G4VRX9_SCHMA Loading...

ATM interactor

AlphaFold DB , UniProt , Accession G4VRX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 656 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	33.4	Very low	38.8	Very low	247 Å²	247	131.4 Å²	131.4	100%	1.217	73%	0.728	S	S	*	*				0	124.1	0	-66.8	172.9	178.1	0	0	106.7
2	G	37.7	Very low	38.5	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-101.6	123.1	176.7	0	0	0	0	0	110.1
3	T	39.8	Very low	38.5	Very low	129 Å²	129	134.2 Å²	134.2	79%	0.791	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-90.5	120.6	175	43.3	0	0	0	0	109.3	E5	T3-E5 PolarHBondContact O-N 3.44Å
4	C	39.4	Very low	38.9	Very low	79 Å²	79	132.5 Å²	132.5	53%	0.534	75%	0.746	S	S	.	*	P	Polyproline II helix	trans	-77.2	119.4	168	-66.9	0	0	0	0	108.8	V6	C4-V6 PolarHBondContact O-N 2.65Å
5	E	38.9	Very low	38.9	Very low	133 Å²	133	136.6 Å²	136.6	62%	0.621	75%	0.752	S	S	*	*			trans	-78.3	113.8	170.6	-67.7	-178.1	167.5	0	0	109.3	T3 Y7	T3-E5 PolarHBondContact O-N 3.44Å; E5-Y7 HydrophobicContact CB-CD2 4.27Å; E5-Y7 HydrophobicContact CB-CE2 3.82Å; E5-Y7 PolarHBondContact OE2-OH 3.06Å
6	V	45.8	Very low	39.2	Very low	81 Å²	81	136.8 Å²	136.8	49%	0.491	75%	0.752	S	S	.	*			trans	-94.1	107.7	172.8	-177.6	0	0	0	0	107.7	C4 H8 L32	C4-V6 PolarHBondContact O-N 2.65Å; V6-H8 PolarHBondContact O-N 3.17Å; V6-L32 HydrophobicContact CG1-CD2 3.84Å
7	Y	37.7	Very low	39.2	Very low	177 Å²	177	136.9 Å²	136.9	69%	0.694	75%	0.751	S	S	*	*			trans	-81.9	109.1	175.7	-78.2	-93.8	0	0	0	110.1	E5	E5-Y7 HydrophobicContact CB-CD2 4.27Å; E5-Y7 HydrophobicContact CB-CE2 3.82Å; E5-Y7 PolarHBondContact OE2-OH 3.06Å
8	H	38.8	Very low	39.2	Very low	122 Å²	122	137.6 Å²	137.6	57%	0.565	75%	0.754	S	S	*	*			trans	-96.9	120.8	165.9	-70.9	-83.9	0	0	0	109.6	V6 F10	V6-H8 PolarHBondContact O-N 3.17Å; H8-F10 HydrophobicContact CB-CD2 3.91Å; H8-F10 HydrophobicContact CB-CE2 3.58Å; H8-F10 HydrophobicContact CB-CZ 4.36Å
9	S	39.2	Very low	39.5	Very low	121 Å²	121	140.7 Å²	140.7	85%	0.846	76%	0.763	S	S	*	*			trans	-94.1	91.1	173.2	-61.4	0	0	0	0	109.9
10	F	35.5	Very low	39.4	Very low	160 Å²	160	143.1 Å²	143.1	70%	0.702	77%	0.768	S	S	*	*			trans	-91	129.6	172.4	-71.3	-71.8	0	0	0	111	H8	H8-F10 HydrophobicContact CB-CD2 3.91Å; H8-F10 HydrophobicContact CB-CE2 3.58Å; H8-F10 HydrophobicContact CB-CZ 4.36Å
11	P	40.3	Very low	39.5	Very low	125 Å²	125	142.2 Å²	142.2	81%	0.812	77%	0.768	S	S	*	*			trans	-66.4	140	165.9	-15.8	30.4	0	0	0	110.6
12	S	35.8	Very low	39.5	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	75%	0.746	S	S	*	*			trans	-106.1	118	-178.3	57.6	0	0	0	0	111.8
13	E	38.4	Very low	39.4	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	75%	0.751	S	S	*	*			trans	-157.5	137.9	156.4	-123.4	159.6	-158.4	0	0	115.3
14	S	43.3	Very low	39	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	76%	0.757	S	S	*	*			trans	36	131.1	160.8	51.1	0	0	0	0	122.7
15	K	39.6	Very low	38.8	Very low	194 Å²	194	146.2 Å²	146.2	84%	0.843	76%	0.763	S	S	*	*			trans	-71.4	146.5	164.3	-55.1	166.6	-179.1	174.9	0	110.9
16	D	43.6	Very low	38.7	Very low	139 Å²	139	148.2 Å²	148.2	74%	0.743	78%	0.776	S	S	*	*				-176.7	131.2	117.9	-96.8	-8.2	0	0	0	114
17	N	38.7	Very low	38.1	Very low	139 Å²	139	149.9 Å²	149.9	74%	0.743	79%	0.787	S	S	*	*			trans	61.6	132.9	149.5	-54.6	-47.7	0	0	0	122.7
18	D	39.8	Very low	38.4	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	79%	0.791	S	S	*	*			trans	-66.1	141.8	-177.1	-43.3	-77.4	0	0	0	114.8
19	Q	45.7	Very low	39	Very low	198 Å²	198	148.7 Å²	148.7	93%	0.925	80%	0.8	S	S	*	*				-173.2	156.3	120.6	-103.1	165.3	-14.6	0	0	113
20	E	36.6	Very low	40.1	Very low	187 Å²	187	147.6 Å²	147.6	87%	0.874	78%	0.784	S	S	*	*			trans	-60.7	145.4	-178	-62.6	167.1	102.6	0	0	113.3
21	V	41.1	Very low	41.9	Very low	125 Å²	125	142.7 Å²	142.7	76%	0.758	77%	0.768	S	S	*	*				171.2	126.7	120.4	154.4	0	0	0	0	110.5	N23	V21-N23 PolarHBondContact O-N 3.39Å
22	N	33.4	Very low	43.7	Very low	141 Å²	141	139.3 Å²	139.3	75%	0.754	74%	0.742	S	S	*	*			trans	2.6	101.8	158.3	-54.3	-40.8	0	0	0	118.6
23	N	36.4	Very low	45.8	Very low	158 Å²	158	138 Å²	138	85%	0.845	72%	0.724	S	S	*	*			trans	166.2	99.8	131.5	-87	-26.1	0	0	0	109.8	V21 P25	V21-N23 PolarHBondContact O-N 3.39Å; N23-P25 WeakPolarHBondContact O-CD 3.24Å
24	F	32.1	Very low	47.8	Very low	209 Å²	209	130.6 Å²	130.6	92%	0.917	69%	0.691	S	S	*	*			trans	-77.7	120.3	167.5	-91.7	-84.4	0	0	0	109.7
25	P	34.8	Very low	49.6	Very low	103 Å²	103	128 Å²	128	67%	0.669	67%	0.67	S	S	*	*			trans	-72.6	130.6	176.5	29.3	-32.9	0	0	0	110.7	N23 T27	N23-P25 WeakPolarHBondContact O-CD 3.24Å; P25-T27 PolarHBondContact O-N 3.17Å; P25-T27 VanDerWaalsContact O-N 3.08Å
26	I	35.6	Very low	51.5	Low	174 Å²	174	119.2 Å²	119.2	89%	0.892	63%	0.633	S	S	*	*			trans	-81.5	82.1	178.6	-55	171.2	0	0	0	109
27	T	33.7	Very low	53.1	Low	116 Å²	116	115 Å²	115	71%	0.712	62%	0.615	S	S	*	*			trans	-150.2	65.9	176.7	53.8	0	0	0	0	114.3	P25	P25-T27 PolarHBondContact O-N 3.17Å; P25-T27 VanDerWaalsContact O-N 3.08Å
28	E	43.1	Very low	55.1	Low	166 Å²	166	113.3 Å²	113.3	78%	0.776	60%	0.602	S	S	*	*			trans	-139.2	134.5	151.5	-72.5	-162.5	163.8	0	0	109.9	N30	E28-N30 PolarHBondContact O-N 3.19Å
29	S	51.9	Low	56.6	Low	108 Å²	108	110 Å²	110	76%	0.755	59%	0.59	S	S	*	*			trans	-74.3	114.3	-175	51.2	0	0	0	0	111.4	V31	S29-V31 VanDerWaalsContact C-N 3.26Å; S29-V31 PolarHBondContact O-N 3.5Å
30	N	63.7	Low	58.1	Low	98 Å²	98	103.5 Å²	103.5	52%	0.524	56%	0.56	S	S	.	*			trans	-69.1	69.6	-177.5	-64.5	-39.5	0	0	0	113.7	E28 N90 V91 S92	E28-N30 PolarHBondContact O-N 3.19Å; N30-N90 WeakPolarHBondContact CB-O 3.27Å; N30-N90 PolarHBondContact ND2-O 3.03Å; N30-V91 HydrophobicContact CB-CG2 4.23Å; N30-S92 PolarHBondContact O-N 3.42Å; N30-S92 PolarHBondContact O-OG 3.04Å; N30-S92 VanDerWaalsContact O-OG 3.05Å
31	V	73.1	Confident	59.9	Low	58 Å²	58	94.6 Å²	94.6	35%	0.352	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.7	176.1	-169.2	0	0	0	0	109.4	S29 S92 I94	S29-V31 VanDerWaalsContact C-N 3.26Å; S29-V31 PolarHBondContact O-N 3.5Å; V31-S92 WeakPolarHBondContact CA-OG 3.28Å; V31-I94 HydrophobicContact CG1-CD1 3.5Å; V31-I94 HydrophobicContact CG1-CG1 3.8Å
32	L	77.4	Confident	61.4	Low	53 Å²	53	91 Å²	91	28%	0.277	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.9	-179.7	-101.8	155.8	0	0	0	110.8	V6 V91 S92 Y93 I94	V6-L32 HydrophobicContact CG1-CD2 3.84Å; L32-V91 HydrophobicContact CB-CG1 4.13Å; L32-V91 HydrophobicContact CD1-CG1 3.68Å; L32-V91 HydrophobicContact CG-CG1 4.38Å; L32-S92 PolarHBondContact N-O 3.23Å; L32-Y93 HydrophobicContact CB-CD1 3.66Å; L32-Y93 HydrophobicContact CB-CE1 3.66Å; L32-Y93 HydrophobicContact CD1-CE1 3.99Å; L32-Y93 HydrophobicContact CG-CE1 4.41Å; L32-Y93 WeakPolarHBondContact O-CA 3.14Å; L32-I94 PolarHBondContact O-N 3.49Å
33	H	80	Confident	63.3	Low	84 Å²	84	88 Å²	88	39%	0.389	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.6	175.5	-69	-100.2	0	0	0	110.2	I94 H96	H33-I94 CarbonylContact C-O 3.41Å; H33-I94 WeakPolarHBondContact CA-O 3.4Å; H33-H96 AromaticContact CE1-NE2 3.77Å; H33-H96 AromaticContact CG-NE2 3.87Å; H33-H96 AromaticContact ND1-CD2 3.77Å; H33-H96 AromaticContact ND1-CE1 3.9Å; H33-H96 AromaticContact ND1-NE2 2.87Å; H33-H96 PolarHBondContact ND1-NE2 3.42Å
34	V	80.2	Confident	64.6	Low	32 Å²	32	84.4 Å²	84.4	19%	0.194	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.5	-174.9	-174.6	0	0	0	0	109.9	I36 Y93 I94 Y95 H96	V34-I36 HydrophobicContact CG1-CD1 4.48Å; V34-I36 HydrophobicContact CG1-CG1 3.89Å; V34-Y93 HydrophobicContact CG2-CD1 3.99Å; V34-I94 PolarHBondContact N-O 3.05Å; V34-Y95 HydrophobicContact CB-CD1 4.07Å; V34-Y95 HydrophobicContact CB-CE1 4.25Å; V34-Y95 HydrophobicContact CG1-CD1 4.3Å; V34-Y95 HydrophobicContact CG1-CE1 4.31Å; V34-Y95 WeakPolarHBondContact O-CA 3.19Å; V34-H96 PolarHBondContact O-N 3.16Å
35	V	80.5	Confident	66.1	Low	56 Å²	56	77.4 Å²	77.4	34%	0.339	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.9	165.6	-175.4	0	0	0	0	107.6	H96 P98	V35-H96 HydrophobicContact CG2-CB 4.21Å; V35-P98 HydrophobicContact CG1-CB 4.06Å
36	I	79.7	Confident	67.6	Low	10 Å²	10	77.1 Å²	77.1	5%	0.051	43%	0.426	C	S	.	.			trans	-107.7	137.3	-179.7	-62.1	178.9	0	0	0	109	V34 E40 L41 Y95 P98 Y115 L118	V34-I36 HydrophobicContact CG1-CD1 4.48Å; V34-I36 HydrophobicContact CG1-CG1 3.89Å; I36-E40 HydrophobicContact CG2-CB 3.86Å; I36-E40 HydrophobicContact CG2-CG 4.05Å; I36-L41 HydrophobicContact CB-CD1 4.49Å; I36-L41 HydrophobicContact CB-CD2 4.41Å; I36-L41 HydrophobicContact CB-CG 4.39Å; I36-L41 HydrophobicContact CG2-CD2 4.13Å; I36-L41 HydrophobicContact CG2-CG 3.96Å; I36-Y95 HydrophobicContact CD1-CD1 3.71Å; I36-Y95 HydrophobicContact CD1-CE1 3.94Å; I36-Y95 HydrophobicContact CG1-CD1 4.43Å; I36-P98 WeakPolarHBondContact O-CB 3.34Å; I36-P98 WeakPolarHBondContact O-CG 3.22Å; I36-Y115 HydrophobicContact CD1-CD2 3.28Å; I36-Y115 HydrophobicContact CD1-CE2 3.51Å; I36-Y115 HydrophobicContact CD1-CG 4.31Å; I36-Y115 HydrophobicContact CG2-CE2 4.45Å; I36-L118 HydrophobicContact CB-CD2 4.44Å; I36-L118 HydrophobicContact CD1-CD2 4.35Å
37	S	78	Confident	68.8	Low	52 Å²	52	71.5 Å²	71.5	36%	0.364	40%	0.402	S	S	.	.			trans	-65.8	145.6	-179.6	63.4	0	0	0	0	111.9	S39 E40 L41	S37-S39 PolarHBondContact O-N 3.24Å; S37-S39 VanDerWaalsContact O-N 3.1Å; S37-S39 PolarHBondContact OG-OG 3.41Å; S37-E40 PolarHBondContact O-N 3.33Å; S37-L41 PolarHBondContact O-N 3.16Å
38	E	79.5	Confident	70.8	Confident	102 Å²	102	69.6 Å²	69.6	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-49.5	-38.1	175.5	163.7	161.7	-139.7	0	0	112.6	E40 L41 T42 Y122	E38-E40 VanDerWaalsContact C-N 3.31Å; E38-E40 PolarHBondContact O-N 3.23Å; E38-L41 PolarHBondContact O-N 3.42Å; E38-T42 HydrophobicContact CG-CG2 4.12Å; E38-T42 WeakPolarHBondContact O-CB 3.24Å; E38-T42 WeakPolarHBondContact O-CG2 3.3Å; E38-T42 PolarHBondContact O-N 2.99Å; E38-T42 PolarHBondContact O-OG1 3.5Å; E38-Y122 HydrophobicContact CG-CE1 4.27Å; E38-Y122 WeakPolarHBondContact CG-OH 3.44Å; E38-Y122 PolarHBondContact OE1-OH 3.4Å
39	S	71.3	Confident	72.5	Confident	79 Å²	79	62.9 Å²	62.9	55%	0.552	36%	0.357	S	S	*	.	H	α-helix	trans	-59.4	-33.2	178	49.5	0	0	0	0	114.4	S37 T42 E43	S37-S39 PolarHBondContact O-N 3.24Å; S37-S39 VanDerWaalsContact O-N 3.1Å; S37-S39 PolarHBondContact OG-OG 3.41Å; S39-T42 WeakPolarHBondContact CA-OG1 3.37Å; S39-T42 PolarHBondContact O-OG1 3.46Å; S39-E43 WeakPolarHBondContact O-CB 3.39Å; S39-E43 PolarHBondContact O-N 2.86Å; S39-E43 VanDerWaalsContact O-N 3.07Å
40	E	77.4	Confident	74	Confident	62 Å²	62	61 Å²	61	29%	0.29	34%	0.342	S	S	.	.	H	α-helix	trans	-86.5	-28.4	178.4	179.1	160.5	-143.9	0	0	112.3	I36 S37 E38 T42 K61 K119	I36-E40 HydrophobicContact CG2-CB 3.86Å; I36-E40 HydrophobicContact CG2-CG 4.05Å; S37-E40 PolarHBondContact O-N 3.33Å; E38-E40 VanDerWaalsContact C-N 3.31Å; E38-E40 PolarHBondContact O-N 3.23Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-K61 IonicContact OE1-NZ 3.98Å; E40-K119 PolarHBondContact O-NZ 3.22Å
41	L	74.2	Confident	75	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-72.1	-30.8	173	-62.1	168.6	0	0	0	111.8	I36 S37 E38 P98 Y115 L118 K119 Y122 Q123	I36-L41 HydrophobicContact CB-CD1 4.49Å; I36-L41 HydrophobicContact CB-CD2 4.41Å; I36-L41 HydrophobicContact CB-CG 4.39Å; I36-L41 HydrophobicContact CG2-CD2 4.13Å; I36-L41 HydrophobicContact CG2-CG 3.96Å; S37-L41 PolarHBondContact O-N 3.16Å; E38-L41 PolarHBondContact O-N 3.42Å; L41-P98 HydrophobicContact CD1-CG 3.82Å; L41-Y115 HydrophobicContact CD2-CE2 3.86Å; L41-L118 HydrophobicContact CD2-CD2 4.27Å; L41-L118 HydrophobicContact CD2-CG 4.09Å; L41-K119 HydrophobicContact CD2-CB 4.11Å; L41-K119 HydrophobicContact CD2-CG 4.47Å; L41-K119 WeakPolarHBondContact O-CE 3.5Å; L41-K119 PolarHBondContact O-NZ 3.44Å; L41-Y122 HydrophobicContact CB-CD1 3.66Å; L41-Y122 HydrophobicContact CB-CD2 4.48Å; L41-Y122 HydrophobicContact CB-CE1 4.22Å; L41-Y122 HydrophobicContact CB-CG 3.83Å; L41-Y122 HydrophobicContact CD1-CD1 4.33Å; L41-Y122 HydrophobicContact CD1-CD2 3.62Å; L41-Y122 HydrophobicContact CD1-CE2 4.16Å; L41-Y122 HydrophobicContact CD1-CG 3.73Å; L41-Y122 HydrophobicContact CG-CG 4.33Å; L41-Q123 PolarHBondContact O-NE2 2.86Å; L41-Q123 VanDerWaalsContact O-NE2 3.17Å
42	T	74.2	Confident	75.6	Confident	50 Å²	50	62.8 Å²	62.8	31%	0.307	34%	0.343	S	S	.	.	H	α-helix	trans	-87.5	-21.2	174.5	54.2	0	0	0	0	113.9	E38 S39 E40 L44 Y122 M127	E38-T42 HydrophobicContact CG-CG2 4.12Å; E38-T42 WeakPolarHBondContact O-CB 3.24Å; E38-T42 WeakPolarHBondContact O-CG2 3.3Å; E38-T42 PolarHBondContact O-N 2.99Å; E38-T42 PolarHBondContact O-OG1 3.5Å; S39-T42 WeakPolarHBondContact CA-OG1 3.37Å; S39-T42 PolarHBondContact O-OG1 3.46Å; E40-T42 VanDerWaalsContact C-N 3.34Å; T42-L44 PolarHBondContact O-N 3Å; T42-L44 VanDerWaalsContact O-N 3.16Å; T42-Y122 HydrophobicContact CG2-CE1 3.94Å; T42-M127 HydrophobicContact CG2-SD 3.81Å
43	E	72.3	Confident	75.8	Confident	79 Å²	79	65.7 Å²	65.7	37%	0.369	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-55.1	119.6	177.8	-169	-177.9	-149.4	0	0	111.3	S39 K61 K119	S39-E43 WeakPolarHBondContact O-CB 3.39Å; S39-E43 PolarHBondContact O-N 2.86Å; S39-E43 VanDerWaalsContact O-N 3.07Å; E43-K61 IonicContact OE1-NZ 2.68Å; E43-K61 IonicContact OE2-NZ 2.66Å; E43-K61 PolarHBondContact OE2-NZ 3.23Å; E43-K119 PolarHBondContact O-NZ 3.29Å
44	L	64.4	Low	75.9	Confident	82 Å²	82	64.5 Å²	64.5	43%	0.429	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-78.5	142.7	171.6	-68.3	174.9	0	0	0	109.9	T42 L46 T142	T42-L44 PolarHBondContact O-N 3Å; T42-L44 VanDerWaalsContact O-N 3.16Å; L44-L46 PolarHBondContact O-N 3.05Å; L44-T142 HydrophobicContact CD2-CG2 4.13Å
45	P	64	Low	76.1	Confident	62 Å²	62	65 Å²	65	40%	0.403	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-60.1	133.8	174.7	-20	32	0	0	0	111.2
46	L	64.6	Low	76.3	Confident	96 Å²	96	66.3 Å²	66.3	50%	0.503	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.2	147.3	169.8	-65.8	175.4	0	0	0	109.9	L44 T48 Y49	L44-L46 PolarHBondContact O-N 3.05Å; L46-T48 VanDerWaalsContact C-N 3.34Å; L46-T48 PolarHBondContact O-N 3.4Å; L46-Y49 HydrophobicContact CB-CD1 4.48Å; L46-Y49 HydrophobicContact CB-CD2 4.48Å; L46-Y49 HydrophobicContact CB-CE1 3.97Å; L46-Y49 HydrophobicContact CB-CE2 3.98Å; L46-Y49 HydrophobicContact CD1-CD1 4.32Å; L46-Y49 HydrophobicContact CD1-CE1 3.91Å; L46-Y49 HydrophobicContact CG-CE1 4.18Å; L46-Y49 PolarHBondContact N-OH 3.25Å; L46-Y49 WeakPolarHBondContact O-CE2 3.38Å
47	P	61.9	Low	76.6	Confident	57 Å²	57	73.2 Å²	73.2	37%	0.37	41%	0.405	S	S	.	.	S	Bend	trans	-63.3	-38.1	-176.2	26.8	-39	0	0	0	113.1	E373	P47-E373 VanDerWaalsContact CB-CD 3.49Å; P47-E373 WeakPolarHBondContact CB-OE2 3.45Å; P47-E373 WeakPolarHBondContact CD-OE1 3.39Å; P47-E373 WeakPolarHBondContact CG-OE1 3.32Å; P47-E373 WeakPolarHBondContact CG-OE2 3.35Å
48	T	75.7	Confident	76.8	Confident	75 Å²	75	71.9 Å²	71.9	46%	0.46	39%	0.394	S	S	.	.			trans	-141.4	137.5	171.4	60.9	0	0	0	0	109.2	L46	L46-T48 VanDerWaalsContact C-N 3.34Å; L46-T48 PolarHBondContact O-N 3.4Å
49	Y	78.9	Confident	76.7	Confident	25 Å²	25	74 Å²	74	10%	0.098	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.1	170.5	-67.6	-91.9	0	0	0	107.9	L46 K57 V58 T60 K61	L46-Y49 HydrophobicContact CB-CD1 4.48Å; L46-Y49 HydrophobicContact CB-CD2 4.48Å; L46-Y49 HydrophobicContact CB-CE1 3.97Å; L46-Y49 HydrophobicContact CB-CE2 3.98Å; L46-Y49 HydrophobicContact CD1-CD1 4.32Å; L46-Y49 HydrophobicContact CD1-CE1 3.91Å; L46-Y49 HydrophobicContact CG-CE1 4.18Å; L46-Y49 PolarHBondContact N-OH 3.25Å; L46-Y49 WeakPolarHBondContact O-CE2 3.38Å; Y49-K57 CarbonylContact O-C 3.49Å; Y49-K57 WeakPolarHBondContact O-CA 3.34Å; Y49-V58 PolarHBondContact N-O 3.39Å; Y49-V58 PolarHBondContact O-N 3.29Å; Y49-T60 VanDerWaalsContact CD2-C 3.46Å; Y49-K61 HydrophobicContact CD1-CB 4.35Å; Y49-K61 HydrophobicContact CD1-CG 4.49Å; Y49-K61 HydrophobicContact CE1-CB 3.89Å; Y49-K61 HydrophobicContact CE1-CD 4.42Å; Y49-K61 HydrophobicContact CE1-CG 4.01Å; Y49-K61 HydrophobicContact CE2-CB 4.18Å
50	V	83.4	Confident	77.2	Confident	70 Å²	70	72.8 Å²	72.8	42%	0.424	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136	-178	-170.1	0	0	0	0	109.3	E52 I56 K57	V50-E52 PolarHBondContact O-N 3.04Å; V50-I56 WeakPolarHBondContact CA-O 3.46Å; V50-K57 HydrophobicContact CG2-CG 4.13Å
51	C	85.1	Confident	77.4	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.02	40%	0.396	C	S	.	.			trans	-78.2	120.7	171	-170.1	0	0	0	0	111	L53 C54 G55 I56 L64 H67 H72	C51-L53 PolarHBondContact O-N 3.17Å; C51-C54 PolarHBondContact O-N 3.13Å; C51-G55 WeakPolarHBondContact O-CA 3.31Å; C51-G55 PolarHBondContact O-N 3.17Å; C51-I56 PolarHBondContact N-O 3.38Å; C51-L64 HydrophobicContact CB-CD1 3.85Å; C51-H67 VanDerWaalsContact CB-NE2 3.33Å; C51-H67 WeakPolarHBondContact CB-NE2 3.41Å; C51-H67 PolarHBondContact SG-NE2 2.92Å; C51-H72 VanDerWaalsContact SG-CD2 3.58Å
52	E	84.4	Confident	77.8	Confident	190 Å²	190	77.6 Å²	77.6	89%	0.888	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.7	179.4	-65	167.8	-178.2	0	0	113.5	V50	V50-E52 PolarHBondContact O-N 3.04Å
53	L	82.1	Confident	78.4	Confident	114 Å²	114	78.7 Å²	78.7	60%	0.597	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-19.8	-175.9	-66.4	-174	0	0	0	115.5	C51 H72 I74	C51-L53 PolarHBondContact O-N 3.17Å; L53-H72 VanDerWaalsContact CB-CE1 3.44Å; L53-H72 WeakPolarHBondContact CB-CE1 3.47Å; L53-H72 HydrophobicContact CD1-CB 3.93Å; L53-I74 HydrophobicContact CD1-CD1 3.59Å
54	C	83.1	Confident	79	Confident	58 Å²	58	76 Å²	76	39%	0.392	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-2.7	-178.7	66.2	0	0	0	0	114.8	C51 I56 H67 H72	C51-C54 PolarHBondContact O-N 3.13Å; C54-I56 PolarHBondContact O-N 2.87Å; C54-H67 PolarHBondContact SG-CE1 3.31Å; C54-H67 PolarHBondContact SG-NE2 2.85Å; C54-H72 PolarHBondContact SG-NE2 2.95Å; C54-H72 VanDerWaalsContact SG-NE2 3.39Å
55	G	83.4	Confident	80	Confident	44 Å²	44	74.6 Å²	74.6	45%	0.454	41%	0.405	S	S	.	.			trans	72.3	2.3	-179.3	0	0	0	0	0	115.6	C51 K57	C51-G55 WeakPolarHBondContact O-CA 3.31Å; C51-G55 PolarHBondContact O-N 3.17Å; G55-K57 PolarHBondContact O-N 3.34Å
56	I	84.9	Confident	81	Confident	83 Å²	83	73 Å²	73	43%	0.426	40%	0.396	S	S	.	.			trans	-63.6	125.8	179.6	-70.8	175.3	0	0	0	110	V50 C51 C54 V58	V50-I56 WeakPolarHBondContact CA-O 3.46Å; C51-I56 PolarHBondContact N-O 3.38Å; C54-I56 PolarHBondContact O-N 2.87Å; I56-V58 HydrophobicContact CG2-CG1 3.94Å
57	K	85.5	Confident	82	Confident	155 Å²	155	69.5 Å²	69.5	67%	0.674	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.9	175.6	-51.9	-170.2	-179.2	-179.3	0	109.6	Y49 V50 G55	Y49-K57 CarbonylContact O-C 3.49Å; Y49-K57 WeakPolarHBondContact O-CA 3.34Å; V50-K57 HydrophobicContact CG2-CG 4.13Å; G55-K57 PolarHBondContact O-N 3.34Å
58	V	82.3	Confident	83.2	Confident	23 Å²	23	68.4 Å²	68.4	14%	0.139	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.1	179.6	-59.9	0	0	0	0	111.6	Y49 I56 T60 N63 L64	Y49-V58 PolarHBondContact N-O 3.39Å; Y49-V58 PolarHBondContact O-N 3.29Å; I56-V58 HydrophobicContact CG2-CG1 3.94Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 3.48Å; V58-N63 HydrophobicContact CB-CB 4.05Å; V58-N63 HydrophobicContact CG2-CB 4.29Å; V58-L64 HydrophobicContact CG2-CB 3.66Å; V58-L64 HydrophobicContact CG2-CD1 4.1Å
59	K	77.9	Confident	83.7	Confident	147 Å²	147	65 Å²	65	64%	0.639	35%	0.347	S	S	*	.	S	Bend	trans	-72	-15.4	-175.1	56.9	176.2	179.9	-177.5	0	115.6
60	T	80.7	Confident	83.8	Confident	53 Å²	53	69.1 Å²	69.1	33%	0.325	37%	0.365	S	S	.	.	S	Bend	trans	-145.9	151.3	-176.2	62	0	0	0	0	113.3	Y49 V58 A62 N63 L64	Y49-T60 VanDerWaalsContact CD2-C 3.46Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 3.48Å; T60-A62 PolarHBondContact O-N 3.16Å; T60-N63 PolarHBondContact O-N 3.41Å; T60-N63 VanDerWaalsContact O-N 3.14Å; T60-N63 WeakPolarHBondContact OG1-CB 3.47Å; T60-N63 PolarHBondContact OG1-N 3.31Å; T60-N63 VanDerWaalsContact OG1-N 3.12Å; T60-N63 PolarHBondContact OG1-OD1 3.12Å; T60-L64 PolarHBondContact O-N 2.97Å
61	K	82.6	Confident	83.7	Confident	94 Å²	94	69.5 Å²	69.5	41%	0.409	37%	0.368	S	S	.	.	H	α-helix	trans	-55.6	-36.3	172.7	-160.3	176.6	-174.3	-178.8	0	111.8	E40 E43 Y49 L64 R65	E40-K61 IonicContact OE1-NZ 3.98Å; E43-K61 IonicContact OE1-NZ 2.68Å; E43-K61 IonicContact OE2-NZ 2.66Å; E43-K61 PolarHBondContact OE2-NZ 3.23Å; Y49-K61 HydrophobicContact CD1-CB 4.35Å; Y49-K61 HydrophobicContact CD1-CG 4.49Å; Y49-K61 HydrophobicContact CE1-CB 3.89Å; Y49-K61 HydrophobicContact CE1-CD 4.42Å; Y49-K61 HydrophobicContact CE1-CG 4.01Å; Y49-K61 HydrophobicContact CE2-CB 4.18Å; K61-L64 PolarHBondContact O-N 2.88Å; K61-R65 PolarHBondContact O-N 3.26Å
62	A	83.1	Confident	83.7	Confident	69 Å²	69	72 Å²	72	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-66.8	-44.9	175.5	0	0	0	0	0	112.4	T60 L64 R65 A66	T60-A62 PolarHBondContact O-N 3.16Å; A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 PolarHBondContact O-N 3.03Å; A62-R65 PolarHBondContact O-N 3.39Å; A62-R65 VanDerWaalsContact O-N 3.15Å; A62-A66 PolarHBondContact O-N 3.38Å
63	N	85.5	Confident	83.6	Confident	74 Å²	74	69 Å²	69	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-34.7	175.7	-70.9	22.8	0	0	0	111.1	V58 T60 R65 H67	V58-N63 HydrophobicContact CB-CB 4.05Å; V58-N63 HydrophobicContact CG2-CB 4.29Å; T60-N63 PolarHBondContact O-N 3.41Å; T60-N63 VanDerWaalsContact O-N 3.14Å; T60-N63 WeakPolarHBondContact OG1-CB 3.47Å; T60-N63 PolarHBondContact OG1-N 3.31Å; T60-N63 VanDerWaalsContact OG1-N 3.12Å; T60-N63 PolarHBondContact OG1-OD1 3.12Å; N63-R65 VanDerWaalsContact C-N 3.33Å; N63-H67 WeakPolarHBondContact O-CB 3.16Å; N63-H67 PolarHBondContact O-N 3.08Å
64	L	86.1	Confident	83.4	Confident	23 Å²	23	66.3 Å²	66.3	12%	0.12	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-43.6	173.1	-175	71.2	0	0	0	110.8	C51 V58 T60 K61 A62 H67 Q68	C51-L64 HydrophobicContact CB-CD1 3.85Å; V58-L64 HydrophobicContact CG2-CB 3.66Å; V58-L64 HydrophobicContact CG2-CD1 4.1Å; T60-L64 PolarHBondContact O-N 2.97Å; K61-L64 PolarHBondContact O-N 2.88Å; A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 PolarHBondContact O-N 3.03Å; L64-H67 PolarHBondContact O-N 3.03Å; L64-Q68 HydrophobicContact CG-CG 4.49Å; L64-Q68 WeakPolarHBondContact O-CB 3.19Å; L64-Q68 VanDerWaalsContact O-CG 3.27Å; L64-Q68 WeakPolarHBondContact O-CG 3.36Å; L64-Q68 PolarHBondContact O-N 2.76Å
65	R	85.2	Confident	83.3	Confident	52 Å²	52	66.6 Å²	66.6	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-49.1	178.4	-165	74.2	-164.7	131.5	1.9	111.6	K61 A62 N63 H67 Q68 I69 I74 D80	K61-R65 PolarHBondContact O-N 3.26Å; A62-R65 PolarHBondContact O-N 3.39Å; A62-R65 VanDerWaalsContact O-N 3.15Å; N63-R65 VanDerWaalsContact C-N 3.33Å; R65-H67 VanDerWaalsContact C-N 3.27Å; R65-H67 PolarHBondContact O-N 3.4Å; R65-Q68 PolarHBondContact O-N 3.26Å; R65-Q68 VanDerWaalsContact O-N 3.17Å; R65-I69 HydrophobicContact CG-CD1 4.06Å; R65-I69 VanDerWaalsContact O-CG1 3.26Å; R65-I69 WeakPolarHBondContact O-CG1 3.4Å; R65-I69 PolarHBondContact O-N 3.19Å; R65-I74 PolarHBondContact NH1-O 3.25Å; R65-I74 PolarHBondContact NH2-O 3.12Å; R65-D80 IonicContact CZ-OD1 3.69Å; R65-D80 IonicContact CZ-OD2 3.17Å; R65-D80 IonicContact NE-OD1 2.73Å; R65-D80 PolarHBondContact NE-OD1 3.33Å; R65-D80 IonicContact NE-OD2 3.43Å; R65-D80 IonicContact NH2-OD1 2.93Å; R65-D80 PolarHBondContact NH2-OD1 2.81Å; R65-D80 VanDerWaalsContact NH2-OD1 3.17Å; R65-D80 IonicContact NH2-OD2 3.8Å; R65-D80 PolarHBondContact NH2-OD2 2.84Å
