A0A5K4F4C4_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4C4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 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	29.2	Very low	27.6	Very low	217 Å²	217	161.8 Å²	161.8	100%	1.069	79%	0.792	S	S	*	*				0	116.8	0	-85.7	177.3	167	0	0	106.4
2	F	24.8	Very low	27.8	Very low	187 Å²	187	157 Å²	157	82%	0.82	79%	0.787	S	S	*	*			cis	-123	175.8	-2.6	-83.1	-93.4	0	0	0	111.4
3	Y	21.7	Very low	28.1	Very low	218 Å²	218	156.1 Å²	156.1	86%	0.855	79%	0.786	S	S	*	*			trans	-114.1	-173.9	-177.7	-114.6	-98.4	0	0	0	109.1
4	V	25.1	Very low	28.5	Very low	127 Å²	127	153.1 Å²	153.1	77%	0.77	77%	0.773	S	S	*	*			trans	82.7	138.7	161	-171.6	0	0	0	0	115.5
5	Q	26.3	Very low	28.6	Very low	139 Å²	139	151.1 Å²	151.1	65%	0.65	77%	0.766	S	S	*	*			cis	-167.3	148.9	-30.2	-178.9	149.6	-48.2	0	0	107.2	E7	Q5-E7 PolarHBondContact NE2-OE1 2.99Å
6	C	24.8	Very low	28.8	Very low	125 Å²	125	153.6 Å²	153.6	85%	0.845	77%	0.77	S	S	*	*			trans	-91.9	136.5	164.2	-58.5	0	0	0	0	109.4
7	E	30.3	Very low	28.7	Very low	159 Å²	159	152.5 Å²	152.5	74%	0.743	77%	0.768	S	S	*	*			trans	-141.3	154.3	170.5	-147.8	129.1	-95.3	0	0	111.7	Q5	Q5-E7 PolarHBondContact NE2-OE1 2.99Å
8	K	29.9	Very low	28.8	Very low	190 Å²	190	151.7 Å²	151.7	83%	0.826	77%	0.766	S	S	*	*			trans	-121.5	146.9	-179.3	-60.3	172.1	178.7	174.9	0	109.4
9	H	31.1	Very low	28.9	Very low	167 Å²	167	150.3 Å²	150.3	77%	0.773	76%	0.76	S	S	*	*			trans	-141.9	137.9	142	-79	-65.8	0	0	0	105.8
10	S	30.2	Very low	29.1	Very low	83 Å²	83	148.9 Å²	148.9	58%	0.58	76%	0.759	S	S	*	*				60.9	143	50.4	91.4	0	0	0	0	111.6
11	E	30	Very low	29.1	Very low	168 Å²	168	150.3 Å²	150.3	79%	0.785	76%	0.762	S	S	*	*			cis	-155.2	-174.8	14.8	-153.2	147.9	-148	0	0	109.4
12	S	30.2	Very low	29.4	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	74%	0.742	S	S	*	*			trans	35.3	126.3	158.8	61.3	0	0	0	0	119.1
13	D	32.4	Very low	29.8	Very low	145 Å²	145	141.6 Å²	141.6	78%	0.775	74%	0.739	S	S	*	*			cis	-171.6	-174.7	36.1	-142.8	29.4	0	0	0	108.1
14	N	32.9	Very low	30.3	Very low	114 Å²	114	137.8 Å²	137.8	61%	0.61	73%	0.733	S	S	*	*			cis	-148	-175.6	7.9	-178.7	-117.9	0	0	0	108.8
15	D	29.9	Very low	30.4	Very low	124 Å²	124	139.8 Å²	139.8	66%	0.663	73%	0.731	S	S	*	*			trans	-54.8	145.8	170.8	-63.6	-62	0	0	0	114.3
16	F	32.1	Very low	30.6	Very low	190 Å²	190	140.9 Å²	140.9	83%	0.833	74%	0.741	S	S	*	*				-175.8	147.6	98.1	-114.5	-92.5	0	0	0	113.1
17	N	27.8	Very low	30.8	Very low	136 Å²	136	139.1 Å²	139.1	73%	0.727	73%	0.728	S	S	*	*			trans	-65.1	155.4	160.6	-53.3	-75.5	0	0	0	108.5
18	D	30.1	Very low	30.8	Very low	138 Å²	138	140 Å²	140	74%	0.738	73%	0.733	S	S	*	*				-179.8	164.3	74.5	-130.3	-15.7	0	0	0	114.2
19	I	30.2	Very low	30.8	Very low	125 Å²	125	137.5 Å²	137.5	64%	0.641	73%	0.727	S	S	*	*			trans	67.2	105.9	140.5	-75.8	163.9	0	0	0	121.6
20	T	32.2	Very low	30.6	Very low	121 Å²	121	134.8 Å²	134.8	74%	0.742	72%	0.723	S	S	*	*			trans	71.4	159.6	134.2	65.7	0	0	0	0	121.6
21	E	30.6	Very low	30.5	Very low	179 Å²	179	140.9 Å²	140.9	84%	0.836	73%	0.733	S	S	*	*			cis	-150	179.5	-11.3	-116.8	-152.3	139.1	0	0	109.4
22	P	35.6	Very low	30.3	Very low	98 Å²	98	141 Å²	141	64%	0.636	74%	0.736	S	S	*	*			trans	-116	-137.3	-155.2	46.1	-38.5	0	0	0	115.2
23	T	31.6	Very low	30.1	Very low	124 Å²	124	146.2 Å²	146.2	76%	0.761	75%	0.745	S	S	*	*			trans	90.8	152.1	-179.2	76.4	0	0	0	0	115.3
24	L	32.1	Very low	30	Very low	138 Å²	138	149.4 Å²	149.4	72%	0.723	75%	0.752	S	S	*	*			cis	-146.9	129.1	12.3	-163.7	78.1	0	0	0	113.5
25	F	29	Very low	29.7	Very low	169 Å²	169	147.3 Å²	147.3	74%	0.741	76%	0.757	S	S	*	*			trans	25.9	133.2	149.5	-68.9	-118.1	0	0	0	122.3	P27	F25-P27 HydrophobicContact CD1-CG 4.13Å
26	N	30.1	Very low	29.7	Very low	161 Å²	161	149.5 Å²	149.5	86%	0.861	77%	0.767	S	S	*	*				-155.1	116.4	103.1	-154.1	-9.1	0	0	0	112.5
27	P	27.9	Very low	29.6	Very low	88 Å²	88	149.2 Å²	149.2	57%	0.571	77%	0.768	S	S	*	*			trans	-117.4	123.1	-169	37.5	-27.5	0	0	0	116.5	F25	F25-P27 HydrophobicContact CD1-CG 4.13Å
28	Q	31.2	Very low	29.6	Very low	178 Å²	178	151.4 Å²	151.4	83%	0.832	77%	0.774	S	S	*	*			trans	-153.6	149.5	154.4	-65.8	-163.6	40.5	0	0	108.7
29	L	28.6	Very low	29.7	Very low	137 Å²	137	150.7 Å²	150.7	72%	0.717	78%	0.777	S	S	*	*			cis	-151.9	142.2	-18.5	-131.6	74	0	0	0	103.8
30	V	27.4	Very low	29.8	Very low	111 Å²	111	150.2 Å²	150.2	67%	0.673	79%	0.785	S	S	*	*			cis	66.2	117.6	33.1	-174.1	0	0	0	0	110.5
31	R	27.7	Very low	29.6	Very low	211 Å²	211	152.3 Å²	152.3	80%	0.796	79%	0.791	S	S	*	*			cis	-153.1	142.7	8.1	-158.9	-179.6	-85.2	156	-8.8	105.1
32	M	25.9	Very low	29.6	Very low	171 Å²	171	149.4 Å²	149.4	84%	0.842	79%	0.791	S	S	*	*				173	142.5	82.7	-83.7	-178.6	168.8	0	0	109.3
33	K	27.4	Very low	29.3	Very low	213 Å²	213	152.5 Å²	152.5	93%	0.926	80%	0.797	S	S	*	*			trans	-157.4	76.9	156.9	-166.4	176.9	-176.7	176.6	0	112.2
34	K	29.6	Very low	29.2	Very low	211 Å²	211	153.2 Å²	153.2	92%	0.917	80%	0.8	S	S	*	*			trans	-160.7	125.9	162.4	-154.1	170.8	-173.1	176.6	0	112.4
35	G	25.8	Very low	29	Very low	70 Å²	70	152.3 Å²	152.3	72%	0.722	80%	0.796	S	S	*	*			trans	76.3	109	160.6	0	0	0	0	0	117.1
36	I	30.6	Very low	28.9	Very low	170 Å²	170	151.6 Å²	151.6	87%	0.872	80%	0.798	S	S	*	*			trans	-157.2	144.9	132.2	-99.6	153.1	0	0	0	106.4
37	E	30.2	Very low	29	Very low	184 Å²	184	152 Å²	152	86%	0.86	80%	0.796	S	S	*	*			trans	-92.6	139.8	-177.2	-64.9	143.4	139.9	0	0	110.9
38	H	27.3	Very low	29.2	Very low	182 Å²	182	156 Å²	156	84%	0.843	81%	0.806	S	S	*	*			trans	-82.1	153.3	150.8	-74.9	-61.2	0	0	0	107.7
39	P	32.5	Very low	29.2	Very low	124 Å²	124	154.6 Å²	154.6	81%	0.805	80%	0.803	S	S	*	*			cis	-147	162.4	40.5	41.2	-22.2	0	0	0	118.5
40	S	32.5	Very low	29.5	Very low	115 Å²	115	155.6 Å²	155.6	80%	0.804	80%	0.804	S	S	*	*			trans	-168	145.7	146.3	59	0	0	0	0	111
41	D	27.9	Very low	29.8	Very low	164 Å²	164	157.2 Å²	157.2	88%	0.877	80%	0.804	S	S	*	*			trans	-65.1	148.1	-169.9	-50.7	-90.1	0	0	0	116.9
42	S	30.7	Very low	30.2	Very low	119 Å²	119	154.3 Å²	154.3	83%	0.832	80%	0.799	S	S	*	*			trans	-155.3	105.2	140.1	66.1	0	0	0	0	112.1
43	H	28.5	Very low	30.8	Very low	163 Å²	163	152.8 Å²	152.8	76%	0.755	79%	0.79	S	S	*	*			trans	-54.8	130.2	176.1	-136.2	-50.1	0	0	0	113.3	D45	H43-D45 IonicContact CE1-OD2 2.99Å; H43-D45 PolarHBondContact CE1-OD2 3.2Å; H43-D45 IonicContact ND1-OD2 3.04Å; H43-D45 PolarHBondContact ND1-OD2 3.04Å
44	V	30.2	Very low	31.4	Very low	138 Å²	138	147.4 Å²	147.4	84%	0.836	77%	0.771	S	S	*	*			trans	-149	113.8	145.4	-175.9	0	0	0	0	108.6
45	D	28.5	Very low	32	Very low	120 Å²	120	143.3 Å²	143.3	64%	0.642	76%	0.759	S	S	*	*			trans	-101.7	146	162.1	-66.4	-85.1	0	0	0	109.1	H43	H43-D45 IonicContact CE1-OD2 2.99Å; H43-D45 PolarHBondContact CE1-OD2 3.2Å; H43-D45 IonicContact ND1-OD2 3.04Å; H43-D45 PolarHBondContact ND1-OD2 3.04Å
46	I	26.9	Very low	33	Very low	153 Å²	153	145.8 Å²	145.8	79%	0.785	75%	0.752	S	S	*	*			trans	-178.4	161.5	152.1	-98.6	151.4	0	0	0	108.7
47	E	31.4	Very low	33.9	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	73%	0.729	S	S	*	*			trans	67.4	58.4	174.7	-78.5	164.1	-136.9	0	0	117.4
48	H	31.8	Very low	34.6	Very low	170 Å²	170	135.2 Å²	135.2	79%	0.787	71%	0.705	S	S	*	*			trans	-129.9	96.4	152.4	-108.6	41.2	0	0	0	110
49	I	32.7	Very low	35.6	Very low	149 Å²	149	132.8 Å²	132.8	76%	0.764	69%	0.692	S	S	*	*	S	Bend	trans	-163.8	-48.1	164.1	-103.7	145.4	0	0	0	112	Q51	I49-Q51 PolarHBondContact O-N 3.47Å
50	E	33.1	Very low	36.6	Very low	159 Å²	159	131.2 Å²	131.2	74%	0.743	68%	0.677	S	S	*	*	H	α-helix	trans	-72.4	-32.8	-170.3	-63.9	-168.1	142.2	0	0	114.4	Q52 H53	E50-Q52 VanDerWaalsContact C-N 3.26Å; E50-Q52 PolarHBondContact O-N 3.25Å; E50-H53 PolarHBondContact O-N 3.22Å
51	Q	35.6	Very low	37.4	Very low	144 Å²	144	131 Å²	131	67%	0.673	66%	0.663	S	S	*	*	H	α-helix	trans	-64.6	-25.1	-174.1	-66.9	-178.6	-0.5	0	0	113.9	I49 L55	I49-Q51 PolarHBondContact O-N 3.47Å; Q51-L55 PolarHBondContact O-N 3.38Å
52	Q	35.4	Very low	38.3	Very low	151 Å²	151	125.2 Å²	125.2	71%	0.706	63%	0.632	S	S	*	*	H	α-helix	trans	-70.6	-39.6	177.3	-76.4	-176.9	-28.5	0	0	112.2	E50 N54 L55 E56	E50-Q52 VanDerWaalsContact C-N 3.26Å; E50-Q52 PolarHBondContact O-N 3.25Å; Q52-N54 VanDerWaalsContact C-N 3.32Å; Q52-N54 PolarHBondContact O-N 3.18Å; Q52-L55 PolarHBondContact O-N 3.39Å; Q52-E56 PolarHBondContact O-N 2.8Å
53	H	37.4	Very low	39.3	Very low	138 Å²	138	123.6 Å²	123.6	64%	0.639	61%	0.614	S	S	*	*	H	α-helix	trans	-67.6	-33.7	-174.3	-147	-55	0	0	0	112.4	E50 T57	E50-H53 PolarHBondContact O-N 3.22Å; H53-T57 PolarHBondContact O-N 3.29Å; H53-T57 PolarHBondContact O-OG1 2.73Å
54	N	41.1	Very low	40.4	Very low	100 Å²	100	120.3 Å²	120.3	54%	0.535	60%	0.601	S	S	.	*	H	α-helix	trans	-75	-34	177	-67	-17.2	0	0	0	112.1	Q52 T57 L58	Q52-N54 VanDerWaalsContact C-N 3.32Å; Q52-N54 PolarHBondContact O-N 3.18Å; N54-T57 WeakPolarHBondContact O-CB 3.38Å; N54-T57 PolarHBondContact O-N 2.68Å; N54-L58 PolarHBondContact O-N 3.2Å
55	L	42.5	Very low	41.3	Very low	125 Å²	125	114.9 Å²	114.9	65%	0.654	57%	0.568	S	S	*	*	H	α-helix	trans	-70.1	-37.9	178.4	-167.8	69.5	0	0	0	112.3	Q51 Q52 L58 K59	Q51-L55 PolarHBondContact O-N 3.38Å; Q52-L55 PolarHBondContact O-N 3.39Å; L55-L58 PolarHBondContact O-N 3.43Å; L55-K59 WeakPolarHBondContact O-CB 3.5Å; L55-K59 PolarHBondContact O-N 3.5Å; L55-K59 VanDerWaalsContact O-N 3.1Å
56	E	45.9	Very low	42.1	Very low	123 Å²	123	112.3 Å²	112.3	58%	0.575	55%	0.554	S	S	*	*	H	α-helix	trans	-64.9	-42.5	171.9	-67.4	-167.6	127.7	0	0	111.4	Q52 L58 K59 D60	Q52-E56 PolarHBondContact O-N 2.8Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.13Å; E56-K59 WeakPolarHBondContact O-CB 3.46Å; E56-K59 PolarHBondContact O-N 3.32Å; E56-K59 VanDerWaalsContact O-N 3.13Å; E56-D60 PolarHBondContact O-N 2.92Å
57	T	49.2	Very low	43	Very low	66 Å²	66	111.1 Å²	111.1	41%	0.405	54%	0.543	S	S	.	.	H	α-helix	trans	-57.6	-41.4	175.7	-55.2	0	0	0	0	112.4	H53 N54 H61	H53-T57 PolarHBondContact O-N 3.29Å; H53-T57 PolarHBondContact O-OG1 2.73Å; N54-T57 WeakPolarHBondContact O-CB 3.38Å; N54-T57 PolarHBondContact O-N 2.68Å; T57-H61 PolarHBondContact O-N 3.34Å; T57-H61 PolarHBondContact O-ND1 3.23Å
58	L	45.4	Very low	43.7	Very low	65 Å²	65	105.8 Å²	105.8	34%	0.34	52%	0.52	S	S	.	.	H	α-helix	trans	-69.2	-38.6	177.9	-145	168.2	0	0	0	111.5	N54 L55 E56 D60 H61 L62 L86	N54-L58 PolarHBondContact O-N 3.2Å; L55-L58 PolarHBondContact O-N 3.43Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.13Å; L58-D60 PolarHBondContact O-N 3.4Å; L58-H61 PolarHBondContact O-N 3.44Å; L58-L62 PolarHBondContact O-N 2.84Å; L58-L62 VanDerWaalsContact O-N 3.07Å; L58-L86 HydrophobicContact CD2-CD1 4.02Å
59	K	48.6	Very low	44	Very low	131 Å²	131	101.3 Å²	101.3	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-65.4	-36.1	177	-166.3	-178.9	-176.4	-173.6	0	112.6	L55 E56 L62 N63	L55-K59 WeakPolarHBondContact O-CB 3.5Å; L55-K59 PolarHBondContact O-N 3.5Å; L55-K59 VanDerWaalsContact O-N 3.1Å; E56-K59 WeakPolarHBondContact O-CB 3.46Å; E56-K59 PolarHBondContact O-N 3.32Å; E56-K59 VanDerWaalsContact O-N 3.13Å; K59-L62 PolarHBondContact O-N 3.16Å; K59-N63 WeakPolarHBondContact O-CB 3.43Å; K59-N63 PolarHBondContact O-N 2.92Å; K59-N63 PolarHBondContact O-ND2 2.69Å
60	D	53.8	Low	44.2	Very low	91 Å²	91	102.2 Å²	102.2	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-73.9	-35	176.4	-77.3	-16.9	0	0	0	113	E56 L58 L62 N63 N64	E56-D60 PolarHBondContact O-N 2.92Å; L58-D60 PolarHBondContact O-N 3.4Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 3.5Å; D60-N63 PolarHBondContact O-N 2.82Å; D60-N63 PolarHBondContact OD1-ND2 3.22Å; D60-N64 WeakPolarHBondContact O-CB 3.16Å; D60-N64 PolarHBondContact O-N 2.76Å; D60-N64 PolarHBondContact O-ND2 2.88Å; D60-N64 VanDerWaalsContact O-ND2 3.16Å
61	H	49	Very low	44.6	Very low	111 Å²	111	99.6 Å²	99.6	51%	0.514	49%	0.488	S	S	.	.	H	α-helix	trans	-60.9	-42.1	167.8	-74.5	96.5	0	0	0	111.7	T57 L58 N64 L65	T57-H61 PolarHBondContact O-N 3.34Å; T57-H61 PolarHBondContact O-ND1 3.23Å; L58-H61 PolarHBondContact O-N 3.44Å; H61-N64 PolarHBondContact O-N 2.8Å; H61-L65 PolarHBondContact O-N 3.13Å
62	L	46.7	Very low	44.5	Very low	43 Å²	43	95 Å²	95	23%	0.225	47%	0.468	C	S	.	.	H	α-helix	trans	-66.6	-41.7	176.2	-167.6	82.3	0	0	0	112.6	L58 K59 D60 N64 L65 N66 M109	L58-L62 PolarHBondContact O-N 2.84Å; L58-L62 VanDerWaalsContact O-N 3.07Å; K59-L62 PolarHBondContact O-N 3.16Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 3.5Å; L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 2.97Å; L62-L65 PolarHBondContact O-N 2.77Å; L62-N66 WeakPolarHBondContact O-CB 3.35Å; L62-N66 PolarHBondContact O-N 2.83Å; L62-N66 PolarHBondContact O-ND2 2.79Å; L62-M109 HydrophobicContact CD1-CE 4.45Å; L62-M109 HydrophobicContact CD1-SD 3.59Å; L62-M109 VanDerWaalsContact CD1-SD 3.59Å; L62-M109 HydrophobicContact CD2-SD 3.37Å; L62-M109 WeakPolarHBondContact CD2-SD 3.14Å; L62-M109 HydrophobicContact CG-SD 4.12Å
63	N	52.8	Low	44.7	Very low	85 Å²	85	95.4 Å²	95.4	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-58.9	-42.7	173.7	-74.8	-33	0	0	0	110.9	K59 D60 K67	K59-N63 WeakPolarHBondContact O-CB 3.43Å; K59-N63 PolarHBondContact O-N 2.92Å; K59-N63 PolarHBondContact O-ND2 2.69Å; D60-N63 PolarHBondContact O-N 2.82Å; D60-N63 PolarHBondContact OD1-ND2 3.22Å; N63-K67 WeakPolarHBondContact O-CB 3.21Å; N63-K67 PolarHBondContact O-N 3.26Å
64	N	50.5	Low	44.6	Very low	93 Å²	93	95.1 Å²	95.1	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-45.1	174.5	-76.2	-37.8	0	0	0	112.1	D60 H61 L62 N66 K67 I68	D60-N64 WeakPolarHBondContact O-CB 3.16Å; D60-N64 PolarHBondContact O-N 2.76Å; D60-N64 PolarHBondContact O-ND2 2.88Å; D60-N64 VanDerWaalsContact O-ND2 3.16Å; H61-N64 PolarHBondContact O-N 2.8Å; L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 2.97Å; N64-N66 PolarHBondContact O-N 2.79Å; N64-K67 PolarHBondContact O-N 3.1Å; N64-I68 VanDerWaalsContact O-CB 3.32Å; N64-I68 WeakPolarHBondContact O-CB 3.47Å; N64-I68 WeakPolarHBondContact O-CD1 3.07Å; N64-I68 WeakPolarHBondContact O-CG1 3.38Å; N64-I68 PolarHBondContact O-N 3.38Å
65	L	48.5	Very low	44.2	Very low	24 Å²	24	98.4 Å²	98.4	13%	0.126	50%	0.495	C	S	.	.	H	α-helix	trans	-62.7	-40.5	177.4	-82	167.5	0	0	0	113.3	H61 L62 N69 D82 L86	H61-L65 PolarHBondContact O-N 3.13Å; L62-L65 PolarHBondContact O-N 2.77Å; L65-N69 PolarHBondContact O-N 3.07Å; L65-N69 PolarHBondContact O-ND2 2.89Å; L65-D82 HydrophobicContact CD2-CB 4.04Å; L65-L86 HydrophobicContact CD1-CD2 4.49Å
66	N	45.4	Very low	43.9	Very low	66 Å²	66	99.8 Å²	99.8	35%	0.353	50%	0.496	S	S	.	.	H	α-helix	trans	-70.9	-41	175.5	-77.7	-34.6	0	0	0	111.4	L62 N64 I68 N69 Y70	L62-N66 WeakPolarHBondContact O-CB 3.35Å; L62-N66 PolarHBondContact O-N 2.83Å; L62-N66 PolarHBondContact O-ND2 2.79Å; N64-N66 PolarHBondContact O-N 2.79Å; N66-I68 VanDerWaalsContact C-N 3.34Å; N66-I68 PolarHBondContact O-N 2.71Å; N66-N69 PolarHBondContact O-N 2.77Å; N66-N69 VanDerWaalsContact O-N 3.07Å; N66-Y70 WeakPolarHBondContact O-CD2 3.16Å; N66-Y70 PolarHBondContact O-N 3.48Å
67	K	46.7	Very low	43.4	Very low	128 Å²	128	100.7 Å²	100.7	56%	0.557	50%	0.503	S	S	*	.	H	α-helix	trans	-60.9	-42.9	173.2	-175.4	171.9	-177.5	-177.6	0	111.7	N63 N64 N69 Y70 D71	N63-K67 WeakPolarHBondContact O-CB 3.21Å; N63-K67 PolarHBondContact O-N 3.26Å; N64-K67 PolarHBondContact O-N 3.1Å; K67-N69 VanDerWaalsContact C-N 3.26Å; K67-N69 PolarHBondContact O-N 3.46Å; K67-Y70 PolarHBondContact O-N 3.06Å; K67-Y70 VanDerWaalsContact O-N 3.14Å; K67-D71 WeakPolarHBondContact CE-OD2 3.48Å; K67-D71 WeakPolarHBondContact CG-OD2 3.46Å; K67-D71 WeakPolarHBondContact O-CB 3.37Å; K67-D71 PolarHBondContact O-N 2.87Å
68	I	45.7	Very low	42.9	Very low	60 Å²	60	99.9 Å²	99.9	31%	0.308	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-31.3	173.3	-70.6	163.4	0	0	0	111.5	N64 N66 N72 V78	N64-I68 VanDerWaalsContact O-CB 3.32Å; N64-I68 WeakPolarHBondContact O-CB 3.47Å; N64-I68 WeakPolarHBondContact O-CD1 3.07Å; N64-I68 WeakPolarHBondContact O-CG1 3.38Å; N64-I68 PolarHBondContact O-N 3.38Å; N66-I68 VanDerWaalsContact C-N 3.34Å; N66-I68 PolarHBondContact O-N 2.71Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.41Å; I68-N72 WeakPolarHBondContact O-CB 3.32Å; I68-N72 VanDerWaalsContact O-CG 3.29Å; I68-N72 PolarHBondContact O-N 3.23Å; I68-N72 PolarHBondContact O-ND2 2.79Å; I68-V78 HydrophobicContact CG2-CG2 3.83Å
69	N	38.5	Very low	42.6	Very low	76 Å²	76	99.9 Å²	99.9	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-76.6	-28.3	173.3	-87	-93.3	0	0	0	113.8	L65 N66 K67	L65-N69 PolarHBondContact O-N 3.07Å; L65-N69 PolarHBondContact O-ND2 2.89Å; N66-N69 PolarHBondContact O-N 2.77Å; N66-N69 VanDerWaalsContact O-N 3.07Å; K67-N69 VanDerWaalsContact C-N 3.26Å; K67-N69 PolarHBondContact O-N 3.46Å
70	Y	37	Very low	42.3	Very low	167 Å²	167	100.4 Å²	100.4	66%	0.655	51%	0.51	S	S	*	.	H	α-helix	trans	-87.3	-32.6	178	-89	-85.6	0	0	0	113.6	N66 K67	N66-Y70 WeakPolarHBondContact O-CD2 3.16Å; N66-Y70 PolarHBondContact O-N 3.48Å; K67-Y70 PolarHBondContact O-N 3.06Å; K67-Y70 VanDerWaalsContact O-N 3.14Å
71	D	40.3	Very low	41.9	Very low	105 Å²	105	101.7 Å²	101.7	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-82.4	-13.7	177.8	-69.9	-23.1	0	0	0	112.7	K67 N73	K67-D71 WeakPolarHBondContact CE-OD2 3.48Å; K67-D71 WeakPolarHBondContact CG-OD2 3.46Å; K67-D71 WeakPolarHBondContact O-CB 3.37Å; K67-D71 PolarHBondContact O-N 2.87Å; D71-N73 VanDerWaalsContact C-N 3.32Å; D71-N73 PolarHBondContact O-N 3.4Å
72	N	34.1	Very low	41.9	Very low	48 Å²	48	99.8 Å²	99.8	26%	0.257	51%	0.507	S	S	.	.			trans	-81.5	64.6	-177.4	-99.1	-39	0	0	0	114.9	I68 K76	I68-N72 WeakPolarHBondContact CG2-ND2 3.41Å; I68-N72 WeakPolarHBondContact O-CB 3.32Å; I68-N72 VanDerWaalsContact O-CG 3.29Å; I68-N72 PolarHBondContact O-N 3.23Å; I68-N72 PolarHBondContact O-ND2 2.79Å; N72-K76 PolarHBondContact ND2-O 3.49Å; N72-K76 VanDerWaalsContact OD1-CB 3.29Å; N72-K76 WeakPolarHBondContact OD1-CB 3.41Å; N72-K76 PolarHBondContact OD1-N 2.9Å; N72-K76 PolarHBondContact OD1-O 3.48Å
73	N	38.9	Very low	41.9	Very low	158 Å²	158	101.6 Å²	101.6	85%	0.845	51%	0.514	S	S	*	.	S	Bend	trans	-87.9	6.5	146	-87.2	-30.9	0	0	0	112.2	D71	D71-N73 VanDerWaalsContact C-N 3.32Å; D71-N73 PolarHBondContact O-N 3.4Å
74	N	35.6	Very low	41.7	Very low	133 Å²	133	102 Å²	102	71%	0.711	52%	0.515	S	S	*	.	S	Bend	trans	-132.5	70.3	-174.1	-76.6	-53.9	0	0	0	113.6	K76	N74-K76 PolarHBondContact O-N 3.27Å
75	N	33.1	Very low	41.7	Very low	168 Å²	168	101.2 Å²	101.2	90%	0.898	51%	0.511	S	S	*	.			trans	50.5	8	156.7	-76.8	-4.1	0	0	0	120.5	I77	N75-I77 PolarHBondContact O-N 2.82Å
76	K	36	Very low	41.9	Very low	154 Å²	154	101.8 Å²	101.8	67%	0.67	51%	0.514	S	S	*	.			trans	-84.7	87.5	-179	-156.9	178.8	-173.5	-174.5	0	110.2	N72 N74 V78	N72-K76 PolarHBondContact ND2-O 3.49Å; N72-K76 VanDerWaalsContact OD1-CB 3.29Å; N72-K76 WeakPolarHBondContact OD1-CB 3.41Å; N72-K76 PolarHBondContact OD1-N 2.9Å; N72-K76 PolarHBondContact OD1-O 3.48Å; N74-K76 PolarHBondContact O-N 3.27Å; K76-V78 PolarHBondContact O-N 2.9Å; K76-V78 VanDerWaalsContact O-N 3.12Å
77	I	35.5	Very low	41.9	Very low	142 Å²	142	103.4 Å²	103.4	73%	0.728	52%	0.522	S	S	*	.			trans	-41.3	117.6	176.8	-60.1	171	0	0	0	109.8	N75 T79	N75-I77 PolarHBondContact O-N 2.82Å; I77-T79 HydrophobicContact CG2-CG2 4.48Å; I77-T79 PolarHBondContact O-N 3.14Å; I77-T79 VanDerWaalsContact O-N 3.14Å
78	V	39.4	Very low	42	Very low	49 Å²	49	102.5 Å²	102.5	30%	0.297	52%	0.52	S	S	.	.			trans	-67.3	109.6	164.6	177	0	0	0	0	105.7	I68 K76	I68-V78 HydrophobicContact CG2-CG2 3.83Å; K76-V78 PolarHBondContact O-N 2.9Å; K76-V78 VanDerWaalsContact O-N 3.12Å
79	T	38.3	Very low	42.4	Very low	65 Å²	65	102.1 Å²	102.1	40%	0.399	53%	0.526	S	S	.	.			trans	-80.4	150.2	-173.8	70.8	0	0	0	0	109.5	I77 H81 D82	I77-T79 HydrophobicContact CG2-CG2 4.48Å; I77-T79 PolarHBondContact O-N 3.14Å; I77-T79 VanDerWaalsContact O-N 3.14Å; T79-H81 PolarHBondContact O-N 3.35Å; T79-H81 WeakPolarHBondContact OG1-CB 3.29Å; T79-H81 PolarHBondContact OG1-N 3.33Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 PolarHBondContact O-N 3.07Å; T79-D82 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact OG1-OD2 3.04Å
80	N	42.4	Very low	42.7	Very low	142 Å²	142	101.1 Å²	101.1	76%	0.759	52%	0.52	S	S	*	.	H	α-helix	trans	-53.9	-19.7	170.6	-75.3	-4.5	0	0	0	112.5	L84	N80-L84 WeakPolarHBondContact O-CB 3.13Å; N80-L84 PolarHBondContact O-N 2.8Å
81	H	45	Very low	43.1	Very low	119 Å²	119	97.2 Å²	97.2	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-68.6	-34.5	-179.3	-142.3	29.4	0	0	0	112.5	T79 L84 N85	T79-H81 PolarHBondContact O-N 3.35Å; T79-H81 WeakPolarHBondContact OG1-CB 3.29Å; T79-H81 PolarHBondContact OG1-N 3.33Å; H81-L84 PolarHBondContact O-N 2.98Å; H81-N85 VanDerWaalsContact O-CB 3.32Å; H81-N85 WeakPolarHBondContact O-CB 3.17Å; H81-N85 PolarHBondContact O-N 2.91Å; H81-N85 PolarHBondContact O-ND2 3.05Å; H81-N85 VanDerWaalsContact O-ND2 3.15Å
82	D	48.9	Very low	43.3	Very low	71 Å²	71	98.4 Å²	98.4	38%	0.38	52%	0.524	S	S	.	.	H	α-helix	trans	-73.6	-40.5	-179.2	-55	-64.5	0	0	0	111.5	L65 T79 L86	L65-D82 HydrophobicContact CD2-CB 4.04Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 PolarHBondContact O-N 3.07Å; T79-D82 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact OG1-OD2 3.04Å; D82-L86 PolarHBondContact O-N 3.47Å
83	E	47.1	Very low	43.8	Very low	81 Å²	81	102.1 Å²	102.1	38%	0.379	54%	0.539	S	S	.	.	H	α-helix	trans	-72.1	-33.9	172	-65.8	-166.5	147.8	0	0	111.7	L86 L87 R113	E83-L86 PolarHBondContact O-N 2.93Å; E83-L87 VanDerWaalsContact O-CG 3.3Å; E83-L87 WeakPolarHBondContact O-CG 3.37Å; E83-L87 PolarHBondContact O-N 3.12Å; E83-R113 IonicContact OE1-CZ 3.99Å; E83-R113 IonicContact OE1-NH1 3.35Å; E83-R113 PolarHBondContact OE1-NH1 3.47Å; E83-R113 IonicContact OE1-NH2 3.58Å
84	L	48.8	Very low	43.8	Very low	93 Å²	93	99 Å²	99	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-41.5	174.2	-171.4	73.7	0	0	0	112.4	N80 H81 L86 L87 Q88	N80-L84 WeakPolarHBondContact O-CB 3.13Å; N80-L84 PolarHBondContact O-N 2.8Å; H81-L84 PolarHBondContact O-N 2.98Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 2.83Å; L84-L87 PolarHBondContact O-N 3.14Å; L84-Q88 WeakPolarHBondContact O-CB 3.49Å; L84-Q88 PolarHBondContact O-N 2.76Å
85	N	50.8	Low	44.1	Very low	76 Å²	76	99.1 Å²	99.1	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-37.7	176.2	-74.5	-26	0	0	0	111.3	H81 Q88 A89	H81-N85 VanDerWaalsContact O-CB 3.32Å; H81-N85 WeakPolarHBondContact O-CB 3.17Å; H81-N85 PolarHBondContact O-N 2.91Å; H81-N85 PolarHBondContact O-ND2 3.05Å; H81-N85 VanDerWaalsContact O-ND2 3.15Å; N85-Q88 PolarHBondContact O-N 3.41Å; N85-A89 WeakPolarHBondContact O-CB 3.3Å; N85-A89 PolarHBondContact O-N 2.94Å
86	L	52.2	Low	44.4	Very low	36 Å²	36	100.2 Å²	100.2	19%	0.188	52%	0.52	C	S	.	.	H	α-helix	trans	-63.8	-45.5	173.1	-161.7	78.3	0	0	0	111.4	L58 L65 D82 E83 L84 Q88 A89 L90	L58-L86 HydrophobicContact CD2-CD1 4.02Å; L65-L86 HydrophobicContact CD1-CD2 4.49Å; D82-L86 PolarHBondContact O-N 3.47Å; E83-L86 PolarHBondContact O-N 2.93Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 2.83Å; L86-Q88 VanDerWaalsContact C-N 3.35Å; L86-Q88 PolarHBondContact O-N 3.46Å; L86-A89 PolarHBondContact O-N 2.98Å; L86-L90 HydrophobicContact CG-CD1 4.5Å; L86-L90 VanDerWaalsContact O-CG 3.32Å; L86-L90 WeakPolarHBondContact O-CG 3.32Å; L86-L90 PolarHBondContact O-N 3.4Å; L86-L90 VanDerWaalsContact O-N 3.11Å
87	L	45	Very low	44.8	Very low	101 Å²	101	97.7 Å²	97.7	53%	0.529	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-38.4	175.4	-71.9	166.6	0	0	0	112.4	E83 L84 L90 S91	E83-L87 VanDerWaalsContact O-CG 3.3Å; E83-L87 WeakPolarHBondContact O-CG 3.37Å; E83-L87 PolarHBondContact O-N 3.12Å; L84-L87 PolarHBondContact O-N 3.14Å; L87-L90 PolarHBondContact O-N 3.25Å; L87-S91 VanDerWaalsContact O-CB 3.28Å; L87-S91 WeakPolarHBondContact O-CB 3.17Å; L87-S91 PolarHBondContact O-N 3.4Å
88	Q	50.5	Low	45.2	Very low	109 Å²	109	95.7 Å²	95.7	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-72.6	-37.1	179.9	-166.9	168.3	14	0	0	112.2	L84 N85 L86 L90 S91 N92	L84-Q88 WeakPolarHBondContact O-CB 3.49Å; L84-Q88 PolarHBondContact O-N 2.76Å; N85-Q88 PolarHBondContact O-N 3.41Å; L86-Q88 VanDerWaalsContact C-N 3.35Å; L86-Q88 PolarHBondContact O-N 3.46Å; Q88-L90 VanDerWaalsContact C-N 3.33Å; Q88-S91 PolarHBondContact O-N 3.11Å; Q88-N92 PolarHBondContact O-N 3.15Å
89	A	52.9	Low	45.1	Very low	52 Å²	52	97.9 Å²	97.9	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-64	-35.9	172	0	0	0	0	0	112.6	N85 L86	N85-A89 WeakPolarHBondContact O-CB 3.3Å; N85-A89 PolarHBondContact O-N 2.94Å; L86-A89 PolarHBondContact O-N 2.98Å
90	L	44.5	Very low	44.9	Very low	54 Å²	54	101.7 Å²	101.7	28%	0.283	53%	0.533	S	S	.	.	H	α-helix	trans	-74.4	-40.5	174.9	-68.9	167	0	0	0	112.2	L86 L87 Q88 N92 H93	L86-L90 HydrophobicContact CG-CD1 4.5Å; L86-L90 VanDerWaalsContact O-CG 3.32Å; L86-L90 WeakPolarHBondContact O-CG 3.32Å; L86-L90 PolarHBondContact O-N 3.4Å; L86-L90 VanDerWaalsContact O-N 3.11Å; L87-L90 PolarHBondContact O-N 3.25Å; Q88-L90 VanDerWaalsContact C-N 3.33Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.48Å; L90-H93 PolarHBondContact O-N 2.86Å
91	S	46.1	Very low	44.4	Very low	85 Å²	85	98.9 Å²	98.9	59%	0.594	52%	0.524	S	S	*	.	H	α-helix	trans	-61.4	-36.8	-179.9	-171.8	0	0	0	0	113.4	L87 Q88 H93	L87-S91 VanDerWaalsContact O-CB 3.28Å; L87-S91 WeakPolarHBondContact O-CB 3.17Å; L87-S91 PolarHBondContact O-N 3.4Å; Q88-S91 PolarHBondContact O-N 3.11Å; S91-H93 PolarHBondContact O-N 3.1Å
92	N	43.9	Very low	43.9	Very low	131 Å²	131	96.2 Å²	96.2	70%	0.701	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.1	-177.5	-73.6	-9.7	0	0	0	114.5	Q88 L90	Q88-N92 PolarHBondContact O-N 3.15Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.48Å
