A0A3Q0KTX3_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	46.6	Very low	224 Å²	224	141.6 Å²	141.6	100%	1.103	79%	0.789	S	S	*	*				0	95.7	0	-165.8	171.7	174.9	0	0	106.5
2	V	42.7	Very low	46.6	Very low	135 Å²	135	149.1 Å²	149.1	82%	0.818	80%	0.796	S	S	*	*			trans	-86.9	116	-173.6	179.6	0	0	0	0	106.9	D4	V2-D4 PolarHBondContact O-N 2.74Å
3	M	44	Very low	46.7	Very low	149 Å²	149	149.7 Å²	149.7	73%	0.734	79%	0.791	S	S	*	*			trans	-69.3	106.8	176.2	-73.3	-76.2	171.7	0	0	108	S5	M3-S5 VanDerWaalsContact C-N 3.35Å; M3-S5 PolarHBondContact O-N 3.05Å
4	D	48.2	Very low	47.3	Very low	153 Å²	153	149 Å²	149	82%	0.818	79%	0.787	S	S	*	*			trans	-59.5	102	168.9	-75.8	-35	0	0	0	107.6	V2 E6	V2-D4 PolarHBondContact O-N 2.74Å; D4-E6 PolarHBondContact O-N 3.36Å
5	S	49.4	Very low	47.4	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	79%	0.786	S	S	*	*			trans	-72.4	98.6	176.7	0.4	0	0	0	0	105.6	M3 I7	M3-S5 VanDerWaalsContact C-N 3.35Å; M3-S5 PolarHBondContact O-N 3.05Å; S5-I7 VanDerWaalsContact C-N 3.32Å; S5-I7 PolarHBondContact O-N 2.82Å
6	E	45.2	Very low	47.4	Very low	190 Å²	190	148.7 Å²	148.7	89%	0.888	78%	0.782	S	S	*	*			trans	-57	99.8	170.1	-78.2	-175.7	153.8	0	0	108.2	D4 S8	D4-E6 PolarHBondContact O-N 3.36Å; E6-S8 VanDerWaalsContact C-N 3.28Å; E6-S8 PolarHBondContact O-N 2.74Å
7	I	44.6	Very low	47.5	Very low	130 Å²	130	146.9 Å²	146.9	67%	0.667	78%	0.783	S	S	*	*			trans	-67	95.1	173.9	-66.8	163.6	0	0	0	106.1	S5 F9	S5-I7 VanDerWaalsContact C-N 3.32Å; S5-I7 PolarHBondContact O-N 2.82Å; I7-F9 HydrophobicContact CG2-CE1 4.41Å; I7-F9 HydrophobicContact CG2-CE2 4.39Å; I7-F9 HydrophobicContact CG2-CZ 4.22Å; I7-F9 WeakPolarHBondContact O-CD2 3.09Å; I7-F9 PolarHBondContact O-N 3.13Å; I7-F9 VanDerWaalsContact O-N 3.09Å
8	S	48.1	Very low	47.7	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	78%	0.777	S	S	*	*			trans	-64.1	107	171.7	178.1	0	0	0	0	108.5	E6	E6-S8 VanDerWaalsContact C-N 3.28Å; E6-S8 PolarHBondContact O-N 2.74Å
9	F	47	Very low	47.8	Very low	166 Å²	166	142.1 Å²	142.1	73%	0.728	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.2	133.6	170.4	-67.7	-82.7	0	0	0	108.5	I7 A11	I7-F9 HydrophobicContact CG2-CE1 4.41Å; I7-F9 HydrophobicContact CG2-CE2 4.39Å; I7-F9 HydrophobicContact CG2-CZ 4.22Å; I7-F9 WeakPolarHBondContact O-CD2 3.09Å; I7-F9 PolarHBondContact O-N 3.13Å; I7-F9 VanDerWaalsContact O-N 3.09Å; F9-A11 PolarHBondContact O-N 3.09Å
10	P	51.5	Low	48	Very low	112 Å²	112	141.8 Å²	141.8	73%	0.727	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-56.7	122.3	173	22.5	-31	0	0	0	108.4	R12	P10-R12 PolarHBondContact O-N 2.75Å
11	A	52.8	Low	48.2	Very low	85 Å²	85	139.4 Å²	139.4	70%	0.702	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-52.8	119.6	175.1	0	0	0	0	0	107.4	F9 Q13	F9-A11 PolarHBondContact O-N 3.09Å; A11-Q13 PolarHBondContact O-N 2.93Å
12	R	46.2	Very low	49.1	Very low	231 Å²	231	135.4 Å²	135.4	87%	0.872	75%	0.753	S	S	*	*			trans	-69.4	71.5	175.2	-62	177	-169.6	-104.3	-1	108	P10 L14	P10-R12 PolarHBondContact O-N 2.75Å; R12-L14 PolarHBondContact O-N 2.76Å
13	Q	48.3	Very low	50.3	Low	157 Å²	157	134 Å²	134	73%	0.734	74%	0.74	S	S	*	*			trans	-72	83.8	168.1	-87.4	-176.3	-17.8	0	0	107.3	A11 F15	A11-Q13 PolarHBondContact O-N 2.93Å; Q13-F15 VanDerWaalsContact C-N 3.26Å; Q13-F15 PolarHBondContact O-N 3.32Å
14	L	54.2	Low	51.9	Low	140 Å²	140	131 Å²	131	73%	0.733	73%	0.727	S	S	*	*			trans	-71	91.3	164.7	-69.4	170.6	0	0	0	106.6	R12	R12-L14 PolarHBondContact O-N 2.76Å
15	F	48.8	Very low	53.3	Low	177 Å²	177	132 Å²	132	78%	0.776	72%	0.723	S	S	*	*			trans	62.8	107.7	168.3	-49.1	-79.8	0	0	0	114.8	Q13 C17	Q13-F15 VanDerWaalsContact C-N 3.26Å; Q13-F15 PolarHBondContact O-N 3.32Å; F15-C17 PolarHBondContact O-N 2.88Å
16	T	47.8	Very low	54.8	Low	116 Å²	116	131.5 Å²	131.5	71%	0.712	72%	0.716	S	S	*	*			trans	-67.4	103.6	158	42	0	0	0	0	107.6	S18	T16-S18 VanDerWaalsContact C-N 3.35Å; T16-S18 PolarHBondContact O-N 3.49Å
17	C	50.1	Low	56.5	Low	119 Å²	119	127.8 Å²	127.8	80%	0.804	70%	0.702	S	S	*	*			trans	-62.8	100.4	167.6	-71.6	0	0	0	0	107.5	F15 S19	F15-C17 PolarHBondContact O-N 2.88Å; C17-S19 PolarHBondContact O-N 2.94Å
18	S	51.1	Low	58.2	Low	96 Å²	96	123.8 Å²	123.8	67%	0.671	68%	0.682	S	S	*	*			trans	-55.3	106.9	164.9	165.5	0	0	0	0	107.5	T16 N20	T16-S18 VanDerWaalsContact C-N 3.35Å; T16-S18 PolarHBondContact O-N 3.49Å; S18-N20 PolarHBondContact O-N 2.99Å; S18-N20 VanDerWaalsContact O-N 3.1Å
19	S	49.6	Very low	59.8	Low	105 Å²	105	122.8 Å²	122.8	73%	0.734	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	0.9	-174.5	53.2	0	0	0	0	113.6	C17	C17-S19 PolarHBondContact O-N 2.94Å
20	N	51.6	Low	61.7	Low	137 Å²	137	122.6 Å²	122.6	73%	0.733	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	3.6	-167.2	-62.3	-6.2	0	0	0	113.6	S18 T22	S18-N20 PolarHBondContact O-N 2.99Å; S18-N20 VanDerWaalsContact O-N 3.1Å; N20-T22 PolarHBondContact O-N 2.8Å
21	C	52.2	Low	63.5	Low	92 Å²	92	123.9 Å²	123.9	62%	0.622	66%	0.664	S	S	*	*			trans	-88.3	83.7	169.7	-162.9	0	0	0	0	108.9	M23	C21-M23 PolarHBondContact O-N 2.69Å; C21-M23 WeakPolarHBondContact SG-CG 3.32Å
22	T	58.9	Low	65.1	Low	139 Å²	139	127.7 Å²	127.7	85%	0.853	66%	0.66	S	S	*	*			trans	-67.1	75.3	156.8	46.6	0	0	0	0	107.3	N20 D24	N20-T22 PolarHBondContact O-N 2.8Å; T22-D24 PolarHBondContact O-N 3.15Å
23	M	66.8	Low	67.2	Low	107 Å²	107	122 Å²	122	53%	0.527	64%	0.643	S	S	.	*			trans	-62.8	121.7	167.9	-94.8	-134.4	-79.4	0	0	107.3	C21 K25 L28	C21-M23 PolarHBondContact O-N 2.69Å; C21-M23 WeakPolarHBondContact SG-CG 3.32Å; M23-K25 PolarHBondContact O-N 3.14Å; M23-L28 HydrophobicContact CE-CD1 3.81Å; M23-L28 HydrophobicContact CE-CD2 3.95Å; M23-L28 HydrophobicContact CE-CG 4.38Å; M23-L28 HydrophobicContact SD-CD1 4.29Å
24	D	76.9	Confident	69.3	Low	86 Å²	86	120.1 Å²	120.1	46%	0.46	63%	0.634	S	S	.	*			trans	-54.8	112.2	170.3	178.7	-1.2	0	0	0	108.7	T22 T26 L27 L28	T22-D24 PolarHBondContact O-N 3.15Å; D24-T26 PolarHBondContact O-N 3.48Å; D24-T26 WeakPolarHBondContact OD1-CB 2.94Å; D24-T26 PolarHBondContact OD1-N 3.35Å; D24-T26 PolarHBondContact OD1-OG1 2.85Å; D24-T26 PolarHBondContact OD2-OG1 2.87Å; D24-L27 HydrophobicContact CB-CB 3.93Å; D24-L27 PolarHBondContact O-N 2.08Å; D24-L27 VanDerWaalsContact O-N 3.17Å; D24-L28 PolarHBondContact O-N 2.99Å
25	K	78.8	Confident	71	Confident	173 Å²	173	119.6 Å²	119.6	75%	0.752	63%	0.628	S	S	*	*	H	α-helix	trans	-59.2	-31.7	-178.3	-68.1	-179.9	179.5	175	0	111	M23 T29	M23-K25 PolarHBondContact O-N 3.14Å; K25-T29 WeakPolarHBondContact O-CB 3.45Å; K25-T29 VanDerWaalsContact O-CG2 3.28Å; K25-T29 WeakPolarHBondContact O-CG2 3.49Å; K25-T29 PolarHBondContact O-N 3.17Å; K25-T29 PolarHBondContact O-OG1 2.77Å
26	T	80.1	Confident	72.9	Confident	94 Å²	94	113.2 Å²	113.2	58%	0.577	61%	0.609	S	S	*	*	H	α-helix	trans	-71.2	-42	179.5	71.7	0	0	0	0	111	D24 T29 K30	D24-T26 PolarHBondContact O-N 3.48Å; D24-T26 WeakPolarHBondContact OD1-CB 2.94Å; D24-T26 PolarHBondContact OD1-N 3.35Å; D24-T26 PolarHBondContact OD1-OG1 2.85Å; D24-T26 PolarHBondContact OD2-OG1 2.87Å; T26-T29 WeakPolarHBondContact CA-OG1 3.31Å; T26-T29 PolarHBondContact O-N 3.01Å; T26-T29 PolarHBondContact O-OG1 3.07Å; T26-K30 WeakPolarHBondContact O-CB 3.47Å; T26-K30 PolarHBondContact O-N 3.44Å
27	L	81.7	Confident	75	Confident	112 Å²	112	111.4 Å²	111.4	59%	0.586	60%	0.595	S	S	*	*	H	α-helix	trans	-63	-45.1	174.2	-166	104.5	0	0	0	111.6	D24 K30 K31	D24-L27 HydrophobicContact CB-CB 3.93Å; D24-L27 PolarHBondContact O-N 2.08Å; D24-L27 VanDerWaalsContact O-N 3.17Å; L27-K30 PolarHBondContact O-N 3.24Å; L27-K31 WeakPolarHBondContact O-CB 3.32Å; L27-K31 PolarHBondContact O-N 3.13Å
28	L	80.7	Confident	77	Confident	46 Å²	46	108.6 Å²	108.6	24%	0.241	57%	0.571	C	S	.	*	H	α-helix	trans	-63.9	-43.6	179.5	-179	63.1	0	0	0	112.1	M23 D24 K31 R32	M23-L28 HydrophobicContact CE-CD1 3.81Å; M23-L28 HydrophobicContact CE-CD2 3.95Å; M23-L28 HydrophobicContact CE-CG 4.38Å; M23-L28 HydrophobicContact SD-CD1 4.29Å; D24-L28 PolarHBondContact O-N 2.99Å; L28-K31 PolarHBondContact O-N 2.95Å; L28-R32 WeakPolarHBondContact O-CG 3.31Å; L28-R32 PolarHBondContact O-N 2.89Å
29	T	79.9	Confident	78.8	Confident	89 Å²	89	106.9 Å²	106.9	55%	0.546	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-43	178.3	46	0	0	0	0	111.4	K25 T26 K31 R32 Q33	K25-T29 WeakPolarHBondContact O-CB 3.45Å; K25-T29 VanDerWaalsContact O-CG2 3.28Å; K25-T29 WeakPolarHBondContact O-CG2 3.49Å; K25-T29 PolarHBondContact O-N 3.17Å; K25-T29 PolarHBondContact O-OG1 2.77Å; T26-T29 WeakPolarHBondContact CA-OG1 3.31Å; T26-T29 PolarHBondContact O-N 3.01Å; T26-T29 PolarHBondContact O-OG1 3.07Å; T29-K31 PolarHBondContact O-N 2.87Å; T29-R32 PolarHBondContact O-N 2.68Å; T29-Q33 WeakPolarHBondContact O-CB 3.3Å; T29-Q33 PolarHBondContact O-N 3.2Å
30	K	87.7	Confident	80.6	Confident	162 Å²	162	107 Å²	107	70%	0.704	55%	0.554	S	S	*	*	H	α-helix	trans	-59.7	-43.9	174	-170.1	176.6	-178.6	179.3	0	112.2	T26 L27 Q33 Q34	T26-K30 WeakPolarHBondContact O-CB 3.47Å; T26-K30 PolarHBondContact O-N 3.44Å; L27-K30 PolarHBondContact O-N 3.24Å; K30-Q33 PolarHBondContact O-N 3.17Å; K30-Q34 WeakPolarHBondContact O-CB 3.29Å; K30-Q34 PolarHBondContact O-N 3.4Å
31	K	89.3	Confident	82.3	Confident	139 Å²	139	107.2 Å²	107.2	60%	0.604	55%	0.545	S	S	*	.	H	α-helix	trans	-62.4	-44.6	177.2	-172.6	176.6	-179.2	177.8	0	112.2	L27 L28 T29 Q34 E35	L27-K31 WeakPolarHBondContact O-CB 3.32Å; L27-K31 PolarHBondContact O-N 3.13Å; L28-K31 PolarHBondContact O-N 2.95Å; T29-K31 PolarHBondContact O-N 2.87Å; K31-Q34 PolarHBondContact O-N 2.94Å; K31-E35 WeakPolarHBondContact O-CB 3.02Å; K31-E35 PolarHBondContact O-N 3.32Å
32	R	86.2	Confident	83.9	Confident	165 Å²	165	106.1 Å²	106.1	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-65.3	-38.9	177.3	-74.7	-175.7	178.7	-175.4	0.9	112.5	L28 T29 E35 A36	L28-R32 WeakPolarHBondContact O-CG 3.31Å; L28-R32 PolarHBondContact O-N 2.89Å; T29-R32 PolarHBondContact O-N 2.68Å; R32-E35 PolarHBondContact O-N 3.3Å; R32-A36 WeakPolarHBondContact O-CB 3.23Å; R32-A36 PolarHBondContact O-N 2.87Å
33	Q	91.2	Very high	85	Confident	110 Å²	110	102.2 Å²	102.2	51%	0.514	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-47.5	175.5	-172.6	60	46	0	0	110.7	T29 K30 E35 A36 D37	T29-Q33 WeakPolarHBondContact O-CB 3.3Å; T29-Q33 PolarHBondContact O-N 3.2Å; K30-Q33 PolarHBondContact O-N 3.17Å; Q33-E35 VanDerWaalsContact C-N 3.29Å; Q33-E35 PolarHBondContact O-N 3.13Å; Q33-A36 WeakPolarHBondContact O-CB 3.31Å; Q33-A36 PolarHBondContact O-N 3.24Å; Q33-A36 VanDerWaalsContact O-N 3.15Å; Q33-D37 PolarHBondContact NE2-OD1 3.25Å; Q33-D37 PolarHBondContact O-N 3.19Å
34	Q	91.6	Very high	85.6	Confident	118 Å²	118	100.3 Å²	100.3	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-60.4	-38.3	177.1	-171.9	178.2	6.6	0	0	112.5	K30 K31 N38	K30-Q34 WeakPolarHBondContact O-CB 3.29Å; K30-Q34 PolarHBondContact O-N 3.4Å; K31-Q34 PolarHBondContact O-N 2.94Å; Q34-N38 WeakPolarHBondContact O-CB 3.35Å; Q34-N38 PolarHBondContact O-N 3.42Å; Q34-N38 PolarHBondContact O-ND2 3.01Å
35	E	89.1	Confident	85.9	Confident	129 Å²	129	100.3 Å²	100.3	60%	0.603	51%	0.508	S	S	*	.	H	α-helix	trans	-65.5	-42.6	175	-173	177	-176.2	0	0	112.1	K31 R32 Q33 N38 A39	K31-E35 WeakPolarHBondContact O-CB 3.02Å; K31-E35 PolarHBondContact O-N 3.32Å; R32-E35 PolarHBondContact O-N 3.3Å; Q33-E35 VanDerWaalsContact C-N 3.29Å; Q33-E35 PolarHBondContact O-N 3.13Å; E35-N38 PolarHBondContact O-N 3.11Å; E35-A39 WeakPolarHBondContact O-CB 3.49Å; E35-A39 PolarHBondContact O-N 2.68Å
