A0A096M3R2_POEFO Loading...

Chromodomain helicase DNA binding protein 1

AlphaFold DB , UniProt , Accession A0A096M3R2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 692 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	41.2	Very low	33.6	Very low	242 Å²	242	161.6 Å²	161.6	100%	1.192	83%	0.828	S	S	*	*				0	166.7	0	-70.2	-175.6	178.9	0	0	109.7
2	R	34.5	Very low	33.3	Very low	240 Å²	240	156.7 Å²	156.7	91%	0.906	82%	0.818	S	S	*	*			trans	87.1	92.8	177.9	-59.2	-179.5	178.2	154.7	1.1	116.7
3	N	35.6	Very low	33	Very low	156 Å²	156	155.6 Å²	155.6	83%	0.834	81%	0.814	S	S	*	*			trans	-21.9	149.1	142.6	-40.3	-16	0	0	0	114.9
4	C	32.5	Very low	32.9	Very low	122 Å²	122	157.6 Å²	157.6	82%	0.824	81%	0.806	S	S	*	*				-160.7	126.9	119.6	-120.9	0	0	0	0	111.8
5	A	42.7	Very low	32.8	Very low	97 Å²	97	163 Å²	163	80%	0.802	81%	0.812	S	S	*	*			trans	-114.8	133.9	165.6	0	0	0	0	0	109.2
6	K	37.9	Very low	33	Very low	187 Å²	187	162.8 Å²	162.8	81%	0.813	81%	0.808	S	S	*	*			trans	-150	127.3	174.5	-74.5	-163.5	179.7	-177.4	0	106.8
7	Q	30.9	Very low	32.7	Very low	172 Å²	172	159.1 Å²	159.1	80%	0.804	80%	0.801	S	S	*	*			cis	61.8	133.7	29.5	-74.3	-161.7	-7.3	0	0	114.1
8	I	31.1	Very low	33	Very low	130 Å²	130	163.3 Å²	163.3	67%	0.667	81%	0.806	S	S	*	*			cis	-162.4	160.6	-10.3	-133.1	170.1	0	0	0	109.5
9	S	28.3	Very low	32.9	Very low	87 Å²	87	161.5 Å²	161.5	61%	0.608	80%	0.8	S	S	*	*			trans	43.4	139.3	156.6	75.3	0	0	0	0	124
10	F	28	Very low	33.1	Very low	196 Å²	196	164.8 Å²	164.8	86%	0.86	80%	0.803	S	S	*	*			trans	47.3	127.2	133.9	-79.7	-111.1	0	0	0	120.8
11	N	26.6	Very low	33.4	Very low	149 Å²	149	168.1 Å²	168.1	80%	0.797	81%	0.807	S	S	*	*				-157.4	174.6	86.9	-138.7	-24.2	0	0	0	113.6
12	S	29.8	Very low	32.8	Very low	102 Å²	102	167.3 Å²	167.3	71%	0.713	79%	0.792	S	S	*	*			trans	-72.8	155.4	-178.8	61.5	0	0	0	0	114.8
13	D	30.1	Very low	33.1	Very low	143 Å²	143	160.8 Å²	160.8	77%	0.765	78%	0.783	S	S	*	*			trans	-133.5	156.4	151.2	-157.6	-1.2	0	0	0	111.5
14	R	30.9	Very low	32.8	Very low	184 Å²	184	157.2 Å²	157.2	69%	0.694	78%	0.783	S	S	*	*			trans	-100.4	169.1	-178.2	-61.4	175.9	172.2	-174.6	2.9	111.2
15	R	32.4	Very low	32.9	Very low	238 Å²	238	156.5 Å²	156.5	90%	0.898	78%	0.78	S	S	*	*				-159	155.1	123.8	-100.2	139.4	-152.3	-121.6	4.4	111.9
16	Q	35.8	Very low	32.4	Very low	160 Å²	160	158.2 Å²	158.2	75%	0.748	78%	0.776	S	S	*	*			trans	-123.5	144.6	-166	-63.8	164.1	-104.5	0	0	111.6
17	S	27.7	Very low	32.1	Very low	100 Å²	100	154.1 Å²	154.1	70%	0.699	77%	0.77	S	S	*	*			trans	-167.2	126.2	166.4	-175.5	0	0	0	0	108.1
18	R	37.4	Very low	32.3	Very low	234 Å²	234	153.2 Å²	153.2	88%	0.883	77%	0.771	S	S	*	*			cis	-149	161.2	0	-105.5	158.4	-172.1	173.1	1.5	110.9
19	N	32.5	Very low	32.4	Very low	129 Å²	129	151 Å²	151	69%	0.69	77%	0.767	S	S	*	*			trans	-27.9	163.2	158.7	-80.4	-22	0	0	0	118
20	R	36.1	Very low	32.9	Very low	228 Å²	228	152.8 Å²	152.8	86%	0.86	78%	0.775	S	S	*	*			cis	-153.3	-179.7	20	-134.5	159.3	-154.3	173.1	2.4	113.8
21	R	38.9	Very low	33.4	Very low	234 Å²	234	148.8 Å²	148.8	88%	0.883	77%	0.771	S	S	*	*			trans	-97.4	157.8	-173.6	-40.9	166.8	-172.6	158.4	-1.4	112.6
22	Y	29.8	Very low	33.9	Very low	226 Å²	226	148.9 Å²	148.9	89%	0.886	77%	0.771	S	S	*	*				-154.7	166.1	118.8	-160.3	-111.4	0	0	0	110.5
23	S	39.4	Very low	34.3	Very low	102 Å²	102	154.6 Å²	154.6	71%	0.713	78%	0.777	S	S	*	*			trans	-127.4	144.9	-176.8	-60.7	0	0	0	0	110.9
24	G	30.3	Very low	35.1	Very low	82 Å²	82	157.2 Å²	157.2	85%	0.845	78%	0.782	S	S	*	*			trans	-143.3	143.1	171.1	0	0	0	0	0	109.4
25	S	33.8	Very low	35.6	Very low	107 Å²	107	160 Å²	160	75%	0.748	79%	0.793	S	S	*	*			trans	-103.7	167.5	-178.3	-162.1	0	0	0	0	111.5
26	D	31.9	Very low	36.5	Very low	133 Å²	133	154.1 Å²	154.1	71%	0.711	79%	0.785	S	S	*	*			trans	92.8	132.9	145.4	-91.6	-77.8	0	0	0	123.8
27	S	33.2	Very low	37.3	Very low	100 Å²	100	156.4 Å²	156.4	70%	0.699	79%	0.792	S	S	*	*			trans	67.2	99.1	139.9	-68.9	0	0	0	0	122
28	D	35.2	Very low	38.2	Very low	153 Å²	153	161.6 Å²	161.6	82%	0.818	80%	0.802	S	S	*	*				78.7	151	125.8	-134.4	-42.3	0	0	0	122.5
29	S	33.3	Very low	38.7	Very low	84 Å²	84	162.5 Å²	162.5	59%	0.587	81%	0.806	S	S	*	*			trans	79.6	100.8	147.7	-78.7	0	0	0	0	122.8
30	T	37	Very low	39.3	Very low	125 Å²	125	159.5 Å²	159.5	77%	0.767	81%	0.805	S	S	*	*			trans	82.8	131.8	132.5	64.2	0	0	0	0	121.9
31	S	39.2	Very low	40.3	Very low	112 Å²	112	159.3 Å²	159.3	78%	0.783	81%	0.805	S	S	*	*			trans	46.9	116.2	150.6	57.3	0	0	0	0	121.6
32	D	38	Very low	40.6	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	79%	0.792	S	S	*	*				-151.1	-174.2	105.1	-146.2	-22.4	0	0	0	112.4
33	R	37.1	Very low	41.7	Very low	222 Å²	222	152.3 Å²	152.3	84%	0.838	79%	0.789	S	S	*	*			trans	-102.8	138.8	-147.1	-72.5	160.5	166.4	-158.6	-0.9	116.1
34	K	47.9	Very low	42.3	Very low	198 Å²	198	152.7 Å²	152.7	86%	0.861	79%	0.787	S	S	*	*			trans	35.7	104.6	138.3	-60.9	-178.7	179.6	177.6	0	118.2
35	R	41.7	Very low	43.5	Very low	243 Å²	243	154.5 Å²	154.5	92%	0.917	78%	0.776	S	S	*	*			trans	-121.3	105.7	142.4	-162.6	175.1	-169.6	-177.2	5.1	110.5	K37	R35-K37 PolarHBondContact O-N 2.68Å
36	P	49.9	Very low	44.1	Very low	113 Å²	113	154.9 Å²	154.9	73%	0.734	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-64.8	120.6	-179	-21.2	32.9	0	0	0	111.6	K38	P36-K38 PolarHBondContact O-N 2.77Å
37	K	53.2	Low	45.2	Very low	208 Å²	208	154.9 Å²	154.9	90%	0.904	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.5	129	165.2	-71.6	-179.4	178.5	175.4	0	107.9	R35 R39	R35-K37 PolarHBondContact O-N 2.68Å; K37-R39 PolarHBondContact O-N 2.96Å
38	K	46.9	Very low	46.4	Very low	209 Å²	209	154 Å²	154	91%	0.909	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-51.9	134.7	-172.2	-74.3	-175.9	175.3	-179	0	111.2	P36 G40	P36-K38 PolarHBondContact O-N 2.77Å; K38-G40 PolarHBondContact O-N 3.01Å
39	R	47.3	Very low	47.6	Very low	253 Å²	253	151.7 Å²	151.7	96%	0.955	74%	0.739	S	S	*	*			trans	-55.9	109	174.5	-76.2	178.4	170.4	172.7	-4.5	110	K37	K37-R39 PolarHBondContact O-N 2.96Å
40	G	44.9	Very low	49.6	Very low	66 Å²	66	148.1 Å²	148.1	68%	0.68	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-66.8	145.5	158.7	0	0	0	0	0	109.6	K38	K38-G40 PolarHBondContact O-N 3.01Å
41	R	57.5	Low	51.4	Low	225 Å²	225	150.4 Å²	150.4	85%	0.849	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-46.1	134.9	174.3	-178	-176.9	-179.1	-167.9	1.6	110.4	R43	R41-R43 PolarHBondContact O-N 2.64Å
42	P	45.2	Very low	53.6	Low	94 Å²	94	147.4 Å²	147.4	61%	0.61	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-56.5	138.3	179.9	22.7	-33.3	0	0	0	110.8	T44	P42-T44 HydrophobicContact CB-CG2 3.93Å; P42-T44 HydrophobicContact CG-CG2 3.92Å; P42-T44 PolarHBondContact O-N 3.27Å
43	R	53.8	Low	56.2	Low	219 Å²	219	141.2 Å²	141.2	83%	0.826	67%	0.665	S	S	*	*			trans	-79.7	75.7	174.4	-71.1	178.6	173.9	168.5	-1.4	108.7	R41 I45	R41-R43 PolarHBondContact O-N 2.64Å; R43-I45 PolarHBondContact O-N 3.2Å
44	T	52.1	Low	58.9	Low	110 Å²	110	134.2 Å²	134.2	68%	0.675	65%	0.647	S	S	*	*			trans	-74	36.7	-174.9	59.2	0	0	0	0	114.1	P42	P42-T44 HydrophobicContact CB-CG2 3.93Å; P42-T44 HydrophobicContact CG-CG2 3.92Å; P42-T44 PolarHBondContact O-N 3.27Å
45	I	55.4	Low	61	Low	119 Å²	119	127.4 Å²	127.4	61%	0.61	62%	0.62	S	S	*	*	S	Bend	trans	-135.9	111.4	167.2	-56.2	178.5	0	0	0	104.9	R43 R47	R43-I45 PolarHBondContact O-N 3.2Å; I45-R47 PolarHBondContact O-N 3.17Å
46	P	46.5	Very low	63.6	Low	116 Å²	116	118.1 Å²	118.1	75%	0.753	60%	0.595	S	S	*	*			trans	-53	124.9	168.5	-23.3	34	0	0	0	108.4	E48	P46-E48 PolarHBondContact O-N 3.26Å; P46-E48 VanDerWaalsContact O-N 3.15Å
47	R	54.6	Low	65.8	Low	133 Å²	133	114.2 Å²	114.2	50%	0.502	57%	0.567	S	S	.	*			trans	-73.8	110.2	170	-70.7	-169.9	174.5	-152.5	-0.2	107.4	I45 N49	I45-R47 PolarHBondContact O-N 3.17Å; R47-N49 VanDerWaalsContact CB-OD1 3.27Å; R47-N49 WeakPolarHBondContact CB-OD1 3.43Å; R47-N49 PolarHBondContact O-N 2.66Å
48	E	57.7	Low	67.8	Low	80 Å²	80	104.3 Å²	104.3	37%	0.374	52%	0.524	S	S	.	.			trans	-64.1	80.4	159.7	-68.1	-178.7	-174.1	0	0	107.2	P46 I50 R105 S133	P46-E48 PolarHBondContact O-N 3.26Å; P46-E48 VanDerWaalsContact O-N 3.15Å; E48-I50 PolarHBondContact O-N 2.98Å; E48-R105 IonicContact OE1-NH1 3.6Å; E48-R105 PolarHBondContact OE1-NH1 3.03Å; E48-S133 PolarHBondContact O-N 3.28Å; E48-S133 PolarHBondContact O-OG 3.35Å
49	N	60.7	Low	70.1	Confident	106 Å²	106	100.5 Å²	100.5	57%	0.567	50%	0.504	S	S	*	.			trans	-78.2	99.3	176.5	-77.8	-16.8	0	0	0	107.7	R47 K51	R47-N49 VanDerWaalsContact CB-OD1 3.27Å; R47-N49 WeakPolarHBondContact CB-OD1 3.43Å; R47-N49 PolarHBondContact O-N 2.66Å; N49-K51 PolarHBondContact O-N 3.06Å
50	I	74.1	Confident	72.4	Confident	8 Å²	8	92.3 Å²	92.3	4%	0.041	47%	0.473	C	S	.	.			trans	-74.1	102.9	176.2	-51.7	177.9	0	0	0	108.4	E48 G52 F53 L95 T98 I132 S133	E48-I50 PolarHBondContact O-N 2.98Å; I50-G52 PolarHBondContact O-N 3.3Å; I50-F53 HydrophobicContact CB-CD2 4.48Å; I50-F53 HydrophobicContact CG2-CD2 3.71Å; I50-F53 HydrophobicContact CG2-CE2 4.14Å; I50-F53 PolarHBondContact O-N 2.81Å; I50-L95 HydrophobicContact CD1-CD1 3.42Å; I50-L95 VanDerWaalsContact CD1-CD1 3.42Å; I50-T98 HydrophobicContact CD1-CG2 3.85Å; I50-T98 HydrophobicContact CG1-CG2 4.48Å; I50-I132 HydrophobicContact CD1-CG2 3.36Å; I50-I132 HydrophobicContact CG1-CG2 3.98Å; I50-S133 PolarHBondContact N-OG 3.28Å
51	K	76.8	Confident	74.9	Confident	174 Å²	174	89.2 Å²	89.2	76%	0.757	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	132.1	175.8	-169.7	-176.6	180	-171.1	0	109.1	N49	N49-K51 PolarHBondContact O-N 3.06Å
52	G	84.9	Confident	76.7	Confident	49 Å²	49	79.2 Å²	79.2	51%	0.505	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	-15.6	-179.5	0	0	0	0	0	115.6	I50 K87	I50-G52 PolarHBondContact O-N 3.3Å; G52-K87 PolarHBondContact O-NZ 3.01Å
53	F	92.1	Very high	79.2	Confident	20 Å²	20	81.2 Å²	81.2	9%	0.088	40%	0.404	C	S	.	.			trans	-123.8	141.5	179.9	-59.2	-89.4	0	0	0	113.7	I50 E57 I58 L84 K87 D91 L92 L95	I50-F53 HydrophobicContact CB-CD2 4.48Å; I50-F53 HydrophobicContact CG2-CD2 3.71Å; I50-F53 HydrophobicContact CG2-CE2 4.14Å; I50-F53 PolarHBondContact O-N 2.81Å; F53-E57 HydrophobicContact CD1-CB 4.21Å; F53-I58 HydrophobicContact CB-CD1 4.11Å; F53-I58 HydrophobicContact CB-CG1 3.78Å; F53-L84 HydrophobicContact CE1-CD1 4.42Å; F53-K87 HydrophobicContact CE1-CB 4.39Å; F53-K87 HydrophobicContact CE1-CD 4.17Å; F53-K87 HydrophobicContact CE1-CG 3.9Å; F53-K87 HydrophobicContact CZ-CG 4.46Å; F53-D91 HydrophobicContact CE2-CB 3.83Å; F53-D91 WeakPolarHBondContact CE2-O 3.41Å; F53-D91 HydrophobicContact CZ-CB 4.02Å; F53-L92 HydrophobicContact CE1-CD2 4.18Å; F53-L92 HydrophobicContact CZ-CD2 4.21Å; F53-L95 HydrophobicContact CD1-CD2 3.82Å; F53-L95 HydrophobicContact CD2-CD2 4.18Å; F53-L95 HydrophobicContact CE1-CD2 3.62Å; F53-L95 HydrophobicContact CE2-CB 3.94Å; F53-L95 HydrophobicContact CE2-CD2 4Å; F53-L95 HydrophobicContact CG-CD2 4.09Å; F53-L95 HydrophobicContact CZ-CB 4.12Å; F53-L95 HydrophobicContact CZ-CD2 3.72Å
54	T	93.6	Very high	81.2	Confident	75 Å²	75	70.9 Å²	70.9	46%	0.46	37%	0.365	S	S	.	.			trans	-84.2	158.7	166.5	65.3	0	0	0	0	111.3	A56 E57 I58	T54-A56 PolarHBondContact O-N 3.43Å; T54-A56 VanDerWaalsContact O-N 3.09Å; T54-A56 PolarHBondContact OG1-N 3.26Å; T54-E57 VanDerWaalsContact CB-OE2 3.28Å; T54-E57 WeakPolarHBondContact CB-OE2 2.95Å; T54-E57 WeakPolarHBondContact CG2-OE2 3.39Å; T54-E57 PolarHBondContact N-OE2 3.49Å; T54-E57 PolarHBondContact O-N 2.71Å; T54-E57 VanDerWaalsContact OG1-CD 3.31Å; T54-E57 VanDerWaalsContact OG1-CG 3.29Å; T54-E57 WeakPolarHBondContact OG1-CG 3.34Å; T54-E57 PolarHBondContact OG1-N 3.34Å; T54-E57 PolarHBondContact OG1-OE2 2.9Å; T54-I58 WeakPolarHBondContact O-CG1 3.22Å; T54-I58 PolarHBondContact O-N 2.69Å
55	D	93.2	Very high	83.3	Confident	56 Å²	56	65.7 Å²	65.7	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-55.5	-24.1	171.3	-99.7	18.5	0	0	0	113.6	R59 G134 V135	D55-R59 WeakPolarHBondContact O-CG 3.39Å; D55-R59 PolarHBondContact O-N 3.47Å; D55-R59 PolarHBondContact O-NE 3.42Å; D55-R59 PolarHBondContact O-NH1 3.19Å; D55-R59 PolarHBondContact O-NH2 3.31Å; D55-R59 IonicContact OD2-NH1 3.81Å; D55-G134 VanDerWaalsContact OD1-CA 3.26Å; D55-G134 WeakPolarHBondContact OD1-CA 3.38Å; D55-G134 PolarHBondContact OD1-N 2.85Å; D55-G134 VanDerWaalsContact OD2-CA 3.28Å; D55-G134 WeakPolarHBondContact OD2-CA 3.22Å; D55-V135 HydrophobicContact CB-CG2 4.13Å; D55-V135 VanDerWaalsContact O-CG2 3.32Å; D55-V135 WeakPolarHBondContact O-CG2 3.37Å
56	A	94.9	Very high	85.3	Confident	47 Å²	47	62.6 Å²	62.6	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-78.4	-47	177.3	0	0	0	0	0	111.6	T54 R59 R60	T54-A56 PolarHBondContact O-N 3.43Å; T54-A56 VanDerWaalsContact O-N 3.09Å; T54-A56 PolarHBondContact OG1-N 3.26Å; A56-R59 WeakPolarHBondContact O-CB 3.4Å; A56-R59 PolarHBondContact O-N 2.8Å; A56-R59 VanDerWaalsContact O-N 3.1Å; A56-R60 PolarHBondContact O-N 3.35Å
57	E	95.6	Very high	87.6	Confident	32 Å²	32	58.5 Å²	58.5	15%	0.15	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-43.9	175.6	-67.6	163	127.4	0	0	111	F53 T54 R59 R60 F61 L84 K87	F53-E57 HydrophobicContact CD1-CB 4.21Å; T54-E57 VanDerWaalsContact CB-OE2 3.28Å; T54-E57 WeakPolarHBondContact CB-OE2 2.95Å; T54-E57 WeakPolarHBondContact CG2-OE2 3.39Å; T54-E57 PolarHBondContact N-OE2 3.49Å; T54-E57 PolarHBondContact O-N 2.71Å; T54-E57 VanDerWaalsContact OG1-CD 3.31Å; T54-E57 VanDerWaalsContact OG1-CG 3.29Å; T54-E57 WeakPolarHBondContact OG1-CG 3.34Å; T54-E57 PolarHBondContact OG1-N 3.34Å; T54-E57 PolarHBondContact OG1-OE2 2.9Å; E57-R59 VanDerWaalsContact C-N 3.25Å; E57-R59 PolarHBondContact O-N 3.22Å; E57-R60 PolarHBondContact O-N 2.85Å; E57-R60 VanDerWaalsContact O-N 3.12Å; E57-F61 WeakPolarHBondContact O-CB 3.38Å; E57-F61 PolarHBondContact O-N 2.71Å; E57-L84 HydrophobicContact CB-CD2 3.58Å; E57-L84 HydrophobicContact CG-CD2 3.57Å; E57-K87 WeakPolarHBondContact OE1-CE 3.32Å; E57-K87 IonicContact OE1-NZ 2.68Å; E57-K87 PolarHBondContact OE1-NZ 3.12Å; E57-K87 IonicContact OE2-NZ 3.71Å
58	I	95.3	Very high	89.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-36.6	174	-64	166.4	0	0	0	111.1	F53 T54 V62 L95 I132 V135	F53-I58 HydrophobicContact CB-CD1 4.11Å; F53-I58 HydrophobicContact CB-CG1 3.78Å; T54-I58 WeakPolarHBondContact O-CG1 3.22Å; T54-I58 PolarHBondContact O-N 2.69Å; I58-V62 HydrophobicContact CG2-CG2 4.39Å; I58-V62 WeakPolarHBondContact O-CB 3.27Å; I58-V62 VanDerWaalsContact O-CG2 3.3Å; I58-V62 WeakPolarHBondContact O-CG2 3.29Å; I58-V62 PolarHBondContact O-N 3.25Å; I58-L95 HydrophobicContact CG1-CD1 4.22Å; I58-L95 HydrophobicContact CG2-CD1 4.48Å; I58-I132 HydrophobicContact CD1-CG2 4.33Å; I58-I132 HydrophobicContact CG2-CB 4.38Å; I58-I132 HydrophobicContact CG2-CG2 4.26Å; I58-V135 HydrophobicContact CB-CG2 3.89Å; I58-V135 HydrophobicContact CG2-CB 4Å; I58-V135 HydrophobicContact CG2-CG1 4.35Å; I58-V135 HydrophobicContact CG2-CG2 3.68Å
59	R	95.7	Very high	91.2	Very high	129 Å²	129	48.7 Å²	48.7	49%	0.487	25%	0.246	S	C	.	.	H	α-helix	trans	-69.2	-37.5	175.4	-82	-176.5	-68.4	-91.8	2.5	112.9	D55 A56 E57 K63 V135	D55-R59 WeakPolarHBondContact O-CG 3.39Å; D55-R59 PolarHBondContact O-N 3.47Å; D55-R59 PolarHBondContact O-NE 3.42Å; D55-R59 PolarHBondContact O-NH1 3.19Å; D55-R59 PolarHBondContact O-NH2 3.31Å; D55-R59 IonicContact OD2-NH1 3.81Å; A56-R59 WeakPolarHBondContact O-CB 3.4Å; A56-R59 PolarHBondContact O-N 2.8Å; A56-R59 VanDerWaalsContact O-N 3.1Å; E57-R59 VanDerWaalsContact C-N 3.25Å; E57-R59 PolarHBondContact O-N 3.22Å; R59-K63 WeakPolarHBondContact O-CB 3.48Å; R59-K63 PolarHBondContact O-N 3.25Å; R59-K63 VanDerWaalsContact O-N 3.13Å; R59-V135 HydrophobicContact CG-CG1 3.69Å; R59-V135 HydrophobicContact CG-CG2 3.95Å
60	R	96.6	Very high	92.7	Very high	81 Å²	81	44.6 Å²	44.6	31%	0.306	23%	0.229	S	C	.	.	H	α-helix	trans	-67.4	-50.5	172.7	-65.8	-164.9	-55.3	-128.6	-0.2	110.5	A56 E57 V62 K63 S64 A82 E83	A56-R60 PolarHBondContact O-N 3.35Å; E57-R60 PolarHBondContact O-N 2.85Å; E57-R60 VanDerWaalsContact O-N 3.12Å; R60-V62 PolarHBondContact O-N 3.45Å; R60-K63 WeakPolarHBondContact O-CA 3.48Å; R60-K63 VanDerWaalsContact O-CB 3.27Å; R60-K63 WeakPolarHBondContact O-CB 3.49Å; R60-K63 PolarHBondContact O-N 2.99Å; R60-S64 PolarHBondContact O-N 3.37Å; R60-S64 PolarHBondContact O-OG 3.12Å; R60-A82 HydrophobicContact CB-CB 4.12Å; R60-A82 WeakPolarHBondContact CB-O 3.47Å; R60-A82 WeakPolarHBondContact CD-O 3.48Å; R60-A82 PolarHBondContact NE-O 2.83Å; R60-E83 WeakPolarHBondContact CD-OE2 3.26Å; R60-E83 IonicContact CZ-OE2 3.61Å; R60-E83 IonicContact NE-OE2 3.09Å; R60-E83 PolarHBondContact NE-OE2 2.9Å; R60-E83 IonicContact NH1-OE2 3.33Å; R60-E83 PolarHBondContact NH1-OE2 2.98Å; R60-E83 PolarHBondContact NH2-O 3.28Å; R60-E83 IonicContact NH2-OE2 2.66Å
61	F	96.8	Very high	93.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-52	-50.5	176.3	-172.5	-88.1	0	0	0	112.4	E57 K63 S64 Y65 I78 L84 L92 L95 A96 V99	E57-F61 WeakPolarHBondContact O-CB 3.38Å; E57-F61 PolarHBondContact O-N 2.71Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 3.41Å; F61-S64 PolarHBondContact O-N 3.48Å; F61-Y65 AromaticContact CE1-CD2 3.81Å; F61-Y65 HydrophobicContact CE1-CD2 3.81Å; F61-Y65 HydrophobicContact CE1-CG 4.48Å; F61-Y65 HydrophobicContact CZ-CD2 4.27Å; F61-Y65 VanDerWaalsContact O-CB 3.26Å; F61-Y65 WeakPolarHBondContact O-CB 3.29Å; F61-Y65 PolarHBondContact O-N 2.89Å; F61-I78 HydrophobicContact CD2-CG2 3.69Å; F61-I78 HydrophobicContact CE2-CG2 3.5Å; F61-I78 VanDerWaalsContact CE2-CG2 3.5Å; F61-I78 HydrophobicContact CG-CG2 4.37Å; F61-I78 HydrophobicContact CZ-CG2 4.02Å; F61-L84 HydrophobicContact CB-CD1 3.83Å; F61-L84 HydrophobicContact CD2-CD1 3.95Å; F61-L84 HydrophobicContact CG-CD1 4.39Å; F61-L92 HydrophobicContact CD2-CD2 4.18Å; F61-L92 HydrophobicContact CE2-CD2 4.08Å; F61-L95 HydrophobicContact CB-CD2 3.8Å; F61-L95 HydrophobicContact CD1-CD1 4.4Å; F61-L95 HydrophobicContact CD1-CD2 3.68Å; F61-L95 HydrophobicContact CD1-CG 3.65Å; F61-L95 HydrophobicContact CD2-CD2 3.68Å; F61-L95 HydrophobicContact CD2-CG 4.32Å; F61-L95 HydrophobicContact CE1-CD2 4.19Å; F61-L95 HydrophobicContact CE1-CG 3.8Å; F61-L95 HydrophobicContact CE2-CD2 4.18Å; F61-L95 HydrophobicContact CE2-CG 4.43Å; F61-L95 HydrophobicContact CG-CD2 3.41Å; F61-L95 VanDerWaalsContact CG-CD2 3.41Å; F61-L95 HydrophobicContact CG-CG 3.94Å; F61-L95 HydrophobicContact CZ-CD2 4.42Å; F61-L95 HydrophobicContact CZ-CG 4.2Å; F61-A96 HydrophobicContact CE1-CB 4.27Å; F61-A96 HydrophobicContact CZ-CB 3.78Å; F61-V99 HydrophobicContact CD1-CG2 4.33Å; F61-V99 HydrophobicContact CE1-CG2 4.23Å
62	V	96.1	Very high	94.3	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-69.5	-23.5	178.7	173.6	0	0	0	0	112.7	I58 R60 K66 V99 V137	I58-V62 HydrophobicContact CG2-CG2 4.39Å; I58-V62 WeakPolarHBondContact O-CB 3.27Å; I58-V62 VanDerWaalsContact O-CG2 3.3Å; I58-V62 WeakPolarHBondContact O-CG2 3.29Å; I58-V62 PolarHBondContact O-N 3.25Å; R60-V62 PolarHBondContact O-N 3.45Å; V62-K66 VanDerWaalsContact O-CE 3.24Å; V62-K66 WeakPolarHBondContact O-CE 3.28Å; V62-K66 WeakPolarHBondContact O-CG 3.32Å; V62-V99 HydrophobicContact CG2-CG2 3.76Å; V62-V137 HydrophobicContact CG1-CG1 4.13Å; V62-V137 HydrophobicContact CG1-CG2 4.27Å; V62-V137 HydrophobicContact CG2-CG2 4.24Å
63	K	96	Very high	94.6	Very high	136 Å²	136	44.1 Å²	44.1	59%	0.591	22%	0.218	S	C	*	.	H	α-helix	trans	-68.3	-47.2	169.9	-178	-165.9	173.4	-162.1	0	110.2	R59 R60 F61	R59-K63 WeakPolarHBondContact O-CB 3.48Å; R59-K63 PolarHBondContact O-N 3.25Å; R59-K63 VanDerWaalsContact O-N 3.13Å; R60-K63 WeakPolarHBondContact O-CA 3.48Å; R60-K63 VanDerWaalsContact O-CB 3.27Å; R60-K63 WeakPolarHBondContact O-CB 3.49Å; R60-K63 PolarHBondContact O-N 2.99Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 3.41Å
64	S	96.7	Very high	94.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.014	22%	0.218	C	C	.	.	H	α-helix	trans	-75.1	-41.3	-175.6	-58.6	0	0	0	0	113.6	R60 F61 K66 K67 F68 D81	R60-S64 PolarHBondContact O-N 3.37Å; R60-S64 PolarHBondContact O-OG 3.12Å; F61-S64 PolarHBondContact O-N 3.48Å; S64-K66 PolarHBondContact O-N 3.05Å; S64-K66 VanDerWaalsContact O-N 3.14Å; S64-K67 VanDerWaalsContact O-CB 3.22Å; S64-K67 WeakPolarHBondContact O-CB 3.43Å; S64-K67 WeakPolarHBondContact O-CG 3.28Å; S64-K67 PolarHBondContact O-N 2.75Å; S64-F68 VanDerWaalsContact O-CD2 3.3Å; S64-F68 WeakPolarHBondContact O-CD2 3.22Å; S64-D81 WeakPolarHBondContact CB-OD2 3.38Å; S64-D81 PolarHBondContact OG-O 2.79Å; S64-D81 PolarHBondContact OG-OD2 3.12Å
65	Y	96.6	Very high	94.7	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-48.3	-43.1	174.5	178.6	-74.1	0	0	0	111.9	F61 K67 F68 P71 A96 V99 H100 V142 E146	F61-Y65 AromaticContact CE1-CD2 3.81Å; F61-Y65 HydrophobicContact CE1-CD2 3.81Å; F61-Y65 HydrophobicContact CE1-CG 4.48Å; F61-Y65 HydrophobicContact CZ-CD2 4.27Å; F61-Y65 VanDerWaalsContact O-CB 3.26Å; F61-Y65 WeakPolarHBondContact O-CB 3.29Å; F61-Y65 PolarHBondContact O-N 2.89Å; Y65-K67 PolarHBondContact O-N 3.11Å; Y65-K67 VanDerWaalsContact O-N 3.14Å; Y65-F68 PolarHBondContact O-N 3.06Å; Y65-P71 HydrophobicContact CD1-CB 4.28Å; Y65-P71 HydrophobicContact CD1-CG 4.05Å; Y65-P71 HydrophobicContact CD2-CB 3.87Å; Y65-P71 HydrophobicContact CD2-CG 4.1Å; Y65-P71 HydrophobicContact CE1-CB 4.19Å; Y65-P71 HydrophobicContact CE1-CG 3.49Å; Y65-P71 VanDerWaalsContact CE1-CG 3.49Å; Y65-P71 HydrophobicContact CE2-CB 3.81Å; Y65-P71 HydrophobicContact CE2-CG 3.58Å; Y65-P71 HydrophobicContact CG-CB 4.1Å; Y65-P71 HydrophobicContact CG-CG 4.3Å; Y65-P71 WeakPolarHBondContact OH-CG 3.48Å; Y65-A96 HydrophobicContact CE2-CB 4.43Å; Y65-V99 HydrophobicContact CD1-CG1 4.24Å; Y65-V99 HydrophobicContact CD2-CG1 4.17Å; Y65-V99 HydrophobicContact CE1-CG1 4.14Å; Y65-V99 HydrophobicContact CE2-CB 4.34Å; Y65-V99 HydrophobicContact CE2-CG1 4.02Å; Y65-V99 HydrophobicContact CG-CG1 4.29Å; Y65-H100 PolarHBondContact OH-ND1 3.37Å; Y65-V142 HydrophobicContact CD1-CG1 3.79Å; Y65-V142 HydrophobicContact CE1-CG1 3.44Å; Y65-V142 VanDerWaalsContact CE1-CG1 3.44Å; Y65-E146 VanDerWaalsContact CE1-OE2 3.31Å; Y65-E146 WeakPolarHBondContact CE1-OE2 3.37Å; Y65-E146 PolarHBondContact OH-OE2 3.49Å
66	K	96	Very high	94.7	Very high	53 Å²	53	43.6 Å²	43.6	23%	0.23	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.4	178.7	-65.1	-179.2	-53.7	76.6	0	114.9	V62 S64 V142 H145	V62-K66 VanDerWaalsContact O-CE 3.24Å; V62-K66 WeakPolarHBondContact O-CE 3.28Å; V62-K66 WeakPolarHBondContact O-CG 3.32Å; S64-K66 PolarHBondContact O-N 3.05Å; S64-K66 VanDerWaalsContact O-N 3.14Å; K66-V142 HydrophobicContact CD-CG2 4.08Å; K66-V142 HydrophobicContact CG-CG2 4.18Å; K66-H145 HydrophobicContact CB-CB 4.39Å
67	K	95.9	Very high	94.7	Very high	31 Å²	31	42 Å²	42	14%	0.135	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.5	177.3	-60.7	-171	177	179.3	0	113.3	S64 Y65 D81 L149 G197 Y198 S200	S64-K67 VanDerWaalsContact O-CB 3.22Å; S64-K67 WeakPolarHBondContact O-CB 3.43Å; S64-K67 WeakPolarHBondContact O-CG 3.28Å; S64-K67 PolarHBondContact O-N 2.75Å; Y65-K67 PolarHBondContact O-N 3.11Å; Y65-K67 VanDerWaalsContact O-N 3.14Å; K67-D81 WeakPolarHBondContact CD-OD2 3.4Å; K67-D81 WeakPolarHBondContact CE-OD2 3.16Å; K67-D81 IonicContact NZ-OD1 3.3Å; K67-D81 PolarHBondContact NZ-OD1 3.38Å; K67-D81 IonicContact NZ-OD2 3.54Å; K67-D81 PolarHBondContact NZ-OD2 3.44Å; K67-L149 VanDerWaalsContact O-CD1 3.27Å; K67-L149 WeakPolarHBondContact O-CD1 3.36Å; K67-G197 WeakPolarHBondContact O-CA 3.48Å; K67-Y198 WeakPolarHBondContact CG-O 3.45Å; K67-Y198 PolarHBondContact O-N 2.88Å; K67-S200 WeakPolarHBondContact CD-OG 3.31Å; K67-S200 PolarHBondContact NZ-OG 3.4Å
68	F	96	Very high	94.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	19%	0.192	C	C	.	.	S	Bend	trans	-122.6	139	-171.5	-60.4	-86.7	0	0	0	111.5	S64 Y65 P71 A77 I78	S64-F68 VanDerWaalsContact O-CD2 3.3Å; S64-F68 WeakPolarHBondContact O-CD2 3.22Å; Y65-F68 PolarHBondContact O-N 3.06Å; F68-P71 HydrophobicContact CB-CB 4.43Å; F68-A77 HydrophobicContact CD1-CB 4.49Å; F68-A77 HydrophobicContact CE1-CB 3.7Å; F68-A77 HydrophobicContact CZ-CB 3.74Å; F68-I78 HydrophobicContact CD2-CD1 4.21Å; F68-I78 HydrophobicContact CD2-CG1 3.43Å; F68-I78 VanDerWaalsContact CD2-CG1 3.43Å; F68-I78 HydrophobicContact CE2-CG1 3.66Å; F68-I78 HydrophobicContact CG-CG1 4.25Å
69	G	91.9	Very high	94.8	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	19%	0.193	C	C	.	.	S	Bend	trans	-83.6	138.1	164.9	0	0	0	0	0	110	R74 H153	G69-R74 PolarHBondContact O-NE 3.32Å; G69-H153 PolarHBondContact O-ND1 2.99Å
70	G	91	Very high	94.8	Very high	21 Å²	21	41.4 Å²	41.4	22%	0.216	20%	0.196	C	C	.	.	S	Bend	trans	56.8	55.1	-169.4	0	0	0	0	0	113.1	L72 E73 H153	G70-L72 PolarHBondContact O-N 3.23Å; G70-E73 PolarHBondContact O-N 2.68Å; G70-E73 VanDerWaalsContact O-N 3.11Å; G70-H153 WeakPolarHBondContact CA-ND1 3.24Å
71	P	92.6	Very high	94.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-64.3	-22.8	-170.8	25.8	-35.3	0	0	0	114.3	Y65 F68 E73 R74 I78 E146	Y65-P71 HydrophobicContact CD1-CB 4.28Å; Y65-P71 HydrophobicContact CD1-CG 4.05Å; Y65-P71 HydrophobicContact CD2-CB 3.87Å; Y65-P71 HydrophobicContact CD2-CG 4.1Å; Y65-P71 HydrophobicContact CE1-CB 4.19Å; Y65-P71 HydrophobicContact CE1-CG 3.49Å; Y65-P71 VanDerWaalsContact CE1-CG 3.49Å; Y65-P71 HydrophobicContact CE2-CB 3.81Å; Y65-P71 HydrophobicContact CE2-CG 3.58Å; Y65-P71 HydrophobicContact CG-CB 4.1Å; Y65-P71 HydrophobicContact CG-CG 4.3Å; Y65-P71 WeakPolarHBondContact OH-CG 3.48Å; F68-P71 HydrophobicContact CB-CB 4.43Å; P71-E73 PolarHBondContact O-N 3.23Å; P71-R74 PolarHBondContact O-N 2.78Å; P71-R74 VanDerWaalsContact O-N 3.13Å; P71-I78 HydrophobicContact CB-CD1 3.64Å; P71-I78 VanDerWaalsContact O-CD1 3.28Å; P71-I78 WeakPolarHBondContact O-CD1 3.29Å; P71-E146 HydrophobicContact CG-CG 4.32Å
72	L	92.3	Very high	94.6	Very high	72 Å²	72	39.5 Å²	39.5	38%	0.377	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-62.9	-23.6	174.6	-67.1	171.6	0	0	0	113.2	G70 A96 E97	G70-L72 PolarHBondContact O-N 3.23Å; L72-A96 HydrophobicContact CD2-CB 3.67Å; L72-E97 HydrophobicContact CD2-CG 4.26Å
73	E	92	Very high	94.6	Very high	147 Å²	147	44.7 Å²	44.7	69%	0.687	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-94.6	3.8	178.2	-62.7	173.2	-162.5	0	0	112.6	G70 P71 H153	G70-E73 PolarHBondContact O-N 2.68Å; G70-E73 VanDerWaalsContact O-N 3.11Å; P71-E73 PolarHBondContact O-N 3.23Å; E73-H153 IonicContact OE2-CE1 2.68Å; E73-H153 PolarHBondContact OE2-CE1 3.48Å; E73-H153 IonicContact OE2-NE2 2.58Å
74	R	92.3	Very high	94.6	Very high	21 Å²	21	38.2 Å²	38.2	8%	0.079	19%	0.187	C	C	.	.			trans	-133.6	33.4	-172.1	-56.5	-169.4	-162.2	-167.4	1.8	113.2	G69 P71 D76 A77 I78 H153 Y194	G69-R74 PolarHBondContact O-NE 3.32Å; P71-R74 PolarHBondContact O-N 2.78Å; P71-R74 VanDerWaalsContact O-N 3.13Å; R74-D76 PolarHBondContact O-N 3.48Å; R74-A77 HydrophobicContact CB-CB 4.31Å; R74-A77 PolarHBondContact O-N 2.91Å; R74-A77 VanDerWaalsContact O-N 3.11Å; R74-I78 WeakPolarHBondContact O-CG1 3.15Å; R74-I78 PolarHBondContact O-N 3.46Å; R74-H153 PolarHBondContact NH2-ND1 2.94Å; R74-Y194 PolarHBondContact NH1-O 2.59Å; R74-Y194 VanDerWaalsContact NH2-CD2 3.31Å
75	L	95	Very high	94.4	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-56.3	-37.7	-177.5	-58.2	177.7	0	0	0	111.9	I78 A79 K93 A96	L75-I78 PolarHBondContact O-N 3.5Å; L75-A79 VanDerWaalsContact O-CB 3.22Å; L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 3.04Å; L75-K93 HydrophobicContact CD1-CB 3.54Å; L75-K93 HydrophobicContact CD1-CG 4.04Å; L75-A96 HydrophobicContact CD2-CB 3.52Å
76	D	94	Very high	94.3	Very high	109 Å²	109	49.7 Å²	49.7	58%	0.583	25%	0.251	S	S	*	.	H	α-helix	trans	-70.1	-34.9	178.7	-49.8	-37.9	0	0	0	113.4	R74 R80	R74-D76 PolarHBondContact O-N 3.48Å; D76-R80 WeakPolarHBondContact O-CG 3.24Å; D76-R80 PolarHBondContact O-N 3.46Å; D76-R80 PolarHBondContact O-NE 2.76Å
77	A	94.3	Very high	94.1	Very high	13 Å²	13	49.9 Å²	49.9	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-71.8	-40.4	174.2	0	0	0	0	0	110.8	F68 R74 R80 D81	F68-A77 HydrophobicContact CD1-CB 4.49Å; F68-A77 HydrophobicContact CE1-CB 3.7Å; F68-A77 HydrophobicContact CZ-CB 3.74Å; R74-A77 HydrophobicContact CB-CB 4.31Å; R74-A77 PolarHBondContact O-N 2.91Å; R74-A77 VanDerWaalsContact O-N 3.11Å; A77-R80 PolarHBondContact O-N 2.86Å; A77-D81 WeakPolarHBondContact O-CB 3.46Å; A77-D81 PolarHBondContact O-N 3.19Å
78	I	96.4	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-39.5	173.4	-66.5	164.4	0	0	0	110.8	F61 F68 P71 R74 L75 D81 A82	F61-I78 HydrophobicContact CD2-CG2 3.69Å; F61-I78 HydrophobicContact CE2-CG2 3.5Å; F61-I78 VanDerWaalsContact CE2-CG2 3.5Å; F61-I78 HydrophobicContact CG-CG2 4.37Å; F61-I78 HydrophobicContact CZ-CG2 4.02Å; F68-I78 HydrophobicContact CD2-CD1 4.21Å; F68-I78 HydrophobicContact CD2-CG1 3.43Å; F68-I78 VanDerWaalsContact CD2-CG1 3.43Å; F68-I78 HydrophobicContact CE2-CG1 3.66Å; F68-I78 HydrophobicContact CG-CG1 4.25Å; P71-I78 HydrophobicContact CB-CD1 3.64Å; P71-I78 VanDerWaalsContact O-CD1 3.28Å; P71-I78 WeakPolarHBondContact O-CD1 3.29Å; R74-I78 WeakPolarHBondContact O-CG1 3.15Å; R74-I78 PolarHBondContact O-N 3.46Å; L75-I78 PolarHBondContact O-N 3.5Å; I78-D81 PolarHBondContact O-N 2.81Å; I78-A82 WeakPolarHBondContact O-CB 3.29Å; I78-A82 PolarHBondContact O-N 2.98Å