93	H	45.7	Very low	43.2	Very low	126 Å²	126	95.5 Å²	95.5	58%	0.583	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	10	-170.3	-125.5	-57.5	0	0	0	115	L90 S91 D95	L90-H93 PolarHBondContact O-N 2.86Å; S91-H93 PolarHBondContact O-N 3.1Å; H93-D95 VanDerWaalsContact C-N 3.33Å; H93-D95 PolarHBondContact O-N 3.46Å
94	N	38.3	Very low	42.5	Very low	91 Å²	91	94.7 Å²	94.7	49%	0.487	51%	0.509	S	S	.	.			trans	-87	43.2	-155.3	-131.7	56.3	0	0	0	116.4	K96 E99	N94-K96 VanDerWaalsContact C-N 3.29Å; N94-K96 PolarHBondContact O-N 3.48Å; N94-E99 PolarHBondContact ND2-OE1 3.33Å
95	D	41.4	Very low	41.8	Very low	137 Å²	137	94 Å²	94	73%	0.733	51%	0.508	S	S	*	.			trans	-81.4	69.2	175.4	-97.8	-43.4	0	0	0	113	H93 S97	H93-D95 VanDerWaalsContact C-N 3.33Å; H93-D95 PolarHBondContact O-N 3.46Å; D95-S97 PolarHBondContact O-N 3.34Å; D95-S97 PolarHBondContact O-OG 3.27Å
96	K	41	Very low	41.2	Very low	190 Å²	190	94.3 Å²	94.3	83%	0.826	51%	0.506	S	S	*	.	S	Bend	trans	50.9	11.8	149.5	-66.1	178.1	178.2	168.6	0	119.9	N94	N94-K96 VanDerWaalsContact C-N 3.29Å; N94-K96 PolarHBondContact O-N 3.48Å
97	S	43.3	Very low	40.5	Very low	101 Å²	101	93.9 Å²	93.9	71%	0.706	50%	0.504	S	S	*	.	S	Bend	trans	-147.3	-20.9	-175.1	55.5	0	0	0	0	114.5	D95	D95-S97 PolarHBondContact O-N 3.34Å; D95-S97 PolarHBondContact O-OG 3.27Å
98	N	44.7	Very low	40.1	Very low	100 Å²	100	92.5 Å²	92.5	54%	0.535	50%	0.495	S	S	.	.	S	Bend	trans	-107.5	0.1	-176.5	-78	-38.9	0	0	0	115	Q100 S101	N98-Q100 PolarHBondContact O-N 2.8Å; N98-Q100 VanDerWaalsContact O-N 3.1Å; N98-S101 PolarHBondContact O-N 3.49Å
99	E	35.7	Very low	39.7	Very low	96 Å²	96	90.4 Å²	90.4	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-56.6	-30.1	-170.9	-68.6	-180	107.1	0	0	114.7	N94 T102 T103	N94-E99 PolarHBondContact ND2-OE1 3.33Å; E99-T102 PolarHBondContact O-OG1 2.92Å; E99-T103 WeakPolarHBondContact O-CB 3.42Å; E99-T103 PolarHBondContact O-OG1 3.22Å
100	Q	34.2	Very low	39.1	Very low	145 Å²	145	91.3 Å²	91.3	68%	0.678	48%	0.483	S	S	*	.	H	α-helix	trans	-72.6	-44.5	179.5	-70.5	178.6	-48.3	0	0	112.6	N98 T102 T103 Y104	N98-Q100 PolarHBondContact O-N 2.8Å; N98-Q100 VanDerWaalsContact O-N 3.1Å; Q100-T102 PolarHBondContact O-N 3.46Å; Q100-T103 PolarHBondContact O-N 3.23Å; Q100-Y104 HydrophobicContact CB-CE2 4.21Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.33Å; Q100-Y104 PolarHBondContact O-N 3.28Å
101	S	33.1	Very low	38.8	Very low	83 Å²	83	90.1 Å²	90.1	58%	0.58	48%	0.478	S	S	*	.	H	α-helix	trans	-69.7	-36.3	-170.1	-171.4	0	0	0	0	113.6	N98 T105	N98-S101 PolarHBondContact O-N 3.49Å; S101-T105 PolarHBondContact O-OG1 2.74Å
102	T	33.9	Very low	38.5	Very low	63 Å²	63	91.2 Å²	91.2	39%	0.387	47%	0.473	S	S	.	.	H	α-helix	trans	-68.8	-38.2	173.8	49.5	0	0	0	0	111.6	E99 Q100 F106	E99-T102 PolarHBondContact O-OG1 2.92Å; Q100-T102 PolarHBondContact O-N 3.46Å; T102-F106 PolarHBondContact O-N 3.24Å
103	T	33.9	Very low	38.4	Very low	56 Å²	56	90.9 Å²	90.9	34%	0.344	46%	0.462	S	S	.	.	H	α-helix	trans	-66.3	-45.4	-177.3	-59.9	0	0	0	0	112.7	E99 Q100 T105 F106 I107	E99-T103 WeakPolarHBondContact O-CB 3.42Å; E99-T103 PolarHBondContact O-OG1 3.22Å; Q100-T103 PolarHBondContact O-N 3.23Å; T103-T105 PolarHBondContact O-N 3.18Å; T103-F106 WeakPolarHBondContact O-CB 3.44Å; T103-F106 PolarHBondContact O-N 2.87Å; T103-I107 HydrophobicContact CG2-CD1 3.79Å; T103-I107 WeakPolarHBondContact O-CG1 3.42Å; T103-I107 PolarHBondContact O-N 2.93Å
104	Y	32.1	Very low	38.2	Very low	64 Å²	64	88.9 Å²	88.9	25%	0.251	46%	0.459	S	S	.	.	H	α-helix	trans	-62.4	-42.5	177.6	-70.7	-64.4	0	0	0	112.6	Q100 F106 I107 E108 D284	Q100-Y104 HydrophobicContact CB-CE2 4.21Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.33Å; Q100-Y104 PolarHBondContact O-N 3.28Å; Y104-F106 VanDerWaalsContact C-N 3.27Å; Y104-F106 PolarHBondContact O-N 3.14Å; Y104-I107 PolarHBondContact O-N 3.39Å; Y104-I107 VanDerWaalsContact O-N 3.12Å; Y104-E108 PolarHBondContact O-N 3.05Å; Y104-D284 HydrophobicContact CD1-CB 3.87Å; Y104-D284 WeakPolarHBondContact CD1-OD1 3.47Å; Y104-D284 HydrophobicContact CE1-CB 3.69Å; Y104-D284 HydrophobicContact CG-CB 4.5Å; Y104-D284 VanDerWaalsContact CG-OD1 3.26Å
105	T	35.8	Very low	38.3	Very low	78 Å²	78	87.3 Å²	87.3	48%	0.479	45%	0.452	S	S	.	.	H	α-helix	trans	-59.8	-38.6	176.9	-48.1	0	0	0	0	111.7	S101 T103 M109	S101-T105 PolarHBondContact O-OG1 2.74Å; T103-T105 PolarHBondContact O-N 3.18Å; T105-M109 VanDerWaalsContact O-CG 3.3Å; T105-M109 WeakPolarHBondContact O-CG 3.35Å; T105-M109 PolarHBondContact O-N 3.36Å
106	F	37.9	Very low	38.5	Very low	83 Å²	83	84.9 Å²	84.9	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-67.2	-39.7	175.1	176.4	-104.3	0	0	0	112.7	T102 T103 Y104 M109 I110	T102-F106 PolarHBondContact O-N 3.24Å; T103-F106 WeakPolarHBondContact O-CB 3.44Å; T103-F106 PolarHBondContact O-N 2.87Å; Y104-F106 VanDerWaalsContact C-N 3.27Å; Y104-F106 PolarHBondContact O-N 3.14Å; F106-M109 PolarHBondContact O-N 2.88Å; F106-I110 HydrophobicContact CD1-CD1 3.91Å; F106-I110 HydrophobicContact CE1-CD1 3.44Å; F106-I110 VanDerWaalsContact CE1-CD1 3.44Å; F106-I110 HydrophobicContact CE2-CD1 4.24Å; F106-I110 HydrophobicContact CG-CD1 4.49Å; F106-I110 HydrophobicContact CZ-CD1 3.64Å; F106-I110 WeakPolarHBondContact O-CG1 3.41Å; F106-I110 PolarHBondContact O-N 3.02Å
107	I	36	Very low	38.8	Very low	26 Å²	26	83 Å²	83	13%	0.133	43%	0.432	C	S	.	.	H	α-helix	trans	-68.8	-45.8	179.6	-71.6	168.6	0	0	0	111.6	T103 Y104 M109 I110 V111 I619 N620	T103-I107 HydrophobicContact CG2-CD1 3.79Å; T103-I107 WeakPolarHBondContact O-CG1 3.42Å; T103-I107 PolarHBondContact O-N 2.93Å; Y104-I107 PolarHBondContact O-N 3.39Å; Y104-I107 VanDerWaalsContact O-N 3.12Å; I107-M109 VanDerWaalsContact C-N 3.3Å; I107-M109 PolarHBondContact O-N 3.5Å; I107-I110 PolarHBondContact O-N 2.7Å; I107-V111 WeakPolarHBondContact O-CG2 2.91Å; I107-V111 PolarHBondContact O-N 3.07Å; I107-I619 HydrophobicContact CG2-CB 4.31Å; I107-I619 HydrophobicContact CG2-CD1 3.97Å; I107-I619 HydrophobicContact CG2-CG1 4.06Å; I107-N620 VanDerWaalsContact CD1-ND2 3.32Å; I107-N620 WeakPolarHBondContact CD1-ND2 3.39Å
108	E	37.4	Very low	39	Very low	73 Å²	73	81.3 Å²	81.3	34%	0.341	41%	0.41	S	S	.	.	H	α-helix	trans	-57.2	-43.5	172.4	-88.6	-149.5	114.7	0	0	112	Y104 I110 V111 Q112 P283	Y104-E108 PolarHBondContact O-N 3.05Å; E108-I110 VanDerWaalsContact C-N 3.27Å; E108-I110 PolarHBondContact O-N 2.86Å; E108-V111 PolarHBondContact O-N 2.89Å; E108-Q112 WeakPolarHBondContact O-CB 3.41Å; E108-Q112 WeakPolarHBondContact O-CG 3.44Å; E108-Q112 PolarHBondContact O-N 3.44Å; E108-P283 HydrophobicContact CG-CB 3.79Å; E108-P283 WeakPolarHBondContact CG-O 3.43Å; E108-P283 WeakPolarHBondContact OE2-CB 3.31Å
109	M	42.2	Very low	39.1	Very low	64 Å²	64	78.6 Å²	78.6	32%	0.315	40%	0.395	S	S	.	.	H	α-helix	trans	-60.3	-37	175.9	-75.7	-171.2	-61.1	0	0	111.9	L62 T105 F106 I107 R113	L62-M109 HydrophobicContact CD1-CE 4.45Å; L62-M109 HydrophobicContact CD1-SD 3.59Å; L62-M109 VanDerWaalsContact CD1-SD 3.59Å; L62-M109 HydrophobicContact CD2-SD 3.37Å; L62-M109 WeakPolarHBondContact CD2-SD 3.14Å; L62-M109 HydrophobicContact CG-SD 4.12Å; T105-M109 VanDerWaalsContact O-CG 3.3Å; T105-M109 WeakPolarHBondContact O-CG 3.35Å; T105-M109 PolarHBondContact O-N 3.36Å; F106-M109 PolarHBondContact O-N 2.88Å; I107-M109 VanDerWaalsContact C-N 3.3Å; I107-M109 PolarHBondContact O-N 3.5Å; M109-R113 WeakPolarHBondContact O-CA 3.28Å; M109-R113 WeakPolarHBondContact O-CB 3.49Å; M109-R113 PolarHBondContact O-N 2.73Å
110	I	39.5	Very low	39.6	Very low	72 Å²	72	77.1 Å²	77.1	37%	0.369	39%	0.39	S	S	.	.	H	α-helix	trans	-68.9	-43.3	174.3	-70.6	169.4	0	0	0	111.3	F106 I107 E108 R113 T114	F106-I110 HydrophobicContact CD1-CD1 3.91Å; F106-I110 HydrophobicContact CE1-CD1 3.44Å; F106-I110 VanDerWaalsContact CE1-CD1 3.44Å; F106-I110 HydrophobicContact CE2-CD1 4.24Å; F106-I110 HydrophobicContact CG-CD1 4.49Å; F106-I110 HydrophobicContact CZ-CD1 3.64Å; F106-I110 WeakPolarHBondContact O-CG1 3.41Å; F106-I110 PolarHBondContact O-N 3.02Å; I107-I110 PolarHBondContact O-N 2.7Å; E108-I110 VanDerWaalsContact C-N 3.27Å; E108-I110 PolarHBondContact O-N 2.86Å; I110-R113 PolarHBondContact O-N 2.99Å; I110-T114 VanDerWaalsContact O-CB 3.25Å; I110-T114 WeakPolarHBondContact O-CB 3.49Å; I110-T114 PolarHBondContact O-N 2.79Å; I110-T114 PolarHBondContact O-OG1 3.42Å
111	V	39.1	Very low	40.3	Very low	29 Å²	29	72 Å²	72	18%	0.176	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-50.8	177.9	175.5	0	0	0	0	110.6	I107 E108 R113 T114 V115 I286 I619	I107-V111 WeakPolarHBondContact O-CG2 2.91Å; I107-V111 PolarHBondContact O-N 3.07Å; E108-V111 PolarHBondContact O-N 2.89Å; V111-R113 PolarHBondContact O-N 3.36Å; V111-T114 CarbonylContact O-C 3.56Å; V111-T114 WeakPolarHBondContact O-CA 3.18Å; V111-T114 WeakPolarHBondContact O-CB 3.27Å; V111-T114 PolarHBondContact O-N 3.23Å; V111-V115 HydrophobicContact CG1-CG2 4.34Å; V111-V115 PolarHBondContact O-N 2.6Å; V111-I286 HydrophobicContact CG1-CD1 3.96Å; V111-I286 HydrophobicContact CG1-CG1 4.22Å; V111-I286 HydrophobicContact CG2-CD1 3.75Å; V111-I286 HydrophobicContact CG2-CG1 4.25Å; V111-I619 HydrophobicContact CG2-CD1 3.59Å
112	Q	39.2	Very low	41	Very low	108 Å²	108	70.2 Å²	70.2	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-41.7	176	-68.6	-171.3	16.3	0	0	111.5	E108 T114 N116	E108-Q112 WeakPolarHBondContact O-CB 3.41Å; E108-Q112 WeakPolarHBondContact O-CG 3.44Å; E108-Q112 PolarHBondContact O-N 3.44Å; Q112-T114 PolarHBondContact O-N 3.09Å; Q112-N116 WeakPolarHBondContact O-CA 3.28Å; Q112-N116 WeakPolarHBondContact O-CB 3.27Å; Q112-N116 PolarHBondContact O-N 2.89Å; Q112-N116 PolarHBondContact O-ND2 2.95Å; Q112-N116 VanDerWaalsContact O-ND2 3.11Å
113	R	42.7	Very low	41.5	Very low	123 Å²	123	75 Å²	75	46%	0.464	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-29.2	173.1	-170.6	176.6	-173.3	-163.7	1.1	111.3	E83 M109 I110 V111 K117	E83-R113 IonicContact OE1-CZ 3.99Å; E83-R113 IonicContact OE1-NH1 3.35Å; E83-R113 PolarHBondContact OE1-NH1 3.47Å; E83-R113 IonicContact OE1-NH2 3.58Å; M109-R113 WeakPolarHBondContact O-CA 3.28Å; M109-R113 WeakPolarHBondContact O-CB 3.49Å; M109-R113 PolarHBondContact O-N 2.73Å; I110-R113 PolarHBondContact O-N 2.99Å; V111-R113 PolarHBondContact O-N 3.36Å; R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 PolarHBondContact O-N 3.45Å
114	T	40.3	Very low	42.1	Very low	84 Å²	84	76.8 Å²	76.8	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-81.3	-46.9	178	-58.3	0	0	0	0	112.6	I110 V111 Q112 K117 Y118	I110-T114 VanDerWaalsContact O-CB 3.25Å; I110-T114 WeakPolarHBondContact O-CB 3.49Å; I110-T114 PolarHBondContact O-N 2.79Å; I110-T114 PolarHBondContact O-OG1 3.42Å; V111-T114 CarbonylContact O-C 3.56Å; V111-T114 WeakPolarHBondContact O-CA 3.18Å; V111-T114 WeakPolarHBondContact O-CB 3.27Å; V111-T114 PolarHBondContact O-N 3.23Å; Q112-T114 PolarHBondContact O-N 3.09Å; T114-K117 CarbonylContact O-C 3.55Å; T114-K117 PolarHBondContact O-N 3.01Å; T114-Y118 WeakPolarHBondContact O-CB 3.33Å; T114-Y118 PolarHBondContact O-N 3.2Å
115	V	42	Very low	43	Very low	58 Å²	58	78.3 Å²	78.3	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-42.8	175.3	175.5	0	0	0	0	110.6	V111 K117 Y118 M119 F291	V111-V115 HydrophobicContact CG1-CG2 4.34Å; V111-V115 PolarHBondContact O-N 2.6Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 3.41Å; V115-Y118 PolarHBondContact O-N 3.1Å; V115-M119 HydrophobicContact CG1-CG 4.49Å; V115-M119 WeakPolarHBondContact O-CB 3.28Å; V115-M119 PolarHBondContact O-N 3.19Å; V115-F291 HydrophobicContact CG1-CE2 4.22Å
116	N	45.3	Very low	43.9	Very low	86 Å²	86	76.9 Å²	76.9	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-64.1	-38.3	171.8	-69.8	-34.9	0	0	0	111	Q112 Y118 N120	Q112-N116 WeakPolarHBondContact O-CA 3.28Å; Q112-N116 WeakPolarHBondContact O-CB 3.27Å; Q112-N116 PolarHBondContact O-N 2.89Å; Q112-N116 PolarHBondContact O-ND2 2.95Å; Q112-N116 VanDerWaalsContact O-ND2 3.11Å; N116-Y118 VanDerWaalsContact C-N 3.34Å; N116-Y118 PolarHBondContact O-N 3.33Å; N116-N120 WeakPolarHBondContact O-CA 3.46Å; N116-N120 WeakPolarHBondContact O-CB 3.28Å; N116-N120 PolarHBondContact O-N 3.11Å
117	K	47.7	Very low	44.9	Very low	152 Å²	152	75.4 Å²	75.4	66%	0.661	37%	0.371	S	S	*	.	H	α-helix	trans	-66.2	-33.9	172.9	-177.7	174.5	-176.5	178.2	0	112.4	R113 T114 V115 V121	R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 PolarHBondContact O-N 3.45Å; T114-K117 CarbonylContact O-C 3.55Å; T114-K117 PolarHBondContact O-N 3.01Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 3.41Å; K117-V121 VanDerWaalsContact O-CB 3.27Å; K117-V121 WeakPolarHBondContact O-CB 3.32Å; K117-V121 WeakPolarHBondContact O-CG2 3.43Å; K117-V121 PolarHBondContact O-N 3.43Å
118	Y	47.2	Very low	46.1	Very low	64 Å²	64	75.3 Å²	75.3	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-71.6	-51.4	176.3	-172.3	-105.2	0	0	0	111.7	T114 V115 N116 N120 V121 I122 L132	T114-Y118 WeakPolarHBondContact O-CB 3.33Å; T114-Y118 PolarHBondContact O-N 3.2Å; V115-Y118 PolarHBondContact O-N 3.1Å; N116-Y118 VanDerWaalsContact C-N 3.34Å; N116-Y118 PolarHBondContact O-N 3.33Å; Y118-N120 VanDerWaalsContact C-N 3.33Å; Y118-N120 PolarHBondContact O-N 3.21Å; Y118-V121 CarbonylContact O-C 3.59Å; Y118-V121 WeakPolarHBondContact O-CA 3.38Å; Y118-V121 WeakPolarHBondContact O-CB 3.27Å; Y118-V121 PolarHBondContact O-N 3.39Å; Y118-V121 VanDerWaalsContact O-N 3.14Å; Y118-I122 HydrophobicContact CD1-CD1 3.76Å; Y118-I122 HydrophobicContact CE1-CD1 3.49Å; Y118-I122 VanDerWaalsContact CE1-CD1 3.49Å; Y118-I122 WeakPolarHBondContact O-CG1 3.48Å; Y118-I122 PolarHBondContact O-N 2.94Å; Y118-L132 HydrophobicContact CE2-CD1 4.17Å; Y118-L132 WeakPolarHBondContact OH-CD2 3.32Å
119	M	46.3	Very low	47.2	Very low	44 Å²	44	71.9 Å²	71.9	22%	0.217	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-37	173.6	-76	-69.8	-173.1	0	0	112.3	V115 I122 R123 F291	V115-M119 HydrophobicContact CG1-CG 4.49Å; V115-M119 WeakPolarHBondContact O-CB 3.28Å; V115-M119 PolarHBondContact O-N 3.19Å; M119-I122 PolarHBondContact O-N 3.12Å; M119-I122 HydrophobicContact SD-CD1 4.48Å; M119-R123 VanDerWaalsContact O-CB 3.27Å; M119-R123 WeakPolarHBondContact O-CB 3.47Å; M119-R123 WeakPolarHBondContact O-CD 3.33Å; M119-R123 WeakPolarHBondContact O-CG 3.3Å; M119-R123 PolarHBondContact O-N 3.32Å; M119-F291 HydrophobicContact CE-CE2 4.02Å; M119-F291 HydrophobicContact CE-CZ 4.35Å
120	N	47	Very low	48.1	Very low	64 Å²	64	71.8 Å²	71.8	34%	0.342	35%	0.35	S	S	.	.	H	α-helix	trans	-69.2	-36.8	173.5	-169.6	68.9	0	0	0	111.1	N116 Y118 R123 T124	N116-N120 WeakPolarHBondContact O-CA 3.46Å; N116-N120 WeakPolarHBondContact O-CB 3.28Å; N116-N120 PolarHBondContact O-N 3.11Å; Y118-N120 VanDerWaalsContact C-N 3.33Å; Y118-N120 PolarHBondContact O-N 3.21Å; N120-R123 PolarHBondContact O-N 3.42Å; N120-T124 PolarHBondContact ND2-OG1 2.88Å; N120-T124 WeakPolarHBondContact O-CA 3.36Å; N120-T124 VanDerWaalsContact O-CB 3.28Å; N120-T124 WeakPolarHBondContact O-CB 3.4Å; N120-T124 WeakPolarHBondContact O-CG2 3.43Å; N120-T124 PolarHBondContact O-N 3.23Å; N120-T124 PolarHBondContact O-OG1 3.24Å; N120-T124 VanDerWaalsContact OD1-CG2 3.28Å; N120-T124 WeakPolarHBondContact OD1-CG2 3.18Å
121	V	47	Very low	49.1	Very low	38 Å²	38	72.3 Å²	72.3	23%	0.23	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-50.9	168.5	159	0	0	0	0	110.1	K117 Y118 R123 T124 K125 W128	K117-V121 VanDerWaalsContact O-CB 3.27Å; K117-V121 WeakPolarHBondContact O-CB 3.32Å; K117-V121 WeakPolarHBondContact O-CG2 3.43Å; K117-V121 PolarHBondContact O-N 3.43Å; Y118-V121 CarbonylContact O-C 3.59Å; Y118-V121 WeakPolarHBondContact O-CA 3.38Å; Y118-V121 WeakPolarHBondContact O-CB 3.27Å; Y118-V121 PolarHBondContact O-N 3.39Å; Y118-V121 VanDerWaalsContact O-N 3.14Å; V121-R123 VanDerWaalsContact C-N 3.26Å; V121-R123 PolarHBondContact O-N 3.11Å; V121-T124 PolarHBondContact O-N 2.85Å; V121-K125 HydrophobicContact CG1-CB 4.28Å; V121-K125 HydrophobicContact CG1-CD 4.18Å; V121-K125 HydrophobicContact CG1-CG 4.48Å; V121-K125 HydrophobicContact CG2-CD 4.09Å; V121-K125 HydrophobicContact CG2-CG 4.39Å; V121-K125 WeakPolarHBondContact O-CA 3.45Å; V121-K125 VanDerWaalsContact O-CB 3.24Å; V121-K125 WeakPolarHBondContact O-CB 3.48Å; V121-K125 PolarHBondContact O-N 3.38Å; V121-W128 HydrophobicContact CG1-CB 3.74Å
122	I	48.9	Very low	50.1	Low	45 Å²	45	71.3 Å²	71.3	23%	0.231	34%	0.341	C	S	.	.	H	α-helix	trans	-55.9	-39	176.4	-67.3	170	0	0	0	112.5	Y118 M119 W128	Y118-I122 HydrophobicContact CD1-CD1 3.76Å; Y118-I122 HydrophobicContact CE1-CD1 3.49Å; Y118-I122 VanDerWaalsContact CE1-CD1 3.49Å; Y118-I122 WeakPolarHBondContact O-CG1 3.48Å; Y118-I122 PolarHBondContact O-N 2.94Å; M119-I122 PolarHBondContact O-N 3.12Å; M119-I122 HydrophobicContact SD-CD1 4.48Å; I122-W128 HydrophobicContact CB-CD2 4.28Å; I122-W128 HydrophobicContact CB-CG 4.43Å; I122-W128 HydrophobicContact CD1-CE3 4.38Å; I122-W128 HydrophobicContact CD1-CZ3 4.21Å; I122-W128 HydrophobicContact CG1-CD2 3.87Å; I122-W128 HydrophobicContact CG1-CE3 3.65Å; I122-W128 HydrophobicContact CG1-CG 4.31Å; I122-W128 HydrophobicContact CG1-CH2 4.43Å; I122-W128 HydrophobicContact CG1-CZ3 3.94Å; I122-W128 HydrophobicContact CG2-CD2 4.25Å; I122-W128 HydrophobicContact CG2-CH2 4.38Å; I122-W128 HydrophobicContact CG2-CZ2 4.05Å
123	R	44.4	Very low	51.2	Low	165 Å²	165	66.3 Å²	66.3	62%	0.623	32%	0.318	S	S	*	.	H	α-helix	trans	-89	-22.9	-174.8	-68.3	169.7	-177.2	173.4	0.9	115.1	M119 N120 V121 I546	M119-R123 VanDerWaalsContact O-CB 3.27Å; M119-R123 WeakPolarHBondContact O-CB 3.47Å; M119-R123 WeakPolarHBondContact O-CD 3.33Å; M119-R123 WeakPolarHBondContact O-CG 3.3Å; M119-R123 PolarHBondContact O-N 3.32Å; N120-R123 PolarHBondContact O-N 3.42Å; V121-R123 VanDerWaalsContact C-N 3.26Å; V121-R123 PolarHBondContact O-N 3.11Å; R123-I546 HydrophobicContact CG-CD1 4.42Å
124	T	46.9	Very low	52.2	Low	93 Å²	93	64.3 Å²	64.3	57%	0.571	31%	0.314	S	S	*	.	H	α-helix	trans	-118.9	-26.1	-174.7	67.4	0	0	0	0	114.1	N120 V121	N120-T124 PolarHBondContact ND2-OG1 2.88Å; N120-T124 WeakPolarHBondContact O-CA 3.36Å; N120-T124 VanDerWaalsContact O-CB 3.28Å; N120-T124 WeakPolarHBondContact O-CB 3.4Å; N120-T124 WeakPolarHBondContact O-CG2 3.43Å; N120-T124 PolarHBondContact O-N 3.23Å; N120-T124 PolarHBondContact O-OG1 3.24Å; N120-T124 VanDerWaalsContact OD1-CG2 3.28Å; N120-T124 WeakPolarHBondContact OD1-CG2 3.18Å; V121-T124 PolarHBondContact O-N 2.85Å
125	K	51.2	Low	53	Low	95 Å²	95	64.2 Å²	64.2	41%	0.413	31%	0.31	S	S	.	.			trans	-93.5	115.8	174.6	-73.8	-159.3	163.7	-140.5	0	110.2	V121 D127 W128	V121-K125 HydrophobicContact CG1-CB 4.28Å; V121-K125 HydrophobicContact CG1-CD 4.18Å; V121-K125 HydrophobicContact CG1-CG 4.48Å; V121-K125 HydrophobicContact CG2-CD 4.09Å; V121-K125 HydrophobicContact CG2-CG 4.39Å; V121-K125 WeakPolarHBondContact O-CA 3.45Å; V121-K125 VanDerWaalsContact O-CB 3.24Å; V121-K125 WeakPolarHBondContact O-CB 3.48Å; V121-K125 PolarHBondContact O-N 3.38Å; K125-D127 WeakPolarHBondContact CB-OD1 3.47Å; K125-D127 PolarHBondContact O-N 2.92Å; K125-W128 HydrophobicContact CB-CB 4.42Å; K125-W128 WeakPolarHBondContact O-CB 2.98Å; K125-W128 VanDerWaalsContact O-CD1 3.29Å; K125-W128 PolarHBondContact O-N 3.13Å
126	S	54.7	Low	53.6	Low	48 Å²	48	63.3 Å²	63.3	34%	0.336	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23	171.1	55.6	0	0	0	0	112.8	L550 N551 K552	S126-L550 WeakPolarHBondContact CA-O 3.46Å; S126-L550 VanDerWaalsContact CB-O 3.28Å; S126-L550 WeakPolarHBondContact CB-O 3.39Å; S126-N551 CarbonylContact O-C 3.4Å; S126-N551 VanDerWaalsContact O-CA 3.28Å; S126-N551 WeakPolarHBondContact O-CA 3.43Å; S126-N551 PolarHBondContact O-OD1 2.68Å; S126-K552 PolarHBondContact O-N 3.17Å
127	D	58.8	Low	54.3	Low	53 Å²	53	61.4 Å²	61.4	28%	0.283	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	12.4	179.4	66.8	-57.9	0	0	0	114.3	K125 L129 K130 R131	K125-D127 WeakPolarHBondContact CB-OD1 3.47Å; K125-D127 PolarHBondContact O-N 2.92Å; D127-L129 PolarHBondContact O-N 3.3Å; D127-K130 HydrophobicContact CB-CB 4.47Å; D127-K130 WeakPolarHBondContact O-CA 3.25Å; D127-K130 WeakPolarHBondContact O-CB 3.09Å; D127-K130 PolarHBondContact O-N 3.07Å; D127-R131 PolarHBondContact O-N 3.07Å
128	W	60.2	Low	54.7	Low	24 Å²	24	57.8 Å²	57.8	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-42.8	-168.1	70.8	-97.7	0	0	0	114.5	V121 I122 K125 R131 L132 T641	V121-W128 HydrophobicContact CG1-CB 3.74Å; I122-W128 HydrophobicContact CB-CD2 4.28Å; I122-W128 HydrophobicContact CB-CG 4.43Å; I122-W128 HydrophobicContact CD1-CE3 4.38Å; I122-W128 HydrophobicContact CD1-CZ3 4.21Å; I122-W128 HydrophobicContact CG1-CD2 3.87Å; I122-W128 HydrophobicContact CG1-CE3 3.65Å; I122-W128 HydrophobicContact CG1-CG 4.31Å; I122-W128 HydrophobicContact CG1-CH2 4.43Å; I122-W128 HydrophobicContact CG1-CZ3 3.94Å; I122-W128 HydrophobicContact CG2-CD2 4.25Å; I122-W128 HydrophobicContact CG2-CH2 4.38Å; I122-W128 HydrophobicContact CG2-CZ2 4.05Å; K125-W128 HydrophobicContact CB-CB 4.42Å; K125-W128 WeakPolarHBondContact O-CB 2.98Å; K125-W128 VanDerWaalsContact O-CD1 3.29Å; K125-W128 PolarHBondContact O-N 3.13Å; W128-R131 PolarHBondContact O-N 3.4Å; W128-L132 HydrophobicContact CZ3-CD2 4.38Å; W128-L132 PolarHBondContact O-N 3.21Å; W128-T641 HydrophobicContact CH2-CG2 3.36Å; W128-T641 HydrophobicContact CZ2-CG2 4.32Å; W128-T641 HydrophobicContact CZ3-CG2 3.75Å
129	L	60	Low	54.8	Low	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-74.7	-33.7	179.6	-172.8	54.2	0	0	0	111.2	D127 R131 L132 L133 N551 F553 Y558 T641 V645	D127-L129 PolarHBondContact O-N 3.3Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 3.35Å; L129-L132 HydrophobicContact CD1-CB 4.28Å; L129-L132 HydrophobicContact CD1-CD2 3.93Å; L129-L132 PolarHBondContact O-N 2.8Å; L129-L133 HydrophobicContact CD1-CD1 4.34Å; L129-L133 HydrophobicContact CD1-CG 4.09Å; L129-L133 HydrophobicContact CG-CD1 4.01Å; L129-L133 HydrophobicContact CG-CG 4.25Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.06Å; L129-L133 PolarHBondContact O-N 3.48Å; L129-N551 WeakPolarHBondContact CB-ND2 3.44Å; L129-N551 WeakPolarHBondContact CD2-ND2 3.46Å; L129-F553 HydrophobicContact CB-CE2 4.5Å; L129-F553 HydrophobicContact CB-CZ 4.02Å; L129-F553 HydrophobicContact CD2-CE2 4.14Å; L129-F553 HydrophobicContact CD2-CZ 3.87Å; L129-F553 HydrophobicContact CG-CE2 4.45Å; L129-F553 HydrophobicContact CG-CZ 3.79Å; L129-Y558 WeakPolarHBondContact CD2-OH 3.29Å; L129-T641 HydrophobicContact CD1-CG2 3.65Å; L129-T641 HydrophobicContact CD2-CG2 3.86Å; L129-T641 HydrophobicContact CG-CG2 4.35Å; L129-V645 HydrophobicContact CD2-CG2 4.27Å
130	K	62.4	Low	55.2	Low	62 Å²	62	59.1 Å²	59.1	27%	0.27	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-44.5	170.1	-177.2	173	170.5	170.2	0	110.6	D127 Q134 F553 D554	D127-K130 HydrophobicContact CB-CB 4.47Å; D127-K130 WeakPolarHBondContact O-CA 3.25Å; D127-K130 WeakPolarHBondContact O-CB 3.09Å; D127-K130 PolarHBondContact O-N 3.07Å; K130-Q134 VanDerWaalsContact O-CB 3.29Å; K130-Q134 WeakPolarHBondContact O-CB 3.41Å; K130-Q134 PolarHBondContact O-N 2.82Å; K130-F553 HydrophobicContact CB-CD1 3.64Å; K130-F553 HydrophobicContact CB-CE1 3.83Å; K130-F553 HydrophobicContact CD-CD1 4.43Å; K130-F553 HydrophobicContact CG-CD1 4.16Å; K130-D554 IonicContact NZ-OD2 2.67Å; K130-D554 PolarHBondContact NZ-OD2 2.99Å
131	R	60	Low	55.5	Low	84 Å²	84	58.8 Å²	58.8	32%	0.317	28%	0.279	S	S	.	.	H	α-helix	trans	-70	-34.9	176.8	-173.3	62	-165.1	150.2	13.1	112.9	D127 W128 L129 Q134 L135 E138	D127-R131 PolarHBondContact O-N 3.07Å; W128-R131 PolarHBondContact O-N 3.4Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 3.35Å; R131-Q134 PolarHBondContact O-N 3.39Å; R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 3Å; R131-E138 IonicContact CZ-OE1 3.24Å; R131-E138 IonicContact NH1-OE1 2.82Å; R131-E138 PolarHBondContact NH1-OE1 2.98Å; R131-E138 IonicContact NH1-OE2 2.64Å; R131-E138 IonicContact NH2-OE1 3.08Å; R131-E138 PolarHBondContact NH2-OE1 3.45Å; R131-E138 IonicContact NH2-OE2 2.63Å; R131-E138 PolarHBondContact NH2-OE2 3.41Å
132	L	60.7	Low	55.5	Low	7 Å²	7	59.3 Å²	59.3	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-48.4	174.5	-178.1	61	0	0	0	111.7	Y118 W128 L129 Q134 L135 V136 I634 A638	Y118-L132 HydrophobicContact CE2-CD1 4.17Å; Y118-L132 WeakPolarHBondContact OH-CD2 3.32Å; W128-L132 HydrophobicContact CZ3-CD2 4.38Å; W128-L132 PolarHBondContact O-N 3.21Å; L129-L132 HydrophobicContact CD1-CB 4.28Å; L129-L132 HydrophobicContact CD1-CD2 3.93Å; L129-L132 PolarHBondContact O-N 2.8Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.2Å; L132-L135 WeakPolarHBondContact O-CB 3.42Å; L132-L135 PolarHBondContact O-N 3.26Å; L132-V136 PolarHBondContact O-N 2.91Å; L132-V136 VanDerWaalsContact O-N 3.16Å; L132-I634 HydrophobicContact CD1-CG2 4.2Å; L132-A638 HydrophobicContact CD2-CB 3.95Å; L132-A638 HydrophobicContact CG-CB 4.15Å
133	L	62.2	Low	55.3	Low	3 Å²	3	58.8 Å²	58.8	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-35.3	176.5	-64.8	171.6	0	0	0	111.5	L129 L135 V136 K137 F553 I578 V580 L581 V642	L129-L133 HydrophobicContact CD1-CD1 4.34Å; L129-L133 HydrophobicContact CD1-CG 4.09Å; L129-L133 HydrophobicContact CG-CD1 4.01Å; L129-L133 HydrophobicContact CG-CG 4.25Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.06Å; L129-L133 PolarHBondContact O-N 3.48Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 3.4Å; L133-V136 PolarHBondContact O-N 2.72Å; L133-K137 PolarHBondContact O-N 2.9Å; L133-F553 HydrophobicContact CD1-CE1 3.93Å; L133-F553 HydrophobicContact CD1-CZ 3.87Å; L133-I578 HydrophobicContact CD1-CG2 4.12Å; L133-V580 HydrophobicContact CB-CB 3.99Å; L133-V580 HydrophobicContact CB-CG1 3.61Å; L133-V580 HydrophobicContact CD1-CB 4.28Å; L133-L581 HydrophobicContact CB-CD2 3.98Å; L133-L581 HydrophobicContact CB-CG 4.35Å; L133-L581 HydrophobicContact CD2-CD1 3.85Å; L133-L581 HydrophobicContact CD2-CD2 3.96Å; L133-L581 HydrophobicContact CD2-CG 3.9Å; L133-L581 VanDerWaalsContact O-CD2 3.29Å; L133-L581 WeakPolarHBondContact O-CD2 3.4Å; L133-V642 HydrophobicContact CD2-CG2 3.9Å