66	A	85	Confident	83	Confident	27 Å²	27	71.9 Å²	71.9	22%	0.223	36%	0.355	C	S	.	.	H	α-helix	trans	-58.5	-40.1	176.7	0	0	0	0	0	111.9	A62 K70 F83	A62-A66 PolarHBondContact O-N 3.38Å; A66-K70 WeakPolarHBondContact O-CB 3.3Å; A66-K70 VanDerWaalsContact O-CG 3.3Å; A66-K70 WeakPolarHBondContact O-CG 3.3Å; A66-K70 PolarHBondContact O-N 3.27Å; A66-F83 HydrophobicContact CB-CE1 4.07Å; A66-F83 HydrophobicContact CB-CZ 3.91Å
67	H	85.1	Confident	82.6	Confident	23 Å²	23	72.9 Å²	72.9	11%	0.106	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-55	171.7	166.3	75.9	0	0	0	111.4	C51 C54 N63 L64 R65 I69 K70 T71 H72	C51-H67 VanDerWaalsContact CB-NE2 3.33Å; C51-H67 WeakPolarHBondContact CB-NE2 3.41Å; C51-H67 PolarHBondContact SG-NE2 2.92Å; C54-H67 PolarHBondContact SG-CE1 3.31Å; C54-H67 PolarHBondContact SG-NE2 2.85Å; N63-H67 WeakPolarHBondContact O-CB 3.16Å; N63-H67 PolarHBondContact O-N 3.08Å; L64-H67 PolarHBondContact O-N 3.03Å; R65-H67 VanDerWaalsContact C-N 3.27Å; R65-H67 PolarHBondContact O-N 3.4Å; H67-I69 PolarHBondContact O-N 2.86Å; H67-I69 VanDerWaalsContact O-N 3.16Å; H67-K70 PolarHBondContact O-N 3.28Å; H67-K70 VanDerWaalsContact O-N 3.08Å; H67-T71 PolarHBondContact CE1-OG1 3.31Å; H67-T71 PolarHBondContact ND1-OG1 3.48Å; H67-T71 PolarHBondContact NE2-OG1 2.87Å; H67-T71 PolarHBondContact O-N 3.18Å; H67-T71 PolarHBondContact O-OG1 3.27Å; H67-H72 AromaticContact CE1-NE2 3.87Å; H67-H72 AromaticContact NE2-CD2 3.56Å; H67-H72 AromaticContact NE2-NE2 3.37Å; H67-H72 PolarHBondContact NE2-NE2 2.89Å
68	Q	87	Confident	82	Confident	34 Å²	34	69.4 Å²	69.4	16%	0.159	36%	0.362	C	S	.	.	H	α-helix	trans	-53.7	-36.7	177.6	-75.6	171.5	-7	0	0	113.6	L64 R65 H72 K73 I74	L64-Q68 HydrophobicContact CG-CG 4.49Å; L64-Q68 WeakPolarHBondContact O-CB 3.19Å; L64-Q68 VanDerWaalsContact O-CG 3.27Å; L64-Q68 WeakPolarHBondContact O-CG 3.36Å; L64-Q68 PolarHBondContact O-N 2.76Å; R65-Q68 PolarHBondContact O-N 3.26Å; R65-Q68 VanDerWaalsContact O-N 3.17Å; Q68-H72 CarbonylContact O-C 3.51Å; Q68-H72 WeakPolarHBondContact O-CA 3.42Å; Q68-H72 WeakPolarHBondContact O-CB 3.25Å; Q68-H72 PolarHBondContact O-N 2.94Å; Q68-K73 PolarHBondContact O-N 2.82Å; Q68-K73 VanDerWaalsContact O-N 3.14Å; Q68-I74 HydrophobicContact CB-CB 4.5Å; Q68-I74 PolarHBondContact O-N 2.9Å
69	I	85.5	Confident	81.4	Confident	5 Å²	5	72 Å²	72	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-73.6	-46.4	176.6	-59	160.4	0	0	0	110.9	R65 H67 K73 M75 D80 F83 Y84	R65-I69 HydrophobicContact CG-CD1 4.06Å; R65-I69 VanDerWaalsContact O-CG1 3.26Å; R65-I69 WeakPolarHBondContact O-CG1 3.4Å; R65-I69 PolarHBondContact O-N 3.19Å; H67-I69 PolarHBondContact O-N 2.86Å; H67-I69 VanDerWaalsContact O-N 3.16Å; I69-K73 VanDerWaalsContact O-CA 3.24Å; I69-K73 WeakPolarHBondContact O-CA 3.5Å; I69-K73 PolarHBondContact O-N 2.82Å; I69-M75 HydrophobicContact CG2-CG 4.4Å; I69-D80 HydrophobicContact CD1-CB 3.86Å; I69-D80 WeakPolarHBondContact CD1-OD1 3.37Å; I69-D80 HydrophobicContact CG1-CB 4.01Å; I69-F83 HydrophobicContact CB-CD1 4.22Å; I69-F83 HydrophobicContact CD1-CD1 3.68Å; I69-F83 HydrophobicContact CD1-CE1 4.24Å; I69-F83 HydrophobicContact CD1-CG 4.33Å; I69-F83 HydrophobicContact CG2-CD1 3.93Å; I69-Y84 HydrophobicContact CG2-CD2 4.06Å; I69-Y84 HydrophobicContact CG2-CG 4.41Å
70	K	81.9	Confident	81.5	Confident	110 Å²	110	65.6 Å²	65.6	48%	0.478	34%	0.344	S	S	.	.	H	α-helix	trans	-75.4	-43.5	-174.6	-70.7	-179.7	177.6	-172.4	0	113.6	A66 H67 F83	A66-K70 WeakPolarHBondContact O-CB 3.3Å; A66-K70 VanDerWaalsContact O-CG 3.3Å; A66-K70 WeakPolarHBondContact O-CG 3.3Å; A66-K70 PolarHBondContact O-N 3.27Å; H67-K70 PolarHBondContact O-N 3.28Å; H67-K70 VanDerWaalsContact O-N 3.08Å; K70-F83 HydrophobicContact CG-CE1 4.32Å
71	T	81.8	Confident	81.1	Confident	79 Å²	79	66.5 Å²	66.5	49%	0.485	35%	0.349	S	S	.	.	H	α-helix	trans	-93	-35.9	-175.2	61.9	0	0	0	0	113.4	H67	H67-T71 PolarHBondContact CE1-OG1 3.31Å; H67-T71 PolarHBondContact ND1-OG1 3.48Å; H67-T71 PolarHBondContact NE2-OG1 2.87Å; H67-T71 PolarHBondContact O-N 3.18Å; H67-T71 PolarHBondContact O-OG1 3.27Å
72	H	84.8	Confident	80.4	Confident	55 Å²	55	62.7 Å²	62.7	26%	0.255	34%	0.335	S	S	.	.	H	α-helix	trans	-108.5	-3.4	-175.2	-60.2	-64	0	0	0	113.7	C51 L53 C54 H67 Q68 I74	C51-H72 VanDerWaalsContact SG-CD2 3.58Å; L53-H72 VanDerWaalsContact CB-CE1 3.44Å; L53-H72 WeakPolarHBondContact CB-CE1 3.47Å; L53-H72 HydrophobicContact CD1-CB 3.93Å; C54-H72 PolarHBondContact SG-NE2 2.95Å; C54-H72 VanDerWaalsContact SG-NE2 3.39Å; H67-H72 AromaticContact CE1-NE2 3.87Å; H67-H72 AromaticContact NE2-CD2 3.56Å; H67-H72 AromaticContact NE2-NE2 3.37Å; H67-H72 PolarHBondContact NE2-NE2 2.89Å; Q68-H72 CarbonylContact O-C 3.51Å; Q68-H72 WeakPolarHBondContact O-CA 3.42Å; Q68-H72 WeakPolarHBondContact O-CB 3.25Å; Q68-H72 PolarHBondContact O-N 2.94Å; H72-I74 HydrophobicContact CB-CD1 3.86Å; H72-I74 HydrophobicContact CB-CG1 3.81Å; H72-I74 PolarHBondContact O-N 3.33Å; H72-I74 VanDerWaalsContact O-N 3.13Å
73	K	81.8	Confident	79.8	Confident	128 Å²	128	63.4 Å²	63.4	56%	0.557	33%	0.325	S	S	*	.			trans	54.4	27.4	-177.9	-57.3	-176.4	-179.1	-179.9	0	113.5	Q68 I69 M75 Y84	Q68-K73 PolarHBondContact O-N 2.82Å; Q68-K73 VanDerWaalsContact O-N 3.14Å; I69-K73 VanDerWaalsContact O-CA 3.24Å; I69-K73 WeakPolarHBondContact O-CA 3.5Å; I69-K73 PolarHBondContact O-N 2.82Å; K73-M75 HydrophobicContact CB-CE 4.28Å; K73-M75 PolarHBondContact O-N 3.34Å; K73-M75 VanDerWaalsContact O-N 3.08Å; K73-Y84 HydrophobicContact CD-CE2 4.44Å; K73-Y84 VanDerWaalsContact CE-OH 3.31Å; K73-Y84 WeakPolarHBondContact CE-OH 3.39Å; K73-Y84 HydrophobicContact CG-CE2 4.04Å
74	I	79.3	Confident	79	Confident	56 Å²	56	64.9 Å²	64.9	29%	0.287	33%	0.326	S	S	.	.			trans	-82.8	88.1	-178.7	-58.1	176.4	0	0	0	110.5	L53 R65 Q68 H72 K76	L53-I74 HydrophobicContact CD1-CD1 3.59Å; R65-I74 PolarHBondContact NH1-O 3.25Å; R65-I74 PolarHBondContact NH2-O 3.12Å; Q68-I74 HydrophobicContact CB-CB 4.5Å; Q68-I74 PolarHBondContact O-N 2.9Å; H72-I74 HydrophobicContact CB-CD1 3.86Å; H72-I74 HydrophobicContact CB-CG1 3.81Å; H72-I74 PolarHBondContact O-N 3.33Å; H72-I74 VanDerWaalsContact O-N 3.13Å; I74-K76 HydrophobicContact CG2-CG 4.33Å
75	M	80.5	Confident	78.3	Confident	65 Å²	65	66.6 Å²	66.6	32%	0.32	34%	0.34	S	S	.	.			trans	-92.8	125.7	171.8	-57	167.5	-136.3	0	0	108.8	I69 K73 D80 V81 Y84	I69-M75 HydrophobicContact CG2-CG 4.4Å; K73-M75 HydrophobicContact CB-CE 4.28Å; K73-M75 PolarHBondContact O-N 3.34Å; K73-M75 VanDerWaalsContact O-N 3.08Å; M75-D80 HydrophobicContact CB-CB 3.87Å; M75-D80 HydrophobicContact CG-CB 4.04Å; M75-V81 HydrophobicContact CB-CG2 3.92Å; M75-V81 HydrophobicContact CG-CG2 4.35Å; M75-V81 HydrophobicContact SD-CB 4.23Å; M75-V81 HydrophobicContact SD-CG1 4.44Å; M75-V81 HydrophobicContact SD-CG2 3.94Å; M75-Y84 HydrophobicContact CE-CD1 3.58Å; M75-Y84 HydrophobicContact CE-CD2 3.7Å; M75-Y84 HydrophobicContact CE-CE1 4.05Å; M75-Y84 HydrophobicContact CE-CE2 4.15Å; M75-Y84 HydrophobicContact CE-CG 3.39Å; M75-Y84 HydrophobicContact SD-CD1 4.43Å; M75-Y84 HydrophobicContact SD-CG 4.22Å
76	K	77.5	Confident	77.4	Confident	155 Å²	155	72.3 Å²	72.3	67%	0.674	37%	0.367	S	S	*	.			trans	-112.8	-27.5	177.8	-68.8	-179.2	178.8	-176.6	0	111.9	I74 D80	I74-K76 HydrophobicContact CG2-CG 4.33Å; K76-D80 WeakPolarHBondContact CA-OD2 3.34Å; K76-D80 PolarHBondContact N-OD2 3.48Å
77	N	75.1	Confident	76.2	Confident	103 Å²	103	77.9 Å²	77.9	55%	0.551	39%	0.388	S	S	*	.	S	Bend	trans	-131.3	157.6	-175.2	-58.9	93.6	0	0	0	110.1	K79 D80 V81	N77-K79 PolarHBondContact O-N 3.07Å; N77-K79 VanDerWaalsContact O-N 3.08Å; N77-D80 PolarHBondContact N-OD2 2.83Å; N77-D80 WeakPolarHBondContact O-CB 3.35Å; N77-D80 PolarHBondContact O-N 3.04Å; N77-V81 PolarHBondContact O-N 3.33Å
78	A	73.9	Confident	74.8	Confident	82 Å²	82	86.5 Å²	86.5	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-53.2	-32.1	175.4	0	0	0	0	0	113.1	D80 V81 A82	A78-D80 VanDerWaalsContact C-N 3.33Å; A78-D80 PolarHBondContact O-N 3.44Å; A78-V81 PolarHBondContact O-N 3.04Å; A78-A82 WeakPolarHBondContact O-CB 3.28Å; A78-A82 PolarHBondContact O-N 3.36Å
79	K	70.1	Confident	73.4	Confident	77 Å²	77	90 Å²	90	34%	0.335	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-37.4	173.9	-49.9	-164.9	-163.4	-157.4	0	113.1	N77 F83 Y89 Y93	N77-K79 PolarHBondContact O-N 3.07Å; N77-K79 VanDerWaalsContact O-N 3.08Å; K79-F83 VanDerWaalsContact O-CB 3.24Å; K79-F83 WeakPolarHBondContact O-CB 3.5Å; K79-F83 PolarHBondContact O-N 3.42Å; K79-Y89 HydrophobicContact CG-CE2 4.29Å; K79-Y93 VanDerWaalsContact CE-CZ 3.42Å; K79-Y93 WeakPolarHBondContact CE-OH 3.47Å; K79-Y93 PolarHBondContact NZ-OH 2.86Å
80	D	78.7	Confident	72.1	Confident	13 Å²	13	96.3 Å²	96.3	7%	0.07	47%	0.466	C	S	.	.	H	α-helix	trans	-71.7	-39.1	177.7	-53.7	-59.3	0	0	0	111	R65 I69 M75 K76 N77 A78 F83 Y84	R65-D80 IonicContact CZ-OD1 3.69Å; R65-D80 IonicContact CZ-OD2 3.17Å; R65-D80 IonicContact NE-OD1 2.73Å; R65-D80 PolarHBondContact NE-OD1 3.33Å; R65-D80 IonicContact NE-OD2 3.43Å; R65-D80 IonicContact NH2-OD1 2.93Å; R65-D80 PolarHBondContact NH2-OD1 2.81Å; R65-D80 VanDerWaalsContact NH2-OD1 3.17Å; R65-D80 IonicContact NH2-OD2 3.8Å; R65-D80 PolarHBondContact NH2-OD2 2.84Å; I69-D80 HydrophobicContact CD1-CB 3.86Å; I69-D80 WeakPolarHBondContact CD1-OD1 3.37Å; I69-D80 HydrophobicContact CG1-CB 4.01Å; M75-D80 HydrophobicContact CB-CB 3.87Å; M75-D80 HydrophobicContact CG-CB 4.04Å; K76-D80 WeakPolarHBondContact CA-OD2 3.34Å; K76-D80 PolarHBondContact N-OD2 3.48Å; N77-D80 PolarHBondContact N-OD2 2.83Å; N77-D80 WeakPolarHBondContact O-CB 3.35Å; N77-D80 PolarHBondContact O-N 3.04Å; A78-D80 VanDerWaalsContact C-N 3.33Å; A78-D80 PolarHBondContact O-N 3.44Å; D80-F83 PolarHBondContact O-N 2.81Å; D80-Y84 WeakPolarHBondContact O-CB 3.43Å; D80-Y84 PolarHBondContact O-N 3.21Å
81	V	72.9	Confident	71.5	Confident	73 Å²	73	92.8 Å²	92.8	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-61.8	-47.6	175.8	-178.1	0	0	0	0	109.9	M75 N77 A78 Y84 S85	M75-V81 HydrophobicContact CB-CG2 3.92Å; M75-V81 HydrophobicContact CG-CG2 4.35Å; M75-V81 HydrophobicContact SD-CB 4.23Å; M75-V81 HydrophobicContact SD-CG1 4.44Å; M75-V81 HydrophobicContact SD-CG2 3.94Å; N77-V81 PolarHBondContact O-N 3.33Å; A78-V81 PolarHBondContact O-N 3.04Å; V81-Y84 WeakPolarHBondContact O-CB 3.32Å; V81-Y84 PolarHBondContact O-N 3.48Å; V81-Y84 VanDerWaalsContact O-N 3.16Å; V81-S85 WeakPolarHBondContact O-CB 3.43Å; V81-S85 PolarHBondContact O-N 3.1Å; V81-S85 PolarHBondContact O-OG 2.79Å
82	A	68.6	Low	71.1	Confident	13 Å²	13	91.7 Å²	91.7	11%	0.107	45%	0.449	C	S	.	.	H	α-helix	trans	-69.9	-33.6	179.4	0	0	0	0	0	113.2	A78 Y84 S85 K86 Q87 Y89	A78-A82 WeakPolarHBondContact O-CB 3.28Å; A78-A82 PolarHBondContact O-N 3.36Å; A82-Y84 VanDerWaalsContact C-N 3.3Å; A82-Y84 PolarHBondContact O-N 2.89Å; A82-S85 WeakPolarHBondContact CA-OG 3.47Å; A82-K86 WeakPolarHBondContact O-CA 3.38Å; A82-K86 PolarHBondContact O-N 2.92Å; A82-Q87 PolarHBondContact O-N 3.08Å; A82-Y89 HydrophobicContact CB-CD1 3.29Å; A82-Y89 HydrophobicContact CB-CE1 3.68Å; A82-Y89 HydrophobicContact CB-CG 4.16Å
83	F	69.6	Low	70.7	Confident	84 Å²	84	90.9 Å²	90.9	37%	0.368	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-34.5	169.5	-178	-95.6	0	0	0	112.2	A66 I69 K70 K79 D80	A66-F83 HydrophobicContact CB-CE1 4.07Å; A66-F83 HydrophobicContact CB-CZ 3.91Å; I69-F83 HydrophobicContact CB-CD1 4.22Å; I69-F83 HydrophobicContact CD1-CD1 3.68Å; I69-F83 HydrophobicContact CD1-CE1 4.24Å; I69-F83 HydrophobicContact CD1-CG 4.33Å; I69-F83 HydrophobicContact CG2-CD1 3.93Å; K70-F83 HydrophobicContact CG-CE1 4.32Å; K79-F83 VanDerWaalsContact O-CB 3.24Å; K79-F83 WeakPolarHBondContact O-CB 3.5Å; K79-F83 PolarHBondContact O-N 3.42Å; D80-F83 PolarHBondContact O-N 2.81Å
84	Y	68.8	Low	70.8	Confident	105 Å²	105	87.2 Å²	87.2	41%	0.412	43%	0.43	S	S	.	.	H	α-helix	trans	-76.4	-43.7	175.1	-175	-90.5	0	0	0	112.6	I69 K73 M75 D80 V81 A82 K86	I69-Y84 HydrophobicContact CG2-CD2 4.06Å; I69-Y84 HydrophobicContact CG2-CG 4.41Å; K73-Y84 HydrophobicContact CD-CE2 4.44Å; K73-Y84 VanDerWaalsContact CE-OH 3.31Å; K73-Y84 WeakPolarHBondContact CE-OH 3.39Å; K73-Y84 HydrophobicContact CG-CE2 4.04Å; M75-Y84 HydrophobicContact CE-CD1 3.58Å; M75-Y84 HydrophobicContact CE-CD2 3.7Å; M75-Y84 HydrophobicContact CE-CE1 4.05Å; M75-Y84 HydrophobicContact CE-CE2 4.15Å; M75-Y84 HydrophobicContact CE-CG 3.39Å; M75-Y84 HydrophobicContact SD-CD1 4.43Å; M75-Y84 HydrophobicContact SD-CG 4.22Å; D80-Y84 WeakPolarHBondContact O-CB 3.43Å; D80-Y84 PolarHBondContact O-N 3.21Å; V81-Y84 WeakPolarHBondContact O-CB 3.32Å; V81-Y84 PolarHBondContact O-N 3.48Å; V81-Y84 VanDerWaalsContact O-N 3.16Å; A82-Y84 VanDerWaalsContact C-N 3.3Å; A82-Y84 PolarHBondContact O-N 2.89Å; Y84-K86 PolarHBondContact O-N 3.28Å
85	S	70.7	Confident	71.1	Confident	59 Å²	59	86.3 Å²	86.3	41%	0.413	42%	0.423	S	S	.	.	H	α-helix	trans	-78.2	-2.6	-178.9	69.4	0	0	0	0	114.3	V81 A82 Q87	V81-S85 WeakPolarHBondContact O-CB 3.43Å; V81-S85 PolarHBondContact O-N 3.1Å; V81-S85 PolarHBondContact O-OG 2.79Å; A82-S85 WeakPolarHBondContact CA-OG 3.47Å; S85-Q87 PolarHBondContact O-N 3.11Å; S85-Q87 VanDerWaalsContact OG-CB 3.3Å; S85-Q87 WeakPolarHBondContact OG-CB 3.46Å; S85-Q87 PolarHBondContact OG-N 3.2Å
86	K	66.3	Low	71.3	Confident	173 Å²	173	83.4 Å²	83.4	75%	0.752	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	13.5	-170.3	-61.6	-172.3	174.1	-169	0	114.3	A82 Y84 R88	A82-K86 WeakPolarHBondContact O-CA 3.38Å; A82-K86 PolarHBondContact O-N 2.92Å; Y84-K86 PolarHBondContact O-N 3.28Å; K86-R88 PolarHBondContact O-N 3.34Å
87	Q	61.3	Low	71.8	Confident	143 Å²	143	76 Å²	76	67%	0.668	38%	0.377	S	S	*	.			trans	-77.3	121.1	-176.9	-166.6	172	10.4	0	0	110	A82 S85 Y89	A82-Q87 PolarHBondContact O-N 3.08Å; S85-Q87 PolarHBondContact O-N 3.11Å; S85-Q87 VanDerWaalsContact OG-CB 3.3Å; S85-Q87 WeakPolarHBondContact OG-CB 3.46Å; S85-Q87 PolarHBondContact OG-N 3.2Å; Q87-Y89 PolarHBondContact O-N 3.17Å
88	R	54.6	Low	72.4	Confident	205 Å²	205	73.1 Å²	73.1	77%	0.774	36%	0.363	S	S	*	.			trans	-69.6	104.5	176	-77.4	-176.3	166.8	148.1	-3.8	109.8	K86	K86-R88 PolarHBondContact O-N 3.34Å
89	Y	58.5	Low	72.9	Confident	106 Å²	106	71.8 Å²	71.8	42%	0.416	34%	0.344	S	S	.	.			trans	-85.5	108.2	168.2	59.1	-76.2	0	0	0	108.2	K79 A82 Q87 V91 Y93	K79-Y89 HydrophobicContact CG-CE2 4.29Å; A82-Y89 HydrophobicContact CB-CD1 3.29Å; A82-Y89 HydrophobicContact CB-CE1 3.68Å; A82-Y89 HydrophobicContact CB-CG 4.16Å; Q87-Y89 PolarHBondContact O-N 3.17Å; Y89-V91 HydrophobicContact CD2-CB 3.98Å; Y89-V91 HydrophobicContact CD2-CG2 3.93Å; Y89-V91 PolarHBondContact O-N 3.32Å; Y89-Y93 HydrophobicContact CE2-CE2 4.3Å
90	N	58.1	Low	73.4	Confident	139 Å²	139	72 Å²	72	74%	0.743	36%	0.359	S	S	*	.			trans	-79.7	77	177.7	-163.7	-15.8	0	0	0	109.4	N30	N30-N90 WeakPolarHBondContact CB-O 3.27Å; N30-N90 PolarHBondContact ND2-O 3.03Å
91	V	68.9	Low	73.8	Confident	36 Å²	36	77.7 Å²	77.7	22%	0.218	40%	0.395	C	S	.	.			trans	-118.7	116.2	176.7	179.8	0	0	0	0	109.1	N30 L32 Y89 Y93	N30-V91 HydrophobicContact CB-CG2 4.23Å; L32-V91 HydrophobicContact CB-CG1 4.13Å; L32-V91 HydrophobicContact CD1-CG1 3.68Å; L32-V91 HydrophobicContact CG-CG1 4.38Å; Y89-V91 HydrophobicContact CD2-CB 3.98Å; Y89-V91 HydrophobicContact CD2-CG2 3.93Å; Y89-V91 PolarHBondContact O-N 3.32Å; V91-Y93 HydrophobicContact CB-CE2 4.15Å; V91-Y93 HydrophobicContact CG1-CD2 4.45Å; V91-Y93 HydrophobicContact CG1-CE1 3.86Å; V91-Y93 HydrophobicContact CG1-CE2 3.82Å; V91-Y93 VanDerWaalsContact CG1-CZ 3.43Å; V91-Y93 WeakPolarHBondContact CG1-OH 3.42Å; V91-Y93 WeakPolarHBondContact O-CE2 3.42Å
92	S	72.3	Confident	74.5	Confident	55 Å²	55	74.7 Å²	74.7	39%	0.385	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	143.4	170.5	65.4	0	0	0	0	110.3	N30 V31 L32	N30-S92 PolarHBondContact O-N 3.42Å; N30-S92 PolarHBondContact O-OG 3.04Å; N30-S92 VanDerWaalsContact O-OG 3.05Å; V31-S92 WeakPolarHBondContact CA-OG 3.28Å; L32-S92 PolarHBondContact N-O 3.23Å
93	Y	77.7	Confident	75.4	Confident	39 Å²	39	81.9 Å²	81.9	15%	0.153	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.7	178.8	-66.2	-80.9	0	0	0	110.2	L32 V34 K79 Y89 V91	L32-Y93 HydrophobicContact CB-CD1 3.66Å; L32-Y93 HydrophobicContact CB-CE1 3.66Å; L32-Y93 HydrophobicContact CD1-CE1 3.99Å; L32-Y93 HydrophobicContact CG-CE1 4.41Å; L32-Y93 WeakPolarHBondContact O-CA 3.14Å; V34-Y93 HydrophobicContact CG2-CD1 3.99Å; K79-Y93 VanDerWaalsContact CE-CZ 3.42Å; K79-Y93 WeakPolarHBondContact CE-OH 3.47Å; K79-Y93 PolarHBondContact NZ-OH 2.86Å; Y89-Y93 HydrophobicContact CE2-CE2 4.3Å; V91-Y93 HydrophobicContact CB-CE2 4.15Å; V91-Y93 HydrophobicContact CG1-CD2 4.45Å; V91-Y93 HydrophobicContact CG1-CE1 3.86Å; V91-Y93 HydrophobicContact CG1-CE2 3.82Å; V91-Y93 VanDerWaalsContact CG1-CZ 3.43Å; V91-Y93 WeakPolarHBondContact CG1-OH 3.42Å; V91-Y93 WeakPolarHBondContact O-CE2 3.42Å
94	I	83.5	Confident	76.1	Confident	51 Å²	51	80.2 Å²	80.2	26%	0.262	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.9	173.2	-58.4	-177.6	0	0	0	108.4	V31 L32 H33 V34 H96	V31-I94 HydrophobicContact CG1-CD1 3.5Å; V31-I94 HydrophobicContact CG1-CG1 3.8Å; L32-I94 PolarHBondContact O-N 3.49Å; H33-I94 CarbonylContact C-O 3.41Å; H33-I94 WeakPolarHBondContact CA-O 3.4Å; V34-I94 PolarHBondContact N-O 3.05Å; I94-H96 WeakPolarHBondContact CG2-NE2 3.12Å
95	Y	84.7	Confident	77	Confident	37 Å²	37	76.5 Å²	76.5	15%	0.145	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.4	-174.9	-66.7	-86	0	0	0	110.7	V34 I36 F112 T114 Y115	V34-Y95 HydrophobicContact CB-CD1 4.07Å; V34-Y95 HydrophobicContact CB-CE1 4.25Å; V34-Y95 HydrophobicContact CG1-CD1 4.3Å; V34-Y95 HydrophobicContact CG1-CE1 4.31Å; V34-Y95 WeakPolarHBondContact O-CA 3.19Å; I36-Y95 HydrophobicContact CD1-CD1 3.71Å; I36-Y95 HydrophobicContact CD1-CE1 3.94Å; I36-Y95 HydrophobicContact CG1-CD1 4.43Å; Y95-F112 WeakPolarHBondContact CB-O 3.46Å; Y95-F112 PolarHBondContact N-O 2.65Å; Y95-F112 PolarHBondContact O-N 2.75Å; Y95-T114 VanDerWaalsContact CD2-C 3.44Å; Y95-Y115 VanDerWaalsContact CD2-N 3.31Å; Y95-Y115 VanDerWaalsContact CE2-N 3.33Å
96	H	85.6	Confident	77.7	Confident	4 Å²	4	77.9 Å²	77.9	2%	0.019	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	147.1	-178.8	-65.9	-76.5	0	0	0	112.6	H33 V34 V35 I94 H104 I106 G110 L118	H33-H96 AromaticContact CE1-NE2 3.77Å; H33-H96 AromaticContact CG-NE2 3.87Å; H33-H96 AromaticContact ND1-CD2 3.77Å; H33-H96 AromaticContact ND1-CE1 3.9Å; H33-H96 AromaticContact ND1-NE2 2.87Å; H33-H96 PolarHBondContact ND1-NE2 3.42Å; V34-H96 PolarHBondContact O-N 3.16Å; V35-H96 HydrophobicContact CG2-CB 4.21Å; I94-H96 WeakPolarHBondContact CG2-NE2 3.12Å; H96-H104 WeakPolarHBondContact CA-O 3.46Å; H96-I106 HydrophobicContact CB-CB 4.3Å; H96-G110 PolarHBondContact CE1-O 3.03Å; H96-G110 PolarHBondContact ND1-O 2.71Å; H96-L118 VanDerWaalsContact O-CD2 3.26Å; H96-L118 WeakPolarHBondContact O-CD2 3.47Å
97	C	89	Confident	78.4	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.387	C	S	.	.			trans	-71.4	129.7	174.6	-169	0	0	0	0	110.5	M99 C102 H104 N105 L118 H126	C97-M99 PolarHBondContact O-N 3.32Å; C97-C102 HydrophobicContact CB-CB 4.12Å; C97-H104 HydrophobicContact CB-CB 4.29Å; C97-H104 PolarHBondContact N-O 3.12Å; C97-N105 PolarHBondContact O-OD1 3.34Å; C97-L118 HydrophobicContact CB-CD1 3.94Å; C97-H126 PolarHBondContact SG-CD2 2.73Å; C97-H126 PolarHBondContact SG-NE2 3.06Å; C97-H126 VanDerWaalsContact SG-NE2 3.41Å
98	P	86.3	Confident	79.2	Confident	42 Å²	42	69.5 Å²	69.5	27%	0.273	38%	0.378	S	S	.	.	S	Bend	trans	-69.4	-11.6	178.8	30.1	-37.8	0	0	0	113.4	V35 I36 L41 A100 Y122	V35-P98 HydrophobicContact CG1-CB 4.06Å; I36-P98 WeakPolarHBondContact O-CB 3.34Å; I36-P98 WeakPolarHBondContact O-CG 3.22Å; L41-P98 HydrophobicContact CD1-CG 3.82Å; P98-A100 PolarHBondContact O-N 2.61Å; P98-Y122 HydrophobicContact CG-CD2 4.23Å; P98-Y122 HydrophobicContact CG-CE2 3.85Å
99	M	84.1	Confident	80	Confident	54 Å²	54	63.1 Å²	63.1	27%	0.266	38%	0.376	S	S	.	.			trans	-77.4	111.6	179.5	-73.3	-72.6	169.2	0	0	110.6	C97 T101 C102 Y122 H126	C97-M99 PolarHBondContact O-N 3.32Å; M99-T101 PolarHBondContact O-N 3.11Å; M99-C102 HydrophobicContact CB-CB 4.2Å; M99-C102 VanDerWaalsContact O-CB 3.3Å; M99-C102 WeakPolarHBondContact O-CB 3.46Å; M99-C102 PolarHBondContact O-N 3.06Å; M99-Y122 HydrophobicContact CE-CE2 4.17Å; M99-Y122 WeakPolarHBondContact CE-OH 3.36Å; M99-Y122 HydrophobicContact CG-CE2 3.95Å; M99-H126 HydrophobicContact CG-CB 4.06Å
100	A	82.2	Confident	81	Confident	80 Å²	80	59 Å²	59	66%	0.661	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-33.3	-175.2	0	0	0	0	0	114.1	P98 C102 N105	P98-A100 PolarHBondContact O-N 2.61Å; A100-C102 VanDerWaalsContact C-N 3.33Å; A100-N105 WeakPolarHBondContact CA-ND2 3.38Å; A100-N105 PolarHBondContact O-ND2 3.44Å; A100-N105 VanDerWaalsContact O-ND2 3.14Å
101	T	86.2	Confident	82.2	Confident	133 Å²	133	53.8 Å²	53.8	82%	0.816	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.4	-179.4	54	0	0	0	0	114.6	M99	M99-T101 PolarHBondContact O-N 3.11Å
102	C	87	Confident	83.1	Confident	10 Å²	10	53.7 Å²	53.7	7%	0.068	34%	0.342	C	S	.	.	S	Bend	trans	-85.3	140.3	-176.2	-171.6	0	0	0	0	112.9	C97 M99 A100 H104 N105 S108 H121 H126	C97-C102 HydrophobicContact CB-CB 4.12Å; M99-C102 HydrophobicContact CB-CB 4.2Å; M99-C102 VanDerWaalsContact O-CB 3.3Å; M99-C102 WeakPolarHBondContact O-CB 3.46Å; M99-C102 PolarHBondContact O-N 3.06Å; A100-C102 VanDerWaalsContact C-N 3.33Å; C102-H104 PolarHBondContact O-N 3.13Å; C102-H104 VanDerWaalsContact O-N 3.11Å; C102-H104 PolarHBondContact SG-N 3.3Å; C102-N105 WeakPolarHBondContact O-CB 3.25Å; C102-N105 PolarHBondContact O-N 3.21Å; C102-S108 PolarHBondContact O-OG 3.3Å; C102-H121 PolarHBondContact SG-CE1 2.74Å; C102-H121 PolarHBondContact SG-NE2 2.8Å; C102-H126 WeakPolarHBondContact CB-NE2 3.13Å; C102-H126 PolarHBondContact SG-NE2 3.11Å; C102-H126 VanDerWaalsContact SG-NE2 3.41Å
103	K	87.3	Confident	83.6	Confident	165 Å²	165	54.8 Å²	54.8	72%	0.717	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.7	170	-173.9	178.1	177.3	-175.9	0	113.8	S108	K103-S108 WeakPolarHBondContact O-CB 3.4Å
104	H	85.4	Confident	83.8	Confident	48 Å²	48	55.4 Å²	55.4	22%	0.222	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	14.7	176.9	-57.7	-80.2	0	0	0	113.5	H96 C97 C102 G110 F112 H121	H96-H104 WeakPolarHBondContact CA-O 3.46Å; C97-H104 HydrophobicContact CB-CB 4.29Å; C97-H104 PolarHBondContact N-O 3.12Å; C102-H104 PolarHBondContact O-N 3.13Å; C102-H104 VanDerWaalsContact O-N 3.11Å; C102-H104 PolarHBondContact SG-N 3.3Å; H104-G110 CarbonylContact C-O 3.55Å; H104-G110 WeakPolarHBondContact CA-O 3.47Å; H104-G110 VanDerWaalsContact O-O 3.04Å; H104-F112 HydrophobicContact CB-CD2 4.3Å; H104-F112 HydrophobicContact CB-CE2 3.5Å; H104-F112 HydrophobicContact CB-CZ 3.94Å; H104-F112 AromaticContact CD2-CZ 3.68Å; H104-F112 AromaticContact CE1-CZ 3.89Å; H104-F112 AromaticContact CG-CE2 3.59Å; H104-F112 AromaticContact CG-CZ 3.47Å; H104-F112 VanDerWaalsContact CG-CZ 3.47Å; H104-F112 AromaticContact ND1-CE2 3.94Å; H104-F112 AromaticContact ND1-CZ 3.62Å; H104-F112 AromaticContact NE2-CZ 3.95Å; H104-H121 AromaticContact CD2-CE1 3.75Å
105	N	88.2	Confident	83.7	Confident	27 Å²	27	56.5 Å²	56.5	14%	0.144	36%	0.359	C	S	.	.	S	Bend	trans	-74.8	154.7	167.3	-178.8	25.2	0	0	0	110.6	C97 A100 C102 G107 S108	C97-N105 PolarHBondContact O-OD1 3.34Å; A100-N105 WeakPolarHBondContact CA-ND2 3.38Å; A100-N105 PolarHBondContact O-ND2 3.44Å; A100-N105 VanDerWaalsContact O-ND2 3.14Å; C102-N105 WeakPolarHBondContact O-CB 3.25Å; C102-N105 PolarHBondContact O-N 3.21Å; N105-G107 PolarHBondContact O-N 3.23Å; N105-S108 PolarHBondContact O-N 3.01Å