36	A	89.7	Confident	86	Confident	44 Å²	44	99.7 Å²	99.7	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-45.5	175.2	0	0	0	0	0	111.6	R32 Q33 N38 A39 I40	R32-A36 WeakPolarHBondContact O-CB 3.23Å; R32-A36 PolarHBondContact O-N 2.87Å; Q33-A36 WeakPolarHBondContact O-CB 3.31Å; Q33-A36 PolarHBondContact O-N 3.24Å; Q33-A36 VanDerWaalsContact O-N 3.15Å; A36-N38 VanDerWaalsContact C-N 3.32Å; A36-N38 PolarHBondContact O-N 3.03Å; A36-A39 PolarHBondContact O-N 3.23Å; A36-I40 VanDerWaalsContact O-CG1 3.31Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.08Å
37	D	92	Very high	85.8	Confident	78 Å²	78	100.3 Å²	100.3	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-39.9	178.2	-63	-21.9	0	0	0	111.2	Q33 I40 R41	Q33-D37 PolarHBondContact NE2-OD1 3.25Å; Q33-D37 PolarHBondContact O-N 3.19Å; D37-I40 PolarHBondContact O-N 3.34Å; D37-R41 WeakPolarHBondContact O-CB 3.42Å; D37-R41 PolarHBondContact O-N 2.96Å
38	N	92.8	Very high	85.6	Confident	59 Å²	59	98 Å²	98	32%	0.316	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-41	174	-76.5	-23.1	0	0	0	112.7	Q34 E35 A36 R41 S42	Q34-N38 WeakPolarHBondContact O-CB 3.35Å; Q34-N38 PolarHBondContact O-N 3.42Å; Q34-N38 PolarHBondContact O-ND2 3.01Å; E35-N38 PolarHBondContact O-N 3.11Å; A36-N38 VanDerWaalsContact C-N 3.32Å; A36-N38 PolarHBondContact O-N 3.03Å; N38-R41 PolarHBondContact OD1-NH2 3.37Å; N38-S42 WeakPolarHBondContact O-CB 3.03Å; N38-S42 PolarHBondContact O-N 3.14Å; N38-S42 PolarHBondContact O-OG 3.01Å
39	A	89.1	Confident	85.4	Confident	61 Å²	61	105.1 Å²	105.1	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-40.7	178.1	0	0	0	0	0	111.7	E35 A36 S42 S43	E35-A39 WeakPolarHBondContact O-CB 3.49Å; E35-A39 PolarHBondContact O-N 2.68Å; A36-A39 PolarHBondContact O-N 3.23Å; A39-S42 PolarHBondContact O-N 2.99Å; A39-S43 VanDerWaalsContact O-CB 3.3Å; A39-S43 WeakPolarHBondContact O-CB 3.4Å; A39-S43 PolarHBondContact O-N 2.99Å
40	I	87.3	Confident	85.4	Confident	106 Å²	106	106.4 Å²	106.4	54%	0.544	51%	0.507	S	S	.	.	H	α-helix	trans	-61	-52	174.3	-68.9	166.4	0	0	0	109.6	A36 D37 S42 S43 T44	A36-I40 VanDerWaalsContact O-CG1 3.31Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.08Å; D37-I40 PolarHBondContact O-N 3.34Å; I40-S42 PolarHBondContact O-N 2.73Å; I40-S43 WeakPolarHBondContact O-CB 3.43Å; I40-S43 PolarHBondContact O-N 3.08Å; I40-S43 VanDerWaalsContact O-N 3.15Å; I40-T44 PolarHBondContact O-N 3.1Å; I40-T44 PolarHBondContact O-OG1 2.85Å; I40-T44 VanDerWaalsContact O-OG1 3.1Å
41	R	87.3	Confident	84.8	Confident	143 Å²	143	105.6 Å²	105.6	54%	0.54	50%	0.501	S	S	.	.	H	α-helix	trans	-56.6	-47.9	178.2	177.2	171.7	54.1	169.6	-1.8	112.4	D37 N38 S43 T44 E45	D37-R41 WeakPolarHBondContact O-CB 3.42Å; D37-R41 PolarHBondContact O-N 2.96Å; N38-R41 PolarHBondContact OD1-NH2 3.37Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.94Å; R41-T44 PolarHBondContact O-N 3.09Å; R41-E45 WeakPolarHBondContact CG-OE1 3.19Å; R41-E45 WeakPolarHBondContact O-CG 3.39Å; R41-E45 PolarHBondContact O-N 3.2Å
42	S	85.7	Confident	83.9	Confident	69 Å²	69	105.8 Å²	105.8	48%	0.483	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-38.6	178.4	-57.2	0	0	0	0	112.3	N38 A39 I40 R46	N38-S42 WeakPolarHBondContact O-CB 3.03Å; N38-S42 PolarHBondContact O-N 3.14Å; N38-S42 PolarHBondContact O-OG 3.01Å; A39-S42 PolarHBondContact O-N 2.99Å; I40-S42 PolarHBondContact O-N 2.73Å; S42-R46 WeakPolarHBondContact O-CB 3.47Å; S42-R46 PolarHBondContact O-N 3.45Å
43	S	80.6	Confident	82.9	Confident	56 Å²	56	101.1 Å²	101.1	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-48.9	175.5	-170.5	0	0	0	0	110.6	A39 I40 R41 E45 R46 F47	A39-S43 VanDerWaalsContact O-CB 3.3Å; A39-S43 WeakPolarHBondContact O-CB 3.4Å; A39-S43 PolarHBondContact O-N 2.99Å; I40-S43 WeakPolarHBondContact O-CB 3.43Å; I40-S43 PolarHBondContact O-N 3.08Å; I40-S43 VanDerWaalsContact O-N 3.15Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.94Å; S43-E45 PolarHBondContact O-N 2.96Å; S43-R46 WeakPolarHBondContact O-CB 3.39Å; S43-R46 PolarHBondContact O-N 3.4Å; S43-R46 VanDerWaalsContact O-N 3.12Å; S43-F47 WeakPolarHBondContact O-CD2 3.42Å; S43-F47 PolarHBondContact O-N 3.05Å; S43-F47 WeakPolarHBondContact OG-CE2 3.31Å
44	T	79.7	Confident	81.7	Confident	67 Å²	67	100 Å²	100	41%	0.411	49%	0.493	S	S	.	.	H	α-helix	trans	-59.8	-45.1	178.2	-59.4	0	0	0	0	111.9	I40 R41 R46 F47 Q48	I40-T44 PolarHBondContact O-N 3.1Å; I40-T44 PolarHBondContact O-OG1 2.85Å; I40-T44 VanDerWaalsContact O-OG1 3.1Å; R41-T44 PolarHBondContact O-N 3.09Å; T44-R46 VanDerWaalsContact C-N 3.29Å; T44-R46 PolarHBondContact O-N 3.05Å; T44-F47 PolarHBondContact O-N 3.17Å; T44-Q48 WeakPolarHBondContact O-CB 3.3Å; T44-Q48 PolarHBondContact O-N 2.85Å
45	E	82.8	Confident	80.2	Confident	87 Å²	87	96.7 Å²	96.7	41%	0.407	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-35.7	175.4	-74.6	173.6	-164.5	0	0	112.7	R41 S43 R49	R41-E45 WeakPolarHBondContact CG-OE1 3.19Å; R41-E45 WeakPolarHBondContact O-CG 3.39Å; R41-E45 PolarHBondContact O-N 3.2Å; S43-E45 PolarHBondContact O-N 2.96Å; E45-R49 PolarHBondContact O-N 2.78Å; E45-R49 PolarHBondContact O-NE 3.46Å
46	R	81.1	Confident	78.7	Confident	159 Å²	159	96.4 Å²	96.4	60%	0.6	48%	0.483	S	S	*	.	H	α-helix	trans	-68.9	-43.7	175.6	-176.1	-178.3	176.3	-165.4	-0.2	111.2	S42 S43 T44 R49 M50	S42-R46 WeakPolarHBondContact O-CB 3.47Å; S42-R46 PolarHBondContact O-N 3.45Å; S43-R46 WeakPolarHBondContact O-CB 3.39Å; S43-R46 PolarHBondContact O-N 3.4Å; S43-R46 VanDerWaalsContact O-N 3.12Å; T44-R46 VanDerWaalsContact C-N 3.29Å; T44-R46 PolarHBondContact O-N 3.05Å; R46-R49 PolarHBondContact O-N 2.87Å; R46-M50 HydrophobicContact CG-SD 4.24Å; R46-M50 WeakPolarHBondContact O-CB 3.39Å; R46-M50 WeakPolarHBondContact O-CG 3.41Å; R46-M50 PolarHBondContact O-N 3.33Å
47	F	76.6	Confident	76.9	Confident	107 Å²	107	96.2 Å²	96.2	47%	0.469	48%	0.479	S	S	.	.	H	α-helix	trans	-63.1	-42.9	175.4	-84.3	-71.1	0	0	0	111.5	S43 T44 R49 M50 Y51	S43-F47 WeakPolarHBondContact O-CD2 3.42Å; S43-F47 PolarHBondContact O-N 3.05Å; S43-F47 WeakPolarHBondContact OG-CE2 3.31Å; T44-F47 PolarHBondContact O-N 3.17Å; F47-R49 VanDerWaalsContact C-N 3.35Å; F47-R49 PolarHBondContact O-N 3.06Å; F47-M50 PolarHBondContact O-N 3Å; F47-Y51 AromaticContact CD1-CD2 3.95Å; F47-Y51 HydrophobicContact CD1-CD2 3.95Å; F47-Y51 AromaticContact CD1-CE2 3.71Å; F47-Y51 HydrophobicContact CD1-CE2 3.71Å; F47-Y51 HydrophobicContact CE1-CE2 4.09Å; F47-Y51 WeakPolarHBondContact O-CD2 3.39Å; F47-Y51 PolarHBondContact O-N 2.98Å
48	Q	77	Confident	75	Confident	64 Å²	64	99 Å²	99	30%	0.299	49%	0.487	S	S	.	.	H	α-helix	trans	-58.9	-45.3	176.1	178.3	157.3	30.3	0	0	111.6	T44 D52 I53 T55	T44-Q48 WeakPolarHBondContact O-CB 3.3Å; T44-Q48 PolarHBondContact O-N 2.85Å; Q48-D52 VanDerWaalsContact O-CA 3.31Å; Q48-D52 WeakPolarHBondContact O-CA 3.29Å; Q48-D52 PolarHBondContact O-N 3.43Å; Q48-I53 VanDerWaalsContact CG-O 3.31Å; Q48-I53 WeakPolarHBondContact CG-O 3.37Å; Q48-I53 PolarHBondContact NE2-O 3.46Å; Q48-I53 PolarHBondContact O-N 3.22Å; Q48-T55 PolarHBondContact NE2-OG1 3.38Å; Q48-T55 VanDerWaalsContact NE2-OG1 3.09Å
49	R	77.1	Confident	72.8	Confident	195 Å²	195	100.9 Å²	100.9	74%	0.736	50%	0.501	S	S	*	.	H	α-helix	trans	-67.3	-33.7	175.2	-80.6	-175.4	-82.6	161.8	-13.2	114.1	E45 R46 F47	E45-R49 PolarHBondContact O-N 2.78Å; E45-R49 PolarHBondContact O-NE 3.46Å; R46-R49 PolarHBondContact O-N 2.87Å; F47-R49 VanDerWaalsContact C-N 3.35Å; F47-R49 PolarHBondContact O-N 3.06Å
50	M	78.8	Confident	70.7	Confident	116 Å²	116	101.8 Å²	101.8	57%	0.571	50%	0.502	S	S	*	.	H	α-helix	trans	-75.9	-35.3	-177.7	-84.5	-178.5	156.2	0	0	113.4	R46 F47	R46-M50 HydrophobicContact CG-SD 4.24Å; R46-M50 WeakPolarHBondContact O-CB 3.39Å; R46-M50 WeakPolarHBondContact O-CG 3.41Å; R46-M50 PolarHBondContact O-N 3.33Å; F47-M50 PolarHBondContact O-N 3Å
51	Y	75.2	Confident	68.6	Low	146 Å²	146	102.9 Å²	102.9	57%	0.573	51%	0.509	S	S	*	.	H	α-helix	trans	-116.5	7.6	-171.5	-65.4	-77.5	0	0	0	113.6	F47 I53	F47-Y51 AromaticContact CD1-CD2 3.95Å; F47-Y51 HydrophobicContact CD1-CD2 3.95Å; F47-Y51 AromaticContact CD1-CE2 3.71Å; F47-Y51 HydrophobicContact CD1-CE2 3.71Å; F47-Y51 HydrophobicContact CE1-CE2 4.09Å; F47-Y51 WeakPolarHBondContact O-CD2 3.39Å; F47-Y51 PolarHBondContact O-N 2.98Å; Y51-I53 HydrophobicContact CG-CD1 4.33Å; Y51-I53 PolarHBondContact O-N 3.16Å; Y51-I53 VanDerWaalsContact O-N 3.11Å
52	D	71.2	Confident	66.7	Low	142 Å²	142	105.8 Å²	105.8	76%	0.759	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	38.6	-175.7	-151.5	16	0	0	0	112.8	Q48 N54	Q48-D52 VanDerWaalsContact O-CA 3.31Å; Q48-D52 WeakPolarHBondContact O-CA 3.29Å; Q48-D52 PolarHBondContact O-N 3.43Å; D52-N54 PolarHBondContact O-N 2.89Å
53	I	65.6	Low	64.7	Low	68 Å²	68	106.8 Å²	106.8	35%	0.349	53%	0.534	S	S	.	.			trans	-79.8	109.8	-176.5	-63.7	168.5	0	0	0	108.1	Q48 Y51 T55 F58	Q48-I53 VanDerWaalsContact CG-O 3.31Å; Q48-I53 WeakPolarHBondContact CG-O 3.37Å; Q48-I53 PolarHBondContact NE2-O 3.46Å; Q48-I53 PolarHBondContact O-N 3.22Å; Y51-I53 HydrophobicContact CG-CD1 4.33Å; Y51-I53 PolarHBondContact O-N 3.16Å; Y51-I53 VanDerWaalsContact O-N 3.11Å; I53-T55 PolarHBondContact O-N 3.25Å; I53-F58 HydrophobicContact CG2-CE2 4.42Å
54	N	65.8	Low	62.9	Low	86 Å²	86	108 Å²	108	46%	0.46	54%	0.543	S	S	.	.			trans	-71.1	101	172.2	-167.5	-5.5	0	0	0	110.5	D52 N56 C57	D52-N54 PolarHBondContact O-N 2.89Å; N54-N56 PolarHBondContact O-N 3.45Å; N54-N56 WeakPolarHBondContact OD1-CB 3.26Å; N54-N56 PolarHBondContact OD1-N 3.1Å; N54-C57 WeakPolarHBondContact O-CB 3.48Å; N54-C57 PolarHBondContact O-N 2.87Å
55	T	60.1	Low	61	Low	49 Å²	49	113.7 Å²	113.7	30%	0.301	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-69.8	-17.4	178.6	49.4	0	0	0	0	113.4	Q48 I53 C57 F58	Q48-T55 PolarHBondContact NE2-OG1 3.38Å; Q48-T55 VanDerWaalsContact NE2-OG1 3.09Å; I53-T55 PolarHBondContact O-N 3.25Å; T55-C57 PolarHBondContact O-N 2.9Å; T55-C57 VanDerWaalsContact O-N 3.13Å; T55-F58 PolarHBondContact O-N 3.12Å
56	N	58.2	Low	58.8	Low	123 Å²	123	116.1 Å²	116.1	66%	0.658	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-63.1	-18.2	174.1	-67.4	-15.1	0	0	0	112.3	N54 F58 T59	N54-N56 PolarHBondContact O-N 3.45Å; N54-N56 WeakPolarHBondContact OD1-CB 3.26Å; N54-N56 PolarHBondContact OD1-N 3.1Å; N56-F58 PolarHBondContact O-N 3.06Å; N56-T59 PolarHBondContact O-OG1 3.24Å
57	C	50.7	Low	56.7	Low	40 Å²	40	113 Å²	113	27%	0.27	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-63.9	-28.4	171.4	-70.3	0	0	0	0	112.4	N54 T55 C86	N54-C57 WeakPolarHBondContact O-CB 3.48Å; N54-C57 PolarHBondContact O-N 2.87Å; T55-C57 PolarHBondContact O-N 2.9Å; T55-C57 VanDerWaalsContact O-N 3.13Å; C57-C86 WeakPolarHBondContact CB-SG 3.37Å; C57-C86 WeakPolarHBondContact SG-CB 3.43Å; C57-C86 CovalentContact SG-SG 2.08Å; C57-C86 PolarHBondContact SG-SG 3.39Å
58	F	51.9	Low	54.7	Low	136 Å²	136	112.9 Å²	112.9	60%	0.596	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-7.8	-167.7	-65.4	-71.9	0	0	0	114.6	I53 T55 N56 P60	I53-F58 HydrophobicContact CG2-CE2 4.42Å; T55-F58 PolarHBondContact O-N 3.12Å; N56-F58 PolarHBondContact O-N 3.06Å; F58-P60 WeakPolarHBondContact O-CD 3.34Å
59	T	47.4	Very low	52.4	Low	99 Å²	99	119 Å²	119	61%	0.607	62%	0.621	S	S	*	*	S	Bend	trans	-68	106.2	169	37.3	0	0	0	0	107.7	N56 N61	N56-T59 PolarHBondContact O-OG1 3.24Å; T59-N61 PolarHBondContact O-N 3.37Å; T59-N61 VanDerWaalsContact O-N 3.1Å