134	Q	64	Low	55.5	Low	81 Å²	81	54.7 Å²	54.7	38%	0.379	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-39.3	173.1	-167.7	-174	4.8	0	0	112.2	K130 R131 L132 V136 K137 E138	K130-Q134 VanDerWaalsContact O-CB 3.29Å; K130-Q134 WeakPolarHBondContact O-CB 3.41Å; K130-Q134 PolarHBondContact O-N 2.82Å; R131-Q134 PolarHBondContact O-N 3.39Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.2Å; Q134-V136 VanDerWaalsContact C-N 3.34Å; Q134-K137 PolarHBondContact O-N 3.35Å; Q134-E138 HydrophobicContact CG-CG 4.5Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.47Å; Q134-E138 PolarHBondContact NE2-OE1 2.95Å; Q134-E138 WeakPolarHBondContact O-CB 2.98Å; Q134-E138 VanDerWaalsContact O-CG 3.3Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.48Å
135	L	55.5	Low	55.7	Low	83 Å²	83	58.9 Å²	58.9	44%	0.435	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-38.9	174	-72.7	164.9	0	0	0	111.9	R131 L132 L133 E138 E139	R131-L135 WeakPolarHBondContact O-CG 3.49Å; R131-L135 PolarHBondContact O-N 3Å; L132-L135 WeakPolarHBondContact O-CB 3.42Å; L132-L135 PolarHBondContact O-N 3.26Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 3.4Å; L135-E138 PolarHBondContact O-N 3.33Å; L135-E139 WeakPolarHBondContact O-CB 3.24Å; L135-E139 PolarHBondContact O-N 3.13Å
136	V	56.1	Low	55.4	Low	39 Å²	39	62 Å²	62	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-37.4	174	176.7	0	0	0	0	111.4	L132 L133 Q134 E139 R140 L581 A638	L132-V136 PolarHBondContact O-N 2.91Å; L132-V136 VanDerWaalsContact O-N 3.16Å; L133-V136 PolarHBondContact O-N 2.72Å; Q134-V136 VanDerWaalsContact C-N 3.34Å; V136-E139 PolarHBondContact O-N 3.32Å; V136-R140 WeakPolarHBondContact O-CB 3.27Å; V136-R140 PolarHBondContact O-N 2.89Å; V136-L581 HydrophobicContact CB-CD2 3.85Å; V136-L581 HydrophobicContact CG1-CD2 3.78Å; V136-A638 HydrophobicContact CG2-CB 4.49Å
137	K	59.3	Low	54.9	Low	46 Å²	46	64.8 Å²	64.8	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-46.2	172.8	-168.6	-175.6	-179.1	-174.6	0	112.3	L133 Q134 E139 R140 D141 E582	L133-K137 PolarHBondContact O-N 2.9Å; Q134-K137 PolarHBondContact O-N 3.35Å; K137-E139 PolarHBondContact O-N 2.79Å; K137-R140 PolarHBondContact O-N 2.83Å; K137-D141 WeakPolarHBondContact O-CB 3.49Å; K137-D141 PolarHBondContact O-N 3.28Å; K137-E582 VanDerWaalsContact CE-OE2 3.32Å; K137-E582 WeakPolarHBondContact CE-OE2 3.19Å; K137-E582 IonicContact NZ-OE1 2.67Å; K137-E582 PolarHBondContact NZ-OE1 1.97Å; K137-E582 IonicContact NZ-OE2 2.7Å; K137-E582 PolarHBondContact NZ-OE2 2.49Å
138	E	56.5	Low	54.1	Low	75 Å²	75	63.4 Å²	63.4	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-53.6	-36.8	175.6	-76	167.2	-158.3	0	0	110.8	R131 Q134 L135 I142	R131-E138 IonicContact CZ-OE1 3.24Å; R131-E138 IonicContact NH1-OE1 2.82Å; R131-E138 PolarHBondContact NH1-OE1 2.98Å; R131-E138 IonicContact NH1-OE2 2.64Å; R131-E138 IonicContact NH2-OE1 3.08Å; R131-E138 PolarHBondContact NH2-OE1 3.45Å; R131-E138 IonicContact NH2-OE2 2.63Å; R131-E138 PolarHBondContact NH2-OE2 3.41Å; Q134-E138 HydrophobicContact CG-CG 4.5Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.47Å; Q134-E138 PolarHBondContact NE2-OE1 2.95Å; Q134-E138 WeakPolarHBondContact O-CB 2.98Å; Q134-E138 VanDerWaalsContact O-CG 3.3Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.48Å; L135-E138 PolarHBondContact O-N 3.33Å; E138-I142 WeakPolarHBondContact O-CD1 3.12Å; E138-I142 VanDerWaalsContact O-CG1 3.28Å; E138-I142 WeakPolarHBondContact O-CG1 3.28Å; E138-I142 PolarHBondContact O-N 2.78Å
139	E	49.9	Very low	53.2	Low	25 Å²	25	70.4 Å²	70.4	12%	0.117	32%	0.324	C	S	.	.	H	α-helix	trans	-75	-45.5	176.6	-160.2	-82.2	176.1	0	0	113.1	L135 V136 K137 D141 I142 R143	L135-E139 WeakPolarHBondContact O-CB 3.24Å; L135-E139 PolarHBondContact O-N 3.13Å; V136-E139 PolarHBondContact O-N 3.32Å; K137-E139 PolarHBondContact O-N 2.79Å; E139-D141 VanDerWaalsContact C-N 3.33Å; E139-D141 PolarHBondContact O-N 3.04Å; E139-I142 WeakPolarHBondContact O-CA 3.39Å; E139-I142 WeakPolarHBondContact O-CB 3.44Å; E139-I142 PolarHBondContact O-N 3.49Å; E139-R143 VanDerWaalsContact CD-NH2 3.26Å; E139-R143 PolarHBondContact O-N 3.44Å; E139-R143 IonicContact OE1-CZ 3.21Å; E139-R143 VanDerWaalsContact OE1-CZ 3.24Å; E139-R143 IonicContact OE1-NE 3.35Å; E139-R143 PolarHBondContact OE1-NE 3.19Å; E139-R143 IonicContact OE1-NH2 2.68Å; E139-R143 PolarHBondContact OE1-NH2 3.22Å; E139-R143 IonicContact OE2-CZ 2.76Å; E139-R143 VanDerWaalsContact OE2-CZ 3.28Å; E139-R143 IonicContact OE2-NE 3.41Å; E139-R143 PolarHBondContact OE2-NE 3.49Å; E139-R143 IonicContact OE2-NH2 3.93Å; E139-R143 PolarHBondContact OE2-NH2 2.97Å; E139-R143 VanDerWaalsContact OE2-NH2 3.08Å
140	R	53.1	Low	52.3	Low	112 Å²	112	74.5 Å²	74.5	42%	0.423	35%	0.349	S	S	.	.	H	α-helix	trans	-58.6	-42.6	174.3	-175.6	-174.6	-179.5	-152.9	0.2	112.3	V136 K137 I142 R143 S144 L581 E582 T583	V136-R140 WeakPolarHBondContact O-CB 3.27Å; V136-R140 PolarHBondContact O-N 2.89Å; K137-R140 PolarHBondContact O-N 2.83Å; R140-I142 PolarHBondContact O-N 2.7Å; R140-R143 PolarHBondContact O-N 2.97Å; R140-S144 PolarHBondContact O-N 3.14Å; R140-S144 VanDerWaalsContact O-N 3.11Å; R140-S144 PolarHBondContact O-OG 2.85Å; R140-L581 PolarHBondContact NH1-O 2.85Å; R140-E582 PolarHBondContact NH1-O 3.14Å; R140-T583 VanDerWaalsContact NH1-CG2 3.26Å
141	D	54.3	Low	51.4	Low	56 Å²	56	74.6 Å²	74.6	30%	0.299	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-18.3	175.6	-82.8	0.7	0	0	0	112.8	K137 E139 S144 R145	K137-D141 WeakPolarHBondContact O-CB 3.49Å; K137-D141 PolarHBondContact O-N 3.28Å; E139-D141 VanDerWaalsContact C-N 3.33Å; E139-D141 PolarHBondContact O-N 3.04Å; D141-S144 PolarHBondContact O-OG 2.85Å; D141-R145 WeakPolarHBondContact O-CD 3.32Å; D141-R145 WeakPolarHBondContact O-CG 3.43Å; D141-R145 PolarHBondContact O-NE 3.22Å
142	I	47.6	Very low	50.4	Low	49 Å²	49	73.3 Å²	73.3	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-84.8	-45.4	171.1	-76.9	167.6	0	0	0	110.1	E138 E139 R140 S144 R145 Y146 L159	E138-I142 WeakPolarHBondContact O-CD1 3.12Å; E138-I142 VanDerWaalsContact O-CG1 3.28Å; E138-I142 WeakPolarHBondContact O-CG1 3.28Å; E138-I142 PolarHBondContact O-N 2.78Å; E139-I142 WeakPolarHBondContact O-CA 3.39Å; E139-I142 WeakPolarHBondContact O-CB 3.44Å; E139-I142 PolarHBondContact O-N 3.49Å; R140-I142 PolarHBondContact O-N 2.7Å; I142-S144 VanDerWaalsContact C-N 3.28Å; I142-S144 PolarHBondContact O-N 2.84Å; I142-R145 PolarHBondContact O-N 3.35Å; I142-R145 VanDerWaalsContact O-N 3.17Å; I142-Y146 HydrophobicContact CG2-CD2 4Å; I142-Y146 HydrophobicContact CG2-CE2 3.97Å; I142-Y146 WeakPolarHBondContact O-CD2 3.39Å; I142-Y146 PolarHBondContact O-N 2.88Å; I142-L159 HydrophobicContact CG2-CD1 3.71Å
143	R	43.9	Very low	49.2	Very low	34 Å²	34	74.4 Å²	74.4	13%	0.128	37%	0.368	C	S	.	.	H	α-helix	trans	-54.9	-42.4	176.4	-65.8	-167.9	-167.5	172.4	16.4	112	E139 R140 Y146 I154	E139-R143 VanDerWaalsContact CD-NH2 3.26Å; E139-R143 PolarHBondContact O-N 3.44Å; E139-R143 IonicContact OE1-CZ 3.21Å; E139-R143 VanDerWaalsContact OE1-CZ 3.24Å; E139-R143 IonicContact OE1-NE 3.35Å; E139-R143 PolarHBondContact OE1-NE 3.19Å; E139-R143 IonicContact OE1-NH2 2.68Å; E139-R143 PolarHBondContact OE1-NH2 3.22Å; E139-R143 IonicContact OE2-CZ 2.76Å; E139-R143 VanDerWaalsContact OE2-CZ 3.28Å; E139-R143 IonicContact OE2-NE 3.41Å; E139-R143 PolarHBondContact OE2-NE 3.49Å; E139-R143 IonicContact OE2-NH2 3.93Å; E139-R143 PolarHBondContact OE2-NH2 2.97Å; E139-R143 VanDerWaalsContact OE2-NH2 3.08Å; R140-R143 PolarHBondContact O-N 2.97Å; R143-Y146 PolarHBondContact O-N 2.81Å; R143-I154 WeakPolarHBondContact CD-O 3.23Å; R143-I154 PolarHBondContact NH1-O 2.79Å
144	S	48	Very low	48.1	Very low	80 Å²	80	76.8 Å²	76.8	56%	0.559	38%	0.38	S	S	*	.	H	α-helix	trans	-67.4	-33.6	180	62.2	0	0	0	0	114	R140 D141 I142 Y146	R140-S144 PolarHBondContact O-N 3.14Å; R140-S144 VanDerWaalsContact O-N 3.11Å; R140-S144 PolarHBondContact O-OG 2.85Å; D141-S144 PolarHBondContact O-OG 2.85Å; I142-S144 VanDerWaalsContact C-N 3.28Å; I142-S144 PolarHBondContact O-N 2.84Å; S144-Y146 VanDerWaalsContact C-N 3.33Å; S144-Y146 PolarHBondContact O-N 2.71Å
145	R	50.6	Low	46.9	Very low	181 Å²	181	78.9 Å²	78.9	68%	0.683	39%	0.385	S	S	*	.	H	α-helix	trans	-72.7	-21.6	-179.8	-74	178.4	-129.9	-157	-1.7	114.2	D141 I142 N147	D141-R145 WeakPolarHBondContact O-CD 3.32Å; D141-R145 WeakPolarHBondContact O-CG 3.43Å; D141-R145 PolarHBondContact O-NE 3.22Å; I142-R145 PolarHBondContact O-N 3.35Å; I142-R145 VanDerWaalsContact O-N 3.17Å; R145-N147 VanDerWaalsContact C-N 3.34Å; R145-N147 PolarHBondContact O-N 3.39Å
146	Y	46.2	Very low	45.7	Very low	160 Å²	160	82.8 Å²	82.8	63%	0.627	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	24.4	-177.2	-75.1	-67.7	0	0	0	114.1	I142 R143 S144 C148 L159	I142-Y146 HydrophobicContact CG2-CD2 4Å; I142-Y146 HydrophobicContact CG2-CE2 3.97Å; I142-Y146 WeakPolarHBondContact O-CD2 3.39Å; I142-Y146 PolarHBondContact O-N 2.88Å; R143-Y146 PolarHBondContact O-N 2.81Å; S144-Y146 VanDerWaalsContact C-N 3.33Å; S144-Y146 PolarHBondContact O-N 2.71Å; Y146-C148 PolarHBondContact O-N 3.35Å; Y146-L159 HydrophobicContact CD2-CD1 4.43Å
147	N	43.2	Very low	44.3	Very low	107 Å²	107	84 Å²	84	57%	0.572	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	43.9	168.6	-81.9	-3.9	0	0	0	115.2	R145 F149	R145-N147 VanDerWaalsContact C-N 3.34Å; R145-N147 PolarHBondContact O-N 3.39Å; N147-F149 HydrophobicContact CB-CD2 4.3Å; N147-F149 HydrophobicContact CB-CE2 3.66Å; N147-F149 HydrophobicContact CB-CZ 3.86Å; N147-F149 VanDerWaalsContact O-CD2 3.29Å; N147-F149 WeakPolarHBondContact O-CD2 3.48Å; N147-F149 PolarHBondContact O-N 3.23Å
148	C	42.6	Very low	42.8	Very low	23 Å²	23	84.2 Å²	84.2	16%	0.155	41%	0.405	C	S	.	.			trans	-67	93.7	158.6	-84.1	0	0	0	0	110.1	Y146 T150 C153 I154	Y146-C148 PolarHBondContact O-N 3.35Å; C148-T150 PolarHBondContact O-N 3.28Å; C148-C153 WeakPolarHBondContact CA-SG 3.41Å; C148-C153 HydrophobicContact CB-CB 3.53Å; C148-C153 WeakPolarHBondContact CB-SG 3.33Å; C148-C153 WeakPolarHBondContact SG-CB 3.24Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 3.23Å; C148-I154 HydrophobicContact CB-CG1 4.07Å
149	F	40.9	Very low	41.6	Very low	171 Å²	171	82.7 Å²	82.7	75%	0.75	40%	0.399	S	S	*	.			trans	-79.2	6.6	176.4	-64.3	-69.6	0	0	0	114.6	N147	N147-F149 HydrophobicContact CB-CD2 4.3Å; N147-F149 HydrophobicContact CB-CE2 3.66Å; N147-F149 HydrophobicContact CB-CZ 3.86Å; N147-F149 VanDerWaalsContact O-CD2 3.29Å; N147-F149 WeakPolarHBondContact O-CD2 3.48Å; N147-F149 PolarHBondContact O-N 3.23Å
150	T	41.8	Very low	40.5	Very low	87 Å²	87	83.8 Å²	83.8	53%	0.534	40%	0.404	S	S	.	.	S	Bend	trans	-141.6	142.6	176.9	52.7	0	0	0	0	109.6	C148 A152 C153	C148-T150 PolarHBondContact O-N 3.28Å; T150-A152 VanDerWaalsContact C-N 3.28Å; T150-A152 PolarHBondContact O-N 3.35Å; T150-C153 WeakPolarHBondContact O-CA 3.17Å; T150-C153 WeakPolarHBondContact O-CB 3.39Å; T150-C153 PolarHBondContact O-N 3Å
151	D	42.1	Very low	39.4	Very low	64 Å²	64	81 Å²	81	34%	0.342	40%	0.4	S	S	.	.	H	α-helix	trans	-72.6	-25.4	-172	-59.9	-90.1	0	0	0	112.5	C153 I154 Y155 L241	D151-C153 PolarHBondContact O-N 2.79Å; D151-I154 WeakPolarHBondContact O-CB 3.44Å; D151-I154 PolarHBondContact O-N 2.75Å; D151-Y155 WeakPolarHBondContact O-CD2 3.3Å; D151-Y155 PolarHBondContact O-N 2.71Å; D151-L241 HydrophobicContact CB-CD1 3.96Å; D151-L241 HydrophobicContact CB-CD2 4.34Å; D151-L241 WeakPolarHBondContact OD1-CD2 3.44Å; D151-L241 WeakPolarHBondContact OD2-CD1 3.32Å
152	A	39.1	Very low	38.2	Very low	57 Å²	57	84 Å²	84	47%	0.471	42%	0.42	S	S	.	.	H	α-helix	trans	-59.4	-23.8	165.8	0	0	0	0	0	113.5	T150 K156	T150-A152 VanDerWaalsContact C-N 3.28Å; T150-A152 PolarHBondContact O-N 3.35Å; A152-K156 WeakPolarHBondContact O-CB 3.43Å; A152-K156 VanDerWaalsContact O-CG 3.27Å; A152-K156 WeakPolarHBondContact O-CG 3.41Å; A152-K156 PolarHBondContact O-N 2.74Å
153	C	37.3	Very low	37.2	Very low	30 Å²	30	89.4 Å²	89.4	20%	0.203	44%	0.444	C	S	.	.	H	α-helix	trans	-75.2	-38	173.1	179.7	0	0	0	0	111.4	C148 T150 D151 Y155 K156 I157	C148-C153 WeakPolarHBondContact CA-SG 3.41Å; C148-C153 HydrophobicContact CB-CB 3.53Å; C148-C153 WeakPolarHBondContact CB-SG 3.33Å; C148-C153 WeakPolarHBondContact SG-CB 3.24Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 3.23Å; T150-C153 WeakPolarHBondContact O-CA 3.17Å; T150-C153 WeakPolarHBondContact O-CB 3.39Å; T150-C153 PolarHBondContact O-N 3Å; D151-C153 PolarHBondContact O-N 2.79Å; C153-Y155 PolarHBondContact O-N 3.18Å; C153-K156 PolarHBondContact O-N 3.04Å; C153-I157 PolarHBondContact O-N 2.97Å; C153-I157 VanDerWaalsContact SG-CD1 3.54Å
154	I	37.8	Very low	36.5	Very low	53 Å²	53	92.2 Å²	92.2	27%	0.272	46%	0.461	S	S	.	.	H	α-helix	trans	-59.4	-30.7	175.1	-58.6	176.8	0	0	0	111	R143 C148 D151	R143-I154 WeakPolarHBondContact CD-O 3.23Å; R143-I154 PolarHBondContact NH1-O 2.79Å; C148-I154 HydrophobicContact CB-CG1 4.07Å; D151-I154 WeakPolarHBondContact O-CB 3.44Å; D151-I154 PolarHBondContact O-N 2.75Å
155	Y	38.5	Very low	35.6	Very low	124 Å²	124	94.1 Å²	94.1	49%	0.486	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-4.5	176.7	-56.1	-56.2	0	0	0	115.3	D151 C153 M599	D151-Y155 WeakPolarHBondContact O-CD2 3.3Å; D151-Y155 PolarHBondContact O-N 2.71Å; C153-Y155 PolarHBondContact O-N 3.18Å; Y155-M599 HydrophobicContact CD1-CE 4.2Å; Y155-M599 HydrophobicContact CE1-CE 3.44Å; Y155-M599 VanDerWaalsContact CE1-CE 3.44Å; Y155-M599 HydrophobicContact CE1-SD 4.21Å
156	K	30.6	Very low	34.7	Very low	165 Å²	165	89.3 Å²	89.3	72%	0.717	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-21.9	176.7	-80.5	178.6	176.2	177.4	0	114.5	A152 C153	A152-K156 WeakPolarHBondContact O-CB 3.43Å; A152-K156 VanDerWaalsContact O-CG 3.27Å; A152-K156 WeakPolarHBondContact O-CG 3.41Å; A152-K156 PolarHBondContact O-N 2.74Å; C153-K156 PolarHBondContact O-N 3.04Å
157	I	26.9	Very low	34.2	Very low	66 Å²	66	87.6 Å²	87.6	34%	0.338	46%	0.456	S	S	.	.			trans	-87.4	117.6	-177.9	-67.1	-164.7	0	0	0	111.8	C153 L159	C153-I157 PolarHBondContact O-N 2.97Å; C153-I157 VanDerWaalsContact SG-CD1 3.54Å; I157-L159 HydrophobicContact CG2-CD1 3.75Å; I157-L159 HydrophobicContact CG2-CG 3.77Å
158	Q	28	Very low	33.7	Very low	49 Å²	49	88.6 Å²	88.6	23%	0.229	46%	0.461	C	S	.	.			trans	-94.9	119.9	177.3	-61.7	147	4.8	0	0	109.6	Q624 Y628	Q158-Q624 VanDerWaalsContact OE1-C 3.25Å; Q158-Q624 PolarHBondContact OE1-O 3.21Å; Q158-Q624 VanDerWaalsContact OE1-O 3.07Å; Q158-Y628 HydrophobicContact CG-CD2 3.64Å; Q158-Y628 HydrophobicContact CG-CG 3.95Å; Q158-Y628 VanDerWaalsContact NE2-CG 3.26Å
159	L	31	Very low	33.4	Very low	43 Å²	43	94.4 Å²	94.4	23%	0.225	49%	0.489	C	S	.	.			trans	-132	77	-178.4	-78.2	172.2	0	0	0	113.1	I142 Y146 I157 T161 H631	I142-L159 HydrophobicContact CG2-CD1 3.71Å; Y146-L159 HydrophobicContact CD2-CD1 4.43Å; I157-L159 HydrophobicContact CG2-CD1 3.75Å; I157-L159 HydrophobicContact CG2-CG 3.77Å; L159-T161 HydrophobicContact CB-CG2 4.45Å; L159-T161 HydrophobicContact CD2-CG2 4.24Å; L159-T161 PolarHBondContact O-N 3.26Å; L159-H631 WeakPolarHBondContact CA-NE2 3.24Å; L159-H631 PolarHBondContact N-NE2 2.91Å; L159-H631 VanDerWaalsContact N-NE2 3.14Å; L159-H631 PolarHBondContact O-CE1 3.31Å; L159-H631 PolarHBondContact O-NE2 3.43Å
160	F	28	Very low	33	Very low	49 Å²	49	96.5 Å²	96.5	22%	0.215	49%	0.492	C	S	.	.			trans	-81.6	104.9	161.2	-99.8	-52.7	0	0	0	108.2	T162 A627 L630 H631 I634	F160-T162 HydrophobicContact CD1-CG2 4.02Å; F160-A627 HydrophobicContact CB-CB 4.26Å; F160-A627 HydrophobicContact CD2-CB 3.93Å; F160-A627 VanDerWaalsContact CD2-O 3.26Å; F160-A627 WeakPolarHBondContact CD2-O 3.02Å; F160-A627 VanDerWaalsContact CE2-O 3.25Å; F160-A627 WeakPolarHBondContact CE2-O 3.01Å; F160-L630 HydrophobicContact CD2-CD2 4.48Å; F160-L630 HydrophobicContact CE2-CB 3.65Å; F160-L630 HydrophobicContact CE2-CD2 3.74Å; F160-L630 HydrophobicContact CE2-CG 3.66Å; F160-L630 HydrophobicContact CZ-CB 4.25Å; F160-L630 HydrophobicContact CZ-CD2 3.87Å; F160-L630 HydrophobicContact CZ-CG 3.77Å; F160-H631 WeakPolarHBondContact CA-NE2 3.32Å; F160-H631 WeakPolarHBondContact CB-NE2 3.18Å; F160-H631 AromaticContact CD1-CE1 3.46Å; F160-H631 VanDerWaalsContact CD1-CE1 3.46Å; F160-H631 WeakPolarHBondContact CD1-CE1 3.07Å; F160-H631 AromaticContact CD1-NE2 3.71Å; F160-H631 AromaticContact CD2-CD2 3.3Å; F160-H631 WeakPolarHBondContact CD2-CD2 3.35Å; F160-H631 AromaticContact CD2-CG 3.76Å; F160-H631 AromaticContact CD2-NE2 3.5Å; F160-H631 AromaticContact CE1-CE1 3.6Å; F160-H631 AromaticContact CE1-ND1 3.8Å; F160-H631 HydrophobicContact CE2-CB 4.07Å; F160-H631 AromaticContact CE2-CD2 3.52Å; F160-H631 AromaticContact CE2-CG 3.46Å; F160-H631 VanDerWaalsContact CE2-CG 3.46Å; F160-H631 AromaticContact CE2-ND1 3.68Å; F160-H631 AromaticContact CG-CD2 3.77Å; F160-H631 AromaticContact CG-CE1 3.86Å; F160-H631 AromaticContact CG-NE2 3.14Å; F160-H631 WeakPolarHBondContact CG-NE2 3.33Å; F160-H631 HydrophobicContact CZ-CB 4.5Å; F160-H631 AromaticContact CZ-CG 3.81Å; F160-H631 AromaticContact CZ-ND1 3.53Å; F160-H631 PolarHBondContact N-NE2 3.02Å; F160-I634 HydrophobicContact CE1-CD1 4.21Å; F160-I634 HydrophobicContact CZ-CD1 3.85Å
161	T	29.7	Very low	32.4	Very low	54 Å²	54	99.5 Å²	99.5	33%	0.331	51%	0.505	S	S	.	.			trans	-110.9	35.4	176.9	61.8	0	0	0	0	111.6	L159 Q163 L164	L159-T161 HydrophobicContact CB-CG2 4.45Å; L159-T161 HydrophobicContact CD2-CG2 4.24Å; L159-T161 PolarHBondContact O-N 3.26Å; T161-Q163 PolarHBondContact O-N 2.67Å; T161-L164 HydrophobicContact CG2-CD1 3.86Å; T161-L164 PolarHBondContact O-N 2.7Å
162	T	27.5	Very low	31.8	Very low	119 Å²	119	101.6 Å²	101.6	73%	0.73	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	27.5	170.9	45.2	0	0	0	0	113.7	F160	F160-T162 HydrophobicContact CD1-CG2 4.02Å
163	Q	28.5	Very low	31.3	Very low	162 Å²	162	105.5 Å²	105.5	76%	0.757	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.3	15.3	167.1	-119.6	-178.8	81.4	0	0	113.7	T161 K165	T161-Q163 PolarHBondContact O-N 2.67Å; Q163-K165 WeakPolarHBondContact O-CD 3.35Å; Q163-K165 VanDerWaalsContact O-CG 3.22Å; Q163-K165 WeakPolarHBondContact O-CG 3.36Å; Q163-K165 PolarHBondContact O-N 2.91Å
164	L	29.1	Very low	30.8	Very low	92 Å²	92	112.3 Å²	112.3	48%	0.482	57%	0.566	S	S	.	*			trans	-79.5	54.9	175.4	-101.3	174.9	0	0	0	113.9	T161 L168	T161-L164 HydrophobicContact CG2-CD1 3.86Å; T161-L164 PolarHBondContact O-N 2.7Å; L164-L168 HydrophobicContact CD2-CB 4.38Å; L164-L168 HydrophobicContact CD2-CD1 3.31Å; L164-L168 HydrophobicContact CD2-CG 4.45Å
165	K	28.6	Very low	30.3	Very low	120 Å²	120	117.8 Å²	117.8	52%	0.522	60%	0.596	S	S	.	*			trans	33.1	114.3	130.1	-84.2	159.1	162.4	178.5	0	117.2	Q163 H167 L168	Q163-K165 WeakPolarHBondContact O-CD 3.35Å; Q163-K165 VanDerWaalsContact O-CG 3.22Å; Q163-K165 WeakPolarHBondContact O-CG 3.36Å; Q163-K165 PolarHBondContact O-N 2.91Å; K165-H167 WeakPolarHBondContact CB-NE2 3.06Å; K165-H167 VanDerWaalsContact CD-NE2 3.34Å; K165-H167 WeakPolarHBondContact CD-NE2 3.47Å; K165-H167 VanDerWaalsContact CG-CE1 3.45Å; K165-H167 WeakPolarHBondContact CG-CE1 3.26Å; K165-H167 WeakPolarHBondContact CG-NE2 3.42Å; K165-H167 PolarHBondContact O-N 3.28Å; K165-L168 PolarHBondContact O-N 3.36Å; K165-L168 VanDerWaalsContact O-N 3.11Å
166	A	31.5	Very low	29.8	Very low	81 Å²	81	119.5 Å²	119.5	67%	0.669	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	5.4	177.3	0	0	0	0	0	117
167	H	34.9	Very low	29.6	Very low	124 Å²	124	116.9 Å²	116.9	57%	0.574	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-24.9	170.5	19.9	-76.9	0	0	0	113.6	K165 R170	K165-H167 WeakPolarHBondContact CB-NE2 3.06Å; K165-H167 VanDerWaalsContact CD-NE2 3.34Å; K165-H167 WeakPolarHBondContact CD-NE2 3.47Å; K165-H167 VanDerWaalsContact CG-CE1 3.45Å; K165-H167 WeakPolarHBondContact CG-CE1 3.26Å; K165-H167 WeakPolarHBondContact CG-NE2 3.42Å; K165-H167 PolarHBondContact O-N 3.28Å; H167-R170 PolarHBondContact O-N 2.94Å
168	L	33	Very low	29.7	Very low	128 Å²	128	121.7 Å²	121.7	67%	0.67	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-11.6	178.9	-90.3	159.6	0	0	0	114.2	L164 K165	L164-L168 HydrophobicContact CD2-CB 4.38Å; L164-L168 HydrophobicContact CD2-CD1 3.31Å; L164-L168 HydrophobicContact CD2-CG 4.45Å; K165-L168 PolarHBondContact O-N 3.36Å; K165-L168 VanDerWaalsContact O-N 3.11Å
169	L	36.9	Very low	30	Very low	145 Å²	145	126.5 Å²	126.5	76%	0.759	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-0.9	168.5	-75.1	168.1	0	0	0	114
170	R	32.8	Very low	29.8	Very low	214 Å²	214	133.7 Å²	133.7	81%	0.808	69%	0.687	S	S	*	*	S	Bend	trans	-83.6	-16.8	-176	-85.6	-174.2	165.8	178.7	-4.5	115.5	H167	H167-R170 PolarHBondContact O-N 2.94Å
171	N	28.2	Very low	30	Very low	151 Å²	151	140 Å²	140	81%	0.807	71%	0.714	S	S	*	*	S	Bend	trans	-119.8	33.4	-168.6	-75.3	4.3	0	0	0	114.8
172	T	29.7	Very low	30.1	Very low	107 Å²	107	144 Å²	144	66%	0.656	73%	0.733	S	S	*	*	S	Bend	trans	-133.1	97.5	168.4	53.6	0	0	0	0	112.9
173	V	28.5	Very low	30.3	Very low	140 Å²	140	143.2 Å²	143.2	85%	0.848	73%	0.731	S	S	*	*			trans	65.5	120.2	158.6	-170.1	0	0	0	0	117.5	L175	V173-L175 PolarHBondContact O-N 2.88Å
174	H	27.4	Very low	30.3	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.796	73%	0.732	S	S	*	*			trans	-50.6	122.7	165.2	-91	-106.4	0	0	0	112.6
175	L	26.6	Very low	30.4	Very low	169 Å²	169	148 Å²	148	89%	0.885	75%	0.746	S	S	*	*			trans	-126.1	116.1	146	-76.4	170.1	0	0	0	106.6	V173	V173-L175 PolarHBondContact O-N 2.88Å
176	E	28.8	Very low	30.5	Very low	160 Å²	160	149.3 Å²	149.3	75%	0.748	76%	0.757	S	S	*	*			trans	-68.2	147	-174.4	-74.2	-175.6	107.4	0	0	112.2	I178	E176-I178 PolarHBondContact O-N 3.45Å; E176-I178 VanDerWaalsContact O-N 3.08Å
177	P	26.8	Very low	30.5	Very low	109 Å²	109	151.9 Å²	151.9	71%	0.708	76%	0.76	S	S	*	*			trans	-69.9	106	170.6	29.9	-32.9	0	0	0	109.2	Q179	P177-Q179 VanDerWaalsContact C-N 3.27Å; P177-Q179 PolarHBondContact O-N 3.25Å
178	I	29.1	Very low	30.2	Very low	167 Å²	167	151.8 Å²	151.8	86%	0.856	76%	0.763	S	S	*	*			trans	-68.1	89.3	172.2	-57.5	-179.5	0	0	0	108.5	E176	E176-I178 PolarHBondContact O-N 3.45Å; E176-I178 VanDerWaalsContact O-N 3.08Å
179	Q	32.5	Very low	30.1	Very low	150 Å²	150	153.6 Å²	153.6	70%	0.701	77%	0.768	S	S	*	*			trans	-65.3	132.7	170.1	-67.7	-172.6	-5.5	0	0	109.6	P177 K181	P177-Q179 VanDerWaalsContact C-N 3.27Å; P177-Q179 PolarHBondContact O-N 3.25Å; Q179-K181 PolarHBondContact O-N 2.87Å; Q179-K181 VanDerWaalsContact O-N 3.12Å
180	H	27.9	Very low	29.7	Very low	194 Å²	194	154.8 Å²	154.8	90%	0.898	77%	0.774	S	S	*	*			trans	-61.6	112.6	171.7	-69.3	-86.9	0	0	0	110.9
181	K	31.4	Very low	29.6	Very low	182 Å²	182	153.8 Å²	153.8	79%	0.791	78%	0.776	S	S	*	*			trans	-141.7	122.7	162.1	-98.7	176.4	-178.5	167.9	0	111.4	Q179	Q179-K181 PolarHBondContact O-N 2.87Å; Q179-K181 VanDerWaalsContact O-N 3.12Å
182	D	32.4	Very low	29.5	Very low	137 Å²	137	158.5 Å²	158.5	73%	0.733	78%	0.782	S	S	*	*			trans	49.8	126.4	170.6	-95.3	-67.9	0	0	0	120.9	R184	D182-R184 PolarHBondContact O-N 3.36Å
183	P	32.3	Very low	29.5	Very low	104 Å²	104	162.7 Å²	162.7	68%	0.675	80%	0.796	S	S	*	*	S	Bend	trans	-89	101.8	170.4	33.8	-30.2	0	0	0	111.6
184	R	28.2	Very low	29.5	Very low	207 Å²	207	166.2 Å²	166.2	78%	0.781	80%	0.8	S	S	*	*			trans	176.3	145.2	153.1	-100.3	153.1	-66.7	-176.7	6.1	110.2	D182	D182-R184 PolarHBondContact O-N 3.36Å
185	N	31.4	Very low	29.6	Very low	146 Å²	146	169.9 Å²	169.9	78%	0.781	81%	0.807	S	S	*	*			trans	66.8	149.9	176.9	-64.2	-14.6	0	0	0	115.4
186	I	29.9	Very low	29.7	Very low	148 Å²	148	166.6 Å²	166.6	76%	0.759	80%	0.799	S	S	*	*			cis	-149.7	163.2	-13.3	-118.6	164.5	0	0	0	109.7
187	D	31.1	Very low	29.9	Very low	135 Å²	135	166.3 Å²	166.3	72%	0.722	80%	0.801	S	S	*	*			trans	-72.4	178.6	175.7	-173	18.5	0	0	0	113
188	L	29	Very low	30.1	Very low	122 Å²	122	165.8 Å²	165.8	64%	0.639	80%	0.799	S	S	*	*			trans	73.8	137	175.1	-47.9	118	0	0	0	114.4
189	H	30.7	Very low	30.3	Very low	166 Å²	166	166.3 Å²	166.3	77%	0.769	80%	0.798	S	S	*	*			cis	-146.8	110.7	33.2	-102.3	-72.5	0	0	0	114.6
190	L	29	Very low	30.4	Very low	171 Å²	171	164.5 Å²	164.5	90%	0.895	80%	0.799	S	S	*	*			trans	-91.2	99	159.9	-176.5	76.5	0	0	0	110.1
191	K	29.7	Very low	30.5	Very low	193 Å²	193	160.9 Å²	160.9	84%	0.839	80%	0.796	S	S	*	*			trans	-178.3	99.7	162.9	-104.6	151.5	-173.8	170.9	0	114.1
192	R	28.1	Very low	30.4	Very low	250 Å²	250	156.2 Å²	156.2	94%	0.943	79%	0.791	S	S	*	*			trans	-168.2	88.5	140.4	-116.3	176.8	-173.1	163.1	4.5	114.1
193	M	29.1	Very low	30.3	Very low	194 Å²	194	158.8 Å²	158.8	96%	0.956	80%	0.796	S	S	*	*				-172.8	108	120.7	-99.6	-168.5	-171.8	0	0	109.9
194	K	28.4	Very low	30.1	Very low	215 Å²	215	158.2 Å²	158.2	94%	0.935	79%	0.794	S	S	*	*			trans	-144.9	104.9	162.9	-112.9	-169.8	179.1	-174.3	0	110
195	R	29.2	Very low	30.1	Very low	248 Å²	248	157.5 Å²	157.5	94%	0.936	80%	0.797	S	S	*	*			trans	-143.5	137.2	156.3	-86.7	-178.2	169.5	169.1	-4.8	104.3
196	S	28.6	Very low	29.9	Very low	101 Å²	101	155.1 Å²	155.1	71%	0.706	79%	0.792	S	S	*	*			cis	-158.6	-172.8	6.7	36.6	0	0	0	0	110.3
197	I	33.2	Very low	29.7	Very low	154 Å²	154	155.5 Å²	155.5	79%	0.79	79%	0.794	S	S	*	*			trans	88	86.4	168.7	-50.3	170.1	0	0	0	115.2