106	I	84.1	Confident	83.5	Confident	88 Å²	88	59.4 Å²	59.4	45%	0.451	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-54.2	-38.3	178.3	-164.2	167.5	0	0	0	112.4	H96 S108 G109	H96-I106 HydrophobicContact CB-CB 4.3Å; I106-S108 PolarHBondContact O-N 3.27Å; I106-G109 PolarHBondContact O-N 3.17Å
107	G	80.7	Confident	83.3	Confident	71 Å²	71	65.2 Å²	65.2	73%	0.732	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-69.9	-12.3	177.7	0	0	0	0	0	115.6	N105	N105-G107 PolarHBondContact O-N 3.23Å
108	S	78.6	Confident	83.2	Confident	69 Å²	69	65.2 Å²	65.2	48%	0.483	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-99.1	0.7	176.1	-70	0	0	0	0	113.4	C102 K103 N105 I106 G110	C102-S108 PolarHBondContact O-OG 3.3Å; K103-S108 WeakPolarHBondContact O-CB 3.4Å; N105-S108 PolarHBondContact O-N 3.01Å; I106-S108 PolarHBondContact O-N 3.27Å; S108-G110 PolarHBondContact O-N 2.85Å
109	G	72.5	Confident	83.1	Confident	71 Å²	71	64.6 Å²	64.6	73%	0.732	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-7.3	-175.8	0	0	0	0	0	115.2	I106	I106-G109 PolarHBondContact O-N 3.17Å
110	G	79.3	Confident	83	Confident	19 Å²	19	62.8 Å²	62.8	20%	0.196	38%	0.376	C	S	.	.			trans	-86.4	138.1	175.7	0	0	0	0	0	112.2	H96 H104 S108	H96-G110 PolarHBondContact CE1-O 3.03Å; H96-G110 PolarHBondContact ND1-O 2.71Å; H104-G110 CarbonylContact C-O 3.55Å; H104-G110 WeakPolarHBondContact CA-O 3.47Å; H104-G110 VanDerWaalsContact O-O 3.04Å; S108-G110 PolarHBondContact O-N 2.85Å
111	G	83.5	Confident	83.3	Confident	31 Å²	31	60.1 Å²	60.1	32%	0.32	35%	0.35	S	S	.	.			trans	-154.1	170.3	173.4	0	0	0	0	0	111.5
112	F	86.4	Confident	83.3	Confident	33 Å²	33	53.8 Å²	53.8	15%	0.145	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-105.4	138	178.4	-60.6	-81.6	0	0	0	110.5	Y95 H104 T114 R117 L118 H121	Y95-F112 WeakPolarHBondContact CB-O 3.46Å; Y95-F112 PolarHBondContact N-O 2.65Å; Y95-F112 PolarHBondContact O-N 2.75Å; H104-F112 HydrophobicContact CB-CD2 4.3Å; H104-F112 HydrophobicContact CB-CE2 3.5Å; H104-F112 HydrophobicContact CB-CZ 3.94Å; H104-F112 AromaticContact CD2-CZ 3.68Å; H104-F112 AromaticContact CE1-CZ 3.89Å; H104-F112 AromaticContact CG-CE2 3.59Å; H104-F112 AromaticContact CG-CZ 3.47Å; H104-F112 VanDerWaalsContact CG-CZ 3.47Å; H104-F112 AromaticContact ND1-CE2 3.94Å; H104-F112 AromaticContact ND1-CZ 3.62Å; H104-F112 AromaticContact NE2-CZ 3.95Å; F112-T114 PolarHBondContact O-N 3.42Å; F112-R117 HydrophobicContact CB-CB 4.14Å; F112-R117 HydrophobicContact CD1-CB 3.77Å; F112-R117 HydrophobicContact CG-CB 4.16Å; F112-L118 HydrophobicContact CB-CB 4.34Å; F112-L118 HydrophobicContact CD2-CB 3.79Å; F112-L118 HydrophobicContact CD2-CD1 3.9Å; F112-L118 HydrophobicContact CD2-CG 4.45Å; F112-L118 HydrophobicContact CE2-CD1 4.01Å; F112-L118 HydrophobicContact CG-CB 4.3Å; F112-H121 HydrophobicContact CE1-CB 4.2Å; F112-H121 HydrophobicContact CE2-CB 3.79Å; F112-H121 AromaticContact CE2-CD2 3.7Å; F112-H121 AromaticContact CE2-CG 3.68Å; F112-H121 HydrophobicContact CZ-CB 3.44Å; F112-H121 VanDerWaalsContact CZ-CB 3.44Å; F112-H121 AromaticContact CZ-CD2 3.92Å; F112-H121 AromaticContact CZ-CG 3.43Å; F112-H121 VanDerWaalsContact CZ-CG 3.43Å; F112-H121 AromaticContact CZ-ND1 3.9Å
113	S	84	Confident	83.2	Confident	78 Å²	78	53.6 Å²	53.6	55%	0.545	31%	0.309	S	S	.	.	S	Bend	trans	-70.5	-10.5	175.2	52.2	0	0	0	0	114.3	R117	S113-R117 PolarHBondContact OG-NH1 3.28Å
114	T	81.4	Confident	82.9	Confident	52 Å²	52	48 Å²	48	32%	0.319	29%	0.285	S	S	.	.	S	Bend	trans	-139.1	139.5	-177.6	63.1	0	0	0	0	111.9	Y95 F112 W116 R117 L118	Y95-T114 VanDerWaalsContact CD2-C 3.44Å; F112-T114 PolarHBondContact O-N 3.42Å; T114-W116 PolarHBondContact O-N 3.42Å; T114-R117 PolarHBondContact O-N 3.45Å; T114-R117 WeakPolarHBondContact OG1-CD 3.44Å; T114-R117 VanDerWaalsContact OG1-CG 3.29Å; T114-R117 WeakPolarHBondContact OG1-CG 3.4Å; T114-L118 PolarHBondContact O-N 3.41Å
115	Y	80.9	Confident	82.9	Confident	75 Å²	75	49.9 Å²	49.9	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-52.9	-41.9	175.6	168.2	-127.2	0	0	0	112.6	I36 L41 Y95 R117 L118 K119	I36-Y115 HydrophobicContact CD1-CD2 3.28Å; I36-Y115 HydrophobicContact CD1-CE2 3.51Å; I36-Y115 HydrophobicContact CD1-CG 4.31Å; I36-Y115 HydrophobicContact CG2-CE2 4.45Å; L41-Y115 HydrophobicContact CD2-CE2 3.86Å; Y95-Y115 VanDerWaalsContact CD2-N 3.31Å; Y95-Y115 VanDerWaalsContact CE2-N 3.33Å; Y115-R117 PolarHBondContact O-N 3.26Å; Y115-L118 WeakPolarHBondContact O-CB 3.17Å; Y115-L118 PolarHBondContact O-N 2.56Å; Y115-K119 HydrophobicContact CE1-CD 4.47Å; Y115-K119 HydrophobicContact CE2-CB 4.35Å; Y115-K119 HydrophobicContact CE2-CD 4.49Å; Y115-K119 PolarHBondContact O-N 3.29Å
116	W	80.1	Confident	82.8	Confident	97 Å²	97	51 Å²	51	37%	0.367	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-41.8	-177	-177.1	97.9	0	0	0	112.3	T114 L118 K119 Q120 I359 F362 I363	T114-W116 PolarHBondContact O-N 3.42Å; W116-L118 PolarHBondContact O-N 3.47Å; W116-K119 PolarHBondContact O-N 3.47Å; W116-Q120 VanDerWaalsContact CZ3-OE1 3.25Å; W116-Q120 PolarHBondContact O-N 3.18Å; W116-I359 HydrophobicContact CH2-CG2 4.37Å; W116-F362 HydrophobicContact CD2-CE1 4.18Å; W116-F362 AromaticContact CE2-CD1 3.68Å; W116-F362 AromaticContact CE2-CE1 3.56Å; W116-F362 AromaticContact CH2-CD1 3.95Å; W116-F362 HydrophobicContact CH2-CD1 3.95Å; W116-F362 HydrophobicContact CH2-CE1 4.43Å; W116-F362 AromaticContact CZ2-CD1 3.34Å; W116-F362 HydrophobicContact CZ2-CD1 3.34Å; W116-F362 AromaticContact CZ2-CE1 3.74Å; W116-F362 HydrophobicContact CZ2-CE1 3.74Å; W116-F362 HydrophobicContact CZ2-CG 4.41Å; W116-F362 AromaticContact NE1-CD1 3.99Å; W116-F362 AromaticContact NE1-CE1 3.61Å; W116-I363 HydrophobicContact CZ2-CG1 3.99Å
117	R	82.5	Confident	82.9	Confident	126 Å²	126	48.1 Å²	48.1	48%	0.475	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-39.1	175.2	-73.7	176.9	-178.9	137.4	-1.1	111.5	F112 S113 T114 Y115 Q120 H121	F112-R117 HydrophobicContact CB-CB 4.14Å; F112-R117 HydrophobicContact CD1-CB 3.77Å; F112-R117 HydrophobicContact CG-CB 4.16Å; S113-R117 PolarHBondContact OG-NH1 3.28Å; T114-R117 PolarHBondContact O-N 3.45Å; T114-R117 WeakPolarHBondContact OG1-CD 3.44Å; T114-R117 VanDerWaalsContact OG1-CG 3.29Å; T114-R117 WeakPolarHBondContact OG1-CG 3.4Å; Y115-R117 PolarHBondContact O-N 3.26Å; R117-Q120 PolarHBondContact O-N 2.86Å; R117-H121 WeakPolarHBondContact O-CB 3.35Å; R117-H121 PolarHBondContact O-N 3.46Å
118	L	86.4	Confident	83	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-46.5	172.1	171.8	61	0	0	0	111.6	I36 L41 H96 C97 F112 T114 Y115 W116 Q120 H121 Y122	I36-L118 HydrophobicContact CB-CD2 4.44Å; I36-L118 HydrophobicContact CD1-CD2 4.35Å; L41-L118 HydrophobicContact CD2-CD2 4.27Å; L41-L118 HydrophobicContact CD2-CG 4.09Å; H96-L118 VanDerWaalsContact O-CD2 3.26Å; H96-L118 WeakPolarHBondContact O-CD2 3.47Å; C97-L118 HydrophobicContact CB-CD1 3.94Å; F112-L118 HydrophobicContact CB-CB 4.34Å; F112-L118 HydrophobicContact CD2-CB 3.79Å; F112-L118 HydrophobicContact CD2-CD1 3.9Å; F112-L118 HydrophobicContact CD2-CG 4.45Å; F112-L118 HydrophobicContact CE2-CD1 4.01Å; F112-L118 HydrophobicContact CG-CB 4.3Å; T114-L118 PolarHBondContact O-N 3.41Å; Y115-L118 WeakPolarHBondContact O-CB 3.17Å; Y115-L118 PolarHBondContact O-N 2.56Å; W116-L118 PolarHBondContact O-N 3.47Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.18Å; L118-H121 PolarHBondContact O-N 3.05Å; L118-Y122 WeakPolarHBondContact O-CB 3.3Å; L118-Y122 PolarHBondContact O-N 3.22Å
119	K	83.8	Confident	83.4	Confident	29 Å²	29	54.2 Å²	54.2	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-41.4	178.1	-173.7	155.7	-178	149	0	111.4	E40 L41 E43 Y115 W116 Y122 Q123	E40-K119 PolarHBondContact O-NZ 3.22Å; L41-K119 HydrophobicContact CD2-CB 4.11Å; L41-K119 HydrophobicContact CD2-CG 4.47Å; L41-K119 WeakPolarHBondContact O-CE 3.5Å; L41-K119 PolarHBondContact O-NZ 3.44Å; E43-K119 PolarHBondContact O-NZ 3.29Å; Y115-K119 HydrophobicContact CE1-CD 4.47Å; Y115-K119 HydrophobicContact CE2-CB 4.35Å; Y115-K119 HydrophobicContact CE2-CD 4.49Å; Y115-K119 PolarHBondContact O-N 3.29Å; W116-K119 PolarHBondContact O-N 3.47Å; K119-Y122 PolarHBondContact O-N 2.68Å; K119-Q123 HydrophobicContact CG-CG 4.46Å; K119-Q123 WeakPolarHBondContact O-CB 3.49Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.13Å; K119-Q123 PolarHBondContact O-N 2.83Å
120	Q	83.4	Confident	84.1	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-52.6	173.3	-179.9	175.4	32.7	0	0	112.4	W116 R117 L118 Y122 Q123 H124 F362	W116-Q120 VanDerWaalsContact CZ3-OE1 3.25Å; W116-Q120 PolarHBondContact O-N 3.18Å; R117-Q120 PolarHBondContact O-N 2.86Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.18Å; Q120-Y122 VanDerWaalsContact C-N 3.31Å; Q120-Y122 PolarHBondContact O-N 3.25Å; Q120-Q123 PolarHBondContact O-N 2.66Å; Q120-H124 PolarHBondContact O-CD2 2.89Å; Q120-H124 VanDerWaalsContact O-CD2 3.3Å; Q120-H124 PolarHBondContact O-N 3.26Å; Q120-F362 HydrophobicContact CB-CD1 4.38Å; Q120-F362 HydrophobicContact CB-CD2 3.97Å; Q120-F362 HydrophobicContact CB-CE1 3.91Å; Q120-F362 HydrophobicContact CB-CE2 3.55Å; Q120-F362 HydrophobicContact CB-CG 4.42Å; Q120-F362 HydrophobicContact CB-CZ 3.51Å; Q120-F362 HydrophobicContact CG-CD1 4.41Å; Q120-F362 HydrophobicContact CG-CD2 3.55Å; Q120-F362 HydrophobicContact CG-CE1 4.4Å; Q120-F362 HydrophobicContact CG-CE2 3.65Å; Q120-F362 HydrophobicContact CG-CG 4.02Å; Q120-F362 HydrophobicContact CG-CZ 4.08Å
121	H	86.8	Confident	84.4	Confident	25 Å²	25	58 Å²	58	12%	0.116	29%	0.287	C	S	.	.	H	α-helix	trans	-54	-48.5	176.6	165.4	73.5	0	0	0	111.7	C102 H104 F112 R117 L118 Q123 H124 V125 H126	C102-H121 PolarHBondContact SG-CE1 2.74Å; C102-H121 PolarHBondContact SG-NE2 2.8Å; H104-H121 AromaticContact CD2-CE1 3.75Å; F112-H121 HydrophobicContact CE1-CB 4.2Å; F112-H121 HydrophobicContact CE2-CB 3.79Å; F112-H121 AromaticContact CE2-CD2 3.7Å; F112-H121 AromaticContact CE2-CG 3.68Å; F112-H121 HydrophobicContact CZ-CB 3.44Å; F112-H121 VanDerWaalsContact CZ-CB 3.44Å; F112-H121 AromaticContact CZ-CD2 3.92Å; F112-H121 AromaticContact CZ-CG 3.43Å; F112-H121 VanDerWaalsContact CZ-CG 3.43Å; F112-H121 AromaticContact CZ-ND1 3.9Å; R117-H121 WeakPolarHBondContact O-CB 3.35Å; R117-H121 PolarHBondContact O-N 3.46Å; L118-H121 PolarHBondContact O-N 3.05Å; H121-Q123 PolarHBondContact O-N 3.3Å; H121-H124 PolarHBondContact O-N 3.05Å; H121-V125 WeakPolarHBondContact O-CB 3.48Å; H121-V125 WeakPolarHBondContact O-CG2 2.77Å; H121-V125 PolarHBondContact O-N 3.24Å; H121-H126 AromaticContact CE1-NE2 3.88Å; H121-H126 AromaticContact NE2-CD2 3.63Å; H121-H126 AromaticContact NE2-NE2 3.32Å; H121-H126 PolarHBondContact NE2-NE2 2.93Å
122	Y	86.7	Confident	84.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-48.4	179.3	-166.7	-91.2	0	0	0	112.2	E38 L41 T42 P98 M99 L118 K119 Q120 H124 H126 M127	E38-Y122 HydrophobicContact CG-CE1 4.27Å; E38-Y122 WeakPolarHBondContact CG-OH 3.44Å; E38-Y122 PolarHBondContact OE1-OH 3.4Å; L41-Y122 HydrophobicContact CB-CD1 3.66Å; L41-Y122 HydrophobicContact CB-CD2 4.48Å; L41-Y122 HydrophobicContact CB-CE1 4.22Å; L41-Y122 HydrophobicContact CB-CG 3.83Å; L41-Y122 HydrophobicContact CD1-CD1 4.33Å; L41-Y122 HydrophobicContact CD1-CD2 3.62Å; L41-Y122 HydrophobicContact CD1-CE2 4.16Å; L41-Y122 HydrophobicContact CD1-CG 3.73Å; L41-Y122 HydrophobicContact CG-CG 4.33Å; T42-Y122 HydrophobicContact CG2-CE1 3.94Å; P98-Y122 HydrophobicContact CG-CD2 4.23Å; P98-Y122 HydrophobicContact CG-CE2 3.85Å; M99-Y122 HydrophobicContact CE-CE2 4.17Å; M99-Y122 WeakPolarHBondContact CE-OH 3.36Å; M99-Y122 HydrophobicContact CG-CE2 3.95Å; L118-Y122 WeakPolarHBondContact O-CB 3.3Å; L118-Y122 PolarHBondContact O-N 3.22Å; K119-Y122 PolarHBondContact O-N 2.68Å; Q120-Y122 VanDerWaalsContact C-N 3.31Å; Q120-Y122 PolarHBondContact O-N 3.25Å; Y122-H124 PolarHBondContact O-N 3.39Å; Y122-H126 HydrophobicContact CD2-CB 4.13Å; Y122-H126 HydrophobicContact CE2-CB 3.93Å; Y122-H126 PolarHBondContact O-N 2.74Å; Y122-M127 PolarHBondContact O-N 2.95Å
123	Q	84.7	Confident	84.8	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-34.9	-178.2	-67.7	-172.9	-12.9	0	0	112.8	L41 K119 Q120 H121 M127 P141	L41-Q123 PolarHBondContact O-NE2 2.86Å; L41-Q123 VanDerWaalsContact O-NE2 3.17Å; K119-Q123 HydrophobicContact CG-CG 4.46Å; K119-Q123 WeakPolarHBondContact O-CB 3.49Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.13Å; K119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 PolarHBondContact O-N 2.66Å; H121-Q123 PolarHBondContact O-N 3.3Å; Q123-M127 HydrophobicContact CB-CE 3.72Å; Q123-M127 HydrophobicContact CG-CE 3.47Å; Q123-M127 VanDerWaalsContact CG-CE 3.47Å; Q123-M127 HydrophobicContact CG-SD 4.33Å; Q123-P141 WeakPolarHBondContact O-CB 3.46Å; Q123-P141 VanDerWaalsContact O-CG 3.24Å; Q123-P141 WeakPolarHBondContact O-CG 3.29Å
124	H	82.4	Confident	85.1	Confident	48 Å²	48	61.6 Å²	61.6	22%	0.222	29%	0.292	C	S	.	.	H	α-helix	trans	-83.3	-32.6	-179.2	-80.7	-111.9	0	0	0	114.4	Q120 H121 Y122 K129 Y145 F362	Q120-H124 PolarHBondContact O-CD2 2.89Å; Q120-H124 VanDerWaalsContact O-CD2 3.3Å; Q120-H124 PolarHBondContact O-N 3.26Å; H121-H124 PolarHBondContact O-N 3.05Å; Y122-H124 PolarHBondContact O-N 3.39Å; H124-K129 WeakPolarHBondContact O-CE 3.28Å; H124-K129 PolarHBondContact O-NZ 3.26Å; H124-Y145 AromaticContact NE2-CE1 3.92Å; H124-F362 AromaticContact CD2-CD2 3.93Å; H124-F362 AromaticContact NE2-CD2 3.49Å; H124-F362 WeakPolarHBondContact NE2-CD2 3.37Å
125	V	85.1	Confident	85.3	Confident	87 Å²	87	65 Å²	65	53%	0.527	30%	0.302	S	S	.	.	H	α-helix	trans	-102.3	-41.2	-171.3	-178.7	0	0	0	0	112.9	H121	H121-V125 WeakPolarHBondContact O-CB 3.48Å; H121-V125 WeakPolarHBondContact O-CG2 2.77Å; H121-V125 PolarHBondContact O-N 3.24Å
126	H	86.5	Confident	85.6	Confident	49 Å²	49	63.5 Å²	63.5	23%	0.227	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-32.7	-169.1	-63.1	-62.5	0	0	0	114	C97 M99 C102 H121 Y122	C97-H126 PolarHBondContact SG-CD2 2.73Å; C97-H126 PolarHBondContact SG-NE2 3.06Å; C97-H126 VanDerWaalsContact SG-NE2 3.41Å; M99-H126 HydrophobicContact CG-CB 4.06Å; C102-H126 WeakPolarHBondContact CB-NE2 3.13Å; C102-H126 PolarHBondContact SG-NE2 3.11Å; C102-H126 VanDerWaalsContact SG-NE2 3.41Å; H121-H126 AromaticContact CE1-NE2 3.88Å; H121-H126 AromaticContact NE2-CD2 3.63Å; H121-H126 AromaticContact NE2-NE2 3.32Å; H121-H126 PolarHBondContact NE2-NE2 2.93Å; Y122-H126 HydrophobicContact CD2-CB 4.13Å; Y122-H126 HydrophobicContact CE2-CB 3.93Å; Y122-H126 PolarHBondContact O-N 2.74Å
127	M	84.7	Confident	86	Confident	28 Å²	28	63.4 Å²	63.4	14%	0.138	31%	0.309	C	S	.	.	S	Bend	trans	-71.1	136.7	-179.4	-168	157.4	70.9	0	0	112	T42 Y122 Q123 K129 P141 T142	T42-M127 HydrophobicContact CG2-SD 3.81Å; Y122-M127 PolarHBondContact O-N 2.95Å; Q123-M127 HydrophobicContact CB-CE 3.72Å; Q123-M127 HydrophobicContact CG-CE 3.47Å; Q123-M127 VanDerWaalsContact CG-CE 3.47Å; Q123-M127 HydrophobicContact CG-SD 4.33Å; M127-K129 PolarHBondContact O-N 3.43Å; M127-P141 HydrophobicContact CB-CB 4.16Å; M127-P141 HydrophobicContact CE-CB 3.56Å; M127-P141 HydrophobicContact CE-CG 4.01Å; M127-P141 HydrophobicContact CG-CB 4.12Å; M127-T142 HydrophobicContact CE-CG2 3.35Å
128	Q	84.3	Confident	86.1	Confident	168 Å²	168	63.2 Å²	63.2	79%	0.785	31%	0.313	S	S	*	.			trans	-62.2	130.2	179	-174.2	178.9	-2.4	0	0	111.3	S130	Q128-S130 PolarHBondContact O-N 3.06Å
129	K	86.7	Confident	86.1	Confident	101 Å²	101	68.2 Å²	68.2	44%	0.439	34%	0.335	S	S	.	.			trans	-90.4	97.6	-179.4	-62.5	174.8	-175	177.3	0	109.9	H124 M127 F139 F140 P141	H124-K129 WeakPolarHBondContact O-CE 3.28Å; H124-K129 PolarHBondContact O-NZ 3.26Å; M127-K129 PolarHBondContact O-N 3.43Å; K129-F139 HydrophobicContact CB-CB 3.63Å; K129-F140 CarbonylContact C-O 3.14Å; K129-F140 WeakPolarHBondContact CA-O 3.33Å; K129-P141 HydrophobicContact CG-CB 4.12Å
130	S	86.7	Confident	86.2	Confident	72 Å²	72	68.2 Å²	68.2	50%	0.503	34%	0.335	S	S	.	.			trans	-102	-20.8	-173.6	53.6	0	0	0	0	114.7	Q128 F140	Q128-S130 PolarHBondContact O-N 3.06Å; S130-F140 PolarHBondContact N-O 3.29Å
131	Y	85.1	Confident	86.3	Confident	96 Å²	96	68.1 Å²	68.1	38%	0.376	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100.2	-172.6	-62.3	-84.6	0	0	0	111.9	F139 F140 T142 P143 H146	Y131-F139 CarbonylContact O-C 3.56Å; Y131-F139 WeakPolarHBondContact O-CA 3.35Å; Y131-F140 PolarHBondContact N-O 2.83Å; Y131-F140 PolarHBondContact O-N 3.48Å; Y131-T142 VanDerWaalsContact CD2-C 3.4Å; Y131-P143 HydrophobicContact CD1-CB 4.19Å; Y131-P143 HydrophobicContact CE1-CB 3.74Å; Y131-P143 HydrophobicContact CE1-CG 4.44Å; Y131-P143 HydrophobicContact CE2-CB 4.28Å; Y131-P143 VanDerWaalsContact CE2-CD 3.47Å; Y131-P143 HydrophobicContact CE2-CG 4.4Å; Y131-H146 HydrophobicContact CG-CB 4.29Å
132	Q	89.1	Confident	86.2	Confident	83 Å²	83	67.2 Å²	67.2	39%	0.388	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129	179.9	-174	179.6	-20.6	0	0	112.4	N137 H138 F139 H146	Q132-N137 HydrophobicContact CG-CB 4.49Å; Q132-N137 PolarHBondContact NE2-OD1 3.44Å; Q132-H138 WeakPolarHBondContact CA-O 3.4Å; Q132-F139 HydrophobicContact CB-CD1 3.87Å; Q132-F139 HydrophobicContact CB-CE1 3.68Å; Q132-F139 HydrophobicContact CB-CZ 4.19Å; Q132-F139 HydrophobicContact CG-CD1 4.45Å; Q132-F139 HydrophobicContact CG-CE1 4.07Å; Q132-F139 HydrophobicContact CG-CE2 4.43Å; Q132-F139 HydrophobicContact CG-CZ 4.04Å; Q132-H146 PolarHBondContact O-NE2 3.36Å
133	C	90.2	Very high	86.1	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.349	C	S	.	.			trans	-78.7	121.8	171.7	-176.1	0	0	0	0	112.4	K135 C136 N137 H138 F140 H146 H149	C133-K135 PolarHBondContact O-N 3.33Å; C133-C136 PolarHBondContact O-N 3.25Å; C133-N137 VanDerWaalsContact O-CA 3.24Å; C133-N137 WeakPolarHBondContact O-CA 3.46Å; C133-N137 PolarHBondContact O-N 3.08Å; C133-H138 PolarHBondContact N-O 3.03Å; C133-F140 HydrophobicContact CB-CE2 4.01Å; C133-H146 WeakPolarHBondContact CA-NE2 3.44Å; C133-H149 VanDerWaalsContact SG-CD2 3.58Å
134	N	88.9	Confident	85.9	Confident	135 Å²	135	69.8 Å²	69.8	72%	0.722	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-14	179.4	-63.3	-20.9	0	0	0	115.7
135	K	87.3	Confident	85.8	Confident	123 Å²	123	67.8 Å²	67.8	54%	0.535	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-40.1	-177.2	-68.1	174.8	175.6	173.1	0	113.4	C133 Q150 C153	C133-K135 PolarHBondContact O-N 3.33Å; K135-Q150 PolarHBondContact NZ-O 3.41Å; K135-C153 VanDerWaalsContact CB-SG 3.57Å; K135-C153 HydrophobicContact CD-CB 3.94Å; K135-C153 WeakPolarHBondContact CD-O 3.34Å; K135-C153 WeakPolarHBondContact CE-O 3.24Å; K135-C153 PolarHBondContact NZ-O 3.44Å
136	C	87.2	Confident	85.9	Confident	44 Å²	44	65 Å²	65	30%	0.297	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-6.6	-172.6	63.2	0	0	0	0	113.7	C133 H138 H149	C133-C136 PolarHBondContact O-N 3.25Å; C136-H138 PolarHBondContact O-N 3.35Å; C136-H149 PolarHBondContact SG-NE2 3.38Å
137	N	87.3	Confident	85.9	Confident	95 Å²	95	64 Å²	64	51%	0.508	32%	0.322	S	S	.	.			trans	59.6	15.2	-175.7	-57.1	-49.2	0	0	0	115.9	Q132 C133	Q132-N137 HydrophobicContact CG-CB 4.49Å; Q132-N137 PolarHBondContact NE2-OD1 3.44Å; C133-N137 VanDerWaalsContact O-CA 3.24Å; C133-N137 WeakPolarHBondContact O-CA 3.46Å; C133-N137 PolarHBondContact O-N 3.08Å
138	H	84.3	Confident	85.8	Confident	123 Å²	123	64.7 Å²	64.7	57%	0.569	32%	0.323	S	S	*	.			trans	-71	141.5	168.4	-76.1	-71.2	0	0	0	111.5	Q132 C133 C136 F140	Q132-H138 WeakPolarHBondContact CA-O 3.4Å; C133-H138 PolarHBondContact N-O 3.03Å; C136-H138 PolarHBondContact O-N 3.35Å; H138-F140 HydrophobicContact CB-CE2 3.85Å; H138-F140 HydrophobicContact CB-CZ 3.99Å; H138-F140 WeakPolarHBondContact O-CE2 3.05Å
139	F	87.4	Confident	85.9	Confident	104 Å²	104	58.3 Å²	58.3	46%	0.456	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.7	177.7	-64.6	-97.6	0	0	0	111	K129 Y131 Q132	K129-F139 HydrophobicContact CB-CB 3.63Å; Y131-F139 CarbonylContact O-C 3.56Å; Y131-F139 WeakPolarHBondContact O-CA 3.35Å; Q132-F139 HydrophobicContact CB-CD1 3.87Å; Q132-F139 HydrophobicContact CB-CE1 3.68Å; Q132-F139 HydrophobicContact CB-CZ 4.19Å; Q132-F139 HydrophobicContact CG-CD1 4.45Å; Q132-F139 HydrophobicContact CG-CE1 4.07Å; Q132-F139 HydrophobicContact CG-CE2 4.43Å; Q132-F139 HydrophobicContact CG-CZ 4.04Å
140	F	86.3	Confident	85.9	Confident	30 Å²	30	57.6 Å²	57.6	13%	0.132	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.8	180	-64.3	-84.7	0	0	0	111.3	K129 S130 Y131 C133 H138 H146 H149	K129-F140 CarbonylContact C-O 3.14Å; K129-F140 WeakPolarHBondContact CA-O 3.33Å; S130-F140 PolarHBondContact N-O 3.29Å; Y131-F140 PolarHBondContact N-O 2.83Å; Y131-F140 PolarHBondContact O-N 3.48Å; C133-F140 HydrophobicContact CB-CE2 4.01Å; H138-F140 HydrophobicContact CB-CE2 3.85Å; H138-F140 HydrophobicContact CB-CZ 3.99Å; H138-F140 WeakPolarHBondContact O-CE2 3.05Å; F140-H146 HydrophobicContact CB-CB 4.06Å; F140-H146 HydrophobicContact CD2-CB 4.36Å; F140-H146 HydrophobicContact CG-CB 4.42Å; F140-H149 HydrophobicContact CD1-CB 4.47Å; F140-H149 HydrophobicContact CE1-CB 3.91Å; F140-H149 AromaticContact CE1-CG 3.83Å; F140-H149 HydrophobicContact CE2-CB 4.03Å; F140-H149 AromaticContact CE2-CD2 3.33Å; F140-H149 WeakPolarHBondContact CE2-CD2 3.22Å; F140-H149 AromaticContact CE2-CG 3.59Å; F140-H149 AromaticContact CE2-NE2 3.86Å; F140-H149 HydrophobicContact CZ-CB 3.69Å; F140-H149 AromaticContact CZ-CD2 3.35Å; F140-H149 WeakPolarHBondContact CZ-CD2 3.49Å; F140-H149 AromaticContact CZ-CE1 3.69Å; F140-H149 AromaticContact CZ-CG 3.16Å; F140-H149 AromaticContact CZ-ND1 3.4Å; F140-H149 WeakPolarHBondContact CZ-ND1 3.45Å; F140-H149 AromaticContact CZ-NE2 3.68Å
141	P	85.8	Confident	85.7	Confident	14 Å²	14	60.6 Å²	60.6	9%	0.091	30%	0.295	C	S	.	.	S	Bend	trans	-91.4	-19.5	-170.1	38.9	-39.4	0	0	0	114	Q123 M127 K129 Y145	Q123-P141 WeakPolarHBondContact O-CB 3.46Å; Q123-P141 VanDerWaalsContact O-CG 3.24Å; Q123-P141 WeakPolarHBondContact O-CG 3.29Å; M127-P141 HydrophobicContact CB-CB 4.16Å; M127-P141 HydrophobicContact CE-CB 3.56Å; M127-P141 HydrophobicContact CE-CG 4.01Å; M127-P141 HydrophobicContact CG-CB 4.12Å; K129-P141 HydrophobicContact CG-CB 4.12Å; P141-Y145 HydrophobicContact CG-CD2 4.16Å
142	T	84.1	Confident	85.5	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.037	30%	0.295	C	S	.	.	S	Bend	trans	-126.9	157.7	169.5	92.3	0	0	0	0	110.6	L44 M127 Y131 S144 Y145 H146	L44-T142 HydrophobicContact CD2-CG2 4.13Å; M127-T142 HydrophobicContact CE-CG2 3.35Å; Y131-T142 VanDerWaalsContact CD2-C 3.4Å; T142-S144 PolarHBondContact O-N 2.68Å; T142-S144 PolarHBondContact OG1-N 2.9Å; T142-S144 PolarHBondContact OG1-OG 3.02Å; T142-Y145 HydrophobicContact CG2-CD2 3.7Å; T142-Y145 HydrophobicContact CG2-CE2 3.87Å; T142-Y145 PolarHBondContact O-N 2.93Å; T142-Y145 WeakPolarHBondContact OG1-CD2 3.3Å; T142-Y145 PolarHBondContact OG1-N 2.91Å; T142-H146 PolarHBondContact O-N 3.1Å
143	P	84.8	Confident	85.2	Confident	52 Å²	52	56.3 Å²	56.3	34%	0.338	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-27.6	177	26.3	-32.7	0	0	0	111.8	Y131 H146 A147	Y131-P143 HydrophobicContact CD1-CB 4.19Å; Y131-P143 HydrophobicContact CE1-CB 3.74Å; Y131-P143 HydrophobicContact CE1-CG 4.44Å; Y131-P143 HydrophobicContact CE2-CB 4.28Å; Y131-P143 VanDerWaalsContact CE2-CD 3.47Å; Y131-P143 HydrophobicContact CE2-CG 4.4Å; P143-H146 PolarHBondContact O-N 3.17Å; P143-A147 VanDerWaalsContact O-CB 3.29Å; P143-A147 WeakPolarHBondContact O-CB 3.29Å; P143-A147 PolarHBondContact O-N 3.36Å
