559	F	82.1	Confident	89.4	Confident	155 Å²	155	68 Å²	68	68%	0.68	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.4	177	-58.6	-76.6	0	0	0	113.9	V557	V557-F559 PolarHBondContact O-N 3.31Å
560	Q	83.1	Confident	89.3	Confident	115 Å²	115	68 Å²	68	54%	0.537	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.4	-176.8	-68	-176.4	-3.9	0	0	111.2	V557	V557-Q560 PolarHBondContact N-O 2.91Å; V557-Q560 PolarHBondContact O-N 3.38Å; V557-Q560 VanDerWaalsContact O-N 3.16Å
561	L	84	Confident	89.1	Confident	80 Å²	80	68.5 Å²	68.5	42%	0.419	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.4	166.4	-168.3	76.7	0	0	0	109.7	F554 Q556 L605	F554-L561 HydrophobicContact CB-CD1 4.44Å; Q556-L561 HydrophobicContact CB-CD1 4.37Å; L561-L605 HydrophobicContact CD2-CB 3.43Å; L561-L605 VanDerWaalsContact CD2-CB 3.43Å; L561-L605 HydrophobicContact CD2-CD2 3.36Å; L561-L605 HydrophobicContact CD2-CG 4.02Å
562	R	86.2	Confident	89	Confident	145 Å²	145	68.9 Å²	68.9	55%	0.547	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143	177.9	-65.9	-172.2	176.2	-169.8	-0.4	110.6	F554 Q555	F554-R562 WeakPolarHBondContact CA-O 3.48Å; Q555-R562 PolarHBondContact N-O 2.91Å; Q555-R562 PolarHBondContact O-N 3.49Å
563	K	90.5	Very high	89	Confident	28 Å²	28	68.4 Å²	68.4	12%	0.122	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.6	172	-173.6	-171.4	172.9	-145.8	0	110	R553 F554 Q565 H601 G603	R553-K563 HydrophobicContact CB-CG 4.26Å; R553-K563 CarbonylContact O-C 3.51Å; R553-K563 WeakPolarHBondContact O-CA 2.98Å; F554-K563 HydrophobicContact CD1-CB 3.94Å; F554-K563 HydrophobicContact CD1-CG 3.99Å; F554-K563 HydrophobicContact CE1-CB 3.96Å; F554-K563 HydrophobicContact CE1-CD 3.85Å; F554-K563 HydrophobicContact CE1-CG 3.73Å; F554-K563 HydrophobicContact CZ-CD 4.39Å; F554-K563 HydrophobicContact CZ-CG 4.5Å; K563-Q565 PolarHBondContact O-N 2.56Å; K563-H601 PolarHBondContact NZ-O 3.44Å; K563-G603 VanDerWaalsContact CD-O 3.23Å; K563-G603 WeakPolarHBondContact CD-O 3.44Å
564	S	88.6	Confident	89.1	Confident	39 Å²	39	68.3 Å²	68.3	27%	0.273	33%	0.33	S	S	.	.			trans	-70.6	114.7	168.8	-179.4	0	0	0	0	110.3	R553 K566	R553-S564 PolarHBondContact NH1-O 3.07Å; R553-S564 PolarHBondContact O-N 3.26Å; S564-K566 WeakPolarHBondContact OG-CB 3.1Å; S564-K566 PolarHBondContact OG-N 2.85Å
565	Q	87.4	Confident	89.3	Confident	104 Å²	104	68.8 Å²	68.8	49%	0.486	33%	0.334	S	S	.	.			trans	-88.2	8.1	174.1	-59.8	-71.2	64.3	0	0	112.1	K563 R567	K563-Q565 PolarHBondContact O-N 2.56Å; Q565-R567 PolarHBondContact O-N 2.87Å
566	K	88	Confident	89.6	Confident	37 Å²	37	63.2 Å²	63.2	16%	0.161	31%	0.308	C	S	.	.			trans	-60.5	125	-179.8	-174.5	173.3	-177.2	-179	0	110.2	V235 E237 T474 R553 S564 I568	V235-K566 HydrophobicContact CG1-CB 4.05Å; V235-K566 HydrophobicContact CG1-CD 4.39Å; E237-K566 HydrophobicContact CG-CD 4.28Å; T474-K566 VanDerWaalsContact CB-CE 3.5Å; T474-K566 WeakPolarHBondContact OG1-CE 3.36Å; T474-K566 PolarHBondContact OG1-NZ 3.2Å; R553-K566 PolarHBondContact NH1-O 2.93Å; R553-K566 PolarHBondContact NH2-O 3.36Å; S564-K566 WeakPolarHBondContact OG-CB 3.1Å; S564-K566 PolarHBondContact OG-N 2.85Å; K566-I568 HydrophobicContact CD-CD1 4.37Å; K566-I568 HydrophobicContact CG-CD1 4.28Å
567	R	90.2	Very high	89.9	Confident	114 Å²	114	57.7 Å²	57.7	43%	0.43	28%	0.283	S	S	.	.			trans	-72.4	133.3	175.5	-174.8	172.2	167.3	134.2	-10.8	109.6	Q565 N737	Q565-R567 PolarHBondContact O-N 2.87Å; R567-N737 PolarHBondContact NH1-O 3.48Å; R567-N737 PolarHBondContact NH2-OD1 3.2Å
568	I	93.2	Very high	90.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.3	178.2	-58	-65	0	0	0	107.3	V235 T474 I476 L551 K566 F570	V235-I568 HydrophobicContact CG1-CD1 3.91Å; V235-I568 HydrophobicContact CG1-CG1 4.01Å; T474-I568 HydrophobicContact CG2-CD1 3.39Å; T474-I568 WeakPolarHBondContact O-CA 3.39Å; I476-I568 HydrophobicContact CD1-CG2 4.48Å; L551-I568 HydrophobicContact CD1-CB 4.16Å; L551-I568 HydrophobicContact CD1-CG1 4.32Å; L551-I568 HydrophobicContact CD1-CG2 4.31Å; K566-I568 HydrophobicContact CD-CD1 4.37Å; K566-I568 HydrophobicContact CG-CD1 4.28Å; I568-F570 VanDerWaalsContact O-CD1 3.29Å; I568-F570 WeakPolarHBondContact O-CD1 2.97Å
569	H	94.5	Very high	90.7	Very high	79 Å²	79	52.6 Å²	52.6	37%	0.366	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.4	176.2	-178	-90.6	0	0	0	110.1	V473 T474 S475 I476	V473-H569 HydrophobicContact CG1-CB 4.24Å; T474-H569 PolarHBondContact O-N 2.92Å; S475-H569 CarbonylContact C-O 3.5Å; S475-H569 WeakPolarHBondContact CA-O 3.43Å; I476-H569 PolarHBondContact N-O 3.5Å
570	F	95.9	Very high	91.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.208	C	C	.	.			trans	-130.6	137	175.9	52.9	-89.3	0	0	0	108.9	I476 I568 L595 V598 V735 L736 A740 L743	I476-F570 HydrophobicContact CB-CB 4.22Å; I476-F570 HydrophobicContact CG2-CB 4.3Å; I568-F570 VanDerWaalsContact O-CD1 3.29Å; I568-F570 WeakPolarHBondContact O-CD1 2.97Å; F570-L595 HydrophobicContact CD2-CD2 3.91Å; F570-L595 HydrophobicContact CE2-CD2 3.8Å; F570-V598 HydrophobicContact CE2-CG2 4.14Å; F570-V598 HydrophobicContact CZ-CG1 4.47Å; F570-V735 WeakPolarHBondContact CZ-O 3.31Å; F570-L736 HydrophobicContact CD2-CD2 4.27Å; F570-L736 HydrophobicContact CE2-CD2 4.17Å; F570-L736 WeakPolarHBondContact O-CD2 3.39Å; F570-A740 HydrophobicContact CD1-CB 3.92Å; F570-A740 HydrophobicContact CE1-CB 3.34Å; F570-A740 HydrophobicContact CZ-CB 3.82Å; F570-L743 HydrophobicContact CB-CD1 3.89Å; F570-L743 HydrophobicContact CB-CD2 4.41Å; F570-L743 HydrophobicContact CD1-CD1 4.35Å; F570-L743 HydrophobicContact CD1-CD2 3.99Å; F570-L743 HydrophobicContact CD2-CD2 3.63Å; F570-L743 HydrophobicContact CE1-CD2 4.19Å; F570-L743 HydrophobicContact CE2-CD2 3.82Å; F570-L743 HydrophobicContact CG-CD1 4.04Å; F570-L743 HydrophobicContact CG-CD2 3.73Å; F570-L743 HydrophobicContact CZ-CD2 4.1Å
571	P	95	Very high	91.5	Very high	23 Å²	23	39.7 Å²	39.7	15%	0.149	18%	0.183	C	C	.	.			trans	-84.7	161.9	-178.5	36.3	-36.9	0	0	0	111.8	Y477 Y573 L574 Y745	Y477-P571 HydrophobicContact CE2-CG 3.92Å; P571-Y573 VanDerWaalsContact C-N 3.35Å; P571-Y573 VanDerWaalsContact CB-O 3.24Å; P571-Y573 WeakPolarHBondContact CB-O 2.96Å; P571-Y573 WeakPolarHBondContact CG-O 3.33Å; P571-L574 HydrophobicContact CG-CB 4.19Å; P571-L574 HydrophobicContact CG-CD1 4.13Å; P571-Y745 PolarHBondContact O-OH 3.43Å
572	I	94.5	Very high	91.7	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.046	16%	0.164	C	C	.	.	S	Bend	trans	-65	-43.4	165.8	-62.3	-57.7	0	0	0	110.2	R594 L595 W719 Q732 L736	I572-R594 HydrophobicContact CG2-CG 4.37Å; I572-R594 CarbonylContact O-C 2.86Å; I572-R594 WeakPolarHBondContact O-CA 3.37Å; I572-L595 HydrophobicContact CD1-CB 4.42Å; I572-L595 HydrophobicContact CD1-CD2 4Å; I572-L595 PolarHBondContact O-N 3.36Å; I572-W719 HydrophobicContact CD1-CZ2 3.89Å; I572-Q732 HydrophobicContact CD1-CG 3.88Å; I572-Q732 HydrophobicContact CG1-CG 3.96Å; I572-L736 HydrophobicContact CD1-CD1 4.5Å; I572-L736 HydrophobicContact CD1-CD2 3.7Å; I572-L736 HydrophobicContact CD1-CG 4.16Å; I572-L736 HydrophobicContact CG1-CD1 4.25Å; I572-L736 HydrophobicContact CG1-CD2 3.99Å; I572-L736 HydrophobicContact CG1-CG 4.43Å
573	Y	94.3	Very high	91.8	Very high	95 Å²	95	29.2 Å²	29.2	37%	0.373	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.5	176.3	-62.7	-76.6	0	0	0	110.4	P571 Y593 R594 D715 I748	P571-Y573 VanDerWaalsContact C-N 3.35Å; P571-Y573 VanDerWaalsContact CB-O 3.24Å; P571-Y573 WeakPolarHBondContact CB-O 2.96Å; P571-Y573 WeakPolarHBondContact CG-O 3.33Å; Y573-Y593 CarbonylContact C-O 3.53Å; Y573-Y593 VanDerWaalsContact CA-O 3.25Å; Y573-Y593 WeakPolarHBondContact CA-O 3.16Å; Y573-R594 HydrophobicContact CD1-CB 4.23Å; Y573-R594 HydrophobicContact CD1-CG 4.5Å; Y573-R594 HydrophobicContact CE1-CB 4.15Å; Y573-R594 HydrophobicContact CE1-CG 4.11Å; Y573-D715 WeakPolarHBondContact OH-CB 3.29Å; Y573-I748 HydrophobicContact CD1-CD1 3.54Å; Y573-I748 HydrophobicContact CE1-CD1 3.77Å
574	L	94.4	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.3	-179	177.9	66.7	0	0	0	109.8	I476 Y477 L480 L547 I549 P571 I576 R592 Y593 Y745	I476-L574 HydrophobicContact CG2-CD1 3.88Å; Y477-L574 HydrophobicContact CE1-CD1 3.94Å; Y477-L574 HydrophobicContact CE2-CD1 4.27Å; L480-L574 HydrophobicContact CD1-CD1 4.33Å; L480-L574 HydrophobicContact CD1-CD2 4.49Å; L547-L574 HydrophobicContact CD2-CD2 4.3Å; I549-L574 HydrophobicContact CD1-CD2 3.83Å; P571-L574 HydrophobicContact CG-CB 4.19Å; P571-L574 HydrophobicContact CG-CD1 4.13Å; L574-I576 HydrophobicContact CD2-CG2 3.83Å; L574-I576 HydrophobicContact CG-CG2 3.84Å; L574-R592 CarbonylContact O-C 3.53Å; L574-R592 WeakPolarHBondContact O-CA 3.22Å; L574-Y593 PolarHBondContact N-O 2.98Å; L574-Y593 PolarHBondContact O-N 3.16Å; L574-Y745 HydrophobicContact CB-CD1 3.96Å; L574-Y745 HydrophobicContact CB-CE1 3.58Å; L574-Y745 HydrophobicContact CD2-CD1 4.43Å; L574-Y745 HydrophobicContact CD2-CD2 4.16Å; L574-Y745 HydrophobicContact CD2-CE1 4.3Å; L574-Y745 HydrophobicContact CD2-CE2 3.99Å; L574-Y745 HydrophobicContact CD2-CG 4.38Å
575	D	92.9	Very high	90.2	Very high	44 Å²	44	29.1 Å²	29.1	24%	0.235	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.2	168.2	-176.7	7.8	0	0	0	109.9	Y477 T577 R592	Y477-D575 WeakPolarHBondContact CE1-O 3.38Å; D575-T577 WeakPolarHBondContact OD1-CB 3.27Å; D575-T577 PolarHBondContact OD1-N 2.95Å; D575-T577 PolarHBondContact OD1-OG1 3.45Å; D575-R592 HydrophobicContact CB-CG 4.42Å
576	I	93.3	Very high	89	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.			trans	-98.6	0.1	178.5	69.2	164	0	0	0	113.6	I540 P543 L547 L574 P578 F579 C580 I591 Y593	I540-I576 HydrophobicContact CD1-CD1 4.07Å; P543-I576 HydrophobicContact CB-CD1 3.79Å; L547-I576 HydrophobicContact CD2-CG2 3.97Å; L574-I576 HydrophobicContact CD2-CG2 3.83Å; L574-I576 HydrophobicContact CG-CG2 3.84Å; I576-P578 VanDerWaalsContact C-N 3.3Å; I576-F579 HydrophobicContact CB-CD2 4.34Å; I576-F579 PolarHBondContact O-N 3.34Å; I576-C580 PolarHBondContact O-N 3.25Å; I576-I591 HydrophobicContact CD1-CG2 4.01Å; I576-I591 HydrophobicContact CG1-CB 3.91Å; I576-I591 HydrophobicContact CG1-CG2 3.76Å; I576-I591 PolarHBondContact N-O 3.31Å; I576-Y593 HydrophobicContact CD1-CD2 4.26Å; I576-Y593 HydrophobicContact CD1-CE2 3.41Å; I576-Y593 VanDerWaalsContact CD1-CE2 3.41Å; I576-Y593 HydrophobicContact CG1-CD2 4.13Å; I576-Y593 HydrophobicContact CG1-CE2 3.69Å; I576-Y593 HydrophobicContact CG2-CD2 4.2Å; I576-Y593 HydrophobicContact CG2-CE2 4.38Å
577	T	91.1	Very high	87.8	Confident	13 Å²	13	33.8 Å²	33.8	8%	0.08	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-47.9	-44.3	-177.5	-51	0	0	0	0	113.2	L460 D575 F579 C580 N589 Q590 I591	L460-T577 HydrophobicContact CD2-CG2 3.55Å; L460-T577 HydrophobicContact CG-CG2 3.95Å; D575-T577 WeakPolarHBondContact OD1-CB 3.27Å; D575-T577 PolarHBondContact OD1-N 2.95Å; D575-T577 PolarHBondContact OD1-OG1 3.45Å; T577-F579 PolarHBondContact O-N 3Å; T577-F579 VanDerWaalsContact O-N 3.1Å; T577-C580 PolarHBondContact O-N 2.87Å; T577-N589 WeakPolarHBondContact CG2-O 3.41Å; T577-Q590 WeakPolarHBondContact OG1-CA 3.38Å; T577-I591 PolarHBondContact OG1-N 3.42Å
578	P	91.4	Very high	86.6	Confident	19 Å²	19	29.8 Å²	29.8	12%	0.123	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-64.3	-15.5	179.8	-22.3	35.3	0	0	0	115.1	P459 I576	P459-P578 WeakPolarHBondContact CB-O 3.35Å; I576-P578 VanDerWaalsContact C-N 3.3Å
579	F	93.3	Very high	85.6	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.013	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-103.6	-2.3	-177.2	-47.6	-62.8	0	0	0	112.6	Y477 L480 T484 I540 I576 T577	Y477-F579 AromaticContact CD1-CE2 3.86Å; Y477-F579 HydrophobicContact CD1-CE2 3.86Å; Y477-F579 AromaticContact CD1-CZ 3.9Å; Y477-F579 HydrophobicContact CD1-CZ 3.9Å; Y477-F579 HydrophobicContact CE1-CE2 4.49Å; L480-F579 HydrophobicContact CB-CD1 3.86Å; L480-F579 HydrophobicContact CB-CD2 3.81Å; L480-F579 HydrophobicContact CB-CE1 3.72Å; L480-F579 HydrophobicContact CB-CE2 3.67Å; L480-F579 HydrophobicContact CB-CG 3.91Å; L480-F579 HydrophobicContact CB-CZ 3.62Å; L480-F579 HydrophobicContact CD1-CD2 3.81Å; L480-F579 HydrophobicContact CD1-CE2 3.62Å; L480-F579 HydrophobicContact CD1-CZ 4.32Å; L480-F579 HydrophobicContact CG-CD2 4.31Å; L480-F579 HydrophobicContact CG-CE2 4.27Å; T484-F579 HydrophobicContact CG2-CB 3.9Å; I540-F579 PolarHBondContact N-O 3.36Å; I540-F579 VanDerWaalsContact N-O 3.13Å; I576-F579 HydrophobicContact CB-CD2 4.34Å; I576-F579 PolarHBondContact O-N 3.34Å; T577-F579 PolarHBondContact O-N 3Å; T577-F579 VanDerWaalsContact O-N 3.1Å
580	C	92.5	Very high	84.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-87.7	151.7	174.4	-68.7	0	0	0	0	111.1	P459 L460 I540 I576 T577 A584 I591	P459-C580 CarbonylContact C-O 3.5Å; P459-C580 WeakPolarHBondContact CA-O 3.5Å; L460-C580 PolarHBondContact N-O 3.18Å; I540-C580 HydrophobicContact CB-CB 4.47Å; I540-C580 CarbonylContact O-C 3.51Å; I540-C580 WeakPolarHBondContact O-CA 3.24Å; I540-C580 WeakPolarHBondContact O-CB 3.44Å; I576-C580 PolarHBondContact O-N 3.25Å; T577-C580 PolarHBondContact O-N 2.87Å; C580-A584 HydrophobicContact CB-CB 3.86Å; C580-I591 HydrophobicContact CB-CD1 4Å; C580-I591 WeakPolarHBondContact SG-CD1 3.08Å