198	S	31.8	Very low	29.4	Very low	97 Å²	97	153.9 Å²	153.9	68%	0.678	79%	0.794	S	S	*	*				6.7	154.5	124.5	-45.4	0	0	0	0	120.5
199	E	32.9	Very low	29.2	Very low	179 Å²	179	155.4 Å²	155.4	84%	0.836	80%	0.799	S	S	*	*			cis	-160.1	168.8	-11	-112.6	-179.9	146.3	0	0	109.4
200	P	34.9	Very low	29.1	Very low	111 Å²	111	153.9 Å²	153.9	72%	0.721	80%	0.797	S	S	*	*			trans	-111.1	-167.5	-163	43.3	-37.8	0	0	0	116.1
201	S	29.8	Very low	29	Very low	119 Å²	119	152.3 Å²	152.3	83%	0.832	79%	0.79	S	S	*	*			trans	92.1	144.1	167.6	81.9	0	0	0	0	116.8
202	A	29.2	Very low	28.8	Very low	83 Å²	83	147.9 Å²	147.9	69%	0.686	78%	0.783	S	S	*	*			cis	-167.2	-171.1	-15.8	0	0	0	0	0	111.3
203	F	29.6	Very low	28.8	Very low	192 Å²	192	141.6 Å²	141.6	84%	0.842	77%	0.772	S	S	*	*			trans	75.8	74.1	163.1	-78	-85.9	0	0	0	120.7
204	S	28.1	Very low	28.8	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	76%	0.763	S	S	*	*				32.9	143.2	113.3	73.3	0	0	0	0	123.2
205	K	27.6	Very low	28.9	Very low	193 Å²	193	136.2 Å²	136.2	84%	0.839	75%	0.751	S	S	*	*			trans	109	128.3	140.9	-83.1	-176.3	174.3	178.5	0	120.5
206	S	28.3	Very low	28.8	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	73%	0.734	S	S	*	*			trans	78	110.2	135.5	61.5	0	0	0	0	122.8
207	L	25.8	Very low	29	Very low	156 Å²	156	132.6 Å²	132.6	82%	0.817	74%	0.741	S	S	*	*				62.1	113.1	127.7	-82.4	78.5	0	0	0	121.1
208	S	24.1	Very low	28.9	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	74%	0.736	S	S	*	*				88.9	152.1	118.3	78.9	0	0	0	0	121.4
209	M	26.1	Very low	28.8	Very low	154 Å²	154	135 Å²	135	76%	0.759	74%	0.74	S	S	*	*			trans	70.8	95.3	160	-62.7	-63.1	163.2	0	0	119.7
210	N	28	Very low	28.7	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	74%	0.739	S	S	*	*				65.9	154.7	120.5	-61.8	16.9	0	0	0	123.1
211	D	26.3	Very low	28.5	Very low	139 Å²	139	133.4 Å²	133.4	74%	0.743	74%	0.736	S	S	*	*			trans	66.5	92.2	150.2	-68.6	-41	0	0	0	121.7
212	S	25.5	Very low	28.7	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	74%	0.737	S	S	*	*				97.8	138.7	104.1	78.4	0	0	0	0	122.1
213	T	28	Very low	28.8	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.724	74%	0.742	S	S	*	*			trans	78.8	148.3	145.9	-0.5	0	0	0	0	122.5
214	I	29.9	Very low	28.6	Very low	148 Å²	148	138.5 Å²	138.5	76%	0.759	74%	0.739	S	S	*	*			trans	76.3	135.4	155.2	-71.7	165.4	0	0	0	117.9
215	E	29.3	Very low	28.6	Very low	148 Å²	148	140.1 Å²	140.1	69%	0.692	74%	0.741	S	S	*	*			cis	-177.8	162.9	-28.3	-130.5	-171.9	148.9	0	0	110.3
216	I	28.3	Very low	28.5	Very low	113 Å²	113	137.8 Å²	137.8	58%	0.579	74%	0.736	S	S	*	*			trans	65.4	132.6	153.7	-63.1	160	0	0	0	115.9
217	L	32.7	Very low	28.4	Very low	160 Å²	160	139.7 Å²	139.7	84%	0.838	74%	0.739	S	S	*	*			cis	-130.8	145.9	37.3	-59.8	152.6	0	0	0	110.6
218	K	30.3	Very low	28.3	Very low	160 Å²	160	141.2 Å²	141.2	70%	0.696	74%	0.739	S	S	*	*			cis	104.7	122.2	28.7	-99.6	-163.3	170.5	-180	0	115.6
219	N	30.9	Very low	28.5	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	75%	0.747	S	S	*	*			trans	71.7	116.2	159	-49.6	-0.7	0	0	0	116.2
220	N	29.6	Very low	28.6	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	75%	0.746	S	S	*	*				-149.1	147.3	61.2	-164.2	56.6	0	0	0	113.4
221	P	32.1	Very low	28.7	Very low	102 Å²	102	146.1 Å²	146.1	66%	0.662	75%	0.754	S	S	*	*			trans	-115.9	147	177.9	38.9	-28.4	0	0	0	114.6
222	E	32.3	Very low	28.8	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	75%	0.754	S	S	*	*			trans	-168.4	146.1	147.6	-117.6	163.7	-166.5	0	0	109.9
223	I	31.6	Very low	29.1	Very low	155 Å²	155	150.5 Å²	150.5	80%	0.795	76%	0.763	S	S	*	*			trans	52.7	96.6	168.5	-47.4	161.8	0	0	0	114.4
224	Q	26.5	Very low	29.1	Very low	165 Å²	165	151.9 Å²	151.9	77%	0.771	77%	0.766	S	S	*	*			cis	66.9	119.9	19.4	-140.4	178.3	0.2	0	0	116.3
225	D	27.1	Very low	29.3	Very low	126 Å²	126	151.9 Å²	151.9	67%	0.674	77%	0.768	S	S	*	*			trans	84.4	114.7	154.9	-75.1	4.1	0	0	0	122.8
226	L	26.7	Very low	29.3	Very low	143 Å²	143	151.5 Å²	151.5	75%	0.749	78%	0.776	S	S	*	*			trans	85.8	108	136.9	-58.2	164.3	0	0	0	121.7
227	L	25.5	Very low	29.5	Very low	136 Å²	136	154.3 Å²	154.3	71%	0.712	79%	0.786	S	S	*	*			trans	63.2	134.2	136.1	-84.2	73.8	0	0	0	121.6
228	F	24.7	Very low	29.4	Very low	188 Å²	188	151.6 Å²	151.6	83%	0.825	77%	0.773	S	S	*	*			trans	26.1	115.1	149	-63.9	-91.8	0	0	0	119.1
229	L	27.8	Very low	29.4	Very low	167 Å²	167	150.6 Å²	150.6	87%	0.874	78%	0.775	S	S	*	*				-162	170.2	111.2	-105	160.7	0	0	0	110.9
230	H	27.1	Very low	29.3	Very low	158 Å²	158	145.9 Å²	145.9	73%	0.731	76%	0.755	S	S	*	*			trans	-78.6	159.4	173.1	-67.5	-111.9	0	0	0	110.6
231	D	30.9	Very low	29.5	Very low	167 Å²	167	142.1 Å²	142.1	89%	0.893	74%	0.735	S	S	*	*			trans	-150.2	149	132.3	-98.2	-34.4	0	0	0	108.1
232	D	28	Very low	29.3	Very low	138 Å²	138	147.3 Å²	147.3	74%	0.738	74%	0.741	S	S	*	*			trans	-91.7	149.4	-166.7	-57.3	-64	0	0	0	113
233	H	31.1	Very low	29.3	Very low	191 Å²	191	145.2 Å²	145.2	88%	0.884	74%	0.735	S	S	*	*			trans	-149.8	123.5	154.9	-113.3	-63	0	0	0	110.5	D235	H233-D235 PolarHBondContact O-N 3.48Å
234	D	29.7	Very low	29.3	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	72%	0.722	S	S	*	*			trans	-65.5	123.8	168	-69.4	-69	0	0	0	110.5
235	D	32.6	Very low	29.5	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	72%	0.723	S	S	*	*			trans	-156.3	98.7	150.5	-100.8	-38.5	0	0	0	108.8	H233 E237	H233-D235 PolarHBondContact O-N 3.48Å; D235-E237 VanDerWaalsContact C-N 3.35Å; D235-E237 PolarHBondContact O-N 3.44Å; D235-E237 VanDerWaalsContact O-N 3.1Å
236	T	30	Very low	29.7	Very low	140 Å²	140	140.5 Å²	140.5	86%	0.859	72%	0.718	S	S	*	*			trans	-84.9	72.5	-179.3	57.3	0	0	0	0	111.1	D238	T236-D238 PolarHBondContact O-N 3.33Å
237	E	32.5	Very low	29.9	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	72%	0.722	S	S	*	*			trans	-73.5	119.8	173.8	-63.5	-154.7	127.5	0	0	111.2	D235 D239	D235-E237 VanDerWaalsContact C-N 3.35Å; D235-E237 PolarHBondContact O-N 3.44Å; D235-E237 VanDerWaalsContact O-N 3.1Å; E237-D239 PolarHBondContact O-N 3.22Å
238	D	31.3	Very low	30	Very low	103 Å²	103	141.3 Å²	141.3	55%	0.551	73%	0.728	S	S	*	*			trans	-79.2	63.7	-177.6	-168.4	7	0	0	0	111.4	T236 A240	T236-D238 PolarHBondContact O-N 3.33Å; D238-A240 PolarHBondContact O-N 2.93Å
239	D	29.4	Very low	30.1	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	72%	0.72	S	S	*	*			trans	-70.5	10.7	-168.9	-154.6	18.4	0	0	0	114.2	E237 L241	E237-D239 PolarHBondContact O-N 3.22Å; D239-L241 PolarHBondContact O-N 3.27Å
240	A	30.1	Very low	30.1	Very low	42 Å²	42	140.2 Å²	140.2	35%	0.347	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	7.2	-173.6	0	0	0	0	0	114.7	D238 R596	D238-A240 PolarHBondContact O-N 2.93Å; A240-R596 PolarHBondContact O-NH1 2.67Å; A240-R596 VanDerWaalsContact O-NH1 3.13Å; A240-R596 PolarHBondContact O-NH2 2.75Å
241	L	32.1	Very low	30	Very low	76 Å²	76	139.9 Å²	139.9	40%	0.398	73%	0.727	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.9	-2	-166.6	-77.3	158.8	0	0	0	115.1	D151 D239 L243	D151-L241 HydrophobicContact CB-CD1 3.96Å; D151-L241 HydrophobicContact CB-CD2 4.34Å; D151-L241 WeakPolarHBondContact OD1-CD2 3.44Å; D151-L241 WeakPolarHBondContact OD2-CD1 3.32Å; D239-L241 PolarHBondContact O-N 3.27Å; L241-L243 PolarHBondContact O-N 3.35Å
242	R	27.7	Very low	29.7	Very low	211 Å²	211	138.9 Å²	138.9	80%	0.796	72%	0.721	S	S	*	*			trans	-77.1	93.8	179.1	-162	169.6	-175.3	166.3	1	112.1
243	L	33.5	Very low	29.7	Very low	137 Å²	137	140.4 Å²	140.4	72%	0.717	73%	0.727	S	S	*	*			trans	-54.8	139.5	171	-72.4	170	0	0	0	111.3	L241 D245	L241-L243 PolarHBondContact O-N 3.35Å; L243-D245 PolarHBondContact O-N 2.99Å
244	P	30.4	Very low	29.5	Very low	81 Å²	81	140.6 Å²	140.6	53%	0.526	72%	0.72	S	S	.	*			trans	-70.5	124	172.6	-17.7	31.4	0	0	0	112	E246	P244-E246 PolarHBondContact O-N 3.44Å
245	D	31.3	Very low	29.4	Very low	148 Å²	148	142.3 Å²	142.3	79%	0.791	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-66.4	10.1	176	-74.6	-53.6	0	0	0	114.7	L243	L243-D245 PolarHBondContact O-N 2.99Å
246	E	31	Very low	29.1	Very low	118 Å²	118	144 Å²	144	55%	0.551	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-92.9	-4.8	-161.9	-64.2	-122.5	96.8	0	0	115.3	P244 N248 K249	P244-E246 PolarHBondContact O-N 3.44Å; E246-N248 PolarHBondContact O-N 3.05Å; E246-K249 PolarHBondContact O-N 2.99Å; E246-K249 IonicContact OE1-NZ 2.66Å; E246-K249 PolarHBondContact OE1-NZ 2.95Å
247	V	30.3	Very low	29.1	Very low	139 Å²	139	146.1 Å²	146.1	84%	0.842	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-62.8	-9.8	-179.6	-167.1	0	0	0	0	112.8	K249	V247-K249 PolarHBondContact O-N 3.42Å
248	N	28.9	Very low	29	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-81.5	6.1	175.4	-77.5	-59	0	0	0	115.9	E246	E246-N248 PolarHBondContact O-N 3.05Å
249	K	27.4	Very low	28.9	Very low	152 Å²	152	144.5 Å²	144.5	66%	0.661	72%	0.716	S	S	*	*			trans	-111.1	-19.8	-171.5	-79.3	178	-177.8	165.1	0	118.1	E246 V247 N251	E246-K249 PolarHBondContact O-N 2.99Å; E246-K249 IonicContact OE1-NZ 2.66Å; E246-K249 PolarHBondContact OE1-NZ 2.95Å; V247-K249 PolarHBondContact O-N 3.42Å; K249-N251 PolarHBondContact O-N 3.45Å; K249-N251 VanDerWaalsContact O-N 3.09Å
250	L	26.5	Very low	29	Very low	180 Å²	180	144.6 Å²	144.6	94%	0.942	72%	0.716	S	S	*	*			trans	-90.2	73	-171.8	-78.2	170.6	0	0	0	113.9
251	N	25.6	Very low	28.9	Very low	152 Å²	152	149.6 Å²	149.6	81%	0.813	74%	0.737	S	S	*	*			trans	-80.1	116.9	166.2	-108.9	-51	0	0	0	111.7	K249	K249-N251 PolarHBondContact O-N 3.45Å; K249-N251 VanDerWaalsContact O-N 3.09Å
252	L	25	Very low	28.8	Very low	146 Å²	146	152.4 Å²	152.4	76%	0.764	75%	0.752	S	S	*	*			trans	59.3	85.7	134.2	-163.8	83.9	0	0	0	118.7
253	I	28.4	Very low	28.8	Very low	169 Å²	169	146.9 Å²	146.9	87%	0.867	75%	0.746	S	S	*	*			trans	-127.5	125.3	141.6	-59.6	-177.5	0	0	0	108.6
254	R	24.9	Very low	28.4	Very low	196 Å²	196	146.3 Å²	146.3	74%	0.74	75%	0.748	S	S	*	*			trans	-121.9	131	177.4	172.5	-162.5	-77.8	174	-5.6	108.2
255	H	29.5	Very low	28.3	Very low	183 Å²	183	149.1 Å²	149.1	85%	0.847	76%	0.764	S	S	*	*			trans	-132.1	144.3	156.9	-103	-90	0	0	0	110.3
256	R	25.4	Very low	27.9	Very low	185 Å²	185	149 Å²	149	70%	0.698	76%	0.763	S	S	*	*			trans	-108.2	153.2	173.4	-74.7	178.6	169.6	162.1	-10.4	109
257	Q	30.5	Very low	27.6	Very low	184 Å²	184	155.8 Å²	155.8	86%	0.86	78%	0.784	S	S	*	*				-171.3	158.4	126.4	-102.6	168.1	-54	0	0	109.5
258	D	29.4	Very low	27.2	Very low	104 Å²	104	154.4 Å²	154.4	56%	0.556	78%	0.776	S	S	*	*				-162.2	179.9	-61.5	-90.3	-28.2	0	0	0	106.3
259	D	29.8	Very low	26.9	Very low	137 Å²	137	153.1 Å²	153.1	73%	0.733	77%	0.769	S	S	*	*			trans	73.3	111.6	158.3	-50	-24	0	0	0	122.6
260	D	30.4	Very low	26.8	Very low	139 Å²	139	152 Å²	152	74%	0.743	77%	0.77	S	S	*	*				87.1	109.9	120.3	-57.9	-5.9	0	0	0	126
261	D	29.5	Very low	26.7	Very low	147 Å²	147	148.9 Å²	148.9	79%	0.786	76%	0.755	S	S	*	*				91.1	142.9	120.5	-85.8	-14.5	0	0	0	128.2
262	D	28.7	Very low	26.7	Very low	135 Å²	135	148.1 Å²	148.1	72%	0.722	75%	0.75	S	S	*	*			trans	73	94.9	145.2	-91.3	-13.3	0	0	0	126.2
263	S	27.6	Very low	26.7	Very low	95 Å²	95	146 Å²	146	66%	0.664	75%	0.748	S	S	*	*				97.1	123.9	106.5	82.5	0	0	0	0	123.2
264	V	27.1	Very low	26.6	Very low	126 Å²	126	146 Å²	146	76%	0.764	74%	0.742	S	S	*	*			trans	43.1	116.3	134.1	-169	0	0	0	0	120.9
265	T	27.7	Very low	26.7	Very low	140 Å²	140	144.3 Å²	144.3	86%	0.859	74%	0.742	S	S	*	*				-169	145.6	112.8	16.1	0	0	0	0	113.5
266	N	22.2	Very low	26.5	Very low	144 Å²	144	144.7 Å²	144.7	77%	0.77	74%	0.741	S	S	*	*			trans	-88.6	157.7	171.3	-66.2	-44.8	0	0	0	111
267	W	24.2	Very low	26.4	Very low	261 Å²	261	141.8 Å²	141.8	99%	0.989	75%	0.749	S	S	*	*			trans	-154.6	161.8	135.1	-96.7	1.3	0	0	0	110.8
268	T	22.7	Very low	26.2	Very low	111 Å²	111	140 Å²	140	68%	0.681	74%	0.744	S	S	*	*			trans	-141	171.3	-155.3	52.8	0	0	0	0	113.9
269	N	23.5	Very low	26	Very low	130 Å²	130	144 Å²	144	70%	0.695	76%	0.756	S	S	*	*			trans	80.6	112.8	151.3	-72.8	8.9	0	0	0	120.7
270	N	24.2	Very low	25.8	Very low	127 Å²	127	144.3 Å²	144.3	68%	0.679	75%	0.752	S	S	*	*				112.2	121.3	108.2	-79.3	18.8	0	0	0	122.3
271	N	24.9	Very low	25.7	Very low	116 Å²	116	144.1 Å²	144.1	62%	0.62	75%	0.751	S	S	*	*				98.1	125.1	127.5	-77.1	44.5	0	0	0	122.5
272	D	24.8	Very low	25.9	Very low	135 Å²	135	142.2 Å²	142.2	72%	0.722	74%	0.74	S	S	*	*			trans	55.4	126.5	135.2	-50.9	-34.3	0	0	0	119.7
273	S	26	Very low	26.2	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	72%	0.722	S	S	*	*				-177.3	154	53.6	61	0	0	0	0	116.3
274	K	25.8	Very low	26.3	Very low	169 Å²	169	136.8 Å²	136.8	74%	0.735	71%	0.707	S	S	*	*			trans	59.1	110.5	133.8	-74.6	176.7	177.2	174.9	0	123
275	H	26.1	Very low	26.5	Very low	160 Å²	160	135.6 Å²	135.6	74%	0.741	69%	0.691	S	S	*	*				108.7	133.1	114.2	-75.9	-37.7	0	0	0	122.2
276	K	26.9	Very low	26.8	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	66%	0.663	S	S	*	*			trans	70.4	95.9	153.6	-71.8	-173.3	174.6	-175.3	0	118.8
277	S	23.3	Very low	27.5	Very low	124 Å²	124	128.6 Å²	128.6	87%	0.867	65%	0.648	S	S	*	*			trans	-72.2	159.6	155.2	47.7	0	0	0	0	112.5
278	I	24.9	Very low	28.1	Very low	146 Å²	146	117.2 Å²	117.2	75%	0.749	61%	0.607	S	S	*	*			trans	-122.5	136.1	173.6	-64.8	175.7	0	0	0	107.6	F280	I278-F280 HydrophobicContact CG2-CD2 4.18Å; I278-F280 HydrophobicContact CG2-CE2 3.88Å
279	K	26.4	Very low	28.5	Very low	187 Å²	187	112.4 Å²	112.4	81%	0.813	58%	0.578	S	S	*	*			trans	-84.5	134.4	174.9	-75.8	-173.8	168.9	-164.1	0	111.1
280	F	25.5	Very low	29.1	Very low	145 Å²	145	112.2 Å²	112.2	64%	0.636	57%	0.568	S	S	*	*			trans	-159.3	143	145.8	-67.4	-73.6	0	0	0	104.8	I278 L531	I278-F280 HydrophobicContact CG2-CD2 4.18Å; I278-F280 HydrophobicContact CG2-CE2 3.88Å; F280-L531 HydrophobicContact CD1-CD2 4.07Å; F280-L531 HydrophobicContact CD2-CD2 4.37Å; F280-L531 HydrophobicContact CE1-CD2 3.82Å; F280-L531 HydrophobicContact CE2-CD2 4.14Å; F280-L531 HydrophobicContact CG-CD2 4.35Å; F280-L531 HydrophobicContact CZ-CD2 3.87Å
281	D	27.9	Very low	29.7	Very low	135 Å²	135	109.3 Å²	109.3	72%	0.722	55%	0.549	S	S	*	.			cis	173.6	147.1	-19.3	-99.1	-10.3	0	0	0	102.2
282	N	33.9	Very low	30.1	Very low	106 Å²	106	104.7 Å²	104.7	57%	0.567	53%	0.526	S	S	*	.			trans	75.8	77.2	-176.6	-152.9	17.6	0	0	0	115.6
283	P	34.8	Very low	30.8	Very low	52 Å²	52	104.5 Å²	104.5	34%	0.338	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.8	-170.3	33.7	-34.4	0	0	0	114.9	E108 K285	E108-P283 HydrophobicContact CG-CB 3.79Å; E108-P283 WeakPolarHBondContact CG-O 3.43Å; E108-P283 WeakPolarHBondContact OE2-CB 3.31Å; P283-K285 PolarHBondContact O-N 2.93Å
284	D	30.7	Very low	31.5	Very low	65 Å²	65	105 Å²	105	35%	0.348	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	9.6	-175.8	-49	6.9	0	0	0	112.7	Y104	Y104-D284 HydrophobicContact CD1-CB 3.87Å; Y104-D284 WeakPolarHBondContact CD1-OD1 3.47Å; Y104-D284 HydrophobicContact CE1-CB 3.69Å; Y104-D284 HydrophobicContact CG-CB 4.5Å; Y104-D284 VanDerWaalsContact CG-OD1 3.26Å
285	K	31	Very low	32.3	Very low	100 Å²	100	99.8 Å²	99.8	44%	0.435	49%	0.492	S	S	.	.			trans	-139.5	111.3	-168.9	-59.1	-160.1	157.5	-93.9	0	111.9	P283 D287 S616	P283-K285 PolarHBondContact O-N 2.93Å; K285-D287 PolarHBondContact O-N 3.04Å; K285-D287 VanDerWaalsContact O-N 3.11Å; K285-S616 PolarHBondContact NZ-OG 3.26Å
286	I	34.6	Very low	32.8	Very low	54 Å²	54	94.3 Å²	94.3	28%	0.277	47%	0.47	S	S	.	.			trans	-67.6	108.3	163.1	-53.3	-177.4	0	0	0	108.1	V111 V288 I617	V111-I286 HydrophobicContact CG1-CD1 3.96Å; V111-I286 HydrophobicContact CG1-CG1 4.22Å; V111-I286 HydrophobicContact CG2-CD1 3.75Å; V111-I286 HydrophobicContact CG2-CG1 4.25Å; I286-V288 VanDerWaalsContact C-N 3.31Å; I286-V288 HydrophobicContact CG2-CG2 4Å; I286-V288 PolarHBondContact O-N 3.29Å; I286-I617 HydrophobicContact CD1-CB 4.24Å
287	D	35.4	Very low	33.4	Very low	84 Å²	84	87 Å²	87	45%	0.449	45%	0.449	S	S	.	.			trans	-76.9	82.7	173.9	-172.1	-7.8	0	0	0	110.8	K285 A289 R290 F291	K285-D287 PolarHBondContact O-N 3.04Å; K285-D287 VanDerWaalsContact O-N 3.11Å; D287-A289 PolarHBondContact O-N 3.29Å; D287-A289 WeakPolarHBondContact OD1-CB 3.38Å; D287-A289 PolarHBondContact OD1-N 3.35Å; D287-A289 VanDerWaalsContact OD1-N 3.13Å; D287-R290 HydrophobicContact CB-CB 4.09Å; D287-R290 VanDerWaalsContact CG-CB 3.41Å; D287-R290 PolarHBondContact O-N 3.41Å; D287-R290 PolarHBondContact OD1-N 2.82Å; D287-R290 WeakPolarHBondContact OD2-CB 3.47Å; D287-F291 PolarHBondContact O-N 3.23Å
288	V	36.7	Very low	34.3	Very low	22 Å²	22	85.1 Å²	85.1	13%	0.133	43%	0.429	C	S	.	.	H	α-helix	trans	-64.2	-28.4	175.5	-176.5	0	0	0	0	111.4	I286 F291 S292 F612	I286-V288 VanDerWaalsContact C-N 3.31Å; I286-V288 HydrophobicContact CG2-CG2 4Å; I286-V288 PolarHBondContact O-N 3.29Å; V288-F291 PolarHBondContact O-N 3.37Å; V288-S292 PolarHBondContact O-N 2.84Å; V288-S292 PolarHBondContact O-OG 3.32Å; V288-F612 HydrophobicContact CG1-CB 4.26Å
289	A	32.1	Very low	35	Very low	9 Å²	9	80.1 Å²	80.1	7%	0.074	41%	0.405	C	S	.	.	H	α-helix	trans	-70	-35.9	179.1	0	0	0	0	0	111.7	D287 S292 Q293 E614	D287-A289 PolarHBondContact O-N 3.29Å; D287-A289 WeakPolarHBondContact OD1-CB 3.38Å; D287-A289 PolarHBondContact OD1-N 3.35Å; D287-A289 VanDerWaalsContact OD1-N 3.13Å; A289-S292 PolarHBondContact O-OG 3.12Å; A289-Q293 VanDerWaalsContact O-CB 3.27Å; A289-Q293 WeakPolarHBondContact O-CB 3.42Å; A289-Q293 WeakPolarHBondContact O-CG 3.4Å; A289-Q293 PolarHBondContact O-N 2.63Å; A289-E614 HydrophobicContact CB-CG 3.92Å
290	R	36.5	Very low	35.2	Very low	126 Å²	126	76.4 Å²	76.4	48%	0.475	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-43.9	169.9	-177.8	177.4	-168	154.2	6.4	112.2	D287 S292 Q293 E294	D287-R290 HydrophobicContact CB-CB 4.09Å; D287-R290 VanDerWaalsContact CG-CB 3.41Å; D287-R290 PolarHBondContact O-N 3.41Å; D287-R290 PolarHBondContact OD1-N 2.82Å; D287-R290 WeakPolarHBondContact OD2-CB 3.47Å; R290-S292 VanDerWaalsContact C-N 3.35Å; R290-S292 PolarHBondContact O-N 3.49Å; R290-Q293 PolarHBondContact O-N 3.38Å; R290-E294 HydrophobicContact CG-CG 4.39Å; R290-E294 WeakPolarHBondContact CG-OE1 3.16Å; R290-E294 IonicContact CZ-OE1 3.92Å; R290-E294 IonicContact NE-OE1 2.98Å; R290-E294 PolarHBondContact NE-OE1 3.27Å; R290-E294 IonicContact NH2-OE1 3.95Å; R290-E294 WeakPolarHBondContact O-CB 3.24Å; R290-E294 WeakPolarHBondContact O-CG 3.32Å; R290-E294 PolarHBondContact O-N 2.64Å
291	F	37	Very low	35.7	Very low	66 Å²	66	72.8 Å²	72.8	29%	0.289	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-42.4	177.3	-175.9	-100.7	0	0	0	111.9	V115 M119 D287 V288 L295	V115-F291 HydrophobicContact CG1-CE2 4.22Å; M119-F291 HydrophobicContact CE-CE2 4.02Å; M119-F291 HydrophobicContact CE-CZ 4.35Å; D287-F291 PolarHBondContact O-N 3.23Å; V288-F291 PolarHBondContact O-N 3.37Å; F291-L295 WeakPolarHBondContact O-CB 3.42Å; F291-L295 PolarHBondContact O-N 3.36Å; F291-L295 VanDerWaalsContact O-N 3.13Å
292	S	32.8	Very low	36.2	Very low	19 Å²	19	71.4 Å²	71.4	13%	0.133	37%	0.374	C	S	.	.	H	α-helix	trans	-73.6	-33.3	176.7	65.3	0	0	0	0	113.4	V288 A289 R290 T296	V288-S292 PolarHBondContact O-N 2.84Å; V288-S292 PolarHBondContact O-OG 3.32Å; A289-S292 PolarHBondContact O-OG 3.12Å; R290-S292 VanDerWaalsContact C-N 3.35Å; R290-S292 PolarHBondContact O-N 3.49Å; S292-T296 WeakPolarHBondContact O-CB 3.27Å; S292-T296 WeakPolarHBondContact O-CG2 3.12Å; S292-T296 PolarHBondContact O-N 3.35Å; S292-T296 PolarHBondContact O-OG1 3.14Å
293	Q	38	Very low	36.3	Very low	131 Å²	131	72.5 Å²	72.5	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-67.6	-43.8	173.4	-77.8	175.5	42.9	0	0	112.7	A289 R290 L295 T296 G297	A289-Q293 VanDerWaalsContact O-CB 3.27Å; A289-Q293 WeakPolarHBondContact O-CB 3.42Å; A289-Q293 WeakPolarHBondContact O-CG 3.4Å; A289-Q293 PolarHBondContact O-N 2.63Å; R290-Q293 PolarHBondContact O-N 3.38Å; Q293-L295 VanDerWaalsContact C-N 3.32Å; Q293-L295 PolarHBondContact O-N 3.41Å; Q293-T296 PolarHBondContact O-N 3.06Å; Q293-T296 PolarHBondContact O-OG1 2.79Å; Q293-G297 PolarHBondContact O-N 2.82Å
294	E	41.7	Very low	36.3	Very low	113 Å²	113	76.2 Å²	76.2	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-39	175.8	-71.1	176.9	-166.9	0	0	110.5	R290	R290-E294 HydrophobicContact CG-CG 4.39Å; R290-E294 WeakPolarHBondContact CG-OE1 3.16Å; R290-E294 IonicContact CZ-OE1 3.92Å; R290-E294 IonicContact NE-OE1 2.98Å; R290-E294 PolarHBondContact NE-OE1 3.27Å; R290-E294 IonicContact NH2-OE1 3.95Å; R290-E294 WeakPolarHBondContact O-CB 3.24Å; R290-E294 WeakPolarHBondContact O-CG 3.32Å; R290-E294 PolarHBondContact O-N 2.64Å
295	L	41.5	Very low	36.5	Very low	59 Å²	59	81.9 Å²	81.9	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-69	-33.9	176.1	-147.1	83.7	0	0	0	114	F291 Q293 V299	F291-L295 WeakPolarHBondContact O-CB 3.42Å; F291-L295 PolarHBondContact O-N 3.36Å; F291-L295 VanDerWaalsContact O-N 3.13Å; Q293-L295 VanDerWaalsContact C-N 3.32Å; Q293-L295 PolarHBondContact O-N 3.41Å; L295-V299 WeakPolarHBondContact O-CG2 3.28Å
296	T	38.3	Very low	36.6	Very low	45 Å²	45	81.7 Å²	81.7	28%	0.276	42%	0.424	S	S	.	.	H	α-helix	trans	-89	-31.4	-176.9	50.7	0	0	0	0	113.7	S292 Q293 V299 L300	S292-T296 WeakPolarHBondContact O-CB 3.27Å; S292-T296 WeakPolarHBondContact O-CG2 3.12Å; S292-T296 PolarHBondContact O-N 3.35Å; S292-T296 PolarHBondContact O-OG1 3.14Å; Q293-T296 PolarHBondContact O-N 3.06Å; Q293-T296 PolarHBondContact O-OG1 2.79Å; T296-V299 PolarHBondContact O-N 3.37Å; T296-L300 WeakPolarHBondContact O-CB 3.07Å; T296-L300 PolarHBondContact O-N 3.33Å
297	G	39.2	Very low	36.5	Very low	38 Å²	38	87.6 Å²	87.6	39%	0.392	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-40.4	177.2	0	0	0	0	0	113.4	Q293 V299 S301	Q293-G297 PolarHBondContact O-N 2.82Å; G297-V299 PolarHBondContact O-N 2.81Å; G297-S301 WeakPolarHBondContact O-CB 3.43Å; G297-S301 PolarHBondContact O-N 2.7Å; G297-S301 PolarHBondContact O-OG 3.48Å
298	D	40.8	Very low	36	Very low	85 Å²	85	89.7 Å²	89.7	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-69	-12.6	178.1	-94.8	12.8	0	0	0	114.3	K302	D298-K302 WeakPolarHBondContact O-CD 3.24Å; D298-K302 VanDerWaalsContact O-CE 3.31Å; D298-K302 WeakPolarHBondContact O-CE 3.2Å; D298-K302 PolarHBondContact O-NZ 3.28Å
299	V	40.1	Very low	35.5	Very low	41 Å²	41	95.6 Å²	95.6	25%	0.248	50%	0.502	C	S	.	.	H	α-helix	trans	-105.3	-48.9	-178.8	178.7	0	0	0	0	110.7	L295 T296 G297 S301 K302 H303	L295-V299 WeakPolarHBondContact O-CG2 3.28Å; T296-V299 PolarHBondContact O-N 3.37Å; G297-V299 PolarHBondContact O-N 2.81Å; V299-S301 VanDerWaalsContact C-N 3.29Å; V299-S301 PolarHBondContact O-N 3.26Å; V299-K302 PolarHBondContact O-N 3.23Å; V299-K302 VanDerWaalsContact O-N 3.07Å; V299-H303 PolarHBondContact O-N 3.07Å
300	L	31.6	Very low	35.2	Very low	110 Å²	110	100 Å²	100	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-61.8	-35.5	178.2	-74.6	166.9	0	0	0	112.5	T296 K302 H303 I304	T296-L300 WeakPolarHBondContact O-CB 3.07Å; T296-L300 PolarHBondContact O-N 3.33Å; L300-K302 PolarHBondContact O-N 3.08Å; L300-H303 PolarHBondContact O-N 2.88Å; L300-I304 WeakPolarHBondContact O-CG1 3.4Å; L300-I304 PolarHBondContact O-N 3.03Å
301	S	35.7	Very low	34.6	Very low	69 Å²	69	99 Å²	99	48%	0.483	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-19.8	176.3	58.9	0	0	0	0	114.3	G297 V299	G297-S301 WeakPolarHBondContact O-CB 3.43Å; G297-S301 PolarHBondContact O-N 2.7Å; G297-S301 PolarHBondContact O-OG 3.48Å; V299-S301 VanDerWaalsContact C-N 3.29Å; V299-S301 PolarHBondContact O-N 3.26Å
302	K	37.8	Very low	34	Very low	106 Å²	106	100.9 Å²	100.9	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-90.9	-38.9	177.2	-66.7	174.7	-174.4	135.1	0	112.6	D298 V299 L300 S306	D298-K302 WeakPolarHBondContact O-CD 3.24Å; D298-K302 VanDerWaalsContact O-CE 3.31Å; D298-K302 WeakPolarHBondContact O-CE 3.2Å; D298-K302 PolarHBondContact O-NZ 3.28Å; V299-K302 PolarHBondContact O-N 3.23Å; V299-K302 VanDerWaalsContact O-N 3.07Å; L300-K302 PolarHBondContact O-N 3.08Å; K302-S306 PolarHBondContact O-OG 2.86Å
303	H	35.8	Very low	33.6	Very low	128 Å²	128	106.9 Å²	106.9	59%	0.593	61%	0.608	S	S	*	*	H	α-helix	trans	-67.7	-39.9	179.1	-85	-89.3	0	0	0	113.3	V299 L300 K305 S306	V299-H303 PolarHBondContact O-N 3.07Å; L300-H303 PolarHBondContact O-N 2.88Å; H303-K305 PolarHBondContact O-N 3.03Å; H303-S306 PolarHBondContact O-N 2.86Å
304	I	35	Very low	33.1	Very low	130 Å²	130	105.3 Å²	105.3	67%	0.667	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-25.9	-178.1	-66.1	170.3	0	0	0	112.7	L300	L300-I304 WeakPolarHBondContact O-CG1 3.4Å; L300-I304 PolarHBondContact O-N 3.03Å
305	K	34.7	Very low	32.3	Very low	185 Å²	185	105.4 Å²	105.4	80%	0.804	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-4.8	176.9	-80	-177.2	174.3	177.2	0	114.9	H303	H303-K305 PolarHBondContact O-N 3.03Å
306	S	34.1	Very low	31.7	Very low	95 Å²	95	108.5 Å²	108.5	66%	0.664	64%	0.636	S	S	*	*	S	Bend	trans	-110.1	-2	-169.3	-55	0	0	0	0	114	K302 H303	K302-S306 PolarHBondContact O-OG 2.86Å; H303-S306 PolarHBondContact O-N 2.86Å
307	Q	31.7	Very low	31.1	Very low	178 Å²	178	112.9 Å²	112.9	83%	0.832	66%	0.656	S	S	*	*			trans	-109.3	27.1	-169.9	-149.9	171.7	31.5	0	0	114.2
308	T	24.2	Very low	30.7	Very low	129 Å²	129	116 Å²	116	79%	0.791	67%	0.668	S	S	*	*			trans	-125.6	68.2	-176.4	-45.2	0	0	0	0	112.1
309	V	27.1	Very low	30.1	Very low	146 Å²	146	120.4 Å²	120.4	89%	0.885	69%	0.686	S	S	*	*			trans	-127.1	130.4	165	-178.1	0	0	0	0	108.6
310	A	24.9	Very low	29.7	Very low	101 Å²	101	123.6 Å²	123.6	84%	0.835	71%	0.71	S	S	*	*			trans	-82.1	149.8	-160.6	0	0	0	0	0	115.1
311	A	25.1	Very low	29.7	Very low	104 Å²	104	126 Å²	126	86%	0.86	72%	0.724	S	S	*	*			trans	-135.6	114.8	148.6	0	0	0	0	0	109.1