79	A	96.2	Very high	93.8	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-68.3	-39.5	179	0	0	0	0	0	112.3	L75 E83 L84 L92	L75-A79 VanDerWaalsContact O-CB 3.22Å; L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 3.04Å; A79-E83 PolarHBondContact O-N 3.35Å; A79-L84 HydrophobicContact CB-CB 4.46Å; A79-L84 PolarHBondContact O-N 2.84Å; A79-L92 HydrophobicContact CB-CD1 3.74Å; A79-L92 HydrophobicContact CB-CD2 4.27Å
80	R	95.2	Very high	93.9	Very high	145 Å²	145	62.8 Å²	62.8	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-51.1	170.6	-74.2	-177.8	-66.9	150.5	0.3	111.5	D76 A77 A82 E83 V85	D76-R80 WeakPolarHBondContact O-CG 3.24Å; D76-R80 PolarHBondContact O-N 3.46Å; D76-R80 PolarHBondContact O-NE 2.76Å; A77-R80 PolarHBondContact O-N 2.86Å; R80-A82 VanDerWaalsContact C-N 3.29Å; R80-A82 PolarHBondContact O-N 2.99Å; R80-E83 PolarHBondContact O-N 3.04Å; R80-V85 HydrophobicContact CB-CG1 4.46Å; R80-V85 HydrophobicContact CG-CG1 3.78Å
81	D	95	Very high	94	Very high	39 Å²	39	64.1 Å²	64.1	21%	0.209	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-26	-179.5	-173.4	72.5	0	0	0	114.2	S64 K67 A77 I78 S200	S64-D81 WeakPolarHBondContact CB-OD2 3.38Å; S64-D81 PolarHBondContact OG-O 2.79Å; S64-D81 PolarHBondContact OG-OD2 3.12Å; K67-D81 WeakPolarHBondContact CD-OD2 3.4Å; K67-D81 WeakPolarHBondContact CE-OD2 3.16Å; K67-D81 IonicContact NZ-OD1 3.3Å; K67-D81 PolarHBondContact NZ-OD1 3.38Å; K67-D81 IonicContact NZ-OD2 3.54Å; K67-D81 PolarHBondContact NZ-OD2 3.44Å; A77-D81 WeakPolarHBondContact O-CB 3.46Å; A77-D81 PolarHBondContact O-N 3.19Å; I78-D81 PolarHBondContact O-N 2.81Å; D81-S200 PolarHBondContact OD1-OG 3.02Å
82	A	95.9	Very high	94.1	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.8	-179.2	0	0	0	0	0	114.1	R60 I78 R80 L84	R60-A82 HydrophobicContact CB-CB 4.12Å; R60-A82 WeakPolarHBondContact CB-O 3.47Å; R60-A82 WeakPolarHBondContact CD-O 3.48Å; R60-A82 PolarHBondContact NE-O 2.83Å; I78-A82 WeakPolarHBondContact O-CB 3.29Å; I78-A82 PolarHBondContact O-N 2.98Å; R80-A82 VanDerWaalsContact C-N 3.29Å; R80-A82 PolarHBondContact O-N 2.99Å; A82-L84 HydrophobicContact CB-CB 4.49Å; A82-L84 HydrophobicContact CB-CD1 3.67Å; A82-L84 HydrophobicContact CB-CG 3.89Å; A82-L84 WeakPolarHBondContact O-CG 3.26Å
83	E	95.8	Very high	94.2	Very high	125 Å²	125	65.6 Å²	65.6	58%	0.584	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	57.1	-170.4	-53.9	150	-155.1	0	0	111.1	R60 A79 R80	R60-E83 WeakPolarHBondContact CD-OE2 3.26Å; R60-E83 IonicContact CZ-OE2 3.61Å; R60-E83 IonicContact NE-OE2 3.09Å; R60-E83 PolarHBondContact NE-OE2 2.9Å; R60-E83 IonicContact NH1-OE2 3.33Å; R60-E83 PolarHBondContact NH1-OE2 2.98Å; R60-E83 PolarHBondContact NH2-O 3.28Å; R60-E83 IonicContact NH2-OE2 2.66Å; A79-E83 PolarHBondContact O-N 3.35Å; R80-E83 PolarHBondContact O-N 3.04Å
84	L	94.8	Very high	94.3	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.311	C	S	.	.			trans	-136.8	22.6	-176.6	-61.2	175.6	0	0	0	113.3	F53 E57 F61 A79 A82 D86 K87 L92	F53-L84 HydrophobicContact CE1-CD1 4.42Å; E57-L84 HydrophobicContact CB-CD2 3.58Å; E57-L84 HydrophobicContact CG-CD2 3.57Å; F61-L84 HydrophobicContact CB-CD1 3.83Å; F61-L84 HydrophobicContact CD2-CD1 3.95Å; F61-L84 HydrophobicContact CG-CD1 4.39Å; A79-L84 HydrophobicContact CB-CB 4.46Å; A79-L84 PolarHBondContact O-N 2.84Å; A82-L84 HydrophobicContact CB-CB 4.49Å; A82-L84 HydrophobicContact CB-CD1 3.67Å; A82-L84 HydrophobicContact CB-CG 3.89Å; A82-L84 WeakPolarHBondContact O-CG 3.26Å; L84-D86 PolarHBondContact O-N 3.04Å; L84-K87 HydrophobicContact CB-CG 4.08Å; L84-K87 HydrophobicContact CD2-CG 4.4Å; L84-K87 WeakPolarHBondContact O-CB 3.39Å; L84-K87 WeakPolarHBondContact O-CG 3.41Å; L84-K87 PolarHBondContact O-N 3.11Å; L84-L92 HydrophobicContact CB-CD2 4.15Å; L84-L92 HydrophobicContact CD1-CD2 4.35Å
85	V	93.8	Very high	94.4	Very high	93 Å²	93	62.9 Å²	62.9	56%	0.564	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22	-179.6	-63.6	0	0	0	0	113.4	R80 K87	R80-V85 HydrophobicContact CB-CG1 4.46Å; R80-V85 HydrophobicContact CG-CG1 3.78Å; V85-K87 PolarHBondContact O-N 3.36Å
86	D	93.6	Very high	94.4	Very high	150 Å²	150	62.4 Å²	62.4	80%	0.802	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	7.4	177.5	-39.4	-76.3	0	0	0	113.8	L84	L84-D86 PolarHBondContact O-N 3.04Å
87	K	92.8	Very high	94.5	Very high	57 Å²	57	61 Å²	61	25%	0.248	29%	0.294	C	S	.	.	S	Bend	trans	-102.2	147.8	-179	-56.8	-63.2	-178.2	175.5	0	110.5	G52 F53 E57 L84 V85 L92	G52-K87 PolarHBondContact O-NZ 3.01Å; F53-K87 HydrophobicContact CE1-CB 4.39Å; F53-K87 HydrophobicContact CE1-CD 4.17Å; F53-K87 HydrophobicContact CE1-CG 3.9Å; F53-K87 HydrophobicContact CZ-CG 4.46Å; E57-K87 WeakPolarHBondContact OE1-CE 3.32Å; E57-K87 IonicContact OE1-NZ 2.68Å; E57-K87 PolarHBondContact OE1-NZ 3.12Å; E57-K87 IonicContact OE2-NZ 3.71Å; L84-K87 HydrophobicContact CB-CG 4.08Å; L84-K87 HydrophobicContact CD2-CG 4.4Å; L84-K87 WeakPolarHBondContact O-CB 3.39Å; L84-K87 WeakPolarHBondContact O-CG 3.41Å; L84-K87 PolarHBondContact O-N 3.11Å; V85-K87 PolarHBondContact O-N 3.36Å; K87-L92 HydrophobicContact CB-CD1 4.15Å; K87-L92 HydrophobicContact CB-CD2 4.14Å; K87-L92 HydrophobicContact CB-CG 3.92Å
88	S	93.8	Very high	94.5	Very high	53 Å²	53	61.7 Å²	61.7	37%	0.371	30%	0.297	S	S	.	.			trans	-65.7	142.9	174.8	82.7	0	0	0	0	111	H90 D91 L92	S88-H90 PolarHBondContact O-N 2.84Å; S88-D91 PolarHBondContact O-N 3.2Å; S88-D91 WeakPolarHBondContact OG-CB 3.34Å; S88-D91 PolarHBondContact OG-N 3.33Å; S88-D91 PolarHBondContact OG-OD2 3.09Å; S88-L92 WeakPolarHBondContact O-CG 3.29Å; S88-L92 PolarHBondContact O-N 3.1Å
89	E	92	Very high	94.4	Very high	125 Å²	125	61.7 Å²	61.7	58%	0.584	30%	0.297	S	S	*	.	H	α-helix	trans	-53.8	-40.4	174.6	-168.2	-150.3	140.6	0	0	111	D91 L92 K93	E89-D91 PolarHBondContact O-N 3.2Å; E89-L92 PolarHBondContact O-N 2.75Å; E89-K93 VanDerWaalsContact O-CB 3.24Å; E89-K93 WeakPolarHBondContact O-CB 3.28Å; E89-K93 PolarHBondContact O-N 3.19Å
90	H	92.4	Very high	94.3	Very high	131 Å²	131	63.6 Å²	63.6	61%	0.606	31%	0.305	S	S	*	.	H	α-helix	trans	-60.2	-43.7	175.7	174	-87.2	0	0	0	113	S88 K93 R94	S88-H90 PolarHBondContact O-N 2.84Å; H90-K93 PolarHBondContact O-N 3.16Å; H90-R94 VanDerWaalsContact O-CB 3.29Å; H90-R94 WeakPolarHBondContact O-CB 3.5Å; H90-R94 PolarHBondContact O-N 3.22Å
91	D	93.4	Very high	94.3	Very high	48 Å²	48	61 Å²	61	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-70.2	-38.1	177.8	-68.2	-46.8	0	0	0	111.6	F53 S88 E89 R94 L95	F53-D91 HydrophobicContact CE2-CB 3.83Å; F53-D91 WeakPolarHBondContact CE2-O 3.41Å; F53-D91 HydrophobicContact CZ-CB 4.02Å; S88-D91 PolarHBondContact O-N 3.2Å; S88-D91 WeakPolarHBondContact OG-CB 3.34Å; S88-D91 PolarHBondContact OG-N 3.33Å; S88-D91 PolarHBondContact OG-OD2 3.09Å; E89-D91 PolarHBondContact O-N 3.2Å; D91-R94 PolarHBondContact O-N 3.34Å; D91-L95 WeakPolarHBondContact O-CB 3.18Å; D91-L95 PolarHBondContact O-N 2.69Å
92	L	94.7	Very high	94.2	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-44.3	173.2	-70.9	164.5	0	0	0	111.4	F53 F61 A79 L84 K87 S88 E89 L95 A96	F53-L92 HydrophobicContact CE1-CD2 4.18Å; F53-L92 HydrophobicContact CZ-CD2 4.21Å; F61-L92 HydrophobicContact CD2-CD2 4.18Å; F61-L92 HydrophobicContact CE2-CD2 4.08Å; A79-L92 HydrophobicContact CB-CD1 3.74Å; A79-L92 HydrophobicContact CB-CD2 4.27Å; L84-L92 HydrophobicContact CB-CD2 4.15Å; L84-L92 HydrophobicContact CD1-CD2 4.35Å; K87-L92 HydrophobicContact CB-CD1 4.15Å; K87-L92 HydrophobicContact CB-CD2 4.14Å; K87-L92 HydrophobicContact CB-CG 3.92Å; S88-L92 WeakPolarHBondContact O-CG 3.29Å; S88-L92 PolarHBondContact O-N 3.1Å; E89-L92 PolarHBondContact O-N 2.75Å; L92-L95 WeakPolarHBondContact O-CB 3.26Å; L92-L95 PolarHBondContact O-N 3.23Å; L92-A96 WeakPolarHBondContact O-CB 3.11Å; L92-A96 PolarHBondContact O-N 2.61Å
93	K	94.9	Very high	94.1	Very high	99 Å²	99	59.3 Å²	59.3	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-48.4	175.8	-176.3	169.2	-178.9	171	0	111.4	L75 E89 H90 L95 A96 E97	L75-K93 HydrophobicContact CD1-CB 3.54Å; L75-K93 HydrophobicContact CD1-CG 4.04Å; E89-K93 VanDerWaalsContact O-CB 3.24Å; E89-K93 WeakPolarHBondContact O-CB 3.28Å; E89-K93 PolarHBondContact O-N 3.19Å; H90-K93 PolarHBondContact O-N 3.16Å; K93-L95 VanDerWaalsContact C-N 3.29Å; K93-L95 PolarHBondContact O-N 3.46Å; K93-A96 WeakPolarHBondContact O-CB 3.17Å; K93-A96 PolarHBondContact O-N 3.46Å; K93-A96 VanDerWaalsContact O-N 3.1Å; K93-E97 WeakPolarHBondContact CE-OE1 3.03Å; K93-E97 HydrophobicContact CG-CG 4.46Å; K93-E97 WeakPolarHBondContact CG-OE1 3.45Å; K93-E97 WeakPolarHBondContact O-CB 3.47Å; K93-E97 WeakPolarHBondContact O-CG 3.47Å; K93-E97 PolarHBondContact O-N 2.64Å
94	R	94.3	Very high	94	Very high	112 Å²	112	56.5 Å²	56.5	42%	0.423	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-39.4	175.3	-175.1	-176.6	179.6	-164.3	4	112.2	H90 D91 T98	H90-R94 VanDerWaalsContact O-CB 3.29Å; H90-R94 WeakPolarHBondContact O-CB 3.5Å; H90-R94 PolarHBondContact O-N 3.22Å; D91-R94 PolarHBondContact O-N 3.34Å; R94-T98 WeakPolarHBondContact O-CB 3.4Å; R94-T98 PolarHBondContact O-N 2.79Å; R94-T98 PolarHBondContact O-OG1 2.82Å
95	L	94.9	Very high	93.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-43.8	173.9	174.5	59.8	0	0	0	111.3	I50 F53 I58 F61 D91 L92 K93 T98 V99	I50-L95 HydrophobicContact CD1-CD1 3.42Å; I50-L95 VanDerWaalsContact CD1-CD1 3.42Å; F53-L95 HydrophobicContact CD1-CD2 3.82Å; F53-L95 HydrophobicContact CD2-CD2 4.18Å; F53-L95 HydrophobicContact CE1-CD2 3.62Å; F53-L95 HydrophobicContact CE2-CB 3.94Å; F53-L95 HydrophobicContact CE2-CD2 4Å; F53-L95 HydrophobicContact CG-CD2 4.09Å; F53-L95 HydrophobicContact CZ-CB 4.12Å; F53-L95 HydrophobicContact CZ-CD2 3.72Å; I58-L95 HydrophobicContact CG1-CD1 4.22Å; I58-L95 HydrophobicContact CG2-CD1 4.48Å; F61-L95 HydrophobicContact CB-CD2 3.8Å; F61-L95 HydrophobicContact CD1-CD1 4.4Å; F61-L95 HydrophobicContact CD1-CD2 3.68Å; F61-L95 HydrophobicContact CD1-CG 3.65Å; F61-L95 HydrophobicContact CD2-CD2 3.68Å; F61-L95 HydrophobicContact CD2-CG 4.32Å; F61-L95 HydrophobicContact CE1-CD2 4.19Å; F61-L95 HydrophobicContact CE1-CG 3.8Å; F61-L95 HydrophobicContact CE2-CD2 4.18Å; F61-L95 HydrophobicContact CE2-CG 4.43Å; F61-L95 HydrophobicContact CG-CD2 3.41Å; F61-L95 VanDerWaalsContact CG-CD2 3.41Å; F61-L95 HydrophobicContact CG-CG 3.94Å; F61-L95 HydrophobicContact CZ-CD2 4.42Å; F61-L95 HydrophobicContact CZ-CG 4.2Å; D91-L95 WeakPolarHBondContact O-CB 3.18Å; D91-L95 PolarHBondContact O-N 2.69Å; L92-L95 WeakPolarHBondContact O-CB 3.26Å; L92-L95 PolarHBondContact O-N 3.23Å; K93-L95 VanDerWaalsContact C-N 3.29Å; K93-L95 PolarHBondContact O-N 3.46Å; L95-T98 PolarHBondContact O-N 2.89Å; L95-V99 HydrophobicContact CD1-CG2 4.41Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 2.63Å
96	A	95	Very high	93.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-48	177	0	0	0	0	0	112.4	F61 Y65 L72 L75 L92 K93 T98 V99 H100	F61-A96 HydrophobicContact CE1-CB 4.27Å; F61-A96 HydrophobicContact CZ-CB 3.78Å; Y65-A96 HydrophobicContact CE2-CB 4.43Å; L72-A96 HydrophobicContact CD2-CB 3.67Å; L75-A96 HydrophobicContact CD2-CB 3.52Å; L92-A96 WeakPolarHBondContact O-CB 3.11Å; L92-A96 PolarHBondContact O-N 2.61Å; K93-A96 WeakPolarHBondContact O-CB 3.17Å; K93-A96 PolarHBondContact O-N 3.46Å; K93-A96 VanDerWaalsContact O-N 3.1Å; A96-T98 VanDerWaalsContact C-N 3.31Å; A96-T98 PolarHBondContact O-N 3.36Å; A96-V99 WeakPolarHBondContact O-CB 3.42Å; A96-V99 PolarHBondContact O-N 2.95Å; A96-V99 VanDerWaalsContact O-N 3.17Å; A96-H100 PolarHBondContact O-N 3.31Å
97	E	94.7	Very high	93.6	Very high	81 Å²	81	53.5 Å²	53.5	38%	0.379	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-38.9	175	-72.1	172.4	-172.8	0	0	111.3	L72 K93 H100 N101	L72-E97 HydrophobicContact CD2-CG 4.26Å; K93-E97 WeakPolarHBondContact CE-OE1 3.03Å; K93-E97 HydrophobicContact CG-CG 4.46Å; K93-E97 WeakPolarHBondContact CG-OE1 3.45Å; K93-E97 WeakPolarHBondContact O-CB 3.47Å; K93-E97 WeakPolarHBondContact O-CG 3.47Å; K93-E97 PolarHBondContact O-N 2.64Å; E97-H100 PolarHBondContact O-N 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.33Å; E97-N101 VanDerWaalsContact O-CG 3.3Å; E97-N101 PolarHBondContact O-N 3.21Å; E97-N101 PolarHBondContact O-ND2 3.19Å
98	T	94.1	Very high	93.4	Very high	27 Å²	27	61 Å²	61	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-37.1	175.4	-53	0	0	0	0	111.7	I50 R94 L95 A96 G102 I132	I50-T98 HydrophobicContact CD1-CG2 3.85Å; I50-T98 HydrophobicContact CG1-CG2 4.48Å; R94-T98 WeakPolarHBondContact O-CB 3.4Å; R94-T98 PolarHBondContact O-N 2.79Å; R94-T98 PolarHBondContact O-OG1 2.82Å; L95-T98 PolarHBondContact O-N 2.89Å; A96-T98 VanDerWaalsContact C-N 3.31Å; A96-T98 PolarHBondContact O-N 3.36Å; T98-G102 WeakPolarHBondContact O-CA 3.26Å; T98-G102 PolarHBondContact O-N 2.78Å; T98-I132 HydrophobicContact CG2-CG2 4.49Å
99	V	94.8	Very high	93.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-51.5	173.1	170.6	0	0	0	0	110.8	F61 V62 Y65 L95 A96 G102 C103 I132 V142	F61-V99 HydrophobicContact CD1-CG2 4.33Å; F61-V99 HydrophobicContact CE1-CG2 4.23Å; V62-V99 HydrophobicContact CG2-CG2 3.76Å; Y65-V99 HydrophobicContact CD1-CG1 4.24Å; Y65-V99 HydrophobicContact CD2-CG1 4.17Å; Y65-V99 HydrophobicContact CE1-CG1 4.14Å; Y65-V99 HydrophobicContact CE2-CB 4.34Å; Y65-V99 HydrophobicContact CE2-CG1 4.02Å; Y65-V99 HydrophobicContact CG-CG1 4.29Å; L95-V99 HydrophobicContact CD1-CG2 4.41Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 2.63Å; A96-V99 WeakPolarHBondContact O-CB 3.42Å; A96-V99 PolarHBondContact O-N 2.95Å; A96-V99 VanDerWaalsContact O-N 3.17Å; V99-G102 PolarHBondContact O-N 2.95Å; V99-C103 PolarHBondContact O-N 3.5Å; V99-C103 PolarHBondContact O-SG 2.89Å; V99-I132 HydrophobicContact CB-CD1 4.34Å; V99-I132 HydrophobicContact CG2-CD1 3.51Å; V99-V142 HydrophobicContact CG1-CG1 4.37Å
100	H	94.6	Very high	92.5	Very high	44 Å²	44	63 Å²	63	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-54.9	-177.5	-174.6	88.5	0	0	0	111.5	Y65 A96 E97 G102 C103 V104 E146	Y65-H100 PolarHBondContact OH-ND1 3.37Å; A96-H100 PolarHBondContact O-N 3.31Å; E97-H100 PolarHBondContact O-N 3.3Å; H100-G102 VanDerWaalsContact C-N 3.28Å; H100-G102 PolarHBondContact O-N 2.95Å; H100-C103 WeakPolarHBondContact O-CB 3.35Å; H100-C103 PolarHBondContact O-N 2.85Å; H100-V104 WeakPolarHBondContact O-CG2 3.3Å; H100-V104 PolarHBondContact O-N 2.99Å; H100-E146 IonicContact CE1-OE1 2.81Å; H100-E146 PolarHBondContact CE1-OE1 3Å; H100-E146 VanDerWaalsContact CE1-OE1 3.25Å; H100-E146 IonicContact ND1-OE1 2.96Å; H100-E146 PolarHBondContact ND1-OE1 2.84Å; H100-E146 IonicContact ND1-OE2 3.06Å
101	N	94.3	Very high	91.3	Very high	89 Å²	89	62.1 Å²	62.1	48%	0.476	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-37.7	178.4	-71.3	-51.8	0	0	0	112	E97 V104 R105	E97-N101 WeakPolarHBondContact O-CB 3.33Å; E97-N101 VanDerWaalsContact O-CG 3.3Å; E97-N101 PolarHBondContact O-N 3.21Å; E97-N101 PolarHBondContact O-ND2 3.19Å; N101-V104 PolarHBondContact O-N 3.3Å; N101-R105 WeakPolarHBondContact O-CB 3.39Å; N101-R105 PolarHBondContact O-N 3.26Å
102	G	93.9	Very high	89.1	Confident	5 Å²	5	63.9 Å²	63.9	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-40.4	173.7	0	0	0	0	0	112.6	T98 V99 H100 T106 F130	T98-G102 WeakPolarHBondContact O-CA 3.26Å; T98-G102 PolarHBondContact O-N 2.78Å; V99-G102 PolarHBondContact O-N 2.95Å; H100-G102 VanDerWaalsContact C-N 3.28Å; H100-G102 PolarHBondContact O-N 2.95Å; G102-T106 WeakPolarHBondContact O-CB 3.28Å; G102-T106 PolarHBondContact O-N 2.82Å; G102-T106 PolarHBondContact O-OG1 3.15Å; G102-F130 VanDerWaalsContact C-CE1 3.5Å; G102-F130 VanDerWaalsContact C-CZ 3.46Å
103	C	93.9	Very high	87.2	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-49.6	174.8	-66.8	0	0	0	0	112	V99 H100 T106 L107 F130 A139 I143	V99-C103 PolarHBondContact O-N 3.5Å; V99-C103 PolarHBondContact O-SG 2.89Å; H100-C103 WeakPolarHBondContact O-CB 3.35Å; H100-C103 PolarHBondContact O-N 2.85Å; C103-T106 PolarHBondContact O-N 3.36Å; C103-L107 WeakPolarHBondContact O-CG 3.3Å; C103-L107 PolarHBondContact O-N 3.49Å; C103-F130 HydrophobicContact CB-CE1 4.4Å; C103-F130 VanDerWaalsContact SG-CE1 3.6Å; C103-A139 HydrophobicContact CB-CB 4.06Å; C103-I143 HydrophobicContact CB-CD1 3.87Å; C103-I143 HydrophobicContact CB-CG1 3.86Å
104	V	92.4	Very high	85	Confident	67 Å²	67	66.9 Å²	66.9	41%	0.406	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-47	179.6	174.5	0	0	0	0	111.2	H100 N101 T106 L107 R108	H100-V104 WeakPolarHBondContact O-CG2 3.3Å; H100-V104 PolarHBondContact O-N 2.99Å; N101-V104 PolarHBondContact O-N 3.3Å; V104-T106 PolarHBondContact O-N 3.38Å; V104-L107 PolarHBondContact O-N 2.95Å; V104-R108 WeakPolarHBondContact O-CB 3.27Å; V104-R108 PolarHBondContact O-N 3.45Å
105	R	92.7	Very high	82.4	Confident	123 Å²	123	68.5 Å²	68.5	46%	0.464	36%	0.363	S	S	.	.	H	α-helix	trans	-56.7	-50.3	174.8	-175	-171.1	-61	158	1.7	111	E48 N101 L107 R108 E109	E48-R105 IonicContact OE1-NH1 3.6Å; E48-R105 PolarHBondContact OE1-NH1 3.03Å; N101-R105 WeakPolarHBondContact O-CB 3.39Å; N101-R105 PolarHBondContact O-N 3.26Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 2.94Å; R105-R108 PolarHBondContact O-N 2.92Å; R105-E109 HydrophobicContact CG-CG 4.49Å; R105-E109 WeakPolarHBondContact CG-OE1 3.24Å; R105-E109 WeakPolarHBondContact O-CB 3.2Å; R105-E109 WeakPolarHBondContact O-CG 3.38Å; R105-E109 PolarHBondContact O-N 3.31Å
106	T	92.4	Very high	80.3	Confident	10 Å²	10	78.4 Å²	78.4	6%	0.061	41%	0.406	C	S	.	.	H	α-helix	trans	-60.2	-38.4	-179.1	-62.3	0	0	0	0	112.9	G102 C103 V104 N110 P128 F130 A139	G102-T106 WeakPolarHBondContact O-CB 3.28Å; G102-T106 PolarHBondContact O-N 2.82Å; G102-T106 PolarHBondContact O-OG1 3.15Å; C103-T106 PolarHBondContact O-N 3.36Å; V104-T106 PolarHBondContact O-N 3.38Å; T106-N110 WeakPolarHBondContact O-CB 3.5Å; T106-N110 PolarHBondContact O-N 2.77Å; T106-N110 VanDerWaalsContact O-N 3.1Å; T106-N110 PolarHBondContact O-ND2 2.97Å; T106-P128 HydrophobicContact CG2-CB 3.83Å; T106-F130 HydrophobicContact CG2-CD1 4.36Å; T106-F130 WeakPolarHBondContact OG1-CB 3.21Å; T106-F130 WeakPolarHBondContact OG1-CD1 3.4Å; T106-F130 WeakPolarHBondContact OG1-CG 3.17Å; T106-A139 HydrophobicContact CG2-CB 3.6Å
107	L	89.5	Confident	78	Confident	48 Å²	48	84.1 Å²	84.1	25%	0.251	44%	0.441	S	S	.	.	H	α-helix	trans	-76.2	-35.3	177	-67.8	173.7	0	0	0	112.3	C103 V104 R105 E109 N110 P111 P128 A139 K140 I143	C103-L107 WeakPolarHBondContact O-CG 3.3Å; C103-L107 PolarHBondContact O-N 3.49Å; V104-L107 PolarHBondContact O-N 2.95Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 2.94Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-N110 CarbonylContact O-C 3.58Å; L107-N110 PolarHBondContact O-N 3.31Å; L107-P111 WeakPolarHBondContact O-CA 3.38Å; L107-P111 VanDerWaalsContact O-N 3.1Å; L107-P128 HydrophobicContact CD2-CG 3.86Å; L107-A139 HydrophobicContact CD2-CB 4.35Å; L107-A139 HydrophobicContact CG-CB 4.08Å; L107-K140 HydrophobicContact CD2-CB 4.14Å; L107-I143 HydrophobicContact CD1-CB 4.06Å; L107-I143 HydrophobicContact CD1-CG1 3.72Å; L107-I143 HydrophobicContact CD1-CG2 4.38Å
108	R	89.2	Confident	75.3	Confident	215 Å²	215	85.5 Å²	85.5	81%	0.811	46%	0.46	S	S	*	.	H	α-helix	trans	-68.1	-32.2	173.9	-173.6	175.7	-176.8	-101.9	2.1	112.7	V104 R105 P111	V104-R108 WeakPolarHBondContact O-CB 3.27Å; V104-R108 PolarHBondContact O-N 3.45Å; R105-R108 PolarHBondContact O-N 2.92Å; R108-P111 WeakPolarHBondContact O-CD 3.38Å
109	E	86.1	Confident	73.1	Confident	132 Å²	132	88.9 Å²	88.9	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-80.5	-20.5	174.2	-71.3	170.2	-173.5	0	0	112.9	R105 L107 P111	R105-E109 HydrophobicContact CG-CG 4.49Å; R105-E109 WeakPolarHBondContact CG-OE1 3.24Å; R105-E109 WeakPolarHBondContact O-CB 3.2Å; R105-E109 WeakPolarHBondContact O-CG 3.38Å; R105-E109 PolarHBondContact O-N 3.31Å; L107-E109 VanDerWaalsContact C-N 3.34Å; E109-P111 VanDerWaalsContact C-CD 3.41Å
110	N	80.9	Confident	70.8	Confident	87 Å²	87	91.7 Å²	91.7	47%	0.465	53%	0.529	S	S	.	.	S	Bend	trans	-128.4	58.9	177.1	-58.3	-101.6	0	0	0	111.2	T106 L107 P128	T106-N110 WeakPolarHBondContact O-CB 3.5Å; T106-N110 PolarHBondContact O-N 2.77Å; T106-N110 VanDerWaalsContact O-N 3.1Å; T106-N110 PolarHBondContact O-ND2 2.97Å; L107-N110 CarbonylContact O-C 3.58Å; L107-N110 PolarHBondContact O-N 3.31Å; N110-P128 HydrophobicContact CB-CB 3.88Å; N110-P128 HydrophobicContact CB-CG 4.42Å
111	P	65.8	Low	68.3	Low	112 Å²	112	101.5 Å²	101.5	73%	0.727	56%	0.564	S	S	*	*			trans	-77.6	-24.8	-173.7	32.4	-35.3	0	0	0	112.2	L107 R108 E109	L107-P111 WeakPolarHBondContact O-CA 3.38Å; L107-P111 VanDerWaalsContact O-N 3.1Å; R108-P111 WeakPolarHBondContact O-CD 3.38Å; E109-P111 VanDerWaalsContact C-CD 3.41Å
112	C	47.5	Very low	66.1	Low	85 Å²	85	109.6 Å²	109.6	57%	0.574	59%	0.588	S	S	*	*	S	Bend	trans	-82.3	150.9	173.6	-158.7	0	0	0	0	110.9	E115	C112-E115 HydrophobicContact CB-CG 4.42Å
113	G	54.8	Low	64	Low	53 Å²	53	111.9 Å²	111.9	55%	0.546	61%	0.612	S	S	.	*	S	Bend	trans	-62.1	179.2	160.6	0	0	0	0	0	111.5	E115	G113-E115 PolarHBondContact O-N 3.26Å
114	P	48.3	Very low	62	Low	115 Å²	115	122.3 Å²	122.3	75%	0.747	66%	0.657	S	S	*	*			trans	-62	98	-176.5	26.3	-34.8	0	0	0	111.7
115	E	41.4	Very low	60.1	Low	145 Å²	145	124.7 Å²	124.7	68%	0.678	67%	0.671	S	S	*	*			trans	-56.8	152	168.4	-84.4	-113	82.7	0	0	110.7	C112 G113 T117	C112-E115 HydrophobicContact CB-CG 4.42Å; G113-E115 PolarHBondContact O-N 3.26Å; E115-T117 PolarHBondContact O-N 3.23Å
116	K	51	Low	58.9	Low	209 Å²	209	125.7 Å²	125.7	91%	0.909	68%	0.679	S	S	*	*	S	Bend	trans	-82.6	45.3	-158.2	-62.3	169.2	-174.6	165.1	0	113
117	T	44.8	Very low	58.2	Low	120 Å²	120	126.3 Å²	126.3	74%	0.736	69%	0.688	S	S	*	*			trans	-112.1	33.1	-163.8	-27.9	0	0	0	0	113.8	E115	E115-T117 PolarHBondContact O-N 3.23Å
118	S	39.7	Very low	58.3	Low	110 Å²	110	125.7 Å²	125.7	77%	0.769	69%	0.687	S	S	*	*			trans	-171.6	124.5	149.4	38.2	0	0	0	0	112.5	G120	S118-G120 PolarHBondContact O-N 2.8Å
119	G	46.6	Very low	58.4	Low	98 Å²	98	117.7 Å²	117.7	100%	1.01	66%	0.662	S	S	*	*			trans	-75.9	83.4	170.8	0	0	0	0	0	111.4
120	G	46.3	Very low	58.7	Low	59 Å²	59	112.7 Å²	112.7	61%	0.608	64%	0.638	S	S	*	*			trans	-155.4	77.3	-170.2	0	0	0	0	0	116.3	S118	S118-G120 PolarHBondContact O-N 2.8Å
121	R	43.6	Very low	59.2	Low	250 Å²	250	115 Å²	115	94%	0.943	64%	0.64	S	S	*	*			trans	62.6	120	171.4	-50.6	-177.9	-170.1	-125.6	1.3	115.6	G123	R121-G123 PolarHBondContact O-N 3.34Å
122	R	47.3	Very low	60.5	Low	258 Å²	258	109.6 Å²	109.6	97%	0.974	61%	0.605	S	S	*	*			trans	-71.9	72.4	169.2	-70.5	-176.4	177.1	179.5	-1.6	111.8
123	G	49.7	Very low	62.4	Low	53 Å²	53	106.2 Å²	106.2	55%	0.546	58%	0.582	S	S	.	*			trans	-72.8	168.5	161	0	0	0	0	0	111.4	R121 V125	R121-G123 PolarHBondContact O-N 3.34Å; G123-V125 PolarHBondContact O-N 3.13Å
124	K	52.5	Low	63.9	Low	219 Å²	219	104.2 Å²	104.2	95%	0.952	56%	0.562	S	S	*	*			trans	-61.5	100.9	163.3	-95.5	-178.8	175.1	174.8	0	108	K126	K124-K126 PolarHBondContact O-N 3.1Å
125	V	52.6	Low	66	Low	117 Å²	117	99.1 Å²	99.1	71%	0.709	53%	0.529	S	S	*	.			trans	-63.8	106.4	174.9	-177.5	0	0	0	0	107.4	G123 G127	G123-V125 PolarHBondContact O-N 3.13Å; V125-G127 PolarHBondContact O-N 3.28Å
126	K	67.8	Low	68.5	Low	144 Å²	144	97 Å²	97	63%	0.626	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-55.2	133.5	167.9	-95.6	-177.1	168.6	179.8	0	107.4	K124	K124-K126 PolarHBondContact O-N 3.1Å
127	G	77.6	Confident	70.6	Confident	24 Å²	24	87.1 Å²	87.1	25%	0.247	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-57.5	166	171.9	0	0	0	0	0	111.6	V125 T129	V125-G127 PolarHBondContact O-N 3.28Å; G127-T129 WeakPolarHBondContact O-CG2 3.47Å; G127-T129 PolarHBondContact O-N 2.86Å
128	P	90.3	Very high	72.9	Confident	34 Å²	34	83.8 Å²	83.8	22%	0.221	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-58.9	125.6	-174.4	27.6	-36.4	0	0	0	110.3	T106 L107 N110 A139 K140	T106-P128 HydrophobicContact CG2-CB 3.83Å; L107-P128 HydrophobicContact CD2-CG 3.86Å; N110-P128 HydrophobicContact CB-CB 3.88Å; N110-P128 HydrophobicContact CB-CG 4.42Å; P128-A139 PolarHBondContact O-N 3.29Å; P128-K140 HydrophobicContact CG-CB 4.47Å
129	T	92.3	Very high	75.5	Confident	48 Å²	48	78.6 Å²	78.6	29%	0.294	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.2	-173.6	67.8	0	0	0	0	112	G127 Q136 V137 N138	G127-T129 WeakPolarHBondContact O-CG2 3.47Å; G127-T129 PolarHBondContact O-N 2.86Å; T129-Q136 HydrophobicContact CG2-CG 4.07Å; T129-Q136 PolarHBondContact OG1-NE2 3.01Å; T129-V137 CarbonylContact C-O 3.39Å; T129-V137 WeakPolarHBondContact CA-O 3.38Å; T129-V137 WeakPolarHBondContact CB-O 3.46Å; T129-N138 HydrophobicContact CG2-CB 4.1Å
130	F	92.9	Very high	77.7	Confident	27 Å²	27	80.5 Å²	80.5	12%	0.118	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-175.9	168.8	66.1	-71.6	0	0	0	110.8	G102 C103 T106 I132 Q136 V137 A139	G102-F130 VanDerWaalsContact C-CE1 3.5Å; G102-F130 VanDerWaalsContact C-CZ 3.46Å; C103-F130 HydrophobicContact CB-CE1 4.4Å; C103-F130 VanDerWaalsContact SG-CE1 3.6Å; T106-F130 HydrophobicContact CG2-CD1 4.36Å; T106-F130 WeakPolarHBondContact OG1-CB 3.21Å; T106-F130 WeakPolarHBondContact OG1-CD1 3.4Å; T106-F130 WeakPolarHBondContact OG1-CG 3.17Å; F130-I132 HydrophobicContact CD2-CG1 4.03Å; F130-I132 HydrophobicContact CE2-CD1 3.7Å; F130-I132 HydrophobicContact CE2-CG1 3.45Å; F130-I132 VanDerWaalsContact CE2-CG1 3.45Å; F130-I132 HydrophobicContact CZ-CD1 4.14Å; F130-I132 HydrophobicContact CZ-CG1 4.31Å; F130-Q136 WeakPolarHBondContact O-CA 3.39Å; F130-V137 HydrophobicContact CD1-CB 4.21Å; F130-V137 HydrophobicContact CE1-CB 3.71Å; F130-V137 HydrophobicContact CE1-CG1 3.67Å; F130-V137 HydrophobicContact CE2-CB 4.42Å; F130-V137 HydrophobicContact CZ-CB 3.84Å; F130-V137 HydrophobicContact CZ-CG1 3.84Å; F130-V137 HydrophobicContact CZ-CG2 4.39Å; F130-V137 PolarHBondContact N-O 3.32Å; F130-V137 VanDerWaalsContact N-O 3.13Å; F130-V137 PolarHBondContact O-N 3.44Å; F130-A139 HydrophobicContact CD1-CB 4.29Å; F130-A139 HydrophobicContact CE1-CB 4.23Å
131	R	91.6	Very high	80	Confident	134 Å²	134	81.4 Å²	81.4	51%	0.506	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.4	177.6	-61.1	-173.8	72.2	166.2	7.3	111.8	G134 V135	R131-G134 PolarHBondContact NH2-O 2.82Å; R131-V135 CarbonylContact C-O 3.38Å; R131-V135 WeakPolarHBondContact CA-O 3.44Å; R131-V135 WeakPolarHBondContact CB-O 3.48Å
132	I	91.3	Very high	82.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.9	168.9	-54.7	179.8	0	0	0	106.2	I50 I58 T98 V99 F130 G134 V135 V137	I50-I132 HydrophobicContact CD1-CG2 3.36Å; I50-I132 HydrophobicContact CG1-CG2 3.98Å; I58-I132 HydrophobicContact CD1-CG2 4.33Å; I58-I132 HydrophobicContact CG2-CB 4.38Å; I58-I132 HydrophobicContact CG2-CG2 4.26Å; T98-I132 HydrophobicContact CG2-CG2 4.49Å; V99-I132 HydrophobicContact CB-CD1 4.34Å; V99-I132 HydrophobicContact CG2-CD1 3.51Å; F130-I132 HydrophobicContact CD2-CG1 4.03Å; F130-I132 HydrophobicContact CE2-CD1 3.7Å; F130-I132 HydrophobicContact CE2-CG1 3.45Å; F130-I132 VanDerWaalsContact CE2-CG1 3.45Å; F130-I132 HydrophobicContact CZ-CD1 4.14Å; F130-I132 HydrophobicContact CZ-CG1 4.31Å; I132-G134 PolarHBondContact O-N 2.92Å; I132-V135 PolarHBondContact N-O 3Å; I132-V135 PolarHBondContact O-N 2.69Å; I132-V137 HydrophobicContact CD1-CG2 3.98Å; I132-V137 HydrophobicContact CG1-CG2 4.18Å
133	S	87.5	Confident	84.6	Confident	13 Å²	13	58.4 Å²	58.4	9%	0.091	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	-106.4	-171.5	-59.3	0	0	0	0	112.6	E48 I50	E48-S133 PolarHBondContact O-N 3.28Å; E48-S133 PolarHBondContact O-OG 3.35Å; I50-S133 PolarHBondContact N-OG 3.28Å
134	G	87.5	Confident	86.7	Confident	11 Å²	11	57.9 Å²	57.9	11%	0.113	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-16.3	170.2	0	0	0	0	0	115.1	D55 R131 I132	D55-G134 VanDerWaalsContact OD1-CA 3.26Å; D55-G134 WeakPolarHBondContact OD1-CA 3.38Å; D55-G134 PolarHBondContact OD1-N 2.85Å; D55-G134 VanDerWaalsContact OD2-CA 3.28Å; D55-G134 WeakPolarHBondContact OD2-CA 3.22Å; R131-G134 PolarHBondContact NH2-O 2.82Å; I132-G134 PolarHBondContact O-N 2.92Å
135	V	92.9	Very high	88.7	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.6	-175	-173	0	0	0	0	111.8	D55 I58 R59 R131 I132 V137	D55-V135 HydrophobicContact CB-CG2 4.13Å; D55-V135 VanDerWaalsContact O-CG2 3.32Å; D55-V135 WeakPolarHBondContact O-CG2 3.37Å; I58-V135 HydrophobicContact CB-CG2 3.89Å; I58-V135 HydrophobicContact CG2-CB 4Å; I58-V135 HydrophobicContact CG2-CG1 4.35Å; I58-V135 HydrophobicContact CG2-CG2 3.68Å; R59-V135 HydrophobicContact CG-CG1 3.69Å; R59-V135 HydrophobicContact CG-CG2 3.95Å; R131-V135 CarbonylContact C-O 3.38Å; R131-V135 WeakPolarHBondContact CA-O 3.44Å; R131-V135 WeakPolarHBondContact CB-O 3.48Å; I132-V135 PolarHBondContact N-O 3Å; I132-V135 PolarHBondContact O-N 2.69Å; V135-V137 HydrophobicContact CG1-CG2 4.41Å
136	Q	93.3	Very high	90.7	Very high	99 Å²	99	46 Å²	46	46%	0.463	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.6	170	-179.2	178.9	49.2	0	0	109.7	T129 F130	T129-Q136 HydrophobicContact CG2-CG 4.07Å; T129-Q136 PolarHBondContact OG1-NE2 3.01Å; F130-Q136 WeakPolarHBondContact O-CA 3.39Å