60	P	45.3	Very low	50.2	Low	80 Å²	80	116.5 Å²	116.5	52%	0.519	62%	0.621	S	S	.	*			trans	-61.1	124.1	176.8	-11.2	28.2	0	0	0	105.4	F58 Y62	F58-P60 WeakPolarHBondContact O-CD 3.34Å; P60-Y62 HydrophobicContact CB-CD2 3.98Å; P60-Y62 HydrophobicContact CB-CE2 3.72Å; P60-Y62 HydrophobicContact CG-CD2 4.32Å; P60-Y62 HydrophobicContact CG-CE2 3.67Å; P60-Y62 VanDerWaalsContact O-CD2 3.23Å; P60-Y62 WeakPolarHBondContact O-CD2 3.17Å; P60-Y62 PolarHBondContact O-N 3.13Å
61	N	42.6	Very low	47.8	Very low	128 Å²	128	115.6 Å²	115.6	68%	0.684	63%	0.626	S	S	*	*			trans	-70.2	79.6	177.5	-155.1	-8.9	0	0	0	107.7	T59 A63 S64	T59-N61 PolarHBondContact O-N 3.37Å; T59-N61 VanDerWaalsContact O-N 3.1Å; N61-A63 PolarHBondContact O-N 3.24Å; N61-S64 PolarHBondContact O-N 2.99Å; N61-S64 VanDerWaalsContact O-N 3.14Å; N61-S64 PolarHBondContact O-OG 2.87Å
62	Y	47	Very low	45.6	Very low	204 Å²	204	115.4 Å²	115.4	80%	0.8	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-2.4	179.2	-79.2	-77.8	0	0	0	112.5	P60 S64	P60-Y62 HydrophobicContact CB-CD2 3.98Å; P60-Y62 HydrophobicContact CB-CE2 3.72Å; P60-Y62 HydrophobicContact CG-CD2 4.32Å; P60-Y62 HydrophobicContact CG-CE2 3.67Å; P60-Y62 VanDerWaalsContact O-CD2 3.23Å; P60-Y62 WeakPolarHBondContact O-CD2 3.17Å; P60-Y62 PolarHBondContact O-N 3.13Å; Y62-S64 PolarHBondContact O-N 3.39Å
63	A	43.2	Very low	43.7	Very low	91 Å²	91	118.2 Å²	118.2	75%	0.752	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-16.3	169.7	0	0	0	0	0	113	N61	N61-A63 PolarHBondContact O-N 3.24Å
64	S	42.7	Very low	42.1	Very low	82 Å²	82	120.6 Å²	120.6	57%	0.573	66%	0.661	S	S	*	*	S	Bend	trans	-103.7	108.1	179	63.8	0	0	0	0	112	N61 Y62	N61-S64 PolarHBondContact O-N 2.99Å; N61-S64 VanDerWaalsContact O-N 3.14Å; N61-S64 PolarHBondContact O-OG 2.87Å; Y62-S64 PolarHBondContact O-N 3.39Å
65	K	40.1	Very low	40.4	Very low	186 Å²	186	124.8 Å²	124.8	81%	0.809	68%	0.678	S	S	*	*			trans	74.4	92.1	162.1	-54	177.7	-178.4	-177	0	114.5	P67	K65-P67 VanDerWaalsContact O-CD 3.29Å; K65-P67 WeakPolarHBondContact O-CD 3.5Å; K65-P67 VanDerWaalsContact O-N 3.09Å
66	T	36.6	Very low	38.9	Very low	137 Å²	137	132.7 Å²	132.7	84%	0.84	71%	0.708	S	S	*	*			trans	-39.8	113.9	143.7	21.6	0	0	0	0	108.6	S68	T66-S68 PolarHBondContact O-N 3.39Å
67	P	38.5	Very low	37.7	Very low	94 Å²	94	133.7 Å²	133.7	61%	0.61	71%	0.713	S	S	*	*			trans	-68.7	107	176.6	25.9	-29.5	0	0	0	107	K65 F69	K65-P67 VanDerWaalsContact O-CD 3.29Å; K65-P67 WeakPolarHBondContact O-CD 3.5Å; K65-P67 VanDerWaalsContact O-N 3.09Å; P67-F69 HydrophobicContact CG-CE2 4.01Å; P67-F69 VanDerWaalsContact O-CD2 3.3Å; P67-F69 WeakPolarHBondContact O-CD2 3.49Å; P67-F69 PolarHBondContact O-N 2.98Å
68	S	33.5	Very low	36.8	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	73%	0.725	S	S	*	*			trans	-63.5	104.6	163.6	59.2	0	0	0	0	106.6	T66 I70	T66-S68 PolarHBondContact O-N 3.39Å; S68-I70 PolarHBondContact O-N 2.94Å
69	F	29.1	Very low	35.8	Very low	192 Å²	192	133.6 Å²	133.6	84%	0.842	73%	0.733	S	S	*	*			trans	-68.6	72.3	173.9	-80.2	-93.6	0	0	0	109.8	P67	P67-F69 HydrophobicContact CG-CE2 4.01Å; P67-F69 VanDerWaalsContact O-CD2 3.3Å; P67-F69 WeakPolarHBondContact O-CD2 3.49Å; P67-F69 PolarHBondContact O-N 2.98Å
70	I	31.7	Very low	35.3	Very low	144 Å²	144	135.1 Å²	135.1	74%	0.738	74%	0.742	S	S	*	*			trans	-143.7	135	169.2	-54	-179.5	0	0	0	109.2	S68	S68-I70 PolarHBondContact O-N 2.94Å
71	S	28.2	Very low	34.8	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	75%	0.754	S	S	*	*	S	Bend	trans	83.6	105.9	163.9	63	0	0	0	0	119.2
72	D	28.9	Very low	34.6	Very low	141 Å²	141	140.6 Å²	140.6	75%	0.754	76%	0.758	S	S	*	*				75.5	102	127	-55.4	-21.9	0	0	0	119.3	T74	D72-T74 PolarHBondContact O-N 3.49Å
73	H	30.6	Very low	34.1	Very low	202 Å²	202	137.3 Å²	137.3	94%	0.935	75%	0.754	S	S	*	*			trans	-54.5	74.6	164	-72.1	-81.3	0	0	0	112.4
74	T	31.5	Very low	33.6	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	75%	0.745	S	S	*	*			trans	-140.1	120.6	159.5	38.7	0	0	0	0	109.9	D72	D72-T74 PolarHBondContact O-N 3.49Å
75	Q	30	Very low	33.3	Very low	175 Å²	175	142 Å²	142	82%	0.818	76%	0.756	S	S	*	*			trans	64.7	76.2	165.5	-61.9	178.8	12.4	0	0	116.8	N77	Q75-N77 PolarHBondContact O-N 3.38Å
76	F	28.7	Very low	33	Very low	214 Å²	214	135.8 Å²	135.8	94%	0.939	74%	0.735	S	S	*	*			trans	-73.9	62.1	151.3	-127.4	-89.7	0	0	0	109.9	G78	F76-G78 PolarHBondContact O-N 3.15Å
77	N	33.4	Very low	32.8	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	73%	0.73	S	S	*	*			trans	-92.3	34.6	161.4	-116.1	-2.1	0	0	0	109.4	Q75 T79	Q75-N77 PolarHBondContact O-N 3.38Å; N77-T79 VanDerWaalsContact C-N 3.32Å; N77-T79 PolarHBondContact O-N 2.94Å
78	G	31.4	Very low	32.7	Very low	49 Å²	49	133.6 Å²	133.6	51%	0.505	73%	0.728	S	S	.	*			trans	-73.4	88.3	177.3	0	0	0	0	0	109.2	F76 V80	F76-G78 PolarHBondContact O-N 3.15Å; G78-V80 PolarHBondContact O-N 2.93Å
79	T	30.4	Very low	32.6	Very low	125 Å²	125	134.6 Å²	134.6	77%	0.767	73%	0.73	S	S	*	*			trans	-44.7	108.7	159.8	-36.5	0	0	0	0	107	N77 K81	N77-T79 VanDerWaalsContact C-N 3.32Å; N77-T79 PolarHBondContact O-N 2.94Å; T79-K81 PolarHBondContact O-N 2.8Å
80	V	37.2	Very low	32.9	Very low	131 Å²	131	129.6 Å²	129.6	79%	0.794	72%	0.716	S	S	*	*			trans	-66	93.8	-179.7	-170.1	0	0	0	0	106.2	G78 N82	G78-V80 PolarHBondContact O-N 2.93Å; V80-N82 PolarHBondContact O-N 2.9Å; V80-N82 VanDerWaalsContact O-N 3.13Å
81	K	36.3	Very low	33	Very low	177 Å²	177	127.6 Å²	127.6	77%	0.77	72%	0.721	S	S	*	*			trans	-62.3	115.8	-179.7	-75.2	-178.2	178.3	179.2	0	107.6	T79	T79-K81 PolarHBondContact O-N 2.8Å
82	N	37.8	Very low	33.2	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	73%	0.727	S	S	*	*			trans	56.5	68.6	154.5	-51.1	-39.5	0	0	0	114.4	V80 P84	V80-N82 PolarHBondContact O-N 2.9Å; V80-N82 VanDerWaalsContact O-N 3.13Å; N82-P84 WeakPolarHBondContact O-CD 3.46Å
83	L	36	Very low	33.2	Very low	135 Å²	135	131 Å²	131	71%	0.707	73%	0.728	S	S	*	*			trans	-62.2	124	153.5	-155.9	73.7	0	0	0	106.5	K85	L83-K85 PolarHBondContact O-N 3.28Å; L83-K85 VanDerWaalsContact O-N 3.09Å
84	P	34.1	Very low	33.1	Very low	87 Å²	87	126.9 Å²	126.9	57%	0.565	72%	0.718	S	S	*	*			trans	-56.9	121.2	-179.3	20.4	-29.7	0	0	0	108.5	N82 C86	N82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-C86 PolarHBondContact O-N 2.95Å
85	K	35.2	Very low	33.2	Very low	184 Å²	184	128.9 Å²	128.9	80%	0.8	72%	0.719	S	S	*	*			trans	-53.9	101.5	173.8	-82.4	177.4	173.8	179.9	0	107.7	L83 S87	L83-K85 PolarHBondContact O-N 3.28Å; L83-K85 VanDerWaalsContact O-N 3.09Å; K85-S87 VanDerWaalsContact C-N 3.34Å; K85-S87 PolarHBondContact O-N 3.25Å
86	C	33.8	Very low	33.3	Very low	57 Å²	57	126.9 Å²	126.9	39%	0.385	71%	0.714	S	S	.	*			trans	-67.8	103.7	164.5	-50.1	0	0	0	0	105	C57 P84 S88	C57-C86 WeakPolarHBondContact CB-SG 3.37Å; C57-C86 WeakPolarHBondContact SG-CB 3.43Å; C57-C86 CovalentContact SG-SG 2.08Å; C57-C86 PolarHBondContact SG-SG 3.39Å; P84-C86 PolarHBondContact O-N 2.95Å; C86-S88 VanDerWaalsContact C-N 3.3Å; C86-S88 PolarHBondContact O-N 3.34Å
87	S	33	Very low	33.6	Very low	105 Å²	105	124.9 Å²	124.9	73%	0.734	71%	0.713	S	S	*	*			trans	-73.2	88.5	173.8	51.5	0	0	0	0	107.8	K85 T89	K85-S87 VanDerWaalsContact C-N 3.34Å; K85-S87 PolarHBondContact O-N 3.25Å; S87-T89 PolarHBondContact O-N 3.1Å; S87-T89 VanDerWaalsContact O-N 3.17Å
88	S	35.6	Very low	33.8	Very low	80 Å²	80	125.1 Å²	125.1	56%	0.559	71%	0.714	S	S	*	*			trans	-72.2	100.2	161.6	-48.6	0	0	0	0	105.8	C86 P90	C86-S88 VanDerWaalsContact C-N 3.3Å; C86-S88 PolarHBondContact O-N 3.34Å; S88-P90 WeakPolarHBondContact O-CD 3.47Å; S88-P90 VanDerWaalsContact O-N 3.16Å
89	T	31.5	Very low	33.8	Very low	125 Å²	125	129.1 Å²	129.1	77%	0.767	73%	0.729	S	S	*	*			trans	-67.8	109.4	172.6	-50.3	0	0	0	0	106.6	S87 A91	S87-T89 PolarHBondContact O-N 3.1Å; S87-T89 VanDerWaalsContact O-N 3.17Å; T89-A91 PolarHBondContact O-N 3.49Å
90	P	36.4	Very low	34	Very low	86 Å²	86	132.6 Å²	132.6	56%	0.558	73%	0.733	S	S	*	*			trans	-70.8	128.6	175.1	32.9	-32.7	0	0	0	106.9	S88 F92	S88-P90 WeakPolarHBondContact O-CD 3.47Å; S88-P90 VanDerWaalsContact O-N 3.16Å; P90-F92 HydrophobicContact CB-CD2 3.57Å; P90-F92 HydrophobicContact CB-CE2 3.82Å; P90-F92 HydrophobicContact CG-CD2 3.92Å; P90-F92 HydrophobicContact CG-CE2 4.44Å; P90-F92 PolarHBondContact O-N 3.01Å
91	A	33.4	Very low	33.9	Very low	102 Å²	102	131.9 Å²	131.9	84%	0.843	74%	0.735	S	S	*	*			trans	-69.7	70.3	171.5	0	0	0	0	0	109.3	T89	T89-A91 PolarHBondContact O-N 3.49Å
92	F	33.1	Very low	33.9	Very low	182 Å²	182	127.8 Å²	127.8	80%	0.798	73%	0.728	S	S	*	*			trans	-96.3	90.2	164.9	-77.6	-73.5	0	0	0	108.1	P90 T94	P90-F92 HydrophobicContact CB-CD2 3.57Å; P90-F92 HydrophobicContact CB-CE2 3.82Å; P90-F92 HydrophobicContact CG-CD2 3.92Å; P90-F92 HydrophobicContact CG-CE2 4.44Å; P90-F92 PolarHBondContact O-N 3.01Å; F92-T94 PolarHBondContact O-N 3.21Å
93	T	27.9	Very low	34	Very low	128 Å²	128	127.1 Å²	127.1	79%	0.785	73%	0.725	S	S	*	*			trans	-58.1	116.7	138.6	36.4	0	0	0	0	106.9
94	T	29.6	Very low	34.3	Very low	115 Å²	115	124.8 Å²	124.8	71%	0.706	72%	0.72	S	S	*	*				164.1	110.1	122.8	-51.3	0	0	0	0	108.1	F92	F92-T94 PolarHBondContact O-N 3.21Å
95	E	32.3	Very low	34.5	Very low	159 Å²	159	124.9 Å²	124.9	74%	0.743	72%	0.721	S	S	*	*			trans	44.4	118.5	147.4	-61.3	-179.2	147.3	0	0	120.5
96	N	31.7	Very low	35.1	Very low	134 Å²	134	122.9 Å²	122.9	72%	0.717	72%	0.719	S	S	*	*			trans	54.9	92.4	131.4	-54.4	-21.1	0	0	0	116.1
97	N	36.7	Very low	35.5	Very low	172 Å²	172	126.9 Å²	126.9	92%	0.92	73%	0.732	S	S	*	*				-159.4	121.7	128.6	-89.9	-45.4	0	0	0	110
98	D	35.6	Very low	36.1	Very low	149 Å²	149	133.5 Å²	133.5	80%	0.797	74%	0.741	S	S	*	*			trans	-56.9	143.1	176.6	-71.5	-55.7	0	0	0	112.4
99	T	32.5	Very low	36.7	Very low	133 Å²	133	137.7 Å²	137.7	82%	0.816	75%	0.752	S	S	*	*			trans	57.8	77.2	152.2	53.2	0	0	0	0	117.2
100	K	34	Very low	37.8	Very low	197 Å²	197	143.9 Å²	143.9	86%	0.857	76%	0.761	S	S	*	*			trans	-155.6	114.3	133.7	-111.6	163.4	-172.3	176	0	108.5	S102	K100-S102 PolarHBondContact O-N 3.29Å
101	S	34.7	Very low	38.5	Very low	117 Å²	117	148.1 Å²	148.1	82%	0.818	77%	0.774	S	S	*	*			trans	-65.6	64.3	168	60.5	0	0	0	0	109.7	N103	S101-N103 VanDerWaalsContact C-N 3.28Å; S101-N103 PolarHBondContact O-N 2.95Å
102	S	36.5	Very low	39.5	Very low	91 Å²	91	151.5 Å²	151.5	64%	0.636	78%	0.776	S	S	*	*			trans	-75.5	94.9	164.5	51.9	0	0	0	0	105.8	K100 S104	K100-S102 PolarHBondContact O-N 3.29Å; S102-S104 PolarHBondContact O-N 2.91Å
103	N	40	Very low	40.6	Very low	132 Å²	132	148.6 Å²	148.6	71%	0.706	77%	0.768	S	S	*	*			trans	-56	78	151.2	-71.6	-41.5	0	0	0	106.7	S101 C105	S101-N103 VanDerWaalsContact C-N 3.28Å; S101-N103 PolarHBondContact O-N 2.95Å; N103-C105 PolarHBondContact O-N 3.3Å
104	S	42.5	Very low	42	Very low	86 Å²	86	146.4 Å²	146.4	60%	0.601	76%	0.758	S	S	*	*			trans	-71.3	76.5	164	55.5	0	0	0	0	105.3	S102 D106	S102-S104 PolarHBondContact O-N 2.91Å; S104-D106 VanDerWaalsContact C-N 3.3Å; S104-D106 PolarHBondContact O-N 2.85Å
105	C	39.5	Very low	43.4	Very low	89 Å²	89	143 Å²	143	60%	0.601	74%	0.739	S	S	*	*			trans	-55.5	110.9	152.3	-85.5	0	0	0	0	104.2	N103 H107	N103-C105 PolarHBondContact O-N 3.3Å; C105-H107 WeakPolarHBondContact CB-CE1 3.23Å; C105-H107 PolarHBondContact O-N 3.12Å; C105-H107 PolarHBondContact O-ND1 3.24Å
106	D	46	Very low	44.8	Very low	141 Å²	141	144.3 Å²	144.3	75%	0.754	74%	0.742	S	S	*	*			trans	-60.5	79.7	172.5	-71.5	-30.5	0	0	0	108	S104 W108	S104-D106 VanDerWaalsContact C-N 3.3Å; S104-D106 PolarHBondContact O-N 2.85Å; D106-W108 PolarHBondContact O-N 3.44Å; D106-W108 VanDerWaalsContact O-N 3.15Å