581	S	90.5	Very high	84.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-64	149.2	169.4	-178.4	0	0	0	0	110.3	A456 I540 L583 A584	A456-S581 WeakPolarHBondContact CA-OG 3.3Å; A456-S581 PolarHBondContact O-OG 3.48Å; I540-S581 PolarHBondContact O-N 3.46Å; S581-L583 PolarHBondContact O-N 3.45Å; S581-L583 PolarHBondContact OG-N 2.87Å; S581-A584 WeakPolarHBondContact O-CB 3.11Å; S581-A584 PolarHBondContact O-N 2.9Å
582	V	88.3	Confident	84.3	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.024	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.8	169.2	171.8	0	0	0	0	111.5	Y455 V458 L460 A584 L664 S667	Y455-V582 HydrophobicContact CD1-CG1 4.33Å; V458-V582 HydrophobicContact CB-CG2 3.89Å; V458-V582 HydrophobicContact CG1-CG2 3.61Å; V458-V582 WeakPolarHBondContact O-CG2 3.47Å; V458-V582 PolarHBondContact O-N 3.36Å; L460-V582 HydrophobicContact CD1-CG2 4.44Å; V582-A584 PolarHBondContact O-N 2.76Å; V582-L664 HydrophobicContact CG1-CD2 3.44Å; V582-L664 VanDerWaalsContact CG1-CD2 3.44Å; V582-S667 VanDerWaalsContact CG2-CB 3.47Å
583	L	87.6	Confident	84.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	4.7	175.9	-59.7	-178.1	0	0	0	113	A452 A456 Y541 S581 L652 R655 L656	A452-L583 WeakPolarHBondContact O-CD1 2.96Å; A456-L583 HydrophobicContact CB-CD1 4.19Å; Y541-L583 HydrophobicContact CE2-CB 4.14Å; Y541-L583 WeakPolarHBondContact CE2-O 3.38Å; S581-L583 PolarHBondContact O-N 3.45Å; S581-L583 PolarHBondContact OG-N 2.87Å; L583-L652 HydrophobicContact CD1-CB 4.2Å; L583-L652 HydrophobicContact CD1-CD2 3.94Å; L583-R655 HydrophobicContact CB-CG 4.15Å; L583-R655 WeakPolarHBondContact O-CG 3.37Å; L583-R655 PolarHBondContact O-NE 2.69Å; L583-L656 HydrophobicContact CD2-CB 4.21Å; L583-L656 HydrophobicContact CD2-CD1 4.18Å
584	A	79.7	Confident	84.3	Confident	3 Å²	3	37 Å²	37	3%	0.025	18%	0.176	C	C	.	.			trans	-57.7	146.8	-179.3	0	0	0	0	0	111.9	Y541 C580 S581 V582 T586 R655	Y541-A584 WeakPolarHBondContact O-CA 3.3Å; Y541-A584 WeakPolarHBondContact O-CB 3.32Å; C580-A584 HydrophobicContact CB-CB 3.86Å; S581-A584 WeakPolarHBondContact O-CB 3.11Å; S581-A584 PolarHBondContact O-N 2.9Å; V582-A584 PolarHBondContact O-N 2.76Å; A584-T586 PolarHBondContact O-N 2.96Å; A584-T586 VanDerWaalsContact O-N 3.16Å; A584-R655 PolarHBondContact O-NH2 2.79Å
585	V	66.1	Low	84.3	Confident	63 Å²	63	37 Å²	37	38%	0.382	18%	0.176	S	C	.	.			trans	-82.5	96.8	179.8	-177	0	0	0	0	108.9	Y541 K542	Y541-V585 HydrophobicContact CE1-CG2 4.36Å; Y541-V585 PolarHBondContact O-N 3.48Å; K542-V585 HydrophobicContact CD-CG2 4.48Å; K542-V585 HydrophobicContact CG-CB 4.28Å; K542-V585 HydrophobicContact CG-CG2 4.11Å
586	T	61.8	Low	84.4	Confident	25 Å²	25	35 Å²	35	15%	0.153	17%	0.165	C	C	.	.			trans	-133.1	144.1	172.3	65.5	0	0	0	0	110.5	A584 S588 I591	A584-T586 PolarHBondContact O-N 2.96Å; A584-T586 VanDerWaalsContact O-N 3.16Å; T586-S588 WeakPolarHBondContact CB-O 3.47Å; T586-S588 PolarHBondContact OG1-O 2.93Å; T586-I591 HydrophobicContact CG2-CD1 3.34Å; T586-I591 HydrophobicContact CG2-CG1 3.46Å; T586-I591 VanDerWaalsContact CG2-CG1 3.46Å
587	R	62.7	Low	84.6	Confident	213 Å²	213	35 Å²	35	80%	0.804	17%	0.165	S	C	*	.	S	Bend	trans	-83.9	-28.5	167.6	-71.4	-174.8	169.1	129.2	-3	111.3
588	S	66.4	Low	84.9	Confident	31 Å²	31	34.4 Å²	34.4	22%	0.217	16%	0.161	C	C	.	.	S	Bend	trans	-102.9	150.5	-179.9	54.3	0	0	0	0	110.5	T586 Q590	T586-S588 WeakPolarHBondContact CB-O 3.47Å; T586-S588 PolarHBondContact OG1-O 2.93Å; S588-Q590 WeakPolarHBondContact CB-O 3.33Å; S588-Q590 PolarHBondContact O-N 2.83Å; S588-Q590 PolarHBondContact OG-O 3.17Å
589	N	71	Confident	85.2	Confident	119 Å²	119	33.5 Å²	33.5	64%	0.636	16%	0.155	S	C	*	.	S	Bend	trans	-74.3	-7.3	171.6	-74.6	-17	0	0	0	112.9	T577 Q663	T577-N589 WeakPolarHBondContact CG2-O 3.41Å; N589-Q663 PolarHBondContact OD1-NE2 3.25Å
590	Q	80	Confident	85.4	Confident	100 Å²	100	34.5 Å²	34.5	47%	0.467	16%	0.16	S	C	.	.			trans	-130	137.3	178.3	-69.4	-178	-26.9	0	0	110.4	T577 S588 R592	T577-Q590 WeakPolarHBondContact OG1-CA 3.38Å; S588-Q590 WeakPolarHBondContact CB-O 3.33Å; S588-Q590 PolarHBondContact O-N 2.83Å; S588-Q590 PolarHBondContact OG-O 3.17Å; Q590-R592 HydrophobicContact CB-CG 4.4Å
591	I	87.5	Confident	85.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.16	C	C	.	.			trans	-118.5	90.6	179.2	-45.6	164.3	0	0	0	107.3	P543 I576 T577 C580 T586 Y593	P543-I591 HydrophobicContact CB-CG2 4.16Å; P543-I591 HydrophobicContact CG-CD1 4.26Å; P543-I591 HydrophobicContact CG-CG2 3.99Å; I576-I591 HydrophobicContact CD1-CG2 4.01Å; I576-I591 HydrophobicContact CG1-CB 3.91Å; I576-I591 HydrophobicContact CG1-CG2 3.76Å; I576-I591 PolarHBondContact N-O 3.31Å; T577-I591 PolarHBondContact OG1-N 3.42Å; C580-I591 HydrophobicContact CB-CD1 4Å; C580-I591 WeakPolarHBondContact SG-CD1 3.08Å; T586-I591 HydrophobicContact CG2-CD1 3.34Å; T586-I591 HydrophobicContact CG2-CG1 3.46Å; T586-I591 VanDerWaalsContact CG2-CG1 3.46Å; I591-Y593 HydrophobicContact CG2-CE2 3.77Å
592	R	91.3	Very high	85.7	Confident	91 Å²	91	37.4 Å²	37.4	34%	0.343	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	151.1	-176.8	-64.1	-175.8	-62.2	168.9	1.5	110.8	L574 D575 Q590 R747 I748 E749	L574-R592 CarbonylContact O-C 3.53Å; L574-R592 WeakPolarHBondContact O-CA 3.22Å; D575-R592 HydrophobicContact CB-CG 4.42Å; Q590-R592 HydrophobicContact CB-CG 4.4Å; R592-R747 WeakPolarHBondContact O-CA 3.49Å; R592-R747 WeakPolarHBondContact O-CG 3.45Å; R592-I748 HydrophobicContact CB-CD1 3.99Å; R592-I748 HydrophobicContact CB-CG1 3.63Å; R592-I748 PolarHBondContact O-N 3Å; R592-E749 PolarHBondContact NH2-O 2.93Å
593	Y	93.8	Very high	85.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.1	175.4	-73.4	-103	0	0	0	110.2	P543 P544 L547 Y573 L574 I576 I591 E746 R747	P543-Y593 WeakPolarHBondContact CB-OH 3.5Å; P544-Y593 WeakPolarHBondContact O-CE1 3.49Å; P544-Y593 PolarHBondContact O-OH 2.89Å; L547-Y593 HydrophobicContact CB-CD1 3.78Å; L547-Y593 HydrophobicContact CB-CE1 3.42Å; L547-Y593 VanDerWaalsContact CB-CE1 3.42Å; L547-Y593 HydrophobicContact CD2-CE1 4.46Å; L547-Y593 HydrophobicContact CD2-CE2 4.46Å; Y573-Y593 CarbonylContact C-O 3.53Å; Y573-Y593 VanDerWaalsContact CA-O 3.25Å; Y573-Y593 WeakPolarHBondContact CA-O 3.16Å; L574-Y593 PolarHBondContact N-O 2.98Å; L574-Y593 PolarHBondContact O-N 3.16Å; I576-Y593 HydrophobicContact CD1-CD2 4.26Å; I576-Y593 HydrophobicContact CD1-CE2 3.41Å; I576-Y593 VanDerWaalsContact CD1-CE2 3.41Å; I576-Y593 HydrophobicContact CG1-CD2 4.13Å; I576-Y593 HydrophobicContact CG1-CE2 3.69Å; I576-Y593 HydrophobicContact CG2-CD2 4.2Å; I576-Y593 HydrophobicContact CG2-CE2 4.38Å; I591-Y593 HydrophobicContact CG2-CE2 3.77Å; Y593-E746 CarbonylContact C-O 3.5Å; Y593-E746 WeakPolarHBondContact CA-O 3.5Å; Y593-E746 WeakPolarHBondContact CB-O 3.49Å; Y593-E746 VanDerWaalsContact CD1-C 3.44Å; Y593-R747 VanDerWaalsContact CD1-CA 3.47Å; Y593-R747 HydrophobicContact CD1-CB 3.81Å; Y593-R747 HydrophobicContact CD1-CG 4.44Å; Y593-R747 VanDerWaalsContact CD1-N 3.33Å; Y593-R747 HydrophobicContact CD2-CG 4.45Å; Y593-R747 HydrophobicContact CE1-CB 3.48Å; Y593-R747 VanDerWaalsContact CE1-CB 3.48Å; Y593-R747 HydrophobicContact CE1-CG 4.07Å; Y593-R747 HydrophobicContact CE2-CB 4.36Å; Y593-R747 HydrophobicContact CE2-CG 4.04Å; Y593-R747 HydrophobicContact CG-CB 4.37Å
594	R	94.1	Very high	85.7	Confident	50 Å²	50	44.5 Å²	44.5	19%	0.189	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.1	171.1	178	174.3	59.2	-151	-9.9	110.1	I572 Y573 D715 Y745 E746 I748	I572-R594 HydrophobicContact CG2-CG 4.37Å; I572-R594 CarbonylContact O-C 2.86Å; I572-R594 WeakPolarHBondContact O-CA 3.37Å; Y573-R594 HydrophobicContact CD1-CB 4.23Å; Y573-R594 HydrophobicContact CD1-CG 4.5Å; Y573-R594 HydrophobicContact CE1-CB 4.15Å; Y573-R594 HydrophobicContact CE1-CG 4.11Å; R594-D715 IonicContact NH1-OD1 3.14Å; R594-Y745 CarbonylContact O-C 3.53Å; R594-Y745 WeakPolarHBondContact O-CA 3.36Å; R594-E746 HydrophobicContact CB-CG 4.2Å; R594-E746 IonicContact CZ-OE1 3.35Å; R594-E746 PolarHBondContact N-O 3.36Å; R594-E746 IonicContact NE-OE1 3.66Å; R594-E746 PolarHBondContact NE-OE1 2.95Å; R594-E746 IonicContact NH2-OE1 3.31Å; R594-E746 PolarHBondContact NH2-OE1 2.72Å; R594-E746 PolarHBondContact O-N 2.89Å; R594-I748 HydrophobicContact CB-CD1 4.46Å; R594-I748 HydrophobicContact CB-CG2 3.8Å
595	L	95.8	Very high	85.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.3	176	-171.5	72.7	0	0	0	110	F570 I572 V598 W719 V735 L743 Y745	F570-L595 HydrophobicContact CD2-CD2 3.91Å; F570-L595 HydrophobicContact CE2-CD2 3.8Å; I572-L595 HydrophobicContact CD1-CB 4.42Å; I572-L595 HydrophobicContact CD1-CD2 4Å; I572-L595 PolarHBondContact O-N 3.36Å; L595-V598 HydrophobicContact CD1-CG2 4Å; L595-V598 HydrophobicContact CD2-CG2 3.69Å; L595-V598 HydrophobicContact CG-CG2 4.11Å; L595-W719 HydrophobicContact CB-CH2 4.34Å; L595-W719 HydrophobicContact CD2-CH2 3.92Å; L595-W719 HydrophobicContact CD2-CZ2 4.37Å; L595-W719 HydrophobicContact CG-CH2 3.89Å; L595-V735 HydrophobicContact CD2-CG1 4.42Å; L595-L743 HydrophobicContact CD1-CB 4.23Å; L595-L743 HydrophobicContact CD1-CD2 4.04Å; L595-Y745 HydrophobicContact CB-CD1 4.02Å; L595-Y745 HydrophobicContact CB-CE1 3.59Å; L595-Y745 HydrophobicContact CD1-CD1 4.23Å; L595-Y745 HydrophobicContact CD1-CD2 4.02Å; L595-Y745 HydrophobicContact CD1-CE1 3.83Å; L595-Y745 HydrophobicContact CD1-CE2 3.62Å; L595-Y745 HydrophobicContact CD1-CG 4.31Å; L595-Y745 VanDerWaalsContact CD1-CZ 3.49Å; L595-Y745 HydrophobicContact CG-CE1 4.3Å
596	Y	94.8	Very high	86.2	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-15.8	174.7	74.4	-92.1	0	0	0	114.3	C52 K55 S56 I546 V614 S615 F744 E746	C52-Y596 WeakPolarHBondContact O-CE2 3.48Å; K55-Y596 HydrophobicContact CB-CD2 4.03Å; K55-Y596 HydrophobicContact CB-CE2 4.32Å; S56-Y596 PolarHBondContact OG-OH 2.94Å; I546-Y596 HydrophobicContact CG2-CE1 4.1Å; I546-Y596 VanDerWaalsContact CG2-OH 3.3Å; I546-Y596 WeakPolarHBondContact CG2-OH 3.34Å; Y596-V614 WeakPolarHBondContact O-CA 3.42Å; Y596-S615 WeakPolarHBondContact CA-OG 3.5Å; Y596-S615 PolarHBondContact O-N 2.9Å; Y596-F744 HydrophobicContact CD1-CB 4.27Å; Y596-F744 WeakPolarHBondContact CD1-O 3.24Å; Y596-F744 HydrophobicContact CD2-CB 4.45Å; Y596-F744 HydrophobicContact CE1-CB 3.71Å; Y596-F744 HydrophobicContact CE2-CB 3.91Å; Y596-F744 PolarHBondContact N-O 2.76Å; Y596-E746 HydrophobicContact CD1-CB 3.91Å; Y596-E746 HydrophobicContact CD1-CG 4.2Å; Y596-E746 HydrophobicContact CE1-CB 4.17Å
597	G	96.7	Very high	87.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	141.3	179.9	0	0	0	0	0	112.5	Y613 F744	G597-Y613 CarbonylContact C-O 3.57Å; G597-Y613 VanDerWaalsContact CA-O 3.29Å; G597-Y613 WeakPolarHBondContact CA-O 3.45Å; G597-F744 PolarHBondContact N-O 2.86Å; G597-F744 PolarHBondContact O-N 2.84Å
598	V	98.2	Very high	88.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.5	172.2	-173.9	0	0	0	0	109.2	F570 L595 A612 Y613 V735 A740 V742 L743	F570-V598 HydrophobicContact CE2-CG2 4.14Å; F570-V598 HydrophobicContact CZ-CG1 4.47Å; L595-V598 HydrophobicContact CD1-CG2 4Å; L595-V598 HydrophobicContact CD2-CG2 3.69Å; L595-V598 HydrophobicContact CG-CG2 4.11Å; V598-A612 CarbonylContact O-C 3.5Å; V598-A612 WeakPolarHBondContact O-CA 3.33Å; V598-Y613 HydrophobicContact CB-CD2 4.35Å; V598-Y613 PolarHBondContact N-O 3.13Å; V598-Y613 PolarHBondContact O-N 2.67Å; V598-V735 HydrophobicContact CG2-CG1 3.95Å; V598-A740 HydrophobicContact CG1-CB 3.56Å; V598-V742 CarbonylContact C-O 3.05Å; V598-V742 WeakPolarHBondContact CA-O 3.34Å; V598-L743 HydrophobicContact CB-CD2 4.43Å; V598-L743 HydrophobicContact CG1-CD2 3.91Å; V598-L743 HydrophobicContact CG2-CD2 3.89Å
599	I	98.2	Very high	90	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129	167.1	-62.1	174.5	0	0	0	107.6	A48 A49 I150 Y610 V611 Y741 V742 F744	A48-I599 HydrophobicContact CB-CG1 4.35Å; A48-I599 HydrophobicContact CB-CG2 4.11Å; A49-I599 HydrophobicContact CB-CD1 4.38Å; I150-I599 HydrophobicContact CD1-CD1 3.83Å; I599-Y610 HydrophobicContact CG2-CD1 3.77Å; I599-Y610 HydrophobicContact CG2-CE1 4.49Å; I599-V611 WeakPolarHBondContact CA-O 3.32Å; I599-Y741 HydrophobicContact CG2-CD1 4.38Å; I599-Y741 WeakPolarHBondContact O-CA 3.42Å; I599-Y741 WeakPolarHBondContact O-CB 3.32Å; I599-Y741 PolarHBondContact O-N 3.22Å; I599-V742 HydrophobicContact CB-CB 4.17Å; I599-V742 HydrophobicContact CD1-CB 4.23Å; I599-V742 HydrophobicContact CG1-CB 4.46Å; I599-V742 PolarHBondContact N-O 3.03Å; I599-V742 PolarHBondContact O-N 2.79Å; I599-F744 HydrophobicContact CD1-CE2 3.82Å; I599-F744 HydrophobicContact CD1-CZ 4.23Å; I599-F744 HydrophobicContact CG1-CE2 4.03Å
600	E	97.1	Very high	91.3	Very high	24 Å²	24	37.8 Å²	37.8	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.1	169.1	171.4	172.9	-141.7	0	0	109.2	T602 Y610 V611 Y613 C738 Q739	E600-T602 HydrophobicContact CG-CG2 4.44Å; E600-Y610 WeakPolarHBondContact O-CA 3.29Å; E600-V611 HydrophobicContact CB-CG2 3.76Å; E600-V611 HydrophobicContact CG-CG2 4.25Å; E600-V611 PolarHBondContact N-O 3.48Å; E600-V611 PolarHBondContact O-N 3.04Å; E600-Y613 HydrophobicContact CB-CE2 4.15Å; E600-Y613 WeakPolarHBondContact OE2-CE2 3.43Å; E600-Y613 PolarHBondContact OE2-OH 2.94Å; E600-C738 WeakPolarHBondContact OE2-CB 3.11Å; E600-Q739 HydrophobicContact CG-CB 4.38Å; E600-Q739 WeakPolarHBondContact OE1-CB 3.31Å; E600-Q739 PolarHBondContact OE1-N 3.42Å