137	V	94.4	Very high	91.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.6	179.4	-178.2	0	0	0	0	109.4	V62 T129 F130 I132 V135 V142	V62-V137 HydrophobicContact CG1-CG1 4.13Å; V62-V137 HydrophobicContact CG1-CG2 4.27Å; V62-V137 HydrophobicContact CG2-CG2 4.24Å; T129-V137 CarbonylContact C-O 3.39Å; T129-V137 WeakPolarHBondContact CA-O 3.38Å; T129-V137 WeakPolarHBondContact CB-O 3.46Å; F130-V137 HydrophobicContact CD1-CB 4.21Å; F130-V137 HydrophobicContact CE1-CB 3.71Å; F130-V137 HydrophobicContact CE1-CG1 3.67Å; F130-V137 HydrophobicContact CE2-CB 4.42Å; F130-V137 HydrophobicContact CZ-CB 3.84Å; F130-V137 HydrophobicContact CZ-CG1 3.84Å; F130-V137 HydrophobicContact CZ-CG2 4.39Å; F130-V137 PolarHBondContact N-O 3.32Å; F130-V137 VanDerWaalsContact N-O 3.13Å; F130-V137 PolarHBondContact O-N 3.44Å; I132-V137 HydrophobicContact CD1-CG2 3.98Å; I132-V137 HydrophobicContact CG1-CG2 4.18Å; V135-V137 HydrophobicContact CG1-CG2 4.41Å; V137-V142 HydrophobicContact CG1-CG2 3.78Å
138	N	94.2	Very high	92.7	Very high	51 Å²	51	49.2 Å²	49.2	27%	0.273	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.8	176	176.6	1.3	0	0	0	109.4	T129 K140 L141 V142	T129-N138 HydrophobicContact CG2-CB 4.1Å; N138-K140 VanDerWaalsContact C-N 3.33Å; N138-K140 PolarHBondContact O-N 3.31Å; N138-K140 PolarHBondContact OD1-N 2.97Å; N138-L141 HydrophobicContact CB-CB 4.07Å; N138-L141 WeakPolarHBondContact ND2-CB 3.13Å; N138-L141 PolarHBondContact O-N 3.2Å; N138-L141 VanDerWaalsContact O-N 3.11Å; N138-L141 PolarHBondContact OD1-N 3.3Å; N138-V142 PolarHBondContact O-N 2.63Å; N138-V142 VanDerWaalsContact O-N 3.15Å
139	A	94.5	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-44.3	-172.1	0	0	0	0	0	112.2	C103 T106 L107 P128 F130 L141 V142 I143	C103-A139 HydrophobicContact CB-CB 4.06Å; T106-A139 HydrophobicContact CG2-CB 3.6Å; L107-A139 HydrophobicContact CD2-CB 4.35Å; L107-A139 HydrophobicContact CG-CB 4.08Å; P128-A139 PolarHBondContact O-N 3.29Å; F130-A139 HydrophobicContact CD1-CB 4.29Å; F130-A139 HydrophobicContact CE1-CB 4.23Å; A139-L141 VanDerWaalsContact C-N 3.28Å; A139-L141 PolarHBondContact O-N 3.06Å; A139-V142 PolarHBondContact O-N 3.29Å; A139-I143 PolarHBondContact O-N 3.24Å; A139-I143 VanDerWaalsContact O-N 3.08Å
140	K	92.3	Very high	93.1	Very high	138 Å²	138	47.4 Å²	47.4	60%	0.6	23%	0.234	S	C	*	.	H	α-helix	trans	-62.8	-33.3	179.2	-175.8	161.6	-176.3	160.9	0	112.8	L107 P128 N138 S144	L107-K140 HydrophobicContact CD2-CB 4.14Å; P128-K140 HydrophobicContact CG-CB 4.47Å; N138-K140 VanDerWaalsContact C-N 3.33Å; N138-K140 PolarHBondContact O-N 3.31Å; N138-K140 PolarHBondContact OD1-N 2.97Å; K140-S144 WeakPolarHBondContact O-CB 3.4Å; K140-S144 PolarHBondContact O-N 3.4Å; K140-S144 VanDerWaalsContact O-N 3.09Å
141	L	93.4	Very high	93.2	Very high	78 Å²	78	47.1 Å²	47.1	41%	0.408	24%	0.235	S	C	.	.	H	α-helix	trans	-77.5	-31	178.3	-177.8	63.4	0	0	0	112.8	N138 A139 H145	N138-L141 HydrophobicContact CB-CB 4.07Å; N138-L141 WeakPolarHBondContact ND2-CB 3.13Å; N138-L141 PolarHBondContact O-N 3.2Å; N138-L141 VanDerWaalsContact O-N 3.11Å; N138-L141 PolarHBondContact OD1-N 3.3Å; A139-L141 VanDerWaalsContact C-N 3.28Å; A139-L141 PolarHBondContact O-N 3.06Å; L141-H145 PolarHBondContact O-CD2 3.1Å
142	V	94.8	Very high	93.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-54.1	175	175.7	0	0	0	0	109.9	Y65 K66 V99 V137 N138 A139 S144 H145 E146	Y65-V142 HydrophobicContact CD1-CG1 3.79Å; Y65-V142 HydrophobicContact CE1-CG1 3.44Å; Y65-V142 VanDerWaalsContact CE1-CG1 3.44Å; K66-V142 HydrophobicContact CD-CG2 4.08Å; K66-V142 HydrophobicContact CG-CG2 4.18Å; V99-V142 HydrophobicContact CG1-CG1 4.37Å; V137-V142 HydrophobicContact CG1-CG2 3.78Å; N138-V142 PolarHBondContact O-N 2.63Å; N138-V142 VanDerWaalsContact O-N 3.15Å; A139-V142 PolarHBondContact O-N 3.29Å; V142-S144 PolarHBondContact O-N 3.31Å; V142-H145 PolarHBondContact O-N 3.42Å; V142-E146 PolarHBondContact O-N 2.86Å; V142-E146 VanDerWaalsContact O-N 3.09Å
143	I	93.8	Very high	93.5	Very high	23 Å²	23	43 Å²	43	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-36.7	-177.8	-60	-56.8	0	0	0	111.9	C103 L107 A139 H145 E146 E147	C103-I143 HydrophobicContact CB-CD1 3.87Å; C103-I143 HydrophobicContact CB-CG1 3.86Å; L107-I143 HydrophobicContact CD1-CB 4.06Å; L107-I143 HydrophobicContact CD1-CG1 3.72Å; L107-I143 HydrophobicContact CD1-CG2 4.38Å; A139-I143 PolarHBondContact O-N 3.24Å; A139-I143 VanDerWaalsContact O-N 3.08Å; I143-H145 VanDerWaalsContact C-N 3.26Å; I143-H145 PolarHBondContact O-N 3.13Å; I143-E146 WeakPolarHBondContact O-CB 3.43Å; I143-E146 PolarHBondContact O-N 3.03Å; I143-E146 VanDerWaalsContact O-N 3.11Å; I143-E147 HydrophobicContact CG2-CG 4.12Å; I143-E147 WeakPolarHBondContact O-CB 3.46Å; I143-E147 WeakPolarHBondContact O-CG 3.42Å; I143-E147 PolarHBondContact O-N 3Å
144	S	93.7	Very high	93.8	Very high	43 Å²	43	49 Å²	49	30%	0.301	25%	0.246	S	C	.	.	H	α-helix	trans	-57.4	-37.1	175.1	-170.3	0	0	0	0	112.9	K140 V142 E148	K140-S144 WeakPolarHBondContact O-CB 3.4Å; K140-S144 PolarHBondContact O-N 3.4Å; K140-S144 VanDerWaalsContact O-N 3.09Å; V142-S144 PolarHBondContact O-N 3.31Å; S144-E148 WeakPolarHBondContact O-CB 3.27Å; S144-E148 WeakPolarHBondContact O-CG 3.38Å; S144-E148 PolarHBondContact O-N 3.35Å
145	H	94.3	Very high	94	Very high	48 Å²	48	49.5 Å²	49.5	22%	0.222	25%	0.248	C	C	.	.	H	α-helix	trans	-79.3	-32.9	176	-68.6	-45.5	0	0	0	112.6	K66 L141 V142 I143 E147 E148 L149	K66-H145 HydrophobicContact CB-CB 4.39Å; L141-H145 PolarHBondContact O-CD2 3.1Å; V142-H145 PolarHBondContact O-N 3.42Å; I143-H145 VanDerWaalsContact C-N 3.26Å; I143-H145 PolarHBondContact O-N 3.13Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E148 IonicContact CE1-OE2 3.85Å; H145-E148 IonicContact CG-OE2 3.78Å; H145-E148 IonicContact ND1-OE2 2.69Å; H145-E148 PolarHBondContact ND1-OE2 3.35Å; H145-E148 PolarHBondContact O-N 2.76Å; H145-L149 WeakPolarHBondContact O-CB 3.45Å; H145-L149 VanDerWaalsContact O-CG 3.31Å; H145-L149 WeakPolarHBondContact O-CG 3.49Å; H145-L149 PolarHBondContact O-N 2.8Å
146	E	93.9	Very high	94	Very high	37 Å²	37	49.4 Å²	49.4	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-42.5	173	-156.6	172.3	121.9	0	0	110.6	Y65 P71 H100 V142 I143 A150	Y65-E146 VanDerWaalsContact CE1-OE2 3.31Å; Y65-E146 WeakPolarHBondContact CE1-OE2 3.37Å; Y65-E146 PolarHBondContact OH-OE2 3.49Å; P71-E146 HydrophobicContact CG-CG 4.32Å; H100-E146 IonicContact CE1-OE1 2.81Å; H100-E146 PolarHBondContact CE1-OE1 3Å; H100-E146 VanDerWaalsContact CE1-OE1 3.25Å; H100-E146 IonicContact ND1-OE1 2.96Å; H100-E146 PolarHBondContact ND1-OE1 2.84Å; H100-E146 IonicContact ND1-OE2 3.06Å; V142-E146 PolarHBondContact O-N 2.86Å; V142-E146 VanDerWaalsContact O-N 3.09Å; I143-E146 WeakPolarHBondContact O-CB 3.43Å; I143-E146 PolarHBondContact O-N 3.03Å; I143-E146 VanDerWaalsContact O-N 3.11Å; E146-A150 WeakPolarHBondContact O-CB 3.26Å; E146-A150 PolarHBondContact O-N 3.08Å
147	E	94	Very high	93.9	Very high	136 Å²	136	46.1 Å²	46.1	64%	0.636	24%	0.235	S	C	*	.	H	α-helix	trans	-67	-44.6	172.7	-71.7	174.8	176.3	0	0	113	I143 H145 L149 A150 P151	I143-E147 HydrophobicContact CG2-CG 4.12Å; I143-E147 WeakPolarHBondContact O-CB 3.46Å; I143-E147 WeakPolarHBondContact O-CG 3.42Å; I143-E147 PolarHBondContact O-N 3Å; H145-E147 VanDerWaalsContact C-N 3.33Å; E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 2.7Å; E147-A150 PolarHBondContact O-N 3.38Å; E147-P151 WeakPolarHBondContact O-CD 3.38Å
148	E	94.6	Very high	93.7	Very high	100 Å²	100	49.8 Å²	49.8	47%	0.467	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-35.2	177.5	-81	165.7	172.5	0	0	112.5	S144 H145 P151 I238	S144-E148 WeakPolarHBondContact O-CB 3.27Å; S144-E148 WeakPolarHBondContact O-CG 3.38Å; S144-E148 PolarHBondContact O-N 3.35Å; H145-E148 IonicContact CE1-OE2 3.85Å; H145-E148 IonicContact CG-OE2 3.78Å; H145-E148 IonicContact ND1-OE2 2.69Å; H145-E148 PolarHBondContact ND1-OE2 3.35Å; H145-E148 PolarHBondContact O-N 2.76Å; E148-P151 WeakPolarHBondContact O-CD 3.48Å; E148-I238 WeakPolarHBondContact O-CG2 3.44Å
149	L	96.1	Very high	93.6	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-94.8	-11.5	-177.8	-62	174.9	0	0	0	113.9	K67 H145 E147 P151 L152 H153 Y198 I238	K67-L149 VanDerWaalsContact O-CD1 3.27Å; K67-L149 WeakPolarHBondContact O-CD1 3.36Å; H145-L149 WeakPolarHBondContact O-CB 3.45Å; H145-L149 VanDerWaalsContact O-CG 3.31Å; H145-L149 WeakPolarHBondContact O-CG 3.49Å; H145-L149 PolarHBondContact O-N 2.8Å; E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 2.7Å; L149-P151 VanDerWaalsContact C-CD 3.42Å; L149-P151 VanDerWaalsContact C-N 3.34Å; L149-L152 WeakPolarHBondContact O-CB 3.22Å; L149-L152 PolarHBondContact O-N 2.84Å; L149-H153 PolarHBondContact O-N 2.9Å; L149-Y198 HydrophobicContact CD2-CD2 4.01Å; L149-Y198 HydrophobicContact CD2-CG 4.33Å; L149-I238 HydrophobicContact CD2-CD1 4.03Å
150	A	94.4	Very high	93.4	Very high	36 Å²	36	54.5 Å²	54.5	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-54.5	-37.4	175.8	0	0	0	0	0	114.5	E146 E147 L152 H153 K154	E146-A150 WeakPolarHBondContact O-CB 3.26Å; E146-A150 PolarHBondContact O-N 3.08Å; E147-A150 PolarHBondContact O-N 3.38Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 3.42Å; A150-H153 PolarHBondContact O-N 2.92Å; A150-K154 WeakPolarHBondContact O-CB 3.4Å; A150-K154 WeakPolarHBondContact O-CG 3.15Å; A150-K154 PolarHBondContact O-N 3.02Å
151	P	94.8	Very high	93.3	Very high	21 Å²	21	53.6 Å²	53.6	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-32.3	173.9	-22.8	34.6	0	0	0	113.9	E147 E148 L149 A155 I238 L245	E147-P151 WeakPolarHBondContact O-CD 3.38Å; E148-P151 WeakPolarHBondContact O-CD 3.48Å; L149-P151 VanDerWaalsContact C-CD 3.42Å; L149-P151 VanDerWaalsContact C-N 3.34Å; P151-A155 WeakPolarHBondContact O-CB 3.48Å; P151-A155 PolarHBondContact O-N 3.35Å; P151-I238 HydrophobicContact CB-CG2 4.39Å; P151-L245 HydrophobicContact CB-CD1 4.29Å; P151-L245 WeakPolarHBondContact O-CD1 3.2Å
152	L	94.9	Very high	93.2	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-71.5	-48	175.3	-179.7	69.8	0	0	0	110.3	L149 A150 K154 A155 I156 L190 I193 I238 L241	L149-L152 WeakPolarHBondContact O-CB 3.22Å; L149-L152 PolarHBondContact O-N 2.84Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 3.42Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 PolarHBondContact O-N 2.95Å; L152-A155 PolarHBondContact O-N 3.12Å; L152-I156 HydrophobicContact CD1-CD1 4.15Å; L152-I156 HydrophobicContact CD1-CG1 3.61Å; L152-I156 HydrophobicContact CG-CG1 4.18Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 3.41Å; L152-I156 VanDerWaalsContact O-N 3.16Å; L152-L190 HydrophobicContact CD1-CB 3.98Å; L152-L190 HydrophobicContact CD1-CD2 3.64Å; L152-L190 HydrophobicContact CD1-CG 4.38Å; L152-I193 HydrophobicContact CD2-CB 4.08Å; L152-I193 HydrophobicContact CD2-CG2 3.44Å; L152-I193 VanDerWaalsContact CD2-CG2 3.44Å; L152-I238 HydrophobicContact CB-CG1 4.49Å; L152-L241 HydrophobicContact CD1-CD1 3.92Å
153	H	94.1	Very high	93.1	Very high	44 Å²	44	56.7 Å²	56.7	20%	0.204	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-42.9	176.7	174	107.2	0	0	0	111.9	G69 G70 E73 R74 L149 A150 A155	G69-H153 PolarHBondContact O-ND1 2.99Å; G70-H153 WeakPolarHBondContact CA-ND1 3.24Å; E73-H153 IonicContact OE2-CE1 2.68Å; E73-H153 PolarHBondContact OE2-CE1 3.48Å; E73-H153 IonicContact OE2-NE2 2.58Å; R74-H153 PolarHBondContact NH2-ND1 2.94Å; L149-H153 PolarHBondContact O-N 2.9Å; A150-H153 PolarHBondContact O-N 2.92Å; H153-A155 VanDerWaalsContact C-N 3.35Å; H153-A155 PolarHBondContact O-N 3.11Å
154	K	92.9	Very high	93	Very high	140 Å²	140	61.8 Å²	61.8	61%	0.609	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.2	177.3	-74.4	-178.6	173.2	-170.9	0	115.3	A150 L152 L245	A150-K154 WeakPolarHBondContact O-CB 3.4Å; A150-K154 WeakPolarHBondContact O-CG 3.15Å; A150-K154 PolarHBondContact O-N 3.02Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 PolarHBondContact O-N 2.95Å; K154-L245 HydrophobicContact CB-CD1 3.8Å; K154-L245 HydrophobicContact CD-CD1 4.47Å
155	A	92.6	Very high	92.8	Very high	20 Å²	20	67.3 Å²	67.3	17%	0.165	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-27.5	-171.5	0	0	0	0	0	114	P151 L152 H153 Y166 L241 L245	P151-A155 WeakPolarHBondContact O-CB 3.48Å; P151-A155 PolarHBondContact O-N 3.35Å; L152-A155 PolarHBondContact O-N 3.12Å; H153-A155 VanDerWaalsContact C-N 3.35Å; H153-A155 PolarHBondContact O-N 3.11Å; A155-Y166 WeakPolarHBondContact O-CE2 3.49Å; A155-L241 HydrophobicContact CB-CB 4.49Å; A155-L241 HydrophobicContact CB-CD1 4.02Å; A155-L241 HydrophobicContact CB-CD2 4.09Å; A155-L241 HydrophobicContact CB-CG 4.44Å; A155-L245 HydrophobicContact CB-CD1 4.46Å
156	I	92.8	Very high	92.8	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.041	33%	0.334	C	S	.	.	S	Bend	trans	-98.6	132.8	-176.5	-56.9	-70.8	0	0	0	109.6	L152 R163 Y166 L190 Y194	L152-I156 HydrophobicContact CD1-CD1 4.15Å; L152-I156 HydrophobicContact CD1-CG1 3.61Å; L152-I156 HydrophobicContact CG-CG1 4.18Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 3.41Å; L152-I156 VanDerWaalsContact O-N 3.16Å; I156-R163 HydrophobicContact CG2-CG 3.8Å; I156-Y166 HydrophobicContact CD1-CD1 3.42Å; I156-Y166 VanDerWaalsContact CD1-CD1 3.42Å; I156-Y166 HydrophobicContact CD1-CD2 4.09Å; I156-Y166 HydrophobicContact CD1-CE1 3.29Å; I156-Y166 HydrophobicContact CD1-CE2 3.96Å; I156-Y166 HydrophobicContact CD1-CG 3.82Å; I156-L190 HydrophobicContact CD1-CB 4.2Å; I156-Y194 HydrophobicContact CB-CD2 3.33Å; I156-Y194 HydrophobicContact CB-CE2 3.48Å; I156-Y194 VanDerWaalsContact CB-CE2 3.48Å; I156-Y194 HydrophobicContact CB-CG 4.2Å; I156-Y194 HydrophobicContact CG1-CD2 3.83Å; I156-Y194 HydrophobicContact CG1-CE2 4.44Å; I156-Y194 HydrophobicContact CG2-CD1 4.33Å; I156-Y194 HydrophobicContact CG2-CD2 3.37Å; I156-Y194 HydrophobicContact CG2-CE2 3.53Å; I156-Y194 HydrophobicContact CG2-CG 3.77Å
157	P	92.4	Very high	92.7	Very high	30 Å²	30	69.5 Å²	69.5	20%	0.195	35%	0.35	C	S	.	.			trans	-56.8	142.3	177.8	-27.5	35.8	0	0	0	114.8	E162 R163 Y166 Y194	P157-E162 HydrophobicContact CB-CB 3.58Å; P157-E162 HydrophobicContact CG-CB 3.76Å; P157-R163 PolarHBondContact O-NE 3.33Å; P157-Y166 HydrophobicContact CG-CD2 4.5Å; P157-Y194 PolarHBondContact O-OH 3.19Å
158	A	89.6	Confident	92.6	Very high	79 Å²	79	63 Å²	63	65%	0.653	32%	0.319	S	S	*	.	S	Bend	trans	-73.3	-28.8	169.7	0	0	0	0	0	112.2	R163 Y194	A158-R163 PolarHBondContact O-NH2 3.16Å; A158-Y194 WeakPolarHBondContact CA-OH 3.18Å
159	D	91.8	Very high	92.3	Very high	73 Å²	73	61.8 Å²	61.8	39%	0.39	32%	0.32	S	S	.	.	S	Bend	trans	-69.9	132.6	173.1	177.6	71.7	0	0	0	111.8	E161 E162 R163	D159-E161 PolarHBondContact O-N 3.36Å; D159-E161 WeakPolarHBondContact OD2-CA 3.2Å; D159-E161 WeakPolarHBondContact OD2-CB 3.38Å; D159-E161 PolarHBondContact OD2-N 3.14Å; D159-E162 HydrophobicContact CB-CB 4.22Å; D159-E162 HydrophobicContact CB-CG 4.27Å; D159-E162 PolarHBondContact OD2-N 3.14Å; D159-R163 WeakPolarHBondContact O-CB 3.42Å; D159-R163 PolarHBondContact O-N 3.04Å
160	P	90.4	Very high	91.7	Very high	77 Å²	77	62.3 Å²	62.3	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-33.3	-180	-23.8	35	0	0	0	115	K164	P160-K164 PolarHBondContact O-N 3.07Å
161	E	89.6	Confident	91.3	Very high	119 Å²	119	68.5 Å²	68.5	56%	0.556	35%	0.346	S	S	*	.	H	α-helix	trans	-78.2	-44.6	-178.6	-63.2	-165	-173.8	0	0	112.3	D159 R163 K164 R165	D159-E161 PolarHBondContact O-N 3.36Å; D159-E161 WeakPolarHBondContact OD2-CA 3.2Å; D159-E161 WeakPolarHBondContact OD2-CB 3.38Å; D159-E161 PolarHBondContact OD2-N 3.14Å; E161-R163 PolarHBondContact O-N 2.85Å; E161-K164 PolarHBondContact O-N 2.83Å; E161-R165 VanDerWaalsContact CB-NH2 3.28Å; E161-R165 WeakPolarHBondContact O-CG 3.28Å; E161-R165 PolarHBondContact O-N 3.14Å; E161-R165 PolarHBondContact O-NE 2.69Å; E161-R165 IonicContact OE2-CZ 2.95Å; E161-R165 IonicContact OE2-NH1 2.78Å; E161-R165 PolarHBondContact OE2-NH1 3.15Å; E161-R165 IonicContact OE2-NH2 3.62Å; E161-R165 PolarHBondContact OE2-NH2 3.21Å
162	E	91.6	Very high	91.1	Very high	114 Å²	114	68 Å²	68	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-34.2	171.6	-67.4	-162	152.4	0	0	111.1	P157 D159 R165 Y166	P157-E162 HydrophobicContact CB-CB 3.58Å; P157-E162 HydrophobicContact CG-CB 3.76Å; D159-E162 HydrophobicContact CB-CB 4.22Å; D159-E162 HydrophobicContact CB-CG 4.27Å; D159-E162 PolarHBondContact OD2-N 3.14Å; E162-R165 CarbonylContact O-C 3.55Å; E162-R165 PolarHBondContact O-N 3.11Å; E162-Y166 PolarHBondContact O-N 3.46Å
163	R	93.4	Very high	90.9	Very high	31 Å²	31	74.7 Å²	74.7	12%	0.117	37%	0.373	C	S	.	.	H	α-helix	trans	-65.9	-45.8	173.7	-173.6	-170	-52.6	146.8	8.5	112.2	I156 P157 A158 D159 E161 R165 Y166 I191 E195	I156-R163 HydrophobicContact CG2-CG 3.8Å; P157-R163 PolarHBondContact O-NE 3.33Å; A158-R163 PolarHBondContact O-NH2 3.16Å; D159-R163 WeakPolarHBondContact O-CB 3.42Å; D159-R163 PolarHBondContact O-N 3.04Å; E161-R163 PolarHBondContact O-N 2.85Å; R163-R165 PolarHBondContact O-N 2.97Å; R163-Y166 WeakPolarHBondContact O-CB 3.39Å; R163-Y166 PolarHBondContact O-N 3.07Å; R163-I191 HydrophobicContact CG-CG1 4.23Å; R163-I191 HydrophobicContact CG-CG2 3.84Å; R163-I191 WeakPolarHBondContact O-CD1 3.38Å; R163-E195 WeakPolarHBondContact CD-OE1 3.11Å; R163-E195 IonicContact CZ-OE1 2.64Å; R163-E195 IonicContact NE-OE1 2.73Å; R163-E195 IonicContact NH1-OE1 3.58Å; R163-E195 PolarHBondContact NH1-OE1 2.99Å
164	K	90.3	Very high	90.7	Very high	129 Å²	129	75.8 Å²	75.8	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-61.7	-26.4	173.5	-77.7	-169.2	173.1	-165.3	0	113	P160 E161 D209	P160-K164 PolarHBondContact O-N 3.07Å; E161-K164 PolarHBondContact O-N 2.83Å; K164-D209 WeakPolarHBondContact CE-OD2 3.46Å; K164-D209 IonicContact NZ-OD1 3.25Å; K164-D209 PolarHBondContact NZ-OD1 3.48Å; K164-D209 IonicContact NZ-OD2 3.25Å; K164-D209 PolarHBondContact NZ-OD2 3.02Å
165	R	90.9	Very high	90.6	Very high	160 Å²	160	69.9 Å²	69.9	60%	0.604	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	4.7	173.5	-62.8	-179.7	-67.2	-108.2	0.2	113.5	E161 E162 R163 M167	E161-R165 VanDerWaalsContact CB-NH2 3.28Å; E161-R165 WeakPolarHBondContact O-CG 3.28Å; E161-R165 PolarHBondContact O-N 3.14Å; E161-R165 PolarHBondContact O-NE 2.69Å; E161-R165 IonicContact OE2-CZ 2.95Å; E161-R165 IonicContact OE2-NH1 2.78Å; E161-R165 PolarHBondContact OE2-NH1 3.15Å; E161-R165 IonicContact OE2-NH2 3.62Å; E161-R165 PolarHBondContact OE2-NH2 3.21Å; E162-R165 CarbonylContact O-C 3.55Å; E162-R165 PolarHBondContact O-N 3.11Å; R163-R165 PolarHBondContact O-N 2.97Å; R165-M167 PolarHBondContact O-N 3.2Å
166	Y	93.6	Very high	90.6	Very high	30 Å²	30	76.9 Å²	76.9	12%	0.118	40%	0.395	C	S	.	.			trans	-70.9	129.3	-177	177.7	-91.1	0	0	0	111.4	A155 I156 P157 E162 R163 I168 P169 S187 I191 L241	A155-Y166 WeakPolarHBondContact O-CE2 3.49Å; I156-Y166 HydrophobicContact CD1-CD1 3.42Å; I156-Y166 VanDerWaalsContact CD1-CD1 3.42Å; I156-Y166 HydrophobicContact CD1-CD2 4.09Å; I156-Y166 HydrophobicContact CD1-CE1 3.29Å; I156-Y166 HydrophobicContact CD1-CE2 3.96Å; I156-Y166 HydrophobicContact CD1-CG 3.82Å; P157-Y166 HydrophobicContact CG-CD2 4.5Å; E162-Y166 PolarHBondContact O-N 3.46Å; R163-Y166 WeakPolarHBondContact O-CB 3.39Å; R163-Y166 PolarHBondContact O-N 3.07Å; Y166-I168 HydrophobicContact CE1-CB 4.49Å; Y166-P169 WeakPolarHBondContact OH-CD 3.29Å; Y166-S187 WeakPolarHBondContact O-CB 3.15Å; Y166-I191 HydrophobicContact CD1-CG1 4.41Å; Y166-L241 WeakPolarHBondContact OH-CD2 3.43Å
167	M	92.4	Very high	90.6	Very high	101 Å²	101	77.9 Å²	77.9	50%	0.498	40%	0.4	S	S	.	.			trans	-128.6	134.9	170.6	175.5	172.6	42.5	0	0	109.7	R165 K183 S187	R165-M167 PolarHBondContact O-N 3.2Å; M167-K183 HydrophobicContact CG-CD 4.08Å; M167-K183 HydrophobicContact CG-CG 4.38Å; M167-K183 HydrophobicContact SD-CD 3.82Å; M167-K183 PolarHBondContact SD-NZ 3.49Å; M167-S187 WeakPolarHBondContact CA-OG 3.29Å
168	I	91.8	Very high	90.4	Very high	0 Å²	0	80.7 Å²	80.7	0%	0	41%	0.413	C	S	.	.			trans	-55.4	126	-179.7	-171.6	174.4	0	0	0	110.9	Y166 C170 K183 S187 L190 L237 L240 L241	Y166-I168 HydrophobicContact CE1-CB 4.49Å; I168-C170 PolarHBondContact O-N 2.85Å; I168-K183 HydrophobicContact CG2-CD 4.45Å; I168-K183 HydrophobicContact CG2-CG 3.6Å; I168-K183 WeakPolarHBondContact O-CE 3.48Å; I168-K183 PolarHBondContact O-NZ 2.91Å; I168-S187 PolarHBondContact N-OG 3.03Å; I168-L190 HydrophobicContact CB-CD1 4.42Å; I168-L190 HydrophobicContact CD1-CD1 4.02Å; I168-L190 HydrophobicContact CG1-CD1 4.43Å; I168-L237 HydrophobicContact CD1-CD2 3.93Å; I168-L240 HydrophobicContact CD1-CD2 4.24Å; I168-L241 HydrophobicContact CD1-CD2 4.35Å; I168-L241 HydrophobicContact CG1-CD2 4.02Å
169	P	87.1	Confident	90.5	Very high	73 Å²	73	80 Å²	80	47%	0.474	40%	0.397	S	S	.	.	S	Bend	trans	-75.4	-8.4	-171.1	29	-36.8	0	0	0	113.9	Y166	Y166-P169 WeakPolarHBondContact OH-CD 3.29Å
170	C	84.4	Confident	90.4	Very high	20 Å²	20	84.9 Å²	84.9	14%	0.135	42%	0.418	C	S	.	.	S	Bend	trans	-127.5	144.5	-172.9	50.9	0	0	0	0	112	I168 S172	I168-C170 PolarHBondContact O-N 2.85Å; C170-S172 PolarHBondContact O-N 3.17Å
171	H	86.6	Confident	90.6	Very high	165 Å²	165	82.7 Å²	82.7	76%	0.764	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-65.5	118.9	179.8	172.1	79.3	0	0	0	111.4
172	S	90.9	Very high	90.8	Very high	11 Å²	11	78.3 Å²	78.3	8%	0.077	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-87	147.8	169.8	56.2	0	0	0	0	110.8	C170 D186 R233	C170-S172 PolarHBondContact O-N 3.17Å; S172-D186 WeakPolarHBondContact CB-OD2 3.17Å; S172-D186 PolarHBondContact OG-OD2 3.43Å; S172-R233 PolarHBondContact OG-NH2 3.26Å
173	K	90.6	Very high	90.9	Very high	145 Å²	145	76.3 Å²	76.3	63%	0.63	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-65.5	156.9	171.5	-68.9	175.8	177.1	-174.8	0	111	R233 Y236	K173-R233 VanDerWaalsContact O-CZ 3.24Å; K173-R233 PolarHBondContact O-NH1 2.91Å; K173-R233 PolarHBondContact O-NH2 2.86Å; K173-Y236 HydrophobicContact CB-CE1 4.35Å; K173-Y236 PolarHBondContact N-OH 2.87Å
174	A	89.9	Confident	90.9	Very high	66 Å²	66	80.2 Å²	80.2	55%	0.545	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-47.9	141.9	166.4	0	0	0	0	0	112.1	R233	A174-R233 PolarHBondContact O-NH1 2.99Å
175	A	90.9	Very high	91.2	Very high	17 Å²	17	74.6 Å²	74.6	14%	0.14	37%	0.372	C	S	.	.			trans	-80.1	-24.9	-177.5	0	0	0	0	0	113.7	F177 W181	A175-F177 VanDerWaalsContact C-N 3.3Å; A175-F177 HydrophobicContact CB-CD1 4.07Å; A175-F177 HydrophobicContact CB-CD2 3.76Å; A175-F177 HydrophobicContact CB-CE1 4.02Å; A175-F177 HydrophobicContact CB-CE2 3.73Å; A175-F177 HydrophobicContact CB-CG 3.95Å; A175-F177 HydrophobicContact CB-CZ 3.87Å; A175-F177 PolarHBondContact O-N 3.01Å; A175-W181 HydrophobicContact CB-CB 3.95Å; A175-W181 HydrophobicContact CB-CG 3.72Å
176	H	90.9	Very high	91.4	Very high	167 Å²	167	67 Å²	67	77%	0.773	34%	0.343	S	S	*	.			trans	53.7	46	-173.2	-54.4	-71	0	0	0	112.5
177	F	92.6	Very high	91.5	Very high	29 Å²	29	65.8 Å²	65.8	13%	0.127	34%	0.339	C	S	.	.			trans	-90.2	173.4	165.9	-56.4	-21.3	0	0	0	109.7	A175 I179 W181 K224 P225 Q229 R233	A175-F177 VanDerWaalsContact C-N 3.3Å; A175-F177 HydrophobicContact CB-CD1 4.07Å; A175-F177 HydrophobicContact CB-CD2 3.76Å; A175-F177 HydrophobicContact CB-CE1 4.02Å; A175-F177 HydrophobicContact CB-CE2 3.73Å; A175-F177 HydrophobicContact CB-CG 3.95Å; A175-F177 HydrophobicContact CB-CZ 3.87Å; A175-F177 PolarHBondContact O-N 3.01Å; F177-I179 HydrophobicContact CB-CG1 4.08Å; F177-I179 PolarHBondContact O-N 3.36Å; F177-W181 HydrophobicContact CD2-CB 4.08Å; F177-W181 AromaticContact CD2-CD2 3.67Å; F177-W181 HydrophobicContact CD2-CD2 3.67Å; F177-W181 AromaticContact CD2-CE3 3.62Å; F177-W181 HydrophobicContact CD2-CE3 3.62Å; F177-W181 AromaticContact CD2-CG 3.87Å; F177-W181 HydrophobicContact CD2-CG 3.87Å; F177-W181 HydrophobicContact CD2-CZ3 4.38Å; F177-W181 AromaticContact CE2-CD2 3.54Å; F177-W181 HydrophobicContact CE2-CD2 3.54Å; F177-W181 AromaticContact CE2-CE2 3.9Å; F177-W181 AromaticContact CE2-CE3 3.67Å; F177-W181 HydrophobicContact CE2-CE3 3.67Å; F177-W181 AromaticContact CE2-CG 3.99Å; F177-W181 HydrophobicContact CE2-CG 3.99Å; F177-W181 HydrophobicContact CE2-CH2 4.45Å; F177-W181 HydrophobicContact CE2-CZ2 4.35Å; F177-W181 HydrophobicContact CE2-CZ3 4.13Å; F177-K224 HydrophobicContact CB-CB 4.22Å; F177-K224 HydrophobicContact CD1-CB 4.48Å; F177-P225 HydrophobicContact CD1-CB 4.17Å; F177-P225 HydrophobicContact CD2-CB 3.65Å; F177-P225 HydrophobicContact CD2-CG 3.69Å; F177-P225 HydrophobicContact CE1-CB 4.13Å; F177-P225 HydrophobicContact CE2-CB 3.58Å; F177-P225 HydrophobicContact CE2-CG 3.83Å; F177-P225 HydrophobicContact CG-CB 3.95Å; F177-P225 HydrophobicContact CG-CG 4.31Å; F177-P225 HydrophobicContact CZ-CB 3.82Å; F177-Q229 HydrophobicContact CD1-CB 4.45Å; F177-Q229 HydrophobicContact CE1-CB 3.84Å; F177-Q229 HydrophobicContact CZ-CB 4.37Å; F177-R233 HydrophobicContact CZ-CB 4.11Å; F177-R233 HydrophobicContact CZ-CG 4.27Å
178	D	89.1	Confident	91.7	Very high	89 Å²	89	62 Å²	62	48%	0.476	32%	0.322	S	S	.	.	S	Bend	trans	-87.7	15.6	-179.5	-42.2	-49.4	0	0	0	112.1	K224	D178-K224 IonicContact OD1-NZ 3.54Å; D178-K224 PolarHBondContact OD1-NZ 3.43Å; D178-K224 VanDerWaalsContact OD2-CB 3.26Å; D178-K224 WeakPolarHBondContact OD2-CB 3.09Å; D178-K224 WeakPolarHBondContact OD2-CD 3.4Å; D178-K224 VanDerWaalsContact OD2-CG 3.29Å; D178-K224 WeakPolarHBondContact OD2-CG 3.46Å; D178-K224 PolarHBondContact OD2-N 3.48Å; D178-K224 IonicContact OD2-NZ 2.81Å; D178-K224 PolarHBondContact OD2-NZ 3.5Å
179	I	91.7	Very high	91.9	Very high	64 Å²	64	62 Å²	62	33%	0.328	32%	0.322	S	S	.	.	S	Bend	trans	-137.4	160.9	-177.6	61.9	169.1	0	0	0	109.7	F177 W181 K215 P225	F177-I179 HydrophobicContact CB-CG1 4.08Å; F177-I179 PolarHBondContact O-N 3.36Å; I179-W181 HydrophobicContact CD1-CE3 4.25Å; I179-W181 PolarHBondContact O-N 2.65Å; I179-K215 HydrophobicContact CD1-CB 3.76Å; I179-K215 HydrophobicContact CD1-CD 4.46Å; I179-K215 HydrophobicContact CD1-CG 4.04Å; I179-K215 WeakPolarHBondContact CD1-O 3.27Å; I179-P225 HydrophobicContact CD1-CG 4.34Å
180	E	90.7	Very high	92.4	Very high	176 Å²	176	58.5 Å²	58.5	82%	0.822	30%	0.3	S	S	*	.			trans	-64.3	123.3	168.5	-64.3	-174.7	172.6	0	0	110.4
181	W	94.7	Very high	92.9	Very high	30 Å²	30	58 Å²	58	11%	0.114	30%	0.295	C	S	.	.			trans	-132.6	103.7	-178.4	-171.9	-78.4	0	0	0	110.2	A175 F177 I179 D185 D186 L189 L212 L216 P225 L230	A175-W181 HydrophobicContact CB-CB 3.95Å; A175-W181 HydrophobicContact CB-CG 3.72Å; F177-W181 HydrophobicContact CD2-CB 4.08Å; F177-W181 AromaticContact CD2-CD2 3.67Å; F177-W181 HydrophobicContact CD2-CD2 3.67Å; F177-W181 AromaticContact CD2-CE3 3.62Å; F177-W181 HydrophobicContact CD2-CE3 3.62Å; F177-W181 AromaticContact CD2-CG 3.87Å; F177-W181 HydrophobicContact CD2-CG 3.87Å; F177-W181 HydrophobicContact CD2-CZ3 4.38Å; F177-W181 AromaticContact CE2-CD2 3.54Å; F177-W181 HydrophobicContact CE2-CD2 3.54Å; F177-W181 AromaticContact CE2-CE2 3.9Å; F177-W181 AromaticContact CE2-CE3 3.67Å; F177-W181 HydrophobicContact CE2-CE3 3.67Å; F177-W181 AromaticContact CE2-CG 3.99Å; F177-W181 HydrophobicContact CE2-CG 3.99Å; F177-W181 HydrophobicContact CE2-CH2 4.45Å; F177-W181 HydrophobicContact CE2-CZ2 4.35Å; F177-W181 HydrophobicContact CE2-CZ3 4.13Å; I179-W181 HydrophobicContact CD1-CE3 4.25Å; I179-W181 PolarHBondContact O-N 2.65Å; W181-D185 WeakPolarHBondContact CA-OD2 3.44Å; W181-D185 HydrophobicContact CD2-CB 3.66Å; W181-D185 HydrophobicContact CE3-CB 3.96Å; W181-D185 HydrophobicContact CG-CB 4.15Å; W181-D185 HydrophobicContact CH2-CB 4.02Å; W181-D185 HydrophobicContact CZ2-CB 3.72Å; W181-D185 WeakPolarHBondContact CZ2-O 3.31Å; W181-D185 HydrophobicContact CZ3-CB 4.14Å; W181-D186 PolarHBondContact NE1-OD1 2.74Å; W181-L189 HydrophobicContact CH2-CB 4.42Å; W181-L189 HydrophobicContact CH2-CD2 4.23Å; W181-L189 HydrophobicContact CZ2-CB 4.14Å; W181-L189 HydrophobicContact CZ2-CD2 3.83Å; W181-L212 HydrophobicContact CH2-CD2 3.86Å; W181-L212 HydrophobicContact CZ3-CD2 4.02Å; W181-L216 HydrophobicContact CH2-CD2 3.92Å; W181-L216 HydrophobicContact CZ3-CD2 3.98Å; W181-P225 HydrophobicContact CE3-CG 4.41Å; W181-P225 HydrophobicContact CZ3-CG 4.11Å; W181-L230 HydrophobicContact CH2-CD2 4.34Å
182	G	93.3	Very high	93.4	Very high	27 Å²	27	50.1 Å²	50.1	28%	0.278	26%	0.259	S	S	.	.			trans	-88.1	-170.9	-175.1	0	0	0	0	0	114.8	E184 D185 D186	G182-E184 VanDerWaalsContact C-N 3.29Å; G182-D185 PolarHBondContact N-OD2 3.02Å; G182-D186 PolarHBondContact O-N 2.74Å
183	K	93.7	Very high	93.7	Very high	73 Å²	73	49.7 Å²	49.7	32%	0.317	26%	0.256	S	S	.	.	H	α-helix	trans	-77.4	-25.9	172	-177.2	-168.2	178.2	-158.5	0	110.9	M167 I168 S187	M167-K183 HydrophobicContact CG-CD 4.08Å; M167-K183 HydrophobicContact CG-CG 4.38Å; M167-K183 HydrophobicContact SD-CD 3.82Å; M167-K183 PolarHBondContact SD-NZ 3.49Å; I168-K183 HydrophobicContact CG2-CD 4.45Å; I168-K183 HydrophobicContact CG2-CG 3.6Å; I168-K183 WeakPolarHBondContact O-CE 3.48Å; I168-K183 PolarHBondContact O-NZ 2.91Å; K183-S187 WeakPolarHBondContact O-CB 3.35Å; K183-S187 PolarHBondContact O-N 3.2Å; K183-S187 VanDerWaalsContact O-N 3.08Å; K183-S187 PolarHBondContact O-OG 3.06Å
184	E	93.6	Very high	93.9	Very high	113 Å²	113	43.7 Å²	43.7	53%	0.528	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-50.1	176.6	-59.4	61.1	-132.2	0	0	108.3	G182 D186 S187 S188	G182-E184 VanDerWaalsContact C-N 3.29Å; E184-D186 PolarHBondContact O-N 3.33Å; E184-S187 CarbonylContact O-C 3.56Å; E184-S187 WeakPolarHBondContact O-CA 3.49Å; E184-S187 WeakPolarHBondContact O-CB 3.45Å; E184-S187 PolarHBondContact O-N 3.32Å; E184-S188 PolarHBondContact O-N 2.96Å; E184-S188 PolarHBondContact O-OG 3.02Å