107	H	43.8	Very low	46	Very low	142 Å²	142	145.7 Å²	145.7	66%	0.657	75%	0.75	S	S	*	*			trans	-72.4	107.2	167.5	-67.9	81.7	0	0	0	104.5	C105 Q109	C105-H107 WeakPolarHBondContact CB-CE1 3.23Å; C105-H107 PolarHBondContact O-N 3.12Å; C105-H107 PolarHBondContact O-ND1 3.24Å; H107-Q109 VanDerWaalsContact C-N 3.35Å; H107-Q109 PolarHBondContact O-N 2.92Å
108	W	44.9	Very low	47.3	Very low	243 Å²	243	143.5 Å²	143.5	92%	0.92	73%	0.734	S	S	*	*			trans	-55.3	103.4	166.7	-70.1	83.7	0	0	0	107.8	D106	D106-W108 PolarHBondContact O-N 3.44Å; D106-W108 VanDerWaalsContact O-N 3.15Å
109	Q	47.1	Very low	48.5	Very low	168 Å²	168	144.5 Å²	144.5	79%	0.785	73%	0.728	S	S	*	*			trans	-91.1	129.6	170.1	-66.5	-171.7	-3.6	0	0	107.5	H107 E111	H107-Q109 VanDerWaalsContact C-N 3.35Å; H107-Q109 PolarHBondContact O-N 2.92Å; Q109-E111 PolarHBondContact O-N 3.49Å; Q109-E111 VanDerWaalsContact O-N 3.14Å
110	W	56.2	Low	49.9	Very low	256 Å²	256	140.2 Å²	140.2	97%	0.97	70%	0.699	S	S	*	*			trans	-69.3	107.7	168.8	-68.3	99.7	0	0	0	108	L112	W110-L112 PolarHBondContact O-N 3.01Å
111	E	50.2	Low	51.1	Low	174 Å²	174	132.6 Å²	132.6	81%	0.813	67%	0.67	S	S	*	*			trans	-71.2	126.7	167.5	-90.9	-173.3	150.5	0	0	109.6	Q109 I113	Q109-E111 PolarHBondContact O-N 3.49Å; Q109-E111 VanDerWaalsContact O-N 3.14Å; E111-I113 PolarHBondContact O-N 2.97Å; E111-I113 VanDerWaalsContact O-N 3.07Å
112	L	55.7	Low	52.3	Low	173 Å²	173	131.3 Å²	131.3	91%	0.906	66%	0.661	S	S	*	*			trans	-70.9	101.3	169.6	-176.2	71.9	0	0	0	108.6	W110 S114	W110-L112 PolarHBondContact O-N 3.01Å; L112-S114 PolarHBondContact O-N 3.43Å
113	I	54.5	Low	53.4	Low	122 Å²	122	132.6 Å²	132.6	63%	0.626	66%	0.655	S	S	*	*			trans	-73.1	120.2	174.9	-57.5	174	0	0	0	108.6	E111 S115	E111-I113 PolarHBondContact O-N 2.97Å; E111-I113 VanDerWaalsContact O-N 3.07Å; I113-S115 PolarHBondContact O-N 3.47Å
114	S	57.4	Low	54.1	Low	82 Å²	82	132.7 Å²	132.7	57%	0.573	65%	0.647	S	S	*	*			trans	-67.3	116	173.3	-171.8	0	0	0	0	110.5	L112 K116	L112-S114 PolarHBondContact O-N 3.43Å; S114-K116 VanDerWaalsContact C-N 3.28Å; S114-K116 PolarHBondContact O-N 3.32Å
115	S	59.3	Low	54.8	Low	44 Å²	44	132.6 Å²	132.6	31%	0.308	64%	0.639	S	S	.	*			trans	-81.3	-1.5	178.9	57.1	0	0	0	0	114.2	I113 N117 Q118	I113-S115 PolarHBondContact O-N 3.47Å; S115-N117 PolarHBondContact O-N 3.14Å; S115-Q118 PolarHBondContact O-N 2.91Å; S115-Q118 VanDerWaalsContact O-N 3.13Å
116	K	62.5	Low	55.2	Low	185 Å²	185	132.1 Å²	132.1	80%	0.804	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-27.8	-170.6	-80.7	-173.1	175.7	-179	0	114.3	S114	S114-K116 VanDerWaalsContact C-N 3.28Å; S114-K116 PolarHBondContact O-N 3.32Å
117	N	57.1	Low	55.2	Low	163 Å²	163	132.5 Å²	132.5	87%	0.872	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	11.3	-177.5	-62.5	-20.9	0	0	0	114	S115	S115-N117 PolarHBondContact O-N 3.14Å
118	Q	63.2	Low	55.2	Low	126 Å²	126	134.5 Å²	134.5	59%	0.589	65%	0.654	S	S	*	*	S	Bend	trans	-101.8	131.3	178.2	-80.5	-177.7	-5	0	0	110.8	S115 I120	S115-Q118 PolarHBondContact O-N 2.91Å; S115-Q118 VanDerWaalsContact O-N 3.13Å; Q118-I120 PolarHBondContact O-N 3.14Å; Q118-I120 VanDerWaalsContact O-N 3.08Å
119	Y	61.5	Low	55.2	Low	170 Å²	170	128.3 Å²	128.3	67%	0.667	63%	0.631	S	S	*	*			trans	-64.5	110.2	169.3	174.4	-104	0	0	0	109.2	P121 L146	Y119-P121 HydrophobicContact CD1-CG 4.37Å; Y119-P121 HydrophobicContact CE1-CB 4.41Å; Y119-P121 HydrophobicContact CE1-CG 3.97Å; Y119-P121 WeakPolarHBondContact O-CD 3.47Å; Y119-L146 HydrophobicContact CD2-CD1 4.04Å
120	I	61.9	Low	55.4	Low	44 Å²	44	131.9 Å²	131.9	23%	0.226	64%	0.639	C	S	.	*			trans	-96.3	115.6	171.3	-64.2	170.7	0	0	0	107.4	Q118 S122 Y124 L125 I137	Q118-I120 PolarHBondContact O-N 3.14Å; Q118-I120 VanDerWaalsContact O-N 3.08Å; I120-S122 PolarHBondContact O-N 2.92Å; I120-Y124 HydrophobicContact CG2-CD2 4.24Å; I120-Y124 HydrophobicContact CG2-CG 4.43Å; I120-L125 HydrophobicContact CB-CD2 4.36Å; I120-L125 HydrophobicContact CG2-CD2 3.75Å; I120-L125 HydrophobicContact CG2-CG 4.05Å; I120-I137 HydrophobicContact CD1-CD1 3.63Å
121	P	58.8	Low	54.8	Low	37 Å²	37	122.8 Å²	122.8	24%	0.24	62%	0.615	C	S	.	*			trans	-53.3	138.3	174	-27.5	34.3	0	0	0	111.7	Y119 F123 Y124	Y119-P121 HydrophobicContact CD1-CG 4.37Å; Y119-P121 HydrophobicContact CE1-CB 4.41Å; Y119-P121 HydrophobicContact CE1-CG 3.97Å; Y119-P121 WeakPolarHBondContact O-CD 3.47Å; P121-F123 HydrophobicContact CB-CD1 3.4Å; P121-F123 VanDerWaalsContact CB-CD1 3.4Å; P121-F123 HydrophobicContact CB-CE1 3.27Å; P121-F123 HydrophobicContact CB-CG 4.45Å; P121-F123 HydrophobicContact CB-CZ 4.25Å; P121-F123 HydrophobicContact CG-CD1 4.46Å; P121-F123 HydrophobicContact CG-CE1 3.86Å; P121-F123 PolarHBondContact O-N 2.92Å; P121-Y124 HydrophobicContact CB-CD2 4.03Å; P121-Y124 HydrophobicContact CB-CE2 4.33Å; P121-Y124 HydrophobicContact CG-CD2 4.15Å; P121-Y124 HydrophobicContact CG-CE2 4.11Å; P121-Y124 PolarHBondContact O-N 3.47Å
122	S	60.5	Low	54.4	Low	90 Å²	90	122.9 Å²	122.9	63%	0.629	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-20.6	-175	54	0	0	0	0	114.5	I120 Y124 L125	I120-S122 PolarHBondContact O-N 2.92Å; S122-Y124 PolarHBondContact O-N 2.77Å; S122-L125 CarbonylContact O-C 3.56Å; S122-L125 PolarHBondContact O-N 3.17Å
123	F	59.7	Low	53.5	Low	117 Å²	117	120.2 Å²	120.2	51%	0.513	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.6	-21.4	176.8	73.4	-97.7	0	0	0	113.8	P121 Y129	P121-F123 HydrophobicContact CB-CD1 3.4Å; P121-F123 VanDerWaalsContact CB-CD1 3.4Å; P121-F123 HydrophobicContact CB-CE1 3.27Å; P121-F123 HydrophobicContact CB-CG 4.45Å; P121-F123 HydrophobicContact CB-CZ 4.25Å; P121-F123 HydrophobicContact CG-CD1 4.46Å; P121-F123 HydrophobicContact CG-CE1 3.86Å; P121-F123 PolarHBondContact O-N 2.92Å; F123-Y129 PolarHBondContact O-OH 2.97Å
124	Y	54.1	Low	52.7	Low	135 Å²	135	118.5 Å²	118.5	53%	0.529	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	-22.7	170.8	-65.5	-71.1	0	0	0	111.9	I120 P121 S122 G126	I120-Y124 HydrophobicContact CG2-CD2 4.24Å; I120-Y124 HydrophobicContact CG2-CG 4.43Å; P121-Y124 HydrophobicContact CB-CD2 4.03Å; P121-Y124 HydrophobicContact CB-CE2 4.33Å; P121-Y124 HydrophobicContact CG-CD2 4.15Å; P121-Y124 HydrophobicContact CG-CE2 4.11Å; P121-Y124 PolarHBondContact O-N 3.47Å; S122-Y124 PolarHBondContact O-N 2.77Å; Y124-G126 PolarHBondContact O-N 2.92Å
125	L	56.1	Low	51.9	Low	84 Å²	84	119.9 Å²	119.9	44%	0.44	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	106.2	179.1	-53.7	178.9	0	0	0	108.6	I120 S122 I137	I120-L125 HydrophobicContact CB-CD2 4.36Å; I120-L125 HydrophobicContact CG2-CD2 3.75Å; I120-L125 HydrophobicContact CG2-CG 4.05Å; S122-L125 CarbonylContact O-C 3.56Å; S122-L125 PolarHBondContact O-N 3.17Å; L125-I137 HydrophobicContact CD2-CD1 3.28Å; L125-I137 HydrophobicContact CD2-CG1 4.2Å
126	G	48.1	Very low	51.1	Low	79 Å²	79	123.1 Å²	123.1	81%	0.814	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.3	16.7	168.9	0	0	0	0	0	116.4	Y124	Y124-G126 PolarHBondContact O-N 2.92Å
127	K	47	Very low	50.3	Low	149 Å²	149	117.8 Å²	117.8	65%	0.648	61%	0.612	S	S	*	*			trans	-112.4	116.8	156.4	-68	-155.8	176.4	-168.4	0	109.5	Y129	K127-Y129 HydrophobicContact CB-CD2 4.32Å; K127-Y129 HydrophobicContact CB-CE1 4.44Å; K127-Y129 HydrophobicContact CB-CE2 3.9Å; K127-Y129 WeakPolarHBondContact O-CD2 3.48Å; K127-Y129 WeakPolarHBondContact O-CE2 3.49Å; K127-Y129 PolarHBondContact O-N 2.96Å
128	Q	43.2	Very low	49.7	Very low	183 Å²	183	116.1 Å²	116.1	86%	0.855	60%	0.603	S	S	*	*			trans	-64	92.4	163	-163.8	167.7	7.8	0	0	106
129	Y	46.5	Very low	48.8	Very low	113 Å²	113	118.5 Å²	118.5	44%	0.443	61%	0.614	S	S	.	*			trans	-67.9	139.1	171.3	-67.2	-83.2	0	0	0	106.7	F123 K127 S131	F123-Y129 PolarHBondContact O-OH 2.97Å; K127-Y129 HydrophobicContact CB-CD2 4.32Å; K127-Y129 HydrophobicContact CB-CE1 4.44Å; K127-Y129 HydrophobicContact CB-CE2 3.9Å; K127-Y129 WeakPolarHBondContact O-CD2 3.48Å; K127-Y129 WeakPolarHBondContact O-CE2 3.49Å; K127-Y129 PolarHBondContact O-N 2.96Å; Y129-S131 CarbonylContact O-C 3.53Å; Y129-S131 PolarHBondContact O-N 3.42Å
130	Y	49.5	Very low	47.9	Very low	243 Å²	243	119.6 Å²	119.6	95%	0.953	62%	0.619	S	S	*	*	S	Bend	trans	-65.1	18.7	177.5	-64.4	-82.9	0	0	0	114.1
131	S	44.4	Very low	46.7	Very low	66 Å²	66	125.1 Å²	125.1	46%	0.462	65%	0.649	S	S	.	*	S	Bend	trans	-99.3	120.7	161.5	54.3	0	0	0	0	106.1	Y129 T133	Y129-S131 CarbonylContact O-C 3.53Å; Y129-S131 PolarHBondContact O-N 3.42Å; S131-T133 PolarHBondContact O-N 3.39Å
132	D	41.9	Very low	45.9	Very low	175 Å²	175	127 Å²	127	94%	0.936	66%	0.662	S	S	*	*	S	Bend	trans	-60.7	17.1	-173.5	-62.1	-40.9	0	0	0	116.2
133	T	37.3	Very low	44.9	Very low	117 Å²	117	129.3 Å²	129.3	72%	0.718	67%	0.673	S	S	*	*			trans	-111.4	89.3	170.8	43.6	0	0	0	0	109.3	S131	S131-T133 PolarHBondContact O-N 3.39Å
134	C	37.1	Very low	44	Very low	86 Å²	86	131.4 Å²	131.4	58%	0.581	68%	0.684	S	S	*	*			trans	-83.3	137	162	78	0	0	0	0	109	T136	C134-T136 PolarHBondContact O-N 2.88Å
135	V	41.1	Very low	43.4	Very low	111 Å²	111	131.5 Å²	131.5	67%	0.673	70%	0.699	S	S	*	*			trans	-79	97.5	169.9	-178.9	0	0	0	0	106.6	I137	V135-I137 HydrophobicContact CG1-CG1 4.09Å; V135-I137 PolarHBondContact O-N 3.45Å
136	T	41	Very low	42.8	Very low	113 Å²	113	133.8 Å²	133.8	69%	0.693	71%	0.711	S	S	*	*			trans	-73.2	106.7	169.3	45.3	0	0	0	0	108.8	C134	C134-T136 PolarHBondContact O-N 2.88Å
137	I	47.5	Very low	42.3	Very low	73 Å²	73	138.4 Å²	138.4	37%	0.374	71%	0.711	S	S	.	*			trans	-87.2	115.4	167.9	-56.7	-173.1	0	0	0	106.7	I120 L125 V135 Q139	I120-I137 HydrophobicContact CD1-CD1 3.63Å; L125-I137 HydrophobicContact CD2-CD1 3.28Å; L125-I137 HydrophobicContact CD2-CG1 4.2Å; V135-I137 HydrophobicContact CG1-CG1 4.09Å; V135-I137 PolarHBondContact O-N 3.45Å; I137-Q139 VanDerWaalsContact C-N 3.29Å; I137-Q139 PolarHBondContact O-N 2.96Å
138	N	42.8	Very low	41.8	Very low	128 Å²	128	136.8 Å²	136.8	68%	0.684	71%	0.714	S	S	*	*			trans	-63.1	97.3	164.6	-69.1	-16.2	0	0	0	106.8	Y140	N138-Y140 VanDerWaalsContact C-N 3.27Å; N138-Y140 HydrophobicContact CB-CD2 4.44Å; N138-Y140 HydrophobicContact CB-CE2 4.28Å; N138-Y140 PolarHBondContact O-N 3.5Å
139	Q	45.2	Very low	41.4	Very low	175 Å²	175	134 Å²	134	82%	0.818	71%	0.712	S	S	*	*			trans	-61.4	95.4	168.6	-88.1	177.7	-8.8	0	0	107.4	I137	I137-Q139 VanDerWaalsContact C-N 3.29Å; I137-Q139 PolarHBondContact O-N 2.96Å
140	Y	42.6	Very low	41.1	Very low	194 Å²	194	135.6 Å²	135.6	76%	0.761	73%	0.726	S	S	*	*			trans	-74.1	127.7	150.5	-76.3	-88.1	0	0	0	105.9	N138 S142	N138-Y140 VanDerWaalsContact C-N 3.27Å; N138-Y140 HydrophobicContact CB-CD2 4.44Å; N138-Y140 HydrophobicContact CB-CE2 4.28Å; N138-Y140 PolarHBondContact O-N 3.5Å; Y140-S142 PolarHBondContact O-N 2.76Å
141	D	37	Very low	40.5	Very low	160 Å²	160	133.1 Å²	133.1	86%	0.856	72%	0.72	S	S	*	*			trans	-61.7	58.9	172.4	-84.5	-41.5	0	0	0	111.6	T143	D141-T143 PolarHBondContact O-N 2.82Å
142	S	41	Very low	40.2	Very low	76 Å²	76	139.3 Å²	139.3	53%	0.531	74%	0.742	S	S	.	*			trans	-79.9	99.5	168.4	177.1	0	0	0	0	106.8	Y140 Q144	Y140-S142 PolarHBondContact O-N 2.76Å; S142-Q144 PolarHBondContact O-N 3.27Å
143	T	40.2	Very low	40	Very low	138 Å²	138	139 Å²	139	85%	0.847	74%	0.737	S	S	*	*			trans	-61.4	13.1	170.3	34.5	0	0	0	0	113.9	D141 V145	D141-T143 PolarHBondContact O-N 2.82Å; T143-V145 PolarHBondContact O-N 3.39Å
144	Q	41.4	Very low	39.9	Very low	162 Å²	162	145.2 Å²	145.2	76%	0.757	75%	0.747	S	S	*	*			trans	-74.5	90.7	173.4	-70.3	-175	3.5	0	0	110.1	S142 L146	S142-Q144 PolarHBondContact O-N 3.27Å; Q144-L146 PolarHBondContact O-N 3.12Å