601	H	95.8	Very high	92.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.1	173	179.1	-106.4	0	0	0	109.2	F554 K563 G603 H604 Y610 Y741	F554-H601 AromaticContact CZ-CE1 3.82Å; F554-H601 AromaticContact CZ-ND1 3.5Å; F554-H601 WeakPolarHBondContact CZ-ND1 3.27Å; K563-H601 PolarHBondContact NZ-O 3.44Å; H601-G603 PolarHBondContact CE1-O 2.92Å; H601-H604 PolarHBondContact CE1-O 2.99Å; H601-Y610 HydrophobicContact CB-CD1 3.85Å; H601-Y610 HydrophobicContact CB-CE1 3.65Å; H601-Y610 AromaticContact CD2-CD1 3.78Å; H601-Y610 AromaticContact CD2-CD2 3.57Å; H601-Y610 AromaticContact CD2-CE1 3.53Å; H601-Y610 AromaticContact CD2-CE2 3.3Å; H601-Y610 WeakPolarHBondContact CD2-CE2 3.46Å; H601-Y610 AromaticContact CD2-CG 3.8Å; H601-Y610 AromaticContact CD2-CZ 3.28Å; H601-Y610 AromaticContact CG-CE1 3.78Å; H601-Y610 AromaticContact CG-CZ 3.85Å; H601-Y610 AromaticContact NE2-CE2 3.77Å; H601-Y610 AromaticContact NE2-CZ 3.95Å; H601-Y741 HydrophobicContact CB-CG 4.44Å
602	T	93.6	Very high	92.7	Very high	61 Å²	61	33.1 Å²	33.1	37%	0.374	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.5	172.4	60.5	0	0	0	0	109.8	E600 G608 H609	E600-T602 HydrophobicContact CG-CG2 4.44Å; T602-G608 CarbonylContact O-C 3.6Å; T602-G608 WeakPolarHBondContact O-CA 3.23Å; T602-H609 PolarHBondContact N-O 2.8Å; T602-H609 PolarHBondContact O-N 2.75Å; T602-H609 PolarHBondContact OG1-O 2.71Å
603	G	90.9	Very high	93	Very high	31 Å²	31	29.6 Å²	29.6	32%	0.32	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-159.4	-177	0	0	0	0	0	115	K563 H601	K563-G603 VanDerWaalsContact CD-O 3.23Å; K563-G603 WeakPolarHBondContact CD-O 3.44Å; H601-G603 PolarHBondContact CE1-O 2.92Å
604	H	83.8	Confident	93.1	Very high	122 Å²	122	29.6 Å²	29.6	57%	0.565	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	162.5	-177.8	-57.2	92.6	0	0	0	110.4	H601 T606 S607 G608	H601-H604 PolarHBondContact CE1-O 2.99Å; H604-T606 PolarHBondContact O-N 3.37Å; H604-S607 PolarHBondContact N-O 3.05Å; H604-S607 CarbonylContact O-C 3.56Å; H604-S607 PolarHBondContact O-N 3.08Å; H604-G608 PolarHBondContact O-N 3.3Å
605	L	77.5	Confident	93	Very high	50 Å²	50	27.4 Å²	27.4	26%	0.262	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31	-178.2	-169.6	70	0	0	0	113.1	D145 F554 L561	D145-L605 HydrophobicContact CB-CD1 4.29Å; F554-L605 HydrophobicContact CD1-CB 4.25Å; F554-L605 HydrophobicContact CD1-CD1 4.5Å; F554-L605 HydrophobicContact CD2-CD1 4.25Å; F554-L605 HydrophobicContact CE1-CB 4.04Å; F554-L605 HydrophobicContact CE1-CD1 4.17Å; F554-L605 HydrophobicContact CE2-CD1 3.92Å; F554-L605 HydrophobicContact CZ-CD1 3.86Å; L561-L605 HydrophobicContact CD2-CB 3.43Å; L561-L605 VanDerWaalsContact CD2-CB 3.43Å; L561-L605 HydrophobicContact CD2-CD2 3.36Å; L561-L605 HydrophobicContact CD2-CG 4.02Å
606	T	79	Confident	92.6	Very high	124 Å²	124	27.5 Å²	27.5	76%	0.761	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.9	177.7	52.6	0	0	0	0	113.4	H604	H604-T606 PolarHBondContact O-N 3.37Å
607	S	84.4	Confident	92.1	Very high	68 Å²	68	28.8 Å²	28.8	48%	0.476	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	89.8	-175.3	68.3	0	0	0	0	109.6	Q143 H604	Q143-S607 VanDerWaalsContact OE1-CA 3.31Å; H604-S607 PolarHBondContact N-O 3.05Å; H604-S607 CarbonylContact O-C 3.56Å; H604-S607 PolarHBondContact O-N 3.08Å
608	G	91.3	Very high	91	Very high	15 Å²	15	32.1 Å²	32.1	16%	0.155	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-176.8	-179	0	0	0	0	0	112.3	Q143 T602 H604	Q143-G608 PolarHBondContact NE2-O 3.32Å; Q143-G608 PolarHBondContact OE1-O 3.4Å; T602-G608 CarbonylContact O-C 3.6Å; T602-G608 WeakPolarHBondContact O-CA 3.23Å; H604-G608 PolarHBondContact O-N 3.3Å
609	H	96.2	Very high	89.6	Confident	51 Å²	51	35.9 Å²	35.9	24%	0.236	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.7	179.2	-171.1	55	0	0	0	110.3	C44 T602 S723 D724	C44-H609 WeakPolarHBondContact CB-ND1 3.45Å; C44-H609 PolarHBondContact SG-ND1 3.34Å; T602-H609 PolarHBondContact N-O 2.8Å; T602-H609 PolarHBondContact O-N 2.75Å; T602-H609 PolarHBondContact OG1-O 2.71Å; H609-S723 PolarHBondContact NE2-OG 2.97Å; H609-D724 IonicContact CE1-OD2 3.98Å; H609-D724 PolarHBondContact CE1-OD2 3.39Å
610	Y	97.5	Very high	87.9	Confident	4 Å²	4	40 Å²	40	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.9	177.1	-72.1	-89.6	0	0	0	110.3	H144 S146 I599 E600 H601 Y741	H144-Y610 WeakPolarHBondContact O-CE2 3.43Å; S146-Y610 WeakPolarHBondContact OG-CE1 3.36Å; I599-Y610 HydrophobicContact CG2-CD1 3.77Å; I599-Y610 HydrophobicContact CG2-CE1 4.49Å; E600-Y610 WeakPolarHBondContact O-CA 3.29Å; H601-Y610 HydrophobicContact CB-CD1 3.85Å; H601-Y610 HydrophobicContact CB-CE1 3.65Å; H601-Y610 AromaticContact CD2-CD1 3.78Å; H601-Y610 AromaticContact CD2-CD2 3.57Å; H601-Y610 AromaticContact CD2-CE1 3.53Å; H601-Y610 AromaticContact CD2-CE2 3.3Å; H601-Y610 WeakPolarHBondContact CD2-CE2 3.46Å; H601-Y610 AromaticContact CD2-CG 3.8Å; H601-Y610 AromaticContact CD2-CZ 3.28Å; H601-Y610 AromaticContact CG-CE1 3.78Å; H601-Y610 AromaticContact CG-CZ 3.85Å; H601-Y610 AromaticContact NE2-CE2 3.77Å; H601-Y610 AromaticContact NE2-CZ 3.95Å; Y610-Y741 HydrophobicContact CD1-CD1 4.48Å; Y610-Y741 AromaticContact CE1-CD1 3.75Å; Y610-Y741 HydrophobicContact CE1-CD1 3.75Å; Y610-Y741 AromaticContact CE1-CE1 3.92Å; Y610-Y741 HydrophobicContact CE1-CE1 3.92Å
611	V	97.9	Very high	85.9	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.6	178.2	-57.8	0	0	0	0	108.9	I599 E600 Y613 Y721	I599-V611 WeakPolarHBondContact CA-O 3.32Å; E600-V611 HydrophobicContact CB-CG2 3.76Å; E600-V611 HydrophobicContact CG-CG2 4.25Å; E600-V611 PolarHBondContact N-O 3.48Å; E600-V611 PolarHBondContact O-N 3.04Å; V611-Y613 HydrophobicContact CG2-CE2 4.34Å; V611-Y721 HydrophobicContact CB-CE2 3.7Å; V611-Y721 HydrophobicContact CG1-CE2 4.06Å; V611-Y721 WeakPolarHBondContact CG1-OH 3.27Å; V611-Y721 HydrophobicContact CG2-CE2 3.7Å
612	A	98.2	Very high	84	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.6	178.8	0	0	0	0	0	111.1	A48 Q51 V598 C722	A48-A612 HydrophobicContact CB-CB 4.15Å; Q51-A612 HydrophobicContact CB-CB 3.84Å; V598-A612 CarbonylContact O-C 3.5Å; V598-A612 WeakPolarHBondContact O-CA 3.33Å; A612-C722 HydrophobicContact CB-CB 4.34Å; A612-C722 PolarHBondContact N-O 3.45Å; A612-C722 PolarHBondContact O-N 2.78Å
613	Y	97.8	Very high	81.6	Confident	17 Å²	17	47.3 Å²	47.3	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.1	164.5	-61.3	-91.1	0	0	0	108.1	G597 V598 E600 V611 F720 Y721 V730 T734 V735 C738	G597-Y613 CarbonylContact C-O 3.57Å; G597-Y613 VanDerWaalsContact CA-O 3.29Å; G597-Y613 WeakPolarHBondContact CA-O 3.45Å; V598-Y613 HydrophobicContact CB-CD2 4.35Å; V598-Y613 PolarHBondContact N-O 3.13Å; V598-Y613 PolarHBondContact O-N 2.67Å; E600-Y613 HydrophobicContact CB-CE2 4.15Å; E600-Y613 WeakPolarHBondContact OE2-CE2 3.43Å; E600-Y613 PolarHBondContact OE2-OH 2.94Å; V611-Y613 HydrophobicContact CG2-CE2 4.34Å; Y613-F720 CarbonylContact C-O 3.53Å; Y613-F720 WeakPolarHBondContact CA-O 3.39Å; Y613-Y721 HydrophobicContact CD1-CD2 4.1Å; Y613-Y721 AromaticContact CE1-CD2 3.5Å; Y613-Y721 HydrophobicContact CE1-CD2 3.5Å; Y613-Y721 VanDerWaalsContact CE1-CD2 3.5Å; Y613-Y721 HydrophobicContact CE1-CE2 4.37Å; Y613-Y721 HydrophobicContact CE1-CG 4.27Å; Y613-Y721 HydrophobicContact CE2-CD2 4.23Å; Y613-Y721 AromaticContact CZ-CD2 3.56Å; Y613-V730 HydrophobicContact CD1-CG2 4.03Å; Y613-V730 HydrophobicContact CE1-CG2 4.31Å; Y613-T734 HydrophobicContact CE1-CG2 4.32Å; Y613-V735 HydrophobicContact CD1-CG2 3.79Å; Y613-V735 HydrophobicContact CG-CG1 4.37Å; Y613-V735 HydrophobicContact CG-CG2 4.23Å; Y613-C738 HydrophobicContact CD2-CB 4.4Å; Y613-C738 HydrophobicContact CE2-CB 3.69Å
614	V	95.6	Very high	79.3	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.6	-178.4	-67.2	0	0	0	0	111.8	V34 Q51 K55 Y596 W719 F720	V34-V614 HydrophobicContact CG1-CG2 4.25Å; V34-V614 HydrophobicContact CG2-CG2 4.47Å; Q51-V614 HydrophobicContact CB-CG1 4.41Å; K55-V614 HydrophobicContact CG-CB 3.93Å; K55-V614 HydrophobicContact CG-CG1 3.96Å; K55-V614 HydrophobicContact CG-CG2 4.45Å; Y596-V614 WeakPolarHBondContact O-CA 3.42Å; V614-W719 VanDerWaalsContact C-CE3 3.49Å; V614-W719 WeakPolarHBondContact O-CA 3.3Å; V614-F720 HydrophobicContact CG2-CB 4.18Å; V614-F720 PolarHBondContact N-O 3.42Å; V614-F720 PolarHBondContact O-N 2.97Å
615	S	92.9	Very high	77.3	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.028	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.7	176.5	82.3	0	0	0	0	111.7	Y596 R717 Q718	Y596-S615 WeakPolarHBondContact CA-OG 3.5Å; Y596-S615 PolarHBondContact O-N 2.9Å; S615-R717 PolarHBondContact OG-NH1 3.25Å; S615-Q718 WeakPolarHBondContact CA-O 3.23Å
616	V	87.9	Confident	75.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.4	175.6	179.7	0	0	0	0	109	V34 P108 Y620 R717 Q718 F720	V34-V616 HydrophobicContact CG2-CG2 3.63Å; P108-V616 HydrophobicContact CB-CG1 3.97Å; P108-V616 HydrophobicContact CG-CG1 3.81Å; V616-Y620 HydrophobicContact CG1-CD2 4.12Å; V616-Y620 HydrophobicContact CG1-CG 4.29Å; V616-R717 CarbonylContact O-C 3.53Å; V616-R717 VanDerWaalsContact O-CA 3.27Å; V616-R717 WeakPolarHBondContact O-CA 3.39Å; V616-Q718 PolarHBondContact N-O 3.19Å; V616-Q718 PolarHBondContact O-N 3.48Å; V616-F720 HydrophobicContact CB-CD2 4.45Å; V616-F720 HydrophobicContact CB-CE2 4.1Å; V616-F720 HydrophobicContact CG2-CD2 4.11Å; V616-F720 HydrophobicContact CG2-CE2 4.18Å
617	P	83.9	Confident	73.9	Confident	29 Å²	29	61.1 Å²	61.1	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	139.8	174.6	-23.6	32.8	0	0	0	112.9	S619 Y620	P617-S619 PolarHBondContact O-N 3.37Å; P617-S619 VanDerWaalsContact O-N 3.11Å; P617-Y620 HydrophobicContact CB-CD2 3.95Å; P617-Y620 HydrophobicContact CB-CE2 4.27Å; P617-Y620 HydrophobicContact CG-CD2 4.04Å; P617-Y620 HydrophobicContact CG-CE2 4.03Å; P617-Y620 PolarHBondContact O-N 3.39Å
618	K	74.4	Confident	71.8	Confident	70 Å²	70	61.5 Å²	61.5	30%	0.304	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-53.8	-29.7	177.5	-101.4	169.5	-128.4	164.8	0	112.7	Y620 T621 N622 D714 S716 Q718	K618-Y620 PolarHBondContact O-N 3.45Å; K618-Y620 VanDerWaalsContact O-N 3.12Å; K618-T621 WeakPolarHBondContact CA-OG1 3.48Å; K618-T621 WeakPolarHBondContact O-CA 3.45Å; K618-T621 PolarHBondContact O-N 3.31Å; K618-T621 PolarHBondContact O-OG1 2.73Å; K618-N622 PolarHBondContact O-N 3.33Å; K618-D714 IonicContact NZ-OD1 3.35Å; K618-D714 PolarHBondContact NZ-OD1 2.88Å; K618-D714 IonicContact NZ-OD2 2.76Å; K618-S716 WeakPolarHBondContact CA-O 2.85Å; K618-S716 WeakPolarHBondContact CB-O 2.95Å; K618-S716 VanDerWaalsContact CD-O 3.29Å; K618-S716 WeakPolarHBondContact CD-O 3.49Å; K618-S716 VanDerWaalsContact CE-O 3.25Å; K618-S716 WeakPolarHBondContact CE-O 3.17Å; K618-S716 WeakPolarHBondContact CG-O 3.29Å; K618-S716 PolarHBondContact N-O 3.14Å; K618-Q718 HydrophobicContact CG-CG 4.09Å
619	S	67.4	Low	69.2	Low	79 Å²	79	67.1 Å²	67.1	55%	0.552	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-57.1	-25.9	177.5	55.4	0	0	0	0	113.6	P617	P617-S619 PolarHBondContact O-N 3.37Å; P617-S619 VanDerWaalsContact O-N 3.11Å
620	Y	62	Low	66.6	Low	85 Å²	85	70.8 Å²	70.8	33%	0.333	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-85.4	-9.8	174.7	-67.3	-76.9	0	0	0	114.1	P108 V616 P617 K618	P108-Y620 HydrophobicContact CB-CD1 4.21Å; P108-Y620 HydrophobicContact CB-CG 4.12Å; P108-Y620 HydrophobicContact CG-CD1 4.16Å; P108-Y620 HydrophobicContact CG-CD2 4.28Å; P108-Y620 HydrophobicContact CG-CG 4.01Å; P108-Y620 VanDerWaalsContact O-CD1 3.24Å; P108-Y620 WeakPolarHBondContact O-CD1 3.45Å; P108-Y620 WeakPolarHBondContact O-CE1 3.29Å; V616-Y620 HydrophobicContact CG1-CD2 4.12Å; V616-Y620 HydrophobicContact CG1-CG 4.29Å; P617-Y620 HydrophobicContact CB-CD2 3.95Å; P617-Y620 HydrophobicContact CB-CE2 4.27Å; P617-Y620 HydrophobicContact CG-CD2 4.04Å; P617-Y620 HydrophobicContact CG-CE2 4.03Å; P617-Y620 PolarHBondContact O-N 3.39Å; K618-Y620 PolarHBondContact O-N 3.45Å; K618-Y620 VanDerWaalsContact O-N 3.12Å
621	T	56.9	Low	63.7	Low	30 Å²	30	77.4 Å²	77.4	18%	0.184	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-25.4	-176.8	62.9	0	0	0	0	112.9	P33 K618 C623 Q718 F720	P33-T621 HydrophobicContact CG-CG2 3.79Å; K618-T621 WeakPolarHBondContact CA-OG1 3.48Å; K618-T621 WeakPolarHBondContact O-CA 3.45Å; K618-T621 PolarHBondContact O-N 3.31Å; K618-T621 PolarHBondContact O-OG1 2.73Å; T621-C623 PolarHBondContact O-N 2.81Å; T621-Q718 HydrophobicContact CG2-CG 4.45Å; T621-Q718 PolarHBondContact OG1-NE2 3.18Å; T621-F720 HydrophobicContact CG2-CZ 4.48Å
622	N	53.9	Low	61	Low	95 Å²	95	82.9 Å²	82.9	51%	0.508	44%	0.439	S	S	.	.			trans	-92.4	98.5	176	-78.3	3.6	0	0	0	109.9	K618 N624	K618-N622 PolarHBondContact O-N 3.33Å; N622-N624 PolarHBondContact O-N 3.23Å