312	S	24	Very low	29.6	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	74%	0.736	S	S	*	*			trans	-79.8	177.8	169.6	45.9	0	0	0	0	109.7
313	I	24.7	Very low	29.4	Very low	145 Å²	145	130.8 Å²	130.8	74%	0.744	75%	0.754	S	S	*	*			cis	-156.4	163.1	36.1	-58.7	165.4	0	0	0	108.7
314	S	26.5	Very low	29.2	Very low	97 Å²	97	131.6 Å²	131.6	68%	0.678	76%	0.762	S	S	*	*			trans	118.1	106.2	157.8	-49.8	0	0	0	0	112.2
315	T	26.1	Very low	29	Very low	115 Å²	115	132.8 Å²	132.8	71%	0.706	77%	0.768	S	S	*	*				67.1	127.4	73.6	64.8	0	0	0	0	112.5
316	D	27.8	Very low	28.8	Very low	125 Å²	125	129.6 Å²	129.6	67%	0.668	76%	0.764	S	S	*	*			cis	-145.3	156.5	26.5	-94.2	-45	0	0	0	115.9
317	I	27	Very low	28.7	Very low	136 Å²	136	131.1 Å²	131.1	70%	0.697	77%	0.769	S	S	*	*			trans	35.8	125.9	130.6	-48.4	162.3	0	0	0	116.8
318	T	29.3	Very low	28.6	Very low	105 Å²	105	129.2 Å²	129.2	64%	0.644	77%	0.765	S	S	*	*				-167.1	151.2	66	-28.7	0	0	0	0	112.8
319	E	29.5	Very low	29.1	Very low	177 Å²	177	128.2 Å²	128.2	83%	0.827	76%	0.759	S	S	*	*			trans	38.8	142.2	143.1	-78.4	165.3	-176.6	0	0	122.6
320	S	31.1	Very low	29.5	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	75%	0.749	S	S	*	*			cis	-159.5	131.5	17.5	42.9	0	0	0	0	116.4
321	N	31	Very low	30	Very low	161 Å²	161	128.1 Å²	128.1	86%	0.861	74%	0.739	S	S	*	*			trans	43.2	133.8	145.3	-67.3	-24.9	0	0	0	126
322	P	35	Very low	30.6	Very low	116 Å²	116	130.3 Å²	130.3	75%	0.753	73%	0.731	S	S	*	*			trans	-111	179.2	167.4	42.9	-34.9	0	0	0	114.8
323	I	33.3	Very low	31.2	Very low	160 Å²	160	131 Å²	131	82%	0.821	73%	0.726	S	S	*	*			trans	-141.6	100	173.2	-55.2	-177.1	0	0	0	115.5
324	N	30.1	Very low	31.7	Very low	145 Å²	145	130.9 Å²	130.9	78%	0.775	73%	0.727	S	S	*	*			trans	48.6	153.1	130.6	-62.2	-28.5	0	0	0	128.3
325	I	31.3	Very low	31.9	Very low	155 Å²	155	133.4 Å²	133.4	80%	0.795	73%	0.733	S	S	*	*			trans	115.5	120.9	156.2	-62.8	170.4	0	0	0	114.4
326	V	30.7	Very low	32	Very low	117 Å²	117	133.9 Å²	133.9	71%	0.709	74%	0.736	S	S	*	*			cis	95.3	129.9	15.8	-176	0	0	0	0	113.2
327	T	32.7	Very low	31.9	Very low	127 Å²	127	133.6 Å²	133.6	78%	0.779	74%	0.743	S	S	*	*			cis	-162.3	179.6	13.2	17.7	0	0	0	0	108.6
328	N	29.9	Very low	31.8	Very low	139 Å²	139	132 Å²	132	74%	0.743	74%	0.744	S	S	*	*			cis	172.9	-172.1	-27.4	-175.6	23.5	0	0	0	109
329	V	34.1	Very low	31.6	Very low	108 Å²	108	132.2 Å²	132.2	66%	0.655	75%	0.75	S	S	*	*			trans	107.4	108.4	150	-178.3	0	0	0	0	122
330	N	34.9	Very low	31.4	Very low	129 Å²	129	129.3 Å²	129.3	69%	0.69	74%	0.744	S	S	*	*			trans	53.8	154.4	132.6	-59.1	46.4	0	0	0	123.8
331	D	35.4	Very low	31.2	Very low	115 Å²	115	130.4 Å²	130.4	62%	0.615	74%	0.74	S	S	*	*			cis	-165.1	174.6	-4.1	-127.3	-43.7	0	0	0	117.2
332	H	38	Very low	30.9	Very low	151 Å²	151	127 Å²	127	70%	0.699	73%	0.729	S	S	*	*			trans	96.7	95.2	148.6	-74.5	-5.3	0	0	0	125.8
333	N	36	Very low	30.4	Very low	120 Å²	120	131 Å²	131	64%	0.642	74%	0.735	S	S	*	*				53	112.4	117.2	-59.5	-6.7	0	0	0	124.3
334	N	35.1	Very low	30	Very low	143 Å²	143	129.3 Å²	129.3	77%	0.765	73%	0.727	S	S	*	*				167.7	119.9	95	-94.7	-32.6	0	0	0	117.6
335	N	31.5	Very low	30	Very low	150 Å²	150	127.7 Å²	127.7	80%	0.802	72%	0.724	S	S	*	*			trans	72.5	129.4	137.1	-93.3	-5.8	0	0	0	126.2
336	V	28.2	Very low	29.7	Very low	125 Å²	125	127 Å²	127	76%	0.758	72%	0.72	S	S	*	*			trans	85.5	101.5	155.7	-174.3	0	0	0	0	119.7
337	S	25	Very low	29.6	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	72%	0.724	S	S	*	*	S	Bend	trans	63.4	61.4	145.2	-56.2	0	0	0	0	120.8
338	S	25.4	Very low	29.3	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	72%	0.721	S	S	*	*	S	Bend	trans	-164.9	129.3	148	-175.9	0	0	0	0	112.7
339	S	24.9	Very low	29	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	72%	0.724	S	S	*	*			trans	54.8	-147	168.8	75.8	0	0	0	0	115.6
340	V	25.7	Very low	28.6	Very low	116 Å²	116	133.9 Å²	133.9	70%	0.703	73%	0.734	S	S	*	*			trans	70.7	101.1	-177.1	-170.2	0	0	0	0	113.4
341	I	27.4	Very low	28	Very low	130 Å²	130	133.6 Å²	133.6	67%	0.667	74%	0.736	S	S	*	*				78.6	121.2	59.1	-60.9	160.7	0	0	0	113.8
342	S	23.9	Very low	27.6	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	75%	0.747	S	S	*	*			trans	176.2	147.4	136.3	45.7	0	0	0	0	109.2
343	F	24.5	Very low	26.9	Very low	200 Å²	200	132.9 Å²	132.9	88%	0.877	75%	0.746	S	S	*	*			cis	-125.8	163.1	14.1	-79.5	-91.4	0	0	0	114.8
344	I	26.2	Very low	26.3	Very low	126 Å²	126	133.7 Å²	133.7	65%	0.646	75%	0.75	S	S	*	*			trans	-109.6	168.1	178.3	-67.2	156.6	0	0	0	106.1	I346	I344-I346 HydrophobicContact CG2-CD1 3.97Å; I344-I346 HydrophobicContact CG2-CG1 4.29Å
345	P	28.6	Very low	25.9	Very low	110 Å²	110	132.8 Å²	132.8	71%	0.714	75%	0.745	S	S	*	*			cis	-121.5	163.9	14.1	9.4	19.2	0	0	0	115.7
346	I	25.1	Very low	25.8	Very low	142 Å²	142	133.1 Å²	133.1	73%	0.728	74%	0.742	S	S	*	*				67	111.3	68.7	-49.1	165.6	0	0	0	115.8	I344	I344-I346 HydrophobicContact CG2-CD1 3.97Å; I344-I346 HydrophobicContact CG2-CG1 4.29Å
347	Q	28.3	Very low	25.7	Very low	166 Å²	166	131.4 Å²	131.4	78%	0.776	74%	0.735	S	S	*	*				-160.4	113.7	127.6	-104.7	170.2	2.3	0	0	109
348	Q	27.5	Very low	25.9	Very low	154 Å²	154	132.4 Å²	132.4	72%	0.72	73%	0.731	S	S	*	*				62.9	103.2	109.8	-69.1	179.3	-38.5	0	0	113.9
349	L	22.8	Very low	25.9	Very low	153 Å²	153	134.4 Å²	134.4	80%	0.801	73%	0.733	S	S	*	*				50.9	112.3	77.2	-75.3	165.5	0	0	0	113.9
350	N	26.3	Very low	26	Very low	162 Å²	162	135.9 Å²	135.9	87%	0.866	73%	0.732	S	S	*	*				-162	147	108.8	-98.4	-17.5	0	0	0	112.4
351	V	22.4	Very low	26.1	Very low	123 Å²	123	135.9 Å²	135.9	75%	0.745	73%	0.732	S	S	*	*			trans	-93.2	138.1	163.3	173.7	0	0	0	0	107.4	I353	V351-I353 HydrophobicContact CG1-CG1 4.33Å
352	S	26.1	Very low	26.3	Very low	120 Å²	120	136 Å²	136	84%	0.839	73%	0.734	S	S	*	*			trans	-138	144.8	149	-165.4	0	0	0	0	109.4
353	I	23.3	Very low	26.6	Very low	131 Å²	131	137.3 Å²	137.3	67%	0.672	73%	0.734	S	S	*	*			trans	-103	164.8	176.8	-72.4	168.6	0	0	0	107.9	V351	V351-I353 HydrophobicContact CG1-CG1 4.33Å
354	D	23.5	Very low	26.9	Very low	137 Å²	137	136 Å²	136	73%	0.733	73%	0.73	S	S	*	*			trans	84.4	137.8	158.9	-86.4	-14.4	0	0	0	122.6
355	N	26.4	Very low	27.4	Very low	123 Å²	123	134.7 Å²	134.7	66%	0.658	73%	0.733	S	S	*	*			trans	99.6	123.6	140	-85.1	-52.5	0	0	0	122.5
356	Q	29.5	Very low	27.5	Very low	157 Å²	157	136.3 Å²	136.3	73%	0.734	74%	0.735	S	S	*	*			trans	76.4	89.7	140.4	-69	163.5	47.1	0	0	120.1
357	S	26.5	Very low	27.9	Very low	90 Å²	90	135.1 Å²	135.1	63%	0.629	73%	0.73	S	S	*	*				6	123.9	120.6	57.9	0	0	0	0	118.7
358	N	29.5	Very low	28.2	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	73%	0.73	S	S	*	*				160.5	128.6	114.7	-83	-31.5	0	0	0	114.1
359	L	25.6	Very low	28.5	Very low	145 Å²	145	132.8 Å²	132.8	76%	0.759	73%	0.726	S	S	*	*			trans	51.7	141.3	136.2	-89.6	70	0	0	0	124.1
360	L	27.3	Very low	29	Very low	141 Å²	141	131.3 Å²	131.3	74%	0.738	72%	0.719	S	S	*	*			trans	79.4	104.5	144.5	-68.5	166.4	0	0	0	121.2
361	V	27.3	Very low	29.4	Very low	116 Å²	116	129.9 Å²	129.9	70%	0.703	71%	0.712	S	S	*	*				54.9	121.4	108.5	171.7	0	0	0	0	119.1
362	D	31.5	Very low	29.9	Very low	132 Å²	132	129 Å²	129	71%	0.706	71%	0.711	S	S	*	*				-171.3	151.6	112.2	-116.6	-21.2	0	0	0	117.6
363	N	31.3	Very low	30.4	Very low	117 Å²	117	128.8 Å²	128.8	63%	0.626	70%	0.704	S	S	*	*			trans	60.5	106	149.4	-63	-44.2	0	0	0	125.8
364	E	30.8	Very low	31	Very low	172 Å²	172	128.9 Å²	128.9	80%	0.804	71%	0.706	S	S	*	*				47.7	136.9	114.2	-62.3	-165.7	152.2	0	0	123.9
365	S	35.4	Very low	31.5	Very low	99 Å²	99	127.7 Å²	127.7	69%	0.692	70%	0.7	S	S	*	*				172.7	134.7	92.8	46.1	0	0	0	0	117.2
366	N	32.2	Very low	31.9	Very low	143 Å²	143	129.2 Å²	129.2	77%	0.765	70%	0.703	S	S	*	*			trans	66.7	150.5	141.7	-67.5	-30.3	0	0	0	121.3
367	L	33.7	Very low	32.2	Very low	117 Å²	117	127.5 Å²	127.5	61%	0.613	70%	0.699	S	S	*	*			cis	-165.2	159.3	3.1	-122	169.8	0	0	0	112.8
368	F	33.4	Very low	32.5	Very low	179 Å²	179	128.9 Å²	128.9	79%	0.785	70%	0.7	S	S	*	*			trans	65.1	153.9	164.9	-62.6	-59.4	0	0	0	118.2
369	S	33.9	Very low	32.5	Very low	92 Å²	92	128 Å²	128	64%	0.643	70%	0.695	S	S	*	*			cis	171.8	160.2	-24.7	-100.2	0	0	0	0	106.7
370	D	33.3	Very low	32.7	Very low	122 Å²	122	128 Å²	128	65%	0.652	70%	0.695	S	S	*	*			cis	-167.9	159.5	7.7	-121.8	31.1	0	0	0	110.5
371	N	34.1	Very low	32.9	Very low	132 Å²	132	128.2 Å²	128.2	71%	0.706	70%	0.695	S	S	*	*			trans	66.8	115.3	155.6	-59.9	-39.6	0	0	0	120
372	S	33	Very low	32.8	Very low	106 Å²	106	130 Å²	130	74%	0.741	70%	0.696	S	S	*	*				95.3	145.2	71	82.9	0	0	0	0	112.8
373	V	36.4	Very low	32.9	Very low	114 Å²	114	129.2 Å²	129.2	69%	0.691	70%	0.696	S	S	*	*			cis	-166.6	153.3	10.8	97.9	0	0	0	0	110.5
374	D	36.7	Very low	32.7	Very low	133 Å²	133	129.6 Å²	129.6	71%	0.711	70%	0.698	S	S	*	*			trans	42.9	154.3	153.9	-45	-21.6	0	0	0	122.1
375	N	34.9	Very low	32.8	Very low	113 Å²	113	129.4 Å²	129.4	60%	0.604	70%	0.696	S	S	*	*			cis	-156.7	170.5	-4.1	-132	20.6	0	0	0	111.7
376	E	34	Very low	32.5	Very low	155 Å²	155	132 Å²	132	72%	0.724	70%	0.695	S	S	*	*			trans	26.4	147.9	139	-65.7	168.1	178.5	0	0	120.9
377	D	34.9	Very low	32.3	Very low	121 Å²	121	130 Å²	130	65%	0.647	68%	0.684	S	S	*	*			cis	-168	165.9	28.6	-148.9	2.5	0	0	0	114.8
378	N	33.2	Very low	32.3	Very low	119 Å²	119	132.8 Å²	132.8	64%	0.636	69%	0.694	S	S	*	*			trans	34.4	149.9	141.7	-81.7	-40.7	0	0	0	123.3
379	N	30.3	Very low	32	Very low	120 Å²	120	130.6 Å²	130.6	64%	0.642	69%	0.691	S	S	*	*			cis	-175.7	167.6	-18.2	-150	-37.8	0	0	0	109.2
380	L	28.4	Very low	31.9	Very low	145 Å²	145	135 Å²	135	76%	0.759	70%	0.701	S	S	*	*			trans	47.5	135.2	148.8	-122.5	63.1	0	0	0	119.6
381	I	32.1	Very low	31.8	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	71%	0.709	S	S	*	*				-160.5	139.7	71.3	-82.4	168.8	0	0	0	111.5	V383	I381-V383 HydrophobicContact CG2-CG2 3.91Å
382	E	25.9	Very low	31.6	Very low	153 Å²	153	138.1 Å²	138.1	72%	0.715	71%	0.711	S	S	*	*			trans	-91.9	137.6	167.4	179.2	-161.6	163.8	0	0	110.7	N384	E382-N384 PolarHBondContact OE1-ND2 3.21Å
383	V	33.5	Very low	31.5	Very low	116 Å²	116	138.7 Å²	138.7	70%	0.703	71%	0.712	S	S	*	*			trans	-138.3	109.6	162.3	-176.7	0	0	0	0	111.2	I381	I381-V383 HydrophobicContact CG2-CG2 3.91Å
384	N	25.8	Very low	30.9	Very low	125 Å²	125	140.2 Å²	140.2	67%	0.668	72%	0.717	S	S	*	*			trans	-84.2	125	172.1	-105.5	-68.1	0	0	0	111.8	E382	E382-N384 PolarHBondContact OE1-ND2 3.21Å
385	H	33.9	Very low	30.4	Very low	167 Å²	167	139 Å²	139	77%	0.773	72%	0.719	S	S	*	*			trans	-158.5	148.1	156.8	-77.4	-45.4	0	0	0	109.8
386	K	29.8	Very low	30.1	Very low	154 Å²	154	141.2 Å²	141.2	67%	0.67	73%	0.727	S	S	*	*			cis	175	141.5	-30.8	-123.9	-165.7	165.7	-67.5	0	105.6
387	D	27.6	Very low	29.7	Very low	100 Å²	100	140.1 Å²	140.1	54%	0.535	73%	0.731	S	S	.	*			trans	26.4	123	152.6	-32.8	-20.8	0	0	0	120.6
388	H	33.1	Very low	29.3	Very low	177 Å²	177	142.3 Å²	142.3	82%	0.819	74%	0.738	S	S	*	*				174.3	120.2	121.7	-83	-50.9	0	0	0	107
389	D	27.3	Very low	29.1	Very low	133 Å²	133	145.3 Å²	145.3	71%	0.711	75%	0.748	S	S	*	*				72.1	143.1	57.3	-71.9	-43.1	0	0	0	114.4
390	E	30.6	Very low	29	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	75%	0.745	S	S	*	*			trans	69	141.7	176.4	-59.9	173.3	178.9	0	0	115.2
391	E	31.3	Very low	28.9	Very low	175 Å²	175	142.8 Å²	142.8	82%	0.818	75%	0.748	S	S	*	*			cis	-153.3	163.4	-3.9	-132.9	-175.5	175.2	0	0	111.1
392	L	29.9	Very low	28.6	Very low	145 Å²	145	142.3 Å²	142.3	76%	0.759	75%	0.746	S	S	*	*			trans	-101	129.6	175.9	-144.6	105.5	0	0	0	110.9
393	P	31.1	Very low	28.7	Very low	118 Å²	118	143.5 Å²	143.5	77%	0.766	76%	0.757	S	S	*	*			trans	-105.8	110.5	163.6	33	-26.5	0	0	0	112.1
394	N	25	Very low	28.3	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	76%	0.762	S	S	*	*			trans	-73.9	129.4	160.1	-69	-65.4	0	0	0	109.6
395	S	26.2	Very low	28.3	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	77%	0.768	S	S	*	*			trans	152.9	135.3	165.3	-178.1	0	0	0	0	107.2
396	M	28.6	Very low	27.9	Very low	158 Å²	158	146.2 Å²	146.2	78%	0.778	77%	0.771	S	S	*	*			cis	-119.9	114.6	22.4	-66.2	168.3	-78.4	0	0	112.7
397	T	25.7	Very low	28	Very low	132 Å²	132	147.8 Å²	147.8	81%	0.81	78%	0.78	S	S	*	*			trans	-79.5	161.4	139.3	-36.2	0	0	0	0	107.5
398	E	26.5	Very low	27.8	Very low	168 Å²	168	148.1 Å²	148.1	79%	0.785	79%	0.79	S	S	*	*			trans	72.9	67.8	-178.4	-50.9	-165.5	134.6	0	0	117.3
399	Q	28.5	Very low	27.5	Very low	182 Å²	182	146.7 Å²	146.7	85%	0.85	79%	0.789	S	S	*	*				-111.5	71.8	126	-69.7	-163.6	18.9	0	0	107.8
400	V	27.4	Very low	27.6	Very low	96 Å²	96	147.5 Å²	147.5	58%	0.582	79%	0.793	S	S	*	*				85.5	98.5	92.4	166.2	0	0	0	0	110.7	N402	V400-N402 HydrophobicContact CG1-CB 4.29Å; V400-N402 WeakPolarHBondContact CG1-ND2 3.45Å; V400-N402 PolarHBondContact O-N 3.05Å
401	S	26.3	Very low	27.3	Very low	116 Å²	116	147.9 Å²	147.9	81%	0.811	80%	0.795	S	S	*	*			trans	-61.1	95.1	173.6	-50.6	0	0	0	0	111.2
402	N	26.1	Very low	27.1	Very low	135 Å²	135	148.5 Å²	148.5	72%	0.722	80%	0.795	S	S	*	*			trans	-150.1	48.4	176.1	-91.1	-42.9	0	0	0	112.6	V400	V400-N402 HydrophobicContact CG1-CB 4.29Å; V400-N402 WeakPolarHBondContact CG1-ND2 3.45Å; V400-N402 PolarHBondContact O-N 3.05Å
403	L	27.9	Very low	27.1	Very low	179 Å²	179	148.3 Å²	148.3	94%	0.937	80%	0.795	S	S	*	*			trans	-154	40.1	161.4	-112.8	159	0	0	0	111.9
404	L	25.6	Very low	26.9	Very low	154 Å²	154	148.3 Å²	148.3	81%	0.806	79%	0.793	S	S	*	*			trans	-98.7	159.1	150.3	-77.6	164.2	0	0	0	107.1
405	I	25.7	Very low	27	Very low	155 Å²	155	148.6 Å²	148.6	80%	0.795	79%	0.793	S	S	*	*			trans	78	70.2	-176.7	-43.7	164.7	0	0	0	113.2
406	D	26	Very low	27.1	Very low	156 Å²	156	149.8 Å²	149.8	83%	0.834	79%	0.791	S	S	*	*	S	Bend	trans	174.8	125.2	136.9	-89.3	-16.5	0	0	0	106.3
407	E	30.8	Very low	27.2	Very low	187 Å²	187	149.3 Å²	149.3	87%	0.874	79%	0.792	S	S	*	*			cis	-116.8	132.7	4.1	-63.7	169.7	110.5	0	0	110.9
408	S	24.3	Very low	27.4	Very low	106 Å²	106	151.5 Å²	151.5	74%	0.741	80%	0.799	S	S	*	*			trans	-118.2	80.3	170.1	66.7	0	0	0	0	111
409	N	26.4	Very low	27.6	Very low	147 Å²	147	152 Å²	152	79%	0.786	80%	0.801	S	S	*	*			trans	-178.5	139.2	162.6	-81.1	-35.5	0	0	0	105.1
410	D	28.9	Very low	27.8	Very low	150 Å²	150	152.3 Å²	152.3	80%	0.802	80%	0.8	S	S	*	*			cis	-126.4	136.9	16.1	-81.5	-50.4	0	0	0	113.7
411	Q	25.9	Very low	28.1	Very low	193 Å²	193	156.7 Å²	156.7	90%	0.902	81%	0.814	S	S	*	*			trans	-90.3	91.4	157.4	-76.5	-174.1	-29.8	0	0	110.3
412	K	27.3	Very low	28.3	Very low	188 Å²	188	163.1 Å²	163.1	82%	0.817	82%	0.82	S	S	*	*			trans	-169.6	153.5	154.6	-113.3	154.5	-173.4	171	0	115.1
413	N	28.4	Very low	28.6	Very low	140 Å²	140	165.7 Å²	165.7	75%	0.749	83%	0.825	S	S	*	*			trans	69.9	97.8	178.6	-50.7	-11.9	0	0	0	113
414	T	26.9	Very low	28.8	Very low	119 Å²	119	166.5 Å²	166.5	73%	0.73	82%	0.824	S	S	*	*			cis	71.4	121.6	39.9	83.1	0	0	0	0	116.5
415	L	27.9	Very low	28.9	Very low	151 Å²	151	165.6 Å²	165.6	79%	0.791	83%	0.825	S	S	*	*			trans	81.8	137.7	158.8	-93.8	72.7	0	0	0	120.2
416	N	28.2	Very low	29.1	Very low	134 Å²	134	167.4 Å²	167.4	72%	0.717	83%	0.829	S	S	*	*			trans	68.9	110.6	157.8	-59.3	9.2	0	0	0	118.9
417	D	31	Very low	29.3	Very low	147 Å²	147	167.7 Å²	167.7	79%	0.786	83%	0.831	S	S	*	*				-159.9	43.7	117.1	-110.5	-6.2	0	0	0	113	E419	D417-E419 PolarHBondContact O-N 3.35Å
418	D	30.1	Very low	29.3	Very low	178 Å²	178	165.8 Å²	165.8	95%	0.952	83%	0.826	S	S	*	*			trans	-76.6	31.5	173.1	-87.8	-49.2	0	0	0	113.4
419	E	31.1	Very low	29.4	Very low	180 Å²	180	166.7 Å²	166.7	84%	0.841	83%	0.827	S	S	*	*			trans	-147	58.4	-176.9	-149.8	174.4	-167	0	0	115.3	D417	D417-E419 PolarHBondContact O-N 3.35Å
420	K	32.2	Very low	29.5	Very low	188 Å²	188	166.2 Å²	166.2	82%	0.817	82%	0.824	S	S	*	*	S	Bend	trans	-144.1	154.3	161.9	-112	160.8	-170.9	162.8	0	113.1	R422	K420-R422 VanDerWaalsContact C-N 3.31Å; K420-R422 PolarHBondContact O-N 2.82Å
421	E	32.9	Very low	29.5	Very low	187 Å²	187	163.6 Å²	163.6	87%	0.874	82%	0.818	S	S	*	*	S	Bend	trans	64.7	14.9	177.3	-53.7	-159.7	158.5	0	0	118.2	K423	E421-K423 PolarHBondContact O-N 3.49Å
422	R	30.8	Very low	29.6	Very low	251 Å²	251	159.5 Å²	159.5	95%	0.947	81%	0.806	S	S	*	*			trans	-81.6	56.8	142.5	-108.2	-168.5	176	-139.5	0.2	110.9	K420	K420-R422 VanDerWaalsContact C-N 3.31Å; K420-R422 PolarHBondContact O-N 2.82Å
423	K	32.1	Very low	29.4	Very low	190 Å²	190	156 Å²	156	83%	0.826	80%	0.8	S	S	*	*			trans	-162.3	53.9	178.1	-122.3	166.4	-171.5	170.7	0	115	E421	E421-K423 PolarHBondContact O-N 3.49Å
424	Q	32.6	Very low	29.4	Very low	196 Å²	196	157.8 Å²	157.8	92%	0.916	80%	0.802	S	S	*	*	S	Bend	trans	-156.6	44.1	161.1	-121.6	163.1	106.6	0	0	111.8
425	V	28.1	Very low	29.4	Very low	135 Å²	135	158.5 Å²	158.5	82%	0.818	80%	0.8	S	S	*	*	S	Bend	trans	-127.9	143.4	163.1	-176.8	0	0	0	0	104.8
426	E	30.3	Very low	29.6	Very low	192 Å²	192	160 Å²	160	90%	0.897	80%	0.803	S	S	*	*			trans	66.2	74.1	-169.1	-53.8	-175.4	152.1	0	0	114.3
427	D	29.5	Very low	29.6	Very low	162 Å²	162	160.7 Å²	160.7	87%	0.866	81%	0.806	S	S	*	*			trans	-142.4	142.5	139.3	-139.6	-23.8	0	0	0	111.6
428	L	31.3	Very low	29.8	Very low	148 Å²	148	161.3 Å²	161.3	78%	0.775	80%	0.804	S	S	*	*			trans	46	77.6	175.9	-141.7	68	0	0	0	120.4
429	V	26.3	Very low	29.9	Very low	125 Å²	125	158.1 Å²	158.1	76%	0.758	79%	0.787	S	S	*	*			trans	-68.2	157.5	137.2	172.7	0	0	0	0	109.1
430	N	27.7	Very low	29.9	Very low	137 Å²	137	155.2 Å²	155.2	73%	0.733	78%	0.777	S	S	*	*			trans	84.9	144.8	-172.2	-45.4	-60	0	0	0	113.4
431	S	28.3	Very low	30	Very low	95 Å²	95	152.6 Å²	152.6	66%	0.664	77%	0.771	S	S	*	*			cis	-153.9	156.1	13.5	-159.3	0	0	0	0	114
432	T	27.8	Very low	29.9	Very low	107 Å²	107	149.8 Å²	149.8	66%	0.656	76%	0.762	S	S	*	*			trans	25.1	123.2	145.7	53.4	0	0	0	0	120.7
433	V	24.7	Very low	29.8	Very low	113 Å²	113	143.2 Å²	143.2	69%	0.685	75%	0.75	S	S	*	*				79.4	153.2	66.8	172.8	0	0	0	0	113.9
434	F	28.1	Very low	29.7	Very low	179 Å²	179	139.2 Å²	139.2	79%	0.785	75%	0.746	S	S	*	*			trans	81.3	121.7	-170.7	-51.1	-73.6	0	0	0	113.8
435	I	26.8	Very low	29.7	Very low	134 Å²	134	134.7 Å²	134.7	69%	0.687	74%	0.736	S	S	*	*			cis	84.5	120	27.2	-52.3	169.3	0	0	0	114.3
436	E	32.1	Very low	29.6	Very low	183 Å²	183	137.8 Å²	137.8	86%	0.855	74%	0.739	S	S	*	*			trans	150.8	102	152	-86.7	170.1	-157.4	0	0	106.8
437	D	28.9	Very low	29.5	Very low	147 Å²	147	133 Å²	133	79%	0.786	73%	0.726	S	S	*	*				66.9	117.2	69	-80.1	-35.7	0	0	0	115.7
438	E	33.4	Very low	29.4	Very low	161 Å²	161	130.6 Å²	130.6	75%	0.752	72%	0.717	S	S	*	*				161.8	125.5	119.5	-85.2	-120.1	130.8	0	0	113.5
439	N	32.8	Very low	29.2	Very low	110 Å²	110	128.7 Å²	128.7	59%	0.588	71%	0.712	S	S	*	*			trans	62.6	147.3	132.6	-64.7	-22.2	0	0	0	121.5
440	N	32.3	Very low	29.4	Very low	119 Å²	119	132.7 Å²	132.7	64%	0.636	72%	0.715	S	S	*	*			cis	-166.9	166.4	0.1	-126	-30.2	0	0	0	112.4
441	I	33	Very low	29.5	Very low	133 Å²	133	131.1 Å²	131.1	68%	0.682	71%	0.71	S	S	*	*			trans	64.1	135.6	143.9	-70.3	166.1	0	0	0	118.6
442	D	31.3	Very low	29.8	Very low	129 Å²	129	134.2 Å²	134.2	69%	0.69	72%	0.715	S	S	*	*			cis	-159	160.3	-11.9	-116.2	-25.5	0	0	0	114.2
443	T	28.2	Very low	29.9	Very low	112 Å²	112	138.1 Å²	138.1	69%	0.687	73%	0.725	S	S	*	*			trans	1.8	146.7	159.9	63.2	0	0	0	0	124.3
444	S	31.1	Very low	30.5	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	72%	0.724	S	S	*	*			trans	78.3	147.9	141	76.8	0	0	0	0	119.9
445	S	32.1	Very low	30.7	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	73%	0.725	S	S	*	*			cis	-170.8	147.3	-18.4	49.7	0	0	0	0	113
446	F	26.7	Very low	30.8	Very low	201 Å²	201	133.5 Å²	133.5	88%	0.882	73%	0.725	S	S	*	*			trans	66.1	129.6	149.1	-92.5	-113.6	0	0	0	122.4
447	S	27.7	Very low	30.7	Very low	91 Å²	91	130.4 Å²	130.4	64%	0.636	72%	0.723	S	S	*	*			trans	97.4	106.7	135.2	-71.4	0	0	0	0	123.8
448	T	27.4	Very low	30.8	Very low	111 Å²	111	127.9 Å²	127.9	68%	0.681	72%	0.717	S	S	*	*				76	102.5	124.2	61.3	0	0	0	0	123.3
449	T	26.7	Very low	30.8	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.663	72%	0.72	S	S	*	*				74.5	148.7	123.8	61.5	0	0	0	0	123.2
450	Y	30.3	Very low	31.2	Very low	210 Å²	210	126.1 Å²	126.1	82%	0.824	73%	0.728	S	S	*	*			trans	73.4	135.2	159.7	-65.2	-61	0	0	0	118.1
451	T	31	Very low	31.2	Very low	103 Å²	103	125.6 Å²	125.6	63%	0.632	73%	0.73	S	S	*	*			cis	-159.9	176	-18.1	-21.4	0	0	0	0	110.6
452	E	33.7	Very low	31.2	Very low	161 Å²	161	127.7 Å²	127.7	75%	0.752	74%	0.736	S	S	*	*			trans	72.4	102.9	145.2	-82.4	160.2	-133.5	0	0	123.6
453	Q	30.8	Very low	31.2	Very low	188 Å²	188	126.7 Å²	126.7	88%	0.879	74%	0.735	S	S	*	*				68	159.8	120.2	-78.2	-152.6	-118.7	0	0	123.6
454	P	37.1	Very low	31.4	Very low	101 Å²	101	127.5 Å²	127.5	66%	0.656	73%	0.734	S	S	*	*			trans	-131	-143.7	-149.9	45.6	-27.9	0	0	0	114.9
455	T	31.7	Very low	31.4	Very low	133 Å²	133	131 Å²	131	82%	0.816	74%	0.738	S	S	*	*			trans	99.1	147.4	176.9	69.8	0	0	0	0	116.1
456	S	29.2	Very low	31.3	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	74%	0.739	S	S	*	*			cis	-173.2	151.5	-23.5	53.5	0	0	0	0	113
457	S	29.1	Very low	31.4	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	73%	0.73	S	S	*	*			trans	70.5	163.6	157.9	86.4	0	0	0	0	117.8
458	S	32.4	Very low	31.6	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	73%	0.733	S	S	*	*			cis	-159.8	121.4	4	56.2	0	0	0	0	116
459	S	32.9	Very low	31.8	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	74%	0.739	S	S	*	*			trans	62.5	179.2	130.6	81.2	0	0	0	0	122.2
460	P	40.6	Very low	31.8	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	75%	0.748	S	S	*	*				-138.5	-151.4	-121.2	39.1	-13.2	0	0	0	116
461	T	32.3	Very low	32.2	Very low	109 Å²	109	130.1 Å²	130.1	67%	0.669	74%	0.74	S	S	*	*				155.9	117.7	130	-61.4	0	0	0	0	116.9
462	E	32.6	Very low	32.1	Very low	176 Å²	176	132 Å²	132	82%	0.822	74%	0.744	S	S	*	*			trans	64.3	159.9	145.5	-65.4	178.3	-174.8	0	0	125.1
463	T	31.5	Very low	31.8	Very low	108 Å²	108	130.4 Å²	130.4	66%	0.663	75%	0.746	S	S	*	*			cis	-173.4	133.4	-21.6	-89.8	0	0	0	0	117.2
464	I	32.5	Very low	31.7	Very low	130 Å²	130	128.2 Å²	128.2	67%	0.667	74%	0.739	S	S	*	*			trans	45.1	134.7	140.5	-55.2	174.2	0	0	0	125.5	F466	I464-F466 HydrophobicContact CG2-CD2 3.99Å; I464-F466 HydrophobicContact CG2-CE2 3.62Å; I464-F466 HydrophobicContact CG2-CZ 4.35Å
465	E	31.9	Very low	31.4	Very low	180 Å²	180	129.5 Å²	129.5	84%	0.841	74%	0.741	S	S	*	*				-170.5	-159.1	125.3	-100.7	-148.2	137.5	0	0	117.3
466	F	29.2	Very low	31.2	Very low	161 Å²	161	129.6 Å²	129.6	71%	0.706	74%	0.736	S	S	*	*			trans	-157.3	-177.7	-137.7	-79.1	-55.2	0	0	0	114.9	I464	I464-F466 HydrophobicContact CG2-CD2 3.99Å; I464-F466 HydrophobicContact CG2-CE2 3.62Å; I464-F466 HydrophobicContact CG2-CZ 4.35Å
467	T	29.9	Very low	31.2	Very low	115 Å²	115	132.5 Å²	132.5	71%	0.706	74%	0.744	S	S	*	*			cis	-166	163	-0.3	8.2	0	0	0	0	114.6
468	T	30.3	Very low	31.2	Very low	112 Å²	112	134.5 Å²	134.5	69%	0.687	74%	0.744	S	S	*	*			trans	67.1	133.2	149.2	53.1	0	0	0	0	126.2
469	N	31.7	Very low	31.3	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	74%	0.742	S	S	*	*				156.4	168.9	121.9	-79.5	-55.2	0	0	0	117.6
470	L	27.9	Very low	31.1	Very low	163 Å²	163	135.3 Å²	135.3	85%	0.853	74%	0.742	S	S	*	*			trans	-143	-162.1	-166.2	-123.2	78.5	0	0	0	112.3
471	P	38.8	Very low	30.9	Very low	99 Å²	99	135 Å²	135	64%	0.643	74%	0.74	S	S	*	*				-125	-153	-68.8	33.3	-10.1	0	0	0	114.7
472	I	29	Very low	30.8	Very low	141 Å²	141	137.5 Å²	137.5	72%	0.723	75%	0.749	S	S	*	*			trans	127.5	120.1	144.3	-69.4	163.5	0	0	0	123.3
473	T	27.3	Very low	30.6	Very low	128 Å²	128	134.2 Å²	134.2	79%	0.785	75%	0.746	S	S	*	*			trans	58.7	168.3	152.5	57.6	0	0	0	0	124.9
474	L	28.2	Very low	30.7	Very low	143 Å²	143	136.5 Å²	136.5	75%	0.749	75%	0.752	S	S	*	*			cis	179	172	-35.5	-165.3	65.2	0	0	0	110.9
475	N	30.2	Very low	30.6	Very low	128 Å²	128	136.3 Å²	136.3	68%	0.684	75%	0.753	S	S	*	*			trans	85.8	150.2	164.4	-57.3	-30.7	0	0	0	118.3
476	N	27.7	Very low	30.4	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	75%	0.746	S	S	*	*			cis	-167.7	165.9	-7.9	-118	-19.1	0	0	0	114.7
477	L	30.2	Very low	30.7	Very low	158 Å²	158	135 Å²	135	83%	0.827	75%	0.749	S	S	*	*			trans	82	159.2	150.8	-71.8	161.3	0	0	0	124
478	L	27.6	Very low	30.8	Very low	158 Å²	158	135 Å²	135	83%	0.827	75%	0.748	S	S	*	*			trans	-156.8	-172.2	-162.8	-134.9	65.3	0	0	0	108
479	P	34.5	Very low	30.9	Very low	97 Å²	97	136 Å²	136	63%	0.63	75%	0.75	S	S	*	*			cis	-144.3	-157.8	-4.3	42.6	-20.1	0	0	0	116.6
480	T	29.8	Very low	30.9	Very low	134 Å²	134	136.6 Å²	136.6	82%	0.822	75%	0.747	S	S	*	*			trans	88.2	150.1	152.3	43.8	0	0	0	0	122.8
481	P	35.8	Very low	31	Very low	108 Å²	108	135.8 Å²	135.8	70%	0.701	74%	0.743	S	S	*	*			trans	-126.9	-176.4	-156.1	45	-30.6	0	0	0	116.5
482	N	30.4	Very low	30.5	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	75%	0.75	S	S	*	*			trans	-176.8	126.8	148.4	-99.8	-32.1	0	0	0	117.4
483	S	28.2	Very low	30.6	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	75%	0.747	S	S	*	*			trans	64.4	160.8	130.8	-147.5	0	0	0	0	125.8
484	I	33.4	Very low	30.6	Very low	157 Å²	157	138.2 Å²	138.2	81%	0.805	74%	0.742	S	S	*	*			trans	84.7	140.1	161.6	-54.2	174.6	0	0	0	118.5
485	D	29.8	Very low	30.6	Very low	125 Å²	125	136.4 Å²	136.4	67%	0.668	74%	0.737	S	S	*	*			cis	-174.5	169.7	-35	-151.7	-13.7	0	0	0	111.9
486	F	29.1	Very low	30.5	Very low	161 Å²	161	136.8 Å²	136.8	71%	0.706	74%	0.739	S	S	*	*			trans	90.7	130.1	144.7	-91.3	-57.2	0	0	0	127.9
487	M	34.4	Very low	30.6	Very low	154 Å²	154	135.9 Å²	135.9	76%	0.759	74%	0.738	S	S	*	*			trans	102.5	153.1	143	-71.7	-54.8	177.8	0	0	123.7
488	T	31.8	Very low	30.4	Very low	113 Å²	113	134.4 Å²	134.4	69%	0.693	74%	0.736	S	S	*	*			trans	-141.1	177.4	-152.3	52.8	0	0	0	0	114.7