144	S	80.3	Confident	84.8	Confident	8 Å²	8	59.7 Å²	59.7	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-41.9	179.1	-25.2	0	0	0	0	112.2	T142 A147 Y148 G365 N369	T142-S144 PolarHBondContact O-N 2.68Å; T142-S144 PolarHBondContact OG1-N 2.9Å; T142-S144 PolarHBondContact OG1-OG 3.02Å; S144-A147 PolarHBondContact O-N 3.23Å; S144-Y148 PolarHBondContact O-N 3.18Å; S144-G365 WeakPolarHBondContact CB-O 3.4Å; S144-N369 WeakPolarHBondContact CB-OD1 3.4Å; S144-N369 PolarHBondContact OG-OD1 3.13Å
145	Y	80	Confident	84.4	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.02	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-51	170.4	-78.4	-75.6	0	0	0	111.1	H124 P141 T142 A147 Y148 H149 F362	H124-Y145 AromaticContact NE2-CE1 3.92Å; P141-Y145 HydrophobicContact CG-CD2 4.16Å; T142-Y145 HydrophobicContact CG2-CD2 3.7Å; T142-Y145 HydrophobicContact CG2-CE2 3.87Å; T142-Y145 PolarHBondContact O-N 2.93Å; T142-Y145 WeakPolarHBondContact OG1-CD2 3.3Å; T142-Y145 PolarHBondContact OG1-N 2.91Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 2.83Å; Y145-Y148 PolarHBondContact O-N 3.22Å; Y145-H149 VanDerWaalsContact O-CB 3.29Å; Y145-H149 WeakPolarHBondContact O-CB 3.3Å; Y145-H149 PolarHBondContact O-N 3.06Å; Y145-F362 VanDerWaalsContact CE1-CA 3.45Å; Y145-F362 HydrophobicContact CE1-CB 3.92Å; Y145-F362 AromaticContact CE1-CD2 3.48Å; Y145-F362 HydrophobicContact CE1-CD2 3.48Å; Y145-F362 VanDerWaalsContact CE1-CD2 3.48Å; Y145-F362 HydrophobicContact CE1-CE2 4.21Å; Y145-F362 AromaticContact CE1-CG 3.99Å; Y145-F362 HydrophobicContact CE1-CG 3.99Å; Y145-F362 HydrophobicContact CE2-CD2 4.42Å; Y145-F362 HydrophobicContact CE2-CE2 4.37Å; Y145-F362 AromaticContact CZ-CD2 3.3Å; Y145-F362 AromaticContact CZ-CE2 3.59Å; Y145-F362 AromaticContact CZ-CG 3.92Å; Y145-F362 WeakPolarHBondContact OH-CD2 3.13Å; Y145-F362 WeakPolarHBondContact OH-CE2 3.44Å; Y145-F362 WeakPolarHBondContact OH-CG 3.45Å; Y145-F362 WeakPolarHBondContact OH-CZ 3.33Å
146	H	87.4	Confident	84.3	Confident	28 Å²	28	54.2 Å²	54.2	13%	0.13	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-45.7	179.6	174.1	-100.8	0	0	0	111.6	Y131 Q132 C133 F140 T142 P143 H149 Q150	Y131-H146 HydrophobicContact CG-CB 4.29Å; Q132-H146 PolarHBondContact O-NE2 3.36Å; C133-H146 WeakPolarHBondContact CA-NE2 3.44Å; F140-H146 HydrophobicContact CB-CB 4.06Å; F140-H146 HydrophobicContact CD2-CB 4.36Å; F140-H146 HydrophobicContact CG-CB 4.42Å; T142-H146 PolarHBondContact O-N 3.1Å; P143-H146 PolarHBondContact O-N 3.17Å; H146-H149 PolarHBondContact O-N 2.84Å; H146-Q150 PolarHBondContact CE1-OE1 2.91Å; H146-Q150 VanDerWaalsContact O-CB 3.22Å; H146-Q150 WeakPolarHBondContact O-CB 3.49Å; H146-Q150 PolarHBondContact O-N 3.14Å
147	A	85.4	Confident	84.1	Confident	29 Å²	29	54.2 Å²	54.2	24%	0.24	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-39.1	179.8	0	0	0	0	0	113	P143 S144 Y145 K151	P143-A147 VanDerWaalsContact O-CB 3.29Å; P143-A147 WeakPolarHBondContact O-CB 3.29Å; P143-A147 PolarHBondContact O-N 3.36Å; S144-A147 PolarHBondContact O-N 3.23Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 2.83Å; A147-K151 WeakPolarHBondContact O-CG 3.46Å; A147-K151 PolarHBondContact O-N 3.23Å
148	Y	83.8	Confident	84.1	Confident	43 Å²	43	53 Å²	53	17%	0.169	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-50	173	-179.3	-86.4	0	0	0	111.2	S144 Y145 Q150 K151 L152 S360 S361 G364	S144-Y148 PolarHBondContact O-N 3.18Å; Y145-Y148 PolarHBondContact O-N 3.22Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å; Y148-Q150 PolarHBondContact O-N 3.48Å; Y148-K151 WeakPolarHBondContact O-CB 3.32Å; Y148-K151 PolarHBondContact O-N 3.48Å; Y148-L152 HydrophobicContact CD1-CD1 4.42Å; Y148-L152 HydrophobicContact CE1-CD1 3.42Å; Y148-L152 VanDerWaalsContact CE1-CD1 3.42Å; Y148-L152 HydrophobicContact CE1-CG 3.98Å; Y148-L152 PolarHBondContact O-N 2.92Å; Y148-L152 WeakPolarHBondContact OH-CD1 3.09Å; Y148-S360 PolarHBondContact OH-O 3.38Å; Y148-S361 VanDerWaalsContact CD1-CA 3.48Å; Y148-S361 WeakPolarHBondContact CE1-OG 3.43Å; Y148-G364 VanDerWaalsContact CD2-CA 3.43Å; Y148-G364 VanDerWaalsContact CE2-CA 3.46Å
149	H	85.6	Confident	84.5	Confident	34 Å²	34	47.1 Å²	47.1	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-42.5	178.1	177.3	80.7	0	0	0	111.3	C133 C136 F140 Y145 H146 K151 L152 C153	C133-H149 VanDerWaalsContact SG-CD2 3.58Å; C136-H149 PolarHBondContact SG-NE2 3.38Å; F140-H149 HydrophobicContact CD1-CB 4.47Å; F140-H149 HydrophobicContact CE1-CB 3.91Å; F140-H149 AromaticContact CE1-CG 3.83Å; F140-H149 HydrophobicContact CE2-CB 4.03Å; F140-H149 AromaticContact CE2-CD2 3.33Å; F140-H149 WeakPolarHBondContact CE2-CD2 3.22Å; F140-H149 AromaticContact CE2-CG 3.59Å; F140-H149 AromaticContact CE2-NE2 3.86Å; F140-H149 HydrophobicContact CZ-CB 3.69Å; F140-H149 AromaticContact CZ-CD2 3.35Å; F140-H149 WeakPolarHBondContact CZ-CD2 3.49Å; F140-H149 AromaticContact CZ-CE1 3.69Å; F140-H149 AromaticContact CZ-CG 3.16Å; F140-H149 AromaticContact CZ-ND1 3.4Å; F140-H149 WeakPolarHBondContact CZ-ND1 3.45Å; F140-H149 AromaticContact CZ-NE2 3.68Å; Y145-H149 VanDerWaalsContact O-CB 3.29Å; Y145-H149 WeakPolarHBondContact O-CB 3.3Å; Y145-H149 PolarHBondContact O-N 3.06Å; H146-H149 PolarHBondContact O-N 2.84Å; H149-K151 PolarHBondContact O-N 3.15Å; H149-L152 PolarHBondContact O-N 3.2Å; H149-L152 VanDerWaalsContact O-N 3.15Å; H149-C153 WeakPolarHBondContact NE2-CB 3.31Å; H149-C153 PolarHBondContact NE2-SG 2.98Å; H149-C153 VanDerWaalsContact NE2-SG 3.38Å; H149-C153 WeakPolarHBondContact O-CA 3.41Å; H149-C153 WeakPolarHBondContact O-CB 3.41Å; H149-C153 PolarHBondContact O-N 2.93Å
150	Q	86.2	Confident	84.5	Confident	86 Å²	86	43.8 Å²	43.8	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-30.1	178.3	-174.7	178	-5.8	0	0	113.2	K135 H146 Y148	K135-Q150 PolarHBondContact NZ-O 3.41Å; H146-Q150 PolarHBondContact CE1-OE1 2.91Å; H146-Q150 VanDerWaalsContact O-CB 3.22Å; H146-Q150 WeakPolarHBondContact O-CB 3.49Å; H146-Q150 PolarHBondContact O-N 3.14Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å; Y148-Q150 PolarHBondContact O-N 3.48Å
151	K	84.1	Confident	84.6	Confident	134 Å²	134	45.8 Å²	45.8	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-69.5	-45.9	174.6	-66.3	168.6	-175.5	179	0	111.8	A147 Y148 H149 C368	A147-K151 WeakPolarHBondContact O-CG 3.46Å; A147-K151 PolarHBondContact O-N 3.23Å; Y148-K151 WeakPolarHBondContact O-CB 3.32Å; Y148-K151 PolarHBondContact O-N 3.48Å; H149-K151 PolarHBondContact O-N 3.15Å; K151-C368 PolarHBondContact NZ-SG 3.03Å; K151-C368 VanDerWaalsContact NZ-SG 3.36Å
152	L	80.6	Confident	84.9	Confident	72 Å²	72	47.2 Å²	47.2	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-86.9	-22.7	-178	-62.7	-166.6	0	0	0	114.6	Y148 H149 G154 A155	Y148-L152 HydrophobicContact CD1-CD1 4.42Å; Y148-L152 HydrophobicContact CE1-CD1 3.42Å; Y148-L152 VanDerWaalsContact CE1-CD1 3.42Å; Y148-L152 HydrophobicContact CE1-CG 3.98Å; Y148-L152 PolarHBondContact O-N 2.92Å; Y148-L152 WeakPolarHBondContact OH-CD1 3.09Å; H149-L152 PolarHBondContact O-N 3.2Å; H149-L152 VanDerWaalsContact O-N 3.15Å; L152-G154 PolarHBondContact O-N 2.98Å; L152-A155 WeakPolarHBondContact O-CB 3.15Å; L152-A155 PolarHBondContact O-N 3.09Å
153	C	83.3	Confident	85.1	Confident	17 Å²	17	54.7 Å²	54.7	12%	0.115	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	123.9	-174.9	-177.5	0	0	0	0	110.5	K135 H149	K135-C153 VanDerWaalsContact CB-SG 3.57Å; K135-C153 HydrophobicContact CD-CB 3.94Å; K135-C153 WeakPolarHBondContact CD-O 3.34Å; K135-C153 WeakPolarHBondContact CE-O 3.24Å; K135-C153 PolarHBondContact NZ-O 3.44Å; H149-C153 WeakPolarHBondContact NE2-CB 3.31Å; H149-C153 PolarHBondContact NE2-SG 2.98Å; H149-C153 VanDerWaalsContact NE2-SG 3.38Å; H149-C153 WeakPolarHBondContact O-CA 3.41Å; H149-C153 WeakPolarHBondContact O-CB 3.41Å; H149-C153 PolarHBondContact O-N 2.93Å
154	G	80.7	Confident	85.3	Confident	71 Å²	71	60 Å²	60	73%	0.732	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	4.4	-172.6	0	0	0	0	0	115.2	L152 T156	L152-G154 PolarHBondContact O-N 2.98Å; G154-T156 PolarHBondContact O-N 3.42Å
155	A	80.8	Confident	85.7	Confident	34 Å²	34	63.7 Å²	63.7	28%	0.281	35%	0.354	S	S	.	.			trans	-67.5	128.3	168.5	0	0	0	0	0	110	L152 Y157	L152-A155 WeakPolarHBondContact O-CB 3.15Å; L152-A155 PolarHBondContact O-N 3.09Å; A155-Y157 HydrophobicContact CB-CE2 3.98Å
156	T	84.4	Confident	86.1	Confident	110 Å²	110	65.8 Å²	65.8	68%	0.675	36%	0.362	S	S	*	.			trans	-110.8	134.3	174	52.7	0	0	0	0	109.6	G154 Y166	G154-T156 PolarHBondContact O-N 3.42Å; T156-Y166 WeakPolarHBondContact CA-O 3.36Å
157	Y	84.3	Confident	85.9	Confident	44 Å²	44	69.3 Å²	69.3	17%	0.173	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.1	-175.9	-64.9	-85.9	0	0	0	108.3	A155 S165 Y166 S168 K169	A155-Y157 HydrophobicContact CB-CE2 3.98Å; Y157-S165 CarbonylContact O-C 3.57Å; Y157-Y166 PolarHBondContact N-O 2.84Å; Y157-Y166 WeakPolarHBondContact O-CD2 3.46Å; Y157-Y166 PolarHBondContact O-N 2.81Å; Y157-S168 VanDerWaalsContact CD2-C 3.44Å; Y157-K169 HydrophobicContact CD1-CB 4.23Å; Y157-K169 HydrophobicContact CD2-CB 4.46Å; Y157-K169 HydrophobicContact CE1-CB 3.98Å; Y157-K169 HydrophobicContact CE1-CG 4.34Å; Y157-K169 HydrophobicContact CE2-CB 4.22Å; Y157-K169 HydrophobicContact CG-CB 4.46Å
158	S	87.8	Confident	85.8	Confident	69 Å²	69	68.5 Å²	68.5	48%	0.483	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.8	178.9	50.4	0	0	0	0	112.3	R164 L172	S158-R164 CarbonylContact C-O 3.59Å; S158-R164 WeakPolarHBondContact CA-O 3.49Å; S158-L172 WeakPolarHBondContact O-CD2 3.33Å
159	C	90.9	Very high	86	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.395	C	S	.	.			trans	-73.1	126.6	168.1	-178	0	0	0	0	109.9	V161 F163 R164 L172 H175 Y176 H181	C159-V161 PolarHBondContact O-N 3.33Å; C159-F163 WeakPolarHBondContact O-CA 3.39Å; C159-F163 PolarHBondContact O-N 3.43Å; C159-R164 PolarHBondContact N-O 2.8Å; C159-L172 HydrophobicContact CB-CD1 3.7Å; C159-H175 PolarHBondContact SG-NE2 2.99Å; C159-Y176 HydrophobicContact CB-CE1 4.37Å; C159-Y176 VanDerWaalsContact SG-CE1 3.51Å; C159-H181 PolarHBondContact SG-ND1 2.91Å
160	S	87.6	Confident	85.8	Confident	33 Å²	33	73.2 Å²	73.2	23%	0.231	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.5	178	54	0	0	0	0	113.9	F163 T184	S160-F163 WeakPolarHBondContact O-CZ 3.4Å; S160-T184 PolarHBondContact OG-OG1 3.32Å
161	V	89.8	Confident	85.9	Confident	73 Å²	73	73 Å²	73	44%	0.442	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-41.1	-173	-179.1	0	0	0	0	112.7	C159 H181	C159-V161 PolarHBondContact O-N 3.33Å; V161-H181 HydrophobicContact CB-CB 4.21Å; V161-H181 HydrophobicContact CG2-CB 4.05Å
162	C	92.2	Very high	86.2	Confident	43 Å²	43	66.7 Å²	66.7	29%	0.291	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	7.9	-175.6	72.4	0	0	0	0	114.7	R164 H175 H181	C162-R164 PolarHBondContact O-N 2.98Å; C162-H175 VanDerWaalsContact SG-CE1 3.56Å; C162-H175 PolarHBondContact SG-NE2 3.38Å; C162-H181 VanDerWaalsContact SG-CE1 3.58Å
163	F	88.2	Confident	86.6	Confident	164 Å²	164	66.6 Å²	66.6	72%	0.719	38%	0.375	S	S	*	.			trans	56.3	9.7	174.4	-51.5	-73.1	0	0	0	116.6	C159 S160 S165	C159-F163 WeakPolarHBondContact O-CA 3.39Å; C159-F163 PolarHBondContact O-N 3.43Å; S160-F163 WeakPolarHBondContact O-CZ 3.4Å; F163-S165 PolarHBondContact O-N 3.4Å
164	R	87.7	Confident	87	Confident	162 Å²	162	68.5 Å²	68.5	61%	0.611	38%	0.381	S	S	*	.			trans	-62.7	125.3	171.5	-73.1	-178.3	178.4	-100.5	0.3	109.2	S158 C159 C162 Y166	S158-R164 CarbonylContact C-O 3.59Å; S158-R164 WeakPolarHBondContact CA-O 3.49Å; C159-R164 PolarHBondContact N-O 2.8Å; C162-R164 PolarHBondContact O-N 2.98Å; R164-Y166 HydrophobicContact CB-CE2 3.69Å; R164-Y166 WeakPolarHBondContact CB-OH 3.07Å; R164-Y166 WeakPolarHBondContact CD-OH 3.49Å; R164-Y166 WeakPolarHBondContact O-CD2 3.49Å; R164-Y166 VanDerWaalsContact O-CE2 3.31Å; R164-Y166 WeakPolarHBondContact O-CE2 3.49Å
165	S	89.1	Confident	87.5	Confident	87 Å²	87	66 Å²	66	61%	0.608	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.8	175.2	51	0	0	0	0	111.3	Y157 F163	Y157-S165 CarbonylContact O-C 3.57Å; F163-S165 PolarHBondContact O-N 3.4Å
166	Y	87.8	Confident	88	Confident	49 Å²	49	65 Å²	65	19%	0.192	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.6	178.8	-61.1	-85.9	0	0	0	109.4	T156 Y157 R164 S168 H171 L172 H175	T156-Y166 WeakPolarHBondContact CA-O 3.36Å; Y157-Y166 PolarHBondContact N-O 2.84Å; Y157-Y166 WeakPolarHBondContact O-CD2 3.46Å; Y157-Y166 PolarHBondContact O-N 2.81Å; R164-Y166 HydrophobicContact CB-CE2 3.69Å; R164-Y166 WeakPolarHBondContact CB-OH 3.07Å; R164-Y166 WeakPolarHBondContact CD-OH 3.49Å; R164-Y166 WeakPolarHBondContact O-CD2 3.49Å; R164-Y166 VanDerWaalsContact O-CE2 3.31Å; R164-Y166 WeakPolarHBondContact O-CE2 3.49Å; Y166-S168 VanDerWaalsContact C-N 3.28Å; Y166-S168 PolarHBondContact O-N 3.16Å; Y166-H171 HydrophobicContact CD1-CB 3.77Å; Y166-H171 HydrophobicContact CG-CB 4.14Å; Y166-L172 HydrophobicContact CD2-CB 3.89Å; Y166-L172 HydrophobicContact CD2-CD1 3.74Å; Y166-L172 HydrophobicContact CD2-CG 4.4Å; Y166-L172 HydrophobicContact CE2-CD1 3.92Å; Y166-L172 HydrophobicContact CG-CB 4.24Å; Y166-H175 HydrophobicContact CE1-CB 4.14Å; Y166-H175 HydrophobicContact CE2-CB 3.91Å; Y166-H175 AromaticContact CE2-CD2 3.96Å; Y166-H175 AromaticContact CE2-CG 3.81Å; Y166-H175 AromaticContact CZ-CG 3.58Å; Y166-H175 AromaticContact CZ-ND1 3.91Å; Y166-H175 PolarHBondContact OH-ND1 2.89Å
167	S	83.6	Confident	88.2	Confident	101 Å²	101	68.9 Å²	68.9	71%	0.706	34%	0.342	S	S	*	.	S	Bend	trans	-78.3	-9	179.3	48.6	0	0	0	0	114.1
168	S	84.2	Confident	88.5	Confident	12 Å²	12	76.2 Å²	76.2	8%	0.084	37%	0.369	C	S	.	.	S	Bend	trans	-148.3	149.3	-177.5	137.7	0	0	0	0	111	Y157 Y166 K170 H171 L172 D357	Y157-S168 VanDerWaalsContact CD2-C 3.44Å; Y166-S168 VanDerWaalsContact C-N 3.28Å; Y166-S168 PolarHBondContact O-N 3.16Å; S168-K170 VanDerWaalsContact C-N 3.28Å; S168-K170 PolarHBondContact O-N 3.14Å; S168-K170 PolarHBondContact OG-N 3.12Å; S168-H171 PolarHBondContact O-N 3.15Å; S168-H171 PolarHBondContact OG-ND1 2.93Å; S168-L172 PolarHBondContact O-N 3.22Å; S168-D357 WeakPolarHBondContact CB-OD2 3.33Å; S168-D357 PolarHBondContact OG-OD2 2.96Å
169	K	86.4	Confident	88.5	Confident	99 Å²	99	75.6 Å²	75.6	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-37.8	179.8	-172.9	-179.7	176.7	-176.4	0	111.3	Y157 H171 L172 L173	Y157-K169 HydrophobicContact CD1-CB 4.23Å; Y157-K169 HydrophobicContact CD2-CB 4.46Å; Y157-K169 HydrophobicContact CE1-CB 3.98Å; Y157-K169 HydrophobicContact CE1-CG 4.34Å; Y157-K169 HydrophobicContact CE2-CB 4.22Å; Y157-K169 HydrophobicContact CG-CB 4.46Å; K169-H171 VanDerWaalsContact C-N 3.34Å; K169-H171 PolarHBondContact O-N 2.89Å; K169-L172 PolarHBondContact O-N 3.25Å; K169-L173 WeakPolarHBondContact O-CB 3.15Å; K169-L173 PolarHBondContact O-N 2.96Å
170	K	83	Confident	88.2	Confident	77 Å²	77	79 Å²	79	34%	0.335	40%	0.4	S	S	.	.	H	α-helix	trans	-57.8	-43.8	177.1	175.8	174.3	173	174	0	112.1	S168 L173 Q174 D355 E356	S168-K170 VanDerWaalsContact C-N 3.28Å; S168-K170 PolarHBondContact O-N 3.14Å; S168-K170 PolarHBondContact OG-N 3.12Å; K170-L173 PolarHBondContact O-N 3.24Å; K170-Q174 VanDerWaalsContact O-CB 3.3Å; K170-Q174 WeakPolarHBondContact O-CB 3.49Å; K170-Q174 PolarHBondContact O-N 2.9Å; K170-D355 IonicContact NZ-OD1 2.75Å; K170-D355 PolarHBondContact NZ-OD1 3.42Å; K170-E356 HydrophobicContact CD-CB 4.4Å
171	H	88.2	Confident	88.2	Confident	82 Å²	82	79.8 Å²	79.8	38%	0.38	40%	0.4	S	S	.	.	H	α-helix	trans	-67.5	-39	178.7	-71	89.8	0	0	0	112.4	Y166 S168 K169 H175	Y166-H171 HydrophobicContact CD1-CB 3.77Å; Y166-H171 HydrophobicContact CG-CB 4.14Å; S168-H171 PolarHBondContact O-N 3.15Å; S168-H171 PolarHBondContact OG-ND1 2.93Å; K169-H171 VanDerWaalsContact C-N 3.34Å; K169-H171 PolarHBondContact O-N 2.89Å; H171-H175 WeakPolarHBondContact O-CB 3.24Å; H171-H175 PolarHBondContact O-N 2.83Å
172	L	90.2	Very high	87.5	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.01	40%	0.402	C	S	.	.	H	α-helix	trans	-66.4	-41	172.8	176.4	60.4	0	0	0	111.9	S158 C159 Y166 S168 K169 H175 Y176 L187	S158-L172 WeakPolarHBondContact O-CD2 3.33Å; C159-L172 HydrophobicContact CB-CD1 3.7Å; Y166-L172 HydrophobicContact CD2-CB 3.89Å; Y166-L172 HydrophobicContact CD2-CD1 3.74Å; Y166-L172 HydrophobicContact CD2-CG 4.4Å; Y166-L172 HydrophobicContact CE2-CD1 3.92Å; Y166-L172 HydrophobicContact CG-CB 4.24Å; S168-L172 PolarHBondContact O-N 3.22Å; K169-L172 PolarHBondContact O-N 3.25Å; L172-H175 WeakPolarHBondContact O-CB 3.47Å; L172-H175 PolarHBondContact O-N 3.08Å; L172-Y176 HydrophobicContact CD1-CD2 4.16Å; L172-Y176 HydrophobicContact CD1-CE1 4.33Å; L172-Y176 HydrophobicContact CD1-CE2 3.74Å; L172-Y176 HydrophobicContact CD2-CE2 3.74Å; L172-Y176 HydrophobicContact CG-CD2 3.92Å; L172-Y176 HydrophobicContact CG-CE2 3.48Å; L172-Y176 VanDerWaalsContact CG-CE2 3.48Å; L172-Y176 WeakPolarHBondContact O-CD2 3.49Å; L172-Y176 PolarHBondContact O-N 2.89Å; L172-L187 HydrophobicContact CD2-CD1 3.62Å
173	L	88.8	Confident	86.6	Confident	70 Å²	70	81.3 Å²	81.3	37%	0.366	41%	0.409	S	S	.	.	H	α-helix	trans	-68.2	-37.6	178.5	-168.3	65.1	0	0	0	112.1	K169 K170 H175 Y176 R177	K169-L173 WeakPolarHBondContact O-CB 3.15Å; K169-L173 PolarHBondContact O-N 2.96Å; K170-L173 PolarHBondContact O-N 3.24Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-Y176 PolarHBondContact O-N 3.16Å; L173-R177 WeakPolarHBondContact O-CG 2.91Å; L173-R177 PolarHBondContact O-N 3.1Å
174	Q	90.7	Very high	85.1	Confident	56 Å²	56	78 Å²	78	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-63.6	-36.4	169.9	179.3	173.2	-39.2	0	0	112.1	K170 R178	K170-Q174 VanDerWaalsContact O-CB 3.3Å; K170-Q174 WeakPolarHBondContact O-CB 3.49Å; K170-Q174 PolarHBondContact O-N 2.9Å; Q174-R178 VanDerWaalsContact NE2-CZ 3.31Å; Q174-R178 WeakPolarHBondContact O-CB 3.11Å; Q174-R178 VanDerWaalsContact O-CG 3.3Å; Q174-R178 WeakPolarHBondContact O-CG 3.39Å; Q174-R178 PolarHBondContact O-N 3.37Å
175	H	91.2	Very high	83.3	Confident	19 Å²	19	74.9 Å²	74.9	9%	0.088	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-47.4	172.3	169	73.4	0	0	0	112.1	C159 C162 Y166 H171 L172 L173 R177 R178 S179 H181	C159-H175 PolarHBondContact SG-NE2 2.99Å; C162-H175 VanDerWaalsContact SG-CE1 3.56Å; C162-H175 PolarHBondContact SG-NE2 3.38Å; Y166-H175 HydrophobicContact CE1-CB 4.14Å; Y166-H175 HydrophobicContact CE2-CB 3.91Å; Y166-H175 AromaticContact CE2-CD2 3.96Å; Y166-H175 AromaticContact CE2-CG 3.81Å; Y166-H175 AromaticContact CZ-CG 3.58Å; Y166-H175 AromaticContact CZ-ND1 3.91Å; Y166-H175 PolarHBondContact OH-ND1 2.89Å; H171-H175 WeakPolarHBondContact O-CB 3.24Å; H171-H175 PolarHBondContact O-N 2.83Å; L172-H175 WeakPolarHBondContact O-CB 3.47Å; L172-H175 PolarHBondContact O-N 3.08Å; L173-H175 VanDerWaalsContact C-N 3.31Å; H175-R177 VanDerWaalsContact C-N 3.34Å; H175-R177 PolarHBondContact O-N 3.33Å; H175-R178 PolarHBondContact O-N 3.01Å; H175-R178 VanDerWaalsContact O-N 3.16Å; H175-S179 PolarHBondContact CE1-OG 2.8Å; H175-S179 PolarHBondContact ND1-OG 3.36Å; H175-S179 WeakPolarHBondContact O-CB 3.47Å; H175-S179 PolarHBondContact O-N 3.37Å; H175-S179 PolarHBondContact O-OG 3.44Å; H175-H181 AromaticContact CE1-ND1 3.95Å; H175-H181 AromaticContact NE2-CE1 3.87Å; H175-H181 AromaticContact NE2-ND1 3.34Å; H175-H181 PolarHBondContact NE2-ND1 3.08Å
176	Y	90.9	Very high	81	Confident	14 Å²	14	74.8 Å²	74.8	6%	0.055	40%	0.396	C	S	.	.	H	α-helix	trans	-54.1	-49.7	174.2	-73.9	-50.2	0	0	0	111.4	C159 L172 L173 R178 G180 H181 N183	C159-Y176 HydrophobicContact CB-CE1 4.37Å; C159-Y176 VanDerWaalsContact SG-CE1 3.51Å; L172-Y176 HydrophobicContact CD1-CD2 4.16Å; L172-Y176 HydrophobicContact CD1-CE1 4.33Å; L172-Y176 HydrophobicContact CD1-CE2 3.74Å; L172-Y176 HydrophobicContact CD2-CE2 3.74Å; L172-Y176 HydrophobicContact CG-CD2 3.92Å; L172-Y176 HydrophobicContact CG-CE2 3.48Å; L172-Y176 VanDerWaalsContact CG-CE2 3.48Å; L172-Y176 WeakPolarHBondContact O-CD2 3.49Å; L172-Y176 PolarHBondContact O-N 2.89Å; L173-Y176 PolarHBondContact O-N 3.16Å; Y176-R178 PolarHBondContact O-N 3.37Å; Y176-G180 PolarHBondContact O-N 3.28Å; Y176-H181 HydrophobicContact CD1-CB 3.73Å; Y176-H181 VanDerWaalsContact CD1-O 3.24Å; Y176-H181 WeakPolarHBondContact CD1-O 3.24Å; Y176-H181 HydrophobicContact CE1-CB 4.27Å; Y176-H181 PolarHBondContact O-N 3.22Å; Y176-N183 HydrophobicContact CD2-CB 4.07Å; Y176-N183 HydrophobicContact CE2-CB 4.07Å; Y176-N183 WeakPolarHBondContact CE2-OD1 3.42Å; Y176-N183 HydrophobicContact CG-CB 4.45Å
177	R	89.6	Confident	79.2	Confident	190 Å²	190	74.6 Å²	74.6	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-60	-38.4	176.7	-72.2	-170.5	-67	166	-3.4	113.9	L173 H175	L173-R177 WeakPolarHBondContact O-CG 2.91Å; L173-R177 PolarHBondContact O-N 3.1Å; H175-R177 VanDerWaalsContact C-N 3.34Å; H175-R177 PolarHBondContact O-N 3.33Å
178	R	91.3	Very high	77.2	Confident	198 Å²	198	76.2 Å²	76.2	75%	0.747	40%	0.399	S	S	*	.	H	α-helix	trans	-84.4	-26.9	-176.8	-74.2	179.5	177	-171.6	-1.4	114.4	Q174 H175 Y176	Q174-R178 VanDerWaalsContact NE2-CZ 3.31Å; Q174-R178 WeakPolarHBondContact O-CB 3.11Å; Q174-R178 VanDerWaalsContact O-CG 3.3Å; Q174-R178 WeakPolarHBondContact O-CG 3.39Å; Q174-R178 PolarHBondContact O-N 3.37Å; H175-R178 PolarHBondContact O-N 3.01Å; H175-R178 VanDerWaalsContact O-N 3.16Å; Y176-R178 PolarHBondContact O-N 3.37Å
179	S	87.6	Confident	74.9	Confident	56 Å²	56	80.4 Å²	80.4	39%	0.392	43%	0.429	S	S	.	.	H	α-helix	trans	-100.1	-1.1	-177.5	-61.2	0	0	0	0	113.8	H175 H181	H175-S179 PolarHBondContact CE1-OG 2.8Å; H175-S179 PolarHBondContact ND1-OG 3.36Å; H175-S179 WeakPolarHBondContact O-CB 3.47Å; H175-S179 PolarHBondContact O-N 3.37Å; H175-S179 PolarHBondContact O-OG 3.44Å; S179-H181 PolarHBondContact O-CD2 3.14Å; S179-H181 PolarHBondContact O-N 3.34Å; S179-H181 VanDerWaalsContact O-N 3.13Å
180	G	83.9	Confident	72.9	Confident	72 Å²	72	81.2 Å²	81.2	74%	0.742	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	13.5	-174	0	0	0	0	0	113.5	Y176	Y176-G180 PolarHBondContact O-N 3.28Å
181	H	87.7	Confident	70.5	Confident	49 Å²	49	83 Å²	83	23%	0.227	46%	0.455	C	S	.	.			trans	-76.9	128.8	179.3	-69	178.3	0	0	0	109.1	C159 V161 C162 H175 Y176 S179	C159-H181 PolarHBondContact SG-ND1 2.91Å; V161-H181 HydrophobicContact CB-CB 4.21Å; V161-H181 HydrophobicContact CG2-CB 4.05Å; C162-H181 VanDerWaalsContact SG-CE1 3.58Å; H175-H181 AromaticContact CE1-ND1 3.95Å; H175-H181 AromaticContact NE2-CE1 3.87Å; H175-H181 AromaticContact NE2-ND1 3.34Å; H175-H181 PolarHBondContact NE2-ND1 3.08Å; Y176-H181 HydrophobicContact CD1-CB 3.73Å; Y176-H181 VanDerWaalsContact CD1-O 3.24Å; Y176-H181 WeakPolarHBondContact CD1-O 3.24Å; Y176-H181 HydrophobicContact CE1-CB 4.27Å; Y176-H181 PolarHBondContact O-N 3.22Å; S179-H181 PolarHBondContact O-CD2 3.14Å; S179-H181 PolarHBondContact O-N 3.34Å; S179-H181 VanDerWaalsContact O-N 3.13Å
182	S	76.2	Confident	68	Low	69 Å²	69	86.4 Å²	86.4	48%	0.483	47%	0.469	S	S	.	.			trans	-72.7	136.7	177.8	51.8	0	0	0	0	111.4	T184	S182-T184 PolarHBondContact O-N 3.41Å; S182-T184 PolarHBondContact O-OG1 2.78Å; S182-T184 VanDerWaalsContact OG-CG2 3.27Å; S182-T184 WeakPolarHBondContact OG-CG2 3.24Å
183	N	71.6	Confident	65.5	Low	80 Å²	80	92.3 Å²	92.3	43%	0.428	51%	0.505	S	S	.	.			trans	-77.1	64.5	172.5	-170.8	18.9	0	0	0	110.2	Y176 L185	Y176-N183 HydrophobicContact CD2-CB 4.07Å; Y176-N183 HydrophobicContact CE2-CB 4.07Å; Y176-N183 WeakPolarHBondContact CE2-OD1 3.42Å; Y176-N183 HydrophobicContact CG-CB 4.45Å; N183-L185 PolarHBondContact O-N 3.05Å; N183-L185 PolarHBondContact OD1-O 2.87Å