185	D	95.3	Very high	94.1	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.059	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-39.6	175.3	-60.1	-51.5	0	0	0	112.7	W181 G182 S187 L189 L212 K215	W181-D185 WeakPolarHBondContact CA-OD2 3.44Å; W181-D185 HydrophobicContact CD2-CB 3.66Å; W181-D185 HydrophobicContact CE3-CB 3.96Å; W181-D185 HydrophobicContact CG-CB 4.15Å; W181-D185 HydrophobicContact CH2-CB 4.02Å; W181-D185 HydrophobicContact CZ2-CB 3.72Å; W181-D185 WeakPolarHBondContact CZ2-O 3.31Å; W181-D185 HydrophobicContact CZ3-CB 4.14Å; G182-D185 PolarHBondContact N-OD2 3.02Å; D185-S187 VanDerWaalsContact C-N 3.26Å; D185-S187 PolarHBondContact O-N 2.89Å; D185-L189 WeakPolarHBondContact O-CB 3.26Å; D185-L189 PolarHBondContact O-N 2.99Å; D185-L212 HydrophobicContact CB-CD2 4.31Å; D185-K215 VanDerWaalsContact OD1-CD 3.29Å; D185-K215 WeakPolarHBondContact OD1-CD 3.47Å; D185-K215 WeakPolarHBondContact OD1-CE 3.39Å; D185-K215 IonicContact OD1-NZ 3.01Å; D185-K215 PolarHBondContact OD1-NZ 3.49Å; D185-K215 IonicContact OD2-NZ 2.64Å; D185-K215 PolarHBondContact OD2-NZ 3.08Å
186	D	96.3	Very high	94.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-37.4	170.3	-80.1	-23.1	0	0	0	112.3	S172 W181 G182 E184 L190 R233 L237	S172-D186 WeakPolarHBondContact CB-OD2 3.17Å; S172-D186 PolarHBondContact OG-OD2 3.43Å; W181-D186 PolarHBondContact NE1-OD1 2.74Å; G182-D186 PolarHBondContact O-N 2.74Å; E184-D186 PolarHBondContact O-N 3.33Å; D186-L190 WeakPolarHBondContact O-CD1 3.17Å; D186-L190 WeakPolarHBondContact O-CG 3.39Å; D186-L190 PolarHBondContact O-N 3.49Å; D186-L190 VanDerWaalsContact O-N 3.12Å; D186-R233 VanDerWaalsContact CG-NH2 3.26Å; D186-R233 IonicContact OD1-CZ 3.96Å; D186-R233 VanDerWaalsContact OD1-CZ 3.27Å; D186-R233 IonicContact OD1-NE 2.68Å; D186-R233 PolarHBondContact OD1-NE 2.64Å; D186-R233 IonicContact OD1-NH2 3.43Å; D186-R233 PolarHBondContact OD1-NH2 3.44Å; D186-R233 IonicContact OD2-CZ 3.2Å; D186-R233 IonicContact OD2-NE 3.61Å; D186-R233 IonicContact OD2-NH2 2.85Å; D186-R233 PolarHBondContact OD2-NH2 3.05Å; D186-L237 HydrophobicContact CB-CD1 3.86Å; D186-L237 HydrophobicContact CB-CD2 4.08Å; D186-L237 WeakPolarHBondContact OD1-CD1 3.45Å
187	S	95.8	Very high	94.6	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-75.3	-47.7	-177.4	-56	0	0	0	0	110.6	Y166 M167 I168 K183 E184 D185 L189 L190 I191	Y166-S187 WeakPolarHBondContact O-CB 3.15Å; M167-S187 WeakPolarHBondContact CA-OG 3.29Å; I168-S187 PolarHBondContact N-OG 3.03Å; K183-S187 WeakPolarHBondContact O-CB 3.35Å; K183-S187 PolarHBondContact O-N 3.2Å; K183-S187 VanDerWaalsContact O-N 3.08Å; K183-S187 PolarHBondContact O-OG 3.06Å; E184-S187 CarbonylContact O-C 3.56Å; E184-S187 WeakPolarHBondContact O-CA 3.49Å; E184-S187 WeakPolarHBondContact O-CB 3.45Å; E184-S187 PolarHBondContact O-N 3.32Å; D185-S187 VanDerWaalsContact C-N 3.26Å; D185-S187 PolarHBondContact O-N 2.89Å; S187-L189 VanDerWaalsContact C-N 3.28Å; S187-L189 PolarHBondContact O-N 2.8Å; S187-L190 PolarHBondContact O-N 2.72Å; S187-L190 VanDerWaalsContact O-N 3.11Å; S187-I191 VanDerWaalsContact O-CG1 3.29Å; S187-I191 WeakPolarHBondContact O-CG1 3.49Å; S187-I191 PolarHBondContact O-N 2.77Å
188	S	95.9	Very high	94.8	Very high	21 Å²	21	37.2 Å²	37.2	15%	0.147	18%	0.182	C	C	.	.	H	α-helix	trans	-55.5	-40.2	169.7	-69.1	0	0	0	0	112.4	E184 L190 I191 G192 L210	E184-S188 PolarHBondContact O-N 2.96Å; E184-S188 PolarHBondContact O-OG 3.02Å; S188-L190 PolarHBondContact O-N 3.42Å; S188-I191 PolarHBondContact O-N 2.69Å; S188-G192 PolarHBondContact O-N 3.2Å; S188-L210 WeakPolarHBondContact CB-O 3.14Å; S188-L210 PolarHBondContact OG-O 2.86Å
189	L	96.8	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-39.4	177.3	-177.7	64.1	0	0	0	111.5	W181 D185 S187 I193 W201 L212 L230 R233 L237	W181-L189 HydrophobicContact CH2-CB 4.42Å; W181-L189 HydrophobicContact CH2-CD2 4.23Å; W181-L189 HydrophobicContact CZ2-CB 4.14Å; W181-L189 HydrophobicContact CZ2-CD2 3.83Å; D185-L189 WeakPolarHBondContact O-CB 3.26Å; D185-L189 PolarHBondContact O-N 2.99Å; S187-L189 VanDerWaalsContact C-N 3.28Å; S187-L189 PolarHBondContact O-N 2.8Å; L189-I193 HydrophobicContact CD1-CD1 4.35Å; L189-I193 HydrophobicContact CG-CD1 4.05Å; L189-I193 WeakPolarHBondContact O-CB 3.4Å; L189-I193 VanDerWaalsContact O-CD1 3.28Å; L189-I193 WeakPolarHBondContact O-CD1 3.39Å; L189-I193 WeakPolarHBondContact O-CG1 3.5Å; L189-I193 PolarHBondContact O-N 3.48Å; L189-W201 HydrophobicContact CD1-CE3 4.2Å; L189-W201 HydrophobicContact CD1-CZ3 3.82Å; L189-L212 HydrophobicContact CB-CD1 4.31Å; L189-L230 HydrophobicContact CD1-CD2 4.47Å; L189-R233 HydrophobicContact CD2-CB 4.28Å; L189-R233 HydrophobicContact CD2-CG 4.01Å; L189-L237 HydrophobicContact CD2-CD1 4.44Å
190	L	96.8	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.6	-37.2	176.2	-70.3	164.5	0	0	0	112.4	L152 I156 I168 D186 S187 S188 Y194 L237 I238 L241	L152-L190 HydrophobicContact CD1-CB 3.98Å; L152-L190 HydrophobicContact CD1-CD2 3.64Å; L152-L190 HydrophobicContact CD1-CG 4.38Å; I156-L190 HydrophobicContact CD1-CB 4.2Å; I168-L190 HydrophobicContact CB-CD1 4.42Å; I168-L190 HydrophobicContact CD1-CD1 4.02Å; I168-L190 HydrophobicContact CG1-CD1 4.43Å; D186-L190 WeakPolarHBondContact O-CD1 3.17Å; D186-L190 WeakPolarHBondContact O-CG 3.39Å; D186-L190 PolarHBondContact O-N 3.49Å; D186-L190 VanDerWaalsContact O-N 3.12Å; S187-L190 PolarHBondContact O-N 2.72Å; S187-L190 VanDerWaalsContact O-N 3.11Å; S188-L190 PolarHBondContact O-N 3.42Å; L190-Y194 WeakPolarHBondContact O-CB 3.48Å; L190-Y194 PolarHBondContact O-N 3.33Å; L190-L237 HydrophobicContact CD1-CB 4.22Å; L190-L237 HydrophobicContact CD1-CD1 4.22Å; L190-L237 HydrophobicContact CD2-CB 3.87Å; L190-L237 HydrophobicContact CD2-CD1 4.32Å; L190-L237 HydrophobicContact CG-CB 4.34Å; L190-L237 HydrophobicContact CG-CD1 4.07Å; L190-I238 HydrophobicContact CD2-CG1 4.11Å; L190-L241 HydrophobicContact CD1-CD1 4.19Å; L190-L241 HydrophobicContact CD2-CD1 4.04Å
191	I	95.9	Very high	95.6	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.046	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-49.6	172.9	-64.7	159.6	0	0	0	109.9	R163 Y166 S187 S188 I193 Y194 E195 L210	R163-I191 HydrophobicContact CG-CG1 4.23Å; R163-I191 HydrophobicContact CG-CG2 3.84Å; R163-I191 WeakPolarHBondContact O-CD1 3.38Å; Y166-I191 HydrophobicContact CD1-CG1 4.41Å; S187-I191 VanDerWaalsContact O-CG1 3.29Å; S187-I191 WeakPolarHBondContact O-CG1 3.49Å; S187-I191 PolarHBondContact O-N 2.77Å; S188-I191 PolarHBondContact O-N 2.69Å; I191-I193 VanDerWaalsContact C-N 3.32Å; I191-I193 PolarHBondContact O-N 2.86Å; I191-Y194 WeakPolarHBondContact O-CA 3.1Å; I191-Y194 VanDerWaalsContact O-CB 3.24Å; I191-Y194 WeakPolarHBondContact O-CB 3.37Å; I191-Y194 PolarHBondContact O-N 3.42Å; I191-E195 HydrophobicContact CG2-CG 4.41Å; I191-E195 VanDerWaalsContact CG2-OE2 3.28Å; I191-E195 WeakPolarHBondContact CG2-OE2 3.47Å; I191-E195 PolarHBondContact O-N 3.13Å; I191-L210 HydrophobicContact CB-CD2 4.02Å; I191-L210 HydrophobicContact CG2-CD2 3.67Å
192	G	95.9	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-39.1	177.2	0	0	0	0	0	113.5	S188 Y194 E195 Y196 I204	S188-G192 PolarHBondContact O-N 3.2Å; G192-Y194 VanDerWaalsContact C-N 3.29Å; G192-Y194 PolarHBondContact O-N 2.94Å; G192-E195 PolarHBondContact O-N 3Å; G192-Y196 WeakPolarHBondContact O-CB 3.14Å; G192-Y196 PolarHBondContact O-N 2.86Å; G192-I204 VanDerWaalsContact C-CD1 3.45Å
193	I	96.8	Very high	95.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-32.6	173	-68.1	162	0	0	0	111.4	L152 L189 I191 G197 Y198 W201 I204 A234	L152-I193 HydrophobicContact CD2-CB 4.08Å; L152-I193 HydrophobicContact CD2-CG2 3.44Å; L152-I193 VanDerWaalsContact CD2-CG2 3.44Å; L189-I193 HydrophobicContact CD1-CD1 4.35Å; L189-I193 HydrophobicContact CG-CD1 4.05Å; L189-I193 WeakPolarHBondContact O-CB 3.4Å; L189-I193 VanDerWaalsContact O-CD1 3.28Å; L189-I193 WeakPolarHBondContact O-CD1 3.39Å; L189-I193 WeakPolarHBondContact O-CG1 3.5Å; L189-I193 PolarHBondContact O-N 3.48Å; I191-I193 VanDerWaalsContact C-N 3.32Å; I191-I193 PolarHBondContact O-N 2.86Å; I193-G197 CarbonylContact O-C 3.13Å; I193-G197 WeakPolarHBondContact O-CA 3.28Å; I193-G197 PolarHBondContact O-N 2.56Å; I193-G197 VanDerWaalsContact O-N 3.15Å; I193-Y198 HydrophobicContact CG2-CD2 4.33Å; I193-W201 HydrophobicContact CD1-CH2 4.06Å; I193-W201 HydrophobicContact CD1-CZ3 3.88Å; I193-W201 HydrophobicContact CG1-CH2 4.23Å; I193-W201 HydrophobicContact CG1-CZ3 3.78Å; I193-I204 HydrophobicContact CG1-CD1 4.07Å; I193-A234 HydrophobicContact CD1-CB 3.48Å; I193-A234 VanDerWaalsContact CD1-CB 3.48Å
194	Y	95.8	Very high	95.8	Very high	19 Å²	19	27.3 Å²	27.3	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-69.6	-41.7	175.9	-178.6	-72.3	0	0	0	111.7	R74 I156 P157 A158 L190 I191 G192	R74-Y194 PolarHBondContact NH1-O 2.59Å; R74-Y194 VanDerWaalsContact NH2-CD2 3.31Å; I156-Y194 HydrophobicContact CB-CD2 3.33Å; I156-Y194 HydrophobicContact CB-CE2 3.48Å; I156-Y194 VanDerWaalsContact CB-CE2 3.48Å; I156-Y194 HydrophobicContact CB-CG 4.2Å; I156-Y194 HydrophobicContact CG1-CD2 3.83Å; I156-Y194 HydrophobicContact CG1-CE2 4.44Å; I156-Y194 HydrophobicContact CG2-CD1 4.33Å; I156-Y194 HydrophobicContact CG2-CD2 3.37Å; I156-Y194 HydrophobicContact CG2-CE2 3.53Å; I156-Y194 HydrophobicContact CG2-CG 3.77Å; P157-Y194 PolarHBondContact O-OH 3.19Å; A158-Y194 WeakPolarHBondContact CA-OH 3.18Å; L190-Y194 WeakPolarHBondContact O-CB 3.48Å; L190-Y194 PolarHBondContact O-N 3.33Å; I191-Y194 WeakPolarHBondContact O-CA 3.1Å; I191-Y194 VanDerWaalsContact O-CB 3.24Å; I191-Y194 WeakPolarHBondContact O-CB 3.37Å; I191-Y194 PolarHBondContact O-N 3.42Å; G192-Y194 VanDerWaalsContact C-N 3.29Å; G192-Y194 PolarHBondContact O-N 2.94Å
195	E	94.4	Very high	95.9	Very high	45 Å²	45	23.5 Å²	23.5	21%	0.21	12%	0.119	C	C	.	.	H	α-helix	trans	-90.4	-40.1	-170.2	-65.9	-175.5	129.3	0	0	113.9	R163 I191 G192	R163-E195 WeakPolarHBondContact CD-OE1 3.11Å; R163-E195 IonicContact CZ-OE1 2.64Å; R163-E195 IonicContact NE-OE1 2.73Å; R163-E195 IonicContact NH1-OE1 3.58Å; R163-E195 PolarHBondContact NH1-OE1 2.99Å; I191-E195 HydrophobicContact CG2-CG 4.41Å; I191-E195 VanDerWaalsContact CG2-OE2 3.28Å; I191-E195 WeakPolarHBondContact CG2-OE2 3.47Å; I191-E195 PolarHBondContact O-N 3.13Å; G192-E195 PolarHBondContact O-N 3Å
196	Y	95.7	Very high	95.9	Very high	51 Å²	51	29.1 Å²	29.1	20%	0.2	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-12.1	-179.8	-58.9	-80.9	0	0	0	113.1	G192 S200 M203 I204 D207 L210	G192-Y196 WeakPolarHBondContact O-CB 3.14Å; G192-Y196 PolarHBondContact O-N 2.86Å; Y196-S200 WeakPolarHBondContact O-CB 3.49Å; Y196-S200 PolarHBondContact O-OG 3.41Å; Y196-M203 HydrophobicContact CD1-CB 3.58Å; Y196-M203 HydrophobicContact CD1-CE 4.04Å; Y196-M203 HydrophobicContact CD1-CG 4.36Å; Y196-M203 HydrophobicContact CE1-CB 4.31Å; Y196-M203 HydrophobicContact CE1-CE 4.09Å; Y196-M203 HydrophobicContact CG-CB 3.78Å; Y196-I204 HydrophobicContact CD2-CG1 4.14Å; Y196-I204 HydrophobicContact CG-CG1 4.44Å; Y196-D207 HydrophobicContact CE2-CB 4.02Å; Y196-D207 WeakPolarHBondContact CE2-OD2 3.45Å; Y196-D207 PolarHBondContact OH-OD2 2.95Å; Y196-D207 VanDerWaalsContact OH-OD2 3.12Å; Y196-L210 HydrophobicContact CE2-CD1 4.46Å
197	G	95.8	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.			trans	92.2	151.7	177.8	0	0	0	0	0	114	K67 I193 G199 S200	K67-G197 WeakPolarHBondContact O-CA 3.48Å; I193-G197 CarbonylContact O-C 3.13Å; I193-G197 WeakPolarHBondContact O-CA 3.28Å; I193-G197 PolarHBondContact O-N 2.56Å; I193-G197 VanDerWaalsContact O-N 3.15Å; G197-G199 PolarHBondContact O-N 3.11Å; G197-S200 VanDerWaalsContact O-CB 3.26Å; G197-S200 WeakPolarHBondContact O-CB 3.26Å; G197-S200 PolarHBondContact O-N 3.09Å; G197-S200 VanDerWaalsContact O-N 3.1Å; G197-S200 PolarHBondContact O-OG 3.18Å
198	Y	96.6	Very high	95.7	Very high	48 Å²	48	33.9 Å²	33.9	19%	0.188	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	127.9	176.9	-177.3	-80.3	0	0	0	112.1	K67 L149 I193 S200 Q231 A234 D235 I238	K67-Y198 WeakPolarHBondContact CG-O 3.45Å; K67-Y198 PolarHBondContact O-N 2.88Å; L149-Y198 HydrophobicContact CD2-CD2 4.01Å; L149-Y198 HydrophobicContact CD2-CG 4.33Å; I193-Y198 HydrophobicContact CG2-CD2 4.33Å; Y198-S200 VanDerWaalsContact C-N 3.33Å; Y198-Q231 HydrophobicContact CE1-CG 4.24Å; Y198-Q231 WeakPolarHBondContact OH-CG 3.18Å; Y198-Q231 PolarHBondContact OH-NE2 3.08Å; Y198-Q231 VanDerWaalsContact OH-NE2 3.08Å; Y198-A234 HydrophobicContact CE2-CB 4.13Å; Y198-D235 PolarHBondContact OH-OD1 3.19Å; Y198-I238 HydrophobicContact CD2-CD1 4.27Å; Y198-I238 HydrophobicContact CE2-CD1 4.41Å
199	G	95.4	Very high	95.5	Very high	36 Å²	36	37.5 Å²	37.5	37%	0.371	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-2.2	-178.5	0	0	0	0	0	115.1	G197 W201	G197-G199 PolarHBondContact O-N 3.11Å; G199-W201 PolarHBondContact O-N 3.11Å
200	S	96.1	Very high	95.2	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.049	20%	0.197	C	C	.	.			trans	-80.2	43.4	174	-56.5	0	0	0	0	112.6	K67 D81 Y196 G197 Y198 E202 M203 I204	K67-S200 WeakPolarHBondContact CD-OG 3.31Å; K67-S200 PolarHBondContact NZ-OG 3.4Å; D81-S200 PolarHBondContact OD1-OG 3.02Å; Y196-S200 WeakPolarHBondContact O-CB 3.49Å; Y196-S200 PolarHBondContact O-OG 3.41Å; G197-S200 VanDerWaalsContact O-CB 3.26Å; G197-S200 WeakPolarHBondContact O-CB 3.26Å; G197-S200 PolarHBondContact O-N 3.09Å; G197-S200 VanDerWaalsContact O-N 3.1Å; G197-S200 PolarHBondContact O-OG 3.18Å; Y198-S200 VanDerWaalsContact C-N 3.33Å; S200-E202 PolarHBondContact O-N 3.42Å; S200-E202 VanDerWaalsContact O-N 3.11Å; S200-M203 WeakPolarHBondContact O-CB 3.2Å; S200-M203 PolarHBondContact O-N 3.02Å; S200-I204 WeakPolarHBondContact O-CG1 3.43Å; S200-I204 PolarHBondContact O-N 3.41Å; S200-I204 VanDerWaalsContact O-N 3.16Å
201	W	96.6	Very high	95	Very high	20 Å²	20	43.7 Å²	43.7	8%	0.076	23%	0.228	C	C	.	.	H	α-helix	trans	-55.4	-34.7	-169.4	-51.6	127.2	0	0	0	114	L189 I193 G199 I204 K205 L217 A227 L230 Q231 A234	L189-W201 HydrophobicContact CD1-CE3 4.2Å; L189-W201 HydrophobicContact CD1-CZ3 3.82Å; I193-W201 HydrophobicContact CD1-CH2 4.06Å; I193-W201 HydrophobicContact CD1-CZ3 3.88Å; I193-W201 HydrophobicContact CG1-CH2 4.23Å; I193-W201 HydrophobicContact CG1-CZ3 3.78Å; G199-W201 PolarHBondContact O-N 3.11Å; W201-I204 HydrophobicContact CE3-CD1 3.94Å; W201-I204 HydrophobicContact CZ3-CD1 4.2Å; W201-I204 PolarHBondContact O-N 3.35Å; W201-K205 PolarHBondContact O-N 3.02Å; W201-L217 HydrophobicContact CB-CD1 3.89Å; W201-L217 HydrophobicContact CB-CD2 4.4Å; W201-L217 HydrophobicContact CB-CG 4.42Å; W201-A227 HydrophobicContact CG-CB 4.49Å; W201-A227 PolarHBondContact NE1-O 3.21Å; W201-L230 HydrophobicContact CB-CD1 4.12Å; W201-L230 HydrophobicContact CD2-CB 3.92Å; W201-L230 HydrophobicContact CD2-CD1 4.05Å; W201-L230 HydrophobicContact CE3-CB 4Å; W201-L230 HydrophobicContact CE3-CD1 4.18Å; W201-L230 HydrophobicContact CG-CD1 4.03Å; W201-L230 HydrophobicContact CH2-CB 4.28Å; W201-L230 HydrophobicContact CZ2-CB 4.17Å; W201-L230 HydrophobicContact CZ3-CB 4.18Å; W201-Q231 HydrophobicContact CZ2-CB 4.02Å; W201-Q231 HydrophobicContact CZ2-CG 4.46Å; W201-A234 HydrophobicContact CH2-CB 3.89Å
202	E	95.1	Very high	94.8	Very high	91 Å²	91	43.3 Å²	43.3	43%	0.425	23%	0.226	S	C	.	.	H	α-helix	trans	-67.3	-40.8	177.2	-158.4	62.3	-142	0	0	112.2	S200 I204 K205 M206 L217	S200-E202 PolarHBondContact O-N 3.42Å; S200-E202 VanDerWaalsContact O-N 3.11Å; E202-I204 VanDerWaalsContact C-N 3.29Å; E202-I204 PolarHBondContact O-N 3.05Å; E202-K205 WeakPolarHBondContact O-CB 3.39Å; E202-K205 PolarHBondContact O-N 3.44Å; E202-M206 WeakPolarHBondContact O-CB 2.89Å; E202-M206 WeakPolarHBondContact O-CG 3.4Å; E202-M206 PolarHBondContact O-N 3.25Å; E202-M206 WeakPolarHBondContact OE1-CE 3.4Å; E202-L217 VanDerWaalsContact OE2-CD1 3.26Å; E202-L217 WeakPolarHBondContact OE2-CD1 3.19Å
203	M	94.9	Very high	94.6	Very high	96 Å²	96	45.3 Å²	45.3	47%	0.473	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-36.4	175.7	-62.9	-59.2	-58.6	0	0	111.5	Y196 S200 M206 D207	Y196-M203 HydrophobicContact CD1-CB 3.58Å; Y196-M203 HydrophobicContact CD1-CE 4.04Å; Y196-M203 HydrophobicContact CD1-CG 4.36Å; Y196-M203 HydrophobicContact CE1-CB 4.31Å; Y196-M203 HydrophobicContact CE1-CE 4.09Å; Y196-M203 HydrophobicContact CG-CB 3.78Å; S200-M203 WeakPolarHBondContact O-CB 3.2Å; S200-M203 PolarHBondContact O-N 3.02Å; M203-M206 PolarHBondContact O-N 3.25Å; M203-D207 PolarHBondContact O-N 3.04Å
204	I	96.3	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.9	-31.2	176.3	-58.5	170.2	0	0	0	111.1	G192 I193 Y196 S200 W201 E202 L210 L212 L216	G192-I204 VanDerWaalsContact C-CD1 3.45Å; I193-I204 HydrophobicContact CG1-CD1 4.07Å; Y196-I204 HydrophobicContact CD2-CG1 4.14Å; Y196-I204 HydrophobicContact CG-CG1 4.44Å; S200-I204 WeakPolarHBondContact O-CG1 3.43Å; S200-I204 PolarHBondContact O-N 3.41Å; S200-I204 VanDerWaalsContact O-N 3.16Å; W201-I204 HydrophobicContact CE3-CD1 3.94Å; W201-I204 HydrophobicContact CZ3-CD1 4.2Å; W201-I204 PolarHBondContact O-N 3.35Å; E202-I204 VanDerWaalsContact C-N 3.29Å; E202-I204 PolarHBondContact O-N 3.05Å; I204-L210 HydrophobicContact CG2-CD1 3.81Å; I204-L212 HydrophobicContact CG2-CD1 4.02Å; I204-L216 HydrophobicContact CB-CD1 4.17Å; I204-L216 HydrophobicContact CG2-CD1 3.65Å
205	K	95.6	Very high	94.1	Very high	34 Å²	34	56.1 Å²	56.1	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-71.5	-35.5	171.3	-177.2	-176.7	-179.9	-179.4	0	111.9	W201 E202 D207 T213 L216 L217 D219	W201-K205 PolarHBondContact O-N 3.02Å; E202-K205 WeakPolarHBondContact O-CB 3.39Å; E202-K205 PolarHBondContact O-N 3.44Å; K205-D207 VanDerWaalsContact C-N 3.29Å; K205-D207 PolarHBondContact O-N 3.36Å; K205-T213 VanDerWaalsContact O-CA 3.29Å; K205-T213 WeakPolarHBondContact O-CA 3.18Å; K205-T213 VanDerWaalsContact O-CG2 3.27Å; K205-T213 WeakPolarHBondContact O-CG2 3.46Å; K205-L216 HydrophobicContact CB-CB 4.06Å; K205-L216 HydrophobicContact CB-CD1 4.36Å; K205-L216 VanDerWaalsContact CD-O 3.29Å; K205-L216 WeakPolarHBondContact CD-O 3.35Å; K205-L216 WeakPolarHBondContact CE-O 3.34Å; K205-L216 HydrophobicContact CG-CB 4.21Å; K205-L217 HydrophobicContact CD-CB 4.16Å; K205-L217 PolarHBondContact NZ-O 2.76Å; K205-D219 IonicContact NZ-OD1 3.92Å
206	M	94.8	Very high	94	Very high	128 Å²	128	54.1 Å²	54.1	63%	0.631	28%	0.278	S	S	*	.	S	Bend	trans	-79.6	-7.8	-177.8	-68.7	-70.3	168.7	0	0	114	E202 M203 P208	E202-M206 WeakPolarHBondContact O-CB 2.89Å; E202-M206 WeakPolarHBondContact O-CG 3.4Å; E202-M206 PolarHBondContact O-N 3.25Å; E202-M206 WeakPolarHBondContact OE1-CE 3.4Å; M203-M206 PolarHBondContact O-N 3.25Å; M206-P208 WeakPolarHBondContact O-CD 3.49Å
207	D	94.6	Very high	93.9	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.059	27%	0.274	C	S	.	.			trans	-85.3	115.3	177	-172.3	-6.4	0	0	0	111.6	Y196 M203 K205 D209 L210	Y196-D207 HydrophobicContact CE2-CB 4.02Å; Y196-D207 WeakPolarHBondContact CE2-OD2 3.45Å; Y196-D207 PolarHBondContact OH-OD2 2.95Å; Y196-D207 VanDerWaalsContact OH-OD2 3.12Å; M203-D207 PolarHBondContact O-N 3.04Å; K205-D207 VanDerWaalsContact C-N 3.29Å; K205-D207 PolarHBondContact O-N 3.36Å; D207-D209 WeakPolarHBondContact OD1-CB 3.45Å; D207-D209 PolarHBondContact OD1-N 3.32Å; D207-L210 HydrophobicContact CB-CD1 3.98Å; D207-L210 HydrophobicContact CB-CG 4.1Å; D207-L210 WeakPolarHBondContact OD2-CG 3.45Å
208	P	93.3	Very high	93.7	Very high	93 Å²	93	54.1 Å²	54.1	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-30	176.2	30.2	-35.7	0	0	0	113.3	M206 L210 N211	M206-P208 WeakPolarHBondContact O-CD 3.49Å; P208-L210 PolarHBondContact O-N 2.92Å; P208-N211 PolarHBondContact O-N 3.49Å
209	D	91.4	Very high	93.5	Very high	98 Å²	98	59.4 Å²	59.4	52%	0.524	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.6	-174.9	-81.3	-44.7	0	0	0	112.4	K164 D207 N211	K164-D209 WeakPolarHBondContact CE-OD2 3.46Å; K164-D209 IonicContact NZ-OD1 3.25Å; K164-D209 PolarHBondContact NZ-OD1 3.48Å; K164-D209 IonicContact NZ-OD2 3.25Å; K164-D209 PolarHBondContact NZ-OD2 3.02Å; D207-D209 WeakPolarHBondContact OD1-CB 3.45Å; D207-D209 PolarHBondContact OD1-N 3.32Å; D209-N211 PolarHBondContact O-ND2 3.28Å
210	L	91.8	Very high	93.3	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.042	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.4	-179.7	-61.2	-179.3	0	0	0	113.8	S188 I191 Y196 I204 D207 P208 L212	S188-L210 WeakPolarHBondContact CB-O 3.14Å; S188-L210 PolarHBondContact OG-O 2.86Å; I191-L210 HydrophobicContact CB-CD2 4.02Å; I191-L210 HydrophobicContact CG2-CD2 3.67Å; Y196-L210 HydrophobicContact CE2-CD1 4.46Å; I204-L210 HydrophobicContact CG2-CD1 3.81Å; D207-L210 HydrophobicContact CB-CD1 3.98Å; D207-L210 HydrophobicContact CB-CG 4.1Å; D207-L210 WeakPolarHBondContact OD2-CG 3.45Å; P208-L210 PolarHBondContact O-N 2.92Å; L210-L212 HydrophobicContact CB-CB 4.26Å; L210-L212 HydrophobicContact CB-CD1 4.28Å; L210-L212 HydrophobicContact CB-CG 4.31Å; L210-L212 PolarHBondContact O-N 2.99Å
211	N	91.6	Very high	93	Very high	122 Å²	122	65 Å²	65	65%	0.652	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	22.4	-173.5	-61.5	-76.6	0	0	0	114.6	P208 D209	P208-N211 PolarHBondContact O-N 3.49Å; D209-N211 PolarHBondContact O-ND2 3.28Å
212	L	93	Very high	92.7	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.372	C	S	.	.			trans	-100.8	-7.8	-175.1	-79.5	179.8	0	0	0	114	W181 D185 L189 I204 L210 H214 K215 L216	W181-L212 HydrophobicContact CH2-CD2 3.86Å; W181-L212 HydrophobicContact CZ3-CD2 4.02Å; D185-L212 HydrophobicContact CB-CD2 4.31Å; L189-L212 HydrophobicContact CB-CD1 4.31Å; I204-L212 HydrophobicContact CG2-CD1 4.02Å; L210-L212 HydrophobicContact CB-CB 4.26Å; L210-L212 HydrophobicContact CB-CD1 4.28Å; L210-L212 HydrophobicContact CB-CG 4.31Å; L210-L212 PolarHBondContact O-N 2.99Å; L212-H214 PolarHBondContact O-N 3.28Å; L212-K215 HydrophobicContact CD2-CB 4.36Å; L212-K215 HydrophobicContact CD2-CD 4.49Å; L212-K215 PolarHBondContact O-N 3.46Å; L212-L216 HydrophobicContact CB-CD1 3.78Å; L212-L216 HydrophobicContact CB-CG 3.89Å; L212-L216 HydrophobicContact CD1-CD1 4.06Å; L212-L216 HydrophobicContact CD2-CD2 4.31Å; L212-L216 HydrophobicContact CD2-CG 4.35Å; L212-L216 HydrophobicContact CG-CD1 4.41Å; L212-L216 HydrophobicContact CG-CG 4.47Å; L212-L216 PolarHBondContact O-N 2.84Å
213	T	91.9	Very high	92.6	Very high	42 Å²	42	71.3 Å²	71.3	26%	0.258	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-50.3	-179.3	52.1	0	0	0	0	114.4	K205	K205-T213 VanDerWaalsContact O-CA 3.29Å; K205-T213 WeakPolarHBondContact O-CA 3.18Å; K205-T213 VanDerWaalsContact O-CG2 3.27Å; K205-T213 WeakPolarHBondContact O-CG2 3.46Å
214	H	90	Very high	92.5	Very high	185 Å²	185	69.8 Å²	69.8	86%	0.856	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.1	-177.4	-57.6	-68.7	0	0	0	113.7	L212	L212-H214 PolarHBondContact O-N 3.28Å
215	K	91.3	Very high	92.5	Very high	64 Å²	64	69.8 Å²	69.8	28%	0.278	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-28.7	-177.1	-68	-171.4	177.2	-176.1	0	113.6	I179 D185 L212 P225	I179-K215 HydrophobicContact CD1-CB 3.76Å; I179-K215 HydrophobicContact CD1-CD 4.46Å; I179-K215 HydrophobicContact CD1-CG 4.04Å; I179-K215 WeakPolarHBondContact CD1-O 3.27Å; D185-K215 VanDerWaalsContact OD1-CD 3.29Å; D185-K215 WeakPolarHBondContact OD1-CD 3.47Å; D185-K215 WeakPolarHBondContact OD1-CE 3.39Å; D185-K215 IonicContact OD1-NZ 3.01Å; D185-K215 PolarHBondContact OD1-NZ 3.49Å; D185-K215 IonicContact OD2-NZ 2.64Å; D185-K215 PolarHBondContact OD2-NZ 3.08Å; L212-K215 HydrophobicContact CD2-CB 4.36Å; L212-K215 HydrophobicContact CD2-CD 4.49Å; L212-K215 PolarHBondContact O-N 3.46Å; K215-P225 VanDerWaalsContact O-CD 3.26Å; K215-P225 WeakPolarHBondContact O-CD 3.47Å; K215-P225 WeakPolarHBondContact O-CG 3.36Å
216	L	92.9	Very high	92.5	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	37%	0.368	C	S	.	.	S	Bend	trans	-93.3	142.7	-177.1	-61	-176.6	0	0	0	112.7	W181 I204 K205 L212 P225 L230	W181-L216 HydrophobicContact CH2-CD2 3.92Å; W181-L216 HydrophobicContact CZ3-CD2 3.98Å; I204-L216 HydrophobicContact CB-CD1 4.17Å; I204-L216 HydrophobicContact CG2-CD1 3.65Å; K205-L216 HydrophobicContact CB-CB 4.06Å; K205-L216 HydrophobicContact CB-CD1 4.36Å; K205-L216 VanDerWaalsContact CD-O 3.29Å; K205-L216 WeakPolarHBondContact CD-O 3.35Å; K205-L216 WeakPolarHBondContact CE-O 3.34Å; K205-L216 HydrophobicContact CG-CB 4.21Å; L212-L216 HydrophobicContact CB-CD1 3.78Å; L212-L216 HydrophobicContact CB-CG 3.89Å; L212-L216 HydrophobicContact CD1-CD1 4.06Å; L212-L216 HydrophobicContact CD2-CD2 4.31Å; L212-L216 HydrophobicContact CD2-CG 4.35Å; L212-L216 HydrophobicContact CG-CD1 4.41Å; L212-L216 HydrophobicContact CG-CG 4.47Å; L212-L216 PolarHBondContact O-N 2.84Å; L216-P225 HydrophobicContact CD2-CG 4.45Å; L216-L230 HydrophobicContact CB-CD1 4.5Å; L216-L230 HydrophobicContact CD2-CD1 3.8Å; L216-L230 HydrophobicContact CD2-CD2 3.41Å; L216-L230 VanDerWaalsContact CD2-CD2 3.41Å; L216-L230 HydrophobicContact CD2-CG 4.24Å
217	L	92.3	Very high	92.5	Very high	20 Å²	20	66.1 Å²	66.1	11%	0.105	35%	0.354	C	S	.	.	S	Bend	trans	45.1	66.9	173.3	-47.8	176.4	0	0	0	112.3	W201 E202 K205 P225 A227 L230	W201-L217 HydrophobicContact CB-CD1 3.89Å; W201-L217 HydrophobicContact CB-CD2 4.4Å; W201-L217 HydrophobicContact CB-CG 4.42Å; E202-L217 VanDerWaalsContact OE2-CD1 3.26Å; E202-L217 WeakPolarHBondContact OE2-CD1 3.19Å; K205-L217 HydrophobicContact CD-CB 4.16Å; K205-L217 PolarHBondContact NZ-O 2.76Å; L217-P225 PolarHBondContact N-O 3.46Å; L217-P225 VanDerWaalsContact N-O 3.12Å; L217-A227 HydrophobicContact CD2-CB 4Å; L217-A227 VanDerWaalsContact CD2-N 3.28Å; L217-L230 HydrophobicContact CD2-CD1 3.82Å; L217-L230 HydrophobicContact CG-CD1 4.32Å
218	P	92	Very high	92.5	Very high	32 Å²	32	73.5 Å²	73.5	21%	0.208	39%	0.386	C	S	.	.			trans	-53.4	144.8	172.5	-23.8	34.6	0	0	0	110.9	D220 K223 Q226	P218-D220 PolarHBondContact O-N 3.25Å; P218-K223 HydrophobicContact CB-CB 3.79Å; P218-K223 HydrophobicContact CG-CB 3.95Å; P218-Q226 PolarHBondContact O-NE2 3.03Å
219	D	92	Very high	92.7	Very high	158 Å²	158	71.9 Å²	71.9	85%	0.845	37%	0.37	S	S	*	.	S	Bend	trans	-67	-20.3	-179	-46.8	-35.3	0	0	0	111.9	K205	K205-D219 IonicContact NZ-OD1 3.92Å
220	D	91.1	Very high	92.9	Very high	60 Å²	60	67.2 Å²	67.2	32%	0.321	35%	0.345	S	S	.	.	S	Bend	trans	-79.4	117.2	167.3	-178.7	-27.3	0	0	0	110.3	P218 D222 K223 Q226	P218-D220 PolarHBondContact O-N 3.25Å; D220-D222 VanDerWaalsContact C-N 3.28Å; D220-D222 PolarHBondContact O-N 2.95Å; D220-D222 PolarHBondContact OD1-N 2.92Å; D220-K223 HydrophobicContact CB-CB 4.2Å; D220-K223 HydrophobicContact CB-CD 4.01Å; D220-K223 HydrophobicContact CB-CG 3.96Å; D220-K223 PolarHBondContact O-N 2.78Å; D220-K223 IonicContact OD2-NZ 3.14Å; D220-K223 PolarHBondContact OD2-NZ 3.36Å; D220-Q226 PolarHBondContact O-NE2 3.24Å
221	P	90.9	Very high	93.2	Very high	101 Å²	101	71.2 Å²	71.2	66%	0.656	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.7	-174	29.4	-36.2	0	0	0	114.3
222	D	91.1	Very high	93.4	Very high	134 Å²	134	68.5 Å²	68.5	72%	0.717	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.1	179.8	-72.2	-43.5	0	0	0	112.3	D220 K224	D220-D222 VanDerWaalsContact C-N 3.28Å; D220-D222 PolarHBondContact O-N 2.95Å; D220-D222 PolarHBondContact OD1-N 2.92Å; D222-K224 PolarHBondContact O-NZ 3.35Å
223	K	92.4	Very high	93.6	Very high	110 Å²	110	69.3 Å²	69.3	48%	0.478	36%	0.361	S	S	.	.	S	Bend	trans	-75.9	132.6	172.8	-69.6	-170.9	-178.1	83.5	0	111.8	P218 D220 Q226	P218-K223 HydrophobicContact CB-CB 3.79Å; P218-K223 HydrophobicContact CG-CB 3.95Å; D220-K223 HydrophobicContact CB-CB 4.2Å; D220-K223 HydrophobicContact CB-CD 4.01Å; D220-K223 HydrophobicContact CB-CG 3.96Å; D220-K223 PolarHBondContact O-N 2.78Å; D220-K223 IonicContact OD2-NZ 3.14Å; D220-K223 PolarHBondContact OD2-NZ 3.36Å; K223-Q226 WeakPolarHBondContact O-CG 3.44Å; K223-Q226 PolarHBondContact O-NE2 2.99Å
224	K	93.3	Very high	93.9	Very high	63 Å²	63	67.3 Å²	67.3	27%	0.274	35%	0.349	S	S	.	.	S	Bend	trans	-99.6	148.2	179.9	-59.3	160.2	-144.7	69.7	0	110.1	F177 D178 D222 Q229	F177-K224 HydrophobicContact CB-CB 4.22Å; F177-K224 HydrophobicContact CD1-CB 4.48Å; D178-K224 IonicContact OD1-NZ 3.54Å; D178-K224 PolarHBondContact OD1-NZ 3.43Å; D178-K224 VanDerWaalsContact OD2-CB 3.26Å; D178-K224 WeakPolarHBondContact OD2-CB 3.09Å; D178-K224 WeakPolarHBondContact OD2-CD 3.4Å; D178-K224 VanDerWaalsContact OD2-CG 3.29Å; D178-K224 WeakPolarHBondContact OD2-CG 3.46Å; D178-K224 PolarHBondContact OD2-N 3.48Å; D178-K224 IonicContact OD2-NZ 2.81Å; D178-K224 PolarHBondContact OD2-NZ 3.5Å; D222-K224 PolarHBondContact O-NZ 3.35Å; K224-Q229 HydrophobicContact CG-CG 4.3Å
225	P	94.8	Very high	94.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	cis	-93.4	121.9	8.2	33.7	-35.5	0	0	0	115.7	F177 I179 W181 K215 L216 L217 Q229 L230	F177-P225 HydrophobicContact CD1-CB 4.17Å; F177-P225 HydrophobicContact CD2-CB 3.65Å; F177-P225 HydrophobicContact CD2-CG 3.69Å; F177-P225 HydrophobicContact CE1-CB 4.13Å; F177-P225 HydrophobicContact CE2-CB 3.58Å; F177-P225 HydrophobicContact CE2-CG 3.83Å; F177-P225 HydrophobicContact CG-CB 3.95Å; F177-P225 HydrophobicContact CG-CG 4.31Å; F177-P225 HydrophobicContact CZ-CB 3.82Å; I179-P225 HydrophobicContact CD1-CG 4.34Å; W181-P225 HydrophobicContact CE3-CG 4.41Å; W181-P225 HydrophobicContact CZ3-CG 4.11Å; K215-P225 VanDerWaalsContact O-CD 3.26Å; K215-P225 WeakPolarHBondContact O-CD 3.47Å; K215-P225 WeakPolarHBondContact O-CG 3.36Å; L216-P225 HydrophobicContact CD2-CG 4.45Å; L217-P225 PolarHBondContact N-O 3.46Å; L217-P225 VanDerWaalsContact N-O 3.12Å; P225-Q229 HydrophobicContact CB-CB 4.15Å; P225-L230 HydrophobicContact CB-CD2 3.61Å; P225-L230 HydrophobicContact CB-CG 4.03Å; P225-L230 HydrophobicContact CG-CD2 3.78Å