145	V	39.9	Very low	39.9	Very low	137 Å²	137	146.5 Å²	146.5	83%	0.83	76%	0.756	S	S	*	*			trans	-55.5	106	164.6	-177.1	0	0	0	0	107.8	T143 Q147	T143-V145 PolarHBondContact O-N 3.39Å; V145-Q147 PolarHBondContact O-N 2.86Å; V145-Q147 VanDerWaalsContact O-N 3.08Å
146	L	43.4	Very low	39.8	Very low	132 Å²	132	145.7 Å²	145.7	69%	0.691	76%	0.761	S	S	*	*			trans	-55.5	115.7	177	-79.5	161.4	0	0	0	109.4	Y119 Q144 T148	Y119-L146 HydrophobicContact CD2-CD1 4.04Å; Q144-L146 PolarHBondContact O-N 3.12Å; L146-T148 PolarHBondContact O-N 3.03Å; L146-T148 VanDerWaalsContact O-N 3.16Å
147	Q	38.2	Very low	39.7	Very low	175 Å²	175	149.8 Å²	149.8	82%	0.818	77%	0.769	S	S	*	*			trans	-67.2	112.4	-176.1	-161.9	174.7	24.7	0	0	109.6	V145	V145-Q147 PolarHBondContact O-N 2.86Å; V145-Q147 VanDerWaalsContact O-N 3.08Å
148	T	37.1	Very low	39.2	Very low	115 Å²	115	150.5 Å²	150.5	71%	0.706	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.7	139.6	174.4	39.8	0	0	0	0	110.9	L146 I150	L146-T148 PolarHBondContact O-N 3.03Å; L146-T148 VanDerWaalsContact O-N 3.16Å; T148-I150 PolarHBondContact O-N 3.2Å
149	P	35.2	Very low	39	Very low	126 Å²	126	151.7 Å²	151.7	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.2	123.1	-179.5	20	-29.9	0	0	0	111.4	K151	P149-K151 PolarHBondContact O-N 3.41Å
150	I	38.9	Very low	38.7	Very low	145 Å²	145	152.4 Å²	152.4	74%	0.744	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.5	123.5	-178.8	-59.8	170.2	0	0	0	108.6	T148 Q152	T148-I150 PolarHBondContact O-N 3.2Å; I150-Q152 PolarHBondContact O-N 3.05Å; I150-Q152 VanDerWaalsContact O-N 3.13Å
151	K	37.9	Very low	38.1	Very low	191 Å²	191	149.1 Å²	149.1	83%	0.83	79%	0.793	S	S	*	*			trans	-61.7	115.5	170.6	-71.1	-176.7	178	-178.1	0	108.5	P149 M153	P149-K151 PolarHBondContact O-N 3.41Å; K151-M153 VanDerWaalsContact C-N 3.34Å; K151-M153 PolarHBondContact O-N 3.07Å
152	Q	38	Very low	38	Very low	196 Å²	196	150.4 Å²	150.4	92%	0.916	79%	0.791	S	S	*	*			trans	-63.6	95.9	168.1	-70.8	-173.2	-4.6	0	0	108.7	I150 R154	I150-Q152 PolarHBondContact O-N 3.05Å; I150-Q152 VanDerWaalsContact O-N 3.13Å; Q152-R154 PolarHBondContact O-N 3.44Å
153	M	38.3	Very low	37.4	Very low	168 Å²	168	156.5 Å²	156.5	83%	0.828	81%	0.808	S	S	*	*			trans	-69.9	112.5	166.6	-78.9	-178.1	72.5	0	0	107.6	K151 C155	K151-M153 VanDerWaalsContact C-N 3.34Å; K151-M153 PolarHBondContact O-N 3.07Å; M153-C155 VanDerWaalsContact C-N 3.35Å; M153-C155 PolarHBondContact O-N 3.02Å
154	R	34.8	Very low	36.8	Very low	249 Å²	249	152.9 Å²	152.9	94%	0.94	80%	0.797	S	S	*	*			trans	-64.6	99.5	161.9	-91.9	-177	177.6	161.9	-0.5	107.4	Q152 A156	Q152-R154 PolarHBondContact O-N 3.44Å; R154-A156 PolarHBondContact O-N 2.8Å; R154-A156 VanDerWaalsContact O-N 3.14Å
155	C	36	Very low	36.2	Very low	112 Å²	112	151 Å²	151	76%	0.757	80%	0.797	S	S	*	*			trans	-62.4	114.2	164.8	-65.5	0	0	0	0	107.7	M153 K157	M153-C155 VanDerWaalsContact C-N 3.35Å; M153-C155 PolarHBondContact O-N 3.02Å; C155-K157 PolarHBondContact O-N 2.82Å; C155-K157 VanDerWaalsContact O-N 3.14Å
156	A	38.9	Very low	35.7	Very low	95 Å²	95	151.3 Å²	151.3	79%	0.785	79%	0.794	S	S	*	*			trans	-57.4	119.6	165.9	0	0	0	0	0	106.9	R154 A158	R154-A156 PolarHBondContact O-N 2.8Å; R154-A156 VanDerWaalsContact O-N 3.14Å; A156-A158 PolarHBondContact O-N 3.37Å
157	K	39.1	Very low	35	Very low	199 Å²	199	153.8 Å²	153.8	87%	0.865	80%	0.802	S	S	*	*			trans	-57.3	106.9	174.7	-81.6	-179.8	175.1	178.6	0	107.3	C155 N159	C155-K157 PolarHBondContact O-N 2.82Å; C155-K157 VanDerWaalsContact O-N 3.14Å; K157-N159 PolarHBondContact O-N 2.87Å; K157-N159 VanDerWaalsContact O-N 3.14Å
158	A	37.9	Very low	34.4	Very low	88 Å²	88	153.3 Å²	153.3	73%	0.727	80%	0.804	S	S	*	*			trans	-59.7	118.2	166.8	0	0	0	0	0	106.9	A156 K160	A156-A158 PolarHBondContact O-N 3.37Å; A158-K160 PolarHBondContact O-N 3.04Å
159	N	37.8	Very low	34	Very low	152 Å²	152	155.3 Å²	155.3	81%	0.813	81%	0.81	S	S	*	*			trans	-52.6	107.7	173.1	-75.8	-27.9	0	0	0	107.8	K157 V161	K157-N159 PolarHBondContact O-N 2.87Å; K157-N159 VanDerWaalsContact O-N 3.14Å; N159-V161 PolarHBondContact O-N 3.47Å
160	K	38.7	Very low	33.7	Very low	190 Å²	190	154.4 Å²	154.4	83%	0.826	80%	0.802	S	S	*	*			trans	-69.1	92.6	170.4	-79.2	-172.8	176.5	179.5	0	106.9	A158 K162	A158-K160 PolarHBondContact O-N 3.04Å; K160-K162 PolarHBondContact O-N 3.13Å
161	V	30.1	Very low	33.2	Very low	126 Å²	126	153.4 Å²	153.4	76%	0.764	81%	0.808	S	S	*	*			trans	-63.6	89.8	158.3	-179.2	0	0	0	0	106.3	N159	N159-V161 PolarHBondContact O-N 3.47Å
162	K	34.8	Very low	32.8	Very low	186 Å²	186	151.1 Å²	151.1	81%	0.809	80%	0.8	S	S	*	*			trans	-119.3	89.8	159.5	-78.9	-165.3	174.1	-168.9	0	107.4	K160 G164	K160-K162 PolarHBondContact O-N 3.13Å; K162-G164 PolarHBondContact O-N 3.43Å
163	K	29.2	Very low	32.2	Very low	205 Å²	205	149 Å²	149	89%	0.891	79%	0.79	S	S	*	*			trans	-53.9	125.5	151.3	-74.3	-179.6	173.4	-177.5	0	107
164	G	28.6	Very low	31.8	Very low	61 Å²	61	146.8 Å²	146.8	63%	0.629	79%	0.791	S	S	*	*			trans	163.1	82.2	175.4	0	0	0	0	0	112.2	K162	K162-G164 PolarHBondContact O-N 3.43Å
165	T	28.2	Very low	31.4	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	78%	0.775	S	S	*	*			trans	60.7	113.6	145.2	30.9	0	0	0	0	119.4
166	N	28	Very low	31	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	78%	0.782	S	S	*	*			trans	67.2	89.1	133.4	-52.9	-13	0	0	0	116.9
167	E	28.9	Very low	30.5	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	78%	0.782	S	S	*	*			trans	-158.5	84.7	132.2	-105.7	165.3	-142.6	0	0	107.8	L169	E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 3.21Å
168	L	26	Very low	30	Very low	165 Å²	165	145.9 Å²	145.9	86%	0.864	78%	0.782	S	S	*	*			trans	-69.4	81.1	171.9	-177.4	81.4	0	0	0	108.3
169	L	29.8	Very low	29.7	Very low	157 Å²	157	146.2 Å²	146.2	82%	0.822	78%	0.779	S	S	*	*			trans	-116.3	66	162.4	-71.2	177.2	0	0	0	108.4	E167	E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 3.21Å
170	V	27.4	Very low	29.2	Very low	108 Å²	108	147.2 Å²	147.2	66%	0.655	79%	0.785	S	S	*	*			trans	-131	92.1	170.7	179.5	0	0	0	0	108	Q172	V170-Q172 HydrophobicContact CG1-CG 3.86Å
171	S	28.2	Very low	28.8	Very low	123 Å²	123	144.2 Å²	144.2	86%	0.86	78%	0.782	S	S	*	*			trans	-131.6	83.4	152	-150.4	0	0	0	0	103.8
172	Q	29.8	Very low	28.6	Very low	144 Å²	144	146.4 Å²	146.4	67%	0.673	78%	0.784	S	S	*	*				44.2	132.2	89.5	-74.2	-168.1	-9.9	0	0	114	V170	V170-Q172 HydrophobicContact CG1-CG 3.86Å
173	H	25.6	Very low	28.2	Very low	150 Å²	150	142.8 Å²	142.8	69%	0.694	78%	0.782	S	S	*	*			trans	88	72.3	166	-59.9	-75.6	0	0	0	118.2
174	S	29.9	Very low	28.2	Very low	122 Å²	122	138 Å²	138	85%	0.853	77%	0.774	S	S	*	*				-113.7	110.1	129.9	58.6	0	0	0	0	109.4
175	N	26.7	Very low	28.4	Very low	112 Å²	112	144.4 Å²	144.4	60%	0.599	79%	0.785	S	S	*	*			trans	-55	131.9	179.1	-55.8	-53.6	0	0	0	109.8	L177	N175-L177 VanDerWaalsContact C-N 3.29Å; N175-L177 PolarHBondContact O-N 3.49Å
176	L	26.9	Very low	28.7	Very low	174 Å²	174	147.7 Å²	147.7	91%	0.911	79%	0.789	S	S	*	*				44.5	53.2	75.5	-138.5	133.4	0	0	0	112.5
177	L	29.2	Very low	29	Very low	152 Å²	152	148.4 Å²	148.4	80%	0.796	79%	0.793	S	S	*	*			trans	-133.6	90.8	164.4	-78.7	170.2	0	0	0	109	N175	N175-L177 VanDerWaalsContact C-N 3.29Å; N175-L177 PolarHBondContact O-N 3.49Å
178	K	29.5	Very low	29.2	Very low	198 Å²	198	149 Å²	149	86%	0.861	79%	0.792	S	S	*	*	S	Bend		175	110.5	125.8	-96	165.9	-179.5	177.8	0	111.6
179	S	30.9	Very low	29.6	Very low	95 Å²	95	148.8 Å²	148.8	66%	0.664	79%	0.791	S	S	*	*			trans	57.8	100.8	142.5	62.5	0	0	0	0	118.4	V181	S179-V181 PolarHBondContact O-N 3Å; S179-V181 VanDerWaalsContact O-N 3.12Å
180	N	26.8	Very low	30	Very low	174 Å²	174	148.2 Å²	148.2	93%	0.93	79%	0.787	S	S	*	*			trans	-42.6	105.8	133.9	-66.4	-19	0	0	0	109.8
181	V	30.3	Very low	30.6	Very low	127 Å²	127	147.9 Å²	147.9	77%	0.77	79%	0.79	S	S	*	*			trans	-118.8	128.5	154	175.9	0	0	0	0	106.3	S179	S179-V181 PolarHBondContact O-N 3Å; S179-V181 VanDerWaalsContact O-N 3.12Å
182	E	26.1	Very low	31.2	Very low	172 Å²	172	147.2 Å²	147.2	80%	0.804	78%	0.781	S	S	*	*			trans	-57.5	143.6	-162.8	-72.1	153.9	134.1	0	0	114.8	S184	E182-S184 PolarHBondContact O-N 3.16Å
183	S	27.2	Very low	31.5	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	79%	0.789	S	S	*	*			trans	-18.8	110.3	151.4	52.4	0	0	0	0	115.8
184	S	29.3	Very low	32.1	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	79%	0.791	S	S	*	*			trans	-109.5	103.7	143.9	55.9	0	0	0	0	108.5	E182 K186	E182-S184 PolarHBondContact O-N 3.16Å; S184-K186 PolarHBondContact O-N 3.32Å
185	K	32.5	Very low	32.6	Very low	196 Å²	196	148.9 Å²	148.9	85%	0.852	78%	0.779	S	S	*	*			trans	-61.8	79.8	172.3	-73.6	172.9	175.3	171.2	0	109.9	N187	K185-N187 PolarHBondContact O-N 2.88Å
186	K	34.7	Very low	33.3	Very low	191 Å²	191	147.8 Å²	147.8	83%	0.83	78%	0.78	S	S	*	*			trans	-90.1	98	157	-77.2	-175.1	178.9	176.6	0	106.8	S184 K188	S184-K186 PolarHBondContact O-N 3.32Å; K186-K188 VanDerWaalsContact C-N 3.27Å; K186-K188 PolarHBondContact O-N 2.86Å
187	N	33.2	Very low	34	Very low	159 Å²	159	149.9 Å²	149.9	85%	0.85	78%	0.776	S	S	*	*			trans	-49.9	93.1	168.1	-77.8	-25.9	0	0	0	108.7	K185 L189	K185-N187 PolarHBondContact O-N 2.88Å; N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.08Å
188	K	33.7	Very low	34.4	Very low	195 Å²	195	149 Å²	149	85%	0.848	77%	0.772	S	S	*	*			trans	-72.8	96.1	172.8	-139.6	174.2	-173.4	177.6	0	104.9	K186 I190	K186-K188 VanDerWaalsContact C-N 3.27Å; K186-K188 PolarHBondContact O-N 2.86Å; K188-I190 PolarHBondContact O-N 2.92Å
189	L	34.4	Very low	34.8	Very low	162 Å²	162	146.3 Å²	146.3	85%	0.848	77%	0.766	S	S	*	*			trans	-53	99.8	174.9	-174.5	76.9	0	0	0	107.9	N187 S191	N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.08Å; L189-S191 VanDerWaalsContact C-N 3.3Å; L189-S191 PolarHBondContact O-N 2.91Å
190	I	38.4	Very low	35.1	Very low	144 Å²	144	147.7 Å²	147.7	74%	0.738	77%	0.773	S	S	*	*			trans	-72.2	96.1	172.7	-57.9	175.1	0	0	0	105	K188 T192	K188-I190 PolarHBondContact O-N 2.92Å; I190-T192 HydrophobicContact CG2-CG2 4.22Å; I190-T192 PolarHBondContact O-N 2.87Å
191	S	38.9	Very low	35.8	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	77%	0.765	S	S	*	*			trans	-63	87	169.1	167.7	0	0	0	0	108.3	L189 K193	L189-S191 VanDerWaalsContact C-N 3.3Å; L189-S191 PolarHBondContact O-N 2.91Å; S191-K193 VanDerWaalsContact C-N 3.3Å; S191-K193 PolarHBondContact O-N 2.98Å
192	T	40.5	Very low	36.1	Very low	109 Å²	109	148.4 Å²	148.4	67%	0.669	77%	0.768	S	S	*	*			trans	-67.6	94.5	167.7	38.9	0	0	0	0	107.4	I190 I194	I190-T192 HydrophobicContact CG2-CG2 4.22Å; I190-T192 PolarHBondContact O-N 2.87Å; T192-I194 PolarHBondContact O-N 3.14Å
193	K	36.8	Very low	36.7	Very low	195 Å²	195	149.3 Å²	149.3	85%	0.848	77%	0.769	S	S	*	*			trans	-63.8	88.2	171	-149.9	178.1	-171.5	-177.8	0	106.7	S191 N195	S191-K193 VanDerWaalsContact C-N 3.3Å; S191-K193 PolarHBondContact O-N 2.98Å; K193-N195 PolarHBondContact O-N 3.24Å
194	I	38.6	Very low	37	Very low	145 Å²	145	155.1 Å²	155.1	74%	0.744	77%	0.774	S	S	*	*			trans	-64.3	102.9	176	-65	170.4	0	0	0	105.9	T192 S196	T192-I194 PolarHBondContact O-N 3.14Å; I194-S196 PolarHBondContact O-N 3.39Å
195	N	39.2	Very low	37.3	Very low	112 Å²	112	155 Å²	155	60%	0.599	77%	0.771	S	S	*	*			trans	-70.6	99.2	176.6	-138.9	-4.2	0	0	0	106.7	K193 W197 N198	K193-N195 PolarHBondContact O-N 3.24Å; N195-W197 PolarHBondContact O-N 3.33Å; N195-N198 PolarHBondContact O-N 3.38Å