184	T	57.1	Low	63	Low	95 Å²	95	94.6 Å²	94.6	58%	0.583	51%	0.514	S	S	*	.			trans	-75.8	1.5	-172.4	36.2	0	0	0	0	115	S160 S182	S160-T184 PolarHBondContact OG-OG1 3.32Å; S182-T184 PolarHBondContact O-N 3.41Å; S182-T184 PolarHBondContact O-OG1 2.78Å; S182-T184 VanDerWaalsContact OG-CG2 3.27Å; S182-T184 WeakPolarHBondContact OG-CG2 3.24Å
185	L	50.4	Low	60.3	Low	95 Å²	95	99.3 Å²	99.3	50%	0.497	54%	0.541	S	S	.	.	S	Bend	trans	-126.5	115.6	173.1	-66.8	175.9	0	0	0	108.8	N183 L187	N183-L185 PolarHBondContact O-N 3.05Å; N183-L185 PolarHBondContact OD1-O 2.87Å; L185-L187 PolarHBondContact O-N 2.87Å
186	S	39.6	Very low	57.7	Low	86 Å²	86	103.6 Å²	103.6	60%	0.601	57%	0.569	S	S	*	*			trans	-60.9	104.2	175.7	-174.2	0	0	0	0	110	N188	S186-N188 PolarHBondContact O-N 2.89Å
187	L	50.3	Low	55.2	Low	44 Å²	44	108.6 Å²	108.6	23%	0.23	60%	0.603	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.8	45	-179.2	-73.6	169.9	0	0	0	112.8	L172 L185 I190	L172-L187 HydrophobicContact CD2-CD1 3.62Å; L185-L187 PolarHBondContact O-N 2.87Å; L187-I190 HydrophobicContact CD2-CD1 3.85Å
188	N	43.1	Very low	52.6	Low	136 Å²	136	107.4 Å²	107.4	73%	0.727	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-7.5	170.4	-72.7	-9.4	0	0	0	112.4	S186	S186-N188 PolarHBondContact O-N 2.89Å
189	S	35.8	Very low	50	Low	100 Å²	100	109.5 Å²	109.5	70%	0.699	62%	0.619	S	S	*	*			trans	-160.2	82.8	-178.7	54.1	0	0	0	0	113.4
190	I	43.1	Very low	47.8	Very low	115 Å²	115	111.5 Å²	111.5	59%	0.59	63%	0.633	S	S	*	*			trans	-123.2	117.7	161.7	-57.4	-176.8	0	0	0	108.4	L187	L187-I190 HydrophobicContact CD2-CD1 3.85Å
191	P	33.8	Very low	45.5	Very low	114 Å²	114	113.7 Å²	113.7	74%	0.74	63%	0.634	S	S	*	*			trans	-64.8	140.1	178.2	-21.8	33.4	0	0	0	112.8	V193	P191-V193 PolarHBondContact O-N 2.79Å
192	K	34.6	Very low	43	Very low	154 Å²	154	116.5 Å²	116.5	67%	0.67	66%	0.659	S	S	*	*			trans	-30.1	100.5	164.1	-173	-163.8	-171.4	-157.8	0	113.7	E194	K192-E194 HydrophobicContact CD-CB 4.37Å; K192-E194 WeakPolarHBondContact CE-OE1 3.39Å; K192-E194 WeakPolarHBondContact CE-OE2 3.18Å; K192-E194 HydrophobicContact CG-CB 4.24Å; K192-E194 IonicContact NZ-OE1 2.65Å; K192-E194 PolarHBondContact NZ-OE1 2.98Å; K192-E194 IonicContact NZ-OE2 3.67Å; K192-E194 PolarHBondContact NZ-OE2 3.3Å; K192-E194 PolarHBondContact O-N 3.25Å
193	V	38	Very low	41.6	Very low	126 Å²	126	123.5 Å²	123.5	76%	0.764	68%	0.681	S	S	*	*			trans	-80.1	93.5	160.2	-179.2	0	0	0	0	107.5	P191 N195	P191-V193 PolarHBondContact O-N 2.79Å; V193-N195 PolarHBondContact O-N 3.18Å
194	E	37.5	Very low	40.1	Very low	119 Å²	119	128 Å²	128	56%	0.556	70%	0.699	S	S	*	*			trans	-78.4	97.9	179.3	-170.9	158.7	-137.1	0	0	109.9	K192 T196	K192-E194 HydrophobicContact CD-CB 4.37Å; K192-E194 WeakPolarHBondContact CE-OE1 3.39Å; K192-E194 WeakPolarHBondContact CE-OE2 3.18Å; K192-E194 HydrophobicContact CG-CB 4.24Å; K192-E194 IonicContact NZ-OE1 2.65Å; K192-E194 PolarHBondContact NZ-OE1 2.98Å; K192-E194 IonicContact NZ-OE2 3.67Å; K192-E194 PolarHBondContact NZ-OE2 3.3Å; K192-E194 PolarHBondContact O-N 3.25Å; E194-T196 HydrophobicContact CG-CG2 4.27Å; E194-T196 PolarHBondContact O-N 2.84Å
195	N	34	Very low	39.2	Very low	154 Å²	154	129.8 Å²	129.8	82%	0.824	71%	0.71	S	S	*	*			trans	-69.9	77.8	167.6	-85.9	-29.7	0	0	0	109.9	V193	V193-N195 PolarHBondContact O-N 3.18Å
196	T	36.6	Very low	38.6	Very low	109 Å²	109	129.6 Å²	129.6	67%	0.669	72%	0.717	S	S	*	*			trans	-66.9	130.1	164	27.5	0	0	0	0	109.5	E194 N198	E194-T196 HydrophobicContact CG-CG2 4.27Å; E194-T196 PolarHBondContact O-N 2.84Å; T196-N198 PolarHBondContact O-N 3.5Å
197	P	37.6	Very low	38.6	Very low	120 Å²	120	133.1 Å²	133.1	78%	0.779	73%	0.727	S	S	*	*			trans	-68.1	122.2	172.4	27.7	-32.2	0	0	0	109.2	R199	P197-R199 PolarHBondContact O-N 3.25Å; P197-R199 VanDerWaalsContact O-N 3.1Å
198	N	35.8	Very low	38	Very low	164 Å²	164	136 Å²	136	88%	0.877	75%	0.749	S	S	*	*			trans	-53.1	114.1	178.3	-115.5	-31.5	0	0	0	111	T196	T196-N198 PolarHBondContact O-N 3.5Å
199	R	36.2	Very low	37.6	Very low	242 Å²	242	134.8 Å²	134.8	91%	0.913	75%	0.751	S	S	*	*			trans	-124.4	83	170.7	-161.1	177.4	-170.6	-163.2	2	110.1	P197	P197-R199 PolarHBondContact O-N 3.25Å; P197-R199 VanDerWaalsContact O-N 3.1Å
200	S	40.3	Very low	37.8	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	76%	0.763	S	S	*	*			trans	-63.2	157.7	174.3	-53.2	0	0	0	0	112.1
201	P	36.1	Very low	37.4	Very low	117 Å²	117	144.4 Å²	144.4	76%	0.76	78%	0.777	S	S	*	*			trans	-91.1	152.3	-152.9	34.4	-36.8	0	0	0	116.1
202	S	36	Very low	37.7	Very low	108 Å²	108	146.1 Å²	146.1	76%	0.755	79%	0.785	S	S	*	*			trans	31.1	112.9	143.1	-54.6	0	0	0	0	120.4
203	K	46.7	Very low	37.8	Very low	216 Å²	216	144 Å²	144	94%	0.939	79%	0.785	S	S	*	*			trans	-155.1	121.1	132.8	-106.8	161.9	-170.2	178.3	0	109.8
204	H	40.3	Very low	37.8	Very low	174 Å²	174	148.4 Å²	148.4	81%	0.806	79%	0.788	S	S	*	*			trans	-94.6	159.2	175.4	-87.7	-105.5	0	0	0	111.2
205	T	36.7	Very low	38	Very low	134 Å²	134	149.5 Å²	149.5	82%	0.822	80%	0.798	S	S	*	*			trans	75.5	123.3	160.4	-43.8	0	0	0	0	115.2
206	S	39	Very low	38.3	Very low	91 Å²	91	147.5 Å²	147.5	64%	0.636	79%	0.793	S	S	*	*			cis	-167.4	134.8	-5.5	47.4	0	0	0	0	112.8
207	I	40	Very low	38.7	Very low	159 Å²	159	149.5 Å²	149.5	82%	0.815	80%	0.798	S	S	*	*				46.1	134.6	126.3	-49.1	170.4	0	0	0	119.2
208	P	36	Very low	39.1	Very low	106 Å²	106	149.4 Å²	149.4	69%	0.688	80%	0.797	S	S	*	*			cis	-146.4	-173.7	-31.6	43.6	-23.2	0	0	0	115.3
209	S	35.8	Very low	39.4	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	79%	0.788	S	S	*	*			trans	53.9	109.5	145.9	-63	0	0	0	0	122.5
210	L	39.5	Very low	39.3	Very low	182 Å²	182	140.6 Å²	140.6	95%	0.953	78%	0.783	S	S	*	*				-158.1	139.3	123.1	-111.4	155.2	0	0	0	111.7
211	R	34.4	Very low	39.2	Very low	235 Å²	235	139.6 Å²	139.6	89%	0.887	79%	0.789	S	S	*	*			trans	-88.5	136.7	-178.3	-57.8	170.2	-179.3	161.6	-1.2	110.7
212	V	40.7	Very low	39.5	Very low	150 Å²	150	140.2 Å²	140.2	91%	0.909	80%	0.795	S	S	*	*			trans	-139.7	155.1	144.4	-174.4	0	0	0	0	108.9
213	T	36.3	Very low	39.5	Very low	110 Å²	110	141 Å²	141	68%	0.675	80%	0.8	S	S	*	*			trans	-105.9	154	-152.5	-13.5	0	0	0	0	114.3
214	R	37.3	Very low	39.4	Very low	217 Å²	217	133.4 Å²	133.4	82%	0.819	78%	0.783	S	S	*	*			trans	45.8	130.1	141.7	-86.8	175.4	178.9	152.3	-2	118.6
215	N	43.2	Very low	39.8	Very low	143 Å²	143	131.1 Å²	131.1	77%	0.765	78%	0.784	S	S	*	*				-170.4	-179	60.2	-113.2	-4.4	0	0	0	112.2
216	P	40.3	Very low	40	Very low	111 Å²	111	132.6 Å²	132.6	72%	0.721	79%	0.786	S	S	*	*			trans	-114.8	179.5	-140.2	44	-39	0	0	0	119.8
217	I	45.4	Very low	40	Very low	152 Å²	152	136.3 Å²	136.3	78%	0.779	80%	0.796	S	S	*	*			trans	-39.7	145.7	176.6	-57.5	150.4	0	0	0	117.9
218	P	45.1	Very low	40.1	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	80%	0.795	S	S	*	*			trans	-116.6	163.9	140.7	37.3	-28.5	0	0	0	113.3
219	P	41.6	Very low	40.3	Very low	106 Å²	106	136.3 Å²	136.3	69%	0.688	80%	0.798	S	S	*	*			trans	-109.1	165.5	-147.7	41.1	-37	0	0	0	117.3
220	S	35.5	Very low	40.5	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	80%	0.802	S	S	*	*			trans	19.6	100.1	151.8	60.3	0	0	0	0	119.2
221	G	38.2	Very low	40.4	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	79%	0.793	S	S	*	*			trans	-102.2	119.2	155.8	0	0	0	0	0	110.7
222	S	41.4	Very low	40.8	Very low	129 Å²	129	133.5 Å²	133.5	90%	0.902	79%	0.789	S	S	*	*			trans	-68.9	129.3	172	176.3	0	0	0	0	110.4
223	C	35.7	Very low	41.1	Very low	125 Å²	125	131.2 Å²	131.2	85%	0.845	78%	0.776	S	S	*	*			trans	-142.7	108.3	168.5	-162.8	0	0	0	0	108.8
224	G	44.3	Very low	41.6	Very low	57 Å²	57	131.6 Å²	131.6	59%	0.588	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-78.8	149.3	176.9	0	0	0	0	0	111.5	L226	G224-L226 PolarHBondContact O-N 3.45Å
225	P	49.9	Very low	41.9	Very low	126 Å²	126	127.5 Å²	127.5	82%	0.818	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-70.5	127.9	170.3	30.2	-32	0	0	0	109.4	I227	P225-I227 PolarHBondContact O-N 3.25Å
226	L	41	Very low	42.2	Very low	165 Å²	165	126.2 Å²	126.2	86%	0.864	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.4	172.6	-70.3	167	0	0	0	109.9	G224 L228	G224-L226 PolarHBondContact O-N 3.45Å; L226-L228 PolarHBondContact O-N 2.92Å; L226-L228 VanDerWaalsContact O-N 3.16Å
227	I	39.4	Very low	42.2	Very low	168 Å²	168	127.5 Å²	127.5	86%	0.862	78%	0.784	S	S	*	*			trans	-72.7	105.1	168.6	-62.4	173.3	0	0	0	107.3	P225	P225-I227 PolarHBondContact O-N 3.25Å
228	L	40.4	Very low	42.3	Very low	149 Å²	149	125.5 Å²	125.5	78%	0.78	78%	0.781	S	S	*	*			trans	-89.7	125.3	170.8	-147.3	80.2	0	0	0	108.8	L226 L230	L226-L228 PolarHBondContact O-N 2.92Å; L226-L228 VanDerWaalsContact O-N 3.16Å; L228-L230 PolarHBondContact O-N 3.44Å
229	P	41.7	Very low	41.7	Very low	117 Å²	117	127.3 Å²	127.3	76%	0.76	78%	0.784	S	S	*	*			trans	-73	112.9	177.7	28.4	-32.5	0	0	0	110.2	L231	P229-L231 PolarHBondContact O-N 3.33Å
230	L	39.6	Very low	41.5	Very low	164 Å²	164	128.7 Å²	128.7	86%	0.859	79%	0.79	S	S	*	*			trans	-77.6	110	173.9	-107	165.9	0	0	0	110.1	L228 I232	L228-L230 PolarHBondContact O-N 3.44Å; L230-I232 PolarHBondContact O-N 3.45Å
231	L	36.7	Very low	41.5	Very low	146 Å²	146	127.2 Å²	127.2	76%	0.764	78%	0.78	S	S	*	*			trans	-82.9	107.2	-179.9	-162	153.2	0	0	0	109.3	P229 V233	P229-L231 PolarHBondContact O-N 3.33Å; L231-V233 HydrophobicContact CD2-CG2 3.79Å
232	I	44.1	Very low	41.2	Very low	157 Å²	157	130.4 Å²	130.4	81%	0.805	78%	0.778	S	S	*	*			trans	-84.2	114.7	-179.8	-60.9	175.2	0	0	0	109.2	L230	L230-I232 PolarHBondContact O-N 3.45Å
233	V	45.7	Very low	40.8	Very low	102 Å²	102	131.6 Å²	131.6	62%	0.618	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-94.6	134	174.5	-178.8	0	0	0	0	109.1	L231	L231-V233 HydrophobicContact CD2-CG2 3.79Å
234	P	46.8	Very low	40.6	Very low	119 Å²	119	132.2 Å²	132.2	77%	0.773	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.8	131.2	179.3	29.2	-34.2	0	0	0	111.7
235	V	43.6	Very low	40	Very low	131 Å²	131	134.8 Å²	134.8	79%	0.794	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-98.8	134.4	174.1	179.2	0	0	0	0	109.4
236	P	49.4	Very low	39.2	Very low	116 Å²	116	137.2 Å²	137.2	75%	0.753	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-75.1	149.4	-174	-14.3	30	0	0	0	113.8
237	V	40.2	Very low	38.8	Very low	138 Å²	138	136.2 Å²	136.2	84%	0.836	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-88.8	124.8	173.6	-160.3	0	0	0	0	109.6	N239	V237-N239 PolarHBondContact O-N 2.87Å
238	P	49	Very low	38.7	Very low	109 Å²	109	133.3 Å²	133.3	71%	0.708	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-79.5	121	173.5	30.2	-31.3	0	0	0	110.8
239	N	31.8	Very low	38.3	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-81.1	132	166.9	-171.1	19.9	0	0	0	108.9	V237	V237-N239 PolarHBondContact O-N 2.87Å
240	V	37.4	Very low	37.8	Very low	134 Å²	134	135 Å²	135	81%	0.812	77%	0.768	S	S	*	*			trans	-140.2	115.9	174	-142.4	0	0	0	0	109.2
241	S	34.9	Very low	37.5	Very low	85 Å²	85	131.8 Å²	131.8	59%	0.594	77%	0.765	S	S	*	*			trans	-101.6	154.6	176.1	58	0	0	0	0	111.4
242	D	31.4	Very low	37.2	Very low	145 Å²	145	133.5 Å²	133.5	78%	0.775	77%	0.774	S	S	*	*			trans	60.6	95.7	157.8	-46.4	-45	0	0	0	119.9
243	V	34.5	Very low	36.5	Very low	155 Å²	155	129.6 Å²	129.6	94%	0.939	77%	0.773	S	S	*	*			trans	-142.9	141.7	130.7	-168.8	0	0	0	0	110.1
244	N	31.4	Very low	35.9	Very low	138 Å²	138	130.7 Å²	130.7	74%	0.738	78%	0.784	S	S	*	*			trans	-90.5	137.4	-170.3	-172.5	45.9	0	0	0	114.1
245	V	31.1	Very low	35.3	Very low	111 Å²	111	132.8 Å²	132.8	67%	0.673	79%	0.787	S	S	*	*			trans	30.5	119.5	144.9	176.4	0	0	0	0	119.6
246	E	33.7	Very low	34.9	Very low	177 Å²	177	133.8 Å²	133.8	83%	0.827	79%	0.788	S	S	*	*				-172.2	118.2	109.2	-94.3	-162.2	174.6	0	0	114.5
247	N	32.4	Very low	34.3	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	79%	0.79	S	S	*	*			trans	77.8	146.2	135.7	-146.1	8.4	0	0	0	124
248	V	36.1	Very low	34.2	Very low	107 Å²	107	136.3 Å²	136.3	65%	0.648	79%	0.787	S	S	*	*			trans	75.4	81.2	163.5	-155.2	0	0	0	0	120.3
249	N	32.1	Very low	33.5	Very low	133 Å²	133	140.6 Å²	140.6	71%	0.711	80%	0.795	S	S	*	*				37.9	105.4	120.2	-51.4	-23.8	0	0	0	119.4
250	N	31.4	Very low	33.8	Very low	170 Å²	170	140.8 Å²	140.8	91%	0.909	80%	0.795	S	S	*	*				167.9	69.3	129.9	-86.5	-28.5	0	0	0	112.8
251	A	32.9	Very low	33.5	Very low	96 Å²	96	144 Å²	144	79%	0.793	80%	0.795	S	S	*	*			trans	-177.3	78	159.3	0	0	0	0	0	111.5
252	L	30.5	Very low	33.6	Very low	182 Å²	182	146 Å²	146	95%	0.953	80%	0.803	S	S	*	*			trans	-148.8	107.4	167.1	-140.7	74	0	0	0	110.2
253	G	29.8	Very low	33.7	Very low	75 Å²	75	145.1 Å²	145.1	77%	0.773	81%	0.808	S	S	*	*			trans	-170.9	35.9	-171.5	0	0	0	0	0	113.9
254	C	32.5	Very low	33.7	Very low	125 Å²	125	141.7 Å²	141.7	85%	0.845	80%	0.796	S	S	*	*			trans	-155.9	54.5	177.5	-97.4	0	0	0	0	111.9
255	L	34.8	Very low	33.9	Very low	163 Å²	163	142.9 Å²	142.9	85%	0.853	80%	0.801	S	S	*	*			trans	-142.4	97.5	163	-72.1	178.8	0	0	0	108.1
256	N	36.5	Very low	34.1	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	81%	0.809	S	S	*	*			trans	-114.6	127.9	170.4	-162.8	5.7	0	0	0	109.6	N258	N256-N258 PolarHBondContact O-N 3.24Å
257	M	35.5	Very low	34.2	Very low	161 Å²	161	139.1 Å²	139.1	79%	0.793	81%	0.805	S	S	*	*			trans	-81.7	109.5	-168.3	-62.7	-69.5	-166.3	0	0	110.4
258	N	38.5	Very low	34.4	Very low	146 Å²	146	140.7 Å²	140.7	78%	0.781	81%	0.813	S	S	*	*			trans	-133	16	171.2	-89.2	-32	0	0	0	113.5	N256	N256-N258 PolarHBondContact O-N 3.24Å
259	F	34.5	Very low	34.5	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.873	83%	0.825	S	S	*	*	S	Bend	trans	-95.3	140.3	159.4	-94	-107.9	0	0	0	108.3
260	L	37.2	Very low	34.6	Very low	160 Å²	160	147 Å²	147	84%	0.838	83%	0.83	S	S	*	*	S	Bend	trans	86.3	27.6	179.3	-47.5	179.3	0	0	0	118.7
261	Y	32.3	Very low	34.8	Very low	203 Å²	203	146.9 Å²	146.9	80%	0.796	83%	0.828	S	S	*	*			trans	-120.3	50.2	165.1	-108.5	-86.3	0	0	0	114.2
262	T	36.3	Very low	34.7	Very low	127 Å²	127	147.1 Å²	147.1	78%	0.779	82%	0.824	S	S	*	*	S	Bend	trans	-128.9	142.8	153.6	54.6	0	0	0	0	108
263	S	34.5	Very low	34.8	Very low	126 Å²	126	144 Å²	144	88%	0.881	81%	0.812	S	S	*	*	S	Bend	trans	86.8	40.6	-179.1	-32.7	0	0	0	0	119
264	A	33.7	Very low	35.3	Very low	82 Å²	82	148.6 Å²	148.6	68%	0.678	81%	0.814	S	S	*	*			trans	-157.5	47.4	168.7	0	0	0	0	0	117.3
265	L	36.5	Very low	35.5	Very low	163 Å²	163	150 Å²	150	85%	0.853	81%	0.811	S	S	*	*			trans	-121.7	69.7	168.4	-93	89.2	0	0	0	112.3
266	S	35.6	Very low	35.4	Very low	119 Å²	119	150.3 Å²	150.3	83%	0.832	81%	0.806	S	S	*	*	S	Bend	trans	-153.4	15.9	175.6	51.9	0	0	0	0	115.1
267	A	35.8	Very low	35.5	Very low	91 Å²	91	150.4 Å²	150.4	75%	0.752	80%	0.801	S	S	*	*			trans	-149.9	45.1	-173.5	0	0	0	0	0	116.3
268	L	36.3	Very low	35.2	Very low	175 Å²	175	150.3 Å²	150.3	92%	0.916	80%	0.804	S	S	*	*			trans	-139.8	67.2	166.5	-83.2	-179.5	0	0	0	112.7
269	R	36.6	Very low	35	Very low	238 Å²	238	148.3 Å²	148.3	90%	0.898	80%	0.799	S	S	*	*			trans	-117.7	154.8	146.4	-79	-167.6	176.8	-177.2	1.4	107.9
270	T	34.1	Very low	35	Very low	134 Å²	134	146.5 Å²	146.5	82%	0.822	80%	0.798	S	S	*	*			trans	73.3	97.2	-174.9	-12.2	0	0	0	0	114.4
271	I	37.2	Very low	34.7	Very low	168 Å²	168	148 Å²	148	86%	0.862	80%	0.798	S	S	*	*				-170.3	121	110.6	-88.1	150.6	0	0	0	106.7
272	S	30.7	Very low	34.8	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	80%	0.799	S	S	*	*			trans	-110.5	149.8	173.3	-173.5	0	0	0	0	108.8
273	T	32.7	Very low	34.7	Very low	115 Å²	115	146 Å²	146	71%	0.706	80%	0.796	S	S	*	*			trans	62.5	117.9	174	69.6	0	0	0	0	117.1
274	Q	40.1	Very low	34.4	Very low	173 Å²	173	146.5 Å²	146.5	81%	0.808	79%	0.788	S	S	*	*				172.2	170.4	101.1	-86.7	-171.8	22.4	0	0	110.8
275	I	35.3	Very low	33.9	Very low	153 Å²	153	150.7 Å²	150.7	79%	0.785	80%	0.798	S	S	*	*			trans	73.7	85.2	169.5	-42.9	178.8	0	0	0	114.7
276	F	34	Very low	33.7	Very low	171 Å²	171	148.2 Å²	148.2	75%	0.75	80%	0.795	S	S	*	*				96.4	110.4	73.7	-106.8	-110.2	0	0	0	115.9
277	Q	37.4	Very low	33.2	Very low	152 Å²	152	152 Å²	152	71%	0.71	80%	0.799	S	S	*	*			trans	53.2	106.7	141	-64.8	-178	-15.6	0	0	121.4
278	N	30.6	Very low	33.1	Very low	160 Å²	160	153 Å²	153	86%	0.856	80%	0.801	S	S	*	*				-157.1	115.8	116.4	-134	-63.6	0	0	0	112.2
279	P	33.2	Very low	32.7	Very low	104 Å²	104	149.2 Å²	149.2	68%	0.675	79%	0.794	S	S	*	*			trans	-106.5	115.4	171.2	33.9	-23.4	0	0	0	111
280	N	35.1	Very low	32.5	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	79%	0.792	S	S	*	*			trans	179.3	90.1	155.2	-94.9	-37.9	0	0	0	111.6
281	F	31.1	Very low	32.2	Very low	191 Å²	191	146 Å²	146	84%	0.838	79%	0.789	S	S	*	*			trans	-152.7	103.2	154.1	-152.3	-104.5	0	0	0	110.2	V283	F281-V283 HydrophobicContact CD1-CG2 3.81Å; F281-V283 HydrophobicContact CE1-CG2 3.5Å
282	Q	34.6	Very low	31.8	Very low	174 Å²	174	143.7 Å²	143.7	81%	0.813	79%	0.787	S	S	*	*			trans	-93	133.4	169.2	-73.3	-170.6	-19.2	0	0	109.4
283	V	33.5	Very low	31.9	Very low	116 Å²	116	143.3 Å²	143.3	70%	0.703	78%	0.784	S	S	*	*			trans	-120	116.7	161.1	179.6	0	0	0	0	106.7	F281	F281-V283 HydrophobicContact CD1-CG2 3.81Å; F281-V283 HydrophobicContact CE1-CG2 3.5Å
284	N	28.3	Very low	32	Very low	135 Å²	135	144 Å²	144	72%	0.722	78%	0.784	S	S	*	*			trans	-70.3	134.9	-174.4	-70.2	-37.8	0	0	0	111.6
285	L	24	Very low	31.5	Very low	171 Å²	171	141.7 Å²	141.7	90%	0.895	78%	0.782	S	S	*	*			trans	-80	138.7	146.5	-86.3	74.1	0	0	0	107.9
286	S	31.6	Very low	31.4	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	78%	0.784	S	S	*	*			trans	-134.6	112.4	165.8	57.4	0	0	0	0	109.1
287	E	25.6	Very low	31	Very low	198 Å²	198	138 Å²	138	93%	0.925	79%	0.785	S	S	*	*			trans	-65.1	147.2	169	-65.2	170.1	110.7	0	0	110.8
288	S	32.3	Very low	30.7	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	79%	0.792	S	S	*	*			trans	-148.9	109.7	157.4	52.9	0	0	0	0	110.3
289	A	28.2	Very low	30.4	Very low	95 Å²	95	137.2 Å²	137.2	79%	0.785	79%	0.79	S	S	*	*			trans	-79.5	144.2	174.8	0	0	0	0	0	111
290	I	33.4	Very low	30.3	Very low	166 Å²	166	142 Å²	142	85%	0.851	80%	0.8	S	S	*	*			trans	-138.3	124.5	166.1	-45.9	178.6	0	0	0	108
291	N	27.4	Very low	30	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	79%	0.794	S	S	*	*			trans	-101.1	156.5	-176.7	-71	-36.7	0	0	0	112
292	S	29	Very low	30.1	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	80%	0.797	S	S	*	*			trans	68.3	149.1	153.1	-64.3	0	0	0	0	117.8
293	S	33.7	Very low	29.7	Very low	93 Å²	93	138.8 Å²	138.8	65%	0.65	80%	0.802	S	S	*	*			cis	-159.7	180	-1.8	42.9	0	0	0	0	111.8
294	D	34.7	Very low	29.7	Very low	130 Å²	130	136.1 Å²	136.1	70%	0.695	80%	0.798	S	S	*	*			trans	89.2	101	150.1	-55.6	-43.7	0	0	0	122.3
295	T	29.2	Very low	29.9	Very low	125 Å²	125	136.4 Å²	136.4	77%	0.767	80%	0.8	S	S	*	*				40.2	133.9	126.9	65.8	0	0	0	0	120.2
296	S	32.3	Very low	30.2	Very low	120 Å²	120	137 Å²	137	84%	0.839	80%	0.795	S	S	*	*				-173.1	172.7	58.4	47.5	0	0	0	0	114.1
297	V	26.8	Very low	30.1	Very low	126 Å²	126	136.8 Å²	136.8	76%	0.764	79%	0.793	S	S	*	*			trans	-86.7	148.4	-168.3	170.6	0	0	0	0	113.6
298	V	29.6	Very low	30.4	Very low	143 Å²	143	132 Å²	132	87%	0.867	78%	0.782	S	S	*	*				-158.9	131.2	129.2	167.1	0	0	0	0	110.8
299	L	24.9	Very low	30.1	Very low	153 Å²	153	132.7 Å²	132.7	80%	0.801	78%	0.781	S	S	*	*			trans	-91.7	155.9	172.4	-71.5	160.7	0	0	0	112.2
300	K	30.1	Very low	30.2	Very low	205 Å²	205	137.2 Å²	137.2	89%	0.891	79%	0.785	S	S	*	*			trans	-154.1	111.9	149.8	-141.7	166	-171.2	171	0	113
301	P	30.3	Very low	29.9	Very low	111 Å²	111	135.2 Å²	135.2	72%	0.721	78%	0.781	S	S	*	*			trans	-88.8	164	170.5	36.2	-33.3	0	0	0	111.1
302	N	32.7	Very low	30.2	Very low	168 Å²	168	135.2 Å²	135.2	90%	0.898	79%	0.786	S	S	*	*			trans	-149.7	140.2	155.5	-132.3	-20.3	0	0	0	110.5
303	L	27	Very low	30.3	Very low	177 Å²	177	135 Å²	135	93%	0.927	78%	0.781	S	S	*	*			trans	-131.1	149	-170.3	-145.5	88.7	0	0	0	110.1
304	G	32.6	Very low	30.4	Very low	61 Å²	61	137.3 Å²	137.3	63%	0.629	79%	0.791	S	S	*	*			trans	133.7	142.1	170.7	0	0	0	0	0	112.5
305	N	33.2	Very low	30.4	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	80%	0.795	S	S	*	*			cis	-159.8	141.7	3.7	-113.7	17	0	0	0	109.9
306	F	29.2	Very low	30.3	Very low	183 Å²	183	138.4 Å²	138.4	80%	0.803	80%	0.801	S	S	*	*			trans	39	160.7	141.4	-65.4	-95.2	0	0	0	121.2
307	C	30.7	Very low	30.4	Very low	107 Å²	107	138.8 Å²	138.8	72%	0.723	80%	0.804	S	S	*	*			cis	-160.7	170.6	13.5	-130.3	0	0	0	0	107
308	S	32.3	Very low	30.5	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	81%	0.805	S	S	*	*			cis	-160.7	-179.8	-5.1	-157.8	0	0	0	0	109.2
309	V	24.4	Very low	30.8	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	80%	0.798	S	S	*	*			trans	-135.9	141.2	165.1	174.6	0	0	0	0	109.4
310	H	31.7	Very low	31.2	Very low	189 Å²	189	139 Å²	139	88%	0.875	80%	0.799	S	S	*	*			trans	-100.6	129.2	168.9	-98.1	-76.1	0	0	0	111.1
311	T	25.6	Very low	31.4	Very low	125 Å²	125	133 Å²	133	77%	0.767	79%	0.788	S	S	*	*			trans	-105.2	154.2	172.4	19.8	0	0	0	0	111.5
312	V	34.1	Very low	31.6	Very low	140 Å²	140	133 Å²	133	85%	0.848	79%	0.791	S	S	*	*			trans	-139.3	125.7	162.2	-172	0	0	0	0	108.9
313	P	32	Very low	31.7	Very low	114 Å²	114	130.4 Å²	130.4	74%	0.74	78%	0.781	S	S	*	*			trans	-116.4	149.4	176.3	38.2	-28.7	0	0	0	113.3
314	V	35.2	Very low	32.2	Very low	142 Å²	142	130.3 Å²	130.3	86%	0.861	78%	0.776	S	S	*	*			trans	-144.2	131.7	153.4	-175	0	0	0	0	112.4
315	S	33.6	Very low	32.4	Very low	110 Å²	110	132 Å²	132	77%	0.769	77%	0.774	S	S	*	*			trans	-31	153.7	171.6	-42.3	0	0	0	0	122.4
316	N	27.6	Very low	32.7	Very low	167 Å²	167	132.8 Å²	132.8	89%	0.893	77%	0.773	S	S	*	*			trans	-76.7	157.6	159.7	-71.7	-23.5	0	0	0	113.2
317	S	34.1	Very low	33.2	Very low	128 Å²	128	130.9 Å²	130.9	90%	0.895	77%	0.767	S	S	*	*			trans	-147.5	154.3	145.8	56.8	0	0	0	0	110.5
318	S	30.4	Very low	33.2	Very low	113 Å²	113	132.1 Å²	132.1	79%	0.79	77%	0.765	S	S	*	*			trans	-144.1	149.4	-175.3	179.1	0	0	0	0	109
319	L	35.5	Very low	33.3	Very low	137 Å²	137	137.3 Å²	137.3	72%	0.717	77%	0.771	S	S	*	*			trans	158	126.9	146.3	-85.9	153.1	0	0	0	111.5
320	E	33.5	Very low	33.7	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	77%	0.772	S	S	*	*			trans	54.7	156.5	139.4	-64.9	171.4	167.5	0	0	121.7
321	A	32.8	Very low	34	Very low	81 Å²	81	133.4 Å²	133.4	67%	0.669	76%	0.763	S	S	*	*			cis	-172.6	164	-27.8	0	0	0	0	0	108.4
322	S	35.4	Very low	34.4	Very low	110 Å²	110	135 Å²	135	77%	0.769	77%	0.767	S	S	*	*			trans	76.5	149.2	165.4	-44.3	0	0	0	0	118.5
323	T	35.1	Very low	34.1	Very low	113 Å²	113	134.2 Å²	134.2	69%	0.693	76%	0.763	S	S	*	*			cis	-171.5	168.1	-28.4	40.4	0	0	0	0	108
324	Q	37.7	Very low	34.3	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	77%	0.767	S	S	*	*			trans	80.5	143.6	160.9	-61.3	-172.7	30.2	0	0	117
325	T	36.4	Very low	34.4	Very low	95 Å²	95	133.4 Å²	133.4	58%	0.583	76%	0.76	S	S	*	*			cis	-173.1	138.6	-4.8	-99.8	0	0	0	0	110.9
326	E	39.5	Very low	34.4	Very low	157 Å²	157	136.9 Å²	136.9	73%	0.734	76%	0.764	S	S	*	*			trans	62.2	158.8	153.7	-63.6	179.3	137.3	0	0	121
327	Q	39.1	Very low	34.6	Very low	144 Å²	144	134.4 Å²	134.4	67%	0.673	76%	0.757	S	S	*	*			cis	-157.1	134.3	-15.4	-111.6	179.6	41.9	0	0	107.6
328	L	31.9	Very low	34.2	Very low	132 Å²	132	133.5 Å²	133.5	69%	0.691	75%	0.749	S	S	*	*				78.1	102.6	97.5	-157	87.3	0	0	0	117.2
329	Y	34.6	Very low	34.3	Very low	209 Å²	209	134.1 Å²	134.1	82%	0.82	75%	0.753	S	S	*	*				178	152.2	117.2	-118.5	-92.6	0	0	0	113
330	T	31.6	Very low	34.1	Very low	127 Å²	127	135.9 Å²	135.9	78%	0.779	76%	0.758	S	S	*	*			trans	-123.4	-162.3	-177.6	57.8	0	0	0	0	111.1