623	C	44.1	Very low	58.4	Low	116 Å²	116	87.4 Å²	87.4	78%	0.784	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	9.8	-176.8	-52.5	0	0	0	0	115.3	T621	T621-C623 PolarHBondContact O-N 2.81Å
624	N	43.3	Very low	55.8	Low	151 Å²	151	92.5 Å²	92.5	81%	0.807	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-1.8	-166.7	-80.4	-5.9	0	0	0	116.4	N622	N622-N624 PolarHBondContact O-N 3.23Å
625	D	42.3	Very low	53.6	Low	125 Å²	125	93.9 Å²	93.9	67%	0.668	49%	0.494	S	S	*	.	S	Bend	trans	-112.6	142	-176.7	-61.4	-42.7	0	0	0	111.7	K627	D625-K627 PolarHBondContact O-N 3.48Å
626	N	40.4	Very low	51.7	Low	136 Å²	136	95.5 Å²	95.5	73%	0.727	50%	0.502	S	S	*	.			trans	-44.2	132.2	-166.8	-63.9	-53.9	0	0	0	114	S628	N626-S628 PolarHBondContact O-N 2.89Å
627	K	44.4	Very low	50	Low	204 Å²	204	97.5 Å²	97.5	89%	0.887	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	9.7	175.9	-77	179.5	174.4	174.5	0	115.4	D625	D625-K627 PolarHBondContact O-N 3.48Å
628	S	39.7	Very low	48.6	Very low	77 Å²	77	100 Å²	100	54%	0.538	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-16.4	-177.8	50.7	0	0	0	0	114.3	N626 L630	N626-S628 PolarHBondContact O-N 2.89Å; S628-L630 VanDerWaalsContact C-N 3.32Å; S628-L630 PolarHBondContact O-N 3.07Å
629	D	36.4	Very low	48.1	Very low	132 Å²	132	98 Å²	98	71%	0.706	53%	0.531	S	S	*	.			trans	-94.9	29.2	-179.7	-71.6	-1.7	0	0	0	113.5	M631	D629-M631 PolarHBondContact O-N 3.49Å
630	L	41.7	Very low	47.7	Very low	129 Å²	129	100.1 Å²	100.1	68%	0.675	54%	0.536	S	S	*	.			trans	-70.5	18.1	161.1	-76.8	164.2	0	0	0	112.1	S628 E632	S628-L630 VanDerWaalsContact C-N 3.32Å; S628-L630 PolarHBondContact O-N 3.07Å; L630-E632 PolarHBondContact O-N 3.39Å
631	M	35.9	Very low	48	Very low	142 Å²	142	105.4 Å²	105.4	70%	0.7	56%	0.555	S	S	*	*			trans	-76.5	117.9	178.3	-74.2	-168	70.3	0	0	110.3	D629	D629-M631 PolarHBondContact O-N 3.49Å
632	E	42	Very low	48.8	Very low	118 Å²	118	104.6 Å²	104.6	55%	0.551	55%	0.551	S	S	*	*			trans	82.9	69.4	153.2	-61.2	-173.3	156.4	0	0	117.4	L630 Q634	L630-E632 PolarHBondContact O-N 3.39Å; E632-Q634 HydrophobicContact CB-CB 4.15Å; E632-Q634 HydrophobicContact CB-CG 3.81Å; E632-Q634 HydrophobicContact CG-CG 3.74Å; E632-Q634 PolarHBondContact O-N 3.5Å; E632-Q634 PolarHBondContact OE1-NE2 3.29Å; E632-Q634 PolarHBondContact OE2-NE2 3.42Å; E632-Q634 VanDerWaalsContact OE2-NE2 3.14Å
633	N	43.5	Very low	50	Low	95 Å²	95	102 Å²	102	51%	0.508	54%	0.539	S	S	.	.				-62.7	66.6	126.6	-69.7	-33.4	0	0	0	108.8	W58 F635	W58-N633 HydrophobicContact CH2-CB 3.71Å; W58-N633 VanDerWaalsContact CH2-O 3.3Å; W58-N633 WeakPolarHBondContact CH2-O 3.37Å; W58-N633 HydrophobicContact CZ2-CB 3.54Å; W58-N633 WeakPolarHBondContact CZ2-O 3.25Å; N633-F635 PolarHBondContact O-N 2.99Å
634	Q	43.2	Very low	51.9	Low	124 Å²	124	97.8 Å²	97.8	58%	0.579	51%	0.507	S	S	*	.			trans	-71.5	86.2	163.7	-90.8	-175.2	6.3	0	0	106.3	E632 I636	E632-Q634 HydrophobicContact CB-CB 4.15Å; E632-Q634 HydrophobicContact CB-CG 3.81Å; E632-Q634 HydrophobicContact CG-CG 3.74Å; E632-Q634 PolarHBondContact O-N 3.5Å; E632-Q634 PolarHBondContact OE1-NE2 3.29Å; E632-Q634 PolarHBondContact OE2-NE2 3.42Å; E632-Q634 VanDerWaalsContact OE2-NE2 3.14Å; Q634-I636 WeakPolarHBondContact O-CD1 3.45Å
635	F	49.7	Very low	54.1	Low	30 Å²	30	92 Å²	92	13%	0.132	47%	0.474	C	S	.	.			trans	-150.4	133.5	160.8	-158.5	-86.1	0	0	0	112.7	W58 N633 R747 I748	W58-F635 WeakPolarHBondContact CZ2-O 3.34Å; W58-F635 PolarHBondContact NE1-O 3.38Å; N633-F635 PolarHBondContact O-N 2.99Å; F635-R747 HydrophobicContact CD1-CB 4.19Å; F635-R747 WeakPolarHBondContact CD1-O 3.42Å; F635-R747 WeakPolarHBondContact CD2-O 3.38Å; F635-R747 HydrophobicContact CE1-CB 3.44Å; F635-R747 VanDerWaalsContact CE1-CB 3.44Å; F635-R747 HydrophobicContact CE1-CG 3.85Å; F635-R747 HydrophobicContact CE2-CB 3.8Å; F635-R747 HydrophobicContact CE2-CG 3.61Å; F635-R747 VanDerWaalsContact CE2-O 3.32Å; F635-R747 WeakPolarHBondContact CE2-O 3.48Å; F635-R747 WeakPolarHBondContact CG-O 3.41Å; F635-R747 HydrophobicContact CZ-CB 3.26Å; F635-R747 HydrophobicContact CZ-CG 3.14Å; F635-I748 VanDerWaalsContact CE2-CA 3.45Å; F635-I748 VanDerWaalsContact CE2-N 3.35Å
636	I	52.3	Low	56.2	Low	38 Å²	38	88.5 Å²	88.5	20%	0.195	46%	0.459	C	S	.	.			cis	-173.8	116.4	-47.2	-89.2	146.1	0	0	0	104.7	Q634 E749	Q634-I636 WeakPolarHBondContact O-CD1 3.45Å; I636-E749 HydrophobicContact CD1-CB 3.24Å; I636-E749 HydrophobicContact CD1-CG 3.14Å; I636-E749 VanDerWaalsContact CD1-OE1 3.32Å; I636-E749 WeakPolarHBondContact CD1-OE1 3.5Å; I636-E749 WeakPolarHBondContact CD1-OE2 3.17Å; I636-E749 HydrophobicContact CG1-CB 4.49Å; I636-E749 HydrophobicContact CG1-CG 3.93Å; I636-E749 WeakPolarHBondContact CG1-OE1 3.28Å; I636-E749 HydrophobicContact CG2-CG 4.05Å; I636-E749 WeakPolarHBondContact CG2-OE1 3.32Å
637	G	52.8	Low	58.4	Low	42 Å²	42	82.9 Å²	82.9	43%	0.433	43%	0.428	S	S	.	.	S	Bend	trans	112.2	157.8	-177	0	0	0	0	0	114	L639	G637-L639 VanDerWaalsContact C-N 3.29Å; G637-L639 PolarHBondContact O-N 3.45Å
638	P	55.1	Low	60.5	Low	81 Å²	81	75.3 Å²	75.3	53%	0.526	40%	0.401	S	S	.	.			trans	-78.3	77.4	-174.9	33.3	-33.6	0	0	0	110.5	N640 R641	P638-N640 PolarHBondContact O-N 3.03Å; P638-R641 HydrophobicContact CB-CB 4.42Å; P638-R641 HydrophobicContact CB-CG 4.39Å; P638-R641 PolarHBondContact O-N 3.22Å
639	L	64.2	Low	62.7	Low	28 Å²	28	73.3 Å²	73.3	15%	0.147	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-14.1	164	-71.9	171.8	0	0	0	112	W58 L62 R203 L204 P545 G637	W58-L639 HydrophobicContact CB-CD1 4.32Å; W58-L639 HydrophobicContact CG-CD1 4.11Å; L62-L639 HydrophobicContact CD1-CD1 4.32Å; R203-L639 HydrophobicContact CB-CD2 4.32Å; R203-L639 VanDerWaalsContact CD-O 3.26Å; R203-L639 WeakPolarHBondContact CD-O 3.46Å; R203-L639 PolarHBondContact NH1-O 2.98Å; R203-L639 WeakPolarHBondContact O-CD2 3.26Å; L204-L639 HydrophobicContact CD2-CD1 4.34Å; L204-L639 HydrophobicContact CD2-CD2 4.12Å; P545-L639 HydrophobicContact CB-CD2 4.46Å; P545-L639 HydrophobicContact CG-CD2 3.94Å; G637-L639 VanDerWaalsContact C-N 3.29Å; G637-L639 PolarHBondContact O-N 3.45Å
640	N	59.3	Low	65.1	Low	125 Å²	125	70.1 Å²	70.1	67%	0.668	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-10	176.4	-71.3	-21.1	0	0	0	114.5	P638	P638-N640 PolarHBondContact O-N 3.03Å
641	R	67.8	Low	67.3	Low	196 Å²	196	64.6 Å²	64.6	74%	0.74	34%	0.34	S	S	*	.	S	Bend	trans	-120.5	130.8	-177.8	-63.1	-172.7	-177.1	-161.7	0.9	111.6	P638	P638-R641 HydrophobicContact CB-CB 4.42Å; P638-R641 HydrophobicContact CB-CG 4.39Å; P638-R641 PolarHBondContact O-N 3.22Å
642	S	73.2	Confident	69.8	Low	13 Å²	13	57.9 Å²	57.9	9%	0.091	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.4	137.7	168.8	-178.4	0	0	0	0	109.6	A72 A198	A72-S642 WeakPolarHBondContact O-CB 3.39Å; A198-S642 WeakPolarHBondContact CA-OG 3.48Å; A198-S642 WeakPolarHBondContact CB-OG 3.45Å
643	P	79.5	Confident	72	Confident	40 Å²	40	52.5 Å²	52.5	26%	0.26	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-63.8	152.4	170.6	19.3	-20.5	0	0	0	110.9	I197 W645	I197-P643 HydrophobicContact CD1-CB 4.19Å; I197-P643 HydrophobicContact CD1-CG 3.64Å; I197-P643 HydrophobicContact CG1-CG 4.06Å; P643-W645 PolarHBondContact O-N 2.87Å
644	K	84.3	Confident	74.1	Confident	27 Å²	27	50.9 Å²	50.9	12%	0.117	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-60.5	129.5	166.2	178	-165.1	174.4	-170.9	0	109.1	T74 L81 L647 D651	T74-K644 WeakPolarHBondContact O-CA 3.41Å; T74-K644 VanDerWaalsContact OG1-CA 3.3Å; T74-K644 WeakPolarHBondContact OG1-CA 3.43Å; T74-K644 PolarHBondContact OG1-N 3.45Å; L81-K644 HydrophobicContact CD2-CB 4.2Å; L81-K644 HydrophobicContact CD2-CD 3.94Å; L81-K644 HydrophobicContact CD2-CG 4.04Å; K644-L647 HydrophobicContact CD-CD2 4.45Å; K644-D651 VanDerWaalsContact NZ-CG 3.28Å; K644-D651 IonicContact NZ-OD1 3.13Å; K644-D651 PolarHBondContact NZ-OD1 3.12Å; K644-D651 IonicContact NZ-OD2 3.6Å; K644-D651 PolarHBondContact NZ-OD2 3.24Å
645	W	87.8	Confident	76.1	Confident	30 Å²	30	47 Å²	47	11%	0.114	25%	0.251	C	S	.	.			trans	-152.8	145	175.9	-169.5	-102.8	0	0	0	112.7	T74 A194 I197 I208 F225 P227 P643 L647	T74-W645 PolarHBondContact O-N 3.44Å; A194-W645 WeakPolarHBondContact CB-O 3.31Å; I197-W645 HydrophobicContact CD1-CB 3.53Å; I197-W645 HydrophobicContact CD1-CD2 3.51Å; I197-W645 HydrophobicContact CD1-CE3 3.55Å; I197-W645 HydrophobicContact CD1-CG 3.54Å; I197-W645 HydrophobicContact CD1-CZ3 4.47Å; I197-W645 HydrophobicContact CG1-CB 3.6Å; I197-W645 HydrophobicContact CG1-CD2 4.03Å; I197-W645 HydrophobicContact CG1-CG 3.62Å; I197-W645 HydrophobicContact CG2-CD2 4.36Å; I197-W645 HydrophobicContact CG2-CG 4.48Å; I208-W645 HydrophobicContact CD1-CE3 4.19Å; I208-W645 HydrophobicContact CD1-CZ3 3.99Å; I208-W645 HydrophobicContact CG2-CZ3 4.49Å; F225-W645 HydrophobicContact CB-CH2 4.11Å; F225-W645 HydrophobicContact CB-CZ3 4.07Å; P227-W645 HydrophobicContact CG-CH2 4.35Å; P227-W645 HydrophobicContact CG-CZ2 4.24Å; P643-W645 PolarHBondContact O-N 2.87Å; W645-L647 HydrophobicContact CE3-CG 4.05Å; W645-L647 HydrophobicContact CZ3-CB 4.38Å; W645-L647 HydrophobicContact CZ3-CD1 4.37Å; W645-L647 HydrophobicContact CZ3-CG 4.17Å
646	P	87.1	Confident	77.9	Confident	52 Å²	52	46.2 Å²	46.2	34%	0.338	25%	0.248	S	C	.	.	S	Bend	cis	-68.5	154.5	-5.7	30.4	-35.2	0	0	0	112.9
647	L	87.5	Confident	79.5	Confident	17 Å²	17	52 Å²	52	9%	0.089	27%	0.267	C	S	.	.			trans	-83.5	146.4	167.1	-63.5	176.6	0	0	0	109.6	I208 F225 Y541 K644 W645 D651	I208-L647 HydrophobicContact CD1-CD1 3.67Å; I208-L647 HydrophobicContact CG2-CD1 4.26Å; F225-L647 HydrophobicContact CB-CB 4.27Å; F225-L647 HydrophobicContact CD1-CB 4.34Å; F225-L647 HydrophobicContact CD1-CD1 3.96Å; F225-L647 HydrophobicContact CD2-CB 3.44Å; F225-L647 VanDerWaalsContact CD2-CB 3.44Å; F225-L647 HydrophobicContact CE1-CD1 4.18Å; F225-L647 HydrophobicContact CE2-CB 3.69Å; F225-L647 HydrophobicContact CG-CB 3.77Å; F225-L647 HydrophobicContact CG-CD1 4.11Å; F225-L647 HydrophobicContact CZ-CB 4.21Å; Y541-L647 HydrophobicContact CD1-CD1 4.02Å; Y541-L647 HydrophobicContact CE1-CD1 3.71Å; K644-L647 HydrophobicContact CD-CD2 4.45Å; W645-L647 HydrophobicContact CE3-CG 4.05Å; W645-L647 HydrophobicContact CZ3-CB 4.38Å; W645-L647 HydrophobicContact CZ3-CD1 4.37Å; W645-L647 HydrophobicContact CZ3-CG 4.17Å; L647-D651 WeakPolarHBondContact CA-OD2 3.32Å; L647-D651 HydrophobicContact CD2-CB 4.26Å
648	S	87.4	Confident	80.9	Confident	46 Å²	46	56.3 Å²	56.3	32%	0.322	28%	0.276	S	S	.	.			trans	-126	175.4	178.7	76.6	0	0	0	0	111.4	F225 N650 D651	F225-S648 WeakPolarHBondContact CE2-O 3.26Å; S648-N650 PolarHBondContact O-N 3.26Å; S648-N650 PolarHBondContact OG-N 3.45Å; S648-D651 PolarHBondContact N-OD2 2.89Å; S648-D651 VanDerWaalsContact O-CB 3.27Å; S648-D651 WeakPolarHBondContact O-CB 3.28Å; S648-D651 PolarHBondContact O-N 3.08Å
649	V	86.6	Confident	82.1	Confident	34 Å²	34	53.5 Å²	53.5	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-25.6	177.4	-165	0	0	0	0	111.9	P223 L449 I453 D651 L652 I653	P223-V649 HydrophobicContact CG-CG1 4.37Å; P223-V649 HydrophobicContact CG-CG2 3.95Å; L449-V649 HydrophobicContact CD1-CB 4.05Å; L449-V649 HydrophobicContact CD1-CG1 3.12Å; I453-V649 HydrophobicContact CD1-CG1 4.45Å; I453-V649 HydrophobicContact CG1-CG1 4.17Å; V649-D651 PolarHBondContact O-N 2.85Å; V649-L652 HydrophobicContact CG1-CD1 4.25Å; V649-L652 WeakPolarHBondContact O-CA 3.08Å; V649-L652 WeakPolarHBondContact O-CB 3.19Å; V649-L652 PolarHBondContact O-N 3.49Å; V649-I653 PolarHBondContact O-N 3.19Å; V649-I653 VanDerWaalsContact O-N 3.07Å
650	N	86.9	Confident	82.6	Confident	65 Å²	65	56.9 Å²	56.9	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-30.3	171.8	-64.6	25.5	0	0	0	111.6	S648 L652 I653 Q654	S648-N650 PolarHBondContact O-N 3.26Å; S648-N650 PolarHBondContact OG-N 3.45Å; N650-L652 VanDerWaalsContact C-N 3.33Å; N650-I653 PolarHBondContact O-N 3.46Å; N650-Q654 WeakPolarHBondContact O-CB 3.27Å; N650-Q654 VanDerWaalsContact O-CG 3.26Å; N650-Q654 WeakPolarHBondContact O-CG 3.36Å; N650-Q654 PolarHBondContact O-N 3.41Å
651	D	87.6	Confident	83.3	Confident	14 Å²	14	56.7 Å²	56.7	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-66.2	-35.4	172.6	-67.4	-79.3	0	0	0	111.7	K644 L647 S648 V649 R655	K644-D651 VanDerWaalsContact NZ-CG 3.28Å; K644-D651 IonicContact NZ-OD1 3.13Å; K644-D651 PolarHBondContact NZ-OD1 3.12Å; K644-D651 IonicContact NZ-OD2 3.6Å; K644-D651 PolarHBondContact NZ-OD2 3.24Å; L647-D651 WeakPolarHBondContact CA-OD2 3.32Å; L647-D651 HydrophobicContact CD2-CB 4.26Å; S648-D651 PolarHBondContact N-OD2 2.89Å; S648-D651 VanDerWaalsContact O-CB 3.27Å; S648-D651 WeakPolarHBondContact O-CB 3.28Å; S648-D651 PolarHBondContact O-N 3.08Å; V649-D651 PolarHBondContact O-N 2.85Å; D651-R655 WeakPolarHBondContact O-CB 3.2Å; D651-R655 PolarHBondContact O-N 3.44Å