226	Q	95.5	Very high	94.4	Very high	43 Å²	43	61.3 Å²	61.3	20%	0.201	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-84.5	168.5	163.5	-65.7	-62.1	-16.2	0	0	111.6	P218 D220 K223 K228 Q229 L230	P218-Q226 PolarHBondContact O-NE2 3.03Å; D220-Q226 PolarHBondContact O-NE2 3.24Å; K223-Q226 WeakPolarHBondContact O-CG 3.44Å; K223-Q226 PolarHBondContact O-NE2 2.99Å; Q226-K228 PolarHBondContact O-N 3.15Å; Q226-Q229 WeakPolarHBondContact O-CA 3.1Å; Q226-Q229 WeakPolarHBondContact O-CB 3.2Å; Q226-Q229 PolarHBondContact O-N 3.11Å; Q226-Q229 PolarHBondContact O-OE1 3.49Å; Q226-L230 PolarHBondContact O-N 3.2Å
227	A	95.5	Very high	94.6	Very high	42 Å²	42	61.2 Å²	61.2	35%	0.347	32%	0.321	S	S	.	.	H	α-helix	trans	-49.8	-33.4	-173.7	0	0	0	0	0	115.4	W201 L217 Q231	W201-A227 HydrophobicContact CG-CB 4.49Å; W201-A227 PolarHBondContact NE1-O 3.21Å; L217-A227 HydrophobicContact CD2-CB 4Å; L217-A227 VanDerWaalsContact CD2-N 3.28Å; A227-Q231 WeakPolarHBondContact O-CB 3.14Å; A227-Q231 PolarHBondContact O-N 3.25Å
228	K	95.6	Very high	94.8	Very high	166 Å²	166	60.8 Å²	60.8	72%	0.722	32%	0.319	S	S	*	.	H	α-helix	trans	-72.6	-36.3	178.7	-176.6	-179.1	178.2	-175.3	0	112.4	Q226 A232	Q226-K228 PolarHBondContact O-N 3.15Å; K228-A232 WeakPolarHBondContact O-CB 3.16Å; K228-A232 PolarHBondContact O-N 2.99Å
229	Q	95.8	Very high	94.9	Very high	60 Å²	60	64.5 Å²	64.5	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-72	-42.1	176.5	-69.6	79.2	-15.6	0	0	110	F177 K224 P225 Q226 A232 R233	F177-Q229 HydrophobicContact CD1-CB 4.45Å; F177-Q229 HydrophobicContact CE1-CB 3.84Å; F177-Q229 HydrophobicContact CZ-CB 4.37Å; K224-Q229 HydrophobicContact CG-CG 4.3Å; P225-Q229 HydrophobicContact CB-CB 4.15Å; Q226-Q229 WeakPolarHBondContact O-CA 3.1Å; Q226-Q229 WeakPolarHBondContact O-CB 3.2Å; Q226-Q229 PolarHBondContact O-N 3.11Å; Q226-Q229 PolarHBondContact O-OE1 3.49Å; Q229-A232 PolarHBondContact O-N 3.36Å; Q229-R233 WeakPolarHBondContact O-CB 3.07Å; Q229-R233 PolarHBondContact O-N 2.94Å
230	L	96.9	Very high	95.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-44.6	172.1	-61.9	176.9	0	0	0	111.8	W181 L189 W201 L216 L217 P225 Q226 A232 R233 A234	W181-L230 HydrophobicContact CH2-CD2 4.34Å; L189-L230 HydrophobicContact CD1-CD2 4.47Å; W201-L230 HydrophobicContact CB-CD1 4.12Å; W201-L230 HydrophobicContact CD2-CB 3.92Å; W201-L230 HydrophobicContact CD2-CD1 4.05Å; W201-L230 HydrophobicContact CE3-CB 4Å; W201-L230 HydrophobicContact CE3-CD1 4.18Å; W201-L230 HydrophobicContact CG-CD1 4.03Å; W201-L230 HydrophobicContact CH2-CB 4.28Å; W201-L230 HydrophobicContact CZ2-CB 4.17Å; W201-L230 HydrophobicContact CZ3-CB 4.18Å; L216-L230 HydrophobicContact CB-CD1 4.5Å; L216-L230 HydrophobicContact CD2-CD1 3.8Å; L216-L230 HydrophobicContact CD2-CD2 3.41Å; L216-L230 VanDerWaalsContact CD2-CD2 3.41Å; L216-L230 HydrophobicContact CD2-CG 4.24Å; L217-L230 HydrophobicContact CD2-CD1 3.82Å; L217-L230 HydrophobicContact CG-CD1 4.32Å; P225-L230 HydrophobicContact CB-CD2 3.61Å; P225-L230 HydrophobicContact CB-CG 4.03Å; P225-L230 HydrophobicContact CG-CD2 3.78Å; Q226-L230 PolarHBondContact O-N 3.2Å; L230-A232 PolarHBondContact O-N 3.23Å; L230-R233 PolarHBondContact O-N 3.39Å; L230-A234 WeakPolarHBondContact O-CB 3.35Å; L230-A234 PolarHBondContact O-N 2.97Å
231	Q	97.1	Very high	95.2	Very high	92 Å²	92	55.7 Å²	55.7	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-49	174.8	-165.4	-175.8	1.9	0	0	111.7	Y198 W201 A227 R233 A234 D235	Y198-Q231 HydrophobicContact CE1-CG 4.24Å; Y198-Q231 WeakPolarHBondContact OH-CG 3.18Å; Y198-Q231 PolarHBondContact OH-NE2 3.08Å; Y198-Q231 VanDerWaalsContact OH-NE2 3.08Å; W201-Q231 HydrophobicContact CZ2-CB 4.02Å; W201-Q231 HydrophobicContact CZ2-CG 4.46Å; A227-Q231 WeakPolarHBondContact O-CB 3.14Å; A227-Q231 PolarHBondContact O-N 3.25Å; Q231-R233 VanDerWaalsContact C-N 3.26Å; Q231-R233 PolarHBondContact O-N 3Å; Q231-A234 PolarHBondContact O-N 3.42Å; Q231-D235 VanDerWaalsContact O-CB 3.28Å; Q231-D235 WeakPolarHBondContact O-CB 3.34Å; Q231-D235 PolarHBondContact O-N 3.09Å
232	A	96.9	Very high	95.4	Very high	65 Å²	65	53.5 Å²	53.5	54%	0.537	27%	0.272	S	S	.	.	H	α-helix	trans	-62.8	-31.5	177.3	0	0	0	0	0	113.1	K228 Q229 L230 Y236	K228-A232 WeakPolarHBondContact O-CB 3.16Å; K228-A232 PolarHBondContact O-N 2.99Å; Q229-A232 PolarHBondContact O-N 3.36Å; L230-A232 PolarHBondContact O-N 3.23Å; A232-Y236 PolarHBondContact O-N 2.84Å
233	R	96.9	Very high	95.5	Very high	17 Å²	17	53.2 Å²	53.2	6%	0.064	26%	0.264	C	S	.	.	H	α-helix	trans	-71.4	-52.4	175.7	-171	65.6	-179	-177.6	-1.6	111.5	S172 K173 A174 F177 D186 L189 Q229 L230 Q231 D235 Y236 L237	S172-R233 PolarHBondContact OG-NH2 3.26Å; K173-R233 VanDerWaalsContact O-CZ 3.24Å; K173-R233 PolarHBondContact O-NH1 2.91Å; K173-R233 PolarHBondContact O-NH2 2.86Å; A174-R233 PolarHBondContact O-NH1 2.99Å; F177-R233 HydrophobicContact CZ-CB 4.11Å; F177-R233 HydrophobicContact CZ-CG 4.27Å; D186-R233 VanDerWaalsContact CG-NH2 3.26Å; D186-R233 IonicContact OD1-CZ 3.96Å; D186-R233 VanDerWaalsContact OD1-CZ 3.27Å; D186-R233 IonicContact OD1-NE 2.68Å; D186-R233 PolarHBondContact OD1-NE 2.64Å; D186-R233 IonicContact OD1-NH2 3.43Å; D186-R233 PolarHBondContact OD1-NH2 3.44Å; D186-R233 IonicContact OD2-CZ 3.2Å; D186-R233 IonicContact OD2-NE 3.61Å; D186-R233 IonicContact OD2-NH2 2.85Å; D186-R233 PolarHBondContact OD2-NH2 3.05Å; L189-R233 HydrophobicContact CD2-CB 4.28Å; L189-R233 HydrophobicContact CD2-CG 4.01Å; Q229-R233 WeakPolarHBondContact O-CB 3.07Å; Q229-R233 PolarHBondContact O-N 2.94Å; L230-R233 PolarHBondContact O-N 3.39Å; Q231-R233 VanDerWaalsContact C-N 3.26Å; Q231-R233 PolarHBondContact O-N 3Å; R233-D235 VanDerWaalsContact C-N 3.3Å; R233-D235 PolarHBondContact O-N 3.31Å; R233-Y236 WeakPolarHBondContact O-CB 3.38Å; R233-Y236 PolarHBondContact O-N 2.91Å; R233-L237 HydrophobicContact CG-CD1 4.07Å; R233-L237 HydrophobicContact CG-CG 4.42Å; R233-L237 WeakPolarHBondContact O-CG 3.19Å; R233-L237 PolarHBondContact O-N 3.06Å
234	A	97.2	Very high	95.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-52.3	-49	174.4	0	0	0	0	0	111.6	I193 Y198 W201 L230 Q231 Y236 L237 I238	I193-A234 HydrophobicContact CD1-CB 3.48Å; I193-A234 VanDerWaalsContact CD1-CB 3.48Å; Y198-A234 HydrophobicContact CE2-CB 4.13Å; W201-A234 HydrophobicContact CH2-CB 3.89Å; L230-A234 WeakPolarHBondContact O-CB 3.35Å; L230-A234 PolarHBondContact O-N 2.97Å; Q231-A234 PolarHBondContact O-N 3.42Å; A234-Y236 PolarHBondContact O-N 3.33Å; A234-L237 PolarHBondContact O-N 2.9Å; A234-I238 HydrophobicContact CB-CD1 4.48Å; A234-I238 WeakPolarHBondContact O-CB 3.49Å; A234-I238 WeakPolarHBondContact O-CD1 3.35Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.22Å; A234-I238 PolarHBondContact O-N 3.33Å
235	D	96.6	Very high	95.4	Very high	55 Å²	55	47.1 Å²	47.1	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-56.7	-34.9	176.6	-98.7	43.4	0	0	0	113.9	Y198 Q231 R233 K239	Y198-D235 PolarHBondContact OH-OD1 3.19Å; Q231-D235 VanDerWaalsContact O-CB 3.28Å; Q231-D235 WeakPolarHBondContact O-CB 3.34Å; Q231-D235 PolarHBondContact O-N 3.09Å; R233-D235 VanDerWaalsContact C-N 3.3Å; R233-D235 PolarHBondContact O-N 3.31Å; D235-K239 WeakPolarHBondContact O-CB 3.42Å; D235-K239 WeakPolarHBondContact O-CD 3.42Å; D235-K239 WeakPolarHBondContact O-CG 3.44Å; D235-K239 PolarHBondContact O-N 3.3Å; D235-K239 PolarHBondContact O-NZ 2.89Å; D235-K239 IonicContact OD2-NZ 2.89Å; D235-K239 PolarHBondContact OD2-NZ 2.97Å
236	Y	96.8	Very high	95.3	Very high	67 Å²	67	49.7 Å²	49.7	26%	0.263	26%	0.261	S	S	.	.	H	α-helix	trans	-76.6	-45.4	176.6	162.4	-115.8	0	0	0	111.5	K173 A232 R233 A234 K239 L240	K173-Y236 HydrophobicContact CB-CE1 4.35Å; K173-Y236 PolarHBondContact N-OH 2.87Å; A232-Y236 PolarHBondContact O-N 2.84Å; R233-Y236 WeakPolarHBondContact O-CB 3.38Å; R233-Y236 PolarHBondContact O-N 2.91Å; A234-Y236 PolarHBondContact O-N 3.33Å; Y236-K239 CarbonylContact O-C 3.58Å; Y236-K239 PolarHBondContact O-N 3.48Å; Y236-L240 PolarHBondContact O-N 2.99Å
237	L	96.6	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-44.4	-179.5	-65	173.8	0	0	0	112.1	I168 D186 L189 L190 R233 A234 K239 L240 L241	I168-L237 HydrophobicContact CD1-CD2 3.93Å; D186-L237 HydrophobicContact CB-CD1 3.86Å; D186-L237 HydrophobicContact CB-CD2 4.08Å; D186-L237 WeakPolarHBondContact OD1-CD1 3.45Å; L189-L237 HydrophobicContact CD2-CD1 4.44Å; L190-L237 HydrophobicContact CD1-CB 4.22Å; L190-L237 HydrophobicContact CD1-CD1 4.22Å; L190-L237 HydrophobicContact CD2-CB 3.87Å; L190-L237 HydrophobicContact CD2-CD1 4.32Å; L190-L237 HydrophobicContact CG-CB 4.34Å; L190-L237 HydrophobicContact CG-CD1 4.07Å; R233-L237 HydrophobicContact CG-CD1 4.07Å; R233-L237 HydrophobicContact CG-CG 4.42Å; R233-L237 WeakPolarHBondContact O-CG 3.19Å; R233-L237 PolarHBondContact O-N 3.06Å; A234-L237 PolarHBondContact O-N 2.9Å; L237-K239 VanDerWaalsContact C-N 3.31Å; L237-K239 PolarHBondContact O-N 3.33Å; L237-L240 CarbonylContact O-C 3.52Å; L237-L240 WeakPolarHBondContact O-CA 3.4Å; L237-L240 VanDerWaalsContact O-CB 3.22Å; L237-L240 WeakPolarHBondContact O-CB 3.39Å; L237-L240 PolarHBondContact O-N 3.19Å; L237-L241 PolarHBondContact O-N 3.47Å
238	I	96	Very high	94.9	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-37.9	177.6	-62.7	163.1	0	0	0	110.6	E148 L149 P151 L152 L190 Y198 A234 L240 L241 S242	E148-I238 WeakPolarHBondContact O-CG2 3.44Å; L149-I238 HydrophobicContact CD2-CD1 4.03Å; P151-I238 HydrophobicContact CB-CG2 4.39Å; L152-I238 HydrophobicContact CB-CG1 4.49Å; L190-I238 HydrophobicContact CD2-CG1 4.11Å; Y198-I238 HydrophobicContact CD2-CD1 4.27Å; Y198-I238 HydrophobicContact CE2-CD1 4.41Å; A234-I238 HydrophobicContact CB-CD1 4.48Å; A234-I238 WeakPolarHBondContact O-CB 3.49Å; A234-I238 WeakPolarHBondContact O-CD1 3.35Å; A234-I238 VanDerWaalsContact O-CG1 3.26Å; A234-I238 WeakPolarHBondContact O-CG1 3.22Å; A234-I238 PolarHBondContact O-N 3.33Å; I238-L240 PolarHBondContact O-N 3.12Å; I238-L241 PolarHBondContact O-N 2.93Å; I238-S242 WeakPolarHBondContact O-CB 3.11Å; I238-S242 PolarHBondContact O-N 3.48Å
239	K	95.1	Very high	94.6	Very high	110 Å²	110	54.2 Å²	54.2	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-71.3	-11.1	171.1	-68.6	174.7	-168.3	79	0	113.6	D235 Y236 L237 K243	D235-K239 WeakPolarHBondContact O-CB 3.42Å; D235-K239 WeakPolarHBondContact O-CD 3.42Å; D235-K239 WeakPolarHBondContact O-CG 3.44Å; D235-K239 PolarHBondContact O-N 3.3Å; D235-K239 PolarHBondContact O-NZ 2.89Å; D235-K239 IonicContact OD2-NZ 2.89Å; D235-K239 PolarHBondContact OD2-NZ 2.97Å; Y236-K239 CarbonylContact O-C 3.58Å; Y236-K239 PolarHBondContact O-N 3.48Å; L237-K239 VanDerWaalsContact C-N 3.31Å; L237-K239 PolarHBondContact O-N 3.33Å; K239-K243 VanDerWaalsContact O-CD 3.29Å; K239-K243 WeakPolarHBondContact O-CD 3.47Å; K239-K243 WeakPolarHBondContact O-CE 3.37Å; K239-K243 WeakPolarHBondContact O-CG 3.39Å
240	L	94.9	Very high	94.4	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-89.4	-46.8	171.7	-163.2	68.5	0	0	0	110.1	I168 Y236 L237 I238 S242 K243 D244	I168-L240 HydrophobicContact CD1-CD2 4.24Å; Y236-L240 PolarHBondContact O-N 2.99Å; L237-L240 CarbonylContact O-C 3.52Å; L237-L240 WeakPolarHBondContact O-CA 3.4Å; L237-L240 VanDerWaalsContact O-CB 3.22Å; L237-L240 WeakPolarHBondContact O-CB 3.39Å; L237-L240 PolarHBondContact O-N 3.19Å; I238-L240 PolarHBondContact O-N 3.12Å; L240-S242 VanDerWaalsContact C-N 3.34Å; L240-S242 PolarHBondContact O-N 2.89Å; L240-K243 WeakPolarHBondContact O-CB 3.15Å; L240-K243 PolarHBondContact O-N 3.04Å; L240-D244 PolarHBondContact O-N 3.23Å
241	L	94.4	Very high	93.9	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-54.8	-46.5	171.7	-67.2	178.5	0	0	0	112	L152 A155 Y166 I168 L190 L237 I238 K243 D244 L245	L152-L241 HydrophobicContact CD1-CD1 3.92Å; A155-L241 HydrophobicContact CB-CB 4.49Å; A155-L241 HydrophobicContact CB-CD1 4.02Å; A155-L241 HydrophobicContact CB-CD2 4.09Å; A155-L241 HydrophobicContact CB-CG 4.44Å; Y166-L241 WeakPolarHBondContact OH-CD2 3.43Å; I168-L241 HydrophobicContact CD1-CD2 4.35Å; I168-L241 HydrophobicContact CG1-CD2 4.02Å; L190-L241 HydrophobicContact CD1-CD1 4.19Å; L190-L241 HydrophobicContact CD2-CD1 4.04Å; L237-L241 PolarHBondContact O-N 3.47Å; I238-L241 PolarHBondContact O-N 2.93Å; L241-K243 PolarHBondContact O-N 2.84Å; L241-D244 PolarHBondContact O-N 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.36Å; L241-L245 PolarHBondContact O-N 3.02Å
242	S	94.1	Very high	93.4	Very high	56 Å²	56	62.6 Å²	62.6	39%	0.392	32%	0.315	S	S	.	.	H	α-helix	trans	-53.3	-39.9	174.6	172.8	0	0	0	0	112.9	I238 L240 A246	I238-S242 WeakPolarHBondContact O-CB 3.11Å; I238-S242 PolarHBondContact O-N 3.48Å; L240-S242 VanDerWaalsContact C-N 3.34Å; L240-S242 PolarHBondContact O-N 2.89Å; S242-A246 WeakPolarHBondContact O-CB 3.4Å; S242-A246 PolarHBondContact O-N 3.1Å; S242-A246 VanDerWaalsContact O-N 3.17Å
243	K	93.4	Very high	92.5	Very high	127 Å²	127	66.4 Å²	66.4	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-78	-27.6	178.1	-68.7	168.5	-173	158.1	0	112.9	K239 L240 L241 K247	K239-K243 VanDerWaalsContact O-CD 3.29Å; K239-K243 WeakPolarHBondContact O-CD 3.47Å; K239-K243 WeakPolarHBondContact O-CE 3.37Å; K239-K243 WeakPolarHBondContact O-CG 3.39Å; L240-K243 WeakPolarHBondContact O-CB 3.15Å; L240-K243 PolarHBondContact O-N 3.04Å; L241-K243 PolarHBondContact O-N 2.84Å; K243-K247 WeakPolarHBondContact O-CD 3.47Å; K243-K247 VanDerWaalsContact O-CG 3.23Å; K243-K247 WeakPolarHBondContact O-CG 3.43Å; K243-K247 PolarHBondContact O-N 2.92Å
244	D	92.2	Very high	91.2	Very high	23 Å²	23	70.1 Å²	70.1	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-72.6	-47.9	175	-167.5	72.2	0	0	0	111.2	L240 L241 A246 K247 R248	L240-D244 PolarHBondContact O-N 3.23Å; L241-D244 PolarHBondContact O-N 3.31Å; D244-A246 PolarHBondContact O-N 3.15Å; D244-K247 WeakPolarHBondContact O-CB 3.45Å; D244-K247 PolarHBondContact O-N 3.42Å; D244-K247 VanDerWaalsContact O-N 3.15Å; D244-R248 WeakPolarHBondContact O-CG 3.23Å; D244-R248 PolarHBondContact O-N 3.3Å; D244-R248 WeakPolarHBondContact OD2-CD 3.3Å; D244-R248 IonicContact OD2-NH1 3.74Å
245	L	91.7	Very high	89.3	Confident	23 Å²	23	72.4 Å²	72.4	12%	0.12	37%	0.371	C	S	.	.	H	α-helix	trans	-55.8	-49.2	173.8	-68	175.3	0	0	0	111.4	P151 K154 A155 L241 K247 R248 E249	P151-L245 HydrophobicContact CB-CD1 4.29Å; P151-L245 WeakPolarHBondContact O-CD1 3.2Å; K154-L245 HydrophobicContact CB-CD1 3.8Å; K154-L245 HydrophobicContact CD-CD1 4.47Å; A155-L245 HydrophobicContact CB-CD1 4.46Å; L241-L245 WeakPolarHBondContact O-CG 3.36Å; L241-L245 PolarHBondContact O-N 3.02Å; L245-K247 VanDerWaalsContact C-N 3.31Å; L245-K247 PolarHBondContact O-N 3.31Å; L245-R248 PolarHBondContact O-N 3.1Å; L245-R248 VanDerWaalsContact O-N 3.1Å; L245-E249 WeakPolarHBondContact O-CB 3.49Å; L245-E249 WeakPolarHBondContact O-CG 3.4Å; L245-E249 PolarHBondContact O-N 3.26Å
246	A	92.6	Very high	87.2	Confident	54 Å²	54	74.8 Å²	74.8	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-60.3	-35.8	177.9	0	0	0	0	0	113.5	S242 D244 A250	S242-A246 WeakPolarHBondContact O-CB 3.4Å; S242-A246 PolarHBondContact O-N 3.1Å; S242-A246 VanDerWaalsContact O-N 3.17Å; D244-A246 PolarHBondContact O-N 3.15Å; A246-A250 WeakPolarHBondContact O-CB 3.29Å; A246-A250 PolarHBondContact O-N 3Å; A246-A250 VanDerWaalsContact O-N 3.07Å
247	K	91.9	Very high	84.9	Confident	130 Å²	130	74.8 Å²	74.8	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-67.2	-45.3	172.3	-73.1	166.6	-177.7	178.5	0	111.7	K243 D244 L245 E249 A250 Q251	K243-K247 WeakPolarHBondContact O-CD 3.47Å; K243-K247 VanDerWaalsContact O-CG 3.23Å; K243-K247 WeakPolarHBondContact O-CG 3.43Å; K243-K247 PolarHBondContact O-N 2.92Å; D244-K247 WeakPolarHBondContact O-CB 3.45Å; D244-K247 PolarHBondContact O-N 3.42Å; D244-K247 VanDerWaalsContact O-N 3.15Å; L245-K247 VanDerWaalsContact C-N 3.31Å; L245-K247 PolarHBondContact O-N 3.31Å; K247-E249 VanDerWaalsContact C-N 3.31Å; K247-E249 PolarHBondContact O-N 3.17Å; K247-A250 PolarHBondContact O-N 3.38Å; K247-Q251 WeakPolarHBondContact O-CB 3.43Å; K247-Q251 WeakPolarHBondContact O-CG 3.33Å; K247-Q251 PolarHBondContact O-N 2.9Å
248	R	89.9	Confident	82.4	Confident	122 Å²	122	82.1 Å²	82.1	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-35.6	-179.4	-70.7	171	68.6	-162.8	2.5	111.3	D244 L245 K252	D244-R248 WeakPolarHBondContact O-CG 3.23Å; D244-R248 PolarHBondContact O-N 3.3Å; D244-R248 WeakPolarHBondContact OD2-CD 3.3Å; D244-R248 IonicContact OD2-NH1 3.74Å; L245-R248 PolarHBondContact O-N 3.1Å; L245-R248 VanDerWaalsContact O-N 3.1Å; R248-K252 VanDerWaalsContact O-CG 3.3Å; R248-K252 WeakPolarHBondContact O-CG 3.33Å; R248-K252 PolarHBondContact O-N 2.79Å
249	E	90.8	Very high	80.1	Confident	93 Å²	93	86 Å²	86	44%	0.435	47%	0.468	S	S	.	.	H	α-helix	trans	-65.7	-47.7	171.9	-72.6	172.1	174.3	0	0	111.5	L245 K247 Q251 K252 Q253	L245-E249 WeakPolarHBondContact O-CB 3.49Å; L245-E249 WeakPolarHBondContact O-CG 3.4Å; L245-E249 PolarHBondContact O-N 3.26Å; K247-E249 VanDerWaalsContact C-N 3.31Å; K247-E249 PolarHBondContact O-N 3.17Å; E249-Q251 PolarHBondContact O-N 3.44Å; E249-K252 WeakPolarHBondContact O-CB 3.41Å; E249-K252 PolarHBondContact O-N 3.15Å; E249-Q253 WeakPolarHBondContact O-CG 3.42Å; E249-Q253 PolarHBondContact O-N 2.84Å
250	A	91.1	Very high	78	Confident	49 Å²	49	91.5 Å²	91.5	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.2	0	0	0	0	0	112.8	A246 K247 Q253 T254	A246-A250 WeakPolarHBondContact O-CB 3.29Å; A246-A250 PolarHBondContact O-N 3Å; A246-A250 VanDerWaalsContact O-N 3.07Å; K247-A250 PolarHBondContact O-N 3.38Å; A250-Q253 PolarHBondContact O-N 3.29Å; A250-T254 PolarHBondContact O-N 3.07Å; A250-T254 PolarHBondContact O-OG1 3.24Å
251	Q	86.5	Confident	75.8	Confident	130 Å²	130	99.2 Å²	99.2	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-61.7	-43.7	174.2	-77.2	174.1	-26.9	0	0	111.7	K247 E249 Q253 T254 G255	K247-Q251 WeakPolarHBondContact O-CB 3.43Å; K247-Q251 WeakPolarHBondContact O-CG 3.33Å; K247-Q251 PolarHBondContact O-N 2.9Å; E249-Q251 PolarHBondContact O-N 3.44Å; Q251-Q253 PolarHBondContact O-N 3.03Å; Q251-T254 PolarHBondContact O-N 2.9Å; Q251-T254 PolarHBondContact O-OG1 3.46Å; Q251-T254 VanDerWaalsContact O-OG1 3.05Å; Q251-G255 PolarHBondContact O-N 3.39Å
252	K	85.8	Confident	73.3	Confident	150 Å²	150	109.2 Å²	109.2	65%	0.652	56%	0.562	S	S	*	*	H	α-helix	trans	-58.9	-45.5	173.8	-75.7	172.7	178	-174.9	0	112.1	R248 E249 G255 T256	R248-K252 VanDerWaalsContact O-CG 3.3Å; R248-K252 WeakPolarHBondContact O-CG 3.33Å; R248-K252 PolarHBondContact O-N 2.79Å; E249-K252 WeakPolarHBondContact O-CB 3.41Å; E249-K252 PolarHBondContact O-N 3.15Å; K252-G255 PolarHBondContact O-N 3.06Å; K252-T256 PolarHBondContact O-N 2.97Å; K252-T256 PolarHBondContact O-OG1 3.31Å
253	Q	77.6	Confident	71	Confident	144 Å²	144	115.6 Å²	115.6	67%	0.673	58%	0.582	S	S	*	*	H	α-helix	trans	-65.4	-38.1	179.4	-69.6	176.2	5	0	0	113.1	E249 A250 Q251 T256	E249-Q253 WeakPolarHBondContact O-CG 3.42Å; E249-Q253 PolarHBondContact O-N 2.84Å; A250-Q253 PolarHBondContact O-N 3.29Å; Q251-Q253 PolarHBondContact O-N 3.03Å; Q253-T256 PolarHBondContact O-OG1 3.33Å; Q253-T256 VanDerWaalsContact O-OG1 3.06Å
254	T	69.2	Low	68.5	Low	95 Å²	95	115.6 Å²	115.6	58%	0.583	60%	0.596	S	S	*	*	H	α-helix	trans	-74.2	-31.7	174.7	55.8	0	0	0	0	113.1	A250 Q251 A257	A250-T254 PolarHBondContact O-N 3.07Å; A250-T254 PolarHBondContact O-OG1 3.24Å; Q251-T254 PolarHBondContact O-N 2.9Å; Q251-T254 PolarHBondContact O-OG1 3.46Å; Q251-T254 VanDerWaalsContact O-OG1 3.05Å; T254-A257 PolarHBondContact O-N 3.05Å
255	G	57.3	Low	65.8	Low	49 Å²	49	125.8 Å²	125.8	51%	0.505	63%	0.632	S	S	.	*	H	α-helix	trans	-66.4	-35	177.1	0	0	0	0	0	113.7	Q251 K252 A257	Q251-G255 PolarHBondContact O-N 3.39Å; K252-G255 PolarHBondContact O-N 3.06Å; G255-A257 VanDerWaalsContact C-N 3.33Å; G255-A257 PolarHBondContact O-N 3.22Å
256	T	53.8	Low	63.4	Low	104 Å²	104	136.1 Å²	136.1	64%	0.638	67%	0.67	S	S	*	*	H	α-helix	trans	-73.3	-21.1	179.6	49.3	0	0	0	0	113.9	K252 Q253 S259	K252-T256 PolarHBondContact O-N 2.97Å; K252-T256 PolarHBondContact O-OG1 3.31Å; Q253-T256 PolarHBondContact O-OG1 3.33Å; Q253-T256 VanDerWaalsContact O-OG1 3.06Å; T256-S259 PolarHBondContact O-OG 3.48Å
257	A	47.2	Very low	61	Low	68 Å²	68	142.9 Å²	142.9	56%	0.562	69%	0.689	S	S	*	*	H	α-helix	trans	-72.1	-40.3	176.6	0	0	0	0	0	113	T254 G255 S259	T254-A257 PolarHBondContact O-N 3.05Å; G255-A257 VanDerWaalsContact C-N 3.33Å; G255-A257 PolarHBondContact O-N 3.22Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-S259 PolarHBondContact O-N 3.4Å
258	N	45.8	Very low	58.4	Low	153 Å²	153	143.2 Å²	143.2	82%	0.818	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	1.4	-170.8	-77	-12.2	0	0	0	115.2
259	S	47.5	Very low	55.9	Low	92 Å²	92	143.7 Å²	143.7	64%	0.643	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-10.6	-178.5	65.1	0	0	0	0	114.4	T256 A257 K261	T256-S259 PolarHBondContact O-OG 3.48Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-S259 PolarHBondContact O-N 3.4Å; S259-K261 PolarHBondContact O-N 3.46Å
260	R	50.4	Low	53.2	Low	227 Å²	227	148.6 Å²	148.6	86%	0.857	74%	0.738	S	S	*	*	S	Bend	trans	-77.8	94.3	-177.1	-76.6	-174.2	170.8	-176.9	-1.8	113.1
261	K	48.8	Very low	50.4	Low	192 Å²	192	152.8 Å²	152.8	84%	0.835	76%	0.759	S	S	*	*			trans	69.2	74.3	155.6	-56	179.3	179.9	177.1	0	117.8	S259	S259-K261 PolarHBondContact O-N 3.46Å
262	K	41.5	Very low	48	Very low	213 Å²	213	154.3 Å²	154.3	93%	0.926	77%	0.77	S	S	*	*			trans	-81.9	113.6	140.2	-83.7	-176.8	177.3	174.2	0	108.8
263	K	45.4	Very low	45.3	Very low	189 Å²	189	156.4 Å²	156.4	82%	0.822	78%	0.779	S	S	*	*			trans	-62.2	140.7	173	-69.4	-177.6	178.2	180	0	109.8	R265	K263-R265 PolarHBondContact O-N 3.03Å
264	P	41.3	Very low	43.1	Very low	128 Å²	128	155.4 Å²	155.4	83%	0.831	79%	0.788	S	S	*	*			trans	-67.5	100.1	170.3	27.9	-33.2	0	0	0	109.6	R266	P264-R266 PolarHBondContact O-N 3.21Å
265	R	36	Very low	41.4	Very low	237 Å²	237	157.5 Å²	157.5	89%	0.894	79%	0.794	S	S	*	*			trans	-76	94.7	179.3	-168.8	173.3	-174.2	167.6	1.4	108.9	K263 K267	K263-R265 PolarHBondContact O-N 3.03Å; R265-K267 PolarHBondContact O-N 3.07Å
266	R	41.4	Very low	40.3	Very low	239 Å²	239	163.9 Å²	163.9	90%	0.902	81%	0.808	S	S	*	*			trans	-42.8	114.5	173.7	-82	-178.2	164.9	-174.2	-5.3	110.1	P264	P264-R266 PolarHBondContact O-N 3.21Å
267	K	41.9	Very low	39.1	Very low	197 Å²	197	161.9 Å²	161.9	86%	0.857	81%	0.809	S	S	*	*			trans	-92.3	106.7	163.5	-76.6	-172.6	175.7	-176.5	0	107.8	R265 V269	R265-K267 PolarHBondContact O-N 3.07Å; K267-V269 PolarHBondContact O-N 2.96Å
268	T	38.1	Very low	38.2	Very low	137 Å²	137	164.7 Å²	164.7	84%	0.84	81%	0.814	S	S	*	*			trans	-67.8	114.5	163.4	29.9	0	0	0	0	108.6
269	V	37.4	Very low	37.6	Very low	132 Å²	132	164.3 Å²	164.3	80%	0.8	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.1	123.6	169.3	-179.8	0	0	0	0	107.3	K267	K267-V269 PolarHBondContact O-N 2.96Å
270	K	34.2	Very low	36.8	Very low	196 Å²	196	165.4 Å²	165.4	85%	0.852	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.8	128.7	168.8	-76.6	-174.4	174.5	-177.8	0	108.9
271	T	32.1	Very low	36.1	Very low	136 Å²	136	161.7 Å²	161.7	83%	0.834	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-62.1	150.7	174.8	-39.4	0	0	0	0	111.3
272	L	34.5	Very low	35.1	Very low	162 Å²	162	161.5 Å²	161.5	85%	0.848	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-62.3	152.6	171.8	-76.1	74.1	0	0	0	111.2
273	K	30.4	Very low	34.5	Very low	195 Å²	195	156.6 Å²	156.6	85%	0.848	80%	0.802	S	S	*	*			trans	-108.8	129.6	152.1	-102.8	-173.7	174.1	-176.2	0	108.3
274	S	30.3	Very low	34.4	Very low	122 Å²	122	153.2 Å²	153.2	85%	0.853	80%	0.799	S	S	*	*			trans	-127.2	157.8	152.6	-166.7	0	0	0	0	107.6
275	I	33.5	Very low	33.7	Very low	139 Å²	139	151.9 Å²	151.9	71%	0.713	79%	0.793	S	S	*	*			trans	-124.4	115.3	-160.3	-67.8	179.9	0	0	0	112.1
276	K	34.3	Very low	33.4	Very low	183 Å²	183	145.3 Å²	145.3	80%	0.796	78%	0.784	S	S	*	*			trans	67.1	141.4	146.1	-160	178.3	179.9	-166.6	0	119.4	D278	K276-D278 WeakPolarHBondContact CE-OD1 3.44Å
277	G	28.2	Very low	32.7	Very low	63 Å²	63	140.8 Å²	140.8	65%	0.649	78%	0.777	S	S	*	*			trans	172	38.4	172.7	0	0	0	0	0	115.2
278	D	30	Very low	32	Very low	126 Å²	126	138.4 Å²	138.4	67%	0.674	77%	0.773	S	S	*	*			trans	56.3	163.1	155.7	-44.3	-38.3	0	0	0	118.5	K276	K276-D278 WeakPolarHBondContact CE-OD1 3.44Å
279	D	31.6	Very low	31.4	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	77%	0.769	S	S	*	*			cis	-152	178.1	4.9	-153	-20.2	0	0	0	111.2
280	V	31.2	Very low	30.9	Very low	116 Å²	116	136.3 Å²	136.3	70%	0.703	77%	0.765	S	S	*	*			trans	70	131.9	160.3	170	0	0	0	0	118.4
281	I	35.9	Very low	30.5	Very low	148 Å²	148	132.6 Å²	132.6	76%	0.759	75%	0.754	S	S	*	*			cis	-148.6	146.2	-15.4	-106.6	172.4	0	0	0	109.8
282	K	28.5	Very low	30.4	Very low	188 Å²	188	134.5 Å²	134.5	82%	0.817	75%	0.751	S	S	*	*			trans	7.9	114.7	165.4	-62.2	175.7	178.6	174.4	0	122.5
283	S	28.8	Very low	30.1	Very low	111 Å²	111	138 Å²	138	78%	0.776	75%	0.753	S	S	*	*				20.4	165.8	104.9	-30.3	0	0	0	0	121.6
284	P	42.5	Very low	30	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	74%	0.743	S	S	*	*			cis	-145.1	165.4	9.4	43.1	-24	0	0	0	119.7
285	S	26	Very low	30	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	74%	0.74	S	S	*	*			trans	57.4	146.9	134	-164.1	0	0	0	0	124.7
286	S	30.4	Very low	30	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	74%	0.743	S	S	*	*			trans	65.8	164.5	148.8	35.9	0	0	0	0	118.6
287	D	26.5	Very low	30.2	Very low	143 Å²	143	131.6 Å²	131.6	77%	0.765	74%	0.736	S	S	*	*			cis	173	146.8	-41.1	-117.2	-49.6	0	0	0	105.2
288	L	27.6	Very low	30.5	Very low	148 Å²	148	134.3 Å²	134.3	78%	0.775	74%	0.735	S	S	*	*			trans	62.7	121.6	161.6	-60	174.2	0	0	0	122
289	T	26.2	Very low	30.9	Very low	124 Å²	124	135.4 Å²	135.4	76%	0.761	74%	0.736	S	S	*	*			trans	79.4	134.6	132.4	54	0	0	0	0	124.8
290	S	26.3	Very low	31	Very low	101 Å²	101	135 Å²	135	71%	0.706	73%	0.733	S	S	*	*			trans	89	116.5	141.6	67.5	0	0	0	0	122.5
291	D	26.4	Very low	31	Very low	118 Å²	118	136.4 Å²	136.4	63%	0.631	74%	0.736	S	S	*	*			trans	59.3	108.8	132.4	-70.3	-92.6	0	0	0	124.8
292	K	30	Very low	30.8	Very low	176 Å²	176	135.5 Å²	135.5	77%	0.765	74%	0.738	S	S	*	*				61.6	115.2	128.6	-59.6	-178.2	178.5	94.7	0	120
293	R	26.8	Very low	31.1	Very low	236 Å²	236	133 Å²	133	89%	0.891	73%	0.729	S	S	*	*				-177.1	150.3	112.3	-99	159.2	-172.7	-86.8	1.6	114.3
294	S	29.2	Very low	31.3	Very low	92 Å²	92	134.4 Å²	134.4	64%	0.643	72%	0.721	S	S	*	*			trans	53.9	124	149.9	54.4	0	0	0	0	123
295	D	29.6	Very low	30.9	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	72%	0.724	S	S	*	*			trans	75.7	128.9	132.9	-48	-10.3	0	0	0	122
296	D	33.5	Very low	31.3	Very low	147 Å²	147	141.1 Å²	141.1	79%	0.786	72%	0.723	S	S	*	*			trans	35.9	146	135.6	-62	-168.5	0	0	0	121.1
297	D	38.5	Very low	31.3	Very low	120 Å²	120	140.9 Å²	140.9	64%	0.642	73%	0.727	S	S	*	*			cis	-158.8	158.5	23.7	-150.9	-3.8	0	0	0	114.8
298	N	34.7	Very low	31.6	Very low	119 Å²	119	140.9 Å²	140.9	64%	0.636	73%	0.733	S	S	*	*			trans	53.4	148.2	152.2	-77.2	-41.4	0	0	0	123
299	E	38.3	Very low	31.7	Very low	149 Å²	149	137 Å²	137	70%	0.696	73%	0.729	S	S	*	*			cis	-168.6	164.7	-26.3	-140.3	-160.9	160.6	0	0	111
300	I	34.3	Very low	31.8	Very low	138 Å²	138	141.7 Å²	141.7	71%	0.708	74%	0.738	S	S	*	*			trans	64.5	138.3	160.5	-58.9	161.6	0	0	0	116.5
301	D	30.7	Very low	32	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	74%	0.742	S	S	*	*			cis	-129.5	178.8	11.3	-153.1	-10.3	0	0	0	112.9
302	V	31.5	Very low	32.8	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	75%	0.751	S	S	*	*			trans	-89.9	158	-144	172.1	0	0	0	0	117.8
303	E	35	Very low	32.8	Very low	136 Å²	136	139.7 Å²	139.7	64%	0.636	75%	0.753	S	S	*	*			trans	-52.3	151.4	-173.6	-58.1	-157	105.2	0	0	117.2
304	K	33.2	Very low	32.7	Very low	139 Å²	139	138.7 Å²	138.7	60%	0.604	76%	0.755	S	S	*	*				68.7	119.4	53.4	151.6	-168.2	166	-138.1	0	111.9	M306	K304-M306 HydrophobicContact CD-CE 4.48Å; K304-M306 HydrophobicContact CG-CG 4.41Å
305	R	33.8	Very low	32.5	Very low	219 Å²	219	141.9 Å²	141.9	83%	0.826	76%	0.759	S	S	*	*			cis	83.5	160.6	38.5	-162.8	-164.8	-148.6	-110.4	9.2	112.2
306	M	34.5	Very low	32.4	Very low	141 Å²	141	140.6 Å²	140.6	70%	0.695	76%	0.757	S	S	*	*			trans	90.6	159.6	166.5	-47.7	-158.6	-163.7	0	0	114.2	K304	K304-M306 HydrophobicContact CD-CE 4.48Å; K304-M306 HydrophobicContact CG-CG 4.41Å
307	A	31.6	Very low	32	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	75%	0.751	S	S	*	*			cis	-143.4	174.2	19.3	0	0	0	0	0	117.9
308	T	31.7	Very low	31.7	Very low	144 Å²	144	142.6 Å²	142.6	88%	0.883	76%	0.757	S	S	*	*			trans	-63.9	164.9	169	49.7	0	0	0	0	113.1
309	G	30	Very low	31.4	Very low	67 Å²	67	142.8 Å²	142.8	69%	0.691	76%	0.758	S	S	*	*			cis	152	176.6	1.9	0	0	0	0	0	112
310	K	27.7	Very low	30.8	Very low	222 Å²	222	141.2 Å²	141.2	97%	0.965	76%	0.759	S	S	*	*			trans	77.2	160.8	-173.8	-66.8	-177.1	175.5	176.7	0	116.9