196	S	42.4	Very low	37.5	Very low	88 Å²	88	154 Å²	154	62%	0.615	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-62.6	-5.9	-174.3	32.6	0	0	0	0	114.2	I194 N198	I194-S196 PolarHBondContact O-N 3.39Å; S196-N198 VanDerWaalsContact C-N 3.32Å; S196-N198 PolarHBondContact O-N 2.97Å
197	W	41	Very low	37.5	Very low	218 Å²	218	150.7 Å²	150.7	83%	0.826	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-77	-10.8	177.3	-62.6	100.1	0	0	0	114.6	N195	N195-W197 PolarHBondContact O-N 3.33Å
198	N	37.3	Very low	37.5	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-105.5	30.2	-175.9	-74	-22.2	0	0	0	114.3	N195 S196 P200	N195-N198 PolarHBondContact O-N 3.38Å; S196-N198 VanDerWaalsContact C-N 3.32Å; S196-N198 PolarHBondContact O-N 2.97Å; N198-P200 VanDerWaalsContact O-CD 3.23Å; N198-P200 WeakPolarHBondContact O-CD 3.3Å
199	L	38.9	Very low	37.5	Very low	141 Å²	141	146.9 Å²	146.9	74%	0.738	75%	0.754	S	S	*	*			trans	-68.1	118.5	169.2	-76.7	167.4	0	0	0	109.1	V201	L199-V201 PolarHBondContact O-N 3.15Å
200	P	36.1	Very low	37.5	Very low	124 Å²	124	146.8 Å²	146.8	81%	0.805	75%	0.749	S	S	*	*			trans	-66.6	101.7	178.4	25.3	-31.1	0	0	0	109.4	N198 K202	N198-P200 VanDerWaalsContact O-CD 3.23Å; N198-P200 WeakPolarHBondContact O-CD 3.3Å; P200-K202 PolarHBondContact O-N 2.92Å
201	V	42	Very low	37.2	Very low	125 Å²	125	146.4 Å²	146.4	76%	0.758	75%	0.753	S	S	*	*			trans	-69.9	101.8	168.4	-175.9	0	0	0	0	106.7	L199 K203	L199-V201 PolarHBondContact O-N 3.15Å; V201-K203 PolarHBondContact O-N 2.97Å
202	K	37.5	Very low	37	Very low	191 Å²	191	147.2 Å²	147.2	83%	0.83	75%	0.753	S	S	*	*			trans	-58.7	105.1	172.3	-158.9	175.9	-174.8	-179.1	0	107	P200 W204	P200-K202 PolarHBondContact O-N 2.92Å; K202-W204 PolarHBondContact O-N 2.96Å; K202-W204 VanDerWaalsContact O-N 3.11Å
203	K	37.3	Very low	36.9	Very low	192 Å²	192	150.7 Å²	150.7	84%	0.835	76%	0.759	S	S	*	*			trans	-61.4	116	177.3	-68.4	-169.9	177.7	-172.7	0	107.3	V201	V201-K203 PolarHBondContact O-N 2.97Å
204	W	35.1	Very low	36.8	Very low	231 Å²	231	150.1 Å²	150.1	88%	0.875	76%	0.76	S	S	*	*			trans	-60	131.6	172.6	-65.9	81.2	0	0	0	107.9	K202 Q206	K202-W204 PolarHBondContact O-N 2.96Å; K202-W204 VanDerWaalsContact O-N 3.11Å; W204-Q206 PolarHBondContact O-N 2.96Å
205	P	34.6	Very low	36.6	Very low	103 Å²	103	148.8 Å²	148.8	67%	0.669	76%	0.758	S	S	*	*			trans	-60.3	115.2	176.5	22.5	-30	0	0	0	108.6	N207	P205-N207 PolarHBondContact O-N 3.23Å
206	Q	37.3	Very low	36.4	Very low	173 Å²	173	148.1 Å²	148.1	81%	0.808	76%	0.76	S	S	*	*			trans	-74	78.6	168.2	-71.4	177.2	-12.8	0	0	107.4	W204 L208	W204-Q206 PolarHBondContact O-N 2.96Å; Q206-L208 VanDerWaalsContact C-N 3.28Å; Q206-L208 PolarHBondContact O-N 3.03Å
207	N	33.6	Very low	36.1	Very low	122 Å²	122	150.5 Å²	150.5	65%	0.652	77%	0.765	S	S	*	*			trans	-70.3	94.5	164.4	-82.9	-24.8	0	0	0	107.2	P205 T209	P205-N207 PolarHBondContact O-N 3.23Å; N207-T209 PolarHBondContact O-N 3.11Å
208	L	34	Very low	35.8	Very low	157 Å²	157	146.7 Å²	146.7	82%	0.822	76%	0.761	S	S	*	*			trans	-78.1	14.2	-179.4	-137.6	92.6	0	0	0	113.2	Q206	Q206-L208 VanDerWaalsContact C-N 3.28Å; Q206-L208 PolarHBondContact O-N 3.03Å
209	T	33.8	Very low	35.5	Very low	118 Å²	118	146.7 Å²	146.7	72%	0.724	76%	0.756	S	S	*	*			trans	-113.7	54.2	-176.5	39.3	0	0	0	0	111.2	N207	N207-T209 PolarHBondContact O-N 3.11Å
210	H	35	Very low	35.2	Very low	160 Å²	160	145.6 Å²	145.6	74%	0.741	76%	0.755	S	S	*	*			trans	-105.2	99	154.5	-80.9	-67.4	0	0	0	107.9	V212	H210-V212 VanDerWaalsContact C-N 3.25Å; H210-V212 PolarHBondContact O-N 3.04Å
211	T	31.6	Very low	35.1	Very low	135 Å²	135	144.3 Å²	144.3	83%	0.828	74%	0.741	S	S	*	*			trans	-53.4	97.1	159	-34.7	0	0	0	0	106.4	K213	T211-K213 VanDerWaalsContact C-N 3.28Å; T211-K213 PolarHBondContact O-N 2.96Å
212	V	35.1	Very low	34.8	Very low	118 Å²	118	141 Å²	141	72%	0.715	73%	0.727	S	S	*	*			trans	-67.8	95.9	175.5	179.6	0	0	0	0	105.3	H210 Q214	H210-V212 VanDerWaalsContact C-N 3.25Å; H210-V212 PolarHBondContact O-N 3.04Å; V212-Q214 VanDerWaalsContact C-N 3.3Å; V212-Q214 PolarHBondContact O-N 3.21Å
213	K	37.1	Very low	34.5	Very low	183 Å²	183	142.2 Å²	142.2	80%	0.796	73%	0.726	S	S	*	*			trans	-55.8	106.1	160.5	-76.2	-173.5	176.6	-177	0	105.1	T211 T215	T211-K213 VanDerWaalsContact C-N 3.28Å; T211-K213 PolarHBondContact O-N 2.96Å; K213-T215 PolarHBondContact O-N 2.96Å; K213-T215 PolarHBondContact O-OG1 2.94Å
214	Q	35.9	Very low	34.2	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	72%	0.717	S	S	*	*			trans	-55.6	93.9	176.3	-71.6	179.6	0.8	0	0	107.1	V212 P216	V212-Q214 VanDerWaalsContact C-N 3.3Å; V212-Q214 PolarHBondContact O-N 3.21Å; Q214-P216 WeakPolarHBondContact O-CD 3.36Å
215	T	34	Very low	34	Very low	116 Å²	116	134.2 Å²	134.2	71%	0.712	71%	0.706	S	S	*	*			trans	-85.3	117.1	169.3	-39.1	0	0	0	0	104	K213 L217	K213-T215 PolarHBondContact O-N 2.96Å; K213-T215 PolarHBondContact O-OG1 2.94Å; T215-L217 PolarHBondContact O-N 3.4Å
216	P	35.9	Very low	34	Very low	98 Å²	98	134.6 Å²	134.6	64%	0.636	71%	0.711	S	S	*	*			trans	-53.3	136.1	-172.8	15.6	-27.7	0	0	0	110.7	Q214 N218 H219	Q214-P216 WeakPolarHBondContact O-CD 3.36Å; P216-N218 PolarHBondContact O-N 2.78Å; P216-H219 PolarHBondContact O-N 3.46Å
217	L	34.2	Very low	33.8	Very low	139 Å²	139	133.5 Å²	133.5	73%	0.728	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-15.5	-169.9	-134.1	92.4	0	0	0	114.5	T215 H219 V220	T215-L217 PolarHBondContact O-N 3.4Å; L217-H219 PolarHBondContact O-N 3.36Å; L217-V220 PolarHBondContact O-N 2.92Å
218	N	35.2	Very low	33.7	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	72%	0.716	S	S	*	*	H	α-helix	trans	-68.2	-27.2	-174.1	-69.4	-16.9	0	0	0	114	P216	P216-N218 PolarHBondContact O-N 2.78Å
219	H	31.6	Very low	33.6	Very low	134 Å²	134	132.4 Å²	132.4	62%	0.62	71%	0.714	S	S	*	*	H	α-helix	trans	-82.2	-17.8	-179.7	-154.5	-63.4	0	0	0	113.6	P216 L217	P216-H219 PolarHBondContact O-N 3.46Å; L217-H219 PolarHBondContact O-N 3.36Å
220	V	32.7	Very low	33.6	Very low	117 Å²	117	133.6 Å²	133.6	71%	0.709	72%	0.716	S	S	*	*	H	α-helix	trans	-78	-32.3	178	-178.6	0	0	0	0	111	L217 A222	L217-V220 PolarHBondContact O-N 2.92Å; V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 3.32Å
221	L	33.4	Very low	33.4	Very low	98 Å²	98	131.5 Å²	131.5	51%	0.513	71%	0.71	S	S	.	*	H	α-helix	trans	-72.6	-23.5	177.1	-73.7	168.5	0	0	0	113.4	R223 S224 Y225	L221-R223 PolarHBondContact O-N 2.99Å; L221-S224 PolarHBondContact O-N 3.43Å; L221-Y225 VanDerWaalsContact O-CE2 3.31Å; L221-Y225 WeakPolarHBondContact O-CE2 3.4Å
222	A	36.6	Very low	33.4	Very low	56 Å²	56	130.6 Å²	130.6	46%	0.463	70%	0.704	S	S	.	*	G	3₁₀ helix	trans	-67.4	-17.5	-178.5	0	0	0	0	0	114.7	V220	V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 3.32Å
223	R	31	Very low	33.5	Very low	215 Å²	215	128.6 Å²	128.6	81%	0.811	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-86.6	1.7	-179.2	-77.4	-172.4	172.5	179.9	-1	115.1	L221	L221-R223 PolarHBondContact O-N 2.99Å
224	S	30.8	Very low	33.4	Very low	91 Å²	91	124.3 Å²	124.3	64%	0.636	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-105.5	0.9	-171.5	-50.1	0	0	0	0	115.4	L221	L221-S224 PolarHBondContact O-N 3.43Å
225	Y	31.4	Very low	33.2	Very low	164 Å²	164	121.9 Å²	121.9	64%	0.643	68%	0.677	S	S	*	*			trans	-88.8	3.7	-175.8	-54.8	-67.6	0	0	0	115.3	L221 L227	L221-Y225 VanDerWaalsContact O-CE2 3.31Å; L221-Y225 WeakPolarHBondContact O-CE2 3.4Å; Y225-L227 VanDerWaalsContact C-N 3.27Å; Y225-L227 PolarHBondContact O-N 2.99Å
226	S	34.4	Very low	33.3	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	14.7	-175.3	-51.9	0	0	0	0	115.3
227	L	32.6	Very low	33.3	Very low	150 Å²	150	125.4 Å²	125.4	79%	0.785	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	3.6	-177.7	-147.2	76	0	0	0	115.7	Y225	Y225-L227 VanDerWaalsContact C-N 3.27Å; Y225-L227 PolarHBondContact O-N 2.99Å
228	T	32.3	Very low	33.3	Very low	128 Å²	128	125.2 Å²	125.2	79%	0.785	68%	0.677	S	S	*	*	S	Bend	trans	-98	-2.3	-177.9	37.5	0	0	0	0	115.7
229	T	31.5	Very low	33.1	Very low	127 Å²	127	123.1 Å²	123.1	78%	0.779	67%	0.669	S	S	*	*			trans	-102.6	55	169.8	30.9	0	0	0	0	111.5	N231	T229-N231 VanDerWaalsContact C-N 3.25Å; T229-N231 PolarHBondContact O-N 3Å
230	L	32.6	Very low	33.4	Very low	143 Å²	143	119.4 Å²	119.4	75%	0.749	66%	0.662	S	S	*	*			trans	-67.9	96.1	155.1	-101.7	159.3	0	0	0	106.8	T232	L230-T232 PolarHBondContact O-N 3.47Å
231	N	32	Very low	33.5	Very low	117 Å²	117	117.2 Å²	117.2	63%	0.626	65%	0.652	S	S	*	*			trans	-35.7	110	173.9	-102	-39	0	0	0	110.9	T229 S233 T234	T229-N231 VanDerWaalsContact C-N 3.25Å; T229-N231 PolarHBondContact O-N 3Å; N231-S233 PolarHBondContact O-N 3.4Å; N231-T234 PolarHBondContact O-N 3.38Å; N231-T234 PolarHBondContact O-OG1 3.16Å; N231-T234 VanDerWaalsContact O-OG1 3.1Å
232	T	31.6	Very low	33.4	Very low	115 Å²	115	120.7 Å²	120.7	71%	0.706	66%	0.663	S	S	*	*	H	α-helix	trans	-59.9	-11.8	173	38.6	0	0	0	0	112.8	L230 L235	L230-T232 PolarHBondContact O-N 3.47Å; T232-L235 PolarHBondContact O-N 2.82Å
233	S	36.7	Very low	33.1	Very low	77 Å²	77	121.9 Å²	121.9	54%	0.538	67%	0.668	S	S	.	*	H	α-helix	trans	-68.6	-30.7	176.8	64.1	0	0	0	0	114.1	N231	N231-S233 PolarHBondContact O-N 3.4Å
234	T	34.4	Very low	33.2	Very low	93 Å²	93	118.1 Å²	118.1	57%	0.571	66%	0.663	S	S	*	*	H	α-helix	trans	-78.2	-24.1	176.6	24	0	0	0	0	112.9	N231 K237	N231-T234 PolarHBondContact O-N 3.38Å; N231-T234 PolarHBondContact O-OG1 3.16Å; N231-T234 VanDerWaalsContact O-OG1 3.1Å; T234-K237 PolarHBondContact O-N 2.84Å
235	L	33.1	Very low	33.2	Very low	131 Å²	131	120.7 Å²	120.7	69%	0.686	67%	0.668	S	S	*	*	H	α-helix	trans	-70.2	-36.9	178	-160.5	70.7	0	0	0	111.6	T232 K237 L238 T239	T232-L235 PolarHBondContact O-N 2.82Å; L235-K237 VanDerWaalsContact C-N 3.3Å; L235-K237 PolarHBondContact O-N 3.37Å; L235-L238 PolarHBondContact O-N 3.42Å; L235-T239 PolarHBondContact O-OG1 2.86Å
236	N	36.2	Very low	33.1	Very low	117 Å²	117	117.2 Å²	117.2	63%	0.626	67%	0.667	S	S	*	*	H	α-helix	trans	-71.7	-20.5	179.1	-73.6	-10.3	0	0	0	114	L238	N236-L238 VanDerWaalsContact C-N 3.33Å
237	K	36.1	Very low	32.9	Very low	172 Å²	172	120.7 Å²	120.7	75%	0.748	67%	0.671	S	S	*	*	H	α-helix	trans	-73.4	-23.9	174.7	-92.1	-173.5	175.5	-177.4	0	113.3	T234 L235	T234-K237 PolarHBondContact O-N 2.84Å; L235-K237 VanDerWaalsContact C-N 3.3Å; L235-K237 PolarHBondContact O-N 3.37Å
238	L	32.2	Very low	32.6	Very low	135 Å²	135	123.1 Å²	123.1	71%	0.707	68%	0.675	S	S	*	*	H	α-helix	trans	-84.1	-22.2	-179.9	-125.9	101.1	0	0	0	113.3	L235 N236 S241	L235-L238 PolarHBondContact O-N 3.42Å; N236-L238 VanDerWaalsContact C-N 3.33Å; L238-S241 PolarHBondContact O-OG 2.74Å
239	T	32.8	Very low	32.3	Very low	93 Å²	93	120.5 Å²	120.5	57%	0.571	67%	0.666	S	S	*	*	H	α-helix	trans	-82.2	-29	178	9.4	0	0	0	0	112.7	L235 S241 K242	L235-T239 PolarHBondContact O-OG1 2.86Å; T239-S241 VanDerWaalsContact C-N 3.34Å; T239-S241 PolarHBondContact O-N 2.89Å; T239-K242 PolarHBondContact O-N 3.11Å
240	A	36.3	Very low	32.2	Very low	57 Å²	57	122.5 Å²	122.5	47%	0.471	67%	0.67	S	S	.	*	H	α-helix	trans	-68.8	-29	179.3	0	0	0	0	0	113.6	K242	A240-K242 VanDerWaalsContact C-N 3.3Å; A240-K242 PolarHBondContact O-N 3.5Å
241	S	34.9	Very low	32	Very low	71 Å²	71	122.6 Å²	122.6	50%	0.497	67%	0.672	S	S	.	*	H	α-helix	trans	-77.2	-12.8	179.5	42.3	0	0	0	0	114	L238 T239	L238-S241 PolarHBondContact O-OG 2.74Å; T239-S241 VanDerWaalsContact C-N 3.34Å; T239-S241 PolarHBondContact O-N 2.89Å