652	L	89.1	Confident	83.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-43.3	173	-63.7	178.5	0	0	0	111	P223 F225 A452 A456 Y541 L583 V649 N650 R655 L656	P223-L652 HydrophobicContact CB-CD1 3.89Å; P223-L652 HydrophobicContact CG-CD1 3.87Å; F225-L652 HydrophobicContact CE1-CD2 3.99Å; F225-L652 HydrophobicContact CE2-CG 4.35Å; F225-L652 HydrophobicContact CZ-CD1 4.33Å; F225-L652 HydrophobicContact CZ-CD2 3.53Å; F225-L652 HydrophobicContact CZ-CG 3.69Å; A452-L652 HydrophobicContact CB-CB 3.97Å; A456-L652 HydrophobicContact CB-CD1 3.89Å; A456-L652 HydrophobicContact CB-CD2 4.11Å; Y541-L652 HydrophobicContact CD2-CD2 4.46Å; Y541-L652 HydrophobicContact CE2-CD2 3.97Å; L583-L652 HydrophobicContact CD1-CB 4.2Å; L583-L652 HydrophobicContact CD1-CD2 3.94Å; V649-L652 HydrophobicContact CG1-CD1 4.25Å; V649-L652 WeakPolarHBondContact O-CA 3.08Å; V649-L652 WeakPolarHBondContact O-CB 3.19Å; V649-L652 PolarHBondContact O-N 3.49Å; N650-L652 VanDerWaalsContact C-N 3.33Å; L652-R655 PolarHBondContact O-N 3.39Å; L652-L656 WeakPolarHBondContact O-CB 3.26Å; L652-L656 PolarHBondContact O-N 3.49Å
653	I	87.9	Confident	83.4	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-50	177.6	-67.6	159.1	0	0	0	110.7	E448 L449 A452 V649 N650 R655 L656 R657	E448-I653 HydrophobicContact CG-CG2 3.96Å; L449-I653 HydrophobicContact CB-CD1 4.32Å; L449-I653 HydrophobicContact CD1-CD1 3.97Å; A452-I653 HydrophobicContact CB-CG1 3.86Å; V649-I653 PolarHBondContact O-N 3.19Å; V649-I653 VanDerWaalsContact O-N 3.07Å; N650-I653 PolarHBondContact O-N 3.46Å; I653-R655 PolarHBondContact O-N 3.44Å; I653-L656 WeakPolarHBondContact O-CB 3.43Å; I653-L656 PolarHBondContact O-N 3.32Å; I653-L656 VanDerWaalsContact O-N 3.17Å; I653-R657 WeakPolarHBondContact O-CG 3.3Å; I653-R657 PolarHBondContact O-N 3.03Å
654	Q	86.1	Confident	83.1	Confident	60 Å²	60	53 Å²	53	28%	0.28	26%	0.258	S	S	.	.	H	α-helix	trans	-57.1	-38	176.2	-75.5	179.5	-0.8	0	0	111.4	N650 Q658	N650-Q654 WeakPolarHBondContact O-CB 3.27Å; N650-Q654 VanDerWaalsContact O-CG 3.26Å; N650-Q654 WeakPolarHBondContact O-CG 3.36Å; N650-Q654 PolarHBondContact O-N 3.41Å; Q654-Q658 WeakPolarHBondContact O-CG 3.5Å; Q654-Q658 PolarHBondContact O-N 3.4Å
655	R	86	Confident	82.4	Confident	44 Å²	44	55.5 Å²	55.5	17%	0.166	27%	0.272	C	S	.	.	H	α-helix	trans	-71.7	-42.1	178.3	-167.3	61.1	-177.3	130.9	6.4	112.3	L583 A584 D651 L652 I653 R657 Q658 C659	L583-R655 HydrophobicContact CB-CG 4.15Å; L583-R655 WeakPolarHBondContact O-CG 3.37Å; L583-R655 PolarHBondContact O-NE 2.69Å; A584-R655 PolarHBondContact O-NH2 2.79Å; D651-R655 WeakPolarHBondContact O-CB 3.2Å; D651-R655 PolarHBondContact O-N 3.44Å; L652-R655 PolarHBondContact O-N 3.39Å; I653-R655 PolarHBondContact O-N 3.44Å; R655-R657 VanDerWaalsContact C-N 3.28Å; R655-R657 PolarHBondContact O-N 3.16Å; R655-Q658 PolarHBondContact O-N 3.18Å; R655-C659 PolarHBondContact O-N 3.39Å; R655-C659 VanDerWaalsContact O-N 3.11Å; R655-C659 PolarHBondContact O-SG 3.02Å
656	L	86.8	Confident	81.6	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-55.2	-44.9	173.1	-179.6	69.7	0	0	0	111.2	E448 Q451 A452 Y455 L583 L652 I653 Q658 C659 L664	E448-L656 HydrophobicContact CG-CD2 4.3Å; Q451-L656 HydrophobicContact CB-CD2 4.02Å; Q451-L656 HydrophobicContact CG-CD2 3.87Å; A452-L656 HydrophobicContact CB-CB 4.38Å; A452-L656 HydrophobicContact CB-CD2 3.99Å; Y455-L656 HydrophobicContact CD2-CD1 3.52Å; Y455-L656 HydrophobicContact CE2-CD1 4.02Å; Y455-L656 HydrophobicContact CG-CD1 4.18Å; L583-L656 HydrophobicContact CD2-CB 4.21Å; L583-L656 HydrophobicContact CD2-CD1 4.18Å; L652-L656 WeakPolarHBondContact O-CB 3.26Å; L652-L656 PolarHBondContact O-N 3.49Å; I653-L656 WeakPolarHBondContact O-CB 3.43Å; I653-L656 PolarHBondContact O-N 3.32Å; I653-L656 VanDerWaalsContact O-N 3.17Å; L656-Q658 PolarHBondContact O-N 3.46Å; L656-C659 PolarHBondContact O-N 2.97Å; L656-L664 HydrophobicContact CD1-CD1 3.78Å; L656-L664 HydrophobicContact CD1-CD2 4.35Å
657	R	86	Confident	80.7	Confident	160 Å²	160	56.3 Å²	56.3	60%	0.604	28%	0.276	S	S	*	.	H	α-helix	trans	-61.8	-23.5	176.3	-68.9	174.2	-178.3	176.9	1.3	114.1	E448 I653 R655	E448-R657 VanDerWaalsContact OE1-CG 3.22Å; E448-R657 WeakPolarHBondContact OE1-CG 3.49Å; E448-R657 IonicContact OE1-CZ 2.7Å; E448-R657 IonicContact OE1-NE 2.77Å; E448-R657 PolarHBondContact OE1-NE 2.82Å; E448-R657 IonicContact OE1-NH2 2.72Å; E448-R657 IonicContact OE2-CZ 2.74Å; E448-R657 IonicContact OE2-NE 3.28Å; E448-R657 PolarHBondContact OE2-NE 2.83Å; E448-R657 IonicContact OE2-NH2 3.86Å; E448-R657 PolarHBondContact OE2-NH2 2.89Å; I653-R657 WeakPolarHBondContact O-CG 3.3Å; I653-R657 PolarHBondContact O-N 3.03Å; R655-R657 VanDerWaalsContact C-N 3.28Å; R655-R657 PolarHBondContact O-N 3.16Å
658	Q	83.6	Confident	79.6	Confident	133 Å²	133	56.4 Å²	56.4	62%	0.621	28%	0.278	S	S	*	.	H	α-helix	trans	-96.6	-10.9	-179.9	-69.2	171.4	7.7	0	0	113.4	Q654 R655 L656	Q654-Q658 WeakPolarHBondContact O-CG 3.5Å; Q654-Q658 PolarHBondContact O-N 3.4Å; R655-Q658 PolarHBondContact O-N 3.18Å; L656-Q658 PolarHBondContact O-N 3.46Å
659	C	78.9	Confident	78.2	Confident	21 Å²	21	59.6 Å²	59.6	14%	0.142	29%	0.292	C	S	.	.	S	Bend	trans	-73	144.8	-178.7	-77	0	0	0	0	111	R655 L656 H661 L664	R655-C659 PolarHBondContact O-N 3.39Å; R655-C659 VanDerWaalsContact O-N 3.11Å; R655-C659 PolarHBondContact O-SG 3.02Å; L656-C659 PolarHBondContact O-N 2.97Å; C659-H661 PolarHBondContact O-N 3.21Å; C659-L664 HydrophobicContact CB-CD1 3.92Å; C659-L664 HydrophobicContact CB-CD2 3.87Å; C659-L664 HydrophobicContact CB-CG 3.89Å
660	D	76.2	Confident	76.8	Confident	99 Å²	99	62.3 Å²	62.3	53%	0.529	31%	0.305	S	S	.	.			trans	-66.7	120.9	168.7	178.4	6.2	0	0	0	109.3	H662 Q663 L664	D660-H662 PolarHBondContact O-N 2.77Å; D660-H662 VanDerWaalsContact O-N 3.15Å; D660-H662 PolarHBondContact OD1-N 3.12Å; D660-Q663 HydrophobicContact CB-CB 4.31Å; D660-Q663 WeakPolarHBondContact O-CB 3.41Å; D660-Q663 PolarHBondContact O-N 3.13Å; D660-L664 PolarHBondContact O-N 3.38Å; D660-L664 VanDerWaalsContact O-N 3.14Å
661	H	73.3	Confident	75.5	Confident	121 Å²	121	60.7 Å²	60.7	56%	0.56	30%	0.295	S	S	*	.	H	α-helix	trans	-58.6	-28.9	-178.5	-155.8	-64.2	0	0	0	112.1	C659 L665	C659-H661 PolarHBondContact O-N 3.21Å; H661-L665 WeakPolarHBondContact ND1-CD1 3.32Å; H661-L665 VanDerWaalsContact O-CG 3.27Å; H661-L665 WeakPolarHBondContact O-CG 3.35Å; H661-L665 PolarHBondContact O-N 2.82Å; H661-L665 VanDerWaalsContact O-N 3.08Å
662	H	71.6	Confident	73.9	Confident	118 Å²	118	62.4 Å²	62.4	55%	0.546	31%	0.306	S	S	.	.	H	α-helix	trans	-67.3	-42.1	175.4	-174.8	-104.2	0	0	0	111.9	D660 L665 L666	D660-H662 PolarHBondContact O-N 2.77Å; D660-H662 VanDerWaalsContact O-N 3.15Å; D660-H662 PolarHBondContact OD1-N 3.12Å; H662-L665 PolarHBondContact O-N 2.87Å; H662-L666 VanDerWaalsContact CE1-CD1 3.44Å; H662-L666 WeakPolarHBondContact CE1-CD1 3.47Å; H662-L666 WeakPolarHBondContact O-CG 3.47Å; H662-L666 PolarHBondContact O-N 3.02Å
663	Q	70.7	Confident	72.2	Confident	48 Å²	48	65.8 Å²	65.8	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-39.1	177.3	-173	172.8	46.5	0	0	112.1	L460 N589 D660 S667	L460-Q663 HydrophobicContact CD1-CG 4.26Å; N589-Q663 PolarHBondContact OD1-NE2 3.25Å; D660-Q663 HydrophobicContact CB-CB 4.31Å; D660-Q663 WeakPolarHBondContact O-CB 3.41Å; D660-Q663 PolarHBondContact O-N 3.13Å; Q663-S667 WeakPolarHBondContact O-CB 3.43Å; Q663-S667 PolarHBondContact O-N 3.37Å; Q663-S667 PolarHBondContact O-OG 2.97Å
664	L	73.4	Confident	70.4	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-46	173.4	-65.8	-179.3	0	0	0	111.2	Y455 V582 L656 C659 D660 S667 S668	Y455-L664 HydrophobicContact CD1-CD2 3.86Å; Y455-L664 HydrophobicContact CE1-CB 3.89Å; Y455-L664 HydrophobicContact CE1-CD2 3.89Å; Y455-L664 HydrophobicContact CE1-CG 4.41Å; Y455-L664 HydrophobicContact CG-CD2 4.22Å; V582-L664 HydrophobicContact CG1-CD2 3.44Å; V582-L664 VanDerWaalsContact CG1-CD2 3.44Å; L656-L664 HydrophobicContact CD1-CD1 3.78Å; L656-L664 HydrophobicContact CD1-CD2 4.35Å; C659-L664 HydrophobicContact CB-CD1 3.92Å; C659-L664 HydrophobicContact CB-CD2 3.87Å; C659-L664 HydrophobicContact CB-CG 3.89Å; D660-L664 PolarHBondContact O-N 3.38Å; D660-L664 VanDerWaalsContact O-N 3.14Å; L664-S667 PolarHBondContact O-N 2.78Å; L664-S668 VanDerWaalsContact O-CB 3.24Å; L664-S668 WeakPolarHBondContact O-CB 3.2Å; L664-S668 PolarHBondContact O-N 2.88Å; L664-S668 PolarHBondContact O-OG 3.11Å
665	L	69.7	Low	69.1	Low	78 Å²	78	67.1 Å²	67.1	41%	0.408	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-45.1	179.4	-74.6	168.4	0	0	0	112.3	H661 H662 S667 S668 N669	H661-L665 WeakPolarHBondContact ND1-CD1 3.32Å; H661-L665 VanDerWaalsContact O-CG 3.27Å; H661-L665 WeakPolarHBondContact O-CG 3.35Å; H661-L665 PolarHBondContact O-N 2.82Å; H661-L665 VanDerWaalsContact O-N 3.08Å; H662-L665 PolarHBondContact O-N 2.87Å; L665-S667 VanDerWaalsContact C-N 3.32Å; L665-S667 PolarHBondContact O-N 3Å; L665-S668 PolarHBondContact O-N 2.92Å; L665-N669 WeakPolarHBondContact O-CB 3.33Å; L665-N669 PolarHBondContact O-N 3.27Å; L665-N669 PolarHBondContact O-ND2 2.92Å
666	L	70.8	Confident	67.8	Low	88 Å²	88	66.2 Å²	66.2	46%	0.461	34%	0.344	S	S	.	.	H	α-helix	trans	-60	-43	176.9	-72.5	174.7	0	0	0	111.9	H662 N670	H662-L666 VanDerWaalsContact CE1-CD1 3.44Å; H662-L666 WeakPolarHBondContact CE1-CD1 3.47Å; H662-L666 WeakPolarHBondContact O-CG 3.47Å; H662-L666 PolarHBondContact O-N 3.02Å; L666-N670 PolarHBondContact O-N 2.89Å; L666-N670 PolarHBondContact O-ND2 3.14Å; L666-N670 VanDerWaalsContact O-ND2 3.09Å
667	S	68.4	Low	66.3	Low	12 Å²	12	73.8 Å²	73.8	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-71.1	-40.3	-180	-50.9	0	0	0	0	111.6	V582 Q663 L664 L665 N670 F671	V582-S667 VanDerWaalsContact CG2-CB 3.47Å; Q663-S667 WeakPolarHBondContact O-CB 3.43Å; Q663-S667 PolarHBondContact O-N 3.37Å; Q663-S667 PolarHBondContact O-OG 2.97Å; L664-S667 PolarHBondContact O-N 2.78Å; L665-S667 VanDerWaalsContact C-N 3.32Å; L665-S667 PolarHBondContact O-N 3Å; S667-N670 PolarHBondContact O-N 2.84Å; S667-F671 WeakPolarHBondContact O-CB 3.45Å; S667-F671 PolarHBondContact O-N 2.66Å
668	S	64.2	Low	64.9	Low	19 Å²	19	70.7 Å²	70.7	13%	0.133	37%	0.367	C	S	.	.	H	α-helix	trans	-66.1	-40.6	176	-81.2	0	0	0	0	113.8	Y455 L664 L665 N670 F671 T672	Y455-S668 WeakPolarHBondContact CE1-OG 3.46Å; Y455-S668 VanDerWaalsContact CZ-OG 3.27Å; Y455-S668 PolarHBondContact OH-OG 3.06Å; L664-S668 VanDerWaalsContact O-CB 3.24Å; L664-S668 WeakPolarHBondContact O-CB 3.2Å; L664-S668 PolarHBondContact O-N 2.88Å; L664-S668 PolarHBondContact O-OG 3.11Å; L665-S668 PolarHBondContact O-N 2.92Å; S668-N670 PolarHBondContact O-N 3.49Å; S668-F671 CarbonylContact O-C 3.48Å; S668-F671 PolarHBondContact O-N 2.89Å; S668-T672 WeakPolarHBondContact O-CA 3.38Å; S668-T672 PolarHBondContact O-N 3.39Å; S668-T672 VanDerWaalsContact O-N 3.11Å
669	N	58.4	Low	63.8	Low	113 Å²	113	67.1 Å²	67.1	60%	0.604	35%	0.353	S	S	*	.	H	α-helix	trans	-65.4	-33.4	-179.9	-73	-16.4	0	0	0	111.5	L665 T672	L665-N669 WeakPolarHBondContact O-CB 3.33Å; L665-N669 PolarHBondContact O-N 3.27Å; L665-N669 PolarHBondContact O-ND2 2.92Å; N669-T672 WeakPolarHBondContact O-CG2 3.14Å
670	N	57.6	Low	63	Low	90 Å²	90	67 Å²	67	48%	0.481	35%	0.351	S	S	.	.	H	α-helix	trans	-79.4	-27.5	175.4	-70.8	-24.9	0	0	0	112.5	Q462 L666 S667 S668	Q462-N670 HydrophobicContact CG-CB 4.35Å; Q462-N670 PolarHBondContact NE2-O 3.46Å; L666-N670 PolarHBondContact O-N 2.89Å; L666-N670 PolarHBondContact O-ND2 3.14Å; L666-N670 VanDerWaalsContact O-ND2 3.09Å; S667-N670 PolarHBondContact O-N 2.84Å; S668-N670 PolarHBondContact O-N 3.49Å
671	F	59.1	Low	62.2	Low	32 Å²	32	66.5 Å²	66.5	14%	0.14	35%	0.349	C	S	.	.	S	Bend	trans	-124.4	65.3	-177.9	-143	-96.2	0	0	0	110	V458 P459 S667 S668 I676	V458-F671 HydrophobicContact CG1-CB 3.76Å; V458-F671 HydrophobicContact CG1-CD1 4.29Å; V458-F671 HydrophobicContact CG1-CG 4.2Å; V458-F671 HydrophobicContact CG2-CD1 4.28Å; P459-F671 HydrophobicContact CG-CE2 4.45Å; S667-F671 WeakPolarHBondContact O-CB 3.45Å; S667-F671 PolarHBondContact O-N 2.66Å; S668-F671 CarbonylContact O-C 3.48Å; S668-F671 PolarHBondContact O-N 2.89Å; F671-I676 HydrophobicContact CD1-CD1 4.34Å; F671-I676 HydrophobicContact CD1-CG1 3.97Å; F671-I676 HydrophobicContact CE1-CD1 4.42Å; F671-I676 HydrophobicContact CE1-CG1 3.75Å
672	T	54.3	Low	62	Low	50 Å²	50	64 Å²	64	31%	0.307	34%	0.344	S	S	.	.			trans	-62.7	157.5	-176.7	64.6	0	0	0	0	111.1	S668 N669 S674 S675 I676	S668-T672 WeakPolarHBondContact O-CA 3.38Å; S668-T672 PolarHBondContact O-N 3.39Å; S668-T672 VanDerWaalsContact O-N 3.11Å; N669-T672 WeakPolarHBondContact O-CG2 3.14Å; T672-S674 PolarHBondContact O-N 3Å; T672-S674 WeakPolarHBondContact OG1-CB 3.46Å; T672-S674 PolarHBondContact OG1-N 3.37Å; T672-S674 PolarHBondContact OG1-OG 3.37Å; T672-S675 WeakPolarHBondContact O-CA 3.36Å; T672-S675 VanDerWaalsContact O-CB 3.32Å; T672-S675 WeakPolarHBondContact O-CB 3.27Å; T672-S675 PolarHBondContact O-N 3.31Å; T672-S675 PolarHBondContact OG1-N 3.36Å; T672-S675 PolarHBondContact OG1-OG 3.27Å; T672-I676 PolarHBondContact O-N 2.77Å
673	S	53.9	Low	61.8	Low	70 Å²	70	60.9 Å²	60.9	49%	0.49	33%	0.331	S	S	.	.	H	α-helix	trans	-55.7	-20.7	167.6	39.6	0	0	0	0	112.5	R677	S673-R677 WeakPolarHBondContact O-CB 3.36Å; S673-R677 VanDerWaalsContact O-CG 3.25Å; S673-R677 WeakPolarHBondContact O-CG 3.46Å; S673-R677 PolarHBondContact O-N 3.47Å