489	D	33.1	Very low	30.5	Very low	135 Å²	135	131.9 Å²	131.9	72%	0.722	73%	0.732	S	S	*	*			trans	164	125.6	131.4	-77.9	0.5	0	0	0	110.6
490	E	31.5	Very low	30.3	Very low	164 Å²	164	135.1 Å²	135.1	77%	0.766	74%	0.743	S	S	*	*				68.5	142.9	92.6	-87.7	-153.1	130.7	0	0	116.5
491	L	30.6	Very low	30.1	Very low	147 Å²	147	133.8 Å²	133.8	77%	0.77	74%	0.739	S	S	*	*			cis	-156.9	-179.2	-3	-172	55	0	0	0	111.4
492	L	27.3	Very low	30.1	Very low	150 Å²	150	134.3 Å²	134.3	79%	0.785	74%	0.742	S	S	*	*			trans	-70.5	177.3	-176.8	-116.3	70.4	0	0	0	119
493	D	32	Very low	29.9	Very low	125 Å²	125	131.3 Å²	131.3	67%	0.668	73%	0.734	S	S	*	*			trans	105.2	150.5	154.7	-82.1	3.6	0	0	0	119.3
494	Q	27.6	Very low	30.1	Very low	143 Å²	143	131.7 Å²	131.7	67%	0.668	74%	0.737	S	S	*	*			cis	-169.7	149.8	-30.8	-125.1	-174.6	80.5	0	0	110.2
495	T	27.8	Very low	29.8	Very low	105 Å²	105	129.4 Å²	129.4	64%	0.644	73%	0.73	S	S	*	*			trans	68.6	134.7	150	61	0	0	0	0	125.5
496	N	28.8	Very low	29.8	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	74%	0.739	S	S	*	*				98.9	108.7	129.4	-75.4	-7.5	0	0	0	125.7
497	T	29.1	Very low	29.7	Very low	115 Å²	115	126.8 Å²	126.8	71%	0.706	74%	0.737	S	S	*	*				74	108.3	127.2	60	0	0	0	0	123.8
498	T	26.5	Very low	29.5	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	74%	0.743	S	S	*	*				57.8	115.8	113.5	-45.6	0	0	0	0	121.4
499	S	29.1	Very low	29.2	Very low	105 Å²	105	127.5 Å²	127.5	73%	0.734	74%	0.742	S	S	*	*				-174.6	132.3	124.6	38	0	0	0	0	116.8
500	L	30.9	Very low	29	Very low	165 Å²	165	127 Å²	127	86%	0.864	74%	0.744	S	S	*	*			trans	45.8	122.4	140.8	-77.1	80.7	0	0	0	123.6
501	S	25.7	Very low	28.9	Very low	106 Å²	106	124.4 Å²	124.4	74%	0.741	74%	0.74	S	S	*	*			trans	-66.5	-174.9	146.4	-30.2	0	0	0	0	111.8
502	P	35	Very low	28.9	Very low	118 Å²	118	123.7 Å²	123.7	77%	0.766	74%	0.742	S	S	*	*			cis	-148.6	-171.3	15.2	44.5	-23	0	0	0	118.4
503	S	26.9	Very low	29.1	Very low	98 Å²	98	120 Å²	120	69%	0.685	73%	0.733	S	S	*	*			trans	73.4	113.3	138	-172.4	0	0	0	0	123.3
504	S	32.3	Very low	29	Very low	115 Å²	115	119.8 Å²	119.8	80%	0.804	74%	0.736	S	S	*	*			trans	-173.6	119.3	133.2	47.2	0	0	0	0	108.8
505	T	26.2	Very low	29.3	Very low	110 Å²	110	118.1 Å²	118.1	68%	0.675	74%	0.736	S	S	*	*			cis	94.1	100.4	45.2	-58.6	0	0	0	0	113.6
506	S	30.8	Very low	29.6	Very low	120 Å²	120	119.6 Å²	119.6	84%	0.839	74%	0.74	S	S	*	*			trans	174.5	109.5	159.2	-77.4	0	0	0	0	107.2
507	T	25.6	Very low	29.8	Very low	111 Å²	111	120.5 Å²	120.5	68%	0.681	75%	0.745	S	S	*	*			cis	80.3	89.2	19.4	-43.1	0	0	0	0	115.8
508	I	30.9	Very low	30	Very low	171 Å²	171	121.5 Å²	121.5	88%	0.877	75%	0.746	S	S	*	*			trans	-136.4	147.3	139.3	-64.9	-171	0	0	0	107.4
509	T	25.8	Very low	30.3	Very low	110 Å²	110	124.4 Å²	124.4	68%	0.675	75%	0.75	S	S	*	*			trans	-149.2	141.1	-168.6	-54.1	0	0	0	0	111.6
510	T	29.9	Very low	30.4	Very low	125 Å²	125	124.3 Å²	124.3	77%	0.767	75%	0.75	S	S	*	*			trans	-149.3	98.8	159.9	-28.7	0	0	0	0	107.5
511	T	28	Very low	30.6	Very low	109 Å²	109	124.9 Å²	124.9	67%	0.669	75%	0.748	S	S	*	*				49.8	140.4	92.5	45.8	0	0	0	0	115.2
512	T	30.8	Very low	30.9	Very low	132 Å²	132	126.3 Å²	126.3	81%	0.81	75%	0.746	S	S	*	*			cis	-156.7	172.4	19.6	-12.4	0	0	0	0	108.6
513	A	31	Very low	30.5	Very low	73 Å²	73	130.4 Å²	130.4	60%	0.603	75%	0.747	S	S	*	*			cis	-160.6	174.7	7.7	0	0	0	0	0	113
514	T	31.3	Very low	30.5	Very low	120 Å²	120	134.6 Å²	134.6	74%	0.736	76%	0.756	S	S	*	*			trans	16.1	145.1	139.7	59.8	0	0	0	0	121.6
515	T	34.1	Very low	30.1	Very low	108 Å²	108	137.5 Å²	137.5	66%	0.663	76%	0.756	S	S	*	*			cis	-164.4	136.9	7.3	12.9	0	0	0	0	111.7
516	D	33.9	Very low	30.1	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	75%	0.753	S	S	*	*				37.4	133.8	126.5	-48.3	-17.6	0	0	0	123.7
517	D	32.8	Very low	29.9	Very low	156 Å²	156	138 Å²	138	83%	0.834	75%	0.751	S	S	*	*			trans	78.9	140.3	142.2	-65.8	-17.2	0	0	0	124.9
518	D	32.7	Very low	29.9	Very low	136 Å²	136	140.9 Å²	140.9	73%	0.727	75%	0.754	S	S	*	*			trans	42.4	112.5	166.4	-92.7	-31.3	0	0	0	121
519	H	33.9	Very low	29.7	Very low	188 Å²	188	137.6 Å²	137.6	87%	0.87	74%	0.744	S	S	*	*				-170.3	135.9	99	-90.9	-52.2	0	0	0	112
520	S	30.8	Very low	29.6	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	75%	0.747	S	S	*	*			trans	-93.7	125.7	174.1	58.7	0	0	0	0	112
521	E	35.1	Very low	29.4	Very low	177 Å²	177	136.7 Å²	136.7	83%	0.827	74%	0.738	S	S	*	*			trans	-167.5	149	151.2	-113.6	173.4	-148.2	0	0	114.5
522	I	31.7	Very low	29.2	Very low	135 Å²	135	138.2 Å²	138.2	69%	0.692	74%	0.742	S	S	*	*			trans	63.5	102.7	152.7	-58.2	161.5	0	0	0	119.8
523	Y	25.2	Very low	28.9	Very low	204 Å²	204	138.6 Å²	138.6	80%	0.8	74%	0.737	S	S	*	*			trans	12.7	118.6	137.8	-69.1	-93.9	0	0	0	120.5
524	Q	27.7	Very low	28.6	Very low	186 Å²	186	145.6 Å²	145.6	87%	0.869	75%	0.748	S	S	*	*				-157.6	111.4	118.6	-113.5	-179.6	39.5	0	0	112.2	S526	Q524-S526 PolarHBondContact O-N 2.83Å; Q524-S526 VanDerWaalsContact O-N 3.13Å
525	H	25	Very low	28.2	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.815	74%	0.742	S	S	*	*			trans	-78.9	93.2	170.5	-76.1	-75.4	0	0	0	110.4
526	S	25.4	Very low	27.8	Very low	87 Å²	87	144.9 Å²	144.9	61%	0.608	75%	0.745	S	S	*	*			trans	-132.8	69.6	165.2	-153.9	0	0	0	0	110.4	Q524 K528	Q524-S526 PolarHBondContact O-N 2.83Å; Q524-S526 VanDerWaalsContact O-N 3.13Å; S526-K528 PolarHBondContact O-N 3.23Å
527	I	26.6	Very low	27.2	Very low	154 Å²	154	142.4 Å²	142.4	79%	0.79	74%	0.738	S	S	*	*			trans	-73	78.3	168.6	-52.2	178.6	0	0	0	107.4	P529	I527-P529 WeakPolarHBondContact O-CD 3.31Å
528	K	24.4	Very low	26.8	Very low	171 Å²	171	140.6 Å²	140.6	74%	0.743	73%	0.728	S	S	*	*			trans	-74.1	107.5	152.1	-76.2	-177.1	176.2	179.8	0	106.3	S526 S530	S526-K528 PolarHBondContact O-N 3.23Å; K528-S530 PolarHBondContact O-N 2.86Å
529	P	27.2	Very low	26.5	Very low	103 Å²	103	139.3 Å²	139.3	67%	0.669	73%	0.725	S	S	*	*			trans	-63.7	96.6	151.3	29.7	-30.8	0	0	0	105.5	I527 L531	I527-P529 WeakPolarHBondContact O-CD 3.31Å; P529-L531 PolarHBondContact O-N 3.42Å
530	S	24.6	Very low	26.2	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	72%	0.715	S	S	*	*			trans	-63.6	91	163.5	54.3	0	0	0	0	105.9	K528 N532	K528-S530 PolarHBondContact O-N 2.86Å; S530-N532 PolarHBondContact O-N 3.47Å
531	L	24.8	Very low	26.1	Very low	109 Å²	109	138 Å²	138	57%	0.571	72%	0.715	S	S	*	*			trans	-62.4	86.6	169.9	-99	164.5	0	0	0	106.3	F280 P529 I533	F280-L531 HydrophobicContact CD1-CD2 4.07Å; F280-L531 HydrophobicContact CD2-CD2 4.37Å; F280-L531 HydrophobicContact CE1-CD2 3.82Å; F280-L531 HydrophobicContact CE2-CD2 4.14Å; F280-L531 HydrophobicContact CG-CD2 4.35Å; F280-L531 HydrophobicContact CZ-CD2 3.87Å; P529-L531 PolarHBondContact O-N 3.42Å; L531-I533 PolarHBondContact O-N 3.35Å
532	N	25	Very low	25.8	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	72%	0.719	S	S	*	*			trans	-70.4	77.7	172.4	-172.6	-7.4	0	0	0	105.3	S530 R534	S530-N532 PolarHBondContact O-N 3.47Å; N532-R534 PolarHBondContact O-N 2.9Å
533	I	24.2	Very low	25.5	Very low	140 Å²	140	137.7 Å²	137.7	72%	0.718	72%	0.718	S	S	*	*			trans	-60.3	88.1	162.9	-59.9	176.2	0	0	0	103.8	L531 A535	L531-I533 PolarHBondContact O-N 3.35Å; I533-A535 PolarHBondContact O-N 3.12Å
534	R	23.6	Very low	25.6	Very low	221 Å²	221	135 Å²	135	83%	0.834	72%	0.717	S	S	*	*			trans	-56.2	99.7	165.7	-171.5	-175.6	-149.5	-141	4.9	103.5	N532 I536	N532-R534 PolarHBondContact O-N 2.9Å; R534-I536 PolarHBondContact O-N 3.28Å
535	A	23.6	Very low	25.6	Very low	74 Å²	74	129.2 Å²	129.2	61%	0.612	70%	0.701	S	S	*	*			trans	-46	134.7	177.9	0	0	0	0	0	106.6	I533 S537	I533-A535 PolarHBondContact O-N 3.12Å; A535-S537 PolarHBondContact O-N 2.88Å
536	I	25	Very low	25.8	Very low	139 Å²	139	126.8 Å²	126.8	71%	0.713	69%	0.692	S	S	*	*			trans	-67.6	85.5	163.6	-60.1	179.4	0	0	0	103.8	R534 L538	R534-I536 PolarHBondContact O-N 3.28Å; I536-L538 HydrophobicContact CG2-CD2 4.47Å; I536-L538 PolarHBondContact O-N 3.07Å
537	S	22	Very low	26	Very low	84 Å²	84	126.2 Å²	126.2	59%	0.587	69%	0.687	S	S	*	*			trans	-62.4	98	164.7	-171.2	0	0	0	0	103.2	A535 T539	A535-S537 PolarHBondContact O-N 2.88Å; S537-T539 PolarHBondContact O-N 3.2Å; S537-T539 WeakPolarHBondContact OG-CG2 3.41Å
538	L	24.2	Very low	26.3	Very low	118 Å²	118	123.7 Å²	123.7	62%	0.618	67%	0.67	S	S	*	*			trans	-58.3	77.7	148.7	-64.6	172.7	0	0	0	105	I536 V540	I536-L538 HydrophobicContact CG2-CD2 4.47Å; I536-L538 PolarHBondContact O-N 3.07Å; L538-V540 PolarHBondContact O-N 2.86Å
539	T	26	Very low	26.7	Very low	109 Å²	109	116.9 Å²	116.9	67%	0.669	65%	0.649	S	S	*	*			trans	-62.7	91.4	159.1	46	0	0	0	0	104.1	S537 E541	S537-T539 PolarHBondContact O-N 3.2Å; S537-T539 WeakPolarHBondContact OG-CG2 3.41Å; T539-E541 PolarHBondContact O-N 3.46Å
540	V	28.4	Very low	27.3	Very low	108 Å²	108	118.4 Å²	118.4	66%	0.655	65%	0.651	S	S	*	*			trans	-63.8	83	167.5	-178.2	0	0	0	0	106	L538	L538-V540 PolarHBondContact O-N 2.86Å
541	E	29	Very low	28.5	Very low	155 Å²	155	115.3 Å²	115.3	72%	0.724	63%	0.626	S	S	*	*			trans	-48.8	148.2	132.8	-66.8	-168.1	147.1	0	0	107.1	T539 T543	T539-E541 PolarHBondContact O-N 3.46Å; E541-T543 PolarHBondContact O-N 3.46Å; E541-T543 PolarHBondContact O-OG1 3.16Å
542	E	27.4	Very low	29.5	Very low	195 Å²	195	116.3 Å²	116.3	91%	0.911	63%	0.625	S	S	*	*	S	Bend	trans	-75.2	34.7	-164.4	-61.4	173.5	116.6	0	0	113.8	L544	E542-L544 PolarHBondContact O-N 3.39Å
543	T	27.2	Very low	30.9	Very low	111 Å²	111	111 Å²	111	68%	0.681	60%	0.596	S	S	*	*			trans	-57.8	88.8	153.3	57.6	0	0	0	0	108.7	E541 A545	E541-T543 PolarHBondContact O-N 3.46Å; E541-T543 PolarHBondContact O-OG1 3.16Å; T543-A545 PolarHBondContact O-N 3.48Å
544	L	26.7	Very low	32.3	Very low	148 Å²	148	110.4 Å²	110.4	78%	0.775	59%	0.594	S	S	*	*			trans	-13.8	114.7	160.7	-145.5	74.9	0	0	0	111.4	E542 I546	E542-L544 PolarHBondContact O-N 3.39Å; L544-I546 PolarHBondContact O-N 2.76Å; L544-I546 VanDerWaalsContact O-N 3.14Å
545	A	28	Very low	34	Very low	64 Å²	64	103 Å²	103	53%	0.529	59%	0.587	S	S	.	*			trans	-49.3	126.9	173.2	0	0	0	0	0	108	T543 P547	T543-A545 PolarHBondContact O-N 3.48Å; A545-P547 WeakPolarHBondContact O-CD 3.32Å
546	I	29.7	Very low	35.7	Very low	125 Å²	125	108.8 Å²	108.8	64%	0.641	59%	0.592	S	S	*	*			trans	-50.9	110.1	-177.4	-57.4	174.2	0	0	0	106.4	R123 L544	R123-I546 HydrophobicContact CG-CD1 4.42Å; L544-I546 PolarHBondContact O-N 2.76Å; L544-I546 VanDerWaalsContact O-N 3.14Å
547	P	28	Very low	37.5	Very low	76 Å²	76	103.3 Å²	103.3	49%	0.494	57%	0.566	S	S	.	*			trans	-67	147.8	-176.5	27.5	-33.3	0	0	0	107.2	A545 G549	A545-P547 WeakPolarHBondContact O-CD 3.32Å; P547-G549 VanDerWaalsContact O-CA 3.27Å; P547-G549 WeakPolarHBondContact O-CA 3.46Å; P547-G549 PolarHBondContact O-N 3.3Å
548	F	34.2	Very low	39.7	Very low	100 Å²	100	100 Å²	100	44%	0.439	54%	0.541	S	S	.	.	S	Bend	trans	-66.9	80.8	164.3	-69.7	-77.8	0	0	0	107.1	R649	F548-R649 PolarHBondContact O-NH1 2.66Å
549	G	32.6	Very low	41.8	Very low	28 Å²	28	98.7 Å²	98.7	29%	0.289	53%	0.532	S	S	.	.			trans	-171.5	39.1	-134	0	0	0	0	0	116.4	P547	P547-G549 VanDerWaalsContact O-CA 3.27Å; P547-G549 WeakPolarHBondContact O-CA 3.46Å; P547-G549 PolarHBondContact O-N 3.3Å
550	L	40.2	Very low	43.7	Very low	136 Å²	136	97.2 Å²	97.2	71%	0.712	52%	0.519	S	S	*	.			trans	-163.6	48.8	135.7	-105.7	173.4	0	0	0	110.3	S126 K552	S126-L550 WeakPolarHBondContact CA-O 3.46Å; S126-L550 VanDerWaalsContact CB-O 3.28Å; S126-L550 WeakPolarHBondContact CB-O 3.39Å; L550-K552 PolarHBondContact O-N 3.21Å; L550-K552 VanDerWaalsContact O-N 3.09Å
551	N	48	Very low	45.7	Very low	40 Å²	40	92.1 Å²	92.1	21%	0.214	49%	0.489	C	S	.	.			trans	-75.9	94.6	177.3	-177.1	21.6	0	0	0	110	S126 L129 F553	S126-N551 CarbonylContact O-C 3.4Å; S126-N551 VanDerWaalsContact O-CA 3.28Å; S126-N551 WeakPolarHBondContact O-CA 3.43Å; S126-N551 PolarHBondContact O-OD1 2.68Å; L129-N551 WeakPolarHBondContact CB-ND2 3.44Å; L129-N551 WeakPolarHBondContact CD2-ND2 3.46Å; N551-F553 WeakPolarHBondContact ND2-CE2 3.34Å; N551-F553 PolarHBondContact O-N 2.92Å
552	K	47.5	Very low	47.5	Very low	130 Å²	130	88.3 Å²	88.3	57%	0.565	48%	0.476	S	S	*	.			trans	-81.6	101.3	175.5	-69.8	-174.7	179.2	-177.8	0	109.7	S126 L550	S126-K552 PolarHBondContact O-N 3.17Å; L550-K552 PolarHBondContact O-N 3.21Å; L550-K552 VanDerWaalsContact O-N 3.09Å
553	F	54.5	Low	49.2	Very low	31 Å²	31	81.4 Å²	81.4	14%	0.136	46%	0.457	C	S	.	.			trans	-86.5	137.5	156.8	-70.6	-85.7	0	0	0	109.9	L129 K130 L133 N551 G555 P557 Y558 V580	L129-F553 HydrophobicContact CB-CE2 4.5Å; L129-F553 HydrophobicContact CB-CZ 4.02Å; L129-F553 HydrophobicContact CD2-CE2 4.14Å; L129-F553 HydrophobicContact CD2-CZ 3.87Å; L129-F553 HydrophobicContact CG-CE2 4.45Å; L129-F553 HydrophobicContact CG-CZ 3.79Å; K130-F553 HydrophobicContact CB-CD1 3.64Å; K130-F553 HydrophobicContact CB-CE1 3.83Å; K130-F553 HydrophobicContact CD-CD1 4.43Å; K130-F553 HydrophobicContact CG-CD1 4.16Å; L133-F553 HydrophobicContact CD1-CE1 3.93Å; L133-F553 HydrophobicContact CD1-CZ 3.87Å; N551-F553 WeakPolarHBondContact ND2-CE2 3.34Å; N551-F553 PolarHBondContact O-N 2.92Å; F553-G555 PolarHBondContact O-N 2.76Å; F553-P557 HydrophobicContact CB-CB 3.82Å; F553-P557 HydrophobicContact CB-CG 3.8Å; F553-P557 HydrophobicContact CD1-CB 3.55Å; F553-P557 HydrophobicContact CD1-CG 4.31Å; F553-P557 HydrophobicContact CD2-CB 3.51Å; F553-P557 HydrophobicContact CD2-CG 3.4Å; F553-P557 VanDerWaalsContact CD2-CG 3.4Å; F553-P557 HydrophobicContact CE1-CB 3.75Å; F553-P557 HydrophobicContact CE2-CB 3.65Å; F553-P557 HydrophobicContact CE2-CG 3.8Å; F553-P557 HydrophobicContact CG-CB 3.4Å; F553-P557 HydrophobicContact CG-CG 3.64Å; F553-P557 HydrophobicContact CZ-CB 3.77Å; F553-P557 HydrophobicContact CZ-CG 4.42Å; F553-Y558 AromaticContact CE2-CE2 3.94Å; F553-Y558 HydrophobicContact CE2-CE2 3.94Å; F553-Y558 HydrophobicContact CZ-CE2 4.39Å; F553-V580 HydrophobicContact CD1-CG2 4.1Å; F553-V580 HydrophobicContact CE1-CG2 3.94Å
554	D	53.1	Low	51	Low	127 Å²	127	82.8 Å²	82.8	68%	0.679	46%	0.456	S	S	*	.	S	Bend	trans	-77.5	114.3	167.7	-47.5	-66.7	0	0	0	109	K130	K130-D554 IonicContact NZ-OD2 2.67Å; K130-D554 PolarHBondContact NZ-OD2 2.99Å
555	G	58.7	Low	52.7	Low	66 Å²	66	79.3 Å²	79.3	68%	0.68	43%	0.433	S	S	*	.	S	Bend	trans	91	-158.9	-176.5	0	0	0	0	0	113.6	F553 P557	F553-G555 PolarHBondContact O-N 2.76Å; G555-P557 VanDerWaalsContact O-CD 3.32Å; G555-P557 WeakPolarHBondContact O-CD 3.38Å
556	R	60.2	Low	54	Low	194 Å²	194	82.2 Å²	82.2	73%	0.732	44%	0.436	S	S	*	.			trans	-93	109.6	173.3	-68.7	-171.1	180	-145.7	-0.8	109.3	Y558 E559 S579	R556-Y558 VanDerWaalsContact C-N 3.27Å; R556-E559 HydrophobicContact CB-CG 4.12Å; R556-S579 PolarHBondContact O-OG 3.14Å
557	P	63.2	Low	55.4	Low	24 Å²	24	82.7 Å²	82.7	16%	0.156	44%	0.44	C	S	.	.	S	Bend	trans	-73.4	-22.6	176.8	30.1	-37.4	0	0	0	113.4	F553 G555 I578 S579	F553-P557 HydrophobicContact CB-CB 3.82Å; F553-P557 HydrophobicContact CB-CG 3.8Å; F553-P557 HydrophobicContact CD1-CB 3.55Å; F553-P557 HydrophobicContact CD1-CG 4.31Å; F553-P557 HydrophobicContact CD2-CB 3.51Å; F553-P557 HydrophobicContact CD2-CG 3.4Å; F553-P557 VanDerWaalsContact CD2-CG 3.4Å; F553-P557 HydrophobicContact CE1-CB 3.75Å; F553-P557 HydrophobicContact CE2-CB 3.65Å; F553-P557 HydrophobicContact CE2-CG 3.8Å; F553-P557 HydrophobicContact CG-CB 3.4Å; F553-P557 HydrophobicContact CG-CG 3.64Å; F553-P557 HydrophobicContact CZ-CB 3.77Å; F553-P557 HydrophobicContact CZ-CG 4.42Å; G555-P557 VanDerWaalsContact O-CD 3.32Å; G555-P557 WeakPolarHBondContact O-CD 3.38Å; P557-I578 WeakPolarHBondContact O-CA 3.17Å; P557-S579 WeakPolarHBondContact CA-OG 3.47Å; P557-S579 PolarHBondContact O-N 3.34Å; P557-S579 PolarHBondContact O-OG 2.76Å
558	Y	67.6	Low	56.8	Low	14 Å²	14	82.1 Å²	82.1	6%	0.055	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.7	-173.3	-54.8	-61	0	0	0	108.2	L129 F553 R556 V576 Y577 I578 V645 L646 L650	L129-Y558 WeakPolarHBondContact CD2-OH 3.29Å; F553-Y558 AromaticContact CE2-CE2 3.94Å; F553-Y558 HydrophobicContact CE2-CE2 3.94Å; F553-Y558 HydrophobicContact CZ-CE2 4.39Å; R556-Y558 VanDerWaalsContact C-N 3.27Å; Y558-V576 HydrophobicContact CD1-CG1 3.83Å; Y558-V576 HydrophobicContact CG-CG1 4.2Å; Y558-Y577 VanDerWaalsContact CA-O 3.3Å; Y558-Y577 WeakPolarHBondContact CA-O 3.14Å; Y558-I578 HydrophobicContact CD1-CG1 4.07Å; Y558-I578 HydrophobicContact CD1-CG2 4.43Å; Y558-I578 HydrophobicContact CE1-CG1 4.1Å; Y558-I578 HydrophobicContact CE1-CG2 4.08Å; Y558-V645 HydrophobicContact CE2-CG1 3.96Å; Y558-L646 HydrophobicContact CD1-CD2 4.04Å; Y558-L646 HydrophobicContact CD2-CD2 4.21Å; Y558-L646 HydrophobicContact CE1-CD2 4.37Å; Y558-L646 HydrophobicContact CG-CD2 3.96Å; Y558-L650 HydrophobicContact CD2-CD1 3.38Å; Y558-L650 HydrophobicContact CE2-CD1 4.07Å; Y558-L650 HydrophobicContact CG-CD1 4.04Å
559	E	66.9	Low	58	Low	92 Å²	92	78 Å²	78	43%	0.43	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.8	178.5	-59.2	-173.2	148.3	0	0	109.4	R556 C561 Y577	R556-E559 HydrophobicContact CB-CG 4.12Å; E559-C561 PolarHBondContact O-N 2.88Å; E559-Y577 PolarHBondContact N-O 3.17Å; E559-Y577 PolarHBondContact O-N 3.1Å
560	N	67.6	Low	59.2	Low	77 Å²	77	84.9 Å²	84.9	41%	0.412	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.6	177.4	-175.4	-5.2	0	0	0	108.9	T562 C575 W654	N560-T562 VanDerWaalsContact OD1-CB 3.25Å; N560-T562 WeakPolarHBondContact OD1-CB 3.3Å; N560-T562 PolarHBondContact OD1-N 2.8Å; N560-T562 PolarHBondContact OD1-OG1 3.41Å; N560-C575 PolarHBondContact OD1-O 3.4Å; N560-W654 VanDerWaalsContact CA-CH2 3.49Å; N560-W654 HydrophobicContact CB-CD2 4.22Å; N560-W654 HydrophobicContact CB-CE3 3.84Å; N560-W654 HydrophobicContact CB-CH2 3.82Å; N560-W654 HydrophobicContact CB-CZ2 4.18Å; N560-W654 HydrophobicContact CB-CZ3 3.62Å
561	C	70.1	Confident	60.1	Low	1 Å²	1	81.3 Å²	81.3	1%	0.007	41%	0.412	C	S	.	.			trans	-111.6	16.6	-179	56.6	0	0	0	0	113.8	E559 G563 Q564 Y565 C575 V576 Y577	E559-C561 PolarHBondContact O-N 2.88Å; C561-G563 PolarHBondContact O-N 3.47Å; C561-Q564 HydrophobicContact CB-CB 4.3Å; C561-Q564 WeakPolarHBondContact O-CB 3.43Å; C561-Q564 PolarHBondContact O-N 3.45Å; C561-Y565 HydrophobicContact CB-CD2 3.6Å; C561-Y565 HydrophobicContact CB-CE2 3.82Å; C561-Y565 PolarHBondContact O-N 3.12Å; C561-C575 HydrophobicContact CB-CB 4.13Å; C561-C575 WeakPolarHBondContact CB-SG 3.21Å; C561-C575 PolarHBondContact N-O 2.91Å; C561-C575 PolarHBondContact O-SG 2.93Å; C561-C575 VanDerWaalsContact O-SG 3.32Å; C561-C575 WeakPolarHBondContact SG-CB 3.02Å; C561-C575 PolarHBondContact SG-O 3.19Å; C561-C575 VanDerWaalsContact SG-O 3.37Å; C561-C575 CovalentContact SG-SG 2.05Å; C561-C575 PolarHBondContact SG-SG 3.46Å; C561-V576 PolarHBondContact SG-N 3.34Å; C561-V576 VanDerWaalsContact SG-N 3.38Å; C561-Y577 PolarHBondContact SG-N 2.76Å
562	T	66	Low	60.5	Low	76 Å²	76	80.5 Å²	80.5	47%	0.466	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	129.9	178.7	-50.1	0	0	0	0	108.4	N560 Q564 C575	N560-T562 VanDerWaalsContact OD1-CB 3.25Å; N560-T562 WeakPolarHBondContact OD1-CB 3.3Å; N560-T562 PolarHBondContact OD1-N 2.8Å; N560-T562 PolarHBondContact OD1-OG1 3.41Å; T562-Q564 PolarHBondContact O-N 3.44Å; T562-C575 PolarHBondContact OG1-N 3.49Å; T562-C575 VanDerWaalsContact OG1-N 3.15Å
563	G	63.1	Low	61.2	Low	50 Å²	50	78.6 Å²	78.6	52%	0.515	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-12	-169.8	0	0	0	0	0	116.2	C561	C561-G563 PolarHBondContact O-N 3.47Å
564	Q	65.8	Low	61.7	Low	139 Å²	139	78.4 Å²	78.4	65%	0.65	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-35.9	178.8	-60.4	-175.8	7.1	0	0	113.1	C561 T562	C561-Q564 HydrophobicContact CB-CB 4.3Å; C561-Q564 WeakPolarHBondContact O-CB 3.43Å; C561-Q564 PolarHBondContact O-N 3.45Å; T562-Q564 PolarHBondContact O-N 3.44Å
565	Y	61.5	Low	62.4	Low	75 Å²	75	72.5 Å²	72.5	29%	0.294	37%	0.373	S	S	.	.	S	Bend	trans	-122.4	53	176.3	-52.5	-77	0	0	0	111.5	C561 N567 Y568 C569 Y577 A584	C561-Y565 HydrophobicContact CB-CD2 3.6Å; C561-Y565 HydrophobicContact CB-CE2 3.82Å; C561-Y565 PolarHBondContact O-N 3.12Å; Y565-N567 VanDerWaalsContact C-N 3.25Å; Y565-N567 PolarHBondContact O-N 3.21Å; Y565-Y568 WeakPolarHBondContact O-CA 3.32Å; Y565-Y568 WeakPolarHBondContact O-CB 3.21Å; Y565-Y568 PolarHBondContact O-N 2.86Å; Y565-C569 PolarHBondContact O-N 3.31Å; Y565-Y577 AromaticContact CE2-CD2 3.68Å; Y565-Y577 HydrophobicContact CE2-CD2 3.68Å; Y565-Y577 HydrophobicContact CE2-CE2 4.28Å; Y565-Y577 HydrophobicContact CE2-CG 4.31Å; Y565-Y577 WeakPolarHBondContact OH-CE2 3.4Å; Y565-A584 HydrophobicContact CD2-CB 3.78Å; Y565-A584 HydrophobicContact CE2-CB 4.22Å; Y565-A584 HydrophobicContact CG-CB 4.38Å
566	E	56.2	Low	62.7	Low	126 Å²	126	69.4 Å²	69.4	59%	0.589	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-40.1	178.4	-61.1	-173.8	155.2	0	0	112.1	Y568 Y570	E566-Y568 PolarHBondContact O-N 2.9Å; E566-Y570 WeakPolarHBondContact O-CA 3.26Å; E566-Y570 PolarHBondContact O-N 3.48Å; E566-Y570 VanDerWaalsContact O-N 3.1Å
567	N	58	Low	63.1	Low	135 Å²	135	62.4 Å²	62.4	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.4	174.1	-59.8	-0	0	0	0	113.6	Y565	Y565-N567 VanDerWaalsContact C-N 3.25Å; Y565-N567 PolarHBondContact O-N 3.21Å
568	Y	57.2	Low	63.2	Low	64 Å²	64	61.5 Å²	61.5	25%	0.251	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-46.3	179.6	-171.7	-86.5	0	0	0	112	Y565 E566 A584 R596 F600	Y565-Y568 WeakPolarHBondContact O-CA 3.32Å; Y565-Y568 WeakPolarHBondContact O-CB 3.21Å; Y565-Y568 PolarHBondContact O-N 2.86Å; E566-Y568 PolarHBondContact O-N 2.9Å; Y568-A584 HydrophobicContact CD1-CB 3.74Å; Y568-A584 HydrophobicContact CE1-CB 3.89Å; Y568-A584 VanDerWaalsContact CE1-O 3.24Å; Y568-A584 WeakPolarHBondContact CE1-O 3.49Å; Y568-A584 PolarHBondContact OH-O 3.33Å; Y568-R596 VanDerWaalsContact CD2-CZ 3.46Å; Y568-R596 VanDerWaalsContact O-CD 3.29Å; Y568-R596 WeakPolarHBondContact O-CD 3.11Å; Y568-R596 PolarHBondContact O-NH1 3.11Å; Y568-F600 HydrophobicContact CE1-CE2 4.48Å
569	C	60.5	Low	63.2	Low	13 Å²	13	62.8 Å²	62.8	9%	0.088	32%	0.32	C	S	.	.	S	Bend	trans	-105.5	43.2	-178.9	-71.2	0	0	0	0	111.9	Y565 N571 A572 C575 C586	Y565-C569 PolarHBondContact O-N 3.31Å; C569-N571 PolarHBondContact O-N 3.35Å; C569-A572 HydrophobicContact CB-CB 3.75Å; C569-A572 VanDerWaalsContact O-CB 3.23Å; C569-A572 WeakPolarHBondContact O-CB 3.45Å; C569-A572 PolarHBondContact O-N 3.36Å; C569-C575 HydrophobicContact CB-CB 4.41Å; C569-C586 WeakPolarHBondContact CA-SG 3.35Å; C569-C586 HydrophobicContact CB-CB 3.76Å; C569-C586 WeakPolarHBondContact CB-SG 3.29Å; C569-C586 VanDerWaalsContact SG-CA 3.57Å; C569-C586 WeakPolarHBondContact SG-CB 3.43Å; C569-C586 CovalentContact SG-SG 2.04Å; C569-C586 PolarHBondContact SG-SG 2.87Å
570	Y	57.2	Low	62.9	Low	172 Å²	172	59.8 Å²	59.8	68%	0.675	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	128.6	178	-162.3	-114.4	0	0	0	110	E566	E566-Y570 WeakPolarHBondContact O-CA 3.26Å; E566-Y570 PolarHBondContact O-N 3.48Å; E566-Y570 VanDerWaalsContact O-N 3.1Å
571	N	58.7	Low	62.6	Low	61 Å²	61	57.2 Å²	57.2	33%	0.326	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	18.8	-170.9	-48.8	-66.3	0	0	0	117.2	C569 R589 Y592	C569-N571 PolarHBondContact O-N 3.35Å; N571-R589 PolarHBondContact O-N 2.96Å; N571-R589 VanDerWaalsContact O-N 3.16Å; N571-Y592 HydrophobicContact CB-CD1 3.34Å; N571-Y592 HydrophobicContact CB-CE1 3.45Å; N571-Y592 VanDerWaalsContact CB-CE1 3.45Å; N571-Y592 HydrophobicContact CB-CG 3.91Å; N571-Y592 VanDerWaalsContact CG-CD1 3.44Å; N571-Y592 VanDerWaalsContact OD1-CE1 3.3Å; N571-Y592 WeakPolarHBondContact OD1-CE1 3.16Å
572	A	57.6	Low	62.5	Low	23 Å²	23	61.8 Å²	61.8	19%	0.19	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.9	169.1	0	0	0	0	0	113.3	C569 C586 Y587	C569-A572 HydrophobicContact CB-CB 3.75Å; C569-A572 VanDerWaalsContact O-CB 3.23Å; C569-A572 WeakPolarHBondContact O-CB 3.45Å; C569-A572 PolarHBondContact O-N 3.36Å; A572-C586 HydrophobicContact CB-CB 4.17Å; A572-Y587 CarbonylContact C-O 3.53Å; A572-Y587 WeakPolarHBondContact CA-O 3.47Å
573	I	62.4	Low	62.3	Low	90 Å²	90	59.5 Å²	59.5	46%	0.462	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-46.7	164.3	-50.7	173.8	0	0	0	109.6	Y587 R589	I573-Y587 PolarHBondContact N-O 3.04Å; I573-R589 HydrophobicContact CD1-CG 4.29Å; I573-R589 HydrophobicContact CG1-CB 4.27Å; I573-R589 HydrophobicContact CG1-CG 3.49Å; I573-R589 VanDerWaalsContact CG1-CG 3.49Å
574	K	64.5	Low	62.2	Low	27 Å²	27	57.3 Å²	57.3	12%	0.117	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.7	-179.2	-56.5	-167.8	179.7	-174.2	0	111.2	Y587 L651 W654 D656	K574-Y587 PolarHBondContact O-N 3.17Å; K574-L651 HydrophobicContact CB-CD2 4.35Å; K574-L651 HydrophobicContact CD-CD2 4.07Å; K574-L651 PolarHBondContact NZ-O 3Å; K574-W654 PolarHBondContact NZ-O 3.06Å; K574-D656 WeakPolarHBondContact CE-OD1 3.38Å; K574-D656 IonicContact NZ-OD1 2.9Å; K574-D656 PolarHBondContact NZ-OD1 2.9Å
575	C	67.5	Low	62	Low	4 Å²	4	51 Å²	51	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.7	175.6	-178.9	0	0	0	0	110	N560 C561 T562 C569	N560-C575 PolarHBondContact OD1-O 3.4Å; C561-C575 HydrophobicContact CB-CB 4.13Å; C561-C575 WeakPolarHBondContact CB-SG 3.21Å; C561-C575 PolarHBondContact N-O 2.91Å; C561-C575 PolarHBondContact O-SG 2.93Å; C561-C575 VanDerWaalsContact O-SG 3.32Å; C561-C575 WeakPolarHBondContact SG-CB 3.02Å; C561-C575 PolarHBondContact SG-O 3.19Å; C561-C575 VanDerWaalsContact SG-O 3.37Å; C561-C575 CovalentContact SG-SG 2.05Å; C561-C575 PolarHBondContact SG-SG 3.46Å; T562-C575 PolarHBondContact OG1-N 3.49Å; T562-C575 VanDerWaalsContact OG1-N 3.15Å; C569-C575 HydrophobicContact CB-CB 4.41Å