242	K	32.5	Very low	31.9	Very low	170 Å²	170	122 Å²	122	74%	0.739	68%	0.677	S	S	*	*	H	α-helix	trans	-85.3	-27.1	173.1	-80.3	-171.7	176.1	-176.7	0	113.9	T239 A240 I244 I245	T239-K242 PolarHBondContact O-N 3.11Å; A240-K242 VanDerWaalsContact C-N 3.3Å; A240-K242 PolarHBondContact O-N 3.5Å; K242-I244 VanDerWaalsContact C-N 3.33Å; K242-I244 PolarHBondContact O-N 3.49Å; K242-I245 PolarHBondContact O-N 3.41Å
243	S	30.6	Very low	31.7	Very low	81 Å²	81	125.2 Å²	125.2	57%	0.566	69%	0.689	S	S	*	*	H	α-helix	trans	-79.2	-15.7	-178.9	96.4	0	0	0	0	113.8	I245 S246	S243-I245 VanDerWaalsContact C-N 3.25Å; S243-I245 PolarHBondContact O-N 3.39Å; S243-S246 PolarHBondContact O-OG 2.9Å; S243-S246 VanDerWaalsContact O-OG 3.11Å
244	I	32.2	Very low	31.4	Very low	137 Å²	137	129.4 Å²	129.4	70%	0.703	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-76.2	-17.6	176.5	-59.5	174.5	0	0	0	111.3	K242 S246	K242-I244 VanDerWaalsContact C-N 3.33Å; K242-I244 PolarHBondContact O-N 3.49Å; I244-S246 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 2.69Å
245	I	30.9	Very low	31.2	Very low	145 Å²	145	134.3 Å²	134.3	74%	0.744	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-82.3	-13.5	-178.2	-58.6	177.1	0	0	0	112	K242 S243	K242-I245 PolarHBondContact O-N 3.41Å; S243-I245 VanDerWaalsContact C-N 3.25Å; S243-I245 PolarHBondContact O-N 3.39Å
246	S	30	Very low	30.9	Very low	90 Å²	90	135.7 Å²	135.7	63%	0.629	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-96.1	2.2	-168.6	44.2	0	0	0	0	117.2	S243 I244	S243-S246 PolarHBondContact O-OG 2.9Å; S243-S246 VanDerWaalsContact O-OG 3.11Å; I244-S246 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 2.69Å
247	Q	29.7	Very low	30.6	Very low	186 Å²	186	135.2 Å²	135.2	87%	0.869	73%	0.727	S	S	*	*	S	Bend	trans	-137.5	8.8	-175.7	-83.8	-173.2	-6.9	0	0	118.3	A249	Q247-A249 PolarHBondContact O-N 3.22Å
248	K	25.9	Very low	30.2	Very low	201 Å²	201	133.4 Å²	133.4	87%	0.874	73%	0.73	S	S	*	*	S	Bend	trans	-101.7	89.8	170.8	-142.6	172.2	-176.9	-178.1	0	111.5
249	A	25.8	Very low	30	Very low	72 Å²	72	134.3 Å²	134.3	60%	0.595	73%	0.734	S	S	*	*			trans	13.1	123.3	150.5	0	0	0	0	0	117.7	Q247 N251	Q247-A249 PolarHBondContact O-N 3.22Å; A249-N251 PolarHBondContact O-N 2.99Å
250	I	28.7	Very low	29.8	Very low	169 Å²	169	138.5 Å²	138.5	87%	0.867	75%	0.747	S	S	*	*	S	Bend	trans	-25.3	99.3	134.7	-58.3	157	0	0	0	109.1
251	N	30	Very low	29.4	Very low	146 Å²	146	141 Å²	141	78%	0.781	76%	0.761	S	S	*	*			trans	-169.4	118.8	154	-89.7	-23	0	0	0	108.6	A249	A249-N251 PolarHBondContact O-N 2.99Å
252	S	30	Very low	29	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	77%	0.771	S	S	*	*			trans	60.8	115.1	154.9	-155	0	0	0	0	118.5	E254	S252-E254 VanDerWaalsContact C-N 3.3Å; S252-E254 PolarHBondContact O-N 2.99Å
253	L	27.4	Very low	28.8	Very low	183 Å²	183	139.4 Å²	139.4	96%	0.958	77%	0.769	S	S	*	*			trans	-58.4	83.8	162.2	-157.9	90.8	0	0	0	109.5
254	E	30	Very low	28.6	Very low	165 Å²	165	145.2 Å²	145.2	77%	0.771	78%	0.784	S	S	*	*			trans	-116.4	121.3	168.1	-113.9	177.3	177	0	0	109.3	S252 L256	S252-E254 VanDerWaalsContact C-N 3.3Å; S252-E254 PolarHBondContact O-N 2.99Å; E254-L256 PolarHBondContact O-N 3.17Å
255	E	29.5	Very low	28.3	Very low	195 Å²	195	145 Å²	145	91%	0.911	78%	0.784	S	S	*	*			trans	-55.4	102.7	-178.2	-67.4	174.8	143.5	0	0	110.8	P257	E255-P257 WeakPolarHBondContact O-CD 3.43Å
256	L	26.6	Very low	28	Very low	161 Å²	161	143 Å²	143	84%	0.843	78%	0.783	S	S	*	*			trans	-78.1	121.5	168.8	-81.2	168.6	0	0	0	109.2	E254 V258	E254-L256 PolarHBondContact O-N 3.17Å; L256-V258 PolarHBondContact O-N 3.43Å
257	P	30.5	Very low	27.9	Very low	106 Å²	106	148.3 Å²	148.3	69%	0.688	79%	0.791	S	S	*	*			trans	-65.8	131.5	176.5	25.2	-31.2	0	0	0	110.1	E255 I259	E255-P257 WeakPolarHBondContact O-CD 3.43Å; P257-I259 PolarHBondContact O-N 3.35Å
258	V	26.8	Very low	27.7	Very low	135 Å²	135	143 Å²	143	82%	0.818	78%	0.778	S	S	*	*			trans	-65.6	96.7	174.6	178.8	0	0	0	0	108	L256 E260	L256-V258 PolarHBondContact O-N 3.43Å; V258-E260 PolarHBondContact O-N 3.35Å
259	I	29.4	Very low	27.7	Very low	153 Å²	153	143.3 Å²	143.3	79%	0.785	78%	0.78	S	S	*	*			trans	-72.4	107.4	168.2	-60.8	173.6	0	0	0	106.3	P257 S261	P257-I259 PolarHBondContact O-N 3.35Å; I259-S261 PolarHBondContact O-N 3.37Å
260	E	28.5	Very low	27.7	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	79%	0.791	S	S	*	*			trans	-54.5	102.6	171.4	-73.9	-175.1	152.7	0	0	109.5	V258 S262	V258-E260 PolarHBondContact O-N 3.35Å; E260-S262 PolarHBondContact O-N 3.3Å; E260-S262 VanDerWaalsContact O-N 3.14Å
261	S	26.6	Very low	27.6	Very low	109 Å²	109	145.4 Å²	145.4	76%	0.762	79%	0.787	S	S	*	*			trans	-69.6	111.1	173	58.3	0	0	0	0	108.8	I259	I259-S261 PolarHBondContact O-N 3.37Å
262	S	27.4	Very low	27.5	Very low	102 Å²	102	146 Å²	146	71%	0.713	79%	0.788	S	S	*	*			trans	-52.6	133.1	175.1	-178.6	0	0	0	0	111.4	E260 F264	E260-S262 PolarHBondContact O-N 3.3Å; E260-S262 VanDerWaalsContact O-N 3.14Å; S262-F264 PolarHBondContact O-N 3.04Å
263	P	28.4	Very low	27.3	Very low	107 Å²	107	144 Å²	144	70%	0.695	79%	0.785	S	S	*	*			trans	-65.1	117.2	-179.8	24.2	-31.1	0	0	0	110.4	N265	P263-N265 PolarHBondContact O-N 3.03Å
264	F	25.4	Very low	27.5	Very low	202 Å²	202	144.8 Å²	144.8	89%	0.886	78%	0.78	S	S	*	*			trans	-59.6	100.6	174.2	-123.3	-96.3	0	0	0	109.8	S262 S266	S262-F264 PolarHBondContact O-N 3.04Å; F264-S266 PolarHBondContact O-N 3.22Å
265	N	25.9	Very low	27.5	Very low	133 Å²	133	145.6 Å²	145.6	71%	0.711	78%	0.784	S	S	*	*			trans	-73.6	81.5	177.3	-108	-16.4	0	0	0	110.2	P263 Y267	P263-N265 PolarHBondContact O-N 3.03Å; N265-Y267 VanDerWaalsContact OD1-CE2 3.29Å; N265-Y267 WeakPolarHBondContact OD1-CE2 3.41Å
266	S	25.5	Very low	27.5	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	78%	0.779	S	S	*	*			trans	-105.8	75.6	170.5	69.3	0	0	0	0	110.9	F264 A268	F264-S266 PolarHBondContact O-N 3.22Å; S266-A268 VanDerWaalsContact C-N 3.27Å; S266-A268 PolarHBondContact O-N 2.98Å; S266-A268 VanDerWaalsContact O-N 3.08Å
267	Y	27.4	Very low	27.9	Very low	202 Å²	202	143.4 Å²	143.4	79%	0.792	78%	0.779	S	S	*	*			trans	-79	78.6	164.7	-67.8	-79.5	0	0	0	109.3	N265 K269	N265-Y267 VanDerWaalsContact OD1-CE2 3.29Å; N265-Y267 WeakPolarHBondContact OD1-CE2 3.41Å; Y267-K269 VanDerWaalsContact C-N 3.31Å; Y267-K269 PolarHBondContact O-N 3.42Å
268	A	25.2	Very low	28.1	Very low	74 Å²	74	146.4 Å²	146.4	61%	0.612	79%	0.788	S	S	*	*			trans	-72.7	91.6	164.6	0	0	0	0	0	108.4	S266 Y270	S266-A268 VanDerWaalsContact C-N 3.27Å; S266-A268 PolarHBondContact O-N 2.98Å; S266-A268 VanDerWaalsContact O-N 3.08Å; A268-Y270 HydrophobicContact CB-CE2 4.34Å; A268-Y270 PolarHBondContact O-N 3.46Å
269	K	26.2	Very low	28.7	Very low	208 Å²	208	148.1 Å²	148.1	90%	0.904	79%	0.787	S	S	*	*			trans	-63.6	92.9	171.3	-118.2	178.5	-179.6	176.3	0	108.1	Y267 G271	Y267-K269 VanDerWaalsContact C-N 3.31Å; Y267-K269 PolarHBondContact O-N 3.42Å; K269-G271 VanDerWaalsContact C-N 3.34Å; K269-G271 PolarHBondContact O-N 3.21Å
270	Y	27.3	Very low	29.3	Very low	210 Å²	210	148 Å²	148	82%	0.824	79%	0.788	S	S	*	*			trans	-69.3	98.4	163.8	-79.8	-86.9	0	0	0	107.7	A268 I272	A268-Y270 HydrophobicContact CB-CE2 4.34Å; A268-Y270 PolarHBondContact O-N 3.46Å; Y270-I272 PolarHBondContact O-N 3.2Å
271	G	25	Very low	29.5	Very low	76 Å²	76	143.5 Å²	143.5	78%	0.784	79%	0.791	S	S	*	*			trans	-63.5	101.3	170.1	0	0	0	0	0	109.1	K269 G273	K269-G271 VanDerWaalsContact C-N 3.34Å; K269-G271 PolarHBondContact O-N 3.21Å; G271-G273 PolarHBondContact O-N 2.93Å; G271-G273 VanDerWaalsContact O-N 3.07Å
272	I	29.2	Very low	29.7	Very low	157 Å²	157	147.5 Å²	147.5	81%	0.805	79%	0.794	S	S	*	*			trans	-73	99.3	167.5	-61.8	170.7	0	0	0	105.7	Y270 K274	Y270-I272 PolarHBondContact O-N 3.2Å; I272-K274 PolarHBondContact O-N 2.93Å; I272-K274 VanDerWaalsContact O-N 3.14Å
273	G	26	Very low	30.1	Very low	64 Å²	64	149 Å²	149	66%	0.66	79%	0.793	S	S	*	*			trans	-55	116.6	173.6	0	0	0	0	0	109.6	G271 H275	G271-G273 PolarHBondContact O-N 2.93Å; G271-G273 VanDerWaalsContact O-N 3.07Å; G273-H275 PolarHBondContact O-N 3.45Å; G273-H275 VanDerWaalsContact O-N 3.12Å
274	K	31.6	Very low	30.3	Very low	198 Å²	198	148.4 Å²	148.4	86%	0.861	80%	0.797	S	S	*	*			trans	-70.9	102.8	170.7	-66.4	-175	179.3	-179.3	0	106.9	I272 E276	I272-K274 PolarHBondContact O-N 2.93Å; I272-K274 VanDerWaalsContact O-N 3.14Å; K274-E276 PolarHBondContact O-N 3.49Å; K274-E276 VanDerWaalsContact O-N 3.08Å
275	H	30	Very low	30.6	Very low	182 Å²	182	147.2 Å²	147.2	84%	0.843	79%	0.788	S	S	*	*			trans	-70.1	101.4	163.5	-103.4	-82.8	0	0	0	107.5	G273 T277	G273-H275 PolarHBondContact O-N 3.45Å; G273-H275 VanDerWaalsContact O-N 3.12Å; H275-T277 PolarHBondContact O-N 3.47Å; H275-T277 VanDerWaalsContact O-N 3.1Å
276	E	28.1	Very low	31.2	Very low	176 Å²	176	146.5 Å²	146.5	82%	0.822	79%	0.79	S	S	*	*			trans	-69.2	93.5	166.2	-74.6	179.1	159.7	0	0	108.2	K274 L278	K274-E276 PolarHBondContact O-N 3.49Å; K274-E276 VanDerWaalsContact O-N 3.08Å; E276-L278 PolarHBondContact O-N 3.01Å
277	T	35.4	Very low	31.6	Very low	135 Å²	135	148.5 Å²	148.5	83%	0.828	79%	0.791	S	S	*	*			trans	-84.4	105.5	159.7	5.1	0	0	0	0	107.7	H275 E279	H275-T277 PolarHBondContact O-N 3.47Å; H275-T277 VanDerWaalsContact O-N 3.1Å; T277-E279 VanDerWaalsContact C-N 3.28Å; T277-E279 PolarHBondContact O-N 3.22Å
278	L	34.5	Very low	31.9	Very low	169 Å²	169	144.1 Å²	144.1	89%	0.885	79%	0.786	S	S	*	*			trans	-75.3	70.2	-179.4	-169.7	107.9	0	0	0	110.7	E276	E276-L278 PolarHBondContact O-N 3.01Å
279	E	39.3	Very low	32.3	Very low	171 Å²	171	149.8 Å²	149.8	80%	0.799	80%	0.796	S	S	*	*	S	Bend	trans	-141.8	113.1	161.7	-77.2	-156.8	162.9	0	0	110.8	T277	T277-E279 VanDerWaalsContact C-N 3.28Å; T277-E279 PolarHBondContact O-N 3.22Å
280	N	42.2	Very low	32.8	Very low	149 Å²	149	150.2 Å²	150.2	80%	0.797	79%	0.794	S	S	*	*	S	Bend	trans	59.1	69.9	159	-61.9	-12.7	0	0	0	117.5	K282	N280-K282 PolarHBondContact O-N 2.79Å
281	G	32.5	Very low	33.2	Very low	88 Å²	88	147.8 Å²	147.8	91%	0.907	79%	0.788	S	S	*	*	S	Bend		59.3	7.3	126.3	0	0	0	0	0	120.4
282	K	31.4	Very low	33.9	Very low	193 Å²	193	153.1 Å²	153.1	84%	0.839	79%	0.792	S	S	*	*			trans	-112.7	103.2	174.6	-76.1	-179.6	-179.9	174.6	0	109.1	N280 A284	N280-K282 PolarHBondContact O-N 2.79Å; K282-A284 VanDerWaalsContact C-N 3.31Å; K282-A284 PolarHBondContact O-N 3.47Å
283	I	35.8	Very low	34.2	Very low	134 Å²	134	149.3 Å²	149.3	69%	0.687	78%	0.776	S	S	*	*			trans	-59.2	97.2	168.2	-58.3	171.2	0	0	0	107.1	Y285	I283-Y285 HydrophobicContact CB-CE2 4.2Å; I283-Y285 HydrophobicContact CG2-CD1 4.44Å; I283-Y285 HydrophobicContact CG2-CD2 4.12Å; I283-Y285 HydrophobicContact CG2-CE1 4.07Å; I283-Y285 HydrophobicContact CG2-CE2 3.71Å; I283-Y285 HydrophobicContact CG2-CG 4.47Å; I283-Y285 WeakPolarHBondContact O-CD2 3.43Å; I283-Y285 PolarHBondContact O-N 3.42Å; I283-Y285 VanDerWaalsContact O-N 3.1Å
284	A	31.6	Very low	34.7	Very low	93 Å²	93	150.8 Å²	150.8	77%	0.769	77%	0.773	S	S	*	*			trans	-77	93.9	174.1	0	0	0	0	0	107.7	K282	K282-A284 VanDerWaalsContact C-N 3.31Å; K282-A284 PolarHBondContact O-N 3.47Å
285	Y	33	Very low	35.1	Very low	178 Å²	178	148.1 Å²	148.1	70%	0.698	77%	0.767	S	S	*	*			trans	-63.1	132.9	168.5	-65.4	-84.5	0	0	0	108.7	I283 I287	I283-Y285 HydrophobicContact CB-CE2 4.2Å; I283-Y285 HydrophobicContact CG2-CD1 4.44Å; I283-Y285 HydrophobicContact CG2-CD2 4.12Å; I283-Y285 HydrophobicContact CG2-CE1 4.07Å; I283-Y285 HydrophobicContact CG2-CE2 3.71Å; I283-Y285 HydrophobicContact CG2-CG 4.47Å; I283-Y285 WeakPolarHBondContact O-CD2 3.43Å; I283-Y285 PolarHBondContact O-N 3.42Å; I283-Y285 VanDerWaalsContact O-N 3.1Å; Y285-I287 PolarHBondContact O-N 3.3Å