311	A	31.6	Very low	30.8	Very low	94 Å²	94	140.4 Å²	140.4	78%	0.777	76%	0.756	S	S	*	*			trans	-112	173.8	-178.5	0	0	0	0	0	109.4
312	P	42.1	Very low	30.7	Very low	127 Å²	127	142.4 Å²	142.4	83%	0.825	76%	0.758	S	S	*	*			cis	-137.7	-162.6	24	43.3	-22.8	0	0	0	116.5
313	T	29.8	Very low	30.4	Very low	132 Å²	132	139.6 Å²	139.6	81%	0.81	76%	0.755	S	S	*	*			trans	-66.2	139.8	-167	51.4	0	0	0	0	118.1
314	K	25.6	Very low	30	Very low	215 Å²	215	142 Å²	142	94%	0.935	76%	0.763	S	S	*	*				-163.1	171.3	128.3	-106.9	170.8	-176.6	-175.5	0	110.8
315	H	26	Very low	29.7	Very low	158 Å²	158	142.1 Å²	142.1	73%	0.731	77%	0.77	S	S	*	*			trans	-115.9	-175.4	-164.7	-156.1	-94.4	0	0	0	112.9
316	V	25.6	Very low	29.4	Very low	119 Å²	119	138.7 Å²	138.7	72%	0.721	77%	0.769	S	S	*	*			trans	89.9	115	-176.8	-179.5	0	0	0	0	111.3
317	Q	26.8	Very low	29.1	Very low	140 Å²	140	142 Å²	142	65%	0.654	77%	0.774	S	S	*	*				74	149	52.6	-65.2	173.1	-66.4	0	0	112.4
318	E	30.8	Very low	28.8	Very low	168 Å²	168	143.7 Å²	143.7	79%	0.785	77%	0.771	S	S	*	*			cis	-149.1	-150	10	-145.7	-178.7	148.1	0	0	112.7
319	D	28.7	Very low	28.5	Very low	123 Å²	123	143.8 Å²	143.8	66%	0.658	76%	0.761	S	S	*	*			trans	74.3	135.5	173.9	-78.7	-45.4	0	0	0	118.3
320	T	26.1	Very low	28.3	Very low	117 Å²	117	147 Å²	147	72%	0.718	76%	0.762	S	S	*	*	S	Bend	cis	-138.1	106.1	28.7	-56.3	0	0	0	0	114.5
321	L	33.9	Very low	28.4	Very low	120 Å²	120	143.2 Å²	143.2	63%	0.628	75%	0.748	S	S	*	*			trans	65	153.4	144.3	-51	178.1	0	0	0	119.8
322	K	29.2	Very low	28.2	Very low	188 Å²	188	145.3 Å²	145.3	82%	0.817	74%	0.742	S	S	*	*			cis	-161.6	147.7	1.4	-132.1	161.7	-171.4	167.1	0	111.6
323	G	24.7	Very low	27.6	Very low	70 Å²	70	147 Å²	147	72%	0.722	74%	0.738	S	S	*	*			trans	149.7	80.7	151	0	0	0	0	0	121.3
324	K	27.2	Very low	27.4	Very low	185 Å²	185	149 Å²	149	80%	0.804	74%	0.739	S	S	*	*			trans	60.5	117.5	149.4	-59.9	-171.1	173.2	-170.8	0	122.3
325	D	26.5	Very low	27.3	Very low	142 Å²	142	143.1 Å²	143.1	76%	0.759	73%	0.73	S	S	*	*				35.2	142.8	106.6	-21.4	-43	0	0	0	118.9
326	D	27.2	Very low	27.3	Very low	148 Å²	148	141.3 Å²	141.3	79%	0.791	74%	0.735	S	S	*	*			cis	-158.5	-176.2	19.8	-147.9	-25.4	0	0	0	112.9
327	Y	27.5	Very low	27.2	Very low	209 Å²	209	141.2 Å²	141.2	82%	0.82	74%	0.74	S	S	*	*			trans	-70.3	154.2	-177.8	-77.8	-112.5	0	0	0	115.5
328	N	25.7	Very low	27.2	Very low	129 Å²	129	139.8 Å²	139.8	69%	0.69	75%	0.745	S	S	*	*				176.9	-178.4	95.5	-137	31	0	0	0	116.7
329	E	26.9	Very low	27	Very low	147 Å²	147	140.9 Å²	140.9	69%	0.687	75%	0.75	S	S	*	*			trans	-60.8	163.9	-162.2	-66.6	158.1	128.8	0	0	122.6
330	D	24.8	Very low	26.9	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	75%	0.751	S	S	*	*			trans	100.4	136.5	132.2	-83.3	-3.5	0	0	0	128.1
331	H	30.2	Very low	26.9	Very low	144 Å²	144	145.9 Å²	145.9	67%	0.667	75%	0.753	S	S	*	*			trans	51.7	112.6	153.6	-76	-83.2	0	0	0	125.4
332	E	26.8	Very low	26.4	Very low	137 Å²	137	146.4 Å²	146.4	64%	0.64	76%	0.756	S	S	*	*				75.7	115.9	126.1	-71.8	-175.9	-141.1	0	0	125.7
333	H	28.8	Very low	26.1	Very low	163 Å²	163	142.7 Å²	142.7	76%	0.755	75%	0.753	S	S	*	*			trans	65.7	152.2	132	-60.1	-37.8	0	0	0	120.4
334	Q	25.7	Very low	26.2	Very low	175 Å²	175	148.1 Å²	148.1	82%	0.818	76%	0.759	S	S	*	*			cis	-153.1	144.8	20.2	-159.1	175.4	72.6	0	0	113.8
335	A	25.3	Very low	26.1	Very low	91 Å²	91	145.8 Å²	145.8	75%	0.752	75%	0.751	S	S	*	*			trans	57.6	139.6	157.6	0	0	0	0	0	121
336	S	24.4	Very low	26.3	Very low	119 Å²	119	146.2 Å²	146.2	83%	0.832	75%	0.746	S	S	*	*			cis	-153.1	151.8	-11.6	52.7	0	0	0	0	111.3
337	S	24.4	Very low	26.1	Very low	118 Å²	118	147.8 Å²	147.8	83%	0.825	75%	0.749	S	S	*	*			trans	-114.6	176.7	174.9	-170.3	0	0	0	0	110.7
338	S	26.6	Very low	26	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	75%	0.745	S	S	*	*			trans	-143.8	116.5	176.6	-65.7	0	0	0	0	111
339	E	27.1	Very low	26	Very low	192 Å²	192	145.5 Å²	145.5	90%	0.897	76%	0.757	S	S	*	*			trans	-165	135.3	156.2	-111.6	161.8	-158.9	0	0	112.9
340	E	25.2	Very low	25.9	Very low	143 Å²	143	146.8 Å²	146.8	67%	0.668	76%	0.761	S	S	*	*			trans	45.4	124.1	156.1	-54	-147.7	152.4	0	0	126.3
341	R	27	Very low	25.8	Very low	202 Å²	202	150.1 Å²	150.1	76%	0.762	77%	0.772	S	S	*	*			trans	71.1	153.5	141.3	-68.1	-175.6	-84.5	150.7	-5.6	118.6
342	D	23.1	Very low	25.5	Very low	131 Å²	131	151 Å²	151	70%	0.701	78%	0.777	S	S	*	*			cis	-149.2	-163.4	5.6	-136.6	-53.2	0	0	0	113.6
343	C	24	Very low	25.5	Very low	110 Å²	110	148.7 Å²	148.7	74%	0.743	78%	0.781	S	S	*	*			trans	-81.1	-169.6	-170.2	-49.4	0	0	0	0	116.6
344	E	24.8	Very low	25.2	Very low	183 Å²	183	150 Å²	150	86%	0.855	79%	0.787	S	S	*	*			cis	-135	-163.5	1.3	-69.6	-166	77.9	0	0	109.4
345	E	25.7	Very low	25.1	Very low	136 Å²	136	146.1 Å²	146.1	64%	0.636	78%	0.779	S	S	*	*			cis	-143	-117.4	4.5	-161.4	-157.7	111.3	0	0	110
346	K	30.4	Very low	25	Very low	151 Å²	151	148.3 Å²	148.3	66%	0.657	79%	0.788	S	S	*	*			cis	-157.2	155.3	-6	-160.8	121.5	-165.7	76.7	0	112.5
347	E	24.6	Very low	25	Very low	182 Å²	182	147.9 Å²	147.9	85%	0.85	78%	0.776	S	S	*	*			trans	61	130.8	169.7	-60.2	-136.1	134.4	0	0	120.2
348	G	25.3	Very low	25.3	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	78%	0.775	S	S	*	*			cis	-176.9	158.7	-5.7	0	0	0	0	0	117
349	K	25.5	Very low	25.6	Very low	217 Å²	217	151.9 Å²	151.9	94%	0.943	77%	0.771	S	S	*	*			trans	68.8	138.2	170.2	-75.1	-169.6	173.7	-174.6	0	121.5
350	K	23.4	Very low	25.7	Very low	175 Å²	175	149.4 Å²	149.4	76%	0.761	76%	0.759	S	S	*	*			trans	-93.3	161.7	160.7	-52.8	174.2	174.3	-173.2	0	110
351	E	23.4	Very low	25.7	Very low	202 Å²	202	147.9 Å²	147.9	94%	0.944	76%	0.764	S	S	*	*			trans	-137.6	165	133.9	-71.5	-163.3	154.7	0	0	109
352	E	23.8	Very low	25.7	Very low	164 Å²	164	145.2 Å²	145.2	77%	0.766	76%	0.758	S	S	*	*			trans	-148.4	146	-164.4	-177.5	169.1	-168.1	0	0	112.2
353	A	26.1	Very low	25.6	Very low	88 Å²	88	147.5 Å²	147.5	73%	0.727	77%	0.765	S	S	*	*			trans	53.6	126.6	162.5	0	0	0	0	0	121.5
354	E	23.9	Very low	26.4	Very low	190 Å²	190	146.9 Å²	146.9	89%	0.888	76%	0.759	S	S	*	*				-170.7	157.4	119.4	-106	-162.9	-175.8	0	0	109.9
355	S	22.3	Very low	26.4	Very low	93 Å²	93	144.9 Å²	144.9	65%	0.65	75%	0.753	S	S	*	*			cis	-152.4	156.4	-6.2	50.8	0	0	0	0	110.6
356	C	23.2	Very low	26.4	Very low	138 Å²	138	146.8 Å²	146.8	93%	0.932	76%	0.762	S	S	*	*			trans	-169.8	65.3	163.5	-97.9	0	0	0	0	111.2
357	D	24.8	Very low	26.1	Very low	110 Å²	110	147.6 Å²	147.6	59%	0.588	77%	0.766	S	S	*	*			trans	-77.9	164.4	160.3	-119.5	-54.7	0	0	0	108.3	K359	D357-K359 VanDerWaalsContact CG-NZ 3.33Å; D357-K359 VanDerWaalsContact OD1-CD 3.29Å; D357-K359 WeakPolarHBondContact OD1-CD 3.45Å; D357-K359 WeakPolarHBondContact OD1-CE 3.3Å; D357-K359 PolarHBondContact OD1-N 3.3Å; D357-K359 IonicContact OD1-NZ 2.82Å; D357-K359 PolarHBondContact OD1-NZ 3.05Å; D357-K359 IonicContact OD2-NZ 3.67Å; D357-K359 PolarHBondContact OD2-NZ 2.92Å
358	I	30.8	Very low	26.1	Very low	158 Å²	158	145.6 Å²	145.6	81%	0.81	76%	0.756	S	S	*	*			cis	-138.8	133.1	40.2	-65.4	170.9	0	0	0	113.4
359	K	33.7	Very low	26	Very low	152 Å²	152	149 Å²	149	66%	0.661	75%	0.753	S	S	*	*			trans	-9.5	166.8	150.1	-66.1	133	177.7	143.5	0	122.2	D357	D357-K359 VanDerWaalsContact CG-NZ 3.33Å; D357-K359 VanDerWaalsContact OD1-CD 3.29Å; D357-K359 WeakPolarHBondContact OD1-CD 3.45Å; D357-K359 WeakPolarHBondContact OD1-CE 3.3Å; D357-K359 PolarHBondContact OD1-N 3.3Å; D357-K359 IonicContact OD1-NZ 2.82Å; D357-K359 PolarHBondContact OD1-NZ 3.05Å; D357-K359 IonicContact OD2-NZ 3.67Å; D357-K359 PolarHBondContact OD2-NZ 2.92Å
360	E	28.5	Very low	25.9	Very low	141 Å²	141	146 Å²	146	66%	0.659	75%	0.747	S	S	*	*			cis	-113.2	-115.5	-6	-158.9	-168.7	64.2	0	0	112.1	K362	E360-K362 IonicContact OE1-NZ 2.78Å; E360-K362 PolarHBondContact OE1-NZ 2.84Å; E360-K362 IonicContact OE2-NZ 2.76Å; E360-K362 PolarHBondContact OE2-NZ 2.99Å
361	S	25.4	Very low	26	Very low	111 Å²	111	145.3 Å²	145.3	78%	0.776	75%	0.752	S	S	*	*			cis	-148.2	-178	-0.6	64.6	0	0	0	0	111.8
362	K	26.4	Very low	26.1	Very low	146 Å²	146	141.8 Å²	141.8	64%	0.635	74%	0.739	S	S	*	*			trans	-114.9	140.4	-163.8	-66.8	171.5	-178.8	94.5	0	115.2	E360	E360-K362 IonicContact OE1-NZ 2.78Å; E360-K362 PolarHBondContact OE1-NZ 2.84Å; E360-K362 IonicContact OE2-NZ 2.76Å; E360-K362 PolarHBondContact OE2-NZ 2.99Å
363	E	21.3	Very low	26.2	Very low	179 Å²	179	137.6 Å²	137.6	84%	0.836	74%	0.74	S	S	*	*				33.3	161.1	129.1	-65.7	-163	146.5	0	0	123.2
364	P	39.9	Very low	26.3	Very low	97 Å²	97	140.5 Å²	140.5	63%	0.63	74%	0.738	S	S	*	*			cis	-143.6	-162	-35.9	39.5	-20	0	0	0	114
365	I	25.1	Very low	26.7	Very low	141 Å²	141	141.3 Å²	141.3	72%	0.723	74%	0.739	S	S	*	*			trans	87.6	148.3	152.8	-74.3	167.7	0	0	0	120.5
366	Q	27.1	Very low	27	Very low	175 Å²	175	142.3 Å²	142.3	82%	0.818	74%	0.741	S	S	*	*			trans	69.9	162.7	169.4	-79.3	159.8	30.1	0	0	119
367	K	22.8	Very low	27.3	Very low	169 Å²	169	142.6 Å²	142.6	74%	0.735	73%	0.732	S	S	*	*				175.3	157.1	-52.1	-118.5	-169	171.5	-164.7	0	109.1
368	Q	24.6	Very low	27.3	Very low	139 Å²	139	145.2 Å²	145.2	65%	0.65	74%	0.741	S	S	*	*			trans	69.8	121.9	158.6	-69.7	-176.6	-96	0	0	116
369	E	23.4	Very low	27.2	Very low	145 Å²	145	142.7 Å²	142.7	68%	0.678	73%	0.732	S	S	*	*				83	119.1	75.5	-71.9	164.1	-173.9	0	0	112.7
370	D	24.7	Very low	27	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	74%	0.743	S	S	*	*			trans	38.4	134.9	130.8	-46.5	-32.8	0	0	0	119.3
371	D	25	Very low	26.8	Very low	160 Å²	160	143.8 Å²	143.8	86%	0.856	74%	0.744	S	S	*	*				-161.3	-178.9	73.6	-167.8	25.2	0	0	0	114.6
372	N	24.8	Very low	26.7	Very low	128 Å²	128	146.8 Å²	146.8	68%	0.684	75%	0.746	S	S	*	*			trans	-61.8	166.6	-178	-169	11.8	0	0	0	116.2	E374	N372-E374 PolarHBondContact OD1-N 3.12Å
373	G	25.7	Very low	26.8	Very low	76 Å²	76	144.7 Å²	144.7	78%	0.784	75%	0.745	S	S	*	*			trans	-163.5	38.7	-177.1	0	0	0	0	0	115.1
374	E	29.7	Very low	27.1	Very low	148 Å²	148	146 Å²	146	69%	0.692	74%	0.742	S	S	*	*			trans	-65	134.4	-179.9	-178.1	177.6	-165.1	0	0	113.9	N372 V376	N372-E374 PolarHBondContact OD1-N 3.12Å; E374-V376 HydrophobicContact CG-CG2 4.48Å
375	K	30.9	Very low	26.4	Very low	208 Å²	208	146.6 Å²	146.6	90%	0.904	74%	0.737	S	S	*	*			trans	-157.3	148.1	152.2	-116.1	162.2	-171.8	171.7	0	112.8
376	V	28.4	Very low	26.7	Very low	113 Å²	113	148.5 Å²	148.5	69%	0.685	74%	0.735	S	S	*	*			trans	-123.2	174.5	-166.2	178.4	0	0	0	0	110.1	E374	E374-V376 HydrophobicContact CG-CG2 4.48Å
377	I	30.4	Very low	26.7	Very low	145 Å²	145	146.1 Å²	146.1	74%	0.744	73%	0.732	S	S	*	*			trans	119.9	92.9	166.7	-65.2	163.9	0	0	0	110.2
378	E	25.4	Very low	27.3	Very low	165 Å²	165	145.6 Å²	145.6	77%	0.771	73%	0.73	S	S	*	*				81.8	153.8	85.6	-80.9	-155.6	121.9	0	0	113.7
379	V	29	Very low	27.4	Very low	104 Å²	104	149.5 Å²	149.5	63%	0.63	74%	0.739	S	S	*	*			cis	-161.3	144.3	-24	125.9	0	0	0	0	107.4
380	K	27.8	Very low	27.5	Very low	205 Å²	205	147.3 Å²	147.3	89%	0.891	75%	0.746	S	S	*	*			trans	-161.9	155	136.9	-119.8	174.5	-177.9	177.3	0	113.2
381	T	25.1	Very low	27.6	Very low	111 Å²	111	145.6 Å²	145.6	68%	0.681	75%	0.746	S	S	*	*			trans	-139.4	157.1	-162.8	46	0	0	0	0	110.9
382	E	23.9	Very low	27.7	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	75%	0.746	S	S	*	*			trans	-168.6	130.2	130.9	-86.5	-134.8	120.3	0	0	107.6
383	V	28.3	Very low	27.8	Very low	102 Å²	102	148.1 Å²	148.1	62%	0.618	76%	0.758	S	S	*	*				83.3	131.9	57.7	164.7	0	0	0	0	110.3
384	R	26.3	Very low	27.7	Very low	206 Å²	206	149 Å²	149	78%	0.777	75%	0.753	S	S	*	*			cis	-149.6	-179.7	12.2	-133	160.1	69.3	-128.1	-2.5	108.7
385	E	26.8	Very low	27.5	Very low	109 Å²	109	148.9 Å²	148.9	51%	0.509	76%	0.762	S	S	.	*			cis	-143.3	-92.4	5.9	-171.4	161.1	160.8	0	0	115.8
386	R	29.9	Very low	27.4	Very low	182 Å²	182	146.7 Å²	146.7	69%	0.687	76%	0.755	S	S	*	*			trans	-151.9	162.1	-156.5	-72	163.7	-176.3	150	-8.1	112.8
387	T	28	Very low	27.3	Very low	124 Å²	124	150 Å²	150	76%	0.761	76%	0.76	S	S	*	*				-174.7	119.4	84.2	-63.1	0	0	0	0	108.4
388	K	34.4	Very low	27.1	Very low	159 Å²	159	147.5 Å²	147.5	69%	0.691	76%	0.761	S	S	*	*				48.1	139	96.5	-72	178	-178.7	176.4	0	114.3
389	R	28.4	Very low	27.4	Very low	220 Å²	220	150.6 Å²	150.6	83%	0.83	77%	0.767	S	S	*	*			cis	-149.7	144.1	1	-97.6	163	173.6	164.3	-6.4	105.5
390	A	24.1	Very low	27.3	Very low	100 Å²	100	152 Å²	152	83%	0.826	78%	0.776	S	S	*	*				67.8	102.9	65.8	0	0	0	0	0	115.8
391	S	28	Very low	27.8	Very low	118 Å²	118	147 Å²	147	83%	0.825	77%	0.773	S	S	*	*			trans	-151.8	135.4	158.7	56.1	0	0	0	0	109.5
392	N	26.1	Very low	27.9	Very low	161 Å²	161	149 Å²	149	86%	0.861	78%	0.779	S	S	*	*			trans	-88.3	159	-171.3	-55.2	-60.7	0	0	0	113.2
393	L	27.1	Very low	28.7	Very low	179 Å²	179	148 Å²	148	94%	0.937	78%	0.78	S	S	*	*				-159.4	159.6	114.5	-106.6	167.9	0	0	0	111.3
394	S	23.5	Very low	29	Very low	95 Å²	95	149.1 Å²	149.1	66%	0.664	79%	0.787	S	S	*	*			trans	-139	134.8	-171.2	171.8	0	0	0	0	110.7
395	V	26.8	Very low	29.6	Very low	146 Å²	146	144.3 Å²	144.3	89%	0.885	78%	0.782	S	S	*	*			trans	-146.5	147.8	149.2	175.2	0	0	0	0	107.7
396	Q	27.8	Very low	29.8	Very low	162 Å²	162	146.2 Å²	146.2	76%	0.757	80%	0.801	S	S	*	*			trans	-103.1	153.3	178.3	-59.9	-177.2	-10.2	0	0	112.7
397	K	26.6	Very low	29.7	Very low	183 Å²	183	142.5 Å²	142.5	80%	0.796	80%	0.802	S	S	*	*			trans	65.1	108.3	135	-175.2	-173.3	-176.1	-178.5	0	119.2
398	A	25.1	Very low	30.3	Very low	92 Å²	92	145.3 Å²	145.3	76%	0.76	81%	0.806	S	S	*	*			trans	-142.7	141	135.8	0	0	0	0	0	109.6
399	Y	32.9	Very low	30	Very low	229 Å²	229	146.5 Å²	146.5	90%	0.898	81%	0.814	S	S	*	*			trans	-106.2	114.4	168.3	-81.8	-100.5	0	0	0	108
400	T	25.5	Very low	30.6	Very low	134 Å²	134	140.2 Å²	140.2	82%	0.822	80%	0.804	S	S	*	*			trans	-126.9	135.1	164.7	44.7	0	0	0	0	108
401	A	38.6	Very low	32.2	Very low	101 Å²	101	139.8 Å²	139.8	84%	0.835	79%	0.785	S	S	*	*			trans	-80.3	135.7	-177	0	0	0	0	0	110.5
402	D	27.2	Very low	33.8	Very low	151 Å²	151	141.7 Å²	141.7	81%	0.807	78%	0.781	S	S	*	*			trans	-145.7	150.2	157.7	-131	-34.9	0	0	0	111.6	V404	D402-V404 PolarHBondContact O-N 3.26Å
403	N	40.4	Very low	36	Very low	155 Å²	155	135 Å²	135	83%	0.829	75%	0.745	S	S	*	*			trans	-90.8	86.6	-174.9	-80.9	-101.8	0	0	0	110.5	P405	N403-P405 WeakPolarHBondContact O-CD 3.42Å
404	V	35.4	Very low	38.6	Very low	126 Å²	126	131.5 Å²	131.5	76%	0.764	73%	0.727	S	S	*	*			trans	-67.4	119.9	171.2	-178.4	0	0	0	0	109.4	D402	D402-V404 PolarHBondContact O-N 3.26Å
405	P	39	Very low	41.5	Very low	105 Å²	105	134 Å²	134	68%	0.682	73%	0.728	S	S	*	*			trans	-69.9	132.8	173.6	29.4	-33.3	0	0	0	109.6	N403 C407	N403-P405 WeakPolarHBondContact O-CD 3.42Å; P405-C407 PolarHBondContact O-N 2.81Å
406	V	31.5	Very low	44.2	Very low	149 Å²	149	137.4 Å²	137.4	90%	0.903	73%	0.725	S	S	*	*			trans	-69.3	99.1	176.3	179.2	0	0	0	0	109.3
407	C	28.1	Very low	47	Very low	104 Å²	104	130.7 Å²	130.7	70%	0.703	70%	0.695	S	S	*	*			trans	-108.9	148.8	168.8	-138.4	0	0	0	0	109.5	P405 E409	P405-C407 PolarHBondContact O-N 2.81Å; C407-E409 PolarHBondContact O-N 3.46Å
408	E	39.4	Very low	49.9	Very low	182 Å²	182	125 Å²	125	85%	0.85	67%	0.671	S	S	*	*			trans	48.1	60.9	165.6	-55.6	-163.9	128.4	0	0	117.9	S410	E408-S410 PolarHBondContact O-N 3.33Å; E408-S410 VanDerWaalsContact O-N 3.12Å
409	E	29.4	Very low	52.8	Low	185 Å²	185	123.4 Å²	123.4	86%	0.864	65%	0.654	S	S	*	*			trans	-70.2	100.2	145.5	-171.3	175	-120.8	0	0	107.8	C407	C407-E409 PolarHBondContact O-N 3.46Å
410	S	40.7	Very low	55.3	Low	88 Å²	88	115.2 Å²	115.2	62%	0.615	63%	0.628	S	S	*	*			trans	-66.8	171.9	-177.5	-168.5	0	0	0	0	112.5	E408 E412	E408-S410 PolarHBondContact O-N 3.33Å; E408-S410 VanDerWaalsContact O-N 3.12Å; S410-E412 PolarHBondContact O-N 3.34Å
411	E	57.4	Low	58.3	Low	91 Å²	91	108.9 Å²	108.9	43%	0.425	59%	0.589	S	S	.	*	S	Bend	trans	-75.8	56	176.3	-64.5	-160.7	147.3	0	0	112.3	K488	E411-K488 WeakPolarHBondContact O-CE 3.43Å; E411-K488 PolarHBondContact O-NZ 3.09Å
412	E	60.8	Low	60.7	Low	157 Å²	157	110 Å²	110	73%	0.734	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-94.8	152.1	167	-59.6	-151.4	108.1	0	0	110.9	S410	S410-E412 PolarHBondContact O-N 3.34Å
413	L	73.2	Confident	63.7	Low	22 Å²	22	107.3 Å²	107.3	12%	0.115	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-99.7	137.9	165.1	-98.2	59	0	0	0	106.6	Q415 T417 F418 C421 N481 I484 F485	L413-Q415 PolarHBondContact O-N 3.44Å; L413-T417 HydrophobicContact CB-CG2 4.37Å; L413-T417 HydrophobicContact CD2-CG2 3.95Å; L413-T417 HydrophobicContact CG-CG2 3.85Å; L413-F418 HydrophobicContact CB-CB 4.01Å; L413-C421 HydrophobicContact CD2-CB 4.18Å; L413-N481 HydrophobicContact CD2-CB 4.21Å; L413-N481 HydrophobicContact CG-CB 4.48Å; L413-I484 HydrophobicContact CD1-CB 3.75Å; L413-I484 HydrophobicContact CD1-CD1 4.35Å; L413-I484 HydrophobicContact CD1-CG2 3.48Å; L413-I484 VanDerWaalsContact CD1-CG2 3.48Å; L413-F485 HydrophobicContact CD2-CB 4.29Å
414	D	82.3	Confident	65.8	Low	105 Å²	105	103.2 Å²	103.2	56%	0.561	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-49.9	143.6	171.3	-28	-90.9	0	0	0	109.8	R416 T417 F418	D414-R416 CarbonylContact O-C 3.58Å; D414-R416 PolarHBondContact O-N 3.47Å; D414-T417 CarbonylContact O-C 3.54Å; D414-T417 WeakPolarHBondContact O-CA 3.47Å; D414-T417 WeakPolarHBondContact O-CB 3.16Å; D414-T417 PolarHBondContact O-N 2.96Å; D414-T417 WeakPolarHBondContact OD2-CB 3.45Å; D414-T417 PolarHBondContact OD2-OG1 3.45Å; D414-F418 PolarHBondContact O-N 3.46Å
415	Q	83.4	Confident	68.3	Low	146 Å²	146	97.3 Å²	97.3	68%	0.682	49%	0.494	S	S	*	.	H	α-helix	trans	-52	-31.1	-179.2	-174.6	64.4	-0.3	0	0	113.3	L413 S419	L413-Q415 PolarHBondContact O-N 3.44Å; Q415-S419 WeakPolarHBondContact O-CB 3.33Å; Q415-S419 PolarHBondContact O-N 3.49Å; Q415-S419 VanDerWaalsContact O-N 3.13Å; Q415-S419 PolarHBondContact O-OG 2.97Å
416	R	84.1	Confident	70.5	Confident	218 Å²	218	99.9 Å²	99.9	82%	0.823	49%	0.49	S	S	*	.	H	α-helix	trans	-67.7	-54	172.1	-62.4	-178.3	-179.9	-173.1	-0.3	111.7	D414 F418 S419 V420	D414-R416 CarbonylContact O-C 3.58Å; D414-R416 PolarHBondContact O-N 3.47Å; R416-F418 PolarHBondContact O-N 2.99Å; R416-S419 WeakPolarHBondContact O-CB 3.22Å; R416-S419 PolarHBondContact O-N 2.99Å; R416-V420 PolarHBondContact O-N 2.89Å; R416-V420 VanDerWaalsContact O-N 3.09Å
417	T	86.3	Confident	73.2	Confident	21 Å²	21	97.4 Å²	97.4	13%	0.129	48%	0.477	C	S	.	.	H	α-helix	trans	-60.2	-44.1	178.7	-55.2	0	0	0	0	111.7	L413 D414 S419 V420 C421 W478 N481	L413-T417 HydrophobicContact CB-CG2 4.37Å; L413-T417 HydrophobicContact CD2-CG2 3.95Å; L413-T417 HydrophobicContact CG-CG2 3.85Å; D414-T417 CarbonylContact O-C 3.54Å; D414-T417 WeakPolarHBondContact O-CA 3.47Å; D414-T417 WeakPolarHBondContact O-CB 3.16Å; D414-T417 PolarHBondContact O-N 2.96Å; D414-T417 WeakPolarHBondContact OD2-CB 3.45Å; D414-T417 PolarHBondContact OD2-OG1 3.45Å; T417-S419 VanDerWaalsContact C-N 3.35Å; T417-S419 PolarHBondContact O-N 3.31Å; T417-V420 PolarHBondContact O-N 3.25Å; T417-C421 PolarHBondContact O-N 2.82Å; T417-C421 PolarHBondContact O-SG 3.18Å; T417-W478 HydrophobicContact CG2-CZ3 4.32Å; T417-N481 HydrophobicContact CG2-CB 4.07Å; T417-N481 VanDerWaalsContact CG2-ND2 3.29Å; T417-N481 WeakPolarHBondContact CG2-ND2 3.37Å
418	F	87.3	Confident	76.2	Confident	64 Å²	64	93.1 Å²	93.1	28%	0.281	45%	0.448	S	S	.	.	H	α-helix	trans	-59.5	-42.6	174.1	-176.8	-93.9	0	0	0	112	L413 D414 R416 C421 K422 F485	L413-F418 HydrophobicContact CB-CB 4.01Å; D414-F418 PolarHBondContact O-N 3.46Å; R416-F418 PolarHBondContact O-N 2.99Å; F418-C421 PolarHBondContact O-N 3.02Å; F418-K422 HydrophobicContact CE1-CD 4.37Å; F418-K422 VanDerWaalsContact O-CB 3.26Å; F418-K422 WeakPolarHBondContact O-CB 3.3Å; F418-K422 PolarHBondContact O-N 3.41Å; F418-F485 AromaticContact CD2-CD2 3.72Å; F418-F485 HydrophobicContact CD2-CD2 3.72Å; F418-F485 AromaticContact CD2-CE2 3.88Å; F418-F485 HydrophobicContact CD2-CE2 3.88Å; F418-F485 HydrophobicContact CE1-CE2 4.29Å; F418-F485 AromaticContact CE2-CD2 3.65Å; F418-F485 HydrophobicContact CE2-CD2 3.65Å; F418-F485 AromaticContact CE2-CE2 3.51Å; F418-F485 HydrophobicContact CE2-CE2 3.51Å; F418-F485 HydrophobicContact CG-CD2 4.46Å; F418-F485 HydrophobicContact CG-CE2 4.42Å; F418-F485 HydrophobicContact CZ-CD2 4.35Å; F418-F485 AromaticContact CZ-CE2 3.74Å; F418-F485 HydrophobicContact CZ-CE2 3.74Å
419	S	85.7	Confident	78.5	Confident	58 Å²	58	91.9 Å²	91.9	41%	0.406	44%	0.44	S	S	.	.	H	α-helix	trans	-63.5	-41.2	177.4	-62.5	0	0	0	0	112.3	Q415 R416 T417 K422 E423	Q415-S419 WeakPolarHBondContact O-CB 3.33Å; Q415-S419 PolarHBondContact O-N 3.49Å; Q415-S419 VanDerWaalsContact O-N 3.13Å; Q415-S419 PolarHBondContact O-OG 2.97Å; R416-S419 WeakPolarHBondContact O-CB 3.22Å; R416-S419 PolarHBondContact O-N 2.99Å; T417-S419 VanDerWaalsContact C-N 3.35Å; T417-S419 PolarHBondContact O-N 3.31Å; S419-K422 PolarHBondContact O-N 3.43Å; S419-E423 PolarHBondContact O-N 3.14Å
420	V	86.6	Confident	81.1	Confident	58 Å²	58	86.3 Å²	86.3	35%	0.352	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-44.9	174	178.9	0	0	0	0	111.1	R416 T417 K422 E423 R424 W478	R416-V420 PolarHBondContact O-N 2.89Å; R416-V420 VanDerWaalsContact O-N 3.09Å; T417-V420 PolarHBondContact O-N 3.25Å; V420-K422 VanDerWaalsContact C-N 3.31Å; V420-K422 PolarHBondContact O-N 3.12Å; V420-E423 PolarHBondContact O-N 3.4Å; V420-E423 VanDerWaalsContact O-N 3.17Å; V420-R424 HydrophobicContact CG1-CG 4.2Å; V420-R424 WeakPolarHBondContact O-CG 3.36Å; V420-R424 PolarHBondContact O-N 2.72Å; V420-W478 HydrophobicContact CB-CH2 3.84Å; V420-W478 HydrophobicContact CB-CZ3 4.09Å; V420-W478 HydrophobicContact CG1-CH2 3.53Å; V420-W478 HydrophobicContact CG1-CZ2 4.39Å; V420-W478 HydrophobicContact CG1-CZ3 3.73Å; V420-W478 HydrophobicContact CG2-CH2 4.37Å
421	C	88.3	Confident	83.3	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-39.8	176.6	-67.8	0	0	0	0	112.2	L413 T417 F418 E423 R424 M425 L482 F485	L413-C421 HydrophobicContact CD2-CB 4.18Å; T417-C421 PolarHBondContact O-N 2.82Å; T417-C421 PolarHBondContact O-SG 3.18Å; F418-C421 PolarHBondContact O-N 3.02Å; C421-E423 VanDerWaalsContact C-N 3.34Å; C421-E423 PolarHBondContact O-N 3.04Å; C421-R424 PolarHBondContact O-N 3.15Å; C421-M425 VanDerWaalsContact O-CB 3.28Å; C421-M425 WeakPolarHBondContact O-CB 3.41Å; C421-M425 VanDerWaalsContact O-CG 3.23Å; C421-M425 WeakPolarHBondContact O-CG 3.45Å; C421-M425 PolarHBondContact O-N 3.19Å; C421-L482 HydrophobicContact CB-CD2 3.99Å; C421-F485 HydrophobicContact CB-CB 3.78Å; C421-F485 HydrophobicContact CB-CD1 4.4Å; C421-F485 HydrophobicContact CB-CD2 3.58Å; C421-F485 HydrophobicContact CB-CE2 4.29Å; C421-F485 HydrophobicContact CB-CG 3.65Å
422	K	87.8	Confident	84.7	Confident	126 Å²	126	78.5 Å²	78.5	55%	0.548	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-41	173.8	-178	-179.4	177.8	-178	0	112.2	F418 S419 V420 R426 F485	F418-K422 HydrophobicContact CE1-CD 4.37Å; F418-K422 VanDerWaalsContact O-CB 3.26Å; F418-K422 WeakPolarHBondContact O-CB 3.3Å; F418-K422 PolarHBondContact O-N 3.41Å; S419-K422 PolarHBondContact O-N 3.43Å; V420-K422 VanDerWaalsContact C-N 3.31Å; V420-K422 PolarHBondContact O-N 3.12Å; K422-R426 WeakPolarHBondContact O-CG 3.38Å; K422-R426 PolarHBondContact O-N 2.82Å; K422-F485 VanDerWaalsContact CA-CZ 3.46Å; K422-F485 HydrophobicContact CB-CE2 3.8Å; K422-F485 HydrophobicContact CB-CZ 3.86Å; K422-F485 HydrophobicContact CG-CZ 4.36Å
423	E	89.8	Confident	85.8	Confident	94 Å²	94	78.3 Å²	78.3	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-52.5	176.1	-158	59	-148.2	0	0	111.4	S419 V420 C421 M425 R426	S419-E423 PolarHBondContact O-N 3.14Å; V420-E423 PolarHBondContact O-N 3.4Å; V420-E423 VanDerWaalsContact O-N 3.17Å; C421-E423 VanDerWaalsContact C-N 3.34Å; C421-E423 PolarHBondContact O-N 3.04Å; E423-M425 PolarHBondContact O-N 3.49Å; E423-R426 VanDerWaalsContact CD-CZ 3.42Å; E423-R426 VanDerWaalsContact CD-NH2 3.3Å; E423-R426 WeakPolarHBondContact O-CB 3.3Å; E423-R426 WeakPolarHBondContact O-CG 3.37Å; E423-R426 PolarHBondContact O-N 2.96Å; E423-R426 VanDerWaalsContact O-N 3.09Å; E423-R426 WeakPolarHBondContact OE1-CD 3.24Å; E423-R426 IonicContact OE1-CZ 2.74Å; E423-R426 IonicContact OE1-NE 3.27Å; E423-R426 PolarHBondContact OE1-NE 3.07Å; E423-R426 IonicContact OE1-NH1 3.01Å; E423-R426 IonicContact OE1-NH2 2.63Å; E423-R426 PolarHBondContact OE1-NH2 2.91Å; E423-R426 VanDerWaalsContact OE1-NH2 3.14Å; E423-R426 IonicContact OE2-CZ 2.65Å; E423-R426 IonicContact OE2-NE 3.62Å; E423-R426 PolarHBondContact OE2-NE 2.78Å; E423-R426 IonicContact OE2-NH2 3.2Å; E423-R426 PolarHBondContact OE2-NH2 3.32Å
424	R	84.8	Confident	86.2	Confident	68 Å²	68	80.3 Å²	80.3	26%	0.257	39%	0.386	S	S	.	.	H	α-helix	trans	-55.9	-35.4	177.8	-68.5	-55.6	-162.7	168.9	9.8	112.6	V420 C421 P427 H461 E468 Y469 L482	V420-R424 HydrophobicContact CG1-CG 4.2Å; V420-R424 WeakPolarHBondContact O-CG 3.36Å; V420-R424 PolarHBondContact O-N 2.72Å; C421-R424 PolarHBondContact O-N 3.15Å; R424-P427 WeakPolarHBondContact O-CD 3.5Å; R424-H461 PolarHBondContact O-NE2 3.29Å; R424-E468 IonicContact CZ-OE1 3.16Å; R424-E468 IonicContact CZ-OE2 3.82Å; R424-E468 IonicContact NH1-OE1 2.8Å; R424-E468 PolarHBondContact NH1-OE1 2.82Å; R424-E468 IonicContact NH1-OE2 3.55Å; R424-E468 PolarHBondContact NH1-OE2 2.97Å; R424-E468 IonicContact NH2-OE1 2.69Å; R424-E468 IonicContact NH2-OE2 2.89Å; R424-E468 PolarHBondContact NH2-OE2 3.03Å; R424-Y469 PolarHBondContact NH2-OH 2.64Å; R424-L482 HydrophobicContact CB-CD2 4.2Å
425	M	87.6	Confident	86.1	Confident	3 Å²	3	76.2 Å²	76.2	2%	0.015	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	1	-177.9	-64.1	-69.6	100.5	0	0	114.5	C421 E423 P427 V428 K429 L432 H461 I462 L482 F485 V486	C421-M425 VanDerWaalsContact O-CB 3.28Å; C421-M425 WeakPolarHBondContact O-CB 3.41Å; C421-M425 VanDerWaalsContact O-CG 3.23Å; C421-M425 WeakPolarHBondContact O-CG 3.45Å; C421-M425 PolarHBondContact O-N 3.19Å; E423-M425 PolarHBondContact O-N 3.49Å; M425-P427 VanDerWaalsContact C-CD 3.44Å; M425-V428 HydrophobicContact CB-CG2 4.18Å; M425-V428 VanDerWaalsContact O-CG2 3.31Å; M425-V428 WeakPolarHBondContact O-CG2 3.38Å; M425-V428 PolarHBondContact O-N 3.3Å; M425-V428 VanDerWaalsContact O-N 3.15Å; M425-V428 HydrophobicContact SD-CG2 3.83Å; M425-K429 PolarHBondContact O-N 3.5Å; M425-L432 HydrophobicContact CB-CD1 4.16Å; M425-H461 WeakPolarHBondContact CE-CD2 3.47Å; M425-I462 HydrophobicContact CE-CG1 3.71Å; M425-I462 HydrophobicContact SD-CD1 4.31Å; M425-I462 HydrophobicContact SD-CG1 3.8Å; M425-L482 HydrophobicContact CE-CD1 4.48Å; M425-L482 HydrophobicContact CE-CD2 4.04Å; M425-L482 HydrophobicContact CG-CD2 4.17Å; M425-L482 HydrophobicContact SD-CD2 4.48Å; M425-F485 HydrophobicContact CB-CD1 4.11Å; M425-F485 HydrophobicContact CB-CE1 3.72Å; M425-F485 HydrophobicContact CG-CD1 3.77Å; M425-F485 HydrophobicContact CG-CE1 3.93Å; M425-V486 HydrophobicContact SD-CG2 4.42Å
426	R	85.9	Confident	85.9	Confident	158 Å²	158	73.1 Å²	73.1	60%	0.596	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-50.9	-44.1	173.9	-73.1	-170.7	-173.1	-166.6	15	113.8	K422 E423 V428 K429	K422-R426 WeakPolarHBondContact O-CG 3.38Å; K422-R426 PolarHBondContact O-N 2.82Å; E423-R426 VanDerWaalsContact CD-CZ 3.42Å; E423-R426 VanDerWaalsContact CD-NH2 3.3Å; E423-R426 WeakPolarHBondContact O-CB 3.3Å; E423-R426 WeakPolarHBondContact O-CG 3.37Å; E423-R426 PolarHBondContact O-N 2.96Å; E423-R426 VanDerWaalsContact O-N 3.09Å; E423-R426 WeakPolarHBondContact OE1-CD 3.24Å; E423-R426 IonicContact OE1-CZ 2.74Å; E423-R426 IonicContact OE1-NE 3.27Å; E423-R426 PolarHBondContact OE1-NE 3.07Å; E423-R426 IonicContact OE1-NH1 3.01Å; E423-R426 IonicContact OE1-NH2 2.63Å; E423-R426 PolarHBondContact OE1-NH2 2.91Å; E423-R426 VanDerWaalsContact OE1-NH2 3.14Å; E423-R426 IonicContact OE2-CZ 2.65Å; E423-R426 IonicContact OE2-NE 3.62Å; E423-R426 PolarHBondContact OE2-NE 2.78Å; E423-R426 IonicContact OE2-NH2 3.2Å; E423-R426 PolarHBondContact OE2-NH2 3.32Å; R426-V428 PolarHBondContact O-N 3.05Å; R426-K429 WeakPolarHBondContact O-CB 3.39Å; R426-K429 PolarHBondContact O-N 3.33Å; R426-K429 VanDerWaalsContact O-N 3.14Å
427	P	89.6	Confident	85.4	Confident	97 Å²	97	71.6 Å²	71.6	63%	0.63	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62.5	-27.1	-178.2	-25.2	37.1	0	0	0	114.1	R424 M425	R424-P427 WeakPolarHBondContact O-CD 3.5Å; M425-P427 VanDerWaalsContact C-CD 3.44Å
428	V	89.4	Confident	84.4	Confident	14 Å²	14	73.1 Å²	73.1	9%	0.085	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-100.3	10.1	179.3	-65.9	0	0	0	0	113.7	M425 R426 A430 A431 L432 I458 H461	M425-V428 HydrophobicContact CB-CG2 4.18Å; M425-V428 VanDerWaalsContact O-CG2 3.31Å; M425-V428 WeakPolarHBondContact O-CG2 3.38Å; M425-V428 PolarHBondContact O-N 3.3Å; M425-V428 VanDerWaalsContact O-N 3.15Å; M425-V428 HydrophobicContact SD-CG2 3.83Å; R426-V428 PolarHBondContact O-N 3.05Å; V428-A430 PolarHBondContact O-N 3.46Å; V428-A430 VanDerWaalsContact O-N 3.11Å; V428-A431 PolarHBondContact O-N 2.78Å; V428-L432 HydrophobicContact CG2-CD1 4.11Å; V428-L432 HydrophobicContact CG2-CG 4.35Å; V428-L432 PolarHBondContact O-N 3.48Å; V428-I458 HydrophobicContact CB-CG1 4.24Å; V428-I458 HydrophobicContact CG2-CG1 4.46Å; V428-H461 HydrophobicContact CG1-CB 3.51Å
429	K	87.4	Confident	83	Confident	156 Å²	156	76.3 Å²	76.3	68%	0.678	37%	0.372	S	S	*	.	H	α-helix	trans	-51.3	-36.6	179.2	-177.4	-178	177.2	-173.2	0	113.6	M425 R426 K433	M425-K429 PolarHBondContact O-N 3.5Å; R426-K429 WeakPolarHBondContact O-CB 3.39Å; R426-K429 PolarHBondContact O-N 3.33Å; R426-K429 VanDerWaalsContact O-N 3.14Å; K429-K433 PolarHBondContact O-N 3.13Å