674	S	49.7	Very low	61.6	Low	60 Å²	60	62 Å²	62	42%	0.42	34%	0.342	S	S	.	.	H	α-helix	trans	-70.4	-36.8	168.3	85.3	0	0	0	0	113	T672 R677 N678	T672-S674 PolarHBondContact O-N 3Å; T672-S674 WeakPolarHBondContact OG1-CB 3.46Å; T672-S674 PolarHBondContact OG1-N 3.37Å; T672-S674 PolarHBondContact OG1-OG 3.37Å; S674-R677 CarbonylContact O-C 3.56Å; S674-R677 PolarHBondContact O-N 3.42Å; S674-N678 WeakPolarHBondContact O-CB 3.22Å; S674-N678 PolarHBondContact O-N 3.48Å; S674-N678 PolarHBondContact O-ND2 2.89Å; S674-N678 PolarHBondContact O-OD1 3.19Å
675	S	58.4	Low	60.7	Low	35 Å²	35	65.6 Å²	65.6	25%	0.245	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-42.4	173.1	-56.6	0	0	0	0	111.2	T672 N678 D679	T672-S675 WeakPolarHBondContact O-CA 3.36Å; T672-S675 VanDerWaalsContact O-CB 3.32Å; T672-S675 WeakPolarHBondContact O-CB 3.27Å; T672-S675 PolarHBondContact O-N 3.31Å; T672-S675 PolarHBondContact OG1-N 3.36Å; T672-S675 PolarHBondContact OG1-OG 3.27Å; S675-N678 PolarHBondContact O-N 3.42Å; S675-D679 PolarHBondContact O-N 2.85Å
676	I	58.4	Low	59.6	Low	25 Å²	25	68.2 Å²	68.2	13%	0.128	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-44	174.9	-60.6	173	0	0	0	110.7	F671 T672 N678 D679 T680	F671-I676 HydrophobicContact CD1-CD1 4.34Å; F671-I676 HydrophobicContact CD1-CG1 3.97Å; F671-I676 HydrophobicContact CE1-CD1 4.42Å; F671-I676 HydrophobicContact CE1-CG1 3.75Å; T672-I676 PolarHBondContact O-N 2.77Å; I676-N678 VanDerWaalsContact C-N 3.29Å; I676-N678 PolarHBondContact O-N 3.11Å; I676-D679 PolarHBondContact O-N 3.37Å; I676-T680 WeakPolarHBondContact O-CG2 3.19Å; I676-T680 PolarHBondContact O-N 3.46Å; I676-T680 PolarHBondContact O-OG1 3.27Å
677	R	55.3	Low	58.1	Low	171 Å²	171	71 Å²	71	65%	0.645	40%	0.396	S	S	*	.	H	α-helix	trans	-64	-34.7	174.7	-77.2	177	-176.6	178.5	2.3	112.3	S673 S674 T680 N681	S673-R677 WeakPolarHBondContact O-CB 3.36Å; S673-R677 VanDerWaalsContact O-CG 3.25Å; S673-R677 WeakPolarHBondContact O-CG 3.46Å; S673-R677 PolarHBondContact O-N 3.47Å; S674-R677 CarbonylContact O-C 3.56Å; S674-R677 PolarHBondContact O-N 3.42Å; R677-T680 VanDerWaalsContact CA-OG1 3.29Å; R677-T680 WeakPolarHBondContact CA-OG1 3.07Å; R677-T680 PolarHBondContact O-N 3.06Å; R677-T680 PolarHBondContact O-OG1 2.89Å; R677-N681 WeakPolarHBondContact O-CB 3.29Å; R677-N681 PolarHBondContact O-N 3.25Å; R677-N681 PolarHBondContact O-ND2 2.62Å; R677-N681 PolarHBondContact O-OD1 3.08Å
678	N	56.7	Low	56.3	Low	94 Å²	94	77.2 Å²	77.2	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-72.1	-38.7	176.6	-71.9	-17.4	0	0	0	110.7	S674 S675 I676 T680 N681 S682	S674-N678 WeakPolarHBondContact O-CB 3.22Å; S674-N678 PolarHBondContact O-N 3.48Å; S674-N678 PolarHBondContact O-ND2 2.89Å; S674-N678 PolarHBondContact O-OD1 3.19Å; S675-N678 PolarHBondContact O-N 3.42Å; I676-N678 VanDerWaalsContact C-N 3.29Å; I676-N678 PolarHBondContact O-N 3.11Å; N678-T680 VanDerWaalsContact C-N 3.35Å; N678-N681 PolarHBondContact O-N 3.36Å; N678-S682 WeakPolarHBondContact O-CA 3.3Å; N678-S682 WeakPolarHBondContact O-CB 2.98Å; N678-S682 PolarHBondContact O-N 2.92Å
679	D	60.7	Low	54.9	Low	59 Å²	59	83.8 Å²	83.8	32%	0.316	46%	0.462	S	S	.	.	H	α-helix	trans	-59.8	-48.2	169.7	-75.9	-9.8	0	0	0	109.5	R537 S675 I676 N681 S682 L683	R537-D679 IonicContact NH1-OD2 2.67Å; S675-D679 PolarHBondContact O-N 2.85Å; I676-D679 PolarHBondContact O-N 3.37Å; D679-N681 PolarHBondContact O-N 3.01Å; D679-S682 PolarHBondContact O-N 3.11Å; D679-L683 WeakPolarHBondContact O-CB 3.48Å; D679-L683 WeakPolarHBondContact O-CD1 3.21Å; D679-L683 WeakPolarHBondContact O-CG 3.37Å; D679-L683 PolarHBondContact O-N 2.85Å
680	T	61.5	Low	53.5	Low	19 Å²	19	85 Å²	85	12%	0.117	47%	0.468	C	S	.	.	H	α-helix	trans	-62.8	-43.2	178.1	64.4	0	0	0	0	112.1	I535 I676 R677 N678 V684	I535-T680 HydrophobicContact CD1-CG2 3.36Å; I676-T680 WeakPolarHBondContact O-CG2 3.19Å; I676-T680 PolarHBondContact O-N 3.46Å; I676-T680 PolarHBondContact O-OG1 3.27Å; R677-T680 VanDerWaalsContact CA-OG1 3.29Å; R677-T680 WeakPolarHBondContact CA-OG1 3.07Å; R677-T680 PolarHBondContact O-N 3.06Å; R677-T680 PolarHBondContact O-OG1 2.89Å; N678-T680 VanDerWaalsContact C-N 3.35Å; T680-V684 VanDerWaalsContact O-CB 3.24Å; T680-V684 WeakPolarHBondContact O-CB 3.48Å; T680-V684 WeakPolarHBondContact O-CG2 3.4Å; T680-V684 PolarHBondContact O-N 2.86Å
681	N	59.4	Low	52.5	Low	88 Å²	88	88.4 Å²	88.4	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-70.5	-41.3	179.7	-71.3	-16.6	0	0	0	111.3	R677 N678 D679 L683 V684 C685	R677-N681 WeakPolarHBondContact O-CB 3.29Å; R677-N681 PolarHBondContact O-N 3.25Å; R677-N681 PolarHBondContact O-ND2 2.62Å; R677-N681 PolarHBondContact O-OD1 3.08Å; N678-N681 PolarHBondContact O-N 3.36Å; D679-N681 PolarHBondContact O-N 3.01Å; N681-L683 VanDerWaalsContact C-N 3.32Å; N681-L683 PolarHBondContact O-N 3.26Å; N681-V684 PolarHBondContact O-N 2.92Å; N681-C685 WeakPolarHBondContact O-CA 3.18Å; N681-C685 WeakPolarHBondContact O-CB 3.3Å; N681-C685 PolarHBondContact O-N 3.42Å; N681-C685 PolarHBondContact O-SG 3.04Å
682	S	69.2	Low	51.2	Low	68 Å²	68	94.6 Å²	94.6	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-41.9	176.9	178.7	0	0	0	0	111.2	N678 D679 N686	N678-S682 WeakPolarHBondContact O-CA 3.3Å; N678-S682 WeakPolarHBondContact O-CB 2.98Å; N678-S682 PolarHBondContact O-N 2.92Å; D679-S682 PolarHBondContact O-N 3.11Å; S682-N686 WeakPolarHBondContact O-CB 3.25Å; S682-N686 PolarHBondContact O-ND2 3.35Å
683	L	68.6	Low	50.2	Low	52 Å²	52	95.8 Å²	95.8	27%	0.272	54%	0.543	S	S	.	.	H	α-helix	trans	-70.2	-44.3	177.9	-71.4	169.9	0	0	0	111.8	A486 L488 I535 D679 N681	A486-L683 HydrophobicContact CB-CD1 4.09Å; L488-L683 HydrophobicContact CB-CB 4.16Å; L488-L683 HydrophobicContact CB-CD2 4.27Å; L488-L683 HydrophobicContact CD2-CB 4.44Å; L488-L683 VanDerWaalsContact CD2-O 3.29Å; L488-L683 WeakPolarHBondContact CD2-O 3.43Å; I535-L683 HydrophobicContact CD1-CD1 4.46Å; I535-L683 HydrophobicContact CG2-CD1 4.24Å; D679-L683 WeakPolarHBondContact O-CB 3.48Å; D679-L683 WeakPolarHBondContact O-CD1 3.21Å; D679-L683 WeakPolarHBondContact O-CG 3.37Å; D679-L683 PolarHBondContact O-N 2.85Å; N681-L683 VanDerWaalsContact C-N 3.32Å; N681-L683 PolarHBondContact O-N 3.26Å
684	V	66.1	Low	49.1	Very low	73 Å²	73	100 Å²	100	44%	0.442	56%	0.56	S	S	.	*	H	α-helix	trans	-78.8	-35.8	-176.3	176	0	0	0	0	112.5	T680 N681	T680-V684 VanDerWaalsContact O-CB 3.24Å; T680-V684 WeakPolarHBondContact O-CB 3.48Å; T680-V684 WeakPolarHBondContact O-CG2 3.4Å; T680-V684 PolarHBondContact O-N 2.86Å; N681-V684 PolarHBondContact O-N 2.92Å
685	C	54.6	Low	48.5	Very low	81 Å²	81	104.6 Å²	104.6	55%	0.547	58%	0.58	S	S	.	*	H	α-helix	trans	-87	-5.1	-173.5	-59	0	0	0	0	114.5	N681 N687 N688	N681-C685 WeakPolarHBondContact O-CA 3.18Å; N681-C685 WeakPolarHBondContact O-CB 3.3Å; N681-C685 PolarHBondContact O-N 3.42Å; N681-C685 PolarHBondContact O-SG 3.04Å; C685-N687 PolarHBondContact O-N 2.87Å; C685-N688 PolarHBondContact O-N 3.38Å
686	N	46.9	Very low	47.1	Very low	133 Å²	133	108.9 Å²	108.9	71%	0.711	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	12.7	-179.8	-104.3	-18.9	0	0	0	115.2	S682	S682-N686 WeakPolarHBondContact O-CB 3.25Å; S682-N686 PolarHBondContact O-ND2 3.35Å
687	N	38.6	Very low	46	Very low	147 Å²	147	115.2 Å²	115.2	79%	0.786	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	4.7	176.4	-95	-16.5	0	0	0	115.5	C685	C685-N687 PolarHBondContact O-N 2.87Å
688	N	31.5	Very low	44.7	Very low	142 Å²	142	113.7 Å²	113.7	76%	0.759	64%	0.642	S	S	*	*	S	Bend	trans	-157.5	130.5	169.1	-87.2	-42.6	0	0	0	113.1	C685	C685-N688 PolarHBondContact O-N 3.38Å
689	N	34.2	Very low	43.7	Very low	158 Å²	158	117.9 Å²	117.9	85%	0.845	66%	0.658	S	S	*	*			trans	84.3	102.3	165.6	-62.8	-23.8	0	0	0	119.5	N691	N689-N691 PolarHBondContact O-N 3.01Å
690	N	29.6	Very low	42.3	Very low	138 Å²	138	119.8 Å²	119.8	74%	0.738	68%	0.676	S	S	*	*			trans	-54.7	119.5	142.6	-77.3	-33	0	0	0	109.7
691	N	35.9	Very low	40.9	Very low	161 Å²	161	125.3 Å²	125.3	86%	0.861	71%	0.71	S	S	*	*			trans	-169.2	140.7	136.7	-98.4	-22.6	0	0	0	112.9	N689	N689-N691 PolarHBondContact O-N 3.01Å
692	N	32.5	Very low	39.4	Very low	163 Å²	163	127.9 Å²	127.9	87%	0.872	72%	0.724	S	S	*	*			trans	-45.6	146.3	-179.6	-71	-32.9	0	0	0	116.1
693	G	33.5	Very low	37.8	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	74%	0.741	S	S	*	*			trans	-168.9	71.7	164.7	0	0	0	0	0	111.9	N695	G693-N695 PolarHBondContact O-N 2.92Å
694	N	31	Very low	35.9	Very low	159 Å²	159	137 Å²	137	85%	0.85	76%	0.761	S	S	*	*			trans	-59.4	122.9	165.3	-76.9	-19.2	0	0	0	109.1
695	N	35.9	Very low	34.2	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	78%	0.775	S	S	*	*			trans	-145.5	95.7	155.7	-94.1	-21.4	0	0	0	109.5	G693	G693-N695 PolarHBondContact O-N 2.92Å
696	T	29.6	Very low	33	Very low	125 Å²	125	145 Å²	145	77%	0.767	79%	0.791	S	S	*	*			trans	-61.3	124.1	160.1	36	0	0	0	0	110.3
697	I	34.7	Very low	32.3	Very low	157 Å²	157	144.1 Å²	144.1	81%	0.805	79%	0.789	S	S	*	*			trans	-127.3	102.9	158.6	-61.8	-179.9	0	0	0	107.1
698	N	28.8	Very low	32.1	Very low	139 Å²	139	142.4 Å²	142.4	74%	0.743	78%	0.784	S	S	*	*			trans	-80.4	129.3	166.9	-73.1	-28.9	0	0	0	108.8
699	H	34.8	Very low	32.3	Very low	183 Å²	183	142.6 Å²	142.6	85%	0.847	79%	0.785	S	S	*	*			trans	176.2	118.7	149.4	-86.4	-57.3	0	0	0	103.6
700	S	31.1	Very low	32.2	Very low	98 Å²	98	141.4 Å²	141.4	69%	0.685	78%	0.779	S	S	*	*				-175.4	136.7	66.2	-49.8	0	0	0	0	110.4
701	T	32.9	Very low	32.6	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	78%	0.778	S	S	*	*			trans	55.9	96.4	145	56.8	0	0	0	0	119.6	H703	T701-H703 PolarHBondContact O-N 2.9Å
702	N	27.9	Very low	32.7	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	78%	0.778	S	S	*	*			trans	-60.1	116.1	156.7	-81.7	-15.1	0	0	0	111.1
703	H	35.3	Very low	33.3	Very low	180 Å²	180	143.6 Å²	143.6	83%	0.833	77%	0.773	S	S	*	*			trans	-110.8	97.4	148.1	-104.4	-58.8	0	0	0	107.5	T701 N705	T701-H703 PolarHBondContact O-N 2.9Å; H703-N705 PolarHBondContact O-N 3.3Å; H703-N705 VanDerWaalsContact O-N 3.09Å
704	N	28.3	Very low	34.1	Very low	131 Å²	131	145.9 Å²	145.9	70%	0.701	77%	0.767	S	S	*	*			trans	-70.2	96.4	171.5	-67.4	-11.5	0	0	0	108.3
705	N	31.1	Very low	35.5	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	73%	0.734	S	S	*	*			trans	-106.1	95.1	153.5	-83.3	-7.2	0	0	0	106.4	H703 V707	H703-N705 PolarHBondContact O-N 3.3Å; H703-N705 VanDerWaalsContact O-N 3.09Å; N705-V707 VanDerWaalsContact C-N 3.26Å; N705-V707 PolarHBondContact O-N 3.44Å
706	E	28.9	Very low	37.3	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.864	71%	0.708	S	S	*	*			trans	-60	93.6	160.5	-75	176.7	153.3	0	0	107.4	V708	E706-V708 VanDerWaalsContact C-N 3.31Å; E706-V708 PolarHBondContact O-N 3.18Å
707	V	33	Very low	40	Very low	113 Å²	113	130 Å²	130	69%	0.685	68%	0.678	S	S	*	*			trans	-79.9	95	160.3	-177.4	0	0	0	0	104.9	N705 D709	N705-V707 VanDerWaalsContact C-N 3.26Å; N705-V707 PolarHBondContact O-N 3.44Å; V707-D709 PolarHBondContact O-N 3.43Å
708	V	34.3	Very low	42.7	Very low	111 Å²	111	123.5 Å²	123.5	67%	0.673	65%	0.645	S	S	*	*			trans	-55.8	118.6	161.8	-178.9	0	0	0	0	106	E706 D710	E706-V708 VanDerWaalsContact C-N 3.31Å; E706-V708 PolarHBondContact O-N 3.18Å; V708-D710 HydrophobicContact CG1-CB 4.42Å; V708-D710 PolarHBondContact O-N 2.85Å
709	D	35.5	Very low	45.8	Very low	146 Å²	146	117.1 Å²	117.1	78%	0.781	61%	0.61	S	S	*	*			trans	-67.9	75.3	171.4	-84.1	-34.7	0	0	0	108.7	V707 Y711	V707-D709 PolarHBondContact O-N 3.43Å; D709-Y711 VanDerWaalsContact C-N 3.28Å; D709-Y711 PolarHBondContact O-N 3.27Å
710	D	31.7	Very low	48.7	Very low	134 Å²	134	108.6 Å²	108.6	72%	0.717	57%	0.571	S	S	*	*			trans	-88.9	69.5	172.7	-159.1	22.7	0	0	0	108.4	V708	V708-D710 HydrophobicContact CG1-CB 4.42Å; V708-D710 PolarHBondContact O-N 2.85Å
711	Y	38.3	Very low	51.8	Low	182 Å²	182	106.7 Å²	106.7	71%	0.714	55%	0.549	S	S	*	.			trans	-131	55.4	171.6	-68.6	-70.8	0	0	0	110.4	D709 H713	D709-Y711 VanDerWaalsContact C-N 3.28Å; D709-Y711 PolarHBondContact O-N 3.27Å; Y711-H713 PolarHBondContact O-N 2.87Å
712	D	37.4	Very low	54.9	Low	164 Å²	164	100.4 Å²	100.4	88%	0.877	51%	0.51	S	S	*	.			trans	-74.5	65	154.3	-116.1	-5.1	0	0	0	108.1	D714	D712-D714 VanDerWaalsContact C-N 3.35Å; D712-D714 PolarHBondContact O-N 2.83Å; D712-D714 VanDerWaalsContact O-N 3.11Å
713	H	46.6	Very low	58.2	Low	162 Å²	162	94.7 Å²	94.7	75%	0.75	48%	0.482	S	S	*	.			trans	-72.2	101	159.6	-122.6	51.3	0	0	0	105.5	Y711 D715	Y711-H713 PolarHBondContact O-N 2.87Å; H713-D715 VanDerWaalsContact C-N 3.32Å; H713-D715 PolarHBondContact O-N 2.89Å
714	D	49.1	Very low	61.1	Low	121 Å²	121	87.1 Å²	87.1	65%	0.647	45%	0.447	S	S	*	.			trans	-27.7	88.5	177.5	178.9	24.3	0	0	0	111.1	K618 D712 S716	K618-D714 IonicContact NZ-OD1 3.35Å; K618-D714 PolarHBondContact NZ-OD1 2.88Å; K618-D714 IonicContact NZ-OD2 2.76Å; D712-D714 VanDerWaalsContact C-N 3.35Å; D712-D714 PolarHBondContact O-N 2.83Å; D712-D714 VanDerWaalsContact O-N 3.11Å; D714-S716 PolarHBondContact O-N 3.35Å
715	D	60.3	Low	64.2	Low	30 Å²	30	83.9 Å²	83.9	16%	0.16	44%	0.435	C	S	.	.			trans	-71.5	90.2	169.8	-167.3	9.2	0	0	0	104.4	Y573 R594 H713 R717	Y573-D715 WeakPolarHBondContact OH-CB 3.29Å; R594-D715 IonicContact NH1-OD1 3.14Å; H713-D715 VanDerWaalsContact C-N 3.32Å; H713-D715 PolarHBondContact O-N 2.89Å; D715-R717 PolarHBondContact O-N 3.14Å; D715-R717 VanDerWaalsContact OD1-CD 3.26Å; D715-R717 WeakPolarHBondContact OD1-CD 3.43Å; D715-R717 VanDerWaalsContact OD1-CG 3.28Å; D715-R717 WeakPolarHBondContact OD1-CG 3.45Å; D715-R717 IonicContact OD1-NE 2.78Å