576	V	64.8	Low	62	Low	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.5	176.9	-179.2	0	0	0	0	109.8	Y558 C561 I578 A584 A585 Y587 L646 W654	Y558-V576 HydrophobicContact CD1-CG1 3.83Å; Y558-V576 HydrophobicContact CG-CG1 4.2Å; C561-V576 PolarHBondContact SG-N 3.34Å; C561-V576 VanDerWaalsContact SG-N 3.38Å; V576-I578 HydrophobicContact CG1-CG1 4.47Å; V576-A584 CarbonylContact O-C 3.51Å; V576-A584 WeakPolarHBondContact O-CA 3.35Å; V576-A585 PolarHBondContact N-O 2.79Å; V576-A585 PolarHBondContact O-N 3Å; V576-Y587 HydrophobicContact CG2-CD2 4.22Å; V576-Y587 HydrophobicContact CG2-CE2 3.93Å; V576-L646 HydrophobicContact CB-CD1 4.45Å; V576-L646 HydrophobicContact CG1-CD1 4.17Å; V576-L646 HydrophobicContact CG1-CD2 3.77Å; V576-L646 HydrophobicContact CG2-CD1 4.32Å; V576-L646 HydrophobicContact CG2-CD2 4.13Å; V576-W654 HydrophobicContact CB-CH2 4.34Å; V576-W654 HydrophobicContact CB-CZ3 4.45Å; V576-W654 HydrophobicContact CG1-CH2 4.2Å; V576-W654 HydrophobicContact CG2-CH2 3.89Å; V576-W654 HydrophobicContact CG2-CZ3 3.69Å
577	Y	68.1	Low	62.3	Low	47 Å²	47	43.9 Å²	43.9	18%	0.184	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.7	171.7	-177.3	-110.2	0	0	0	110.1	Y558 E559 C561 Y565 E582	Y558-Y577 VanDerWaalsContact CA-O 3.3Å; Y558-Y577 WeakPolarHBondContact CA-O 3.14Å; E559-Y577 PolarHBondContact N-O 3.17Å; E559-Y577 PolarHBondContact O-N 3.1Å; C561-Y577 PolarHBondContact SG-N 2.76Å; Y565-Y577 AromaticContact CE2-CD2 3.68Å; Y565-Y577 HydrophobicContact CE2-CD2 3.68Å; Y565-Y577 HydrophobicContact CE2-CE2 4.28Å; Y565-Y577 HydrophobicContact CE2-CG 4.31Å; Y565-Y577 WeakPolarHBondContact OH-CE2 3.4Å; Y577-E582 WeakPolarHBondContact OH-CA 3.25Å
578	I	66.4	Low	62.4	Low	6 Å²	6	38.8 Å²	38.8	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	97.7	-179.2	-53.2	174.4	0	0	0	107.9	L133 P557 Y558 V576 V580 L581 E582 T583 A585 V642	L133-I578 HydrophobicContact CD1-CG2 4.12Å; P557-I578 WeakPolarHBondContact O-CA 3.17Å; Y558-I578 HydrophobicContact CD1-CG1 4.07Å; Y558-I578 HydrophobicContact CD1-CG2 4.43Å; Y558-I578 HydrophobicContact CE1-CG1 4.1Å; Y558-I578 HydrophobicContact CE1-CG2 4.08Å; V576-I578 HydrophobicContact CG1-CG1 4.47Å; I578-V580 PolarHBondContact O-N 2.96Å; I578-V580 VanDerWaalsContact O-N 3.14Å; I578-L581 HydrophobicContact CB-CB 4.28Å; I578-L581 HydrophobicContact CB-CD1 4.38Å; I578-L581 HydrophobicContact CB-CG 4.44Å; I578-L581 HydrophobicContact CD1-CD1 4.09Å; I578-L581 HydrophobicContact CG2-CB 4.1Å; I578-L581 HydrophobicContact CG2-CD1 4.02Å; I578-L581 HydrophobicContact CG2-CG 3.84Å; I578-L581 PolarHBondContact O-N 3.37Å; I578-E582 PolarHBondContact O-N 2.79Å; I578-T583 PolarHBondContact N-O 3.11Å; I578-A585 HydrophobicContact CD1-CB 3.93Å; I578-A585 HydrophobicContact CG1-CB 4.46Å; I578-V642 HydrophobicContact CD1-CG1 3.82Å
579	S	66.8	Low	62.4	Low	40 Å²	40	40.7 Å²	40.7	28%	0.28	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.1	-170.5	62.1	0	0	0	0	113.9	R556 P557	R556-S579 PolarHBondContact O-OG 3.14Å; P557-S579 WeakPolarHBondContact CA-OG 3.47Å; P557-S579 PolarHBondContact O-N 3.34Å; P557-S579 PolarHBondContact O-OG 2.76Å
580	V	62.1	Low	62.2	Low	29 Å²	29	46.9 Å²	46.9	18%	0.176	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-22.1	175.3	-171.2	0	0	0	0	112.9	L133 F553 I578	L133-V580 HydrophobicContact CB-CB 3.99Å; L133-V580 HydrophobicContact CB-CG1 3.61Å; L133-V580 HydrophobicContact CD1-CB 4.28Å; F553-V580 HydrophobicContact CD1-CG2 4.1Å; F553-V580 HydrophobicContact CE1-CG2 3.94Å; I578-V580 PolarHBondContact O-N 2.96Å; I578-V580 VanDerWaalsContact O-N 3.14Å
581	L	59.7	Low	61.8	Low	23 Å²	23	42.5 Å²	42.5	12%	0.12	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-18.6	178.4	-67	-176.3	0	0	0	113.7	L133 V136 R140 I578 T583	L133-L581 HydrophobicContact CB-CD2 3.98Å; L133-L581 HydrophobicContact CB-CG 4.35Å; L133-L581 HydrophobicContact CD2-CD1 3.85Å; L133-L581 HydrophobicContact CD2-CD2 3.96Å; L133-L581 HydrophobicContact CD2-CG 3.9Å; L133-L581 VanDerWaalsContact O-CD2 3.29Å; L133-L581 WeakPolarHBondContact O-CD2 3.4Å; V136-L581 HydrophobicContact CB-CD2 3.85Å; V136-L581 HydrophobicContact CG1-CD2 3.78Å; R140-L581 PolarHBondContact NH1-O 2.85Å; I578-L581 HydrophobicContact CB-CB 4.28Å; I578-L581 HydrophobicContact CB-CD1 4.38Å; I578-L581 HydrophobicContact CB-CG 4.44Å; I578-L581 HydrophobicContact CD1-CD1 4.09Å; I578-L581 HydrophobicContact CG2-CB 4.1Å; I578-L581 HydrophobicContact CG2-CD1 4.02Å; I578-L581 HydrophobicContact CG2-CG 3.84Å; I578-L581 PolarHBondContact O-N 3.37Å; L581-T583 VanDerWaalsContact C-N 3.35Å; L581-T583 HydrophobicContact CB-CG2 4.26Å; L581-T583 VanDerWaalsContact CB-OG1 3.26Å; L581-T583 WeakPolarHBondContact CB-OG1 3.26Å
582	E	68.2	Low	61.3	Low	98 Å²	98	44.6 Å²	44.6	46%	0.458	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	51.6	-167.7	-70.7	152.4	-151.4	0	0	111.1	K137 R140 Y577 I578	K137-E582 VanDerWaalsContact CE-OE2 3.32Å; K137-E582 WeakPolarHBondContact CE-OE2 3.19Å; K137-E582 IonicContact NZ-OE1 2.67Å; K137-E582 PolarHBondContact NZ-OE1 1.97Å; K137-E582 IonicContact NZ-OE2 2.7Å; K137-E582 PolarHBondContact NZ-OE2 2.49Å; R140-E582 PolarHBondContact NH1-O 3.14Å; Y577-E582 WeakPolarHBondContact OH-CA 3.25Å; I578-E582 PolarHBondContact O-N 2.79Å
583	T	61.3	Low	60.7	Low	28 Å²	28	48.9 Å²	48.9	17%	0.172	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.8	178.6	56	0	0	0	0	111.3	R140 I578 L581	R140-T583 VanDerWaalsContact NH1-CG2 3.26Å; I578-T583 PolarHBondContact N-O 3.11Å; L581-T583 VanDerWaalsContact C-N 3.35Å; L581-T583 HydrophobicContact CB-CG2 4.26Å; L581-T583 VanDerWaalsContact CB-OG1 3.26Å; L581-T583 WeakPolarHBondContact CB-OG1 3.26Å
584	A	61.7	Low	60.1	Low	4 Å²	4	46.3 Å²	46.3	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.1	158.8	0	0	0	0	0	111.1	Y565 Y568 V576	Y565-A584 HydrophobicContact CD2-CB 3.78Å; Y565-A584 HydrophobicContact CE2-CB 4.22Å; Y565-A584 HydrophobicContact CG-CB 4.38Å; Y568-A584 HydrophobicContact CD1-CB 3.74Å; Y568-A584 HydrophobicContact CE1-CB 3.89Å; Y568-A584 VanDerWaalsContact CE1-O 3.24Å; Y568-A584 WeakPolarHBondContact CE1-O 3.49Å; Y568-A584 PolarHBondContact OH-O 3.33Å; V576-A584 CarbonylContact O-C 3.51Å; V576-A584 WeakPolarHBondContact O-CA 3.35Å
585	A	62	Low	59.2	Low	7 Å²	7	48.6 Å²	48.6	6%	0.058	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.9	167.2	0	0	0	0	0	108.4	V576 I578	V576-A585 PolarHBondContact N-O 2.79Å; V576-A585 PolarHBondContact O-N 3Å; I578-A585 HydrophobicContact CD1-CB 3.93Å; I578-A585 HydrophobicContact CG1-CB 4.46Å
586	C	62.1	Low	58.2	Low	9 Å²	9	50.8 Å²	50.8	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.6	-166.7	-48.4	0	0	0	0	111.3	C569 A572 C588	C569-C586 WeakPolarHBondContact CA-SG 3.35Å; C569-C586 HydrophobicContact CB-CB 3.76Å; C569-C586 WeakPolarHBondContact CB-SG 3.29Å; C569-C586 VanDerWaalsContact SG-CA 3.57Å; C569-C586 WeakPolarHBondContact SG-CB 3.43Å; C569-C586 CovalentContact SG-SG 2.04Å; C569-C586 PolarHBondContact SG-SG 2.87Å; A572-C586 HydrophobicContact CB-CB 4.17Å; C586-C588 PolarHBondContact O-N 3.24Å
587	Y	61.2	Low	57.4	Low	41 Å²	41	51.5 Å²	51.5	16%	0.161	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	90.9	168.8	-76.9	-87.7	0	0	0	109.3	A572 I573 K574 V576 L646 L651	A572-Y587 CarbonylContact C-O 3.53Å; A572-Y587 WeakPolarHBondContact CA-O 3.47Å; I573-Y587 PolarHBondContact N-O 3.04Å; K574-Y587 PolarHBondContact O-N 3.17Å; V576-Y587 HydrophobicContact CG2-CD2 4.22Å; V576-Y587 HydrophobicContact CG2-CE2 3.93Å; Y587-L646 HydrophobicContact CE2-CB 4.49Å; Y587-L646 HydrophobicContact CE2-CD1 4.06Å; Y587-L646 WeakPolarHBondContact OH-CB 3.45Å; Y587-L646 WeakPolarHBondContact OH-CD1 3.41Å; Y587-L651 HydrophobicContact CD1-CD1 3.87Å; Y587-L651 HydrophobicContact CD1-CD2 4.44Å; Y587-L651 HydrophobicContact CD2-CD2 3.83Å; Y587-L651 HydrophobicContact CE1-CD1 3.49Å; Y587-L651 VanDerWaalsContact CE1-CD1 3.49Å; Y587-L651 HydrophobicContact CE1-CD2 4.44Å; Y587-L651 HydrophobicContact CE2-CD1 4.26Å; Y587-L651 HydrophobicContact CE2-CD2 3.84Å; Y587-L651 HydrophobicContact CG-CD1 4.41Å; Y587-L651 HydrophobicContact CG-CD2 4.15Å
588	C	60.2	Low	56.5	Low	29 Å²	29	51.1 Å²	51.1	20%	0.196	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.3	-175.5	-63.5	0	0	0	0	113.4	C586 C597	C586-C588 PolarHBondContact O-N 3.24Å; C588-C597 HydrophobicContact CB-CB 3.61Å; C588-C597 WeakPolarHBondContact CB-SG 3.4Å; C588-C597 WeakPolarHBondContact SG-CA 2.58Å; C588-C597 WeakPolarHBondContact SG-CB 3.3Å; C588-C597 CovalentContact SG-SG 2.03Å; C588-C597 PolarHBondContact SG-SG 3.06Å
589	R	58.2	Low	55.5	Low	104 Å²	104	53 Å²	53	39%	0.392	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-59	137.7	171.7	-78.6	177.4	-177.2	-153.6	-4.7	109.8	N571 I573 G591 Y592 F660	N571-R589 PolarHBondContact O-N 2.96Å; N571-R589 VanDerWaalsContact O-N 3.16Å; I573-R589 HydrophobicContact CD1-CG 4.29Å; I573-R589 HydrophobicContact CG1-CB 4.27Å; I573-R589 HydrophobicContact CG1-CG 3.49Å; I573-R589 VanDerWaalsContact CG1-CG 3.49Å; R589-G591 PolarHBondContact O-N 3.24Å; R589-Y592 HydrophobicContact CB-CD2 3.34Å; R589-Y592 HydrophobicContact CB-CE2 3.57Å; R589-Y592 HydrophobicContact CB-CG 4.25Å; R589-Y592 HydrophobicContact CG-CE2 4.41Å; R589-Y592 WeakPolarHBondContact O-CB 3.14Å; R589-Y592 PolarHBondContact O-N 2.76Å; R589-F660 PolarHBondContact NH2-O 2.87Å
590	T	55.4	Low	54.7	Low	142 Å²	142	53.3 Å²	53.3	87%	0.871	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	122.5	179.4	49	0	0	0	0	110.8
591	G	49.3	Very low	53.9	Low	81 Å²	81	55.1 Å²	55.1	84%	0.835	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-4.3	-175.7	0	0	0	0	0	115	R589	R589-G591 PolarHBondContact O-N 3.24Å
592	Y	48.5	Very low	53.1	Low	104 Å²	104	56 Å²	56	41%	0.408	32%	0.318	S	S	.	.			trans	-90.8	127.2	170.6	-74.1	-102.9	0	0	0	111.3	N571 R589	N571-Y592 HydrophobicContact CB-CD1 3.34Å; N571-Y592 HydrophobicContact CB-CE1 3.45Å; N571-Y592 VanDerWaalsContact CB-CE1 3.45Å; N571-Y592 HydrophobicContact CB-CG 3.91Å; N571-Y592 VanDerWaalsContact CG-CD1 3.44Å; N571-Y592 VanDerWaalsContact OD1-CE1 3.3Å; N571-Y592 WeakPolarHBondContact OD1-CE1 3.16Å; R589-Y592 HydrophobicContact CB-CD2 3.34Å; R589-Y592 HydrophobicContact CB-CE2 3.57Å; R589-Y592 HydrophobicContact CB-CG 4.25Å; R589-Y592 HydrophobicContact CG-CE2 4.41Å; R589-Y592 WeakPolarHBondContact O-CB 3.14Å; R589-Y592 PolarHBondContact O-N 2.76Å
593	T	44.2	Very low	51.9	Low	114 Å²	114	54.6 Å²	54.6	70%	0.699	32%	0.317	S	S	*	.			trans	-107.6	171.8	174.8	53.5	0	0	0	0	110.8
594	G	49.9	Very low	51.3	Low	35 Å²	35	57 Å²	57	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	132.9	147.2	-177.1	0	0	0	0	0	109.9	R596 C597 D598	G594-R596 CarbonylContact O-C 3.5Å; G594-R596 PolarHBondContact O-N 3.35Å; G594-C597 WeakPolarHBondContact O-CA 3.46Å; G594-C597 PolarHBondContact O-N 3.45Å; G594-D598 PolarHBondContact N-OD2 2.82Å; G594-D598 PolarHBondContact O-N 3.21Å
595	V	45.6	Very low	50.7	Low	76 Å²	76	57 Å²	57	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-42.8	-43.2	-164.3	-178.4	0	0	0	0	114	M599	V595-M599 HydrophobicContact CG1-CG 4.44Å; V595-M599 HydrophobicContact CG1-SD 3.61Å; V595-M599 WeakPolarHBondContact O-CB 3.47Å; V595-M599 WeakPolarHBondContact O-CG 3.34Å; V595-M599 PolarHBondContact O-N 3.25Å
596	R	47.6	Very low	49.9	Very low	49 Å²	49	58.7 Å²	58.7	19%	0.185	33%	0.334	C	S	.	.	H	α-helix	trans	-71.5	-50	176.8	-68.3	176.9	-174	136.4	9	113.4	A240 Y568 G594 D598 M599 F600	A240-R596 PolarHBondContact O-NH1 2.67Å; A240-R596 VanDerWaalsContact O-NH1 3.13Å; A240-R596 PolarHBondContact O-NH2 2.75Å; Y568-R596 VanDerWaalsContact CD2-CZ 3.46Å; Y568-R596 VanDerWaalsContact O-CD 3.29Å; Y568-R596 WeakPolarHBondContact O-CD 3.11Å; Y568-R596 PolarHBondContact O-NH1 3.11Å; G594-R596 CarbonylContact O-C 3.5Å; G594-R596 PolarHBondContact O-N 3.35Å; R596-D598 PolarHBondContact O-N 3.44Å; R596-M599 PolarHBondContact O-N 2.89Å; R596-F600 HydrophobicContact CB-CD2 4.16Å; R596-F600 HydrophobicContact CB-CE2 3.95Å; R596-F600 HydrophobicContact CG-CE2 4.29Å; R596-F600 WeakPolarHBondContact O-CB 3.22Å; R596-F600 WeakPolarHBondContact O-CD2 3.45Å; R596-F600 WeakPolarHBondContact O-CG 3.45Å; R596-F600 PolarHBondContact O-N 3.21Å
597	C	47.5	Very low	49.2	Very low	16 Å²	16	62.1 Å²	62.1	11%	0.108	35%	0.351	C	S	.	.	H	α-helix	trans	-58.7	-38.8	177.8	-64.2	0	0	0	0	112	C588 G594 N601	C588-C597 HydrophobicContact CB-CB 3.61Å; C588-C597 WeakPolarHBondContact CB-SG 3.4Å; C588-C597 WeakPolarHBondContact SG-CA 2.58Å; C588-C597 WeakPolarHBondContact SG-CB 3.3Å; C588-C597 CovalentContact SG-SG 2.03Å; C588-C597 PolarHBondContact SG-SG 3.06Å; G594-C597 WeakPolarHBondContact O-CA 3.46Å; G594-C597 PolarHBondContact O-N 3.45Å; C597-N601 WeakPolarHBondContact O-CB 3.49Å; C597-N601 PolarHBondContact O-N 3.28Å
598	D	47.8	Very low	48.6	Very low	39 Å²	39	63.4 Å²	63.4	21%	0.209	36%	0.36	C	S	.	.	H	α-helix	trans	-69.9	-52.5	175.9	-71.2	-55.6	0	0	0	111.8	G594 R596 F600 N601 Q604	G594-D598 PolarHBondContact N-OD2 2.82Å; G594-D598 PolarHBondContact O-N 3.21Å; R596-D598 PolarHBondContact O-N 3.44Å; D598-F600 VanDerWaalsContact C-N 3.28Å; D598-F600 PolarHBondContact O-N 2.73Å; D598-N601 WeakPolarHBondContact O-CB 3.21Å; D598-N601 PolarHBondContact O-N 2.91Å; D598-Q604 VanDerWaalsContact O-CD 3.27Å; D598-Q604 PolarHBondContact O-OE1 3.38Å; D598-Q604 VanDerWaalsContact O-OE1 3.06Å; D598-Q604 PolarHBondContact OD1-NE2 3.15Å
599	M	47	Very low	48	Very low	44 Å²	44	62.9 Å²	62.9	22%	0.217	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-28.3	179.6	-78	174.2	61	0	0	114.7	Y155 V595 R596 R639	Y155-M599 HydrophobicContact CD1-CE 4.2Å; Y155-M599 HydrophobicContact CE1-CE 3.44Å; Y155-M599 VanDerWaalsContact CE1-CE 3.44Å; Y155-M599 HydrophobicContact CE1-SD 4.21Å; V595-M599 HydrophobicContact CG1-CG 4.44Å; V595-M599 HydrophobicContact CG1-SD 3.61Å; V595-M599 WeakPolarHBondContact O-CB 3.47Å; V595-M599 WeakPolarHBondContact O-CG 3.34Å; V595-M599 PolarHBondContact O-N 3.25Å; R596-M599 PolarHBondContact O-N 2.89Å; M599-R639 PolarHBondContact O-NH1 2.97Å
600	F	48.7	Very low	47.5	Very low	47 Å²	47	63.6 Å²	63.6	21%	0.206	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.6	176.2	-60.5	-48.6	0	0	0	113.4	Y568 R596 D598 L602 N643	Y568-F600 HydrophobicContact CE1-CE2 4.48Å; R596-F600 HydrophobicContact CB-CD2 4.16Å; R596-F600 HydrophobicContact CB-CE2 3.95Å; R596-F600 HydrophobicContact CG-CE2 4.29Å; R596-F600 WeakPolarHBondContact O-CB 3.22Å; R596-F600 WeakPolarHBondContact O-CD2 3.45Å; R596-F600 WeakPolarHBondContact O-CG 3.45Å; R596-F600 PolarHBondContact O-N 3.21Å; D598-F600 VanDerWaalsContact C-N 3.28Å; D598-F600 PolarHBondContact O-N 2.73Å; F600-L602 PolarHBondContact O-N 2.76Å; F600-N643 PolarHBondContact O-ND2 2.86Å; F600-N643 VanDerWaalsContact O-ND2 3.12Å
601	N	46.8	Very low	47	Very low	67 Å²	67	60.6 Å²	60.6	36%	0.358	35%	0.346	S	S	.	.			trans	-65.8	126.2	-173.5	-142.5	-14	0	0	0	111	C597 D598 P603 Q604 T605	C597-N601 WeakPolarHBondContact O-CB 3.49Å; C597-N601 PolarHBondContact O-N 3.28Å; D598-N601 WeakPolarHBondContact O-CB 3.21Å; D598-N601 PolarHBondContact O-N 2.91Å; N601-P603 WeakPolarHBondContact OD1-CD 3.32Å; N601-Q604 HydrophobicContact CB-CB 4.2Å; N601-Q604 HydrophobicContact CB-CG 4.15Å; N601-Q604 PolarHBondContact O-N 3.01Å; N601-Q604 VanDerWaalsContact O-N 3.14Å; N601-T605 PolarHBondContact O-N 3.37Å; N601-T605 PolarHBondContact O-OG1 2.9Å
602	L	41	Very low	46.6	Very low	43 Å²	43	58.5 Å²	58.5	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-41	178.8	-174.3	67.1	0	0	0	112.3	F600 T605 L606 Y640 N643	F600-L602 PolarHBondContact O-N 2.76Å; L602-T605 PolarHBondContact O-N 2.98Å; L602-L606 HydrophobicContact CD1-CD1 4.43Å; L602-L606 HydrophobicContact CD1-CG 4.39Å; L602-L606 HydrophobicContact CG-CD1 3.96Å; L602-L606 HydrophobicContact CG-CG 4.36Å; L602-L606 VanDerWaalsContact O-CB 3.32Å; L602-L606 WeakPolarHBondContact O-CB 3.37Å; L602-L606 VanDerWaalsContact O-CG 3.24Å; L602-L606 WeakPolarHBondContact O-CG 3.42Å; L602-L606 PolarHBondContact O-N 3.41Å; L602-Y640 HydrophobicContact CD1-CD2 3.99Å; L602-Y640 HydrophobicContact CD1-CE2 4.4Å; L602-N643 HydrophobicContact CD1-CB 4.31Å
603	P	43.1	Very low	46.4	Very low	68 Å²	68	62.6 Å²	62.6	44%	0.442	33%	0.329	S	S	.	.	H	α-helix	trans	-57.9	-45.3	171.1	-24.9	36.5	0	0	0	113.3	N601 T605 L606 D607	N601-P603 WeakPolarHBondContact OD1-CD 3.32Å; P603-T605 PolarHBondContact O-N 2.85Å; P603-L606 CarbonylContact O-C 3.53Å; P603-L606 PolarHBondContact O-N 3.03Å; P603-D607 VanDerWaalsContact O-CB 3.26Å; P603-D607 WeakPolarHBondContact O-CB 3.48Å; P603-D607 PolarHBondContact O-N 2.05Å
604	Q	49.7	Very low	46.1	Very low	78 Å²	78	64.1 Å²	64.1	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-38.9	178.6	-69	-170.2	25.4	0	0	112.1	D598 N601 L606 D607 I608	D598-Q604 VanDerWaalsContact O-CD 3.27Å; D598-Q604 PolarHBondContact O-OE1 3.38Å; D598-Q604 VanDerWaalsContact O-OE1 3.06Å; D598-Q604 PolarHBondContact OD1-NE2 3.15Å; N601-Q604 HydrophobicContact CB-CB 4.2Å; N601-Q604 HydrophobicContact CB-CG 4.15Å; N601-Q604 PolarHBondContact O-N 3.01Å; N601-Q604 VanDerWaalsContact O-N 3.14Å; Q604-L606 VanDerWaalsContact C-N 3.35Å; Q604-D607 PolarHBondContact O-N 3.25Å; Q604-I608 WeakPolarHBondContact O-CB 3.42Å; Q604-I608 VanDerWaalsContact O-CG1 3.29Å; Q604-I608 WeakPolarHBondContact O-CG1 3.41Å; Q604-I608 PolarHBondContact O-N 3.14Å
605	T	48.8	Very low	45.6	Very low	3 Å²	3	68.6 Å²	68.6	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-43.1	173.4	-56.5	0	0	0	0	111	N601 L602 P603 L609 A636 R639	N601-T605 PolarHBondContact O-N 3.37Å; N601-T605 PolarHBondContact O-OG1 2.9Å; L602-T605 PolarHBondContact O-N 2.98Å; P603-T605 PolarHBondContact O-N 2.85Å; T605-L609 HydrophobicContact CG2-CD1 4.38Å; T605-L609 VanDerWaalsContact O-CG 3.28Å; T605-L609 WeakPolarHBondContact O-CG 3.26Å; T605-L609 PolarHBondContact O-N 2.7Å; T605-L609 VanDerWaalsContact O-N 3.08Å; T605-A636 HydrophobicContact CG2-CB 4.1Å; T605-A636 WeakPolarHBondContact CG2-O 3.43Å; T605-R639 HydrophobicContact CG2-CB 4.25Å
606	L	44.9	Very low	45.3	Very low	44 Å²	44	67 Å²	67	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-33.4	174.5	-72.3	171.7	0	0	0	112.6	L602 P603 Q604 L609 K610 Y640	L602-L606 HydrophobicContact CD1-CD1 4.43Å; L602-L606 HydrophobicContact CD1-CG 4.39Å; L602-L606 HydrophobicContact CG-CD1 3.96Å; L602-L606 HydrophobicContact CG-CG 4.36Å; L602-L606 VanDerWaalsContact O-CB 3.32Å; L602-L606 WeakPolarHBondContact O-CB 3.37Å; L602-L606 VanDerWaalsContact O-CG 3.24Å; L602-L606 WeakPolarHBondContact O-CG 3.42Å; L602-L606 PolarHBondContact O-N 3.41Å; P603-L606 CarbonylContact O-C 3.53Å; P603-L606 PolarHBondContact O-N 3.03Å; Q604-L606 VanDerWaalsContact C-N 3.35Å; L606-L609 CarbonylContact O-C 3.49Å; L606-L609 PolarHBondContact O-N 3.01Å; L606-K610 WeakPolarHBondContact O-CB 3.44Å; L606-K610 WeakPolarHBondContact O-CG 3.16Å; L606-K610 PolarHBondContact O-N 3.33Å; L606-Y640 HydrophobicContact CD2-CD2 4.28Å; L606-Y640 HydrophobicContact CD2-CE2 4.28Å
607	D	48.4	Very low	44.9	Very low	80 Å²	80	65.3 Å²	65.3	43%	0.428	33%	0.326	S	S	.	.	H	α-helix	trans	-76.9	-33.3	-180	-70.7	-23.1	0	0	0	111.4	P603 Q604 K610 S611	P603-D607 VanDerWaalsContact O-CB 3.26Å; P603-D607 WeakPolarHBondContact O-CB 3.48Å; P603-D607 PolarHBondContact O-N 2.05Å; Q604-D607 PolarHBondContact O-N 3.25Å; D607-K610 PolarHBondContact O-N 3.08Å; D607-K610 WeakPolarHBondContact OD1-CD 3.25Å; D607-K610 WeakPolarHBondContact OD1-CE 3.26Å; D607-K610 IonicContact OD1-NZ 3.28Å; D607-K610 PolarHBondContact OD1-NZ 2.79Å; D607-S611 WeakPolarHBondContact O-CB 3.3Å; D607-S611 PolarHBondContact O-N 3.16Å; D607-S611 PolarHBondContact O-OG 2.98Å
608	I	48.4	Very low	44.5	Very low	68 Å²	68	66.9 Å²	66.9	35%	0.349	33%	0.334	S	S	.	.	H	α-helix	trans	-57.1	-53.2	162.9	-71.4	164.5	0	0	0	109.2	Q604 K610 S611 F612 A636	Q604-I608 WeakPolarHBondContact O-CB 3.42Å; Q604-I608 VanDerWaalsContact O-CG1 3.29Å; Q604-I608 WeakPolarHBondContact O-CG1 3.41Å; Q604-I608 PolarHBondContact O-N 3.14Å; I608-K610 VanDerWaalsContact C-N 3.3Å; I608-K610 PolarHBondContact O-N 2.81Å; I608-S611 WeakPolarHBondContact CA-OG 3.42Å; I608-S611 PolarHBondContact O-N 3.07Å; I608-S611 VanDerWaalsContact O-N 3.14Å; I608-S611 PolarHBondContact O-OG 3.3Å; I608-F612 HydrophobicContact CG2-CD2 3.95Å; I608-F612 HydrophobicContact CG2-CE2 3.46Å; I608-F612 VanDerWaalsContact CG2-CE2 3.46Å; I608-F612 HydrophobicContact CG2-CZ 4.37Å; I608-F612 VanDerWaalsContact O-CD2 3.27Å; I608-F612 WeakPolarHBondContact O-CD2 3.29Å; I608-F612 PolarHBondContact O-N 2.91Å; I608-A636 HydrophobicContact CG2-CB 4.22Å
609	L	47.7	Very low	44	Very low	18 Å²	18	68.2 Å²	68.2	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-27.1	178.9	-67.9	167.3	0	0	0	114.4	T605 L606 A636	T605-L609 HydrophobicContact CG2-CD1 4.38Å; T605-L609 VanDerWaalsContact O-CG 3.28Å; T605-L609 WeakPolarHBondContact O-CG 3.26Å; T605-L609 PolarHBondContact O-N 2.7Å; T605-L609 VanDerWaalsContact O-N 3.08Å; L606-L609 CarbonylContact O-C 3.49Å; L606-L609 PolarHBondContact O-N 3.01Å; L609-A636 HydrophobicContact CD1-CB 4.49Å; L609-A636 HydrophobicContact CD2-CB 4.04Å; L609-A636 HydrophobicContact CG-CB 4.1Å
610	K	47.8	Very low	43.4	Very low	119 Å²	119	71.6 Å²	71.6	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-82.5	-29.7	172.6	-70.7	165.4	-146.9	158.9	0	113.6	L606 D607 I608	L606-K610 WeakPolarHBondContact O-CB 3.44Å; L606-K610 WeakPolarHBondContact O-CG 3.16Å; L606-K610 PolarHBondContact O-N 3.33Å; D607-K610 PolarHBondContact O-N 3.08Å; D607-K610 WeakPolarHBondContact OD1-CD 3.25Å; D607-K610 WeakPolarHBondContact OD1-CE 3.26Å; D607-K610 IonicContact OD1-NZ 3.28Å; D607-K610 PolarHBondContact OD1-NZ 2.79Å; I608-K610 VanDerWaalsContact C-N 3.3Å; I608-K610 PolarHBondContact O-N 2.81Å
611	S	45.3	Very low	42.9	Very low	79 Å²	79	72 Å²	72	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-80.2	-21.3	179.6	70.8	0	0	0	0	112.5	D607 I608 R613	D607-S611 WeakPolarHBondContact O-CB 3.3Å; D607-S611 PolarHBondContact O-N 3.16Å; D607-S611 PolarHBondContact O-OG 2.98Å; I608-S611 WeakPolarHBondContact CA-OG 3.42Å; I608-S611 PolarHBondContact O-N 3.07Å; I608-S611 VanDerWaalsContact O-N 3.14Å; I608-S611 PolarHBondContact O-OG 3.3Å; S611-R613 VanDerWaalsContact C-N 3.26Å; S611-R613 PolarHBondContact O-N 3.06Å
612	F	41	Very low	42.7	Very low	37 Å²	37	71.6 Å²	71.6	16%	0.162	37%	0.365	C	S	.	.			trans	-66.4	84.3	166	-79.3	-53.7	0	0	0	111.4	V288 I608 I629 N632 V633	V288-F612 HydrophobicContact CG1-CB 4.26Å; I608-F612 HydrophobicContact CG2-CD2 3.95Å; I608-F612 HydrophobicContact CG2-CE2 3.46Å; I608-F612 VanDerWaalsContact CG2-CE2 3.46Å; I608-F612 HydrophobicContact CG2-CZ 4.37Å; I608-F612 VanDerWaalsContact O-CD2 3.27Å; I608-F612 WeakPolarHBondContact O-CD2 3.29Å; I608-F612 PolarHBondContact O-N 2.91Å; F612-I629 HydrophobicContact CD1-CG2 4.06Å; F612-I629 HydrophobicContact CE1-CB 4.25Å; F612-I629 HydrophobicContact CE1-CG1 4.24Å; F612-I629 HydrophobicContact CE1-CG2 3.7Å; F612-I629 HydrophobicContact CZ-CG2 4.48Å; F612-N632 HydrophobicContact CE2-CB 3.98Å; F612-N632 HydrophobicContact CZ-CB 3.63Å; F612-V633 HydrophobicContact CD1-CG2 4.48Å; F612-V633 HydrophobicContact CD2-CG2 3.59Å; F612-V633 HydrophobicContact CE2-CG2 3.59Å; F612-V633 HydrophobicContact CG-CG2 4.07Å; F612-V633 HydrophobicContact CZ-CG2 4.11Å
613	R	42.9	Very low	42.7	Very low	190 Å²	190	76.4 Å²	76.4	72%	0.717	39%	0.386	S	S	*	.			trans	-102.7	121.1	174.8	-63	-174.9	179.8	-160.7	1.2	110.5	S611 E615	S611-R613 VanDerWaalsContact C-N 3.26Å; S611-R613 PolarHBondContact O-N 3.06Å; R613-E615 PolarHBondContact O-N 3.35Å
614	E	39.1	Very low	42.6	Very low	147 Å²	147	79.8 Å²	79.8	69%	0.687	40%	0.396	S	S	*	.	S	Bend	trans	59.2	6.8	145.7	-58.4	175.7	-176.5	0	0	118.8	A289 S616	A289-E614 HydrophobicContact CB-CG 3.92Å; E614-S616 PolarHBondContact O-N 2.93Å
615	E	39.3	Very low	42.3	Very low	128 Å²	128	79.9 Å²	79.9	60%	0.598	40%	0.404	S	S	*	.			trans	-74.7	113.8	173.1	-74.5	-148.9	149.5	0	0	112.7	R613 I617 I629	R613-E615 PolarHBondContact O-N 3.35Å; E615-I617 PolarHBondContact O-N 2.94Å; E615-I629 WeakPolarHBondContact OE2-CD1 3.13Å
616	S	38.9	Very low	41.9	Very low	44 Å²	44	80.9 Å²	80.9	31%	0.308	41%	0.41	S	S	.	.			trans	-74.3	109.1	171.9	51.5	0	0	0	0	111.8	K285 E614 D618	K285-S616 PolarHBondContact NZ-OG 3.26Å; E614-S616 PolarHBondContact O-N 2.93Å; S616-D618 PolarHBondContact O-N 3.36Å
617	I	39.6	Very low	41.6	Very low	12 Å²	12	79.3 Å²	79.3	6%	0.062	40%	0.403	C	S	.	.			trans	-81.1	106	176.5	-64.3	-179.9	0	0	0	110.2	I286 E615 I619 L622 T626 I629 L630	I286-I617 HydrophobicContact CD1-CB 4.24Å; E615-I617 PolarHBondContact O-N 2.94Å; I617-I619 HydrophobicContact CG2-CG1 4.48Å; I617-L622 HydrophobicContact CG2-CD1 3.53Å; I617-T626 HydrophobicContact CB-CG2 4.02Å; I617-T626 HydrophobicContact CD1-CG2 4.3Å; I617-T626 HydrophobicContact CG1-CG2 3.74Å; I617-T626 HydrophobicContact CG2-CG2 3.61Å; I617-I629 HydrophobicContact CD1-CB 4.42Å; I617-I629 HydrophobicContact CD1-CG2 3.89Å; I617-L630 HydrophobicContact CD1-CB 4.46Å
618	D	38.5	Very low	41.4	Very low	50 Å²	50	80.4 Å²	80.4	27%	0.267	40%	0.402	S	S	.	.			trans	-75.1	122.3	161.2	170.9	19	0	0	0	109.1	S616 N620 S621 L622	S616-D618 PolarHBondContact O-N 3.36Å; D618-N620 VanDerWaalsContact C-N 3.29Å; D618-N620 PolarHBondContact O-N 2.79Å; D618-N620 WeakPolarHBondContact OD1-CB 3.42Å; D618-N620 PolarHBondContact OD1-N 2.94Å; D618-S621 WeakPolarHBondContact CB-OG 3.16Å; D618-S621 CarbonylContact O-C 3.46Å; D618-S621 PolarHBondContact O-N 3.08Å; D618-S621 PolarHBondContact O-OG 2.82Å; D618-S621 WeakPolarHBondContact OD2-CB 3.34Å; D618-S621 PolarHBondContact OD2-N 2.9Å; D618-L622 PolarHBondContact O-N 2.78Å