331	P	38.2	Very low	34	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	76%	0.761	S	S	*	*				-115.8	-178.7	-115.8	34.7	-14.3	0	0	0	114.3
332	N	33.7	Very low	33.9	Very low	159 Å²	159	138.2 Å²	138.2	85%	0.85	77%	0.769	S	S	*	*			trans	-173.4	153.3	133.6	-98.1	-23.1	0	0	0	115.9
333	T	28.4	Very low	33.9	Very low	124 Å²	124	142 Å²	142	76%	0.761	78%	0.775	S	S	*	*			trans	-66.1	148	177	33.9	0	0	0	0	115.9
334	V	36.7	Very low	33.5	Very low	139 Å²	139	143 Å²	143	84%	0.842	78%	0.781	S	S	*	*			trans	-160.9	120.8	135.7	169.9	0	0	0	0	111.5
335	S	35.9	Very low	33.4	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	78%	0.781	S	S	*	*			trans	25.2	121.7	144.6	-44.2	0	0	0	0	125.8
336	Q	34.4	Very low	33.1	Very low	183 Å²	183	147 Å²	147	86%	0.855	79%	0.792	S	S	*	*				50.3	159.6	128.8	-85.6	179.4	-42.2	0	0	123.7
337	P	32.2	Very low	32.6	Very low	115 Å²	115	147.6 Å²	147.6	75%	0.747	80%	0.8	S	S	*	*			cis	-131.7	-174.3	-14.9	37.6	-18.2	0	0	0	115.3
338	C	24.8	Very low	32.2	Very low	109 Å²	109	146 Å²	146	74%	0.736	80%	0.8	S	S	*	*			trans	-47.1	147.1	-173.6	-52	0	0	0	0	119.9
339	S	33.5	Very low	32	Very low	125 Å²	125	144.2 Å²	144.2	87%	0.874	80%	0.798	S	S	*	*				-161.4	148	128	-81.8	0	0	0	0	111.2
340	H	30.6	Very low	31.9	Very low	175 Å²	175	139.4 Å²	139.4	81%	0.81	79%	0.79	S	S	*	*			trans	-95.8	147.3	-163.6	-61.3	-107	0	0	0	114.3
341	T	31.5	Very low	31.8	Very low	145 Å²	145	139.1 Å²	139.1	89%	0.89	78%	0.784	S	S	*	*			trans	-136.6	131.7	148.6	-52.9	0	0	0	0	109
342	L	31.4	Very low	31.7	Very low	160 Å²	160	140.4 Å²	140.4	84%	0.838	79%	0.79	S	S	*	*			trans	-77.5	143.1	-171.6	-63.8	99.4	0	0	0	113.1
343	Q	34.5	Very low	31.7	Very low	191 Å²	191	137 Å²	137	89%	0.893	78%	0.778	S	S	*	*			trans	-119.9	128.8	152	-117.3	177	1.1	0	0	108.8	H345	Q343-H345 PolarHBondContact O-N 2.86Å
344	T	28	Very low	32.6	Very low	133 Å²	133	135.2 Å²	135.2	82%	0.816	77%	0.767	S	S	*	*			trans	-73.2	114.7	-173.9	48.3	0	0	0	0	111
345	H	35	Very low	33.2	Very low	181 Å²	181	131.1 Å²	131.1	84%	0.838	74%	0.74	S	S	*	*			trans	-120.9	133.6	158.7	-114	-89.4	0	0	0	109.9	Q343 L347	Q343-H345 PolarHBondContact O-N 2.86Å; H345-L347 PolarHBondContact O-N 3.3Å
346	E	30.2	Very low	34.2	Very low	173 Å²	173	129.5 Å²	129.5	81%	0.808	72%	0.722	S	S	*	*			trans	-58.1	114.5	-174.6	-168.7	173.9	-174.9	0	0	111.3	V348	E346-V348 VanDerWaalsContact C-N 3.28Å; E346-V348 PolarHBondContact O-N 2.98Å
347	L	28.9	Very low	35.2	Very low	170 Å²	170	123.2 Å²	123.2	89%	0.89	69%	0.694	S	S	*	*			trans	-74.9	81.2	177.6	-72.7	175.1	0	0	0	110.3	H345 S349	H345-L347 PolarHBondContact O-N 3.3Å; L347-S349 PolarHBondContact O-N 3.25Å
348	V	29.5	Very low	36.6	Very low	111 Å²	111	121 Å²	121	67%	0.673	68%	0.675	S	S	*	*			trans	-65.8	99.9	161.9	179.4	0	0	0	0	107.6	E346 V350	E346-V348 VanDerWaalsContact C-N 3.28Å; E346-V348 PolarHBondContact O-N 2.98Å; V348-V350 VanDerWaalsContact C-N 3.35Å; V348-V350 HydrophobicContact CG1-CG2 4.37Å; V348-V350 PolarHBondContact O-N 3.18Å
349	S	29	Very low	38.3	Very low	94 Å²	94	117.2 Å²	117.2	66%	0.657	65%	0.648	S	S	*	*			trans	-67.6	92.4	174	58.6	0	0	0	0	109.6	L347 N351	L347-S349 PolarHBondContact O-N 3.25Å; S349-N351 VanDerWaalsContact C-N 3.28Å; S349-N351 PolarHBondContact O-N 3.37Å
350	V	31.5	Very low	39.7	Very low	108 Å²	108	113.7 Å²	113.7	66%	0.655	62%	0.623	S	S	*	*			trans	-70.9	90.9	169.7	-173.2	0	0	0	0	107.6	V348 T352	V348-V350 VanDerWaalsContact C-N 3.35Å; V348-V350 HydrophobicContact CG1-CG2 4.37Å; V348-V350 PolarHBondContact O-N 3.18Å; V350-T352 PolarHBondContact O-N 3.38Å
351	N	30.6	Very low	41.2	Very low	122 Å²	122	106.1 Å²	106.1	65%	0.652	59%	0.59	S	S	*	*			trans	-62.1	96.3	173.9	-79.7	4.2	0	0	0	109.4	S349 C353	S349-N351 VanDerWaalsContact C-N 3.28Å; S349-N351 PolarHBondContact O-N 3.37Å; N351-C353 PolarHBondContact O-N 2.86Å
352	T	36	Very low	42.4	Very low	132 Å²	132	99.3 Å²	99.3	81%	0.81	55%	0.548	S	S	*	.			trans	-76.3	56.9	165.7	57.5	0	0	0	0	109.9	V350	V350-T352 PolarHBondContact O-N 3.38Å
353	C	32.5	Very low	43.9	Very low	87 Å²	87	93.7 Å²	93.7	59%	0.588	52%	0.518	S	S	*	.			trans	-112.9	98.9	162.4	60.2	0	0	0	0	107.2	N351 D355	N351-C353 PolarHBondContact O-N 2.86Å; C353-D355 PolarHBondContact O-N 2.81Å
354	T	48	Very low	45	Very low	86 Å²	86	85 Å²	85	53%	0.528	48%	0.481	S	S	.	.			trans	-62.5	114.4	162.4	44.4	0	0	0	0	107
355	D	49.5	Very low	46.6	Very low	54 Å²	54	78.8 Å²	78.8	29%	0.289	44%	0.442	S	S	.	.			trans	-69.7	148.8	170.1	-155.1	-15.8	0	0	0	108.7	K170 C353 D357 D358 I359	K170-D355 IonicContact NZ-OD1 2.75Å; K170-D355 PolarHBondContact NZ-OD1 3.42Å; C353-D355 PolarHBondContact O-N 2.81Å; D355-D357 PolarHBondContact O-N 3Å; D355-D358 WeakPolarHBondContact O-CA 3.29Å; D355-D358 WeakPolarHBondContact O-CB 3.49Å; D355-D358 PolarHBondContact O-N 2.86Å; D355-I359 PolarHBondContact O-N 3.36Å
356	E	57.1	Low	47.8	Very low	66 Å²	66	72.4 Å²	72.4	31%	0.308	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-23.5	174.6	-64.5	-56.6	138.9	0	0	110.8	K170 I359 S360 I617	K170-E356 HydrophobicContact CD-CB 4.4Å; E356-I359 PolarHBondContact O-N 3.22Å; E356-S360 WeakPolarHBondContact O-CB 3.39Å; E356-S360 PolarHBondContact O-N 3.29Å; E356-S360 PolarHBondContact O-OG 3.43Å; E356-I617 HydrophobicContact CG-CD1 4.35Å
357	D	55.7	Low	48.7	Very low	51 Å²	51	70.3 Å²	70.3	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-70.1	-30.9	171.1	-69.4	-27	0	0	0	111.9	S168 D355 S361	S168-D357 WeakPolarHBondContact CB-OD2 3.33Å; S168-D357 PolarHBondContact OG-OD2 2.96Å; D355-D357 PolarHBondContact O-N 3Å; D357-S361 VanDerWaalsContact O-CB 3.25Å; D357-S361 WeakPolarHBondContact O-CB 3.26Å; D357-S361 PolarHBondContact O-N 2.87Å; D357-S361 PolarHBondContact O-OG 3.08Å
358	D	60	Low	49.4	Very low	67 Å²	67	63.3 Å²	63.3	36%	0.358	37%	0.368	S	S	.	.	H	α-helix	trans	-73.1	-40.5	170.8	-75.3	-39.8	0	0	0	111.2	D355 S361 F362	D355-D358 WeakPolarHBondContact O-CA 3.29Å; D355-D358 WeakPolarHBondContact O-CB 3.49Å; D355-D358 PolarHBondContact O-N 2.86Å; D358-S361 CarbonylContact O-C 3.59Å; D358-S361 WeakPolarHBondContact O-CB 3.41Å; D358-S361 PolarHBondContact O-N 3.29Å; D358-F362 WeakPolarHBondContact O-CB 3.49Å; D358-F362 PolarHBondContact O-N 3.31Å
359	I	61.9	Low	50.2	Low	30 Å²	30	60 Å²	60	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-64.3	-44.9	175.2	-66.9	169.7	0	0	0	110.4	W116 D355 E356 S361 F362 I363	W116-I359 HydrophobicContact CH2-CG2 4.37Å; D355-I359 PolarHBondContact O-N 3.36Å; E356-I359 PolarHBondContact O-N 3.22Å; I359-S361 VanDerWaalsContact C-N 3.27Å; I359-S361 PolarHBondContact O-N 3.3Å; I359-F362 WeakPolarHBondContact O-CA 3.27Å; I359-F362 WeakPolarHBondContact O-CB 3.45Å; I359-F362 PolarHBondContact O-N 2.84Å; I359-I363 HydrophobicContact CG2-CD1 3.91Å; I359-I363 WeakPolarHBondContact O-CG1 3.33Å; I359-I363 PolarHBondContact O-N 3.4Å
360	S	61.9	Low	50.8	Low	51 Å²	51	60.1 Å²	60.1	36%	0.357	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-37.4	172.7	-61.8	0	0	0	0	111.6	Y148 E356 F362 G364	Y148-S360 PolarHBondContact OH-O 3.38Å; E356-S360 WeakPolarHBondContact O-CB 3.39Å; E356-S360 PolarHBondContact O-N 3.29Å; E356-S360 PolarHBondContact O-OG 3.43Å; S360-F362 VanDerWaalsContact C-N 3.33Å; S360-G364 WeakPolarHBondContact O-CA 3.33Å; S360-G364 PolarHBondContact O-N 3.28Å
361	S	62.3	Low	51.2	Low	17 Å²	17	59 Å²	59	12%	0.119	36%	0.355	C	S	.	.	H	α-helix	trans	-69.6	-28	173.2	-60.4	0	0	0	0	113.8	Y148 D357 D358 I359 G365	Y148-S361 VanDerWaalsContact CD1-CA 3.48Å; Y148-S361 WeakPolarHBondContact CE1-OG 3.43Å; D357-S361 VanDerWaalsContact O-CB 3.25Å; D357-S361 WeakPolarHBondContact O-CB 3.26Å; D357-S361 PolarHBondContact O-N 2.87Å; D357-S361 PolarHBondContact O-OG 3.08Å; D358-S361 CarbonylContact O-C 3.59Å; D358-S361 WeakPolarHBondContact O-CB 3.41Å; D358-S361 PolarHBondContact O-N 3.29Å; I359-S361 VanDerWaalsContact C-N 3.27Å; I359-S361 PolarHBondContact O-N 3.3Å; S361-G365 WeakPolarHBondContact O-CA 3.49Å; S361-G365 PolarHBondContact O-N 3.22Å
362	F	57.7	Low	51.8	Low	1 Å²	1	57 Å²	57	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-75.6	-50.7	175.4	-163.9	-84	0	0	0	112.5	W116 Q120 H124 Y145 D358 I359 S360 G364 G365 L366	W116-F362 HydrophobicContact CD2-CE1 4.18Å; W116-F362 AromaticContact CE2-CD1 3.68Å; W116-F362 AromaticContact CE2-CE1 3.56Å; W116-F362 AromaticContact CH2-CD1 3.95Å; W116-F362 HydrophobicContact CH2-CD1 3.95Å; W116-F362 HydrophobicContact CH2-CE1 4.43Å; W116-F362 AromaticContact CZ2-CD1 3.34Å; W116-F362 HydrophobicContact CZ2-CD1 3.34Å; W116-F362 AromaticContact CZ2-CE1 3.74Å; W116-F362 HydrophobicContact CZ2-CE1 3.74Å; W116-F362 HydrophobicContact CZ2-CG 4.41Å; W116-F362 AromaticContact NE1-CD1 3.99Å; W116-F362 AromaticContact NE1-CE1 3.61Å; Q120-F362 HydrophobicContact CB-CD1 4.38Å; Q120-F362 HydrophobicContact CB-CD2 3.97Å; Q120-F362 HydrophobicContact CB-CE1 3.91Å; Q120-F362 HydrophobicContact CB-CE2 3.55Å; Q120-F362 HydrophobicContact CB-CG 4.42Å; Q120-F362 HydrophobicContact CB-CZ 3.51Å; Q120-F362 HydrophobicContact CG-CD1 4.41Å; Q120-F362 HydrophobicContact CG-CD2 3.55Å; Q120-F362 HydrophobicContact CG-CE1 4.4Å; Q120-F362 HydrophobicContact CG-CE2 3.65Å; Q120-F362 HydrophobicContact CG-CG 4.02Å; Q120-F362 HydrophobicContact CG-CZ 4.08Å; H124-F362 AromaticContact CD2-CD2 3.93Å; H124-F362 AromaticContact NE2-CD2 3.49Å; H124-F362 WeakPolarHBondContact NE2-CD2 3.37Å; Y145-F362 VanDerWaalsContact CE1-CA 3.45Å; Y145-F362 HydrophobicContact CE1-CB 3.92Å; Y145-F362 AromaticContact CE1-CD2 3.48Å; Y145-F362 HydrophobicContact CE1-CD2 3.48Å; Y145-F362 VanDerWaalsContact CE1-CD2 3.48Å; Y145-F362 HydrophobicContact CE1-CE2 4.21Å; Y145-F362 AromaticContact CE1-CG 3.99Å; Y145-F362 HydrophobicContact CE1-CG 3.99Å; Y145-F362 HydrophobicContact CE2-CD2 4.42Å; Y145-F362 HydrophobicContact CE2-CE2 4.37Å; Y145-F362 AromaticContact CZ-CD2 3.3Å; Y145-F362 AromaticContact CZ-CE2 3.59Å; Y145-F362 AromaticContact CZ-CG 3.92Å; Y145-F362 WeakPolarHBondContact OH-CD2 3.13Å; Y145-F362 WeakPolarHBondContact OH-CE2 3.44Å; Y145-F362 WeakPolarHBondContact OH-CG 3.45Å; Y145-F362 WeakPolarHBondContact OH-CZ 3.33Å; D358-F362 WeakPolarHBondContact O-CB 3.49Å; D358-F362 PolarHBondContact O-N 3.31Å; I359-F362 WeakPolarHBondContact O-CA 3.27Å; I359-F362 WeakPolarHBondContact O-CB 3.45Å; I359-F362 PolarHBondContact O-N 2.84Å; S360-F362 VanDerWaalsContact C-N 3.33Å; F362-G364 VanDerWaalsContact C-N 3.34Å; F362-G364 PolarHBondContact O-N 3.18Å; F362-G365 PolarHBondContact O-N 2.83Å; F362-L366 HydrophobicContact CD1-CD1 3.69Å; F362-L366 HydrophobicContact CD1-CG 4.33Å; F362-L366 HydrophobicContact CE1-CD1 3.54Å; F362-L366 HydrophobicContact CE1-CG 4.21Å; F362-L366 HydrophobicContact CZ-CD1 4.5Å; F362-L366 WeakPolarHBondContact O-CB 3.1Å; F362-L366 VanDerWaalsContact O-CG 3.28Å; F362-L366 WeakPolarHBondContact O-CG 3.36Å; F362-L366 PolarHBondContact O-N 2.8Å
363	I	61.3	Low	51.9	Low	42 Å²	42	57.4 Å²	57.4	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-57.2	-50.8	171.4	-67.7	172.3	0	0	0	109.4	W116 I359 G365 L366 F367 W624	W116-I363 HydrophobicContact CZ2-CG1 3.99Å; I359-I363 HydrophobicContact CG2-CD1 3.91Å; I359-I363 WeakPolarHBondContact O-CG1 3.33Å; I359-I363 PolarHBondContact O-N 3.4Å; I363-G365 PolarHBondContact O-N 2.71Å; I363-L366 PolarHBondContact O-N 3.17Å; I363-F367 HydrophobicContact CG2-CD2 3.86Å; I363-F367 HydrophobicContact CG2-CE2 3.91Å; I363-F367 WeakPolarHBondContact O-CD2 3.43Å; I363-F367 PolarHBondContact O-N 2.93Å; I363-F367 VanDerWaalsContact O-N 3.08Å; I363-W624 HydrophobicContact CG2-CZ3 4.32Å
364	G	58.8	Low	52.2	Low	10 Å²	10	57.6 Å²	57.6	10%	0.103	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-42.9	177.9	0	0	0	0	0	114.2	Y148 S360 F362 C368	Y148-G364 VanDerWaalsContact CD2-CA 3.43Å; Y148-G364 VanDerWaalsContact CE2-CA 3.46Å; S360-G364 WeakPolarHBondContact O-CA 3.33Å; S360-G364 PolarHBondContact O-N 3.28Å; F362-G364 VanDerWaalsContact C-N 3.34Å; F362-G364 PolarHBondContact O-N 3.18Å; G364-C368 VanDerWaalsContact O-CB 3.3Å; G364-C368 WeakPolarHBondContact O-CB 3.13Å; G364-C368 PolarHBondContact O-N 3.3Å; G364-C368 PolarHBondContact O-SG 3.42Å
365	G	61	Low	51.6	Low	1 Å²	1	60.1 Å²	60.1	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-38.6	175.4	0	0	0	0	0	112.9	S144 S361 F362 I363 N369	S144-G365 WeakPolarHBondContact CB-O 3.4Å; S361-G365 WeakPolarHBondContact O-CA 3.49Å; S361-G365 PolarHBondContact O-N 3.22Å; F362-G365 PolarHBondContact O-N 2.83Å; I363-G365 PolarHBondContact O-N 2.71Å; G365-N369 PolarHBondContact O-ND2 3.04Å
366	L	60.9	Low	50.7	Low	48 Å²	48	65 Å²	65	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-48.3	175.4	-76.1	169.8	0	0	0	112.1	F362 I363 N369	F362-L366 HydrophobicContact CD1-CD1 3.69Å; F362-L366 HydrophobicContact CD1-CG 4.33Å; F362-L366 HydrophobicContact CE1-CD1 3.54Å; F362-L366 HydrophobicContact CE1-CG 4.21Å; F362-L366 HydrophobicContact CZ-CD1 4.5Å; F362-L366 WeakPolarHBondContact O-CB 3.1Å; F362-L366 VanDerWaalsContact O-CG 3.28Å; F362-L366 WeakPolarHBondContact O-CG 3.36Å; F362-L366 PolarHBondContact O-N 2.8Å; I363-L366 PolarHBondContact O-N 3.17Å; L366-N369 PolarHBondContact O-ND2 3.01Å
367	F	49.1	Very low	49.6	Very low	128 Å²	128	67.5 Å²	67.5	56%	0.561	41%	0.405	S	S	*	.	H	α-helix	trans	-83.1	-22.1	-173.9	-67.1	-65.1	0	0	0	114.4	I363 N369 W624	I363-F367 HydrophobicContact CG2-CD2 3.86Å; I363-F367 HydrophobicContact CG2-CE2 3.91Å; I363-F367 WeakPolarHBondContact O-CD2 3.43Å; I363-F367 PolarHBondContact O-N 2.93Å; I363-F367 VanDerWaalsContact O-N 3.08Å; F367-N369 PolarHBondContact O-N 2.64Å; F367-W624 HydrophobicContact CD2-CH2 4.2Å; F367-W624 HydrophobicContact CD2-CZ3 4.33Å
368	C	44.1	Very low	48.3	Very low	23 Å²	23	74.1 Å²	74.1	16%	0.155	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-61.9	-21.3	174.7	-80.1	0	0	0	0	114	K151 G364 A370 A371 V372	K151-C368 PolarHBondContact NZ-SG 3.03Å; K151-C368 VanDerWaalsContact NZ-SG 3.36Å; G364-C368 VanDerWaalsContact O-CB 3.3Å; G364-C368 WeakPolarHBondContact O-CB 3.13Å; G364-C368 PolarHBondContact O-N 3.3Å; G364-C368 PolarHBondContact O-SG 3.42Å; C368-A370 VanDerWaalsContact C-N 3.26Å; C368-A370 PolarHBondContact O-N 3.08Å; C368-A371 PolarHBondContact O-N 3.41Å; C368-V372 WeakPolarHBondContact O-CG2 3.42Å
369	N	44.4	Very low	46.9	Very low	41 Å²	41	75.9 Å²	75.9	22%	0.219	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-62.7	-29.1	-174.6	-64.9	-52.3	0	0	0	113.7	S144 G365 L366 F367 A371	S144-N369 WeakPolarHBondContact CB-OD1 3.4Å; S144-N369 PolarHBondContact OG-OD1 3.13Å; G365-N369 PolarHBondContact O-ND2 3.04Å; L366-N369 PolarHBondContact O-ND2 3.01Å; F367-N369 PolarHBondContact O-N 2.64Å; N369-A371 PolarHBondContact O-N 2.95Å; N369-A371 VanDerWaalsContact O-N 3.1Å
370	A	41.8	Very low	45.2	Very low	98 Å²	98	80 Å²	80	81%	0.81	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-67	-9.9	179.5	0	0	0	0	0	114.4	C368	C368-A370 VanDerWaalsContact C-N 3.26Å; C368-A370 PolarHBondContact O-N 3.08Å
371	A	40.1	Very low	43.8	Very low	84 Å²	84	83.8 Å²	83.8	69%	0.694	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-121.4	-0.9	-173.6	0	0	0	0	0	114.9	C368 N369	C368-A371 PolarHBondContact O-N 3.41Å; N369-A371 PolarHBondContact O-N 2.95Å; N369-A371 VanDerWaalsContact O-N 3.1Å
372	V	44.3	Very low	42.3	Very low	79 Å²	79	89.1 Å²	89.1	48%	0.479	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-19.5	-168.1	169.4	0	0	0	0	114.1	C368 A374	C368-V372 WeakPolarHBondContact O-CG2 3.42Å; V372-A374 PolarHBondContact O-N 3.14Å
373	E	38.2	Very low	41.1	Very low	142 Å²	142	95.1 Å²	95.1	66%	0.664	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	7.4	-173.1	-64.4	-167.6	166.3	0	0	116.2	P47	P47-E373 VanDerWaalsContact CB-CD 3.49Å; P47-E373 WeakPolarHBondContact CB-OE2 3.45Å; P47-E373 WeakPolarHBondContact CD-OE1 3.39Å; P47-E373 WeakPolarHBondContact CG-OE1 3.32Å; P47-E373 WeakPolarHBondContact CG-OE2 3.35Å
374	A	38.4	Very low	39.4	Very low	90 Å²	90	99 Å²	99	74%	0.744	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	1	179.7	0	0	0	0	0	115	V372	V372-A374 PolarHBondContact O-N 3.14Å
375	N	34.3	Very low	38.3	Very low	139 Å²	139	105 Å²	105	74%	0.743	63%	0.627	S	S	*	*			trans	-114.5	96.6	-175.6	-70.6	-81.3	0	0	0	112.5
376	L	32.5	Very low	37	Very low	156 Å²	156	114.2 Å²	114.2	82%	0.817	66%	0.664	S	S	*	*			trans	-55.9	155.7	162.4	-113.6	69	0	0	0	110.9	Q378	L376-Q378 PolarHBondContact O-N 3.31Å
377	P	32.8	Very low	35.5	Very low	120 Å²	120	120.6 Å²	120.6	78%	0.779	69%	0.692	S	S	*	*			trans	-66.7	127.8	-177.4	28.6	-32.8	0	0	0	110.6	S379	P377-S379 PolarHBondContact O-N 3.17Å
378	Q	29.3	Very low	34.8	Very low	190 Å²	190	121 Å²	121	89%	0.888	71%	0.705	S	S	*	*			trans	-68.6	99.3	172.8	-70.3	-176.2	-10.2	0	0	109.6	L376 S380	L376-Q378 PolarHBondContact O-N 3.31Å; Q378-S380 PolarHBondContact O-N 3.4Å
379	S	29.3	Very low	34	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	73%	0.733	S	S	*	*			trans	-66.8	114.2	168.8	56.2	0	0	0	0	109.5	P377 T381	P377-S379 PolarHBondContact O-N 3.17Å; S379-T381 PolarHBondContact O-N 2.86Å
380	S	26.5	Very low	33.6	Very low	116 Å²	116	135.7 Å²	135.7	81%	0.811	76%	0.761	S	S	*	*			trans	-70.5	105.4	178.4	55.4	0	0	0	0	111.7	Q378	Q378-S380 PolarHBondContact O-N 3.4Å
381	T	33.1	Very low	33	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	75%	0.753	S	S	*	*			trans	-129	107.1	159.6	46.2	0	0	0	0	109.7	S379	S379-T381 PolarHBondContact O-N 2.86Å
382	V	30.4	Very low	32.7	Very low	129 Å²	129	144.6 Å²	144.6	78%	0.782	76%	0.761	S	S	*	*			trans	-71.7	126.7	170.6	175.4	0	0	0	0	108.8
383	C	31.5	Very low	32.2	Very low	127 Å²	127	149.8 Å²	149.8	86%	0.858	78%	0.778	S	S	*	*			trans	-157.3	108.7	155.3	-100.2	0	0	0	0	108.2
384	D	27.2	Very low	31.9	Very low	124 Å²	124	150 Å²	150	66%	0.663	78%	0.782	S	S	*	*			trans	-65.2	150.7	170.4	-57.2	-69.1	0	0	0	110.9
385	N	35.6	Very low	31.5	Very low	135 Å²	135	149.8 Å²	149.8	72%	0.722	78%	0.776	S	S	*	*				170.1	103.6	129.6	-81.6	-29.3	0	0	0	112.5
386	Y	33.6	Very low	31.3	Very low	196 Å²	196	152.1 Å²	152.1	77%	0.769	78%	0.775	S	S	*	*			trans	43	124.8	140.3	-44.5	-67.6	0	0	0	122.7
387	E	29.2	Very low	31.3	Very low	182 Å²	182	152.2 Å²	152.2	85%	0.85	77%	0.772	S	S	*	*			trans	2	140.4	148.8	-59.1	179.8	113	0	0	119
388	V	33.5	Very low	31.1	Very low	136 Å²	136	152.1 Å²	152.1	82%	0.824	77%	0.769	S	S	*	*				-157.5	144.6	73.3	153	0	0	0	0	112.6
389	R	27.3	Very low	31.6	Very low	202 Å²	202	151.6 Å²	151.6	76%	0.762	76%	0.764	S	S	*	*			trans	-80.1	128.1	175.5	178.5	-175.6	-170.1	149.1	0.9	111.8	E391	R389-E391 IonicContact CZ-OE1 3.06Å; R389-E391 VanDerWaalsContact CZ-OE1 3.3Å; R389-E391 IonicContact NE-OE1 2.71Å; R389-E391 PolarHBondContact NE-OE1 3.06Å; R389-E391 IonicContact NH2-OE1 3.3Å; R389-E391 PolarHBondContact NH2-OE1 3.39Å
390	Q	36	Very low	31.9	Very low	171 Å²	171	154.5 Å²	154.5	80%	0.799	77%	0.766	S	S	*	*			trans	-148.6	120	150.1	-127.4	172.2	45.7	0	0	112.9
391	E	29.1	Very low	32.2	Very low	136 Å²	136	156 Å²	156	64%	0.636	76%	0.763	S	S	*	*			trans	-80.6	139.8	176.3	-65	163.5	-148.4	0	0	110.1	R389	R389-E391 IonicContact CZ-OE1 3.06Å; R389-E391 VanDerWaalsContact CZ-OE1 3.3Å; R389-E391 IonicContact NE-OE1 2.71Å; R389-E391 PolarHBondContact NE-OE1 3.06Å; R389-E391 IonicContact NH2-OE1 3.3Å; R389-E391 PolarHBondContact NH2-OE1 3.39Å
392	R	35.5	Very low	32.2	Very low	232 Å²	232	155.3 Å²	155.3	88%	0.875	76%	0.759	S	S	*	*			trans	-152.4	118.8	153.6	-123.5	-180	-71.6	175.6	-0.9	111.2
393	K	33.8	Very low	32.3	Very low	188 Å²	188	157.3 Å²	157.3	82%	0.817	77%	0.765	S	S	*	*			trans	-86.6	156.9	174.4	-70.5	178.8	175.3	177	0	110.8
394	L	30	Very low	32.4	Very low	146 Å²	146	154.7 Å²	154.7	76%	0.764	76%	0.759	S	S	*	*			trans	59.3	137	162.1	-88.9	67.3	0	0	0	115.3
395	S	31	Very low	32.9	Very low	87 Å²	87	154.4 Å²	154.4	61%	0.608	76%	0.764	S	S	*	*			cis	-160.2	158.6	37.1	-172.2	0	0	0	0	111.3
396	Y	29.2	Very low	32.9	Very low	187 Å²	187	155.1 Å²	155.1	73%	0.733	77%	0.767	S	S	*	*			trans	-62.5	140.5	164.8	34.5	-89.7	0	0	0	112
397	E	34.3	Very low	32.8	Very low	158 Å²	158	151.4 Å²	151.4	74%	0.738	76%	0.761	S	S	*	*			trans	-153.9	133.4	138.6	-150.1	-175.3	137.9	0	0	110.8	K399	E397-K399 IonicContact OE1-NZ 3.03Å; E397-K399 PolarHBondContact OE1-NZ 2.92Å
398	T	28.4	Very low	32.9	Very low	119 Å²	119	149.9 Å²	149.9	73%	0.73	75%	0.753	S	S	*	*			trans	-92.6	136.3	177.5	-59.4	0	0	0	0	110.3
399	K	39.5	Very low	33.2	Very low	178 Å²	178	151.3 Å²	151.3	77%	0.774	75%	0.751	S	S	*	*			trans	-145	128.3	152.7	-104.9	135.7	-170.6	159.4	0	111.5	E397	E397-K399 IonicContact OE1-NZ 3.03Å; E397-K399 PolarHBondContact OE1-NZ 2.92Å
400	Q	34.4	Very low	33.6	Very low	165 Å²	165	149.4 Å²	149.4	77%	0.771	75%	0.75	S	S	*	*			trans	-78.6	171.8	177.7	-62	162.5	-13.1	0	0	110.9
401	I	33.3	Very low	33.3	Very low	147 Å²	147	146 Å²	146	75%	0.754	75%	0.746	S	S	*	*				154.4	121.7	122.3	-82.1	165.8	0	0	0	113.3
402	T	33.6	Very low	33.6	Very low	116 Å²	116	145 Å²	145	71%	0.712	75%	0.753	S	S	*	*			trans	61.9	114.5	148	-60.6	0	0	0	0	119.8
403	L	31.7	Very low	33.5	Very low	171 Å²	171	139.5 Å²	139.5	90%	0.895	75%	0.75	S	S	*	*				73	118.8	60.3	-74.5	169.6	0	0	0	116.2
404	G	33.5	Very low	33.7	Very low	72 Å²	72	138 Å²	138	74%	0.742	75%	0.75	S	S	*	*			trans	173.9	139.2	164.6	0	0	0	0	0	113.3
405	P	38.4	Very low	34	Very low	118 Å²	118	140.4 Å²	140.4	77%	0.766	75%	0.754	S	S	*	*			trans	-136.7	-165.4	-143.5	34.8	-11.3	0	0	0	117
406	L	34.7	Very low	34.6	Very low	150 Å²	150	141.5 Å²	141.5	79%	0.785	76%	0.759	S	S	*	*			trans	78.8	148.3	163.4	-57.4	167.7	0	0	0	117.5
407	N	32.9	Very low	35.2	Very low	119 Å²	119	137.1 Å²	137.1	64%	0.636	76%	0.762	S	S	*	*			cis	-169	145.9	-24	-121.5	32	0	0	0	107
408	E	30.8	Very low	35.4	Very low	149 Å²	149	138.6 Å²	138.6	70%	0.696	77%	0.766	S	S	*	*			trans	46.5	130.4	140	-59.2	-179.4	134	0	0	122.9
409	H	39.2	Very low	35.8	Very low	167 Å²	167	140.2 Å²	140.2	77%	0.773	77%	0.77	S	S	*	*				174.3	124.9	111.8	-96.3	-77.3	0	0	0	114.1
410	H	35.7	Very low	35.5	Very low	161 Å²	161	136.7 Å²	136.7	75%	0.745	77%	0.768	S	S	*	*			trans	49.4	107.5	140.3	-77.3	-112.8	0	0	0	124.4
411	S	31.4	Very low	35.6	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	77%	0.765	S	S	*	*				48.6	116.8	108.7	-54.7	0	0	0	0	123.3
412	S	34.5	Very low	35.7	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	77%	0.766	S	S	*	*				130.7	145.4	106.9	71.2	0	0	0	0	119.6
413	S	33.4	Very low	35.6	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	77%	0.766	S	S	*	*			trans	72.1	144.9	158.7	-124.6	0	0	0	0	117
414	I	37.6	Very low	35.6	Very low	158 Å²	158	130.6 Å²	130.6	81%	0.81	75%	0.752	S	S	*	*			cis	-145.3	158.4	30.3	-66.2	174.5	0	0	0	111.2
415	K	35.8	Very low	35.4	Very low	195 Å²	195	133.4 Å²	133.4	85%	0.848	75%	0.75	S	S	*	*			trans	-100.6	-144.2	176.8	-50.7	178	175.9	176.7	0	111.4
416	P	45.2	Very low	34.9	Very low	111 Å²	111	137.3 Å²	137.3	72%	0.721	75%	0.751	S	S	*	*			cis	-136.6	173.1	-33.7	35.7	-17.4	0	0	0	115.7
417	A	40.9	Very low	34.8	Very low	95 Å²	95	135.8 Å²	135.8	79%	0.785	75%	0.748	S	S	*	*			trans	170.9	120.9	132.9	0	0	0	0	0	109.1
418	K	37.8	Very low	34.6	Very low	189 Å²	189	134 Å²	134	82%	0.822	75%	0.745	S	S	*	*				80.6	104.8	51.4	-79.4	-164.8	174.2	-175.5	0	115.6
419	N	37.7	Very low	34.4	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	75%	0.752	S	S	*	*				-171.2	120.1	111.2	-82.6	-20.9	0	0	0	107.5
420	S	32.2	Very low	34	Very low	104 Å²	104	132.7 Å²	132.7	73%	0.727	75%	0.752	S	S	*	*				70.4	115.6	63.4	-163.6	0	0	0	0	111.1
421	V	37.1	Very low	33.6	Very low	119 Å²	119	128.6 Å²	128.6	72%	0.721	75%	0.754	S	S	*	*				168	144.1	99.6	152	0	0	0	0	105.3