716	S	74.3	Confident	67.2	Low	42 Å²	42	82.1 Å²	82.1	29%	0.294	42%	0.422	S	S	.	.			trans	-68.8	14.9	-174	69.1	0	0	0	0	111.6	K618 D714	K618-S716 WeakPolarHBondContact CA-O 2.85Å; K618-S716 WeakPolarHBondContact CB-O 2.95Å; K618-S716 VanDerWaalsContact CD-O 3.29Å; K618-S716 WeakPolarHBondContact CD-O 3.49Å; K618-S716 VanDerWaalsContact CE-O 3.25Å; K618-S716 WeakPolarHBondContact CE-O 3.17Å; K618-S716 WeakPolarHBondContact CG-O 3.29Å; K618-S716 PolarHBondContact N-O 3.14Å; D714-S716 PolarHBondContact O-N 3.35Å
717	R	85.6	Confident	70.4	Confident	35 Å²	35	74.4 Å²	74.4	13%	0.132	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.4	-179.6	-69.7	174.1	176.1	-106.1	3.4	111.6	S615 V616 D715 E746	S615-R717 PolarHBondContact OG-NH1 3.25Å; V616-R717 CarbonylContact O-C 3.53Å; V616-R717 VanDerWaalsContact O-CA 3.27Å; V616-R717 WeakPolarHBondContact O-CA 3.39Å; D715-R717 PolarHBondContact O-N 3.14Å; D715-R717 VanDerWaalsContact OD1-CD 3.26Å; D715-R717 WeakPolarHBondContact OD1-CD 3.43Å; D715-R717 VanDerWaalsContact OD1-CG 3.28Å; D715-R717 WeakPolarHBondContact OD1-CG 3.45Å; D715-R717 IonicContact OD1-NE 2.78Å; R717-E746 IonicContact CZ-OE1 3.85Å; R717-E746 IonicContact NH1-OE1 2.99Å; R717-E746 IonicContact NH2-OE1 2.92Å; R717-E746 PolarHBondContact NH2-OE1 2.73Å; R717-E746 VanDerWaalsContact NH2-OE1 3.13Å
718	Q	91.2	Very high	73.3	Confident	22 Å²	22	71.2 Å²	71.2	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.7	170.6	-61.4	-175.4	-2	0	0	109.1	S615 V616 K618 T621 F720 R729	S615-Q718 WeakPolarHBondContact CA-O 3.23Å; V616-Q718 PolarHBondContact N-O 3.19Å; V616-Q718 PolarHBondContact O-N 3.48Å; K618-Q718 HydrophobicContact CG-CG 4.09Å; T621-Q718 HydrophobicContact CG2-CG 4.45Å; T621-Q718 PolarHBondContact OG1-NE2 3.18Å; Q718-F720 HydrophobicContact CB-CE2 3.82Å; Q718-F720 HydrophobicContact CB-CZ 4.14Å; Q718-R729 VanDerWaalsContact CD-CZ 3.46Å
719	W	94.7	Very high	76.1	Confident	5 Å²	5	72.9 Å²	72.9	2%	0.019	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138	178.7	-73.1	92.6	0	0	0	111.1	I572 L595 V614 R729 V730 V735	I572-W719 HydrophobicContact CD1-CZ2 3.89Å; L595-W719 HydrophobicContact CB-CH2 4.34Å; L595-W719 HydrophobicContact CD2-CH2 3.92Å; L595-W719 HydrophobicContact CD2-CZ2 4.37Å; L595-W719 HydrophobicContact CG-CH2 3.89Å; V614-W719 VanDerWaalsContact C-CE3 3.49Å; V614-W719 WeakPolarHBondContact O-CA 3.3Å; W719-R729 WeakPolarHBondContact O-CA 3.33Å; W719-V730 HydrophobicContact CB-CG2 3.93Å; W719-V730 PolarHBondContact O-N 2.83Å; W719-V735 HydrophobicContact CB-CG2 3.85Å; W719-V735 HydrophobicContact CD2-CB 4.42Å; W719-V735 HydrophobicContact CD2-CG1 4.34Å; W719-V735 HydrophobicContact CD2-CG2 3.73Å; W719-V735 HydrophobicContact CE3-CB 4.41Å; W719-V735 HydrophobicContact CE3-CG1 3.97Å; W719-V735 HydrophobicContact CE3-CG2 3.74Å; W719-V735 HydrophobicContact CG-CG2 3.79Å; W719-V735 HydrophobicContact CH2-CG1 4.28Å; W719-V735 HydrophobicContact CZ3-CG1 3.93Å
720	F	95.4	Very high	79	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	177.2	-62.9	-87.6	0	0	0	109.7	V32 P33 V34 Y613 V614 V616 T621 Q718 V727 T728 R729	V32-F720 HydrophobicContact CG1-CD1 3.62Å; V32-F720 HydrophobicContact CG1-CE1 3.58Å; P33-F720 HydrophobicContact CG-CE1 4.44Å; P33-F720 HydrophobicContact CG-CE2 4.02Å; P33-F720 HydrophobicContact CG-CZ 3.72Å; V34-F720 HydrophobicContact CB-CB 4.49Å; V34-F720 HydrophobicContact CB-CG 4.37Å; V34-F720 HydrophobicContact CG2-CB 4.2Å; V34-F720 HydrophobicContact CG2-CD1 4.5Å; V34-F720 HydrophobicContact CG2-CD2 3.7Å; V34-F720 HydrophobicContact CG2-CE2 4.22Å; V34-F720 HydrophobicContact CG2-CG 3.86Å; Y613-F720 CarbonylContact C-O 3.53Å; Y613-F720 WeakPolarHBondContact CA-O 3.39Å; V614-F720 HydrophobicContact CG2-CB 4.18Å; V614-F720 PolarHBondContact N-O 3.42Å; V614-F720 PolarHBondContact O-N 2.97Å; V616-F720 HydrophobicContact CB-CD2 4.45Å; V616-F720 HydrophobicContact CB-CE2 4.1Å; V616-F720 HydrophobicContact CG2-CD2 4.11Å; V616-F720 HydrophobicContact CG2-CE2 4.18Å; T621-F720 HydrophobicContact CG2-CZ 4.48Å; Q718-F720 HydrophobicContact CB-CE2 3.82Å; Q718-F720 HydrophobicContact CB-CZ 4.14Å; F720-V727 HydrophobicContact CB-CG1 4.16Å; F720-V727 HydrophobicContact CD1-CG1 4.38Å; F720-T728 CarbonylContact C-O 3.51Å; F720-T728 WeakPolarHBondContact CA-O 3.39Å; F720-R729 HydrophobicContact CD1-CB 4.17Å; F720-R729 HydrophobicContact CE1-CB 3.98Å; F720-R729 HydrophobicContact CE1-CG 4.29Å
721	Y	97.1	Very high	82	Confident	57 Å²	57	63.5 Å²	63.5	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.3	168.4	171.4	-99.1	0	0	0	108.8	V611 Y613 V727 T728	V611-Y721 HydrophobicContact CB-CE2 3.7Å; V611-Y721 HydrophobicContact CG1-CE2 4.06Å; V611-Y721 WeakPolarHBondContact CG1-OH 3.27Å; V611-Y721 HydrophobicContact CG2-CE2 3.7Å; Y613-Y721 HydrophobicContact CD1-CD2 4.1Å; Y613-Y721 AromaticContact CE1-CD2 3.5Å; Y613-Y721 HydrophobicContact CE1-CD2 3.5Å; Y613-Y721 VanDerWaalsContact CE1-CD2 3.5Å; Y613-Y721 HydrophobicContact CE1-CE2 4.37Å; Y613-Y721 HydrophobicContact CE1-CG 4.27Å; Y613-Y721 HydrophobicContact CE2-CD2 4.23Å; Y613-Y721 AromaticContact CZ-CD2 3.56Å; Y721-V727 VanDerWaalsContact O-CA 3.28Å; Y721-V727 WeakPolarHBondContact O-CA 3.24Å; Y721-T728 PolarHBondContact N-O 3.43Å; Y721-T728 PolarHBondContact O-N 3.34Å
722	C	96.8	Very high	84.6	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.3	-178.7	-59.7	0	0	0	0	109	Q51 A612 V727	Q51-C722 HydrophobicContact CG-CB 4.09Å; A612-C722 HydrophobicContact CB-CB 4.34Å; A612-C722 PolarHBondContact N-O 3.45Å; A612-C722 PolarHBondContact O-N 2.78Å; C722-V727 HydrophobicContact CB-CG2 4.48Å
723	S	96.8	Very high	87.3	Confident	23 Å²	23	54.3 Å²	54.3	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	92.7	171.5	171.8	0	0	0	0	108.1	H609 S725 H726	H609-S723 PolarHBondContact NE2-OG 2.97Å; S723-S725 PolarHBondContact O-N 3.36Å; S723-S725 VanDerWaalsContact O-N 3.16Å; S723-H726 PolarHBondContact N-O 2.89Å; S723-H726 WeakPolarHBondContact O-CB 3.46Å; S723-H726 PolarHBondContact O-N 3.35Å
724	D	96.2	Very high	89.6	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.112	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-116.6	-172.9	-61.8	-40.1	0	0	0	111.6	G36 L37 N39 C44 N47 H609 H726	G36-D724 CarbonylContact C-O 3.52Å; G36-D724 VanDerWaalsContact CA-O 3.22Å; G36-D724 WeakPolarHBondContact CA-O 3.32Å; L37-D724 PolarHBondContact N-O 3.28Å; L37-D724 CarbonylContact O-C 3.6Å; L37-D724 WeakPolarHBondContact O-CA 3.42Å; L37-D724 WeakPolarHBondContact O-CB 3.31Å; N39-D724 HydrophobicContact CB-CB 4.16Å; N39-D724 WeakPolarHBondContact CB-OD2 3.4Å; N39-D724 PolarHBondContact ND2-OD2 3.49Å; C44-D724 WeakPolarHBondContact CA-OD1 3.3Å; N47-D724 PolarHBondContact ND2-OD1 3.02Å; H609-D724 IonicContact CE1-OD2 3.98Å; H609-D724 PolarHBondContact CE1-OD2 3.39Å; D724-H726 VanDerWaalsContact C-N 3.27Å; D724-H726 PolarHBondContact O-N 2.74Å
725	S	94.5	Very high	91.9	Very high	63 Å²	63	43.6 Å²	43.6	44%	0.441	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.7	-178.5	56.2	0	0	0	0	113.1	L37 S723	L37-S725 PolarHBondContact O-N 3.22Å; S723-S725 PolarHBondContact O-N 3.36Å; S723-S725 VanDerWaalsContact O-N 3.16Å
726	H	94.8	Very high	93.5	Very high	102 Å²	102	43.8 Å²	43.8	47%	0.472	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.9	-177.7	-170.6	63	0	0	0	110.7	S723 D724 T728	S723-H726 PolarHBondContact N-O 2.89Å; S723-H726 WeakPolarHBondContact O-CB 3.46Å; S723-H726 PolarHBondContact O-N 3.35Å; D724-H726 VanDerWaalsContact C-N 3.27Å; D724-H726 PolarHBondContact O-N 2.74Å; H726-T728 VanDerWaalsContact CE1-CG2 3.48Å; H726-T728 WeakPolarHBondContact CE1-CG2 3.46Å; H726-T728 WeakPolarHBondContact NE2-CG2 3.44Å
727	V	94.7	Very high	94.4	Very high	22 Å²	22	46 Å²	46	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.5	176.1	-174.4	0	0	0	0	109.5	V32 V34 F720 Y721 C722	V32-V727 HydrophobicContact CG1-CG1 3.8Å; V34-V727 HydrophobicContact CB-CG1 3.93Å; V34-V727 HydrophobicContact CG1-CG1 3.95Å; F720-V727 HydrophobicContact CB-CG1 4.16Å; F720-V727 HydrophobicContact CD1-CG1 4.38Å; Y721-V727 VanDerWaalsContact O-CA 3.28Å; Y721-V727 WeakPolarHBondContact O-CA 3.24Å; C722-V727 HydrophobicContact CB-CG2 4.48Å
728	T	94.5	Very high	94.8	Very high	46 Å²	46	44.6 Å²	44.6	28%	0.282	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.2	179.8	51.5	0	0	0	0	111	F720 Y721 H726	F720-T728 CarbonylContact C-O 3.51Å; F720-T728 WeakPolarHBondContact CA-O 3.39Å; Y721-T728 PolarHBondContact N-O 3.43Å; Y721-T728 PolarHBondContact O-N 3.34Å; H726-T728 VanDerWaalsContact CE1-CG2 3.48Å; H726-T728 WeakPolarHBondContact CE1-CG2 3.46Å; H726-T728 WeakPolarHBondContact NE2-CG2 3.44Å
729	R	94.1	Very high	94.9	Very high	146 Å²	146	46.3 Å²	46.3	55%	0.551	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	140.5	171.9	-172.2	175.8	176.2	179.5	0	110.3	Q718 W719 F720	Q718-R729 VanDerWaalsContact CD-CZ 3.46Å; W719-R729 WeakPolarHBondContact O-CA 3.33Å; F720-R729 HydrophobicContact CD1-CB 4.17Å; F720-R729 HydrophobicContact CE1-CB 3.98Å; F720-R729 HydrophobicContact CE1-CG 4.29Å
730	V	95	Very high	95	Very high	31 Å²	31	46.1 Å²	46.1	19%	0.188	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	159.8	177.9	-65.7	0	0	0	0	111.2	Y613 W719 T734 V735	Y613-V730 HydrophobicContact CD1-CG2 4.03Å; Y613-V730 HydrophobicContact CE1-CG2 4.31Å; W719-V730 HydrophobicContact CB-CG2 3.93Å; W719-V730 PolarHBondContact O-N 2.83Å; V730-T734 HydrophobicContact CB-CG2 4.36Å; V730-V735 HydrophobicContact CG2-CG2 4.07Å
731	S	94.4	Very high	95.1	Very high	52 Å²	52	46 Å²	46	36%	0.364	25%	0.245	S	C	.	.			trans	-75.4	153.5	174.1	66.4	0	0	0	0	111.3	S733 T734 V735	S731-S733 PolarHBondContact O-N 3.11Å; S731-S733 PolarHBondContact OG-OG 3.48Å; S731-T734 WeakPolarHBondContact O-CB 3.3Å; S731-T734 PolarHBondContact O-N 2.85Å; S731-T734 PolarHBondContact OG-N 3.12Å; S731-T734 VanDerWaalsContact OG-N 3.15Å; S731-T734 PolarHBondContact OG-OG1 2.7Å; S731-V735 PolarHBondContact O-N 2.99Å
732	Q	93.9	Very high	95.1	Very high	85 Å²	85	43.2 Å²	43.2	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-56	-37.7	170.6	-179.7	174.8	-51.2	0	0	112.1	I572 T734 V735 L736	I572-Q732 HydrophobicContact CD1-CG 3.88Å; I572-Q732 HydrophobicContact CG1-CG 3.96Å; Q732-T734 VanDerWaalsContact C-N 3.26Å; Q732-T734 PolarHBondContact O-N 3.22Å; Q732-V735 WeakPolarHBondContact O-CB 3.37Å; Q732-V735 PolarHBondContact O-N 3.41Å; Q732-V735 VanDerWaalsContact O-N 3.11Å; Q732-L736 HydrophobicContact CG-CD1 4.06Å; Q732-L736 HydrophobicContact CG-CG 4.36Å; Q732-L736 WeakPolarHBondContact O-CG 3.28Å; Q732-L736 PolarHBondContact O-N 3.01Å
733	S	93.7	Very high	95.2	Very high	69 Å²	69	43.1 Å²	43.1	48%	0.483	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-35.1	175.8	56.8	0	0	0	0	112.6	S731 N737	S731-S733 PolarHBondContact O-N 3.11Å; S731-S733 PolarHBondContact OG-OG 3.48Å; S733-N737 WeakPolarHBondContact O-CB 3.44Å; S733-N737 PolarHBondContact O-N 2.7Å; S733-N737 VanDerWaalsContact O-N 3.11Å; S733-N737 PolarHBondContact O-ND2 3.47Å
734	T	95.6	Very high	95.2	Very high	58 Å²	58	42 Å²	42	36%	0.356	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-42.4	175	-56.9	0	0	0	0	110.8	Y613 V730 S731 Q732 N737 C738	Y613-T734 HydrophobicContact CE1-CG2 4.32Å; V730-T734 HydrophobicContact CB-CG2 4.36Å; S731-T734 WeakPolarHBondContact O-CB 3.3Å; S731-T734 PolarHBondContact O-N 2.85Å; S731-T734 PolarHBondContact OG-N 3.12Å; S731-T734 VanDerWaalsContact OG-N 3.15Å; S731-T734 PolarHBondContact OG-OG1 2.7Å; Q732-T734 VanDerWaalsContact C-N 3.26Å; Q732-T734 PolarHBondContact O-N 3.22Å; T734-N737 PolarHBondContact O-N 3.42Å; T734-C738 PolarHBondContact O-N 3.19Å
735	V	96.1	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-49.2	178.6	-176.7	0	0	0	0	111.1	F570 L595 V598 Y613 W719 V730 S731 Q732 N737 C738	F570-V735 WeakPolarHBondContact CZ-O 3.31Å; L595-V735 HydrophobicContact CD2-CG1 4.42Å; V598-V735 HydrophobicContact CG2-CG1 3.95Å; Y613-V735 HydrophobicContact CD1-CG2 3.79Å; Y613-V735 HydrophobicContact CG-CG1 4.37Å; Y613-V735 HydrophobicContact CG-CG2 4.23Å; W719-V735 HydrophobicContact CB-CG2 3.85Å; W719-V735 HydrophobicContact CD2-CB 4.42Å; W719-V735 HydrophobicContact CD2-CG1 4.34Å; W719-V735 HydrophobicContact CD2-CG2 3.73Å; W719-V735 HydrophobicContact CE3-CB 4.41Å; W719-V735 HydrophobicContact CE3-CG1 3.97Å; W719-V735 HydrophobicContact CE3-CG2 3.74Å; W719-V735 HydrophobicContact CG-CG2 3.79Å; W719-V735 HydrophobicContact CH2-CG1 4.28Å; W719-V735 HydrophobicContact CZ3-CG1 3.93Å; V730-V735 HydrophobicContact CG2-CG2 4.07Å; S731-V735 PolarHBondContact O-N 2.99Å; Q732-V735 WeakPolarHBondContact O-CB 3.37Å; Q732-V735 PolarHBondContact O-N 3.41Å; Q732-V735 VanDerWaalsContact O-N 3.11Å; V735-N737 PolarHBondContact O-N 3.42Å; V735-N737 VanDerWaalsContact O-N 3.16Å; V735-C738 PolarHBondContact O-N 2.8Å; V735-C738 VanDerWaalsContact O-N 3.16Å; V735-C738 PolarHBondContact O-SG 3.13Å