619	I	36.4	Very low	41.1	Very low	67 Å²	67	78.4 Å²	78.4	34%	0.344	39%	0.391	S	S	.	.	S	Bend	trans	-75.1	-20.9	-176.7	-58.1	-165.4	0	0	0	111.5	I107 V111 I617 L622	I107-I619 HydrophobicContact CG2-CB 4.31Å; I107-I619 HydrophobicContact CG2-CD1 3.97Å; I107-I619 HydrophobicContact CG2-CG1 4.06Å; V111-I619 HydrophobicContact CG2-CD1 3.59Å; I617-I619 HydrophobicContact CG2-CG1 4.48Å; I619-L622 WeakPolarHBondContact O-CB 3.37Å
620	N	35.6	Very low	40.8	Very low	114 Å²	114	81 Å²	81	61%	0.61	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-31.2	171.7	-58.6	-49.5	0	0	0	111.7	I107 D618 L622	I107-N620 VanDerWaalsContact CD1-ND2 3.32Å; I107-N620 WeakPolarHBondContact CD1-ND2 3.39Å; D618-N620 VanDerWaalsContact C-N 3.29Å; D618-N620 PolarHBondContact O-N 2.79Å; D618-N620 WeakPolarHBondContact OD1-CB 3.42Å; D618-N620 PolarHBondContact OD1-N 2.94Å; N620-L622 VanDerWaalsContact C-N 3.26Å; N620-L622 PolarHBondContact O-N 3.4Å
621	S	38.5	Very low	40.9	Very low	55 Å²	55	76.8 Å²	76.8	39%	0.385	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	25.9	172.1	89.3	0	0	0	0	113.3	D618 H623 T626	D618-S621 WeakPolarHBondContact CB-OG 3.16Å; D618-S621 CarbonylContact O-C 3.46Å; D618-S621 PolarHBondContact O-N 3.08Å; D618-S621 PolarHBondContact O-OG 2.82Å; D618-S621 WeakPolarHBondContact OD2-CB 3.34Å; D618-S621 PolarHBondContact OD2-N 2.9Å; S621-H623 PolarHBondContact O-N 2.98Å; S621-T626 PolarHBondContact O-OG1 3.43Å
622	L	41	Very low	41.1	Very low	60 Å²	60	74.8 Å²	74.8	31%	0.314	37%	0.37	S	S	.	.			trans	-75.2	60.8	-176.3	-154.2	90.3	0	0	0	112.7	I617 D618 I619 N620 T626 A627	I617-L622 HydrophobicContact CG2-CD1 3.53Å; D618-L622 PolarHBondContact O-N 2.78Å; I619-L622 WeakPolarHBondContact O-CB 3.37Å; N620-L622 VanDerWaalsContact C-N 3.26Å; N620-L622 PolarHBondContact O-N 3.4Å; L622-T626 HydrophobicContact CD1-CG2 3.99Å; L622-A627 HydrophobicContact CD2-CB 4.46Å
623	H	42.4	Very low	41.3	Very low	143 Å²	143	74 Å²	74	66%	0.662	37%	0.368	S	S	*	.			trans	-63.3	164.6	165.6	-71.3	17.9	0	0	0	110.4	S621 P625 T626 A627	S621-H623 PolarHBondContact O-N 2.98Å; H623-P625 VanDerWaalsContact C-CD 3.49Å; H623-P625 HydrophobicContact CB-CG 4.35Å; H623-T626 PolarHBondContact O-N 2.83Å; H623-T626 PolarHBondContact O-OG1 3.19Å; H623-A627 PolarHBondContact O-N 3.01Å; H623-A627 VanDerWaalsContact O-N 3.16Å
624	Q	41.5	Very low	41.7	Very low	140 Å²	140	67.9 Å²	67.9	65%	0.654	35%	0.349	S	S	*	.	H	α-helix	trans	-36.7	-53.4	176	-81.8	179.5	-39.1	0	0	115.6	Q158 T626 A627 Y628	Q158-Q624 VanDerWaalsContact OE1-C 3.25Å; Q158-Q624 PolarHBondContact OE1-O 3.21Å; Q158-Q624 VanDerWaalsContact OE1-O 3.07Å; Q624-T626 VanDerWaalsContact C-N 3.26Å; Q624-T626 PolarHBondContact O-N 2.87Å; Q624-A627 WeakPolarHBondContact O-CB 3.45Å; Q624-A627 PolarHBondContact O-N 3.36Å; Q624-A627 VanDerWaalsContact O-N 3.17Å; Q624-Y628 PolarHBondContact O-N 2.98Å
625	P	42.4	Very low	42.4	Very low	80 Å²	80	63.3 Å²	63.3	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-60	-29.1	178.7	22.8	-35.5	0	0	0	114.8	H623 Y628 I629	H623-P625 VanDerWaalsContact C-CD 3.49Å; H623-P625 HydrophobicContact CB-CG 4.35Å; P625-Y628 WeakPolarHBondContact O-CB 3.28Å; P625-I629 WeakPolarHBondContact O-CG1 3.08Å; P625-I629 PolarHBondContact O-N 2.03Å
626	T	40	Very low	42.9	Very low	24 Å²	24	57.5 Å²	57.5	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-82.4	-32.5	178.6	-25.4	0	0	0	0	111.5	I617 S621 L622 H623 Q624 Y628	I617-T626 HydrophobicContact CB-CG2 4.02Å; I617-T626 HydrophobicContact CD1-CG2 4.3Å; I617-T626 HydrophobicContact CG1-CG2 3.74Å; I617-T626 HydrophobicContact CG2-CG2 3.61Å; S621-T626 PolarHBondContact O-OG1 3.43Å; L622-T626 HydrophobicContact CD1-CG2 3.99Å; H623-T626 PolarHBondContact O-N 2.83Å; H623-T626 PolarHBondContact O-OG1 3.19Å; Q624-T626 VanDerWaalsContact C-N 3.26Å; Q624-T626 PolarHBondContact O-N 2.87Å; T626-Y628 VanDerWaalsContact C-N 3.33Å
627	A	39.3	Very low	43.5	Very low	10 Å²	10	56.2 Å²	56.2	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-37.2	168.3	0	0	0	0	0	111.9	F160 L622 H623 Q624 I629 H631	F160-A627 HydrophobicContact CB-CB 4.26Å; F160-A627 HydrophobicContact CD2-CB 3.93Å; F160-A627 VanDerWaalsContact CD2-O 3.26Å; F160-A627 WeakPolarHBondContact CD2-O 3.02Å; F160-A627 VanDerWaalsContact CE2-O 3.25Å; F160-A627 WeakPolarHBondContact CE2-O 3.01Å; L622-A627 HydrophobicContact CD2-CB 4.46Å; H623-A627 PolarHBondContact O-N 3.01Å; H623-A627 VanDerWaalsContact O-N 3.16Å; Q624-A627 WeakPolarHBondContact O-CB 3.45Å; Q624-A627 PolarHBondContact O-N 3.36Å; Q624-A627 VanDerWaalsContact O-N 3.17Å; A627-I629 PolarHBondContact O-N 2.91Å; A627-H631 PolarHBondContact O-CD2 3.16Å; A627-H631 PolarHBondContact O-N 3.32Å; A627-H631 VanDerWaalsContact O-N 3.1Å
628	Y	42.8	Very low	44.2	Very low	104 Å²	104	56 Å²	56	41%	0.408	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-47.5	174.9	-175.5	-138.8	0	0	0	113	Q158 Q624 P625 T626 L630 H631 N632	Q158-Y628 HydrophobicContact CG-CD2 3.64Å; Q158-Y628 HydrophobicContact CG-CG 3.95Å; Q158-Y628 VanDerWaalsContact NE2-CG 3.26Å; Q624-Y628 PolarHBondContact O-N 2.98Å; P625-Y628 WeakPolarHBondContact O-CB 3.28Å; T626-Y628 VanDerWaalsContact C-N 3.33Å; Y628-L630 PolarHBondContact O-N 2.67Å; Y628-H631 WeakPolarHBondContact O-CB 3.37Å; Y628-H631 PolarHBondContact O-N 2.04Å; Y628-N632 WeakPolarHBondContact CD2-ND2 3.46Å; Y628-N632 WeakPolarHBondContact CD2-OD1 3Å; Y628-N632 WeakPolarHBondContact CE2-ND2 3.4Å; Y628-N632 VanDerWaalsContact CE2-OD1 3.26Å; Y628-N632 WeakPolarHBondContact CE2-OD1 3.35Å; Y628-N632 VanDerWaalsContact CZ-ND2 3.3Å; Y628-N632 WeakPolarHBondContact O-CB 3.47Å; Y628-N632 PolarHBondContact O-N 3.49Å; Y628-N632 PolarHBondContact O-ND2 3.19Å; Y628-N632 PolarHBondContact O-OD1 2.86Å
629	I	42.5	Very low	44.8	Very low	25 Å²	25	56.1 Å²	56.1	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-50.9	-177.9	-70.3	166.4	0	0	0	110.7	F612 E615 I617 P625 A627 H631 N632 V633	F612-I629 HydrophobicContact CD1-CG2 4.06Å; F612-I629 HydrophobicContact CE1-CB 4.25Å; F612-I629 HydrophobicContact CE1-CG1 4.24Å; F612-I629 HydrophobicContact CE1-CG2 3.7Å; F612-I629 HydrophobicContact CZ-CG2 4.48Å; E615-I629 WeakPolarHBondContact OE2-CD1 3.13Å; I617-I629 HydrophobicContact CD1-CB 4.42Å; I617-I629 HydrophobicContact CD1-CG2 3.89Å; P625-I629 WeakPolarHBondContact O-CG1 3.08Å; P625-I629 PolarHBondContact O-N 2.03Å; A627-I629 PolarHBondContact O-N 2.91Å; I629-H631 VanDerWaalsContact C-N 3.28Å; I629-H631 PolarHBondContact O-N 2.71Å; I629-N632 PolarHBondContact O-N 3.32Å; I629-V633 WeakPolarHBondContact O-CG2 3.21Å; I629-V633 PolarHBondContact O-N 2.7Å
630	L	42.5	Very low	45.6	Very low	72 Å²	72	54.4 Å²	54.4	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-30.8	179.6	-178.9	70.1	0	0	0	112.2	F160 I617 Y628 I634	F160-L630 HydrophobicContact CD2-CD2 4.48Å; F160-L630 HydrophobicContact CE2-CB 3.65Å; F160-L630 HydrophobicContact CE2-CD2 3.74Å; F160-L630 HydrophobicContact CE2-CG 3.66Å; F160-L630 HydrophobicContact CZ-CB 4.25Å; F160-L630 HydrophobicContact CZ-CD2 3.87Å; F160-L630 HydrophobicContact CZ-CG 3.77Å; I617-L630 HydrophobicContact CD1-CB 4.46Å; Y628-L630 PolarHBondContact O-N 2.67Å; L630-I634 WeakPolarHBondContact O-CG1 3.49Å; L630-I634 PolarHBondContact O-N 3.35Å; L630-I634 VanDerWaalsContact O-N 3.07Å
631	H	49.4	Very low	46.4	Very low	32 Å²	32	49.6 Å²	49.6	15%	0.148	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-52	173.9	-93.6	-54.2	0	0	0	111.6	L159 F160 A627 Y628 I629 V633 I634 E635	L159-H631 WeakPolarHBondContact CA-NE2 3.24Å; L159-H631 PolarHBondContact N-NE2 2.91Å; L159-H631 VanDerWaalsContact N-NE2 3.14Å; L159-H631 PolarHBondContact O-CE1 3.31Å; L159-H631 PolarHBondContact O-NE2 3.43Å; F160-H631 WeakPolarHBondContact CA-NE2 3.32Å; F160-H631 WeakPolarHBondContact CB-NE2 3.18Å; F160-H631 AromaticContact CD1-CE1 3.46Å; F160-H631 VanDerWaalsContact CD1-CE1 3.46Å; F160-H631 WeakPolarHBondContact CD1-CE1 3.07Å; F160-H631 AromaticContact CD1-NE2 3.71Å; F160-H631 AromaticContact CD2-CD2 3.3Å; F160-H631 WeakPolarHBondContact CD2-CD2 3.35Å; F160-H631 AromaticContact CD2-CG 3.76Å; F160-H631 AromaticContact CD2-NE2 3.5Å; F160-H631 AromaticContact CE1-CE1 3.6Å; F160-H631 AromaticContact CE1-ND1 3.8Å; F160-H631 HydrophobicContact CE2-CB 4.07Å; F160-H631 AromaticContact CE2-CD2 3.52Å; F160-H631 AromaticContact CE2-CG 3.46Å; F160-H631 VanDerWaalsContact CE2-CG 3.46Å; F160-H631 AromaticContact CE2-ND1 3.68Å; F160-H631 AromaticContact CG-CD2 3.77Å; F160-H631 AromaticContact CG-CE1 3.86Å; F160-H631 AromaticContact CG-NE2 3.14Å; F160-H631 WeakPolarHBondContact CG-NE2 3.33Å; F160-H631 HydrophobicContact CZ-CB 4.5Å; F160-H631 AromaticContact CZ-CG 3.81Å; F160-H631 AromaticContact CZ-ND1 3.53Å; F160-H631 PolarHBondContact N-NE2 3.02Å; A627-H631 PolarHBondContact O-CD2 3.16Å; A627-H631 PolarHBondContact O-N 3.32Å; A627-H631 VanDerWaalsContact O-N 3.1Å; Y628-H631 WeakPolarHBondContact O-CB 3.37Å; Y628-H631 PolarHBondContact O-N 2.04Å; I629-H631 VanDerWaalsContact C-N 3.28Å; I629-H631 PolarHBondContact O-N 2.71Å; H631-V633 PolarHBondContact O-N 3.21Å; H631-I634 PolarHBondContact O-N 3.5Å; H631-E635 WeakPolarHBondContact O-CB 3.23Å; H631-E635 PolarHBondContact O-N 3.37Å
632	N	49.2	Very low	47.1	Very low	37 Å²	37	47.3 Å²	47.3	20%	0.198	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-34.9	179.2	-65.2	-16.1	0	0	0	110.9	F612 Y628 I629 A636	F612-N632 HydrophobicContact CE2-CB 3.98Å; F612-N632 HydrophobicContact CZ-CB 3.63Å; Y628-N632 WeakPolarHBondContact CD2-ND2 3.46Å; Y628-N632 WeakPolarHBondContact CD2-OD1 3Å; Y628-N632 WeakPolarHBondContact CE2-ND2 3.4Å; Y628-N632 VanDerWaalsContact CE2-OD1 3.26Å; Y628-N632 WeakPolarHBondContact CE2-OD1 3.35Å; Y628-N632 VanDerWaalsContact CZ-ND2 3.3Å; Y628-N632 WeakPolarHBondContact O-CB 3.47Å; Y628-N632 PolarHBondContact O-N 3.49Å; Y628-N632 PolarHBondContact O-ND2 3.19Å; Y628-N632 PolarHBondContact O-OD1 2.86Å; I629-N632 PolarHBondContact O-N 3.32Å; N632-A636 WeakPolarHBondContact O-CB 3.34Å; N632-A636 PolarHBondContact O-N 3.06Å
633	V	46.2	Very low	47.5	Very low	20 Å²	20	45.2 Å²	45.2	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-45.6	172.8	172.8	0	0	0	0	112.3	F612 I629 H631 T637	F612-V633 HydrophobicContact CD1-CG2 4.48Å; F612-V633 HydrophobicContact CD2-CG2 3.59Å; F612-V633 HydrophobicContact CE2-CG2 3.59Å; F612-V633 HydrophobicContact CG-CG2 4.07Å; F612-V633 HydrophobicContact CZ-CG2 4.11Å; I629-V633 WeakPolarHBondContact O-CG2 3.21Å; I629-V633 PolarHBondContact O-N 2.7Å; H631-V633 PolarHBondContact O-N 3.21Å; V633-T637 VanDerWaalsContact O-CB 3.24Å; V633-T637 WeakPolarHBondContact O-CB 3.32Å; V633-T637 PolarHBondContact O-N 2.77Å; V633-T637 PolarHBondContact O-OG1 2.89Å
634	I	50.2	Low	47.9	Very low	61 Å²	61	39.2 Å²	39.2	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-63.6	-43.3	176.3	-69.3	-178.8	0	0	0	111	L132 F160 L630 H631 T637 A638	L132-I634 HydrophobicContact CD1-CG2 4.2Å; F160-I634 HydrophobicContact CE1-CD1 4.21Å; F160-I634 HydrophobicContact CZ-CD1 3.85Å; L630-I634 WeakPolarHBondContact O-CG1 3.49Å; L630-I634 PolarHBondContact O-N 3.35Å; L630-I634 VanDerWaalsContact O-N 3.07Å; H631-I634 PolarHBondContact O-N 3.5Å; I634-T637 PolarHBondContact O-N 3.48Å; I634-A638 WeakPolarHBondContact O-CB 3.32Å; I634-A638 PolarHBondContact O-N 3.43Å
635	E	53.3	Low	48.3	Very low	52 Å²	52	33.7 Å²	33.7	24%	0.243	18%	0.176	C	C	.	.	H	α-helix	trans	-67.1	-45.9	179.1	-177.5	165.2	-167.5	0	0	111.5	H631 T637 A638 R639	H631-E635 WeakPolarHBondContact O-CB 3.23Å; H631-E635 PolarHBondContact O-N 3.37Å; E635-T637 VanDerWaalsContact C-N 3.31Å; E635-T637 PolarHBondContact O-N 3.17Å; E635-A638 PolarHBondContact O-N 3.28Å; E635-R639 HydrophobicContact CG-CG 4.48Å; E635-R639 WeakPolarHBondContact O-CB 3.3Å; E635-R639 VanDerWaalsContact O-CG 3.31Å; E635-R639 WeakPolarHBondContact O-CG 3.4Å; E635-R639 PolarHBondContact O-N 3.11Å; E635-R639 IonicContact OE1-CZ 3.53Å; E635-R639 IonicContact OE1-NE 3.39Å; E635-R639 PolarHBondContact OE1-NE 3.1Å; E635-R639 IonicContact OE1-NH2 2.79Å; E635-R639 PolarHBondContact OE1-NH2 3.26Å
636	A	51.3	Low	48.8	Very low	5 Å²	5	29.9 Å²	29.9	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-37	172.9	0	0	0	0	0	112.1	T605 I608 L609 N632 R639 Y640	T605-A636 HydrophobicContact CG2-CB 4.1Å; T605-A636 WeakPolarHBondContact CG2-O 3.43Å; I608-A636 HydrophobicContact CG2-CB 4.22Å; L609-A636 HydrophobicContact CD1-CB 4.49Å; L609-A636 HydrophobicContact CD2-CB 4.04Å; L609-A636 HydrophobicContact CG-CB 4.1Å; N632-A636 WeakPolarHBondContact O-CB 3.34Å; N632-A636 PolarHBondContact O-N 3.06Å; A636-R639 PolarHBondContact O-N 2.77Å; A636-Y640 WeakPolarHBondContact O-CB 3.35Å; A636-Y640 PolarHBondContact O-N 2.75Å
637	T	50.6	Low	49.4	Very low	17 Å²	17	33.1 Å²	33.1	10%	0.104	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-40.5	174.6	-58.1	0	0	0	0	111.4	V633 I634 E635 T641	V633-T637 VanDerWaalsContact O-CB 3.24Å; V633-T637 WeakPolarHBondContact O-CB 3.32Å; V633-T637 PolarHBondContact O-N 2.77Å; V633-T637 PolarHBondContact O-OG1 2.89Å; I634-T637 PolarHBondContact O-N 3.48Å; E635-T637 VanDerWaalsContact C-N 3.31Å; E635-T637 PolarHBondContact O-N 3.17Å; T637-T641 VanDerWaalsContact O-CB 3.24Å; T637-T641 WeakPolarHBondContact O-CB 3.46Å; T637-T641 PolarHBondContact O-N 3.29Å; T637-T641 PolarHBondContact O-OG1 3.31Å
638	A	53.9	Low	49.7	Very low	7 Å²	7	38.4 Å²	38.4	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-45.1	175.4	0	0	0	0	0	111.8	L132 V136 I634 E635 T641 V642	L132-A638 HydrophobicContact CD2-CB 3.95Å; L132-A638 HydrophobicContact CG-CB 4.15Å; V136-A638 HydrophobicContact CG2-CB 4.49Å; I634-A638 WeakPolarHBondContact O-CB 3.32Å; I634-A638 PolarHBondContact O-N 3.43Å; E635-A638 PolarHBondContact O-N 3.28Å; A638-T641 PolarHBondContact O-N 2.9Å; A638-V642 WeakPolarHBondContact O-CB 3.48Å; A638-V642 WeakPolarHBondContact O-CG2 3.27Å; A638-V642 PolarHBondContact O-N 3.29Å
639	R	52.7	Low	49.9	Very low	53 Å²	53	40.6 Å²	40.6	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-48.2	175.2	-70.7	177.7	-173.1	-163.6	10.9	111.7	M599 T605 E635 A636 T641 V642 N643	M599-R639 PolarHBondContact O-NH1 2.97Å; T605-R639 HydrophobicContact CG2-CB 4.25Å; E635-R639 HydrophobicContact CG-CG 4.48Å; E635-R639 WeakPolarHBondContact O-CB 3.3Å; E635-R639 VanDerWaalsContact O-CG 3.31Å; E635-R639 WeakPolarHBondContact O-CG 3.4Å; E635-R639 PolarHBondContact O-N 3.11Å; E635-R639 IonicContact OE1-CZ 3.53Å; E635-R639 IonicContact OE1-NE 3.39Å; E635-R639 PolarHBondContact OE1-NE 3.1Å; E635-R639 IonicContact OE1-NH2 2.79Å; E635-R639 PolarHBondContact OE1-NH2 3.26Å; A636-R639 PolarHBondContact O-N 2.77Å; R639-T641 VanDerWaalsContact C-N 3.35Å; R639-T641 PolarHBondContact O-N 3.32Å; R639-V642 PolarHBondContact O-N 3.32Å; R639-N643 PolarHBondContact O-N 2.88Å; R639-N643 PolarHBondContact O-OD1 2.89Å
640	Y	52.5	Low	50.2	Low	32 Å²	32	41.2 Å²	41.2	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-57	-46.9	174	173.5	-95	0	0	0	111.7	L602 L606 A636 V642 N643 A644	L602-Y640 HydrophobicContact CD1-CD2 3.99Å; L602-Y640 HydrophobicContact CD1-CE2 4.4Å; L606-Y640 HydrophobicContact CD2-CD2 4.28Å; L606-Y640 HydrophobicContact CD2-CE2 4.28Å; A636-Y640 WeakPolarHBondContact O-CB 3.35Å; A636-Y640 PolarHBondContact O-N 2.75Å; Y640-V642 PolarHBondContact O-N 3.17Å; Y640-N643 PolarHBondContact O-N 3.13Å; Y640-A644 HydrophobicContact CE1-CB 4.48Å; Y640-A644 WeakPolarHBondContact O-CB 3.05Å; Y640-A644 PolarHBondContact O-N 3.2Å
641	T	51.8	Low	50.5	Low	12 Å²	12	39.5 Å²	39.5	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-44.7	178.4	-62.4	0	0	0	0	111.7	W128 L129 T637 A638 R639 V645	W128-T641 HydrophobicContact CH2-CG2 3.36Å; W128-T641 HydrophobicContact CZ2-CG2 4.32Å; W128-T641 HydrophobicContact CZ3-CG2 3.75Å; L129-T641 HydrophobicContact CD1-CG2 3.65Å; L129-T641 HydrophobicContact CD2-CG2 3.86Å; L129-T641 HydrophobicContact CG-CG2 4.35Å; T637-T641 VanDerWaalsContact O-CB 3.24Å; T637-T641 WeakPolarHBondContact O-CB 3.46Å; T637-T641 PolarHBondContact O-N 3.29Å; T637-T641 PolarHBondContact O-OG1 3.31Å; A638-T641 PolarHBondContact O-N 2.9Å; R639-T641 VanDerWaalsContact C-N 3.35Å; R639-T641 PolarHBondContact O-N 3.32Å; T641-V645 HydrophobicContact CG2-CG2 4.29Å; T641-V645 VanDerWaalsContact O-CB 3.3Å; T641-V645 WeakPolarHBondContact O-CB 3.29Å; T641-V645 VanDerWaalsContact O-CG2 3.23Å; T641-V645 WeakPolarHBondContact O-CG2 3.46Å; T641-V645 PolarHBondContact O-N 3.33Å
642	V	53.2	Low	50.4	Low	8 Å²	8	42.2 Å²	42.2	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-49.6	177	165.9	0	0	0	0	110.2	L133 I578 A638 R639 Y640 A644 V645 L646	L133-V642 HydrophobicContact CD2-CG2 3.9Å; I578-V642 HydrophobicContact CD1-CG1 3.82Å; A638-V642 WeakPolarHBondContact O-CB 3.48Å; A638-V642 WeakPolarHBondContact O-CG2 3.27Å; A638-V642 PolarHBondContact O-N 3.29Å; R639-V642 PolarHBondContact O-N 3.32Å; Y640-V642 PolarHBondContact O-N 3.17Å; V642-A644 PolarHBondContact O-N 2.05Å; V642-V645 PolarHBondContact O-N 3.06Å; V642-L646 HydrophobicContact CG1-CD1 3.57Å; V642-L646 HydrophobicContact CG1-CG 4.43Å; V642-L646 WeakPolarHBondContact O-CB 3.08Å; V642-L646 WeakPolarHBondContact O-CD1 3.49Å; V642-L646 WeakPolarHBondContact O-CG 3.45Å; V642-L646 PolarHBondContact O-N 3.33Å
643	N	50.8	Low	50.4	Low	15 Å²	15	45.1 Å²	45.1	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-46	179	-72.2	7.6	0	0	0	111.7	F600 L602 R639 Y640 L646 E647	F600-N643 PolarHBondContact O-ND2 2.86Å; F600-N643 VanDerWaalsContact O-ND2 3.12Å; L602-N643 HydrophobicContact CD1-CB 4.31Å; R639-N643 PolarHBondContact O-N 2.88Å; R639-N643 PolarHBondContact O-OD1 2.89Å; Y640-N643 PolarHBondContact O-N 3.13Å; N643-L646 PolarHBondContact O-N 3.44Å; N643-E647 WeakPolarHBondContact O-CB 3.11Å; N643-E647 WeakPolarHBondContact O-CG 3.29Å; N643-E647 PolarHBondContact O-N 3.09Å
644	A	49.6	Very low	50.7	Low	17 Å²	17	46.3 Å²	46.3	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-41.6	178.6	0	0	0	0	0	113.1	Y640 V642 L646 E647 E648	Y640-A644 HydrophobicContact CE1-CB 4.48Å; Y640-A644 WeakPolarHBondContact O-CB 3.05Å; Y640-A644 PolarHBondContact O-N 3.2Å; V642-A644 PolarHBondContact O-N 2.05Å; A644-L646 VanDerWaalsContact C-N 3.27Å; A644-L646 PolarHBondContact O-N 3.36Å; A644-E647 PolarHBondContact O-N 3.18Å; A644-E648 PolarHBondContact O-N 3.05Å
645	V	51.1	Low	50.6	Low	24 Å²	24	51.5 Å²	51.5	15%	0.145	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-32	175.9	165.7	0	0	0	0	111.9	L129 Y558 T641 V642	L129-V645 HydrophobicContact CD2-CG2 4.27Å; Y558-V645 HydrophobicContact CE2-CG1 3.96Å; T641-V645 HydrophobicContact CG2-CG2 4.29Å; T641-V645 VanDerWaalsContact O-CB 3.3Å; T641-V645 WeakPolarHBondContact O-CB 3.29Å; T641-V645 VanDerWaalsContact O-CG2 3.23Å; T641-V645 WeakPolarHBondContact O-CG2 3.46Å; T641-V645 PolarHBondContact O-N 3.33Å; V642-V645 PolarHBondContact O-N 3.06Å
646	L	52.2	Low	50	Low	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-77.4	-41.6	177	-70.3	168.7	0	0	0	112	Y558 V576 Y587 V642 N643 A644 L650 L651	Y558-L646 HydrophobicContact CD1-CD2 4.04Å; Y558-L646 HydrophobicContact CD2-CD2 4.21Å; Y558-L646 HydrophobicContact CE1-CD2 4.37Å; Y558-L646 HydrophobicContact CG-CD2 3.96Å; V576-L646 HydrophobicContact CB-CD1 4.45Å; V576-L646 HydrophobicContact CG1-CD1 4.17Å; V576-L646 HydrophobicContact CG1-CD2 3.77Å; V576-L646 HydrophobicContact CG2-CD1 4.32Å; V576-L646 HydrophobicContact CG2-CD2 4.13Å; Y587-L646 HydrophobicContact CE2-CB 4.49Å; Y587-L646 HydrophobicContact CE2-CD1 4.06Å; Y587-L646 WeakPolarHBondContact OH-CB 3.45Å; Y587-L646 WeakPolarHBondContact OH-CD1 3.41Å; V642-L646 HydrophobicContact CG1-CD1 3.57Å; V642-L646 HydrophobicContact CG1-CG 4.43Å; V642-L646 WeakPolarHBondContact O-CB 3.08Å; V642-L646 WeakPolarHBondContact O-CD1 3.49Å; V642-L646 WeakPolarHBondContact O-CG 3.45Å; V642-L646 PolarHBondContact O-N 3.33Å; N643-L646 PolarHBondContact O-N 3.44Å; A644-L646 VanDerWaalsContact C-N 3.27Å; A644-L646 PolarHBondContact O-N 3.36Å; L646-L650 HydrophobicContact CD2-CB 3.97Å; L646-L650 HydrophobicContact CD2-CD1 3.63Å; L646-L650 HydrophobicContact CD2-CG 4.41Å; L646-L650 PolarHBondContact O-N 3.48Å; L646-L651 PolarHBondContact O-N 3.45Å
647	E	51.6	Low	49.3	Very low	92 Å²	92	62.2 Å²	62.2	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-44.3	176.4	-76.4	177.5	-167.2	0	0	112.8	N643 A644 R649 L651	N643-E647 WeakPolarHBondContact O-CB 3.11Å; N643-E647 WeakPolarHBondContact O-CG 3.29Å; N643-E647 PolarHBondContact O-N 3.09Å; A644-E647 PolarHBondContact O-N 3.18Å; E647-R649 VanDerWaalsContact C-N 3.35Å; E647-R649 PolarHBondContact O-N 3.43Å; E647-L651 HydrophobicContact CG-CD1 3.91Å
648	E	47.3	Very low	48.4	Very low	122 Å²	122	64.1 Å²	64.1	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-72.2	-19	-179.2	-79.2	-160.6	145.7	0	0	114.7	A644	A644-E648 PolarHBondContact O-N 3.05Å
649	R	46.2	Very low	47.2	Very low	149 Å²	149	69.7 Å²	69.7	56%	0.562	37%	0.368	S	S	*	.	H	α-helix	trans	-141.6	-24.8	-170.3	-89.4	-160.2	177.8	97.9	0.9	119.3	F548 E647 T653	F548-R649 PolarHBondContact O-NH1 2.66Å; E647-R649 VanDerWaalsContact C-N 3.35Å; E647-R649 PolarHBondContact O-N 3.43Å; R649-T653 PolarHBondContact O-OG1 2.9Å; R649-T653 VanDerWaalsContact O-OG1 3.12Å
650	L	49	Very low	46.3	Very low	38 Å²	38	77.5 Å²	77.5	20%	0.199	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-40.8	-166.4	-77.1	152	0	0	0	112.6	Y558 L646 S652 T653 W654	Y558-L650 HydrophobicContact CD2-CD1 3.38Å; Y558-L650 HydrophobicContact CE2-CD1 4.07Å; Y558-L650 HydrophobicContact CG-CD1 4.04Å; L646-L650 HydrophobicContact CD2-CB 3.97Å; L646-L650 HydrophobicContact CD2-CD1 3.63Å; L646-L650 HydrophobicContact CD2-CG 4.41Å; L646-L650 PolarHBondContact O-N 3.48Å; L650-S652 PolarHBondContact O-N 2.91Å; L650-T653 PolarHBondContact O-N 3.21Å; L650-T653 PolarHBondContact O-OG1 2.94Å; L650-W654 HydrophobicContact CD2-CZ2 4.24Å; L650-W654 PolarHBondContact O-N 3.43Å
651	L	48.3	Very low	46	Very low	36 Å²	36	79.8 Å²	79.8	19%	0.188	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.4	176.6	-59.2	175.1	0	0	0	113.5	K574 Y587 L646 E647	K574-L651 HydrophobicContact CB-CD2 4.35Å; K574-L651 HydrophobicContact CD-CD2 4.07Å; K574-L651 PolarHBondContact NZ-O 3Å; Y587-L651 HydrophobicContact CD1-CD1 3.87Å; Y587-L651 HydrophobicContact CD1-CD2 4.44Å; Y587-L651 HydrophobicContact CD2-CD2 3.83Å; Y587-L651 HydrophobicContact CE1-CD1 3.49Å; Y587-L651 VanDerWaalsContact CE1-CD1 3.49Å; Y587-L651 HydrophobicContact CE1-CD2 4.44Å; Y587-L651 HydrophobicContact CE2-CD1 4.26Å; Y587-L651 HydrophobicContact CE2-CD2 3.84Å; Y587-L651 HydrophobicContact CG-CD1 4.41Å; Y587-L651 HydrophobicContact CG-CD2 4.15Å; L646-L651 PolarHBondContact O-N 3.45Å; E647-L651 HydrophobicContact CG-CD1 3.91Å
652	S	47.2	Very low	45.6	Very low	90 Å²	90	83.4 Å²	83.4	63%	0.629	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-13.4	179.8	55.6	0	0	0	0	114.6	L650	L650-S652 PolarHBondContact O-N 2.91Å
653	T	50.1	Low	45.2	Very low	98 Å²	98	87.6 Å²	87.6	60%	0.601	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-8.6	178	52.6	0	0	0	0	113.2	R649 L650	R649-T653 PolarHBondContact O-OG1 2.9Å; R649-T653 VanDerWaalsContact O-OG1 3.12Å; L650-T653 PolarHBondContact O-N 3.21Å; L650-T653 PolarHBondContact O-OG1 2.94Å
654	W	52.7	Low	44.9	Very low	45 Å²	45	91.8 Å²	91.8	17%	0.17	48%	0.48	C	S	.	.	S	Bend	trans	-93	99	169.7	-63.7	5	0	0	0	107.8	N560 K574 V576 L650	N560-W654 VanDerWaalsContact CA-CH2 3.49Å; N560-W654 HydrophobicContact CB-CD2 4.22Å; N560-W654 HydrophobicContact CB-CE3 3.84Å; N560-W654 HydrophobicContact CB-CH2 3.82Å; N560-W654 HydrophobicContact CB-CZ2 4.18Å; N560-W654 HydrophobicContact CB-CZ3 3.62Å; K574-W654 PolarHBondContact NZ-O 3.06Å; V576-W654 HydrophobicContact CB-CH2 4.34Å; V576-W654 HydrophobicContact CB-CZ3 4.45Å; V576-W654 HydrophobicContact CG1-CH2 4.2Å; V576-W654 HydrophobicContact CG2-CH2 3.89Å; V576-W654 HydrophobicContact CG2-CZ3 3.69Å; L650-W654 HydrophobicContact CD2-CZ2 4.24Å; L650-W654 PolarHBondContact O-N 3.43Å
655	E	46.2	Very low	44.6	Very low	169 Å²	169	96.5 Å²	96.5	79%	0.79	50%	0.501	S	S	*	.			trans	-54	151.7	177.6	-64	-176.2	118.4	0	0	111.3	D657	E655-D657 PolarHBondContact O-N 3.47Å
656	D	40.8	Very low	44.2	Very low	127 Å²	127	101.3 Å²	101.3	68%	0.679	53%	0.525	S	S	*	.			trans	-78.5	74.5	-178.2	-65.4	-36.6	0	0	0	110.6	K574 A658	K574-D656 WeakPolarHBondContact CE-OD1 3.38Å; K574-D656 IonicContact NZ-OD1 2.9Å; K574-D656 PolarHBondContact NZ-OD1 2.9Å; D656-A658 PolarHBondContact O-N 3.1Å
657	D	37.4	Very low	43.6	Very low	156 Å²	156	108.6 Å²	108.6	83%	0.834	56%	0.563	S	S	*	*			trans	-68.8	48.6	178.3	-92.1	-28.5	0	0	0	113.8	E655	E655-D657 PolarHBondContact O-N 3.47Å
658	A	32.3	Very low	43	Very low	56 Å²	56	109.8 Å²	109.8	46%	0.463	57%	0.573	S	S	.	*			trans	166	142.8	132.8	0	0	0	0	0	112.6	D656 F660	D656-A658 PolarHBondContact O-N 3.1Å; A658-F660 HydrophobicContact CB-CD2 3.57Å; A658-F660 HydrophobicContact CB-CE2 3.83Å; A658-F660 PolarHBondContact O-N 2.99Å
659	P	29.1	Very low	42.6	Very low	124 Å²	124	108.8 Å²	108.8	81%	0.805	57%	0.573	S	S	*	*			trans	-86.4	87.2	169	34.3	-32.6	0	0	0	111.7
660	F	32.2	Very low	42.3	Very low	218 Å²	218	105.2 Å²	105.2	96%	0.956	57%	0.574	S	S	*	*			trans	-138.6	0	172.5	-63.5	-62.1	0	0	0	112.9	R589 A658	R589-F660 PolarHBondContact NH2-O 2.87Å; A658-F660 HydrophobicContact CB-CD2 3.57Å; A658-F660 HydrophobicContact CB-CE2 3.83Å; A658-F660 PolarHBondContact O-N 2.99Å

Retrieved 660 of 660 residues in 233.4 ms (Link to these results)

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