422	Q	35.8	Very low	33.6	Very low	164 Å²	164	130.5 Å²	130.5	77%	0.766	77%	0.765	S	S	*	*			cis	-157.4	147.7	-7.4	-114.7	175.3	-30.3	0	0	107.5
423	S	31.2	Very low	33.6	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	76%	0.761	S	S	*	*				69.6	140	108.4	-141.9	0	0	0	0	114.2
424	S	31.9	Very low	33.6	Very low	87 Å²	87	132 Å²	132	61%	0.608	76%	0.763	S	S	*	*			cis	167	167.1	6.6	35.2	0	0	0	0	105.7
425	N	29.4	Very low	33.5	Very low	130 Å²	130	129.6 Å²	129.6	70%	0.695	76%	0.76	S	S	*	*			cis	-175	149.3	-10.8	-100.3	-11.8	0	0	0	105.4
426	Y	27.1	Very low	33.4	Very low	201 Å²	201	126.1 Å²	126.1	79%	0.788	76%	0.755	S	S	*	*			trans	59.5	137.5	150.1	-71.4	-126	0	0	0	117.1
427	T	33.1	Very low	33	Very low	118 Å²	118	129 Å²	129	72%	0.724	76%	0.761	S	S	*	*			cis	-159.7	124.4	48	-54.4	0	0	0	0	110.4
428	S	28.1	Very low	32.9	Very low	82 Å²	82	132.3 Å²	132.3	57%	0.573	77%	0.766	S	S	*	*			trans	12.5	144.8	132.5	-39.1	0	0	0	0	121.9
429	L	28.4	Very low	32.9	Very low	160 Å²	160	131.5 Å²	131.5	84%	0.838	77%	0.765	S	S	*	*			trans	70.9	139.9	155.8	-57.6	149	0	0	0	114.1
430	T	29.2	Very low	33	Very low	128 Å²	128	131.6 Å²	131.6	79%	0.785	76%	0.76	S	S	*	*			cis	-164.1	151.4	14.7	5.5	0	0	0	0	110.1
431	G	27.8	Very low	33.6	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	76%	0.76	S	S	*	*			trans	74.6	106.2	148.3	0	0	0	0	0	118.7
432	C	31.3	Very low	33.8	Very low	141 Å²	141	135.4 Å²	135.4	95%	0.953	76%	0.762	S	S	*	*			trans	-147.5	119.7	151.5	-93	0	0	0	0	109.1
433	S	34.8	Very low	34.3	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	75%	0.754	S	S	*	*			trans	-139.7	126.2	172.8	53.2	0	0	0	0	109.1
434	N	33.4	Very low	34.9	Very low	160 Å²	160	136.5 Å²	136.5	86%	0.856	76%	0.759	S	S	*	*			trans	69.2	150.1	167.5	-46.1	-19.7	0	0	0	113.8
435	S	34.7	Very low	35.4	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	77%	0.766	S	S	*	*			cis	-160.4	160.9	-3.6	32.9	0	0	0	0	105.8
436	V	34.5	Very low	35.9	Very low	123 Å²	123	140 Å²	140	75%	0.745	77%	0.769	S	S	*	*	S	Bend		175.1	123.7	80.7	163.7	0	0	0	0	106.8
437	M	36.2	Very low	36.3	Very low	172 Å²	172	135.5 Å²	135.5	85%	0.847	77%	0.765	S	S	*	*	S	Bend	trans	175.9	-14	142.7	-104.3	-170.8	-78.8	0	0	114.3	Q439	M437-Q439 VanDerWaalsContact C-N 3.32Å; M437-Q439 PolarHBondContact O-N 3.48Å; M437-Q439 VanDerWaalsContact O-N 3.09Å
438	D	38.7	Very low	36.4	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	51	180	-74.2	-55.9	0	0	0	114.7
439	Q	37.5	Very low	37	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	-14.2	176.2	-76.1	-172.3	-31.6	0	0	115.9	M437	M437-Q439 VanDerWaalsContact C-N 3.32Å; M437-Q439 PolarHBondContact O-N 3.48Å; M437-Q439 VanDerWaalsContact O-N 3.09Å
440	E	39.7	Very low	37.4	Very low	156 Å²	156	144.5 Å²	144.5	73%	0.729	78%	0.779	S	S	*	*	S	Bend	trans	-92.7	-20.9	-174.3	-163	157.2	-172.6	0	0	114.4
441	I	44.8	Very low	37.7	Very low	141 Å²	141	143.7 Å²	143.7	72%	0.723	77%	0.77	S	S	*	*	S	Bend	trans	-90.5	-31.8	179.7	-63.8	173	0	0	0	111.7	A443	I441-A443 VanDerWaalsContact C-N 3.28Å; I441-A443 PolarHBondContact O-N 3.31Å
442	Q	42.5	Very low	38.2	Very low	161 Å²	161	145 Å²	145	75%	0.752	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-15.6	177.9	-128.1	71.3	0.3	0	0	113.7
443	A	45.4	Very low	38.6	Very low	74 Å²	74	142.5 Å²	142.5	61%	0.612	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-3.9	-174	0	0	0	0	0	115	I441	I441-A443 VanDerWaalsContact C-N 3.28Å; I441-A443 PolarHBondContact O-N 3.31Å
444	R	44	Very low	38.8	Very low	215 Å²	215	145.3 Å²	145.3	81%	0.811	77%	0.767	S	S	*	*	S	Bend	trans	-107	9.9	-179.2	-69.5	-154.8	174.5	-156.4	-0.2	115.4
445	L	42.8	Very low	39	Very low	143 Å²	143	145.9 Å²	145.9	75%	0.749	77%	0.765	S	S	*	*	S	Bend	trans	-116.8	3	-174.4	-71.6	172	0	0	0	115.4
446	L	39.5	Very low	39.1	Very low	146 Å²	146	146.1 Å²	146.1	76%	0.764	76%	0.762	S	S	*	*			trans	-142.3	125.8	169.7	-64.2	171	0	0	0	106.8
447	P	36	Very low	39.2	Very low	107 Å²	107	146.8 Å²	146.8	70%	0.695	76%	0.762	S	S	*	*			cis	-131.6	121.3	36.6	34.6	-15.8	0	0	0	115.3
448	L	35.8	Very low	39.4	Very low	153 Å²	153	144.6 Å²	144.6	80%	0.801	76%	0.758	S	S	*	*			trans	-132.8	57	156.8	-79.2	177.6	0	0	0	109.8
449	R	39.5	Very low	39.4	Very low	231 Å²	231	145 Å²	145	87%	0.872	76%	0.756	S	S	*	*	S	Bend	trans	-112.7	0.6	173.2	-156.8	172.4	-178.9	174.8	1.3	113.7
450	E	38.3	Very low	39.5	Very low	165 Å²	165	144.9 Å²	144.9	77%	0.771	76%	0.756	S	S	*	*	S	Bend	trans	-117	-10	-172.3	-67.8	176.7	146.4	0	0	114.3
451	N	35.3	Very low	39.6	Very low	111 Å²	111	144.6 Å²	144.6	59%	0.594	76%	0.759	S	S	*	*			trans	-92.5	8.5	-177.4	-68	-6.9	0	0	0	114.7	A453	N451-A453 PolarHBondContact O-N 3.27Å
452	A	38.5	Very low	39.2	Very low	104 Å²	104	145.9 Å²	145.9	86%	0.86	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	6.6	-178.9	0	0	0	0	0	114.4
453	A	37.7	Very low	38.8	Very low	87 Å²	87	146.3 Å²	146.3	72%	0.719	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	12.5	-172.2	0	0	0	0	0	114.8	N451	N451-A453 PolarHBondContact O-N 3.27Å
454	M	40	Very low	38.3	Very low	159 Å²	159	147.1 Å²	147.1	78%	0.783	78%	0.781	S	S	*	*	S	Bend	trans	-127.4	15.1	-177.7	-73.4	-172	70.7	0	0	114.9
455	Q	36.9	Very low	37.9	Very low	172 Å²	172	145.9 Å²	145.9	80%	0.804	78%	0.784	S	S	*	*			trans	-112	20.8	-177.2	-75	-165.3	-21.4	0	0	115.2
456	T	37.7	Very low	37.6	Very low	114 Å²	114	147.5 Å²	147.5	70%	0.699	79%	0.792	S	S	*	*	S	Bend	trans	-94	-16.5	172.7	49.4	0	0	0	0	114.5
457	D	36.4	Very low	37.3	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	79%	0.789	S	S	*	*	S	Bend	trans	-105.4	13.1	-169.4	-68.6	3.8	0	0	0	114.7
458	V	41.1	Very low	37.4	Very low	126 Å²	126	145.8 Å²	145.8	76%	0.764	79%	0.794	S	S	*	*	S	Bend	trans	-126	25.7	-175.1	-159.6	0	0	0	0	112.4
459	M	38.1	Very low	37.4	Very low	173 Å²	173	145.9 Å²	145.9	85%	0.852	80%	0.796	S	S	*	*	S	Bend	trans	-132.5	10.8	179.9	-148.6	158.4	-67.6	0	0	115.4
460	E	39.6	Very low	36.9	Very low	167 Å²	167	145 Å²	145	78%	0.78	79%	0.794	S	S	*	*	S	Bend	trans	-108.9	-18.7	175.4	-72.8	-169.8	130.6	0	0	114.8	L462	E460-L462 PolarHBondContact O-N 3.43Å
461	N	40.9	Very low	36.9	Very low	151 Å²	151	142.6 Å²	142.6	81%	0.807	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	38.3	-168.2	-71	-13.8	0	0	0	115.9
462	L	37.6	Very low	37	Very low	167 Å²	167	145.2 Å²	145.2	87%	0.874	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.6	13	175.6	-125.7	107	0	0	0	116.3	E460	E460-L462 PolarHBondContact O-N 3.43Å
463	N	34.4	Very low	36.9	Very low	170 Å²	170	145.7 Å²	145.7	91%	0.909	80%	0.798	S	S	*	*	S	Bend	trans	-133.8	24.5	-178.6	-95.1	-16.3	0	0	0	113.7
464	A	34.6	Very low	36.6	Very low	92 Å²	92	149 Å²	149	76%	0.76	80%	0.804	S	S	*	*	S	Bend	trans	-145.8	52.8	-173.6	0	0	0	0	0	114.3
465	E	34.9	Very low	36.3	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	81%	0.808	S	S	*	*			trans	-152.7	157.8	159.8	-118.9	170.6	168.6	0	0	109.5
466	I	36	Very low	36	Very low	177 Å²	177	148.4 Å²	148.4	91%	0.908	80%	0.799	S	S	*	*	S	Bend	trans	73.3	54.3	-168.5	-37.1	174.4	0	0	0	114.2
467	A	33.9	Very low	35.9	Very low	84 Å²	84	147.3 Å²	147.3	69%	0.694	79%	0.792	S	S	*	*			trans	-141.7	148.4	147.3	0	0	0	0	0	108.1
468	T	37.1	Very low	35.9	Very low	133 Å²	133	150.3 Å²	150.3	82%	0.816	79%	0.794	S	S	*	*			trans	67.7	134.3	-160	75.7	0	0	0	0	112.4
469	D	35.9	Very low	35.6	Very low	154 Å²	154	154.8 Å²	154.8	82%	0.824	80%	0.799	S	S	*	*			cis	-138.1	156.8	11.6	-101.8	-34.4	0	0	0	114.1
470	Y	29	Very low	35.5	Very low	213 Å²	213	152.4 Å²	152.4	84%	0.835	80%	0.795	S	S	*	*			trans	-76.6	160.1	163.7	-100.9	-104	0	0	0	109.7
471	P	39.7	Very low	35.6	Very low	115 Å²	115	149.8 Å²	149.8	75%	0.747	79%	0.792	S	S	*	*				-155.1	170	56.9	40.7	-18.3	0	0	0	120.1
472	H	36.4	Very low	35.5	Very low	165 Å²	165	147.5 Å²	147.5	76%	0.764	79%	0.788	S	S	*	*			trans	8.5	130.9	154	-77.3	-80.3	0	0	0	120.7
473	S	37.2	Very low	35.5	Very low	115 Å²	115	149.7 Å²	149.7	80%	0.804	78%	0.784	S	S	*	*				179.1	152.7	92.3	40.2	0	0	0	0	113.3
474	D	31.7	Very low	35.5	Very low	156 Å²	156	147.8 Å²	147.8	83%	0.834	77%	0.772	S	S	*	*			trans	-63.4	151.2	175.1	-56.1	-87.6	0	0	0	113
475	R	33.6	Very low	35.7	Very low	231 Å²	231	151.6 Å²	151.6	87%	0.872	78%	0.779	S	S	*	*				177.2	154.2	107	-164	160.1	-174.7	165.9	0.1	112.4
476	S	30.4	Very low	35.8	Very low	87 Å²	87	151 Å²	151	61%	0.608	78%	0.776	S	S	*	*			trans	-52.2	168.8	170	63.6	0	0	0	0	113.6
477	T	36.2	Very low	36.4	Very low	92 Å²	92	149 Å²	149	56%	0.564	77%	0.772	S	S	*	*				179	159.1	51.6	-21.8	0	0	0	0	111.6
478	Y	35.3	Very low	37.3	Very low	199 Å²	199	150.7 Å²	150.7	78%	0.78	78%	0.776	S	S	*	*			trans	55.6	121.8	161.1	-53.1	-59.9	0	0	0	118.5
479	Y	35.8	Very low	38.2	Very low	221 Å²	221	149.9 Å²	149.9	87%	0.867	77%	0.773	S	S	*	*				-167.6	139.6	70.5	-112.7	-89.7	0	0	0	112.6
480	T	34.4	Very low	39.3	Very low	123 Å²	123	148.6 Å²	148.6	76%	0.755	77%	0.773	S	S	*	*			trans	-134.4	-163.8	161	58.5	0	0	0	0	106.4
481	P	43.4	Very low	40.1	Very low	111 Å²	111	143.9 Å²	143.9	72%	0.721	77%	0.768	S	S	*	*			cis	-129	-168.2	-26.1	32.2	-11.9	0	0	0	111.7
482	S	37.1	Very low	40.1	Very low	104 Å²	104	146.1 Å²	146.1	73%	0.727	77%	0.771	S	S	*	*			trans	141	145.6	144.6	-69	0	0	0	0	112.6
483	R	37.8	Very low	40.2	Very low	212 Å²	212	145.5 Å²	145.5	80%	0.8	77%	0.772	S	S	*	*			cis	-163.1	143.9	-5.8	-118	-174.5	151.2	157.6	-6.1	110
484	M	35.2	Very low	40	Very low	131 Å²	131	149.2 Å²	149.2	65%	0.645	78%	0.777	S	S	*	*			trans	55.1	118.9	143.1	-57.2	177.5	84.7	0	0	121
485	L	39.6	Very low	40.1	Very low	172 Å²	172	147.1 Å²	147.1	90%	0.901	77%	0.774	S	S	*	*				-155.8	124.3	97.7	-128.2	77.9	0	0	0	110
486	E	35.4	Very low	40.2	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	77%	0.77	S	S	*	*			trans	-100.1	141.3	175.4	-77	157.4	104.5	0	0	110.8
487	T	49.2	Very low	40.5	Very low	134 Å²	134	144.4 Å²	144.4	82%	0.822	78%	0.78	S	S	*	*			trans	-125.5	132.3	161.7	43.3	0	0	0	0	109.2
488	P	53.7	Low	40.4	Very low	119 Å²	119	144.8 Å²	144.8	77%	0.773	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-88.6	153.5	-173.1	34.6	-35.4	0	0	0	112.8
489	P	56.1	Low	40.5	Very low	117 Å²	117	144 Å²	144	76%	0.76	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.6	152.6	167.5	32.7	-34.2	0	0	0	111.6
490	P	58.8	Low	40.5	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-77.8	146.2	-179.3	31.6	-35.1	0	0	0	112.9
491	P	44.4	Very low	40.9	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	79%	0.789	S	S	*	*			trans	-94.1	-173.9	171.1	38.5	-34.9	0	0	0	112.5
492	M	41.2	Very low	40.5	Very low	163 Å²	163	139.5 Å²	139.5	80%	0.803	79%	0.79	S	S	*	*			trans	86.6	130.7	177.5	-51.5	-159.5	84.3	0	0	114.1
493	L	38.6	Very low	40.7	Very low	152 Å²	152	143.3 Å²	143.3	80%	0.796	80%	0.801	S	S	*	*			cis	-145	153.2	9.2	-112	152.5	0	0	0	111.3
494	Q	31.4	Very low	41	Very low	192 Å²	192	137.8 Å²	137.8	90%	0.897	80%	0.795	S	S	*	*			trans	-87.1	134.3	174.8	-69.1	175.3	-41.4	0	0	111.9
495	S	35.3	Very low	41.6	Very low	112 Å²	112	135.3 Å²	135.3	78%	0.783	79%	0.787	S	S	*	*			trans	-153	115.1	148	57.2	0	0	0	0	111
496	T	35.3	Very low	41.9	Very low	126 Å²	126	130.3 Å²	130.3	77%	0.773	77%	0.771	S	S	*	*			trans	-17	148.7	153.9	58.6	0	0	0	0	115.8
497	V	37.3	Very low	42.3	Very low	135 Å²	135	127 Å²	127	82%	0.818	77%	0.766	S	S	*	*			cis	-153.4	170.5	41.9	-148.7	0	0	0	0	111.5
498	S	33.7	Very low	42.4	Very low	101 Å²	101	127.4 Å²	127.4	71%	0.706	76%	0.758	S	S	*	*			trans	-60.2	139	-177.5	55.8	0	0	0	0	117.7
499	L	37.6	Very low	42.4	Very low	181 Å²	181	125.2 Å²	125.2	95%	0.948	74%	0.743	S	S	*	*			trans	-169.4	140.8	138	-123.4	75.8	0	0	0	105.1
500	G	35.3	Very low	42.2	Very low	65 Å²	65	125.4 Å²	125.4	67%	0.67	74%	0.737	S	S	*	*			cis	178.4	111.4	0.7	0	0	0	0	0	106.4	H502	G500-H502 PolarHBondContact O-N 2.82Å
501	T	41.6	Very low	42	Very low	137 Å²	137	126 Å²	126	84%	0.84	73%	0.729	S	S	*	*			trans	-75.7	101.7	-173.3	46.5	0	0	0	0	111.8
502	H	36.9	Very low	42.5	Very low	159 Å²	159	127.8 Å²	127.8	74%	0.736	72%	0.721	S	S	*	*			trans	-145.4	5.7	-176.2	-106.6	-73.8	0	0	0	119.4	G500	G500-H502 PolarHBondContact O-N 2.82Å
503	L	39.7	Very low	43	Very low	185 Å²	185	125.2 Å²	125.2	97%	0.969	71%	0.709	S	S	*	*	S	Bend	trans	-99.4	-0.7	-173.2	-85.8	148.7	0	0	0	116.8
504	S	45.4	Very low	43.9	Very low	96 Å²	96	124.2 Å²	124.2	67%	0.671	70%	0.704	S	S	*	*	S	Bend	trans	-108.2	-24.8	178.4	-168.5	0	0	0	0	114.1
505	T	48.2	Very low	44.8	Very low	79 Å²	79	120.8 Å²	120.8	49%	0.485	69%	0.692	S	S	.	*	S	Bend	trans	-88.2	-9.8	-170.7	-12.3	0	0	0	0	114.8	T509	T505-T509 PolarHBondContact O-OG1 3.17Å
506	A	44.7	Very low	45.5	Very low	66 Å²	66	120.8 Å²	120.8	55%	0.545	68%	0.68	S	S	.	*	H	α-helix	trans	-68.6	-42.1	-176	0	0	0	0	0	113	Q508	A506-Q508 PolarHBondContact O-N 3.02Å
507	C	44.7	Very low	46.1	Very low	109 Å²	109	119 Å²	119	74%	0.736	68%	0.678	S	S	*	*	H	α-helix	trans	-75.5	-22.7	-178.5	-67.3	0	0	0	0	114
508	Q	50.3	Low	46.6	Very low	141 Å²	141	121.7 Å²	121.7	66%	0.659	68%	0.678	S	S	*	*	H	α-helix	trans	-83.7	-24.1	-178.7	-64.7	-177.8	6.2	0	0	112.9	A506	A506-Q508 PolarHBondContact O-N 3.02Å
509	T	53.8	Low	46.9	Very low	74 Å²	74	123.9 Å²	123.9	45%	0.454	68%	0.681	S	S	.	*	H	α-helix	trans	-77.9	-37.7	-177.1	-50.4	0	0	0	0	112.4	T505 H511 R512 L513	T505-T509 PolarHBondContact O-OG1 3.17Å; T509-H511 VanDerWaalsContact C-N 3.31Å; T509-H511 PolarHBondContact O-N 3Å; T509-R512 PolarHBondContact O-N 2.89Å; T509-L513 HydrophobicContact CG2-CD1 4.36Å; T509-L513 PolarHBondContact O-N 2.82Å
510	L	52.3	Low	46.8	Very low	120 Å²	120	120.2 Å²	120.2	63%	0.628	67%	0.67	S	S	*	*	H	α-helix	trans	-62.5	-36.3	175	-90.6	161.5	0	0	0	112.7	R512 L514	L510-R512 VanDerWaalsContact C-N 3.29Å; L510-R512 PolarHBondContact O-N 3.32Å; L510-L514 PolarHBondContact O-N 2.9Å
511	H	53.7	Low	46.8	Very low	140 Å²	140	124.8 Å²	124.8	65%	0.648	68%	0.679	S	S	*	*	H	α-helix	trans	-72.1	-21.2	178.8	-129.1	-75.2	0	0	0	113.6	T509	T509-H511 VanDerWaalsContact C-N 3.31Å; T509-H511 PolarHBondContact O-N 3Å
512	R	54.8	Low	46.6	Very low	151 Å²	151	123.4 Å²	123.4	57%	0.57	68%	0.675	S	S	*	*	H	α-helix	trans	-83.4	-44.7	174.4	-164.7	168.1	78.7	88.9	-2.4	111.9	T509 L510 L514 N515 E516	T509-R512 PolarHBondContact O-N 2.89Å; L510-R512 VanDerWaalsContact C-N 3.29Å; L510-R512 PolarHBondContact O-N 3.32Å; R512-L514 VanDerWaalsContact C-N 3.33Å; R512-L514 PolarHBondContact O-N 2.83Å; R512-N515 PolarHBondContact O-N 3.11Å; R512-N515 VanDerWaalsContact O-N 3.17Å; R512-E516 VanDerWaalsContact CG-OE1 3.24Å; R512-E516 WeakPolarHBondContact CG-OE1 3.4Å; R512-E516 IonicContact CZ-OE1 3.61Å; R512-E516 IonicContact CZ-OE2 3.85Å; R512-E516 IonicContact NE-OE1 3.94Å; R512-E516 VanDerWaalsContact NH1-CD 3.25Å; R512-E516 IonicContact NH1-OE1 2.71Å; R512-E516 PolarHBondContact NH1-OE1 3.1Å; R512-E516 IonicContact NH1-OE2 2.65Å; R512-E516 PolarHBondContact NH1-OE2 2.87Å; R512-E516 PolarHBondContact O-N 3.33Å; R512-E516 VanDerWaalsContact O-N 3.17Å
513	L	53.5	Low	46.6	Very low	108 Å²	108	125.3 Å²	125.3	57%	0.565	68%	0.684	S	S	*	*	H	α-helix	trans	-67	-30	-179.3	-68.6	174.2	0	0	0	113.6	T509	T509-L513 HydrophobicContact CG2-CD1 4.36Å; T509-L513 PolarHBondContact O-N 2.82Å
514	L	56.3	Low	46.3	Very low	132 Å²	132	121.8 Å²	121.8	69%	0.691	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-20.9	174.2	-77.9	167.3	0	0	0	114	L510 R512	L510-L514 PolarHBondContact O-N 2.9Å; R512-L514 VanDerWaalsContact C-N 3.33Å; R512-L514 PolarHBondContact O-N 2.83Å
515	N	50.5	Low	45.9	Very low	119 Å²	119	122 Å²	122	64%	0.636	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-24.6	178.1	-86.4	-11.9	0	0	0	113.4	R512 A517	R512-N515 PolarHBondContact O-N 3.11Å; R512-N515 VanDerWaalsContact O-N 3.17Å; N515-A517 VanDerWaalsContact C-N 3.34Å
516	E	50.6	Low	45.2	Very low	113 Å²	113	125.2 Å²	125.2	53%	0.528	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-81.6	-10.1	-179.6	-73.8	172.6	-172.2	0	0	113.5	R512 K518	R512-E516 VanDerWaalsContact CG-OE1 3.24Å; R512-E516 WeakPolarHBondContact CG-OE1 3.4Å; R512-E516 IonicContact CZ-OE1 3.61Å; R512-E516 IonicContact CZ-OE2 3.85Å; R512-E516 IonicContact NE-OE1 3.94Å; R512-E516 VanDerWaalsContact NH1-CD 3.25Å; R512-E516 IonicContact NH1-OE1 2.71Å; R512-E516 PolarHBondContact NH1-OE1 3.1Å; R512-E516 IonicContact NH1-OE2 2.65Å; R512-E516 PolarHBondContact NH1-OE2 2.87Å; R512-E516 PolarHBondContact O-N 3.33Å; R512-E516 VanDerWaalsContact O-N 3.17Å; E516-K518 PolarHBondContact O-N 2.83Å
517	A	47.9	Very low	44.6	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-90.9	18.3	-176	0	0	0	0	0	115.7	N515	N515-A517 VanDerWaalsContact C-N 3.34Å
518	K	47	Very low	44.1	Very low	191 Å²	191	130.4 Å²	130.4	83%	0.83	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-133.6	14.6	-168.8	-145.7	174.6	-177.4	176.6	0	116.8	E516	E516-K518 PolarHBondContact O-N 2.83Å
519	I	40.5	Very low	43.5	Very low	148 Å²	148	130 Å²	130	76%	0.759	69%	0.693	S	S	*	*	S	Bend	trans	-139.5	136.7	177.4	-55.2	-180	0	0	0	109.1
520	S	36.4	Very low	42.6	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	71%	0.711	S	S	*	*			trans	70.9	137.7	-172.1	82.9	0	0	0	0	113.7
521	D	34.1	Very low	41.7	Very low	161 Å²	161	135.2 Å²	135.2	86%	0.861	72%	0.717	S	S	*	*			cis	-137.7	152	4.8	-90.4	-52.2	0	0	0	113.4
522	S	36.9	Very low	40.9	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	72%	0.723	S	S	*	*			trans	-120.1	103.3	171.9	58.7	0	0	0	0	110.5
523	Q	38.2	Very low	40	Very low	200 Å²	200	134.9 Å²	134.9	94%	0.935	73%	0.729	S	S	*	*			trans	-175.1	140	142.5	-105.6	164.8	2.8	0	0	113.4
524	S	32.2	Very low	38.9	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	74%	0.735	S	S	*	*			trans	-94.9	-176.8	165.3	-148.5	0	0	0	0	108.1
525	P	37	Very low	37.8	Very low	99 Å²	99	134.6 Å²	134.6	64%	0.643	74%	0.737	S	S	*	*			cis	-143.7	-170.1	-0.7	38.7	-16.7	0	0	0	116.3
526	L	33.1	Very low	36.9	Very low	148 Å²	148	135.2 Å²	135.2	78%	0.775	75%	0.746	S	S	*	*			trans	92.6	135.7	137.3	-93.3	176.9	0	0	0	123.4
527	M	33.2	Very low	36.1	Very low	142 Å²	142	136.8 Å²	136.8	70%	0.7	76%	0.758	S	S	*	*			trans	70.9	150	156.8	-54.9	-69.4	-88.5	0	0	119.9
528	E	34.8	Very low	35.4	Very low	141 Å²	141	137.8 Å²	137.8	66%	0.659	76%	0.759	S	S	*	*			cis	-173.8	175.3	-31.4	-158.4	179.2	-153.3	0	0	107.4
529	I	36.7	Very low	34.8	Very low	133 Å²	133	132.5 Å²	132.5	68%	0.682	76%	0.759	S	S	*	*			trans	59.6	116.4	159.4	5.8	177.4	0	0	0	118.3
530	L	36	Very low	34.4	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	76%	0.762	S	S	*	*				-170.3	164.1	61.5	-94.2	167.1	0	0	0	112.6
531	N	31.9	Very low	34.4	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	77%	0.769	S	S	*	*			trans	-98.7	-166.6	-174.4	-59.6	-49.5	0	0	0	114.1
532	M	37.8	Very low	34.2	Very low	155 Å²	155	132.9 Å²	132.9	76%	0.764	77%	0.767	S	S	*	*			trans	91.8	136.5	167.8	-45.1	-88.8	77.2	0	0	114.2
533	D	35.5	Very low	34.1	Very low	130 Å²	130	133.6 Å²	133.6	70%	0.695	77%	0.77	S	S	*	*			cis	-154.7	173	-3.5	-117.9	-27.1	0	0	0	113.3
534	T	30	Very low	34	Very low	115 Å²	115	129.8 Å²	129.8	71%	0.706	76%	0.76	S	S	*	*			trans	-103.3	171.5	-172.8	44.8	0	0	0	0	114.8
535	T	32.9	Very low	34	Very low	118 Å²	118	131 Å²	131	72%	0.724	76%	0.758	S	S	*	*			trans	94.2	126.9	153.8	70.9	0	0	0	0	122
536	T	32.4	Very low	33.7	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	77%	0.765	S	S	*	*			trans	59.3	153.2	143.3	52.7	0	0	0	0	119.2
537	D	34.6	Very low	33.9	Very low	146 Å²	146	131.8 Å²	131.8	78%	0.781	77%	0.767	S	S	*	*			cis	-149	176.3	13.9	-163.6	-7.1	0	0	0	110.3
538	S	32.2	Very low	33.6	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	77%	0.767	S	S	*	*			trans	-65.1	153.3	173.1	59.4	0	0	0	0	115.5
539	G	35.5	Very low	33.5	Very low	80 Å²	80	135 Å²	135	83%	0.825	78%	0.776	S	S	*	*			trans	-174.8	113.7	174.7	0	0	0	0	0	114.7
540	T	32.3	Very low	33.2	Very low	134 Å²	134	133.1 Å²	133.1	82%	0.822	78%	0.775	S	S	*	*			trans	-83.2	139.9	173.3	36	0	0	0	0	112.1
541	Q	35.4	Very low	33.1	Very low	190 Å²	190	128 Å²	128	89%	0.888	76%	0.762	S	S	*	*				174.2	135.1	119	-95.4	177.9	5.3	0	0	116.4
542	A	30	Very low	33.3	Very low	98 Å²	98	131.6 Å²	131.6	81%	0.81	77%	0.766	S	S	*	*			trans	-1.1	130.2	154	0	0	0	0	0	123.3
543	C	34.3	Very low	33.1	Very low	122 Å²	122	131 Å²	131	82%	0.824	77%	0.766	S	S	*	*			trans	-173.5	150.4	135.7	48.1	0	0	0	0	108.8
544	V	35.4	Very low	33	Very low	119 Å²	119	132 Å²	132	72%	0.721	77%	0.77	S	S	*	*			cis	-164.7	150.5	-4.2	120.5	0	0	0	0	110
545	N	32.8	Very low	33.4	Very low	137 Å²	137	132.1 Å²	132.1	73%	0.733	77%	0.773	S	S	*	*			trans	61.5	119.8	162.1	-67.3	-2	0	0	0	121
546	V	31.6	Very low	33.4	Very low	130 Å²	130	129.8 Å²	129.8	79%	0.788	77%	0.773	S	S	*	*				72.4	117	72.1	173.5	0	0	0	0	110.9
547	V	35.8	Very low	33.5	Very low	134 Å²	134	128.8 Å²	128.8	81%	0.812	77%	0.771	S	S	*	*				-135.5	150.7	65.1	175.2	0	0	0	0	113.3
548	N	26.8	Very low	33.7	Very low	130 Å²	130	128.1 Å²	128.1	70%	0.695	77%	0.773	S	S	*	*			trans	-124.2	143.6	178.3	-172.6	21.1	0	0	0	109.9
549	Y	33.3	Very low	33.8	Very low	219 Å²	219	130.1 Å²	130.1	86%	0.859	78%	0.775	S	S	*	*			trans	-152.2	121.8	158.9	-114.7	-79.1	0	0	0	110.1
550	S	29.8	Very low	34	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	77%	0.774	S	S	*	*			trans	-133.3	156.8	-178.2	57	0	0	0	0	111.3
551	G	34.9	Very low	33.9	Very low	54 Å²	54	132.3 Å²	132.3	56%	0.557	77%	0.767	S	S	*	*			trans	145	140.5	178.5	0	0	0	0	0	111.6
552	Y	36.3	Very low	33.9	Very low	217 Å²	217	131.9 Å²	131.9	85%	0.851	77%	0.769	S	S	*	*			cis	-151.6	158.9	2.8	-50.7	-85	0	0	0	109.9
553	D	32.6	Very low	33.9	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	77%	0.765	S	S	*	*			trans	-85.6	148.8	-171.7	-66.5	-78.8	0	0	0	116
554	L	33.1	Very low	33.8	Very low	150 Å²	150	135.3 Å²	135.3	79%	0.785	77%	0.77	S	S	*	*			trans	45.1	172.4	136.1	-82.8	84.6	0	0	0	121.8
555	P	39.4	Very low	33.7	Very low	117 Å²	117	134 Å²	134	76%	0.76	77%	0.767	S	S	*	*			cis	-139.3	174.1	-47.1	39.6	-23.5	0	0	0	114.5
556	G	32.8	Very low	33.6	Very low	70 Å²	70	132.8 Å²	132.8	72%	0.722	77%	0.769	S	S	*	*				113.3	137.2	129.3	0	0	0	0	0	122.1
557	S	35.1	Very low	33.8	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	77%	0.774	S	S	*	*			trans	110.7	124.5	144.1	84.4	0	0	0	0	121.5
558	T	38.6	Very low	33.5	Very low	133 Å²	133	132.9 Å²	132.9	82%	0.816	78%	0.776	S	S	*	*			trans	75.9	100.6	143.8	50.6	0	0	0	0	123.1
559	D	33.6	Very low	34	Very low	149 Å²	149	132.1 Å²	132.1	80%	0.797	78%	0.781	S	S	*	*			trans	-30.6	168.7	135.4	-79.6	-56	0	0	0	117.3
560	P	39.3	Very low	34	Very low	125 Å²	125	126.8 Å²	126.8	81%	0.812	78%	0.775	S	S	*	*			cis	-146.6	178.4	32.8	41.2	-19.4	0	0	0	120.5
561	M	31.7	Very low	34.4	Very low	136 Å²	136	129.7 Å²	129.7	67%	0.67	78%	0.782	S	S	*	*			trans	-61.6	157.8	178.1	-62.5	160.9	50.9	0	0	117	Q563	M561-Q563 HydrophobicContact CE-CG 3.73Å
562	L	35.1	Very low	34.4	Very low	180 Å²	180	135.6 Å²	135.6	94%	0.942	79%	0.792	S	S	*	*			trans	-132.9	123.2	143.7	-91.7	169	0	0	0	110.8
563	Q	29.9	Very low	34	Very low	153 Å²	153	131.3 Å²	131.3	72%	0.715	79%	0.789	S	S	*	*			trans	-96.8	156.2	168.5	-74.4	176.8	-39.7	0	0	110.3	M561	M561-Q563 HydrophobicContact CE-CG 3.73Å
564	C	31.5	Very low	34.1	Very low	139 Å²	139	129.7 Å²	129.7	94%	0.939	79%	0.788	S	S	*	*			trans	-151.1	152.2	145.1	-145.5	0	0	0	0	111.7
565	S	33.3	Very low	34.1	Very low	93 Å²	93	128.1 Å²	128.1	65%	0.65	79%	0.785	S	S	*	*			trans	-117.9	156.6	-155.6	-51.5	0	0	0	0	114.4
566	S	31.2	Very low	33.9	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	79%	0.788	S	S	*	*			trans	-19.2	144.9	160.1	51	0	0	0	0	119.3
567	S	35	Very low	33.9	Very low	129 Å²	129	133 Å²	133	90%	0.902	79%	0.787	S	S	*	*			trans	-153.2	145.3	155.7	-79.9	0	0	0	0	112.6