430	A	85.8	Confident	81.4	Confident	69 Å²	69	83.9 Å²	83.9	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-66.2	-48	175.8	0	0	0	0	0	112	V428 L432 K433 Q434	V428-A430 PolarHBondContact O-N 3.46Å; V428-A430 VanDerWaalsContact O-N 3.11Å; A430-L432 VanDerWaalsContact C-N 3.32Å; A430-L432 PolarHBondContact O-N 2.71Å; A430-K433 PolarHBondContact O-N 2.85Å; A430-Q434 WeakPolarHBondContact O-CG 3.43Å; A430-Q434 PolarHBondContact O-N 3.25Å
431	A	86.6	Confident	80.3	Confident	7 Å²	7	85 Å²	85	6%	0.058	42%	0.421	C	S	.	.	H	α-helix	trans	-66.1	-32.9	177.4	0	0	0	0	0	112.4	V428 Q434 L435 C454 K457 I458	V428-A431 PolarHBondContact O-N 2.78Å; A431-Q434 PolarHBondContact O-N 2.63Å; A431-L435 WeakPolarHBondContact O-CB 3.35Å; A431-L435 PolarHBondContact O-N 2.99Å; A431-L435 VanDerWaalsContact O-N 3.09Å; A431-C454 HydrophobicContact CB-CB 4.45Å; A431-K457 HydrophobicContact CB-CB 4.3Å; A431-K457 HydrophobicContact CB-CD 4.46Å; A431-I458 HydrophobicContact CB-CD1 4.18Å; A431-I458 HydrophobicContact CB-CG1 3.92Å
432	L	86.3	Confident	79.3	Confident	7 Å²	7	88.4 Å²	88.4	4%	0.037	44%	0.439	C	S	.	.	H	α-helix	trans	-64.5	-46.3	172.2	-70.7	169.3	0	0	0	111.4	M425 V428 A430 Q434 L435 D436 I458 V486 F489	M425-L432 HydrophobicContact CB-CD1 4.16Å; V428-L432 HydrophobicContact CG2-CD1 4.11Å; V428-L432 HydrophobicContact CG2-CG 4.35Å; V428-L432 PolarHBondContact O-N 3.48Å; A430-L432 VanDerWaalsContact C-N 3.32Å; A430-L432 PolarHBondContact O-N 2.71Å; L432-Q434 VanDerWaalsContact C-N 3.3Å; L432-Q434 PolarHBondContact O-N 2.59Å; L432-L435 WeakPolarHBondContact O-CB 3.48Å; L432-L435 PolarHBondContact O-N 3.45Å; L432-D436 PolarHBondContact O-N 2.84Å; L432-I458 HydrophobicContact CD2-CD1 3.76Å; L432-I458 HydrophobicContact CD2-CG1 4.14Å; L432-I458 HydrophobicContact CD2-CG2 4.34Å; L432-I458 HydrophobicContact CG-CD1 4.23Å; L432-I458 HydrophobicContact CG-CG1 4.35Å; L432-V486 HydrophobicContact CD2-CB 4.36Å; L432-V486 HydrophobicContact CD2-CG1 3.82Å; L432-V486 HydrophobicContact CD2-CG2 4.07Å; L432-F489 HydrophobicContact CD2-CD2 4.41Å
433	K	84.6	Confident	78.9	Confident	154 Å²	154	85.2 Å²	85.2	67%	0.67	43%	0.433	S	S	*	.	H	α-helix	trans	-63.2	-35.6	175.9	-168.3	-170.7	176.2	-163.7	0	112.5	K429 A430 L435 R437	K429-K433 PolarHBondContact O-N 3.13Å; A430-K433 PolarHBondContact O-N 2.85Å; K433-L435 PolarHBondContact O-N 2.93Å; K433-R437 PolarHBondContact O-N 3.1Å
434	Q	81.6	Confident	78.2	Confident	64 Å²	64	88 Å²	88	30%	0.299	45%	0.445	S	S	.	.	H	α-helix	trans	-71.6	-17.1	174.4	-75	177.2	-44.1	0	0	113.6	A430 A431 L432	A430-Q434 WeakPolarHBondContact O-CG 3.43Å; A430-Q434 PolarHBondContact O-N 3.25Å; A431-Q434 PolarHBondContact O-N 2.63Å; L432-Q434 VanDerWaalsContact C-N 3.3Å; L432-Q434 PolarHBondContact O-N 2.59Å
435	L	79.8	Confident	77.8	Confident	19 Å²	19	94.9 Å²	94.9	10%	0.099	47%	0.472	C	S	.	.	H	α-helix	trans	-92.7	-29.4	175.6	-160.6	67.6	0	0	0	112.2	A431 L432 K433 T451 C454 L455 I458 T490 L497	A431-L435 WeakPolarHBondContact O-CB 3.35Å; A431-L435 PolarHBondContact O-N 2.99Å; A431-L435 VanDerWaalsContact O-N 3.09Å; L432-L435 WeakPolarHBondContact O-CB 3.48Å; L432-L435 PolarHBondContact O-N 3.45Å; K433-L435 PolarHBondContact O-N 2.93Å; L435-T451 HydrophobicContact CD1-CG2 3.82Å; L435-C454 HydrophobicContact CD1-CB 4.26Å; L435-L455 HydrophobicContact CD1-CD2 4.23Å; L435-L455 HydrophobicContact CD1-CG 3.98Å; L435-L455 HydrophobicContact CD2-CD2 3.72Å; L435-L455 HydrophobicContact CD2-CG 4.31Å; L435-I458 HydrophobicContact CB-CD1 4.46Å; L435-I458 HydrophobicContact CD2-CD1 3.73Å; L435-T490 HydrophobicContact CB-CG2 4.25Å; L435-T490 HydrophobicContact CD2-CG2 3.44Å; L435-T490 VanDerWaalsContact CD2-CG2 3.44Å; L435-T490 HydrophobicContact CG-CG2 3.54Å; L435-L497 HydrophobicContact CD2-CD2 4.36Å
436	D	79.4	Confident	77.5	Confident	80 Å²	80	99.7 Å²	99.7	43%	0.428	49%	0.494	S	S	.	.	H	α-helix	trans	-66.6	-38.8	169.6	177.4	72.4	0	0	0	112.2	L432 F489	L432-D436 PolarHBondContact O-N 2.84Å; D436-F489 VanDerWaalsContact CA-O 3.3Å; D436-F489 WeakPolarHBondContact CA-O 3.29Å; D436-F489 PolarHBondContact N-O 2.94Å
437	R	73	Confident	77.2	Confident	187 Å²	187	95.7 Å²	95.7	71%	0.706	48%	0.482	S	S	*	.	S	Bend	trans	-136.6	99.9	179.9	-66.8	176.8	-165.8	-150.2	-6.2	111.4	K433	K433-R437 PolarHBondContact O-N 3.1Å
438	P	64.8	Low	76.8	Confident	52 Å²	52	96.3 Å²	96.3	34%	0.338	48%	0.479	S	S	.	.			trans	-67.2	140.5	167.6	29	-33.6	0	0	0	110.1	K440 Q447	P438-K440 PolarHBondContact O-N 3.44Å; P438-Q447 HydrophobicContact CB-CG 4.08Å
439	E	57.5	Low	76.5	Confident	131 Å²	131	98.7 Å²	98.7	61%	0.612	49%	0.49	S	S	*	.			trans	-71	128.8	-178.8	-65.7	-174.1	165.2	0	0	111.3	G441	E439-G441 PolarHBondContact O-N 2.78Å
440	K	53.6	Low	76.3	Confident	218 Å²	218	93.5 Å²	93.5	95%	0.948	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	107.2	-179.2	-63	-176.3	-180	-174.1	0	109.3	P438	P438-K440 PolarHBondContact O-N 3.44Å
441	G	62	Low	76.2	Confident	81 Å²	81	91.8 Å²	91.8	84%	0.835	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	149	-19.1	177.9	0	0	0	0	0	114.8	E439	E439-G441 PolarHBondContact O-N 2.78Å
442	L	68.1	Low	76.2	Confident	72 Å²	72	92.8 Å²	92.8	38%	0.377	45%	0.452	S	S	.	.	S	Bend	trans	-73.2	153	171.5	-68.2	167.1	0	0	0	111.2	E446	L442-E446 HydrophobicContact CB-CB 4.18Å; L442-E446 HydrophobicContact CD2-CB 4.31Å
443	S	78.5	Confident	76.3	Confident	59 Å²	59	97.1 Å²	97.1	41%	0.413	47%	0.473	S	S	.	.			trans	-66.6	154.9	171.1	70.9	0	0	0	0	111.2	R445 E446 Q447	S443-R445 PolarHBondContact O-N 3.24Å; S443-R445 VanDerWaalsContact O-N 3.1Å; S443-E446 VanDerWaalsContact CB-OE2 3.23Å; S443-E446 WeakPolarHBondContact CB-OE2 3.26Å; S443-E446 PolarHBondContact N-OE2 3.3Å; S443-E446 PolarHBondContact O-N 3.26Å; S443-E446 VanDerWaalsContact OG-CD 3.24Å; S443-E446 WeakPolarHBondContact OG-CG 3.48Å; S443-E446 PolarHBondContact OG-N 3.38Å; S443-E446 PolarHBondContact OG-OE2 3.42Å; S443-Q447 WeakPolarHBondContact O-CB 3.35Å; S443-Q447 PolarHBondContact O-N 3.38Å
444	E	75	Confident	76.5	Confident	151 Å²	151	89.9 Å²	89.9	71%	0.706	44%	0.441	S	S	*	.	H	α-helix	trans	-49.4	-41	178	-174.3	-169.3	179.3	0	0	112.2	E446 L448	E444-E446 PolarHBondContact O-N 2.97Å; E444-L448 HydrophobicContact CG-CD1 4.16Å; E444-L448 WeakPolarHBondContact O-CB 3.37Å; E444-L448 WeakPolarHBondContact O-CG 3.23Å; E444-L448 PolarHBondContact O-N 2.99Å
445	R	77.3	Confident	76.9	Confident	214 Å²	214	87.1 Å²	87.1	81%	0.808	43%	0.429	S	S	*	.	H	α-helix	trans	-64.8	-38.8	178.8	-177.9	174.7	175.8	168.5	-3.3	112.9	S443 E449	S443-R445 PolarHBondContact O-N 3.24Å; S443-R445 VanDerWaalsContact O-N 3.1Å; R445-E449 PolarHBondContact O-N 2.89Å
446	E	82.1	Confident	77.4	Confident	104 Å²	104	86.8 Å²	86.8	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-78	-40.4	178.4	-68.7	161	137.5	0	0	111.3	L442 S443 E444 L448 E449 H450	L442-E446 HydrophobicContact CB-CB 4.18Å; L442-E446 HydrophobicContact CD2-CB 4.31Å; S443-E446 VanDerWaalsContact CB-OE2 3.23Å; S443-E446 WeakPolarHBondContact CB-OE2 3.26Å; S443-E446 PolarHBondContact N-OE2 3.3Å; S443-E446 PolarHBondContact O-N 3.26Å; S443-E446 VanDerWaalsContact OG-CD 3.24Å; S443-E446 WeakPolarHBondContact OG-CG 3.48Å; S443-E446 PolarHBondContact OG-N 3.38Å; S443-E446 PolarHBondContact OG-OE2 3.42Å; E444-E446 PolarHBondContact O-N 2.97Å; E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 3.5Å; E446-E449 PolarHBondContact O-N 2.96Å; E446-H450 VanDerWaalsContact O-CB 3.26Å; E446-H450 WeakPolarHBondContact O-CB 3.37Å; E446-H450 PolarHBondContact O-N 3.12Å
447	Q	78.7	Confident	77.9	Confident	73 Å²	73	88.4 Å²	88.4	34%	0.341	43%	0.43	S	S	.	.	H	α-helix	trans	-57.2	-46.8	173.6	-169.9	-176.4	6.5	0	0	110.7	P438 S443 E449 H450 T451	P438-Q447 HydrophobicContact CB-CG 4.08Å; S443-Q447 WeakPolarHBondContact O-CB 3.35Å; S443-Q447 PolarHBondContact O-N 3.38Å; Q447-E449 PolarHBondContact O-N 2.98Å; Q447-H450 PolarHBondContact O-N 3.26Å; Q447-T451 WeakPolarHBondContact O-CB 3.34Å; Q447-T451 PolarHBondContact O-N 3.06Å; Q447-T451 PolarHBondContact O-OG1 3.34Å
448	L	81.8	Confident	78.8	Confident	110 Å²	110	79.5 Å²	79.5	58%	0.576	40%	0.396	S	S	*	.	H	α-helix	trans	-62.2	-42.1	176.1	-74.9	169.7	0	0	0	113	E444 E446 R452	E444-L448 HydrophobicContact CG-CD1 4.16Å; E444-L448 WeakPolarHBondContact O-CB 3.37Å; E444-L448 WeakPolarHBondContact O-CG 3.23Å; E444-L448 PolarHBondContact O-N 2.99Å; E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 3.5Å; L448-R452 VanDerWaalsContact O-CB 3.29Å; L448-R452 WeakPolarHBondContact O-CB 3.29Å; L448-R452 PolarHBondContact O-N 3.37Å
449	E	83.6	Confident	80.1	Confident	65 Å²	65	77 Å²	77	30%	0.304	38%	0.38	S	S	.	.	H	α-helix	trans	-75.7	-31.5	-179.9	-162.4	58.9	-128.5	0	0	111.7	R445 E446 Q447 R452 Q453 K507	R445-E449 PolarHBondContact O-N 2.89Å; E446-E449 PolarHBondContact O-N 2.96Å; Q447-E449 PolarHBondContact O-N 2.98Å; E449-R452 VanDerWaalsContact CD-NH1 3.28Å; E449-R452 WeakPolarHBondContact O-CB 3.43Å; E449-R452 PolarHBondContact O-N 2.89Å; E449-R452 VanDerWaalsContact OE1-CD 3.28Å; E449-R452 WeakPolarHBondContact OE1-CD 3.41Å; E449-R452 IonicContact OE1-CZ 2.75Å; E449-R452 IonicContact OE1-NE 3.68Å; E449-R452 IonicContact OE1-NH1 2.63Å; E449-R452 PolarHBondContact OE1-NH1 3.07Å; E449-R452 IonicContact OE2-NH1 2.89Å; E449-R452 PolarHBondContact OE2-NH1 3.37Å; E449-R452 VanDerWaalsContact OE2-NH1 3.09Å; E449-Q453 WeakPolarHBondContact O-CB 3.49Å; E449-Q453 PolarHBondContact O-N 3.4Å; E449-K507 IonicContact OE2-NZ 3.13Å; E449-K507 PolarHBondContact OE2-NZ 3.46Å
450	H	81.6	Confident	81.7	Confident	47 Å²	47	73.4 Å²	73.4	22%	0.218	37%	0.365	C	S	.	.	H	α-helix	trans	-66.2	-47	170.1	177.4	-103.7	0	0	0	112.3	E446 Q447 R452 Q453 C454	E446-H450 VanDerWaalsContact O-CB 3.26Å; E446-H450 WeakPolarHBondContact O-CB 3.37Å; E446-H450 PolarHBondContact O-N 3.12Å; Q447-H450 PolarHBondContact O-N 3.26Å; H450-R452 VanDerWaalsContact C-N 3.26Å; H450-R452 PolarHBondContact O-N 2.85Å; H450-Q453 WeakPolarHBondContact O-CB 3.37Å; H450-Q453 PolarHBondContact O-N 3.06Å; H450-Q453 VanDerWaalsContact O-N 3.12Å; H450-C454 PolarHBondContact O-N 3.44Å; H450-C454 PolarHBondContact O-SG 3.09Å
451	T	84.3	Confident	83.4	Confident	33 Å²	33	65 Å²	65	20%	0.202	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-43	171.7	-65.2	0	0	0	0	110.7	L435 Q447 C454 L455	L435-T451 HydrophobicContact CD1-CG2 3.82Å; Q447-T451 WeakPolarHBondContact O-CB 3.34Å; Q447-T451 PolarHBondContact O-N 3.06Å; Q447-T451 PolarHBondContact O-OG1 3.34Å; T451-C454 PolarHBondContact O-N 2.99Å; T451-L455 HydrophobicContact CG2-CD1 4.19Å; T451-L455 WeakPolarHBondContact O-CG 3.28Å; T451-L455 PolarHBondContact O-N 3.18Å
452	R	86.9	Confident	84.8	Confident	27 Å²	27	61.1 Å²	61.1	10%	0.102	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-42.9	174.2	-177.7	-178.2	161.6	-137.6	-4.8	112.3	L448 E449 H450 C454 L455 I456 A504 K507	L448-R452 VanDerWaalsContact O-CB 3.29Å; L448-R452 WeakPolarHBondContact O-CB 3.29Å; L448-R452 PolarHBondContact O-N 3.37Å; E449-R452 VanDerWaalsContact CD-NH1 3.28Å; E449-R452 WeakPolarHBondContact O-CB 3.43Å; E449-R452 PolarHBondContact O-N 2.89Å; E449-R452 VanDerWaalsContact OE1-CD 3.28Å; E449-R452 WeakPolarHBondContact OE1-CD 3.41Å; E449-R452 IonicContact OE1-CZ 2.75Å; E449-R452 IonicContact OE1-NE 3.68Å; E449-R452 IonicContact OE1-NH1 2.63Å; E449-R452 PolarHBondContact OE1-NH1 3.07Å; E449-R452 IonicContact OE2-NH1 2.89Å; E449-R452 PolarHBondContact OE2-NH1 3.37Å; E449-R452 VanDerWaalsContact OE2-NH1 3.09Å; H450-R452 VanDerWaalsContact C-N 3.26Å; H450-R452 PolarHBondContact O-N 2.85Å; R452-C454 VanDerWaalsContact C-N 3.32Å; R452-C454 PolarHBondContact O-N 2.75Å; R452-L455 PolarHBondContact O-N 3.27Å; R452-I456 HydrophobicContact CG-CD1 4.04Å; R452-I456 VanDerWaalsContact O-CG1 3.31Å; R452-I456 WeakPolarHBondContact O-CG1 3.41Å; R452-I456 PolarHBondContact O-N 3.31Å; R452-A504 HydrophobicContact CG-CB 3.66Å; R452-A504 PolarHBondContact NE-O 3.5Å; R452-A504 PolarHBondContact NH2-O 3.11Å; R452-K507 VanDerWaalsContact NH1-CE 3.33Å; R452-K507 PolarHBondContact NH2-O 3.35Å
453	Q	88	Confident	85.9	Confident	99 Å²	99	60.7 Å²	60.7	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-42.4	176.6	-156.3	81.8	-19.5	0	0	111.1	E449 H450 I456 K457	E449-Q453 WeakPolarHBondContact O-CB 3.49Å; E449-Q453 PolarHBondContact O-N 3.4Å; H450-Q453 WeakPolarHBondContact O-CB 3.37Å; H450-Q453 PolarHBondContact O-N 3.06Å; H450-Q453 VanDerWaalsContact O-N 3.12Å; Q453-I456 PolarHBondContact O-N 2.99Å; Q453-K457 WeakPolarHBondContact O-CG 3.38Å; Q453-K457 PolarHBondContact O-N 3.08Å
454	C	89.1	Confident	86.5	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-46.5	176.8	-64	0	0	0	0	111.8	A431 L435 H450 T451 R452 I456 K457 I458	A431-C454 HydrophobicContact CB-CB 4.45Å; L435-C454 HydrophobicContact CD1-CB 4.26Å; H450-C454 PolarHBondContact O-N 3.44Å; H450-C454 PolarHBondContact O-SG 3.09Å; T451-C454 PolarHBondContact O-N 2.99Å; R452-C454 VanDerWaalsContact C-N 3.32Å; R452-C454 PolarHBondContact O-N 2.75Å; C454-I456 VanDerWaalsContact C-N 3.29Å; C454-I456 PolarHBondContact O-N 2.93Å; C454-K457 PolarHBondContact O-N 3.48Å; C454-I458 WeakPolarHBondContact O-CD1 3.26Å; C454-I458 WeakPolarHBondContact O-CG1 3.26Å; C454-I458 PolarHBondContact O-N 3.06Å
455	L	90.3	Very high	87.1	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-36.2	175.6	-74.4	168.2	0	0	0	112.9	L435 T451 R452 G459 L497 L500 Y501	L435-L455 HydrophobicContact CD1-CD2 4.23Å; L435-L455 HydrophobicContact CD1-CG 3.98Å; L435-L455 HydrophobicContact CD2-CD2 3.72Å; L435-L455 HydrophobicContact CD2-CG 4.31Å; T451-L455 HydrophobicContact CG2-CD1 4.19Å; T451-L455 WeakPolarHBondContact O-CG 3.28Å; T451-L455 PolarHBondContact O-N 3.18Å; R452-L455 PolarHBondContact O-N 3.27Å; L455-G459 PolarHBondContact O-N 3.45Å; L455-L497 HydrophobicContact CD2-CD2 3.71Å; L455-L500 HydrophobicContact CD1-CB 4.01Å; L455-L500 HydrophobicContact CD1-CD1 4.39Å; L455-Y501 WeakPolarHBondContact O-CD2 3.43Å
456	I	90.8	Very high	87.7	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.062	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-51.4	173.8	-68.9	164.9	0	0	0	110.3	R452 Q453 C454 I458 G459 D460 A504 R508	R452-I456 HydrophobicContact CG-CD1 4.04Å; R452-I456 VanDerWaalsContact O-CG1 3.31Å; R452-I456 WeakPolarHBondContact O-CG1 3.41Å; R452-I456 PolarHBondContact O-N 3.31Å; Q453-I456 PolarHBondContact O-N 2.99Å; C454-I456 VanDerWaalsContact C-N 3.29Å; C454-I456 PolarHBondContact O-N 2.93Å; I456-I458 VanDerWaalsContact C-N 3.32Å; I456-I458 PolarHBondContact O-N 2.83Å; I456-G459 PolarHBondContact O-N 2.92Å; I456-D460 VanDerWaalsContact O-CB 3.28Å; I456-D460 WeakPolarHBondContact O-CB 3.42Å; I456-D460 VanDerWaalsContact O-CG 3.26Å; I456-D460 PolarHBondContact O-N 3.31Å; I456-A504 HydrophobicContact CD1-CB 3.99Å; I456-A504 HydrophobicContact CG1-CB 3.64Å; I456-R508 HydrophobicContact CD1-CB 4.45Å; I456-R508 VanDerWaalsContact CG2-NH1 3.26Å
457	K	89.9	Confident	88	Confident	113 Å²	113	48 Å²	48	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-55.7	-45.2	178.5	-72.4	173.9	179.9	178.7	0	112.3	A431 Q453 C454 H461	A431-K457 HydrophobicContact CB-CB 4.3Å; A431-K457 HydrophobicContact CB-CD 4.46Å; Q453-K457 WeakPolarHBondContact O-CG 3.38Å; Q453-K457 PolarHBondContact O-N 3.08Å; C454-K457 PolarHBondContact O-N 3.48Å; K457-H461 WeakPolarHBondContact O-CB 3.23Å; K457-H461 PolarHBondContact O-N 3.17Å
458	I	91.3	Very high	88.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-48.8	179.3	-66.7	158.5	0	0	0	111	V428 A431 L432 L435 C454 I456 H461 I462 V486	V428-I458 HydrophobicContact CB-CG1 4.24Å; V428-I458 HydrophobicContact CG2-CG1 4.46Å; A431-I458 HydrophobicContact CB-CD1 4.18Å; A431-I458 HydrophobicContact CB-CG1 3.92Å; L432-I458 HydrophobicContact CD2-CD1 3.76Å; L432-I458 HydrophobicContact CD2-CG1 4.14Å; L432-I458 HydrophobicContact CD2-CG2 4.34Å; L432-I458 HydrophobicContact CG-CD1 4.23Å; L432-I458 HydrophobicContact CG-CG1 4.35Å; L435-I458 HydrophobicContact CB-CD1 4.46Å; L435-I458 HydrophobicContact CD2-CD1 3.73Å; C454-I458 WeakPolarHBondContact O-CD1 3.26Å; C454-I458 WeakPolarHBondContact O-CG1 3.26Å; C454-I458 PolarHBondContact O-N 3.06Å; I456-I458 VanDerWaalsContact C-N 3.32Å; I456-I458 PolarHBondContact O-N 2.83Å; I458-H461 PolarHBondContact O-N 3.4Å; I458-I462 HydrophobicContact CG2-CD1 4.05Å; I458-I462 WeakPolarHBondContact O-CG1 3.28Å; I458-I462 PolarHBondContact O-N 3.35Å; I458-V486 HydrophobicContact CG2-CG1 4.03Å; I458-V486 HydrophobicContact CG2-CG2 3.67Å
459	G	90.9	Very high	88.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.1	-34.4	-176.7	0	0	0	0	0	114	L455 I456 H461 I462 T463 Y501	L455-G459 PolarHBondContact O-N 3.45Å; I456-G459 PolarHBondContact O-N 2.92Å; G459-H461 VanDerWaalsContact C-N 3.33Å; G459-I462 PolarHBondContact O-N 2.95Å; G459-T463 WeakPolarHBondContact O-CB 3.33Å; G459-T463 PolarHBondContact O-N 2.98Å; G459-T463 PolarHBondContact O-OG1 3.44Å; G459-Y501 VanDerWaalsContact C-CE2 3.46Å; G459-Y501 VanDerWaalsContact CA-CE2 3.44Å; G459-Y501 VanDerWaalsContact CA-CZ 3.46Å; G459-Y501 PolarHBondContact O-OH 3.33Å; G459-Y501 VanDerWaalsContact O-OH 3.09Å
460	D	91.3	Very high	88.7	Confident	56 Å²	56	49 Å²	49	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-40.7	174	-74.9	3.2	0	0	0	110.3	I456 T463 Q464 Y501 R508	I456-D460 VanDerWaalsContact O-CB 3.28Å; I456-D460 WeakPolarHBondContact O-CB 3.42Å; I456-D460 VanDerWaalsContact O-CG 3.26Å; I456-D460 PolarHBondContact O-N 3.31Å; D460-T463 CarbonylContact O-C 3.52Å; D460-T463 WeakPolarHBondContact O-CB 3.08Å; D460-T463 PolarHBondContact O-N 2.85Å; D460-Q464 PolarHBondContact O-N 3.21Å; D460-Y501 WeakPolarHBondContact CA-OH 3.4Å; D460-Y501 PolarHBondContact N-OH 2.87Å; D460-Y501 WeakPolarHBondContact OD1-CE2 3.49Å; D460-Y501 PolarHBondContact OD1-OH 2.92Å; D460-R508 IonicContact OD2-CZ 3.02Å; D460-R508 IonicContact OD2-NH1 3.61Å; D460-R508 PolarHBondContact OD2-NH1 3.3Å
461	H	90.1	Very high	89	Confident	40 Å²	40	51 Å²	51	19%	0.185	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-40.5	174.3	-173.2	59.4	0	0	0	112.7	R424 M425 V428 K457 I458 G459 T463 Q464 C465	R424-H461 PolarHBondContact O-NE2 3.29Å; M425-H461 WeakPolarHBondContact CE-CD2 3.47Å; V428-H461 HydrophobicContact CG1-CB 3.51Å; K457-H461 WeakPolarHBondContact O-CB 3.23Å; K457-H461 PolarHBondContact O-N 3.17Å; I458-H461 PolarHBondContact O-N 3.4Å; G459-H461 VanDerWaalsContact C-N 3.33Å; H461-T463 VanDerWaalsContact C-N 3.3Å; H461-T463 PolarHBondContact O-N 3.5Å; H461-Q464 WeakPolarHBondContact O-CB 3.46Å; H461-Q464 PolarHBondContact O-N 3.09Å; H461-Q464 VanDerWaalsContact O-N 3.14Å; H461-C465 PolarHBondContact O-N 3.46Å; H461-C465 PolarHBondContact O-SG 3.18Å
462	I	91.3	Very high	89.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-44.8	169.5	-71.3	170.8	0	0	0	110.4	M425 I458 G459 Q464 C465 L466 L482 W483 V486	M425-I462 HydrophobicContact CE-CG1 3.71Å; M425-I462 HydrophobicContact SD-CD1 4.31Å; M425-I462 HydrophobicContact SD-CG1 3.8Å; I458-I462 HydrophobicContact CG2-CD1 4.05Å; I458-I462 WeakPolarHBondContact O-CG1 3.28Å; I458-I462 PolarHBondContact O-N 3.35Å; G459-I462 PolarHBondContact O-N 2.95Å; I462-Q464 VanDerWaalsContact C-N 3.27Å; I462-Q464 PolarHBondContact O-N 3.06Å; I462-C465 PolarHBondContact O-N 3.05Å; I462-L466 HydrophobicContact CG2-CD1 3.84Å; I462-L466 HydrophobicContact CG2-CG 4.44Å; I462-L466 WeakPolarHBondContact O-CG 3.42Å; I462-L466 PolarHBondContact O-N 3.29Å; I462-L482 HydrophobicContact CD1-CB 4.25Å; I462-L482 HydrophobicContact CG1-CB 4.18Å; I462-L482 HydrophobicContact CG1-CD1 4.48Å; I462-L482 HydrophobicContact CG2-CB 4.2Å; I462-L482 HydrophobicContact CG2-CD1 4.1Å; I462-W483 HydrophobicContact CD1-CD2 3.91Å; I462-W483 HydrophobicContact CD1-CE3 4.17Å; I462-W483 HydrophobicContact CD1-CG 4.42Å; I462-W483 HydrophobicContact CD1-CH2 4.15Å; I462-W483 HydrophobicContact CD1-CZ2 3.89Å; I462-W483 HydrophobicContact CD1-CZ3 4.28Å; I462-V486 HydrophobicContact CD1-CG2 3.86Å
463	T	90.5	Very high	89	Confident	62 Å²	62	56.6 Å²	56.6	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-34.2	176.9	-60.4	0	0	0	0	111.7	G459 D460 H461 Y501	G459-T463 WeakPolarHBondContact O-CB 3.33Å; G459-T463 PolarHBondContact O-N 2.98Å; G459-T463 PolarHBondContact O-OG1 3.44Å; D460-T463 CarbonylContact O-C 3.52Å; D460-T463 WeakPolarHBondContact O-CB 3.08Å; D460-T463 PolarHBondContact O-N 2.85Å; H461-T463 VanDerWaalsContact C-N 3.3Å; H461-T463 PolarHBondContact O-N 3.5Å; T463-Y501 PolarHBondContact OG1-OH 3.48Å
464	Q	91.4	Very high	88.8	Confident	97 Å²	97	55.8 Å²	55.8	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-69.1	-49.2	174.1	-175.4	62.5	21.7	0	0	112.1	D460 H461 I462 L466 K467	D460-Q464 PolarHBondContact O-N 3.21Å; H461-Q464 WeakPolarHBondContact O-CB 3.46Å; H461-Q464 PolarHBondContact O-N 3.09Å; H461-Q464 VanDerWaalsContact O-N 3.14Å; I462-Q464 VanDerWaalsContact C-N 3.27Å; I462-Q464 PolarHBondContact O-N 3.06Å; Q464-L466 PolarHBondContact O-N 3.3Å; Q464-L466 VanDerWaalsContact O-N 3.16Å; Q464-K467 WeakPolarHBondContact O-CB 3.39Å; Q464-K467 PolarHBondContact O-N 2.92Å
465	C	88.3	Confident	88.7	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-27	175.7	-68.9	0	0	0	0	112.9	H461 I462 Y469 L482	H461-C465 PolarHBondContact O-N 3.46Å; H461-C465 PolarHBondContact O-SG 3.18Å; I462-C465 PolarHBondContact O-N 3.05Å; C465-Y469 WeakPolarHBondContact O-CD2 3.28Å; C465-Y469 WeakPolarHBondContact O-CE2 3.45Å; C465-L482 HydrophobicContact CB-CD1 4.32Å
466	L	88.9	Confident	88.6	Confident	15 Å²	15	63.9 Å²	63.9	8%	0.079	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-77.7	-15.6	176.8	-69.4	169.5	0	0	0	114	I462 Q464 E468 I475 W478 R479	I462-L466 HydrophobicContact CG2-CD1 3.84Å; I462-L466 HydrophobicContact CG2-CG 4.44Å; I462-L466 WeakPolarHBondContact O-CG 3.42Å; I462-L466 PolarHBondContact O-N 3.29Å; Q464-L466 PolarHBondContact O-N 3.3Å; Q464-L466 VanDerWaalsContact O-N 3.16Å; L466-E468 VanDerWaalsContact C-N 3.26Å; L466-E468 PolarHBondContact O-N 2.66Å; L466-I475 HydrophobicContact CB-CG2 4.47Å; L466-I475 HydrophobicContact CD2-CG2 4.34Å; L466-I475 WeakPolarHBondContact CD2-O 3.42Å; L466-W478 HydrophobicContact CD2-CB 3.73Å; L466-R479 HydrophobicContact CD1-CB 3.68Å; L466-R479 HydrophobicContact CD1-CG 3.8Å; L466-R479 HydrophobicContact CD2-CB 4.06Å
467	K	88.4	Confident	88.5	Confident	145 Å²	145	69 Å²	69	63%	0.63	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-73.7	-17.6	174.2	-64.1	176.6	-168.7	167.5	0	113.2	Q464 Y469	Q464-K467 WeakPolarHBondContact O-CB 3.39Å; Q464-K467 PolarHBondContact O-N 2.92Å; K467-Y469 PolarHBondContact O-N 3.09Å
468	E	85.8	Confident	88.5	Confident	109 Å²	109	65.9 Å²	65.9	51%	0.509	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-74.7	-7.1	178.5	-61.3	177.4	-128.7	0	0	113.2	R424 L466	R424-E468 IonicContact CZ-OE1 3.16Å; R424-E468 IonicContact CZ-OE2 3.82Å; R424-E468 IonicContact NH1-OE1 2.8Å; R424-E468 PolarHBondContact NH1-OE1 2.82Å; R424-E468 IonicContact NH1-OE2 3.55Å; R424-E468 PolarHBondContact NH1-OE2 2.97Å; R424-E468 IonicContact NH2-OE1 2.69Å; R424-E468 IonicContact NH2-OE2 2.89Å; R424-E468 PolarHBondContact NH2-OE2 3.03Å; L466-E468 VanDerWaalsContact C-N 3.26Å; L466-E468 PolarHBondContact O-N 2.66Å
469	Y	86.1	Confident	88.5	Confident	42 Å²	42	71 Å²	71	17%	0.165	35%	0.353	C	S	.	.			trans	-113.9	115.9	-179.3	-59	-87.4	0	0	0	110.1	R424 C465 K467 Q474 I475 W478	R424-Y469 PolarHBondContact NH2-OH 2.64Å; C465-Y469 WeakPolarHBondContact O-CD2 3.28Å; C465-Y469 WeakPolarHBondContact O-CE2 3.45Å; K467-Y469 PolarHBondContact O-N 3.09Å; Y469-Q474 HydrophobicContact CD1-CB 4.34Å; Y469-I475 WeakPolarHBondContact O-CD1 3.4Å; Y469-I475 VanDerWaalsContact O-CG1 3.32Å; Y469-I475 WeakPolarHBondContact O-CG1 3.4Å; Y469-W478 AromaticContact CD1-CD1 3.86Å; Y469-W478 AromaticContact CE1-CD1 3.51Å; Y469-W478 HydrophobicContact CE1-CG 4.36Å; Y469-W478 AromaticContact CE1-NE1 3.37Å; Y469-W478 AromaticContact CE2-CD1 3.97Å; Y469-W478 HydrophobicContact CE2-CG 4.15Å; Y469-W478 AromaticContact CZ-CD1 3.58Å; Y469-W478 AromaticContact CZ-CG 4Å; Y469-W478 AromaticContact CZ-NE1 3.61Å
470	S	88.2	Confident	88.5	Confident	118 Å²	118	77.4 Å²	77.4	83%	0.825	38%	0.381	S	S	*	.			trans	-75.6	-24	174.9	-47.3	0	0	0	0	113.2
471	N	88.3	Confident	88.4	Confident	88 Å²	88	75.6 Å²	75.6	47%	0.471	37%	0.371	S	S	.	.			trans	-79.8	121.6	-174	-67.7	-54.7	0	0	0	111.8	D473 Q474 I475	N471-D473 VanDerWaalsContact C-N 3.29Å; N471-D473 PolarHBondContact O-N 3.43Å; N471-Q474 HydrophobicContact CB-CB 3.96Å; N471-Q474 HydrophobicContact CB-CG 3.86Å; N471-Q474 PolarHBondContact ND2-OE1 3.45Å; N471-Q474 PolarHBondContact O-N 2.99Å; N471-Q474 VanDerWaalsContact O-N 3.17Å; N471-I475 WeakPolarHBondContact O-CG1 3.42Å; N471-I475 PolarHBondContact O-N 2.96Å
472	P	84.8	Confident	88.5	Confident	77 Å²	77	73.8 Å²	73.8	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-31.4	-172.8	24.4	-34.3	0	0	0	113.6	K476	P472-K476 WeakPolarHBondContact O-CE 3.41Å; P472-K476 VanDerWaalsContact O-CG 3.28Å; P472-K476 WeakPolarHBondContact O-CG 3.47Å; P472-K476 PolarHBondContact O-N 3.35Å; P472-K476 VanDerWaalsContact O-N 3.15Å
473	D	85.1	Confident	88.6	Confident	100 Å²	100	74 Å²	74	54%	0.535	36%	0.364	S	S	.	.	H	α-helix	trans	-81.2	-31.8	178.5	-66.5	-67.3	0	0	0	113.2	N471 I475 K476 Q477	N471-D473 VanDerWaalsContact C-N 3.29Å; N471-D473 PolarHBondContact O-N 3.43Å; D473-I475 VanDerWaalsContact C-N 3.35Å; D473-K476 PolarHBondContact O-N 3.45Å; D473-K476 WeakPolarHBondContact OD1-CD 3.48Å; D473-K476 WeakPolarHBondContact OD1-CE 3.31Å; D473-K476 IonicContact OD1-NZ 2.66Å; D473-K476 PolarHBondContact OD1-NZ 2.73Å; D473-K476 IonicContact OD2-NZ 2.69Å; D473-Q477 WeakPolarHBondContact O-CB 3.22Å; D473-Q477 PolarHBondContact O-N 3.09Å
474	Q	83.6	Confident	88.6	Confident	82 Å²	82	71.4 Å²	71.4	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-40.2	168.8	-66.2	179.8	-20	0	0	110.7	Y469 N471 K476 Q477 W478	Y469-Q474 HydrophobicContact CD1-CB 4.34Å; N471-Q474 HydrophobicContact CB-CB 3.96Å; N471-Q474 HydrophobicContact CB-CG 3.86Å; N471-Q474 PolarHBondContact ND2-OE1 3.45Å; N471-Q474 PolarHBondContact O-N 2.99Å; N471-Q474 VanDerWaalsContact O-N 3.17Å; Q474-K476 VanDerWaalsContact C-N 3.34Å; Q474-K476 PolarHBondContact O-N 3.07Å; Q474-Q477 PolarHBondContact O-N 2.94Å; Q474-W478 WeakPolarHBondContact O-CB 3.33Å; Q474-W478 VanDerWaalsContact O-CD1 3.29Å; Q474-W478 PolarHBondContact O-N 3.27Å
475	I	87.3	Confident	88.5	Confident	52 Å²	52	67.2 Å²	67.2	27%	0.267	33%	0.328	S	S	.	.	H	α-helix	trans	-57.1	-46.9	171.5	-66	162.4	0	0	0	110.6	L466 Y469 N471 D473 Q477 R479	L466-I475 HydrophobicContact CB-CG2 4.47Å; L466-I475 HydrophobicContact CD2-CG2 4.34Å; L466-I475 WeakPolarHBondContact CD2-O 3.42Å; Y469-I475 WeakPolarHBondContact O-CD1 3.4Å; Y469-I475 VanDerWaalsContact O-CG1 3.32Å; Y469-I475 WeakPolarHBondContact O-CG1 3.4Å; N471-I475 WeakPolarHBondContact O-CG1 3.42Å; N471-I475 PolarHBondContact O-N 2.96Å; D473-I475 VanDerWaalsContact C-N 3.35Å; I475-Q477 PolarHBondContact O-N 3.41Å; I475-R479 WeakPolarHBondContact O-CB 3.37Å; I475-R479 PolarHBondContact O-N 3.25Å
476	K	89.4	Confident	88.6	Confident	127 Å²	127	66.9 Å²	66.9	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-60.6	-45.6	177.9	-67.8	164.1	-150.2	165.6	0	111.7	P472 D473 Q474 K480	P472-K476 WeakPolarHBondContact O-CE 3.41Å; P472-K476 VanDerWaalsContact O-CG 3.28Å; P472-K476 WeakPolarHBondContact O-CG 3.47Å; P472-K476 PolarHBondContact O-N 3.35Å; P472-K476 VanDerWaalsContact O-N 3.15Å; D473-K476 PolarHBondContact O-N 3.45Å; D473-K476 WeakPolarHBondContact OD1-CD 3.48Å; D473-K476 WeakPolarHBondContact OD1-CE 3.31Å; D473-K476 IonicContact OD1-NZ 2.66Å; D473-K476 PolarHBondContact OD1-NZ 2.73Å; D473-K476 IonicContact OD2-NZ 2.69Å; Q474-K476 VanDerWaalsContact C-N 3.34Å; Q474-K476 PolarHBondContact O-N 3.07Å; K476-K480 PolarHBondContact O-N 3.07Å
477	Q	88	Confident	88.7	Confident	119 Å²	119	67.1 Å²	67.1	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-68.9	-51.2	-177.7	-170.1	176.7	10	0	0	112.1	D473 Q474 I475 R479 K480 N481	D473-Q477 WeakPolarHBondContact O-CB 3.22Å; D473-Q477 PolarHBondContact O-N 3.09Å; Q474-Q477 PolarHBondContact O-N 2.94Å; I475-Q477 PolarHBondContact O-N 3.41Å; Q477-R479 PolarHBondContact O-N 2.89Å; Q477-K480 WeakPolarHBondContact O-CB 3.28Å; Q477-K480 PolarHBondContact O-N 2.83Å; Q477-N481 VanDerWaalsContact O-CG 3.23Å; Q477-N481 PolarHBondContact O-N 3.14Å; Q477-N481 PolarHBondContact O-OD1 3.15Å
478	W	90.3	Very high	88.6	Confident	47 Å²	47	65.6 Å²	65.6	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-33.6	176	-77.3	111.7	0	0	0	112.1	T417 V420 L466 Y469 Q474 N481 L482	T417-W478 HydrophobicContact CG2-CZ3 4.32Å; V420-W478 HydrophobicContact CB-CH2 3.84Å; V420-W478 HydrophobicContact CB-CZ3 4.09Å; V420-W478 HydrophobicContact CG1-CH2 3.53Å; V420-W478 HydrophobicContact CG1-CZ2 4.39Å; V420-W478 HydrophobicContact CG1-CZ3 3.73Å; V420-W478 HydrophobicContact CG2-CH2 4.37Å; L466-W478 HydrophobicContact CD2-CB 3.73Å; Y469-W478 AromaticContact CD1-CD1 3.86Å; Y469-W478 AromaticContact CE1-CD1 3.51Å; Y469-W478 HydrophobicContact CE1-CG 4.36Å; Y469-W478 AromaticContact CE1-NE1 3.37Å; Y469-W478 AromaticContact CE2-CD1 3.97Å; Y469-W478 HydrophobicContact CE2-CG 4.15Å; Y469-W478 AromaticContact CZ-CD1 3.58Å; Y469-W478 AromaticContact CZ-CG 4Å; Y469-W478 AromaticContact CZ-NE1 3.61Å; Q474-W478 WeakPolarHBondContact O-CB 3.33Å; Q474-W478 VanDerWaalsContact O-CD1 3.29Å; Q474-W478 PolarHBondContact O-N 3.27Å; W478-N481 HydrophobicContact CE3-CB 4.45Å; W478-N481 PolarHBondContact O-N 3.35Å; W478-L482 WeakPolarHBondContact O-CB 3.34Å; W478-L482 VanDerWaalsContact O-CG 3.26Å; W478-L482 WeakPolarHBondContact O-CG 3.49Å; W478-L482 PolarHBondContact O-N 3.22Å