736	L	94.7	Very high	95.1	Very high	34 Å²	34	38.6 Å²	38.6	18%	0.178	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-18.4	178.6	-65	175.8	0	0	0	113.2	F570 I572 Q732	F570-L736 HydrophobicContact CD2-CD2 4.27Å; F570-L736 HydrophobicContact CE2-CD2 4.17Å; F570-L736 WeakPolarHBondContact O-CD2 3.39Å; I572-L736 HydrophobicContact CD1-CD1 4.5Å; I572-L736 HydrophobicContact CD1-CD2 3.7Å; I572-L736 HydrophobicContact CD1-CG 4.16Å; I572-L736 HydrophobicContact CG1-CD1 4.25Å; I572-L736 HydrophobicContact CG1-CD2 3.99Å; I572-L736 HydrophobicContact CG1-CG 4.43Å; Q732-L736 HydrophobicContact CG-CD1 4.06Å; Q732-L736 HydrophobicContact CG-CG 4.36Å; Q732-L736 WeakPolarHBondContact O-CG 3.28Å; Q732-L736 PolarHBondContact O-N 3.01Å
737	N	93.5	Very high	94.9	Very high	87 Å²	87	35.4 Å²	35.4	47%	0.465	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.4	178.3	-70.6	-23.2	0	0	0	114.6	R567 S733 T734 V735	R567-N737 PolarHBondContact NH1-O 3.48Å; R567-N737 PolarHBondContact NH2-OD1 3.2Å; S733-N737 WeakPolarHBondContact O-CB 3.44Å; S733-N737 PolarHBondContact O-N 2.7Å; S733-N737 VanDerWaalsContact O-N 3.11Å; S733-N737 PolarHBondContact O-ND2 3.47Å; T734-N737 PolarHBondContact O-N 3.42Å; V735-N737 PolarHBondContact O-N 3.42Å; V735-N737 VanDerWaalsContact O-N 3.16Å
738	C	94.1	Very high	94.5	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.047	19%	0.186	C	C	.	.	S	Bend	trans	-74.5	160	-177.1	80	0	0	0	0	113.2	E600 Y613 T734 V735 A740	E600-C738 WeakPolarHBondContact OE2-CB 3.11Å; Y613-C738 HydrophobicContact CD2-CB 4.4Å; Y613-C738 HydrophobicContact CE2-CB 3.69Å; T734-C738 PolarHBondContact O-N 3.19Å; V735-C738 PolarHBondContact O-N 2.8Å; V735-C738 VanDerWaalsContact O-N 3.16Å; V735-C738 PolarHBondContact O-SG 3.13Å; C738-A740 VanDerWaalsContact C-N 3.26Å; C738-A740 PolarHBondContact O-N 2.96Å
739	Q	93.1	Very high	93.3	Very high	58 Å²	58	39.5 Å²	39.5	27%	0.271	20%	0.201	S	C	.	.			trans	-83.6	68.5	173.1	-63.5	-173.4	-8.2	0	0	111	E600 Y741	E600-Q739 HydrophobicContact CG-CB 4.38Å; E600-Q739 WeakPolarHBondContact OE1-CB 3.31Å; E600-Q739 PolarHBondContact OE1-N 3.42Å; Q739-Y741 PolarHBondContact O-N 3.02Å
740	A	96	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	134.8	-177	0	0	0	0	0	112.8	L551 R553 F570 V598 C738 L743	L551-A740 HydrophobicContact CD1-CB 4.45Å; L551-A740 WeakPolarHBondContact CD1-O 3.5Å; R553-A740 PolarHBondContact NE-O 3.48Å; R553-A740 PolarHBondContact NH2-O 3.23Å; F570-A740 HydrophobicContact CD1-CB 3.92Å; F570-A740 HydrophobicContact CE1-CB 3.34Å; F570-A740 HydrophobicContact CZ-CB 3.82Å; V598-A740 HydrophobicContact CG1-CB 3.56Å; C738-A740 VanDerWaalsContact C-N 3.26Å; C738-A740 PolarHBondContact O-N 2.96Å; A740-L743 HydrophobicContact CB-CD2 3.64Å; A740-L743 HydrophobicContact CB-CG 4.21Å
741	Y	97	Very high	93.2	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-46.3	176.7	178	-123.6	0	0	0	111.3	D145 S146 H147 H550 L551 R553 F554 I599 H601 Y610 Q739	D145-Y741 WeakPolarHBondContact OD1-CE1 3.46Å; D145-Y741 PolarHBondContact OD1-OH 3.11Å; D145-Y741 PolarHBondContact OD2-OH 3.18Å; S146-Y741 WeakPolarHBondContact OG-CD1 3.33Å; S146-Y741 VanDerWaalsContact OG-CE1 3.3Å; S146-Y741 WeakPolarHBondContact OG-CE1 3.36Å; H147-Y741 HydrophobicContact CB-CE1 4.19Å; H147-Y741 WeakPolarHBondContact CB-OH 3.33Å; H550-Y741 AromaticContact CD2-CE2 3.56Å; H550-Y741 AromaticContact CD2-CZ 3.63Å; H550-Y741 AromaticContact NE2-CE2 3.33Å; H550-Y741 VanDerWaalsContact NE2-CE2 3.33Å; H550-Y741 WeakPolarHBondContact NE2-CE2 3.47Å; H550-Y741 AromaticContact NE2-CZ 3.45Å; H550-Y741 PolarHBondContact NE2-OH 2.94Å; L551-Y741 PolarHBondContact N-O 2.91Å; L551-Y741 WeakPolarHBondContact O-CE2 3.03Å; R553-Y741 HydrophobicContact CB-CD2 4.32Å; R553-Y741 HydrophobicContact CB-CE2 4.49Å; R553-Y741 HydrophobicContact CG-CD2 4.27Å; F554-Y741 HydrophobicContact CD2-CE2 4.01Å; F554-Y741 HydrophobicContact CE2-CD2 4.41Å; F554-Y741 HydrophobicContact CE2-CE1 4.44Å; F554-Y741 AromaticContact CE2-CE2 3.74Å; F554-Y741 HydrophobicContact CE2-CE2 3.74Å; F554-Y741 AromaticContact CE2-CZ 3.79Å; I599-Y741 HydrophobicContact CG2-CD1 4.38Å; I599-Y741 WeakPolarHBondContact O-CA 3.42Å; I599-Y741 WeakPolarHBondContact O-CB 3.32Å; I599-Y741 PolarHBondContact O-N 3.22Å; H601-Y741 HydrophobicContact CB-CG 4.44Å; Y610-Y741 HydrophobicContact CD1-CD1 4.48Å; Y610-Y741 AromaticContact CE1-CD1 3.75Å; Y610-Y741 HydrophobicContact CE1-CD1 3.75Å; Y610-Y741 AromaticContact CE1-CE1 3.92Å; Y610-Y741 HydrophobicContact CE1-CE1 3.92Å; Q739-Y741 PolarHBondContact O-N 3.02Å
742	V	98	Very high	93.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.2	170.8	-174.1	0	0	0	0	109	H147 I150 T548 I549 V598 I599 F744	H147-V742 HydrophobicContact CB-CG2 4.31Å; I150-V742 HydrophobicContact CD1-CG1 4.38Å; T548-V742 HydrophobicContact CG2-CG1 3.68Å; I549-V742 CarbonylContact O-C 3.5Å; I549-V742 WeakPolarHBondContact O-CA 3.49Å; V598-V742 CarbonylContact C-O 3.05Å; V598-V742 WeakPolarHBondContact CA-O 3.34Å; I599-V742 HydrophobicContact CB-CB 4.17Å; I599-V742 HydrophobicContact CD1-CB 4.23Å; I599-V742 HydrophobicContact CG1-CB 4.46Å; I599-V742 PolarHBondContact N-O 3.03Å; I599-V742 PolarHBondContact O-N 2.79Å; V742-F744 HydrophobicContact CB-CE2 4.18Å; V742-F744 HydrophobicContact CG1-CD2 4.24Å; V742-F744 HydrophobicContact CG1-CE2 3.62Å; V742-F744 HydrophobicContact CG1-CZ 3.86Å
743	L	98.3	Very high	93.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.4	178.1	-59.8	163.5	0	0	0	109.3	I476 T548 I549 F570 L595 V598 A740 Y745	I476-L743 HydrophobicContact CD1-CD1 3.9Å; I476-L743 HydrophobicContact CG1-CD1 4.4Å; T548-L743 WeakPolarHBondContact CA-O 3.49Å; I549-L743 HydrophobicContact CB-CB 4.3Å; I549-L743 PolarHBondContact N-O 3.49Å; I549-L743 PolarHBondContact O-N 2.82Å; F570-L743 HydrophobicContact CB-CD1 3.89Å; F570-L743 HydrophobicContact CB-CD2 4.41Å; F570-L743 HydrophobicContact CD1-CD1 4.35Å; F570-L743 HydrophobicContact CD1-CD2 3.99Å; F570-L743 HydrophobicContact CD2-CD2 3.63Å; F570-L743 HydrophobicContact CE1-CD2 4.19Å; F570-L743 HydrophobicContact CE2-CD2 3.82Å; F570-L743 HydrophobicContact CG-CD1 4.04Å; F570-L743 HydrophobicContact CG-CD2 3.73Å; F570-L743 HydrophobicContact CZ-CD2 4.1Å; L595-L743 HydrophobicContact CD1-CB 4.23Å; L595-L743 HydrophobicContact CD1-CD2 4.04Å; V598-L743 HydrophobicContact CB-CD2 4.43Å; V598-L743 HydrophobicContact CG1-CD2 3.91Å; V598-L743 HydrophobicContact CG2-CD2 3.89Å; A740-L743 HydrophobicContact CB-CD2 3.64Å; A740-L743 HydrophobicContact CB-CG 4.21Å; L743-Y745 HydrophobicContact CB-CD2 4.11Å; L743-Y745 HydrophobicContact CB-CE2 3.75Å; L743-Y745 HydrophobicContact CD1-CE2 4.2Å; L743-Y745 HydrophobicContact CG-CE2 4.46Å
744	F	97.7	Very high	93	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.9	177.5	-64	-96.6	0	0	0	110.2	C52 L53 I150 T548 Y596 G597 I599 V742	C52-F744 HydrophobicContact CB-CD2 3.58Å; C52-F744 HydrophobicContact CB-CE1 4.4Å; C52-F744 HydrophobicContact CB-CE2 3.37Å; C52-F744 HydrophobicContact CB-CG 4.18Å; C52-F744 HydrophobicContact CB-CZ 3.81Å; L53-F744 HydrophobicContact CD2-CE1 3.99Å; I150-F744 HydrophobicContact CD1-CZ 3.76Å; T548-F744 HydrophobicContact CG2-CD1 4.23Å; T548-F744 HydrophobicContact CG2-CE1 3.95Å; T548-F744 HydrophobicContact CG2-CZ 4.38Å; Y596-F744 HydrophobicContact CD1-CB 4.27Å; Y596-F744 WeakPolarHBondContact CD1-O 3.24Å; Y596-F744 HydrophobicContact CD2-CB 4.45Å; Y596-F744 HydrophobicContact CE1-CB 3.71Å; Y596-F744 HydrophobicContact CE2-CB 3.91Å; Y596-F744 PolarHBondContact N-O 2.76Å; G597-F744 PolarHBondContact N-O 2.86Å; G597-F744 PolarHBondContact O-N 2.84Å; I599-F744 HydrophobicContact CD1-CE2 3.82Å; I599-F744 HydrophobicContact CD1-CZ 4.23Å; I599-F744 HydrophobicContact CG1-CE2 4.03Å; V742-F744 HydrophobicContact CB-CE2 4.18Å; V742-F744 HydrophobicContact CG1-CD2 4.24Å; V742-F744 HydrophobicContact CG1-CE2 3.62Å; V742-F744 HydrophobicContact CG1-CZ 3.86Å
745	Y	95.9	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.1	-175.3	-82.6	-81.3	0	0	0	110	I546 L547 I549 P571 L574 R594 L595 L743	I546-Y745 CarbonylContact C-O 3.55Å; I546-Y745 WeakPolarHBondContact CA-O 3.46Å; L547-Y745 PolarHBondContact N-O 3.47Å; L547-Y745 PolarHBondContact O-N 3.38Å; I549-Y745 HydrophobicContact CD1-CD2 4.16Å; I549-Y745 HydrophobicContact CD1-CE2 4.23Å; P571-Y745 PolarHBondContact O-OH 3.43Å; L574-Y745 HydrophobicContact CB-CD1 3.96Å; L574-Y745 HydrophobicContact CB-CE1 3.58Å; L574-Y745 HydrophobicContact CD2-CD1 4.43Å; L574-Y745 HydrophobicContact CD2-CD2 4.16Å; L574-Y745 HydrophobicContact CD2-CE1 4.3Å; L574-Y745 HydrophobicContact CD2-CE2 3.99Å; L574-Y745 HydrophobicContact CD2-CG 4.38Å; R594-Y745 CarbonylContact O-C 3.53Å; R594-Y745 WeakPolarHBondContact O-CA 3.36Å; L595-Y745 HydrophobicContact CB-CD1 4.02Å; L595-Y745 HydrophobicContact CB-CE1 3.59Å; L595-Y745 HydrophobicContact CD1-CD1 4.23Å; L595-Y745 HydrophobicContact CD1-CD2 4.02Å; L595-Y745 HydrophobicContact CD1-CE1 3.83Å; L595-Y745 HydrophobicContact CD1-CE2 3.62Å; L595-Y745 HydrophobicContact CD1-CG 4.31Å; L595-Y745 VanDerWaalsContact CD1-CZ 3.49Å; L595-Y745 HydrophobicContact CG-CE1 4.3Å; L743-Y745 HydrophobicContact CB-CD2 4.11Å; L743-Y745 HydrophobicContact CB-CE2 3.75Å; L743-Y745 HydrophobicContact CD1-CE2 4.2Å; L743-Y745 HydrophobicContact CG-CE2 4.46Å
746	E	92.8	Very high	92.6	Very high	12 Å²	12	27.7 Å²	27.7	6%	0.056	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.6	169.6	65	-177.1	168.1	0	0	108.8	P57 Y593 R594 Y596 R717	P57-E746 HydrophobicContact CG-CB 3.9Å; P57-E746 VanDerWaalsContact CG-OE2 3.31Å; P57-E746 WeakPolarHBondContact CG-OE2 3.34Å; Y593-E746 CarbonylContact C-O 3.5Å; Y593-E746 WeakPolarHBondContact CA-O 3.5Å; Y593-E746 WeakPolarHBondContact CB-O 3.49Å; Y593-E746 VanDerWaalsContact CD1-C 3.44Å; R594-E746 HydrophobicContact CB-CG 4.2Å; R594-E746 IonicContact CZ-OE1 3.35Å; R594-E746 PolarHBondContact N-O 3.36Å; R594-E746 IonicContact NE-OE1 3.66Å; R594-E746 PolarHBondContact NE-OE1 2.95Å; R594-E746 IonicContact NH2-OE1 3.31Å; R594-E746 PolarHBondContact NH2-OE1 2.72Å; R594-E746 PolarHBondContact O-N 2.89Å; Y596-E746 HydrophobicContact CD1-CB 3.91Å; Y596-E746 HydrophobicContact CD1-CG 4.2Å; Y596-E746 HydrophobicContact CE1-CB 4.17Å; R717-E746 IonicContact CZ-OE1 3.85Å; R717-E746 IonicContact NH1-OE1 2.99Å; R717-E746 IonicContact NH2-OE1 2.92Å; R717-E746 PolarHBondContact NH2-OE1 2.73Å; R717-E746 VanDerWaalsContact NH2-OE1 3.13Å
747	R	89.9	Confident	92.4	Very high	35 Å²	35	27.2 Å²	27.2	13%	0.132	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	146.7	177.9	-167.2	179.1	160.1	-176.4	3.1	109.5	P545 R592 Y593 F635	P545-R747 WeakPolarHBondContact O-CB 3.26Å; P545-R747 PolarHBondContact O-N 3.13Å; R592-R747 WeakPolarHBondContact O-CA 3.49Å; R592-R747 WeakPolarHBondContact O-CG 3.45Å; Y593-R747 VanDerWaalsContact CD1-CA 3.47Å; Y593-R747 HydrophobicContact CD1-CB 3.81Å; Y593-R747 HydrophobicContact CD1-CG 4.44Å; Y593-R747 VanDerWaalsContact CD1-N 3.33Å; Y593-R747 HydrophobicContact CD2-CG 4.45Å; Y593-R747 HydrophobicContact CE1-CB 3.48Å; Y593-R747 VanDerWaalsContact CE1-CB 3.48Å; Y593-R747 HydrophobicContact CE1-CG 4.07Å; Y593-R747 HydrophobicContact CE2-CB 4.36Å; Y593-R747 HydrophobicContact CE2-CG 4.04Å; Y593-R747 HydrophobicContact CG-CB 4.37Å; F635-R747 HydrophobicContact CD1-CB 4.19Å; F635-R747 WeakPolarHBondContact CD1-O 3.42Å; F635-R747 WeakPolarHBondContact CD2-O 3.38Å; F635-R747 HydrophobicContact CE1-CB 3.44Å; F635-R747 VanDerWaalsContact CE1-CB 3.44Å; F635-R747 HydrophobicContact CE1-CG 3.85Å; F635-R747 HydrophobicContact CE2-CB 3.8Å; F635-R747 HydrophobicContact CE2-CG 3.61Å; F635-R747 VanDerWaalsContact CE2-O 3.32Å; F635-R747 WeakPolarHBondContact CE2-O 3.48Å; F635-R747 WeakPolarHBondContact CG-O 3.41Å; F635-R747 HydrophobicContact CZ-CB 3.26Å; F635-R747 HydrophobicContact CZ-CG 3.14Å
748	I	86.8	Confident	92.4	Very high	26 Å²	26	22.3 Å²	22.3	13%	0.133	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151	176.5	60.3	172.3	0	0	0	109.1	Y573 R592 R594 F635	Y573-I748 HydrophobicContact CD1-CD1 3.54Å; Y573-I748 HydrophobicContact CE1-CD1 3.77Å; R592-I748 HydrophobicContact CB-CD1 3.99Å; R592-I748 HydrophobicContact CB-CG1 3.63Å; R592-I748 PolarHBondContact O-N 3Å; R594-I748 HydrophobicContact CB-CD1 4.46Å; R594-I748 HydrophobicContact CB-CG2 3.8Å; F635-I748 VanDerWaalsContact CE2-CA 3.45Å; F635-I748 VanDerWaalsContact CE2-N 3.35Å
749	E	68.7	Low	92.2	Very high	128 Å²	128	23.6 Å²	23.6	60%	0.598	11%	0.109	S	C	*	.			trans	-73.3	0	178.7	-118.5	162.4	-157.4	0	0	113.7	R592 I636	R592-E749 PolarHBondContact NH2-O 2.93Å; I636-E749 HydrophobicContact CD1-CB 3.24Å; I636-E749 HydrophobicContact CD1-CG 3.14Å; I636-E749 VanDerWaalsContact CD1-OE1 3.32Å; I636-E749 WeakPolarHBondContact CD1-OE1 3.5Å; I636-E749 WeakPolarHBondContact CD1-OE2 3.17Å; I636-E749 HydrophobicContact CG1-CB 4.49Å; I636-E749 HydrophobicContact CG1-CG 3.93Å; I636-E749 WeakPolarHBondContact CG1-OE1 3.28Å; I636-E749 HydrophobicContact CG2-CG 4.05Å; I636-E749 WeakPolarHBondContact CG2-OE1 3.32Å

Retrieved 749 of 749 residues in 205.8 ms (Link to these results)

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