568	T	29.6	Very low	33.6	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	79%	0.787	S	S	*	*			trans	-123.5	137.3	-168.7	51.7	0	0	0	0	113.6
569	S	36.9	Very low	33.4	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	79%	0.791	S	S	*	*			trans	-170.1	123.8	153.5	41	0	0	0	0	108.9
570	S	34.9	Very low	33.4	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	79%	0.792	S	S	*	*				77.3	111.8	51.2	-60.6	0	0	0	0	114.2
571	I	36.9	Very low	33.2	Very low	155 Å²	155	133.2 Å²	133.2	80%	0.795	78%	0.783	S	S	*	*				153.6	123	128.6	-80.7	163.4	0	0	0	115.6
572	K	35.2	Very low	33.3	Very low	179 Å²	179	132.6 Å²	132.6	78%	0.778	79%	0.787	S	S	*	*			trans	67.3	104.7	149	-76.5	176.2	179.5	-178.7	0	125
573	T	29	Very low	33.1	Very low	126 Å²	126	128.8 Å²	128.8	77%	0.773	78%	0.775	S	S	*	*				36.2	119	110.5	60.7	0	0	0	0	122.7
574	S	33.9	Very low	33.2	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	78%	0.784	S	S	*	*				-175.3	117.2	116.6	53.8	0	0	0	0	109.1
575	V	34	Very low	33.2	Very low	118 Å²	118	128.3 Å²	128.3	72%	0.715	78%	0.777	S	S	*	*				76.8	117.6	84.7	171.8	0	0	0	0	114
576	Q	35.1	Very low	33.2	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.813	79%	0.789	S	S	*	*			trans	65.6	148.4	162.8	-66.9	162.1	-1	0	0	116.5
577	T	32.5	Very low	33	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	79%	0.788	S	S	*	*			cis	-160.4	160.4	-6.8	11.1	0	0	0	0	109.4
578	N	27.9	Very low	33.1	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	79%	0.79	S	S	*	*			trans	-5.3	119.1	157.9	-51.8	-12.5	0	0	0	118.1
579	T	35	Very low	33	Very low	145 Å²	145	138.6 Å²	138.6	89%	0.89	79%	0.789	S	S	*	*				-170.9	136.6	108.4	25.9	0	0	0	0	113.7
580	V	34	Very low	32.7	Very low	134 Å²	134	138.9 Å²	138.9	81%	0.812	79%	0.79	S	S	*	*			trans	-91.8	164.2	163	157.8	0	0	0	0	106.5
581	P	35.2	Very low	32.5	Very low	97 Å²	97	140 Å²	140	63%	0.63	79%	0.787	S	S	*	*			cis	-141.3	-172.7	18.6	20.9	7.7	0	0	0	117.6
582	T	32.6	Very low	32.1	Very low	123 Å²	123	139.1 Å²	139.1	76%	0.755	78%	0.784	S	S	*	*			trans	64.2	149.4	140.9	46.5	0	0	0	0	120.6
583	S	30.5	Very low	32	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	78%	0.781	S	S	*	*			cis	-176.9	130.9	-20.8	48.1	0	0	0	0	108
584	C	33.5	Very low	31.9	Very low	132 Å²	132	136.3 Å²	136.3	89%	0.892	78%	0.776	S	S	*	*			trans	-143.6	116.7	167.7	-65.4	0	0	0	0	109.8
585	D	30.5	Very low	31.9	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	78%	0.781	S	S	*	*			trans	-66.9	150	166.3	-67	-67.1	0	0	0	111.3
586	N	33.2	Very low	31.6	Very low	166 Å²	166	139.8 Å²	139.8	89%	0.888	78%	0.782	S	S	*	*				-169.7	134.1	126.3	-100.1	-36.5	0	0	0	112
587	S	28	Very low	31.5	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	79%	0.785	S	S	*	*			trans	-81.2	139.6	171.5	49.8	0	0	0	0	111.1
588	Q	36.3	Very low	31.3	Very low	202 Å²	202	138.1 Å²	138.1	94%	0.944	78%	0.784	S	S	*	*			trans	-158.3	148.1	153.6	-115.8	165.4	32.9	0	0	113.2
589	Y	27.7	Very low	31.5	Very low	207 Å²	207	138.2 Å²	138.2	81%	0.812	79%	0.79	S	S	*	*			trans	-66.4	154.7	-179.9	-90.6	-123.1	0	0	0	113.8
590	C	31.6	Very low	31.2	Very low	122 Å²	122	138.3 Å²	138.3	82%	0.824	78%	0.78	S	S	*	*				167.1	110.5	126.4	-83.6	0	0	0	0	108.7
591	N	29.2	Very low	31.2	Very low	129 Å²	129	140.7 Å²	140.7	69%	0.69	78%	0.782	S	S	*	*				69.1	111.4	71.3	-86.1	-2.5	0	0	0	117.8
592	L	30	Very low	30.8	Very low	137 Å²	137	141.8 Å²	141.8	72%	0.717	78%	0.783	S	S	*	*			trans	83.2	145.5	134.8	-94.6	83.6	0	0	0	124.2
593	N	32.5	Very low	30.7	Very low	137 Å²	137	147.5 Å²	147.5	73%	0.733	79%	0.791	S	S	*	*			trans	98.5	98.3	162.1	-55.6	-24	0	0	0	114.8
594	T	26	Very low	30.7	Very low	108 Å²	108	147.8 Å²	147.8	66%	0.663	79%	0.793	S	S	*	*			cis	66.8	104.6	48	-45.5	0	0	0	0	113.7	E596	T594-E596 HydrophobicContact CG2-CG 4.3Å
595	V	35.7	Very low	30.6	Very low	143 Å²	143	146.8 Å²	146.8	87%	0.867	79%	0.794	S	S	*	*			trans	-137.6	122.8	148.4	178.2	0	0	0	0	106.8
596	E	26.9	Very low	30.6	Very low	159 Å²	159	146 Å²	146	74%	0.743	79%	0.79	S	S	*	*			trans	-87.1	153.3	179.8	-59.4	171.1	142.7	0	0	110.7	T594	T594-E596 HydrophobicContact CG2-CG 4.3Å
597	T	33.5	Very low	30.7	Very low	143 Å²	143	143.9 Å²	143.9	88%	0.877	78%	0.782	S	S	*	*			trans	-148.1	120.1	148	-34.8	0	0	0	0	110.4
598	T	27.5	Very low	30.7	Very low	111 Å²	111	145 Å²	145	68%	0.681	78%	0.78	S	S	*	*			trans	-82	132.7	-166.7	-41.3	0	0	0	0	112.7
599	T	31.4	Very low	30.5	Very low	149 Å²	149	145 Å²	145	91%	0.914	78%	0.777	S	S	*	*			trans	-135.5	131.3	146.4	35.7	0	0	0	0	109.4
600	Q	30.1	Very low	30.8	Very low	146 Å²	146	140.2 Å²	140.2	68%	0.682	77%	0.77	S	S	*	*			trans	-108	127.9	-160.3	-177.3	-179.8	-8.6	0	0	109.9
601	H	33	Very low	30.9	Very low	184 Å²	184	142.6 Å²	142.6	85%	0.852	77%	0.768	S	S	*	*			trans	-138.3	105	164	-104.7	-70.2	0	0	0	108.9	W603	H601-W603 PolarHBondContact O-N 3.32Å
602	D	28.3	Very low	31	Very low	121 Å²	121	143 Å²	143	65%	0.647	77%	0.771	S	S	*	*			trans	-63.3	127.6	174.5	-72.6	-58.2	0	0	0	111
603	W	29.7	Very low	31.3	Very low	243 Å²	243	144.9 Å²	144.9	92%	0.92	78%	0.776	S	S	*	*			trans	-132.2	107.4	149.7	-86.9	81.6	0	0	0	108.2	H601	H601-W603 PolarHBondContact O-N 3.32Å
604	S	30.7	Very low	31.4	Very low	105 Å²	105	144 Å²	144	73%	0.734	78%	0.775	S	S	*	*			trans	-66	139.5	-175.8	-60	0	0	0	0	112.1	N606	S604-N606 PolarHBondContact O-N 3.39Å
605	A	30.7	Very low	32.2	Very low	111 Å²	111	144.5 Å²	144.5	92%	0.917	77%	0.77	S	S	*	*	S	Bend	trans	-72.1	91.5	170.4	0	0	0	0	0	110.6
606	N	30	Very low	32.6	Very low	134 Å²	134	140.9 Å²	140.9	72%	0.717	75%	0.748	S	S	*	*			trans	-155.5	90.5	156.6	-155.1	7.8	0	0	0	111.1	S604	S604-N606 PolarHBondContact O-N 3.39Å
607	V	35	Very low	33.5	Very low	121 Å²	121	137.7 Å²	137.7	73%	0.733	74%	0.735	S	S	*	*			trans	-136.9	105.7	167.4	-176.9	0	0	0	0	107.3	F609	V607-F609 PolarHBondContact O-N 3.41Å
608	D	30	Very low	34.1	Very low	133 Å²	133	136 Å²	136	71%	0.711	72%	0.721	S	S	*	*			trans	-61.2	107.2	173.2	-72.8	-54	0	0	0	110	T610	D608-T610 PolarHBondContact O-N 2.94Å
609	F	30.3	Very low	35.4	Very low	202 Å²	202	135 Å²	135	89%	0.886	71%	0.709	S	S	*	*			trans	-75.5	76.4	173.4	-111.4	-87.8	0	0	0	109.9	V607 H611	V607-F609 PolarHBondContact O-N 3.41Å; F609-H611 PolarHBondContact O-N 3.42Å
610	T	34.9	Very low	36.4	Very low	107 Å²	107	132.8 Å²	132.8	66%	0.656	69%	0.691	S	S	*	*			trans	-63.9	119.1	169.5	51.2	0	0	0	0	109.7	D608 N612	D608-T610 PolarHBondContact O-N 2.94Å; T610-N612 PolarHBondContact O-N 2.87Å
611	H	32.6	Very low	37.9	Very low	172 Å²	172	129 Å²	129	80%	0.796	68%	0.675	S	S	*	*			trans	-50.5	105.1	178.8	172.4	-80.5	0	0	0	112.2	F609	F609-H611 PolarHBondContact O-N 3.42Å
612	N	32.6	Very low	39	Very low	138 Å²	138	125.6 Å²	125.6	74%	0.738	66%	0.66	S	S	*	*			trans	-146.7	131.5	174.4	-95.6	-42.5	0	0	0	111.9	T610	T610-N612 PolarHBondContact O-N 2.87Å
613	Q	35	Very low	40.6	Very low	176 Å²	176	125.1 Å²	125.1	82%	0.822	66%	0.656	S	S	*	*			trans	56.2	66.9	171.6	-71.1	-178.7	-27.9	0	0	117.5	Q615	Q613-Q615 PolarHBondContact O-N 2.94Å; Q613-Q615 VanDerWaalsContact O-N 3.12Å
614	T	36.2	Very low	41.8	Very low	117 Å²	117	119.4 Å²	119.4	72%	0.718	64%	0.635	S	S	*	*			trans	-73.2	84.4	141.5	-52.9	0	0	0	0	108	T616	T614-T616 HydrophobicContact CG2-CG2 4.39Å; T614-T616 PolarHBondContact O-N 2.97Å; T614-T616 VanDerWaalsContact O-N 3.08Å
615	Q	41.5	Very low	42.4	Very low	120 Å²	120	118 Å²	118	56%	0.561	62%	0.619	S	S	*	*			trans	-66.9	108	171.8	-149.8	170.1	16.2	0	0	107.7	Q613 E619	Q613-Q615 PolarHBondContact O-N 2.94Å; Q613-Q615 VanDerWaalsContact O-N 3.12Å; Q615-E619 HydrophobicContact CG-CB 4.35Å; Q615-E619 HydrophobicContact CG-CG 4.48Å; Q615-E619 WeakPolarHBondContact CG-OE2 3.41Å; Q615-E619 PolarHBondContact NE2-OE2 3.17Å
616	T	43.9	Very low	43.3	Very low	66 Å²	66	116.6 Å²	116.6	41%	0.405	60%	0.596	S	S	.	*			trans	-77.5	156.2	-174.9	58.5	0	0	0	0	110.6	T614 D618 E619	T614-T616 HydrophobicContact CG2-CG2 4.39Å; T614-T616 PolarHBondContact O-N 2.97Å; T614-T616 VanDerWaalsContact O-N 3.08Å; T616-D618 PolarHBondContact O-N 3.02Å; T616-D618 PolarHBondContact OG1-OD2 3.47Å; T616-E619 PolarHBondContact O-N 3.33Å
617	I	45.5	Very low	44.8	Very low	92 Å²	92	113.1 Å²	113.1	47%	0.472	58%	0.582	S	S	.	*	H	α-helix	trans	-58.3	-23.5	-180	-69.1	161.1	0	0	0	111.5	E356 E619 D620 I621	E356-I617 HydrophobicContact CG-CD1 4.35Å; I617-E619 VanDerWaalsContact C-N 3.34Å; I617-E619 PolarHBondContact O-N 3.27Å; I617-D620 PolarHBondContact O-N 3.34Å; I617-I621 HydrophobicContact CG2-CD1 3.76Å; I617-I621 HydrophobicContact CG2-CG1 4.25Å; I617-I621 WeakPolarHBondContact O-CG1 3.26Å; I617-I621 PolarHBondContact O-N 3.43Å
618	D	46.6	Very low	45.2	Very low	109 Å²	109	110.1 Å²	110.1	58%	0.583	56%	0.563	S	S	*	*	H	α-helix	trans	-60.9	-36.8	175.2	-48.9	-64.1	0	0	0	112.7	T616 I621 E622	T616-D618 PolarHBondContact O-N 3.02Å; T616-D618 PolarHBondContact OG1-OD2 3.47Å; D618-I621 PolarHBondContact O-N 3.02Å; D618-E622 WeakPolarHBondContact O-CB 3.18Å; D618-E622 WeakPolarHBondContact O-CG 3.46Å; D618-E622 PolarHBondContact O-N 2.86Å
619	E	54.8	Low	45.8	Very low	89 Å²	89	109 Å²	109	42%	0.416	55%	0.554	S	S	.	*	H	α-helix	trans	-66.6	-41.9	176.2	-75.6	-173.4	-146.5	0	0	112.3	Q615 T616 I617 I621 E622 L623	Q615-E619 HydrophobicContact CG-CB 4.35Å; Q615-E619 HydrophobicContact CG-CG 4.48Å; Q615-E619 WeakPolarHBondContact CG-OE2 3.41Å; Q615-E619 PolarHBondContact NE2-OE2 3.17Å; T616-E619 PolarHBondContact O-N 3.33Å; I617-E619 VanDerWaalsContact C-N 3.34Å; I617-E619 PolarHBondContact O-N 3.27Å; E619-I621 VanDerWaalsContact C-N 3.3Å; E619-I621 PolarHBondContact O-N 3.04Å; E619-E622 PolarHBondContact O-N 3.4Å; E619-L623 WeakPolarHBondContact O-CB 3.41Å; E619-L623 VanDerWaalsContact O-CG 3.25Å; E619-L623 WeakPolarHBondContact O-CG 3.13Å; E619-L623 PolarHBondContact O-N 2.81Å
620	D	53	Low	46.7	Very low	102 Å²	102	104.6 Å²	104.6	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-33.6	176.7	-92.5	-14	0	0	0	111.4	I617 W624	I617-D620 PolarHBondContact O-N 3.34Å; D620-W624 WeakPolarHBondContact O-CB 3.24Å; D620-W624 PolarHBondContact O-N 3.49Å; D620-W624 VanDerWaalsContact O-N 3.1Å
621	I	60.8	Low	47	Very low	66 Å²	66	106.4 Å²	106.4	34%	0.338	55%	0.545	S	S	.	.	H	α-helix	trans	-70.7	-46.9	174.1	-69.6	171.9	0	0	0	110.7	I617 D618 E619 W624 L625	I617-I621 HydrophobicContact CG2-CD1 3.76Å; I617-I621 HydrophobicContact CG2-CG1 4.25Å; I617-I621 WeakPolarHBondContact O-CG1 3.26Å; I617-I621 PolarHBondContact O-N 3.43Å; D618-I621 PolarHBondContact O-N 3.02Å; E619-I621 VanDerWaalsContact C-N 3.3Å; E619-I621 PolarHBondContact O-N 3.04Å; I621-W624 PolarHBondContact O-N 2.96Å; I621-L625 HydrophobicContact CG2-CD1 3.78Å; I621-L625 HydrophobicContact CG2-CG 4.19Å; I621-L625 WeakPolarHBondContact O-CB 3.36Å; I621-L625 VanDerWaalsContact O-CG 3.28Å; I621-L625 WeakPolarHBondContact O-CG 3.13Å; I621-L625 PolarHBondContact O-N 2.83Å
622	E	56.6	Low	47.7	Very low	114 Å²	114	102.1 Å²	102.1	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-56.5	-49.6	174.5	-84	-74.3	145.8	0	0	111.4	D618 E619 W624 L625 N626	D618-E622 WeakPolarHBondContact O-CB 3.18Å; D618-E622 WeakPolarHBondContact O-CG 3.46Å; D618-E622 PolarHBondContact O-N 2.86Å; E619-E622 PolarHBondContact O-N 3.4Å; E622-W624 VanDerWaalsContact C-N 3.28Å; E622-W624 PolarHBondContact O-N 3.16Å; E622-L625 PolarHBondContact O-N 3.41Å; E622-N626 WeakPolarHBondContact O-CB 3.34Å; E622-N626 PolarHBondContact O-N 2.99Å; E622-N626 PolarHBondContact O-ND2 3.17Å; E622-N626 PolarHBondContact OE2-ND2 2.94Å
623	L	62.7	Low	48	Very low	111 Å²	111	99.4 Å²	99.4	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-61.5	-36.1	177.3	-73	169	0	0	0	112.2	E619 S627	E619-L623 WeakPolarHBondContact O-CB 3.41Å; E619-L623 VanDerWaalsContact O-CG 3.25Å; E619-L623 WeakPolarHBondContact O-CG 3.13Å; E619-L623 PolarHBondContact O-N 2.81Å; L623-S627 WeakPolarHBondContact O-CB 3.44Å; L623-S627 PolarHBondContact O-N 3.07Å; L623-S627 VanDerWaalsContact O-N 3.17Å
624	W	53.6	Low	48.3	Very low	122 Å²	122	99.3 Å²	99.3	46%	0.462	52%	0.52	S	S	.	.	H	α-helix	trans	-72.5	-42.6	175.6	-173.2	76.1	0	0	0	112.8	I363 F367 D620 I621 E622 S627 V628	I363-W624 HydrophobicContact CG2-CZ3 4.32Å; F367-W624 HydrophobicContact CD2-CH2 4.2Å; F367-W624 HydrophobicContact CD2-CZ3 4.33Å; D620-W624 WeakPolarHBondContact O-CB 3.24Å; D620-W624 PolarHBondContact O-N 3.49Å; D620-W624 VanDerWaalsContact O-N 3.1Å; I621-W624 PolarHBondContact O-N 2.96Å; E622-W624 VanDerWaalsContact C-N 3.28Å; E622-W624 PolarHBondContact O-N 3.16Å; W624-S627 WeakPolarHBondContact O-CB 3.44Å; W624-S627 PolarHBondContact O-N 2.93Å; W624-V628 HydrophobicContact CD2-CG2 4.28Å; W624-V628 HydrophobicContact CH2-CG2 4.35Å; W624-V628 HydrophobicContact CZ2-CG2 4.02Å; W624-V628 WeakPolarHBondContact O-CG2 3.3Å; W624-V628 PolarHBondContact O-N 2.73Å; W624-V628 VanDerWaalsContact O-N 3.08Å
625	L	44.5	Very low	48.5	Very low	76 Å²	76	96.3 Å²	96.3	40%	0.398	51%	0.507	S	S	.	.	H	α-helix	trans	-60.5	-47.7	175.9	-72.9	172.7	0	0	0	111	I621 E622 S627 V628 E629	I621-L625 HydrophobicContact CG2-CD1 3.78Å; I621-L625 HydrophobicContact CG2-CG 4.19Å; I621-L625 WeakPolarHBondContact O-CB 3.36Å; I621-L625 VanDerWaalsContact O-CG 3.28Å; I621-L625 WeakPolarHBondContact O-CG 3.13Å; I621-L625 PolarHBondContact O-N 2.83Å; E622-L625 PolarHBondContact O-N 3.41Å; L625-S627 VanDerWaalsContact C-N 3.28Å; L625-S627 PolarHBondContact O-N 3.26Å; L625-V628 PolarHBondContact O-N 3.21Å; L625-E629 WeakPolarHBondContact O-CB 3.19Å; L625-E629 PolarHBondContact O-N 2.96Å
626	N	48.1	Very low	48.1	Very low	82 Å²	82	99.5 Å²	99.5	44%	0.439	53%	0.528	S	S	.	.	H	α-helix	trans	-59.8	-35.5	175.2	-77.2	-67.4	0	0	0	112.6	E622 V628 T630	E622-N626 WeakPolarHBondContact O-CB 3.34Å; E622-N626 PolarHBondContact O-N 2.99Å; E622-N626 PolarHBondContact O-ND2 3.17Å; E622-N626 PolarHBondContact OE2-ND2 2.94Å; N626-V628 VanDerWaalsContact C-N 3.34Å; N626-V628 PolarHBondContact O-N 3.26Å; N626-T630 WeakPolarHBondContact O-CG2 3.41Å; N626-T630 PolarHBondContact O-N 3.24Å; N626-T630 VanDerWaalsContact O-N 3.11Å; N626-T630 PolarHBondContact O-OG1 3.21Å
627	S	61.9	Low	47.8	Very low	60 Å²	60	103.9 Å²	103.9	42%	0.42	54%	0.541	S	S	.	.	H	α-helix	trans	-71.1	-23.9	175.1	-170.6	0	0	0	0	114.1	L623 W624 L625 T630 Q631	L623-S627 WeakPolarHBondContact O-CB 3.44Å; L623-S627 PolarHBondContact O-N 3.07Å; L623-S627 VanDerWaalsContact O-N 3.17Å; W624-S627 WeakPolarHBondContact O-CB 3.44Å; W624-S627 PolarHBondContact O-N 2.93Å; L625-S627 VanDerWaalsContact C-N 3.28Å; L625-S627 PolarHBondContact O-N 3.26Å; S627-T630 WeakPolarHBondContact CA-OG1 3.41Å; S627-T630 PolarHBondContact O-OG1 3.41Å; S627-Q631 WeakPolarHBondContact O-CG 3.49Å; S627-Q631 PolarHBondContact O-NE2 3.26Å; S627-Q631 VanDerWaalsContact O-NE2 3.16Å
628	V	43.5	Very low	47.2	Very low	58 Å²	58	104.7 Å²	104.7	35%	0.352	55%	0.546	S	S	.	.	H	α-helix	trans	-89.3	-34.2	175.1	174.3	0	0	0	0	111.6	W624 L625 N626 Q631 T632	W624-V628 HydrophobicContact CD2-CG2 4.28Å; W624-V628 HydrophobicContact CH2-CG2 4.35Å; W624-V628 HydrophobicContact CZ2-CG2 4.02Å; W624-V628 WeakPolarHBondContact O-CG2 3.3Å; W624-V628 PolarHBondContact O-N 2.73Å; W624-V628 VanDerWaalsContact O-N 3.08Å; L625-V628 PolarHBondContact O-N 3.21Å; N626-V628 VanDerWaalsContact C-N 3.34Å; N626-V628 PolarHBondContact O-N 3.26Å; V628-Q631 PolarHBondContact O-N 3.4Å; V628-T632 PolarHBondContact O-N 3.05Å; V628-T632 PolarHBondContact O-OG1 3.39Å
629	E	43.8	Very low	46.8	Very low	111 Å²	111	104 Å²	104	52%	0.519	55%	0.548	S	S	.	.	H	α-helix	trans	-69.1	-38.7	178	-163.5	147.1	-118.8	0	0	111.5	L625 Q631 T632 N633	L625-E629 WeakPolarHBondContact O-CB 3.19Å; L625-E629 PolarHBondContact O-N 2.96Å; E629-Q631 VanDerWaalsContact C-N 3.27Å; E629-Q631 PolarHBondContact O-N 2.97Å; E629-T632 PolarHBondContact O-N 2.93Å; E629-T632 VanDerWaalsContact O-N 3.12Å; E629-T632 PolarHBondContact O-OG1 3.4Å; E629-N633 WeakPolarHBondContact CG-ND2 3.32Å; E629-N633 PolarHBondContact O-N 3.39Å; E629-N633 VanDerWaalsContact O-N 3.13Å; E629-N633 PolarHBondContact O-ND2 3.4Å; E629-N633 VanDerWaalsContact O-ND2 3.11Å
630	T	48.1	Very low	46.1	Very low	108 Å²	108	103.5 Å²	103.5	66%	0.663	56%	0.555	S	S	*	*	H	α-helix	trans	-62.6	-28.7	170.4	45.1	0	0	0	0	113.8	N626 S627	N626-T630 WeakPolarHBondContact O-CG2 3.41Å; N626-T630 PolarHBondContact O-N 3.24Å; N626-T630 VanDerWaalsContact O-N 3.11Å; N626-T630 PolarHBondContact O-OG1 3.21Å; S627-T630 WeakPolarHBondContact CA-OG1 3.41Å; S627-T630 PolarHBondContact O-OG1 3.41Å
631	Q	42.5	Very low	45.4	Very low	145 Å²	145	106.3 Å²	106.3	68%	0.678	56%	0.562	S	S	*	*	H	α-helix	trans	-81.7	-12.8	175	-69.5	178.4	41.1	0	0	113.8	S627 V628 E629	S627-Q631 WeakPolarHBondContact O-CG 3.49Å; S627-Q631 PolarHBondContact O-NE2 3.26Å; S627-Q631 VanDerWaalsContact O-NE2 3.16Å; V628-Q631 PolarHBondContact O-N 3.4Å; E629-Q631 VanDerWaalsContact C-N 3.27Å; E629-Q631 PolarHBondContact O-N 2.97Å
632	T	46.1	Very low	44.5	Very low	83 Å²	83	110 Å²	110	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-110.6	-10	-177	48.6	0	0	0	0	114.5	V628 E629 L634	V628-T632 PolarHBondContact O-N 3.05Å; V628-T632 PolarHBondContact O-OG1 3.39Å; E629-T632 PolarHBondContact O-N 2.93Å; E629-T632 VanDerWaalsContact O-N 3.12Å; E629-T632 PolarHBondContact O-OG1 3.4Å; T632-L634 VanDerWaalsContact C-N 3.27Å; T632-L634 PolarHBondContact O-N 3.42Å; T632-L634 VanDerWaalsContact O-N 3.17Å
633	N	38.7	Very low	43.6	Very low	80 Å²	80	109 Å²	109	43%	0.428	58%	0.581	S	S	.	*			trans	-82.7	29	-179.8	-88.2	-46	0	0	0	115.9	E629 A635	E629-N633 WeakPolarHBondContact CG-ND2 3.32Å; E629-N633 PolarHBondContact O-N 3.39Å; E629-N633 VanDerWaalsContact O-N 3.13Å; E629-N633 PolarHBondContact O-ND2 3.4Å; E629-N633 VanDerWaalsContact O-ND2 3.11Å; N633-A635 PolarHBondContact O-N 2.9Å
634	L	41.6	Very low	42.4	Very low	174 Å²	174	110.2 Å²	110.2	91%	0.911	59%	0.588	S	S	*	*			trans	-79.9	10.1	171.4	-89.4	160.1	0	0	0	113.9	T632	T632-L634 VanDerWaalsContact C-N 3.27Å; T632-L634 PolarHBondContact O-N 3.42Å; T632-L634 VanDerWaalsContact O-N 3.17Å
635	A	40.4	Very low	41.7	Very low	54 Å²	54	108.7 Å²	108.7	45%	0.446	59%	0.589	S	S	.	*	S	Bend	trans	-121.4	138	167.9	0	0	0	0	0	109	N633 F637	N633-A635 PolarHBondContact O-N 2.9Å; A635-F637 HydrophobicContact CB-CD2 4.24Å; A635-F637 HydrophobicContact CB-CE2 4.18Å; A635-F637 PolarHBondContact O-N 2.99Å
636	L	34.1	Very low	41.4	Very low	188 Å²	188	109.8 Å²	109.8	98%	0.984	60%	0.601	S	S	*	*			trans	-56.8	94.1	-177.5	-73.9	157.7	0	0	0	112.2
637	F	36.1	Very low	41	Very low	158 Å²	158	112.2 Å²	112.2	69%	0.693	62%	0.619	S	S	*	*			trans	-127	122.9	167.9	-77	-77.9	0	0	0	108.4	A635 P639	A635-F637 HydrophobicContact CB-CD2 4.24Å; A635-F637 HydrophobicContact CB-CE2 4.18Å; A635-F637 PolarHBondContact O-N 2.99Å; F637-P639 VanDerWaalsContact O-CD 3.28Å; F637-P639 WeakPolarHBondContact O-CD 3.41Å
638	D	33.3	Very low	39.6	Very low	108 Å²	108	112.1 Å²	112.1	58%	0.578	63%	0.627	S	S	*	*			trans	-75.4	115	178.6	-168.4	-28.2	0	0	0	109.8	S640	D638-S640 PolarHBondContact O-N 2.65Å; D638-S640 VanDerWaalsContact OD1-CB 3.3Å; D638-S640 WeakPolarHBondContact OD1-CB 3.07Å; D638-S640 PolarHBondContact OD1-N 2.74Å; D638-S640 PolarHBondContact OD1-OG 2.91Å; D638-S640 PolarHBondContact OD2-OG 3.32Å
639	P	39	Very low	39.3	Very low	94 Å²	94	115.5 Å²	115.5	61%	0.61	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-66.7	-17.8	-176.8	-20.3	34.2	0	0	0	113.6	F637 F641 F642	F637-P639 VanDerWaalsContact O-CD 3.28Å; F637-P639 WeakPolarHBondContact O-CD 3.41Å; P639-F641 PolarHBondContact O-N 3.1Å; P639-F642 PolarHBondContact O-N 3.24Å
640	S	39.2	Very low	39	Very low	80 Å²	80	117.2 Å²	117.2	56%	0.559	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-64.2	-11.3	-177	63.8	0	0	0	0	114.3	D638	D638-S640 PolarHBondContact O-N 2.65Å; D638-S640 VanDerWaalsContact OD1-CB 3.3Å; D638-S640 WeakPolarHBondContact OD1-CB 3.07Å; D638-S640 PolarHBondContact OD1-N 2.74Å; D638-S640 PolarHBondContact OD1-OG 2.91Å; D638-S640 PolarHBondContact OD2-OG 3.32Å
641	F	39.3	Very low	38.8	Very low	161 Å²	161	119.7 Å²	119.7	71%	0.706	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-82.8	-5.7	179.4	-114.6	-83.9	0	0	0	115.7	P639	P639-F641 PolarHBondContact O-N 3.1Å
642	F	40.3	Very low	39.1	Very low	144 Å²	144	120.4 Å²	120.4	63%	0.632	68%	0.678	S	S	*	*	S	Bend	trans	-111.7	-11.7	-173.3	-80	-86.1	0	0	0	115.6	P639 D644 I645	P639-F642 PolarHBondContact O-N 3.24Å; F642-D644 PolarHBondContact O-N 3.34Å; F642-D644 VanDerWaalsContact O-N 3.11Å; F642-I645 HydrophobicContact CD1-CD1 4.14Å; F642-I645 HydrophobicContact CE1-CD1 4.49Å; F642-I645 PolarHBondContact O-N 3.14Å
643	S	38.9	Very low	39.2	Very low	92 Å²	92	125.4 Å²	125.4	64%	0.643	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-18.4	-176.4	-51.8	0	0	0	0	115.1
644	D	37.7	Very low	39.4	Very low	136 Å²	136	131.1 Å²	131.1	73%	0.727	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	2.8	-177.6	-70.4	-15.9	0	0	0	114.5	F642	F642-D644 PolarHBondContact O-N 3.34Å; F642-D644 VanDerWaalsContact O-N 3.11Å
645	I	39.3	Very low	39.2	Very low	91 Å²	91	132.1 Å²	132.1	47%	0.467	72%	0.715	S	S	.	*			trans	-101.6	0.4	-170.1	-58.1	-179	0	0	0	112.9	F642 V647	F642-I645 HydrophobicContact CD1-CD1 4.14Å; F642-I645 HydrophobicContact CE1-CD1 4.49Å; F642-I645 PolarHBondContact O-N 3.14Å; I645-V647 PolarHBondContact O-N 3.31Å
646	C	36.8	Very low	39.5	Very low	99 Å²	99	138.9 Å²	138.9	67%	0.669	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-62	126.7	172.9	-66.2	0	0	0	0	111.5
647	V	40.1	Very low	39.8	Very low	133 Å²	133	136.4 Å²	136.4	81%	0.806	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-73.3	131	177	177.9	0	0	0	0	108.1	I645 V649	I645-V647 PolarHBondContact O-N 3.31Å; V647-V649 PolarHBondContact O-N 3.24Å
648	G	33	Very low	40	Very low	58 Å²	58	135.3 Å²	135.3	60%	0.598	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-63.6	132.1	177.9	0	0	0	0	0	111.3
649	V	37.5	Very low	40.4	Very low	129 Å²	129	136.8 Å²	136.8	78%	0.782	76%	0.76	S	S	*	*			trans	-106.3	131	158.2	-168.7	0	0	0	0	104.7	V647 D651	V647-V649 PolarHBondContact O-N 3.24Å; V649-D651 PolarHBondContact O-N 3.5Å
650	D	37.5	Very low	40.5	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	77%	0.768	S	S	*	*			trans	-70.9	128.5	-175.5	-56.4	-63.6	0	0	0	110.9	D652	D650-D652 VanDerWaalsContact C-N 3.25Å; D650-D652 PolarHBondContact O-N 3.09Å
651	D	43.3	Very low	40.5	Very low	161 Å²	161	143 Å²	143	86%	0.861	78%	0.781	S	S	*	*	S	Bend	trans	-77.6	1.1	-173.4	-80	-50.8	0	0	0	114.5	V649 F653	V649-D651 PolarHBondContact O-N 3.5Å; D651-F653 VanDerWaalsContact C-N 3.35Å; D651-F653 PolarHBondContact O-N 3.39Å
652	D	49.5	Very low	40.6	Very low	159 Å²	159	141.8 Å²	141.8	85%	0.85	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	7.5	-168.2	-74.7	-34.5	0	0	0	115.8	D650	D650-D652 VanDerWaalsContact C-N 3.25Å; D650-D652 PolarHBondContact O-N 3.09Å
653	F	47.3	Very low	40.6	Very low	188 Å²	188	141.6 Å²	141.6	83%	0.825	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	11.2	-172.3	-142.6	-96.1	0	0	0	116.5	D651	D651-F653 VanDerWaalsContact C-N 3.35Å; D651-F653 PolarHBondContact O-N 3.39Å
654	F	42.9	Very low	40.8	Very low	200 Å²	200	145.5 Å²	145.5	88%	0.877	81%	0.809	S	S	*	*			trans	-124.5	67.7	175.9	-86.7	-81.4	0	0	0	112.8
655	Q	37.6	Very low	41	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	82%	0.816	S	S	*	*			trans	-155.9	66.9	169.3	-122.5	161.4	81.8	0	0	113.5
656	S	47.6	Very low	41.2	Very low	195 Å²	195	151.3 Å²	151.3	100%	1.364	85%	0.848	S	S	*	*			trans	-157.2	0	162.8	67.3	0	0	0	0	111.6

Retrieved 656 of 656 residues in 79.3 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).