286	P	38.1	Very low	35.6	Very low	117 Å²	117	146 Å²	146	76%	0.76	76%	0.761	S	S	*	*			trans	-62.9	104.5	171.3	24.6	-30.7	0	0	0	108.4	T288	P286-T288 PolarHBondContact O-N 3.03Å
287	I	33	Very low	36.2	Very low	145 Å²	145	141.3 Å²	141.3	74%	0.744	74%	0.739	S	S	*	*			trans	-72.4	98.3	171.4	-59.2	172.7	0	0	0	106.5	Y285 K289	Y285-I287 PolarHBondContact O-N 3.3Å; I287-K289 HydrophobicContact CG2-CG 4.45Å; I287-K289 PolarHBondContact O-N 3.1Å
288	T	35.3	Very low	36.5	Very low	110 Å²	110	138.2 Å²	138.2	68%	0.675	72%	0.717	S	S	*	*			trans	-65.7	98.9	166.5	25.1	0	0	0	0	108.4	P286 Y290	P286-T288 PolarHBondContact O-N 3.03Å; T288-Y290 PolarHBondContact O-N 3Å
289	K	33.5	Very low	37	Very low	192 Å²	192	135 Å²	135	84%	0.835	70%	0.7	S	S	*	*			trans	-68.6	98.8	172.2	-69.3	-177.7	-179.6	178.6	0	108.6	I287 K291	I287-K289 HydrophobicContact CG2-CG 4.45Å; I287-K289 PolarHBondContact O-N 3.1Å; K289-K291 PolarHBondContact O-N 2.97Å; K289-K291 VanDerWaalsContact O-N 3.16Å
290	Y	35.2	Very low	37.2	Very low	218 Å²	218	130.3 Å²	130.3	86%	0.855	68%	0.684	S	S	*	*			trans	-69.9	107.1	163.6	-79	-88.1	0	0	0	108.2	T288 Q292	T288-Y290 PolarHBondContact O-N 3Å; Y290-Q292 PolarHBondContact O-N 2.88Å
291	K	37.5	Very low	37.7	Very low	159 Å²	159	130 Å²	130	69%	0.691	68%	0.676	S	S	*	*			trans	-71.3	111.6	171.7	-140.1	-169.1	178.8	-151.5	0	106.8	K289 T293 E297	K289-K291 PolarHBondContact O-N 2.97Å; K289-K291 VanDerWaalsContact O-N 3.16Å; K291-T293 PolarHBondContact O-N 2.72Å; K291-E297 IonicContact NZ-OE1 2.96Å; K291-E297 PolarHBondContact NZ-OE1 3.41Å
292	Q	38.7	Very low	38.4	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	67%	0.665	S	S	*	*			trans	-69	97.9	173.7	-159.8	174.6	10.4	0	0	107.1	Y290 T294	Y290-Q292 PolarHBondContact O-N 2.88Å; Q292-T294 PolarHBondContact O-N 3.04Å; Q292-T294 VanDerWaalsContact O-N 3.08Å
293	T	36.5	Very low	39.2	Very low	78 Å²	78	134.3 Å²	134.3	48%	0.479	66%	0.66	S	S	.	*			trans	-66.1	106.8	175.9	51.2	0	0	0	0	108	K291 E297	K291-T293 PolarHBondContact O-N 2.72Å; T293-E297 VanDerWaalsContact CG2-OE2 3.3Å; T293-E297 WeakPolarHBondContact CG2-OE2 3.47Å
294	T	36.4	Very low	40.1	Very low	95 Å²	95	134.5 Å²	134.5	58%	0.583	66%	0.658	S	S	*	*			trans	-61.8	147.7	166.6	28.9	0	0	0	0	109.1	Q292 L296 E297	Q292-T294 PolarHBondContact O-N 3.04Å; Q292-T294 VanDerWaalsContact O-N 3.08Å; T294-L296 PolarHBondContact O-N 3.03Å; T294-E297 PolarHBondContact O-N 3.03Å
295	L	39.4	Very low	41.1	Very low	142 Å²	142	135.7 Å²	135.7	74%	0.743	65%	0.648	S	S	*	*	H	α-helix	trans	-50.5	-24.5	-177.3	-145.5	113.5	0	0	0	113.3	I298	L295-I298 PolarHBondContact O-N 3.21Å
296	L	39.3	Very low	41.9	Very low	136 Å²	136	129.9 Å²	129.9	71%	0.712	64%	0.636	S	S	*	*	H	α-helix	trans	-65.7	-33.2	174.3	-79.7	153.2	0	0	0	114.5	T294 I298 P300	T294-L296 PolarHBondContact O-N 3.03Å; L296-I298 PolarHBondContact O-N 2.89Å; L296-P300 WeakPolarHBondContact O-CD 3.41Å
297	E	41.9	Very low	42.5	Very low	79 Å²	79	126.7 Å²	126.7	37%	0.369	62%	0.62	S	S	.	*	H	α-helix	trans	-72.4	-19.9	175.6	-85.3	-173	168.3	0	0	112	K291 T293 T294	K291-E297 IonicContact NZ-OE1 2.96Å; K291-E297 PolarHBondContact NZ-OE1 3.41Å; T293-E297 VanDerWaalsContact CG2-OE2 3.3Å; T293-E297 WeakPolarHBondContact CG2-OE2 3.47Å; T294-E297 PolarHBondContact O-N 3.03Å
298	I	42.4	Very low	43.5	Very low	69 Å²	69	127.4 Å²	127.4	35%	0.354	62%	0.618	S	S	.	*	H	α-helix	trans	-78.3	-37.4	-178.8	-59	175.8	0	0	0	110.6	L295 L296 K301 W302	L295-I298 PolarHBondContact O-N 3.21Å; L296-I298 PolarHBondContact O-N 2.89Å; I298-K301 PolarHBondContact O-N 2.95Å; I298-K301 VanDerWaalsContact O-N 3.16Å; I298-W302 HydrophobicContact CG2-CG 4.5Å; I298-W302 VanDerWaalsContact CG2-NE1 3.32Å; I298-W302 VanDerWaalsContact O-CD1 3.32Å; I298-W302 PolarHBondContact O-N 3.06Å
299	L	44.1	Very low	44.3	Very low	101 Å²	101	127.6 Å²	127.6	53%	0.529	61%	0.614	S	S	.	*	H	α-helix	trans	-57.9	-43.7	-174.3	-76.7	166.7	0	0	0	114.5	K301 R303	L299-K301 PolarHBondContact O-N 3.1Å; L299-R303 PolarHBondContact O-N 3.09Å
300	P	44.5	Very low	45.2	Very low	73 Å²	73	125.1 Å²	125.1	47%	0.474	61%	0.605	S	S	.	*	H	α-helix	trans	-64.3	-39.3	176.7	-21.8	32.2	0	0	0	112.9	L296 W302 R303 E304	L296-P300 WeakPolarHBondContact O-CD 3.41Å; P300-W302 VanDerWaalsContact C-N 3.35Å; P300-W302 PolarHBondContact O-N 3.06Å; P300-R303 WeakPolarHBondContact O-CB 3.31Å; P300-R303 PolarHBondContact O-N 3.1Å; P300-R303 VanDerWaalsContact O-N 3.12Å; P300-E304 PolarHBondContact O-N 2.83Å
301	K	51.8	Low	46	Very low	143 Å²	143	120.1 Å²	120.1	62%	0.622	59%	0.592	S	S	*	*	H	α-helix	trans	-65.3	-38.4	-178.3	-71.9	-173.5	176.5	-179.5	0	112.4	I298 L299 R303 E304 Q305	I298-K301 PolarHBondContact O-N 2.95Å; I298-K301 VanDerWaalsContact O-N 3.16Å; L299-K301 PolarHBondContact O-N 3.1Å; K301-R303 VanDerWaalsContact C-N 3.33Å; K301-E304 PolarHBondContact O-N 2.91Å; K301-Q305 WeakPolarHBondContact O-CG 3.28Å; K301-Q305 PolarHBondContact O-N 2.94Å; K301-Q305 VanDerWaalsContact O-N 3.13Å
302	W	46.6	Very low	46.4	Very low	176 Å²	176	115.2 Å²	115.2	67%	0.667	58%	0.578	S	S	*	*	H	α-helix	trans	-68.5	-33.4	174.4	-79	77	0	0	0	111.9	I298 P300 Q305 A306	I298-W302 HydrophobicContact CG2-CG 4.5Å; I298-W302 VanDerWaalsContact CG2-NE1 3.32Å; I298-W302 VanDerWaalsContact O-CD1 3.32Å; I298-W302 PolarHBondContact O-N 3.06Å; P300-W302 VanDerWaalsContact C-N 3.35Å; P300-W302 PolarHBondContact O-N 3.06Å; W302-Q305 PolarHBondContact O-N 3.18Å; W302-A306 VanDerWaalsContact O-CB 3.26Å; W302-A306 WeakPolarHBondContact O-CB 3.36Å; W302-A306 PolarHBondContact O-N 2.93Å
303	R	49.5	Very low	47	Very low	196 Å²	196	113.9 Å²	113.9	74%	0.74	57%	0.569	S	S	*	*	H	α-helix	trans	-66.6	-43.7	174	-74	-169.9	-173.8	-150.4	3.2	112.5	L299 P300 K301 Q305 A306 A307	L299-R303 PolarHBondContact O-N 3.09Å; P300-R303 WeakPolarHBondContact O-CB 3.31Å; P300-R303 PolarHBondContact O-N 3.1Å; P300-R303 VanDerWaalsContact O-N 3.12Å; K301-R303 VanDerWaalsContact C-N 3.33Å; R303-Q305 VanDerWaalsContact C-N 3.31Å; R303-Q305 PolarHBondContact O-N 2.85Å; R303-A306 PolarHBondContact O-N 2.81Å; R303-A307 WeakPolarHBondContact O-CB 3.48Å; R303-A307 PolarHBondContact O-N 2.9Å
304	E	53.3	Low	47.8	Very low	137 Å²	137	117.1 Å²	117.1	64%	0.64	58%	0.579	S	S	*	*	H	α-helix	trans	-62.8	-38.8	176.1	-75.4	-177.2	-179.4	0	0	112.2	P300 K301 K308	P300-E304 PolarHBondContact O-N 2.83Å; K301-E304 PolarHBondContact O-N 2.91Å; E304-K308 PolarHBondContact O-N 3.18Å
305	Q	53.3	Low	48.4	Very low	119 Å²	119	118.1 Å²	118.1	56%	0.556	59%	0.585	S	S	*	*	H	α-helix	trans	-68.8	-40.5	175.2	-74.7	-177.7	-26.3	0	0	112.4	K301 W302 R303 K308 L309	K301-Q305 WeakPolarHBondContact O-CG 3.28Å; K301-Q305 PolarHBondContact O-N 2.94Å; K301-Q305 VanDerWaalsContact O-N 3.13Å; W302-Q305 PolarHBondContact O-N 3.18Å; R303-Q305 VanDerWaalsContact C-N 3.31Å; R303-Q305 PolarHBondContact O-N 2.85Å; Q305-K308 PolarHBondContact O-N 2.73Å; Q305-L309 PolarHBondContact O-N 3.14Å
306	A	49.3	Very low	48.9	Very low	55 Å²	55	118.6 Å²	118.6	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-64.7	-40.6	175.4	0	0	0	0	0	111.8	W302 R303 L309 H310	W302-A306 VanDerWaalsContact O-CB 3.26Å; W302-A306 WeakPolarHBondContact O-CB 3.36Å; W302-A306 PolarHBondContact O-N 2.93Å; R303-A306 PolarHBondContact O-N 2.81Å; A306-L309 PolarHBondContact O-N 3.01Å; A306-H310 PolarHBondContact O-N 2.91Å
307	A	51.7	Low	49.1	Very low	51 Å²	51	120 Å²	120	42%	0.421	61%	0.608	S	S	.	*	H	α-helix	trans	-62.8	-43.3	175	0	0	0	0	0	111.6	R303 L309 H310 L311	R303-A307 WeakPolarHBondContact O-CB 3.48Å; R303-A307 PolarHBondContact O-N 2.9Å; A307-L309 VanDerWaalsContact C-N 3.34Å; A307-L309 PolarHBondContact O-N 3.18Å; A307-H310 PolarHBondContact O-N 3.02Å; A307-L311 VanDerWaalsContact O-CD1 3.29Å; A307-L311 WeakPolarHBondContact O-CD1 3.38Å; A307-L311 PolarHBondContact O-N 3Å
308	K	53.6	Low	49.5	Very low	160 Å²	160	122 Å²	122	70%	0.696	62%	0.62	S	S	*	*	H	α-helix	trans	-61	-40	174.3	-81.4	-179.9	176.9	176.9	0	112.9	E304 Q305 H310 L311 S312	E304-K308 PolarHBondContact O-N 3.18Å; Q305-K308 PolarHBondContact O-N 2.73Å; K308-H310 VanDerWaalsContact C-N 3.35Å; K308-L311 PolarHBondContact O-N 2.95Å; K308-S312 PolarHBondContact O-N 2.99Å
309	L	52.6	Low	49.9	Very low	114 Å²	114	124.8 Å²	124.8	60%	0.597	63%	0.634	S	S	*	*	H	α-helix	trans	-68.1	-33	175.8	-82.7	164.4	0	0	0	112.8	Q305 A306 A307 S312 K313	Q305-L309 PolarHBondContact O-N 3.14Å; A306-L309 PolarHBondContact O-N 3.01Å; A307-L309 VanDerWaalsContact C-N 3.34Å; A307-L309 PolarHBondContact O-N 3.18Å; L309-S312 PolarHBondContact O-OG 3.03Å; L309-S312 VanDerWaalsContact O-OG 3.05Å; L309-K313 PolarHBondContact O-N 3.07Å
310	H	51.3	Low	50.2	Low	139 Å²	139	126.1 Å²	126.1	64%	0.644	64%	0.639	S	S	*	*	H	α-helix	trans	-70.2	-41.7	175.9	-123.6	-80.8	0	0	0	111.6	A306 A307 K308 K313 Q314	A306-H310 PolarHBondContact O-N 2.91Å; A307-H310 PolarHBondContact O-N 3.02Å; K308-H310 VanDerWaalsContact C-N 3.35Å; H310-K313 PolarHBondContact O-N 3.08Å; H310-Q314 PolarHBondContact O-N 3.12Å
311	L	51.5	Low	50.5	Low	114 Å²	114	129.2 Å²	129.2	60%	0.597	65%	0.649	S	S	*	*	H	α-helix	trans	-63.8	-41.1	174.4	-91.5	102.7	0	0	0	112.1	A307 K308 K313 Q314 T315	A307-L311 VanDerWaalsContact O-CD1 3.29Å; A307-L311 WeakPolarHBondContact O-CD1 3.38Å; A307-L311 PolarHBondContact O-N 3Å; K308-L311 PolarHBondContact O-N 2.95Å; L311-K313 PolarHBondContact O-N 3.14Å; L311-Q314 PolarHBondContact O-N 3.08Å; L311-Q314 VanDerWaalsContact O-N 3.1Å; L311-T315 PolarHBondContact O-N 3.1Å; L311-T315 PolarHBondContact O-OG1 3.44Å
312	S	46.4	Very low	50.5	Low	55 Å²	55	128.4 Å²	128.4	39%	0.385	65%	0.651	S	S	.	*	H	α-helix	trans	-65.5	-22.7	-179.7	69.7	0	0	0	0	113.5	K308 L309 I316	K308-S312 PolarHBondContact O-N 2.99Å; L309-S312 PolarHBondContact O-OG 3.03Å; L309-S312 VanDerWaalsContact O-OG 3.05Å; S312-I316 WeakPolarHBondContact O-CD1 3.29Å; S312-I316 WeakPolarHBondContact O-CG1 3.42Å
313	K	51.6	Low	50.7	Low	160 Å²	160	125.2 Å²	125.2	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-80.2	-29.8	174.5	-74.4	-174	177.7	-174.9	0	112.8	L309 H310 L311	L309-K313 PolarHBondContact O-N 3.07Å; H310-K313 PolarHBondContact O-N 3.08Å; L311-K313 PolarHBondContact O-N 3.14Å
314	Q	53.2	Low	50.8	Low	146 Å²	146	120.1 Å²	120.1	68%	0.682	64%	0.643	S	S	*	*	H	α-helix	trans	-74.2	-26.8	175.6	-85.5	-178	-16.9	0	0	112.9	H310 L311 I316	H310-Q314 PolarHBondContact O-N 3.12Å; L311-Q314 PolarHBondContact O-N 3.08Å; L311-Q314 VanDerWaalsContact O-N 3.1Å; Q314-I316 VanDerWaalsContact C-N 3.25Å; Q314-I316 PolarHBondContact O-N 3.01Å
315	T	50	Low	50.6	Low	116 Å²	116	118.8 Å²	118.8	71%	0.712	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-2.6	178.3	-25.2	0	0	0	0	113.9	L311	L311-T315 PolarHBondContact O-N 3.1Å; L311-T315 PolarHBondContact O-OG1 3.44Å
316	I	48.9	Very low	50.4	Low	152 Å²	152	118.8 Å²	118.8	78%	0.779	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	5.5	179.9	-56.5	171.1	0	0	0	111.4	S312 Q314	S312-I316 WeakPolarHBondContact O-CD1 3.29Å; S312-I316 WeakPolarHBondContact O-CG1 3.42Å; Q314-I316 VanDerWaalsContact C-N 3.25Å; Q314-I316 PolarHBondContact O-N 3.01Å
317	S	44.6	Very low	50.5	Low	164 Å²	164	124.6 Å²	124.6	100%	1.147	67%	0.669	S	S	*	*			trans	-105.3	0	168.8	-172.2	0	0	0	0	111

Retrieved 317 of 317 residues in 39.3 ms (Link to these results)

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