479	R	90.5	Very high	88.6	Confident	107 Å²	107	63.6 Å²	63.6	40%	0.404	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-40.5	173.1	-171.9	171.5	180	172.2	-2.4	112	L466 I475 Q477 W483 H498	L466-R479 HydrophobicContact CD1-CB 3.68Å; L466-R479 HydrophobicContact CD1-CG 3.8Å; L466-R479 HydrophobicContact CD2-CB 4.06Å; I475-R479 WeakPolarHBondContact O-CB 3.37Å; I475-R479 PolarHBondContact O-N 3.25Å; Q477-R479 PolarHBondContact O-N 2.89Å; R479-W483 PolarHBondContact O-N 2.85Å; R479-H498 PolarHBondContact NE-CE1 3.48Å; R479-H498 PolarHBondContact NH2-NE2 3.15Å
480	K	90.3	Very high	88.5	Confident	135 Å²	135	62.7 Å²	62.7	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-58.9	-53.9	171.3	-173.9	-158.9	174.7	-161.4	0	109.7	K476 Q477 L482 W483 I484	K476-K480 PolarHBondContact O-N 3.07Å; Q477-K480 WeakPolarHBondContact O-CB 3.28Å; Q477-K480 PolarHBondContact O-N 2.83Å; K480-L482 PolarHBondContact O-N 2.58Å; K480-W483 PolarHBondContact O-N 3.11Å; K480-I484 HydrophobicContact CD-CD1 4.25Å; K480-I484 HydrophobicContact CG-CD1 3.83Å; K480-I484 WeakPolarHBondContact O-CG1 3.34Å; K480-I484 PolarHBondContact O-N 3.2Å
481	N	90.8	Very high	88.2	Confident	18 Å²	18	66.1 Å²	66.1	10%	0.096	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-44.8	-172	-62.4	-2.2	0	0	0	112.2	L413 T417 Q477 W478 I484 F485	L413-N481 HydrophobicContact CD2-CB 4.21Å; L413-N481 HydrophobicContact CG-CB 4.48Å; T417-N481 HydrophobicContact CG2-CB 4.07Å; T417-N481 VanDerWaalsContact CG2-ND2 3.29Å; T417-N481 WeakPolarHBondContact CG2-ND2 3.37Å; Q477-N481 VanDerWaalsContact O-CG 3.23Å; Q477-N481 PolarHBondContact O-N 3.14Å; Q477-N481 PolarHBondContact O-OD1 3.15Å; W478-N481 HydrophobicContact CE3-CB 4.45Å; W478-N481 PolarHBondContact O-N 3.35Å; N481-I484 PolarHBondContact O-N 3.22Å; N481-F485 PolarHBondContact O-N 3.34Å
482	L	91.1	Very high	88	Confident	3 Å²	3	65 Å²	65	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-41	178.3	-70.1	173.7	0	0	0	112.6	C421 R424 M425 I462 C465 W478 K480 I484 F485 V486	C421-L482 HydrophobicContact CB-CD2 3.99Å; R424-L482 HydrophobicContact CB-CD2 4.2Å; M425-L482 HydrophobicContact CE-CD1 4.48Å; M425-L482 HydrophobicContact CE-CD2 4.04Å; M425-L482 HydrophobicContact CG-CD2 4.17Å; M425-L482 HydrophobicContact SD-CD2 4.48Å; I462-L482 HydrophobicContact CD1-CB 4.25Å; I462-L482 HydrophobicContact CG1-CB 4.18Å; I462-L482 HydrophobicContact CG1-CD1 4.48Å; I462-L482 HydrophobicContact CG2-CB 4.2Å; I462-L482 HydrophobicContact CG2-CD1 4.1Å; C465-L482 HydrophobicContact CB-CD1 4.32Å; W478-L482 WeakPolarHBondContact O-CB 3.34Å; W478-L482 VanDerWaalsContact O-CG 3.26Å; W478-L482 WeakPolarHBondContact O-CG 3.49Å; W478-L482 PolarHBondContact O-N 3.22Å; K480-L482 PolarHBondContact O-N 2.58Å; L482-I484 VanDerWaalsContact C-N 3.35Å; L482-I484 PolarHBondContact O-N 3.3Å; L482-F485 WeakPolarHBondContact O-CB 3.37Å; L482-F485 PolarHBondContact O-N 2.95Å; L482-V486 WeakPolarHBondContact O-CG2 3.47Å; L482-V486 PolarHBondContact O-N 3.21Å
483	W	92.7	Very high	88.1	Confident	5 Å²	5	65.6 Å²	65.6	2%	0.019	30%	0.304	C	S	.	.	H	α-helix	trans	-69.6	-30.4	176.1	-78	108.4	0	0	0	112.9	I462 R479 K480 S487 A494 L497 H498 Y501	I462-W483 HydrophobicContact CD1-CD2 3.91Å; I462-W483 HydrophobicContact CD1-CE3 4.17Å; I462-W483 HydrophobicContact CD1-CG 4.42Å; I462-W483 HydrophobicContact CD1-CH2 4.15Å; I462-W483 HydrophobicContact CD1-CZ2 3.89Å; I462-W483 HydrophobicContact CD1-CZ3 4.28Å; R479-W483 PolarHBondContact O-N 2.85Å; K480-W483 PolarHBondContact O-N 3.11Å; W483-S487 PolarHBondContact O-N 3.29Å; W483-S487 VanDerWaalsContact O-N 3.14Å; W483-S487 PolarHBondContact O-OG 3.24Å; W483-A494 VanDerWaalsContact C-CB 3.5Å; W483-A494 HydrophobicContact CB-CB 4.04Å; W483-A494 WeakPolarHBondContact O-CB 3.42Å; W483-L497 HydrophobicContact CE3-CB 3.75Å; W483-L497 HydrophobicContact CZ3-CB 3.85Å; W483-H498 AromaticContact CD1-ND1 3.58Å; W483-H498 HydrophobicContact CD2-CB 3.95Å; W483-H498 HydrophobicContact CE3-CB 4.37Å; W483-H498 HydrophobicContact CG-CB 4.12Å; W483-H498 AromaticContact NE1-CG 3.92Å; W483-H498 AromaticContact NE1-ND1 3.79Å; W483-Y501 AromaticContact CH2-CD1 3.85Å; W483-Y501 HydrophobicContact CH2-CD1 3.85Å; W483-Y501 AromaticContact CH2-CG 3.78Å; W483-Y501 HydrophobicContact CH2-CG 3.78Å; W483-Y501 AromaticContact CZ2-CD1 3.43Å; W483-Y501 HydrophobicContact CZ2-CD1 3.43Å; W483-Y501 VanDerWaalsContact CZ2-CD1 3.43Å; W483-Y501 HydrophobicContact CZ2-CE1 4.06Å; W483-Y501 AromaticContact CZ2-CG 3.87Å; W483-Y501 HydrophobicContact CZ2-CG 3.87Å
484	I	90.6	Very high	88.3	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-68.6	-41.9	171.1	-64.2	169	0	0	0	110.8	L413 K480 N481 L482 V486 S487 K488 A494	L413-I484 HydrophobicContact CD1-CB 3.75Å; L413-I484 HydrophobicContact CD1-CD1 4.35Å; L413-I484 HydrophobicContact CD1-CG2 3.48Å; L413-I484 VanDerWaalsContact CD1-CG2 3.48Å; K480-I484 HydrophobicContact CD-CD1 4.25Å; K480-I484 HydrophobicContact CG-CD1 3.83Å; K480-I484 WeakPolarHBondContact O-CG1 3.34Å; K480-I484 PolarHBondContact O-N 3.2Å; N481-I484 PolarHBondContact O-N 3.22Å; L482-I484 VanDerWaalsContact C-N 3.35Å; L482-I484 PolarHBondContact O-N 3.3Å; I484-V486 VanDerWaalsContact C-N 3.33Å; I484-V486 PolarHBondContact O-N 3.09Å; I484-S487 WeakPolarHBondContact CA-OG 3.44Å; I484-S487 PolarHBondContact O-N 2.86Å; I484-S487 VanDerWaalsContact O-N 3.12Å; I484-S487 PolarHBondContact O-OG 2.98Å; I484-K488 PolarHBondContact O-N 3.38Å; I484-A494 HydrophobicContact CB-CB 4.4Å; I484-A494 HydrophobicContact CG1-CB 3.73Å
485	F	90.7	Very high	88.4	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.035	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-44.8	173.9	-178.2	-89	0	0	0	111.8	L413 F418 C421 K422 M425 N481 L482 S487 K488 F489	L413-F485 HydrophobicContact CD2-CB 4.29Å; F418-F485 AromaticContact CD2-CD2 3.72Å; F418-F485 HydrophobicContact CD2-CD2 3.72Å; F418-F485 AromaticContact CD2-CE2 3.88Å; F418-F485 HydrophobicContact CD2-CE2 3.88Å; F418-F485 HydrophobicContact CE1-CE2 4.29Å; F418-F485 AromaticContact CE2-CD2 3.65Å; F418-F485 HydrophobicContact CE2-CD2 3.65Å; F418-F485 AromaticContact CE2-CE2 3.51Å; F418-F485 HydrophobicContact CE2-CE2 3.51Å; F418-F485 HydrophobicContact CG-CD2 4.46Å; F418-F485 HydrophobicContact CG-CE2 4.42Å; F418-F485 HydrophobicContact CZ-CD2 4.35Å; F418-F485 AromaticContact CZ-CE2 3.74Å; F418-F485 HydrophobicContact CZ-CE2 3.74Å; C421-F485 HydrophobicContact CB-CB 3.78Å; C421-F485 HydrophobicContact CB-CD1 4.4Å; C421-F485 HydrophobicContact CB-CD2 3.58Å; C421-F485 HydrophobicContact CB-CE2 4.29Å; C421-F485 HydrophobicContact CB-CG 3.65Å; K422-F485 VanDerWaalsContact CA-CZ 3.46Å; K422-F485 HydrophobicContact CB-CE2 3.8Å; K422-F485 HydrophobicContact CB-CZ 3.86Å; K422-F485 HydrophobicContact CG-CZ 4.36Å; M425-F485 HydrophobicContact CB-CD1 4.11Å; M425-F485 HydrophobicContact CB-CE1 3.72Å; M425-F485 HydrophobicContact CG-CD1 3.77Å; M425-F485 HydrophobicContact CG-CE1 3.93Å; N481-F485 PolarHBondContact O-N 3.34Å; L482-F485 WeakPolarHBondContact O-CB 3.37Å; L482-F485 PolarHBondContact O-N 2.95Å; F485-S487 VanDerWaalsContact C-N 3.33Å; F485-S487 PolarHBondContact O-N 3.44Å; F485-K488 PolarHBondContact O-N 2.93Å; F485-F489 AromaticContact CD1-CE2 3.96Å; F485-F489 HydrophobicContact CD1-CE2 3.96Å; F485-F489 HydrophobicContact CE1-CD2 4.4Å; F485-F489 AromaticContact CE1-CE2 3.45Å; F485-F489 HydrophobicContact CE1-CE2 3.45Å; F485-F489 VanDerWaalsContact CE1-CE2 3.45Å; F485-F489 HydrophobicContact CE1-CZ 4.04Å; F485-F489 HydrophobicContact CE2-CE2 4.34Å; F485-F489 AromaticContact CZ-CE2 3.66Å; F485-F489 HydrophobicContact CZ-CE2 3.66Å; F485-F489 AromaticContact CZ-CZ 3.89Å; F485-F489 HydrophobicContact CZ-CZ 3.89Å; F485-F489 VanDerWaalsContact O-CD2 3.3Å; F485-F489 WeakPolarHBondContact O-CD2 3.39Å; F485-F489 WeakPolarHBondContact O-CE2 3.31Å
486	V	90.6	Very high	88.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-37.1	175.7	179.5	0	0	0	0	112.1	M425 L432 I458 I462 L482 I484 K488 F489 L497	M425-V486 HydrophobicContact SD-CG2 4.42Å; L432-V486 HydrophobicContact CD2-CB 4.36Å; L432-V486 HydrophobicContact CD2-CG1 3.82Å; L432-V486 HydrophobicContact CD2-CG2 4.07Å; I458-V486 HydrophobicContact CG2-CG1 4.03Å; I458-V486 HydrophobicContact CG2-CG2 3.67Å; I462-V486 HydrophobicContact CD1-CG2 3.86Å; L482-V486 WeakPolarHBondContact O-CG2 3.47Å; L482-V486 PolarHBondContact O-N 3.21Å; I484-V486 VanDerWaalsContact C-N 3.33Å; I484-V486 PolarHBondContact O-N 3.09Å; V486-K488 PolarHBondContact O-N 2.95Å; V486-K488 VanDerWaalsContact O-N 3.15Å; V486-F489 PolarHBondContact O-N 3.37Å; V486-L497 HydrophobicContact CB-CD1 4.17Å; V486-L497 HydrophobicContact CG1-CD1 3.76Å
487	S	90.4	Very high	88.4	Confident	20 Å²	20	62.5 Å²	62.5	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-14.2	177	54.7	0	0	0	0	114.8	W483 I484 F485 F489 F492	W483-S487 PolarHBondContact O-N 3.29Å; W483-S487 VanDerWaalsContact O-N 3.14Å; W483-S487 PolarHBondContact O-OG 3.24Å; I484-S487 WeakPolarHBondContact CA-OG 3.44Å; I484-S487 PolarHBondContact O-N 2.86Å; I484-S487 VanDerWaalsContact O-N 3.12Å; I484-S487 PolarHBondContact O-OG 2.98Å; F485-S487 VanDerWaalsContact C-N 3.33Å; F485-S487 PolarHBondContact O-N 3.44Å; S487-F489 PolarHBondContact O-N 3.25Å; S487-F492 WeakPolarHBondContact CB-O 3.4Å
488	K	86.4	Confident	88.4	Confident	113 Å²	113	59.3 Å²	59.3	49%	0.491	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-0.8	170.3	-54.4	-66.7	-179.5	177.2	0	113.4	E411 I484 F485 V486	E411-K488 WeakPolarHBondContact O-CE 3.43Å; E411-K488 PolarHBondContact O-NZ 3.09Å; I484-K488 PolarHBondContact O-N 3.38Å; F485-K488 PolarHBondContact O-N 2.93Å; V486-K488 PolarHBondContact O-N 2.95Å; V486-K488 VanDerWaalsContact O-N 3.15Å
489	F	84.6	Confident	88.4	Confident	66 Å²	66	63.6 Å²	63.6	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	14.9	177.7	-59.1	-90.7	0	0	0	112.9	L432 D436 F485 V486 S487	L432-F489 HydrophobicContact CD2-CD2 4.41Å; D436-F489 VanDerWaalsContact CA-O 3.3Å; D436-F489 WeakPolarHBondContact CA-O 3.29Å; D436-F489 PolarHBondContact N-O 2.94Å; F485-F489 AromaticContact CD1-CE2 3.96Å; F485-F489 HydrophobicContact CD1-CE2 3.96Å; F485-F489 HydrophobicContact CE1-CD2 4.4Å; F485-F489 AromaticContact CE1-CE2 3.45Å; F485-F489 HydrophobicContact CE1-CE2 3.45Å; F485-F489 VanDerWaalsContact CE1-CE2 3.45Å; F485-F489 HydrophobicContact CE1-CZ 4.04Å; F485-F489 HydrophobicContact CE2-CE2 4.34Å; F485-F489 AromaticContact CZ-CE2 3.66Å; F485-F489 HydrophobicContact CZ-CE2 3.66Å; F485-F489 AromaticContact CZ-CZ 3.89Å; F485-F489 HydrophobicContact CZ-CZ 3.89Å; F485-F489 VanDerWaalsContact O-CD2 3.3Å; F485-F489 WeakPolarHBondContact O-CD2 3.39Å; F485-F489 WeakPolarHBondContact O-CE2 3.31Å; V486-F489 PolarHBondContact O-N 3.37Å; S487-F489 PolarHBondContact O-N 3.25Å
490	T	83.8	Confident	88.2	Confident	24 Å²	24	61.9 Å²	61.9	15%	0.147	28%	0.282	C	S	.	.	S	Bend	trans	-155.5	156	-177	67.2	0	0	0	0	111.9	L435 F492 L497	L435-T490 HydrophobicContact CB-CG2 4.25Å; L435-T490 HydrophobicContact CD2-CG2 3.44Å; L435-T490 VanDerWaalsContact CD2-CG2 3.44Å; L435-T490 HydrophobicContact CG-CG2 3.54Å; T490-F492 PolarHBondContact O-N 2.68Å; T490-F492 PolarHBondContact OG1-N 3.14Å; T490-F492 PolarHBondContact OG1-O 2.81Å; T490-F492 VanDerWaalsContact OG1-O 3.12Å; T490-L497 HydrophobicContact CG2-CD2 4.15Å
491	E	82.8	Confident	88.2	Confident	190 Å²	190	56 Å²	56	89%	0.888	26%	0.257	S	S	*	.	S	Bend	trans	-71.6	16	168.6	-57.7	177.2	173	0	0	114.3
492	F	83.7	Confident	88.2	Confident	64 Å²	64	62.2 Å²	62.2	28%	0.281	28%	0.283	S	S	.	.	S	Bend	trans	-122.2	121.1	-175.3	-59.2	-32.8	0	0	0	111.6	S487 T490 K496 L497 L500	S487-F492 WeakPolarHBondContact CB-O 3.4Å; T490-F492 PolarHBondContact O-N 2.68Å; T490-F492 PolarHBondContact OG1-N 3.14Å; T490-F492 PolarHBondContact OG1-O 2.81Å; T490-F492 VanDerWaalsContact OG1-O 3.12Å; F492-K496 HydrophobicContact CB-CB 4.39Å; F492-K496 HydrophobicContact CB-CD 4.05Å; F492-K496 HydrophobicContact CB-CG 4.28Å; F492-K496 HydrophobicContact CD1-CD 3.75Å; F492-K496 VanDerWaalsContact CD1-NZ 3.27Å; F492-K496 HydrophobicContact CG-CD 4.12Å; F492-K496 HydrophobicContact CG-CG 4.5Å; F492-L497 HydrophobicContact CB-CD2 3.81Å; F492-L497 HydrophobicContact CB-CG 3.82Å; F492-L497 HydrophobicContact CD2-CD2 4.08Å; F492-L497 HydrophobicContact CG-CD2 4.48Å; F492-L497 VanDerWaalsContact O-CD1 3.3Å; F492-L497 WeakPolarHBondContact O-CD1 3.45Å; F492-L497 WeakPolarHBondContact O-CG 3.4Å; F492-L500 HydrophobicContact CD2-CD1 4.12Å; F492-L500 HydrophobicContact CE2-CD1 4.28Å
493	D	88.1	Confident	87.9	Confident	89 Å²	89	67.3 Å²	67.3	48%	0.476	31%	0.306	S	S	.	.			trans	-57	150.7	174.2	26.7	-64.2	0	0	0	112.8	R495 K496 L497	D493-R495 PolarHBondContact O-N 3.18Å; D493-K496 WeakPolarHBondContact O-CA 3.33Å; D493-K496 WeakPolarHBondContact O-CB 3.19Å; D493-K496 PolarHBondContact O-N 2.9Å; D493-L497 PolarHBondContact O-N 3.38Å
494	A	88.9	Confident	87.7	Confident	9 Å²	9	67.3 Å²	67.3	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-45.5	-37.6	-178.4	0	0	0	0	0	113.8	W483 I484 H498	W483-A494 VanDerWaalsContact C-CB 3.5Å; W483-A494 HydrophobicContact CB-CB 4.04Å; W483-A494 WeakPolarHBondContact O-CB 3.42Å; I484-A494 HydrophobicContact CB-CB 4.4Å; I484-A494 HydrophobicContact CG1-CB 3.73Å; A494-H498 VanDerWaalsContact O-CB 3.24Å; A494-H498 WeakPolarHBondContact O-CB 3.34Å; A494-H498 PolarHBondContact O-N 2.89Å
495	R	86.2	Confident	87.6	Confident	192 Å²	192	68.9 Å²	68.9	73%	0.725	32%	0.315	S	S	*	.	H	α-helix	trans	-72.2	-38.5	179.5	-53.9	-177.2	-166.7	-137.5	5.5	112.1	D493 K499	D493-R495 PolarHBondContact O-N 3.18Å; R495-K499 WeakPolarHBondContact O-CB 3.35Å; R495-K499 PolarHBondContact O-N 3.25Å; R495-K499 VanDerWaalsContact O-N 3.08Å
496	K	87.7	Confident	87.4	Confident	95 Å²	95	73.9 Å²	73.9	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-69	-47.6	176.8	-171.1	175	176.2	-176.7	0	110.3	F492 D493 K499 L500	F492-K496 HydrophobicContact CB-CB 4.39Å; F492-K496 HydrophobicContact CB-CD 4.05Å; F492-K496 HydrophobicContact CB-CG 4.28Å; F492-K496 HydrophobicContact CD1-CD 3.75Å; F492-K496 VanDerWaalsContact CD1-NZ 3.27Å; F492-K496 HydrophobicContact CG-CD 4.12Å; F492-K496 HydrophobicContact CG-CG 4.5Å; D493-K496 WeakPolarHBondContact O-CA 3.33Å; D493-K496 WeakPolarHBondContact O-CB 3.19Å; D493-K496 PolarHBondContact O-N 2.9Å; K496-K499 PolarHBondContact O-N 3.05Å; K496-L500 HydrophobicContact CG-CD1 4.48Å; K496-L500 WeakPolarHBondContact O-CG 3.42Å; K496-L500 PolarHBondContact O-N 3.35Å
497	L	87.7	Confident	87	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-56.4	-52.7	173.9	-71.6	171.5	0	0	0	112.9	L435 L455 W483 V486 T490 F492 D493 K499 L500 Y501	L435-L497 HydrophobicContact CD2-CD2 4.36Å; L455-L497 HydrophobicContact CD2-CD2 3.71Å; W483-L497 HydrophobicContact CE3-CB 3.75Å; W483-L497 HydrophobicContact CZ3-CB 3.85Å; V486-L497 HydrophobicContact CB-CD1 4.17Å; V486-L497 HydrophobicContact CG1-CD1 3.76Å; T490-L497 HydrophobicContact CG2-CD2 4.15Å; F492-L497 HydrophobicContact CB-CD2 3.81Å; F492-L497 HydrophobicContact CB-CG 3.82Å; F492-L497 HydrophobicContact CD2-CD2 4.08Å; F492-L497 HydrophobicContact CG-CD2 4.48Å; F492-L497 VanDerWaalsContact O-CD1 3.3Å; F492-L497 WeakPolarHBondContact O-CD1 3.45Å; F492-L497 WeakPolarHBondContact O-CG 3.4Å; D493-L497 PolarHBondContact O-N 3.38Å; L497-K499 VanDerWaalsContact C-N 3.29Å; L497-K499 PolarHBondContact O-N 3.45Å; L497-L500 PolarHBondContact O-N 2.93Å; L497-L500 VanDerWaalsContact O-N 3.11Å; L497-Y501 PolarHBondContact O-N 3.2Å
498	H	87.7	Confident	86.6	Confident	52 Å²	52	83 Å²	83	24%	0.241	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-40.3	177.9	-172.9	160.6	0	0	0	111.1	R479 W483 A494 Y501 K502	R479-H498 PolarHBondContact NE-CE1 3.48Å; R479-H498 PolarHBondContact NH2-NE2 3.15Å; W483-H498 AromaticContact CD1-ND1 3.58Å; W483-H498 HydrophobicContact CD2-CB 3.95Å; W483-H498 HydrophobicContact CE3-CB 4.37Å; W483-H498 HydrophobicContact CG-CB 4.12Å; W483-H498 AromaticContact NE1-CG 3.92Å; W483-H498 AromaticContact NE1-ND1 3.79Å; A494-H498 VanDerWaalsContact O-CB 3.24Å; A494-H498 WeakPolarHBondContact O-CB 3.34Å; A494-H498 PolarHBondContact O-N 2.89Å; H498-Y501 PolarHBondContact O-N 3.04Å; H498-K502 PolarHBondContact O-N 3.21Å
499	K	90.3	Very high	86.4	Confident	138 Å²	138	83.2 Å²	83.2	60%	0.6	37%	0.374	S	S	*	.	H	α-helix	trans	-63.4	-44.9	174.5	-172	-177.4	177.3	-169.6	0	111.4	R495 K496 L497 K502 H503	R495-K499 WeakPolarHBondContact O-CB 3.35Å; R495-K499 PolarHBondContact O-N 3.25Å; R495-K499 VanDerWaalsContact O-N 3.08Å; K496-K499 PolarHBondContact O-N 3.05Å; L497-K499 VanDerWaalsContact C-N 3.29Å; L497-K499 PolarHBondContact O-N 3.45Å; K499-K502 PolarHBondContact O-N 2.86Å; K499-H503 PolarHBondContact O-N 3.19Å; K499-H503 PolarHBondContact O-ND1 2.91Å
500	L	87.2	Confident	86.1	Confident	70 Å²	70	84 Å²	84	37%	0.366	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-47.3	176.8	-70.5	169	0	0	0	111.3	L455 F492 K496 L497 K502 H503 A504	L455-L500 HydrophobicContact CD1-CB 4.01Å; L455-L500 HydrophobicContact CD1-CD1 4.39Å; F492-L500 HydrophobicContact CD2-CD1 4.12Å; F492-L500 HydrophobicContact CE2-CD1 4.28Å; K496-L500 HydrophobicContact CG-CD1 4.48Å; K496-L500 WeakPolarHBondContact O-CG 3.42Å; K496-L500 PolarHBondContact O-N 3.35Å; L497-L500 PolarHBondContact O-N 2.93Å; L497-L500 VanDerWaalsContact O-N 3.11Å; L500-K502 VanDerWaalsContact C-N 3.34Å; L500-K502 PolarHBondContact O-N 2.99Å; L500-H503 PolarHBondContact O-N 3.17Å; L500-H503 VanDerWaalsContact O-N 3.07Å; L500-A504 WeakPolarHBondContact O-CB 3.47Å; L500-A504 PolarHBondContact O-N 2.66Å
501	Y	90.3	Very high	85.8	Confident	13 Å²	13	86.9 Å²	86.9	5%	0.051	39%	0.393	C	S	.	.	H	α-helix	trans	-54	-46.8	173.3	170.6	-122	0	0	0	112.1	L455 G459 D460 T463 W483 L497 H498 H503 A504 I505	L455-Y501 WeakPolarHBondContact O-CD2 3.43Å; G459-Y501 VanDerWaalsContact C-CE2 3.46Å; G459-Y501 VanDerWaalsContact CA-CE2 3.44Å; G459-Y501 VanDerWaalsContact CA-CZ 3.46Å; G459-Y501 PolarHBondContact O-OH 3.33Å; G459-Y501 VanDerWaalsContact O-OH 3.09Å; D460-Y501 WeakPolarHBondContact CA-OH 3.4Å; D460-Y501 PolarHBondContact N-OH 2.87Å; D460-Y501 WeakPolarHBondContact OD1-CE2 3.49Å; D460-Y501 PolarHBondContact OD1-OH 2.92Å; T463-Y501 PolarHBondContact OG1-OH 3.48Å; W483-Y501 AromaticContact CH2-CD1 3.85Å; W483-Y501 HydrophobicContact CH2-CD1 3.85Å; W483-Y501 AromaticContact CH2-CG 3.78Å; W483-Y501 HydrophobicContact CH2-CG 3.78Å; W483-Y501 AromaticContact CZ2-CD1 3.43Å; W483-Y501 HydrophobicContact CZ2-CD1 3.43Å; W483-Y501 VanDerWaalsContact CZ2-CD1 3.43Å; W483-Y501 HydrophobicContact CZ2-CE1 4.06Å; W483-Y501 AromaticContact CZ2-CG 3.87Å; W483-Y501 HydrophobicContact CZ2-CG 3.87Å; L497-Y501 PolarHBondContact O-N 3.2Å; H498-Y501 PolarHBondContact O-N 3.04Å; Y501-H503 VanDerWaalsContact C-N 3.28Å; Y501-H503 PolarHBondContact O-N 2.85Å; Y501-A504 WeakPolarHBondContact O-CB 3.49Å; Y501-A504 PolarHBondContact O-N 2.81Å; Y501-A504 VanDerWaalsContact O-N 3.07Å; Y501-I505 HydrophobicContact CD1-CD1 3.87Å; Y501-I505 HydrophobicContact CD2-CD1 3.93Å; Y501-I505 HydrophobicContact CD2-CG1 3.87Å; Y501-I505 HydrophobicContact CE1-CD1 3.41Å; Y501-I505 VanDerWaalsContact CE1-CD1 3.41Å; Y501-I505 HydrophobicContact CE1-CG1 4.34Å; Y501-I505 HydrophobicContact CE2-CD1 3.46Å; Y501-I505 VanDerWaalsContact CE2-CD1 3.46Å; Y501-I505 HydrophobicContact CE2-CG1 3.44Å; Y501-I505 VanDerWaalsContact CE2-CG1 3.44Å; Y501-I505 HydrophobicContact CG-CD1 4.12Å; Y501-I505 HydrophobicContact CG-CG1 4.47Å; Y501-I505 WeakPolarHBondContact O-CG1 3.31Å; Y501-I505 PolarHBondContact O-N 2.89Å; Y501-I505 WeakPolarHBondContact OH-CD1 3.36Å
502	K	89.8	Confident	85.5	Confident	148 Å²	148	80 Å²	80	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-60	-35.3	177.2	-171.8	174.1	-178.8	178	0	113	H498 K499 L500 K506	H498-K502 PolarHBondContact O-N 3.21Å; K499-K502 PolarHBondContact O-N 2.86Å; L500-K502 VanDerWaalsContact C-N 3.34Å; L500-K502 PolarHBondContact O-N 2.99Å; K502-K506 WeakPolarHBondContact O-CB 3.34Å; K502-K506 PolarHBondContact O-N 3.14Å
503	H	86.7	Confident	85.1	Confident	109 Å²	109	82.7 Å²	82.7	51%	0.505	38%	0.382	S	S	.	.	H	α-helix	trans	-76.2	-35.8	174.7	-68.1	66.4	0	0	0	111.5	K499 L500 Y501 K506 K507	K499-H503 PolarHBondContact O-N 3.19Å; K499-H503 PolarHBondContact O-ND1 2.91Å; L500-H503 PolarHBondContact O-N 3.17Å; L500-H503 VanDerWaalsContact O-N 3.07Å; Y501-H503 VanDerWaalsContact C-N 3.28Å; Y501-H503 PolarHBondContact O-N 2.85Å; H503-K506 PolarHBondContact O-N 3.5Å; H503-K507 WeakPolarHBondContact O-CB 3.45Å; H503-K507 PolarHBondContact O-N 3.16Å
504	A	87.5	Confident	84.3	Confident	5 Å²	5	82.3 Å²	82.3	4%	0.041	38%	0.383	C	S	.	.	H	α-helix	trans	-64.1	-41.7	177.7	0	0	0	0	0	112.6	R452 I456 L500 Y501 R508	R452-A504 HydrophobicContact CG-CB 3.66Å; R452-A504 PolarHBondContact NE-O 3.5Å; R452-A504 PolarHBondContact NH2-O 3.11Å; I456-A504 HydrophobicContact CD1-CB 3.99Å; I456-A504 HydrophobicContact CG1-CB 3.64Å; L500-A504 WeakPolarHBondContact O-CB 3.47Å; L500-A504 PolarHBondContact O-N 2.66Å; Y501-A504 WeakPolarHBondContact O-CB 3.49Å; Y501-A504 PolarHBondContact O-N 2.81Å; Y501-A504 VanDerWaalsContact O-N 3.07Å; A504-R508 WeakPolarHBondContact O-CB 3.49Å; A504-R508 PolarHBondContact O-N 2.78Å; A504-R508 VanDerWaalsContact O-N 3.09Å
505	I	87.7	Confident	83.4	Confident	42 Å²	42	86.2 Å²	86.2	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-61.6	-50	169.9	-60.9	160.1	0	0	0	110.5	Y501 K507 R508 Q509	Y501-I505 HydrophobicContact CD1-CD1 3.87Å; Y501-I505 HydrophobicContact CD2-CD1 3.93Å; Y501-I505 HydrophobicContact CD2-CG1 3.87Å; Y501-I505 HydrophobicContact CE1-CD1 3.41Å; Y501-I505 VanDerWaalsContact CE1-CD1 3.41Å; Y501-I505 HydrophobicContact CE1-CG1 4.34Å; Y501-I505 HydrophobicContact CE2-CD1 3.46Å; Y501-I505 VanDerWaalsContact CE2-CD1 3.46Å; Y501-I505 HydrophobicContact CE2-CG1 3.44Å; Y501-I505 VanDerWaalsContact CE2-CG1 3.44Å; Y501-I505 HydrophobicContact CG-CD1 4.12Å; Y501-I505 HydrophobicContact CG-CG1 4.47Å; Y501-I505 WeakPolarHBondContact O-CG1 3.31Å; Y501-I505 PolarHBondContact O-N 2.89Å; Y501-I505 WeakPolarHBondContact OH-CD1 3.36Å; I505-K507 PolarHBondContact O-N 2.99Å; I505-R508 CarbonylContact O-C 3.57Å; I505-R508 WeakPolarHBondContact O-CA 3.41Å; I505-R508 VanDerWaalsContact O-CB 3.31Å; I505-R508 WeakPolarHBondContact O-CB 3.44Å; I505-R508 PolarHBondContact O-N 2.72Å; I505-Q509 HydrophobicContact CG2-CG 4.19Å; I505-Q509 PolarHBondContact O-N 2.89Å
506	K	86.8	Confident	82.6	Confident	113 Å²	113	82.5 Å²	82.5	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-57.8	-49.1	-177.4	-173.4	175.4	-179.2	-69.3	0	111.1	K502 H503 R508 Q509 E510	K502-K506 WeakPolarHBondContact O-CB 3.34Å; K502-K506 PolarHBondContact O-N 3.14Å; H503-K506 PolarHBondContact O-N 3.5Å; K506-R508 PolarHBondContact O-N 2.7Å; K506-Q509 PolarHBondContact O-N 3.34Å; K506-E510 IonicContact NZ-OE1 2.7Å; K506-E510 PolarHBondContact NZ-OE1 3.48Å; K506-E510 IonicContact NZ-OE2 2.72Å; K506-E510 WeakPolarHBondContact O-CB 3.45Å; K506-E510 VanDerWaalsContact O-CG 3.3Å; K506-E510 WeakPolarHBondContact O-CG 3.3Å; K506-E510 PolarHBondContact O-N 2.86Å
507	K	82.6	Confident	81.4	Confident	90 Å²	90	84.5 Å²	84.5	39%	0.391	41%	0.407	S	S	.	.	H	α-helix	trans	-65.3	-15	172.9	-171	-172.1	168.3	-151.5	0	113	E449 R452 H503 I505 E510 N511	E449-K507 IonicContact OE2-NZ 3.13Å; E449-K507 PolarHBondContact OE2-NZ 3.46Å; R452-K507 VanDerWaalsContact NH1-CE 3.33Å; R452-K507 PolarHBondContact NH2-O 3.35Å; H503-K507 WeakPolarHBondContact O-CB 3.45Å; H503-K507 PolarHBondContact O-N 3.16Å; I505-K507 PolarHBondContact O-N 2.99Å; K507-E510 WeakPolarHBondContact CA-OE2 3.48Å; K507-N511 WeakPolarHBondContact O-CB 3.43Å; K507-N511 VanDerWaalsContact O-CG 3.25Å; K507-N511 PolarHBondContact O-N 3.09Å; K507-N511 PolarHBondContact O-OD1 2.87Å; K507-N511 VanDerWaalsContact O-OD1 3.04Å
508	R	82	Confident	80.2	Confident	122 Å²	122	89.9 Å²	89.9	46%	0.46	44%	0.436	S	S	.	.	H	α-helix	trans	-86.4	-40.6	174.2	175.9	-178.6	172.1	-163.8	2	110.4	I456 D460 A504 I505 K506 A512	I456-R508 HydrophobicContact CD1-CB 4.45Å; I456-R508 VanDerWaalsContact CG2-NH1 3.26Å; D460-R508 IonicContact OD2-CZ 3.02Å; D460-R508 IonicContact OD2-NH1 3.61Å; D460-R508 PolarHBondContact OD2-NH1 3.3Å; A504-R508 WeakPolarHBondContact O-CB 3.49Å; A504-R508 PolarHBondContact O-N 2.78Å; A504-R508 VanDerWaalsContact O-N 3.09Å; I505-R508 CarbonylContact O-C 3.57Å; I505-R508 WeakPolarHBondContact O-CA 3.41Å; I505-R508 VanDerWaalsContact O-CB 3.31Å; I505-R508 WeakPolarHBondContact O-CB 3.44Å; I505-R508 PolarHBondContact O-N 2.72Å; K506-R508 PolarHBondContact O-N 2.7Å; R508-A512 WeakPolarHBondContact O-CB 3.21Å; R508-A512 PolarHBondContact O-N 3.44Å
509	Q	82.2	Confident	79.1	Confident	117 Å²	117	91.2 Å²	91.2	55%	0.547	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-42.4	174.5	-69.6	172.4	-30.9	0	0	111.3	I505 K506 A512 Q513	I505-Q509 HydrophobicContact CG2-CG 4.19Å; I505-Q509 PolarHBondContact O-N 2.89Å; K506-Q509 PolarHBondContact O-N 3.34Å; Q509-A512 PolarHBondContact O-N 3.26Å; Q509-Q513 WeakPolarHBondContact O-CG 3.32Å; Q509-Q513 PolarHBondContact O-N 3.25Å
510	E	78.1	Confident	77.5	Confident	81 Å²	81	93.4 Å²	93.4	38%	0.379	45%	0.453	S	S	.	.	H	α-helix	trans	-60.8	-47.6	174.4	-71.5	165.5	154.5	0	0	111.4	K506 K507 A512 Q513 T514	K506-E510 IonicContact NZ-OE1 2.7Å; K506-E510 PolarHBondContact NZ-OE1 3.48Å; K506-E510 IonicContact NZ-OE2 2.72Å; K506-E510 WeakPolarHBondContact O-CB 3.45Å; K506-E510 VanDerWaalsContact O-CG 3.3Å; K506-E510 WeakPolarHBondContact O-CG 3.3Å; K506-E510 PolarHBondContact O-N 2.86Å; K507-E510 WeakPolarHBondContact CA-OE2 3.48Å; E510-A512 PolarHBondContact O-N 2.9Å; E510-Q513 PolarHBondContact O-N 3.47Å; E510-T514 PolarHBondContact O-N 3.43Å
511	N	77.7	Confident	76.1	Confident	86 Å²	86	93.5 Å²	93.5	46%	0.46	46%	0.456	S	S	.	.	H	α-helix	trans	-60.5	-43.7	173.6	-78.5	34.3	0	0	0	112.2	K507 Q513 T514 V515	K507-N511 WeakPolarHBondContact O-CB 3.43Å; K507-N511 VanDerWaalsContact O-CG 3.25Å; K507-N511 PolarHBondContact O-N 3.09Å; K507-N511 PolarHBondContact O-OD1 2.87Å; K507-N511 VanDerWaalsContact O-OD1 3.04Å; N511-Q513 PolarHBondContact O-N 3.11Å; N511-T514 WeakPolarHBondContact CA-OG1 3.46Å; N511-T514 PolarHBondContact O-N 3.05Å; N511-T514 PolarHBondContact O-OG1 3.47Å; N511-V515 WeakPolarHBondContact O-CG2 3.38Å; N511-V515 PolarHBondContact O-N 2.91Å
512	A	77.6	Confident	74.6	Confident	46 Å²	46	97.1 Å²	97.1	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-43.6	178.1	0	0	0	0	0	112	R508 Q509 E510 T514 V515 E516	R508-A512 WeakPolarHBondContact O-CB 3.21Å; R508-A512 PolarHBondContact O-N 3.44Å; Q509-A512 PolarHBondContact O-N 3.26Å; E510-A512 PolarHBondContact O-N 2.9Å; A512-T514 VanDerWaalsContact C-N 3.35Å; A512-T514 PolarHBondContact O-N 3.46Å; A512-V515 PolarHBondContact O-N 3.44Å; A512-V515 VanDerWaalsContact O-N 3.11Å; A512-E516 PolarHBondContact O-N 2.72Å
513	Q	74.9	Confident	72.8	Confident	119 Å²	119	95.9 Å²	95.9	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-38.9	175.9	-73.6	173.5	-8.5	0	0	112.3	Q509 E510 N511 V515 E516 Q517	Q509-Q513 WeakPolarHBondContact O-CG 3.32Å; Q509-Q513 PolarHBondContact O-N 3.25Å; E510-Q513 PolarHBondContact O-N 3.47Å; N511-Q513 PolarHBondContact O-N 3.11Å; Q513-V515 VanDerWaalsContact C-N 3.32Å; Q513-V515 PolarHBondContact O-N 3.16Å; Q513-E516 PolarHBondContact O-N 3.06Å; Q513-Q517 WeakPolarHBondContact O-CG 3.38Å; Q513-Q517 PolarHBondContact O-N 2.96Å
514	T	70.1	Confident	71.3	Confident	82 Å²	82	95.3 Å²	95.3	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-65.6	-34	173.5	56.5	0	0	0	0	112.7	E510 N511 A512 N518	E510-T514 PolarHBondContact O-N 3.43Å; N511-T514 WeakPolarHBondContact CA-OG1 3.46Å; N511-T514 PolarHBondContact O-N 3.05Å; N511-T514 PolarHBondContact O-OG1 3.47Å; A512-T514 VanDerWaalsContact C-N 3.35Å; A512-T514 PolarHBondContact O-N 3.46Å; T514-N518 WeakPolarHBondContact O-CB 3.35Å; T514-N518 PolarHBondContact O-N 3.35Å; T514-N518 VanDerWaalsContact O-N 3.09Å
515	V	71.2	Confident	69.7	Low	90 Å²	90	101.5 Å²	101.5	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-71.8	-42.1	175.4	173.8	0	0	0	0	111.3	N511 A512 Q513 Q517 N518 T519	N511-V515 WeakPolarHBondContact O-CG2 3.38Å; N511-V515 PolarHBondContact O-N 2.91Å; A512-V515 PolarHBondContact O-N 3.44Å; A512-V515 VanDerWaalsContact O-N 3.11Å; Q513-V515 VanDerWaalsContact C-N 3.32Å; Q513-V515 PolarHBondContact O-N 3.16Å; V515-Q517 VanDerWaalsContact C-N 3.33Å; V515-Q517 PolarHBondContact O-N 3.46Å; V515-N518 PolarHBondContact O-N 2.87Å; V515-T519 HydrophobicContact CG1-CG2 4.38Å; V515-T519 WeakPolarHBondContact O-CG2 3.48Å; V515-T519 PolarHBondContact O-N 3.19Å; V515-T519 PolarHBondContact O-OG1 3.49Å
516	E	68.6	Low	67.6	Low	115 Å²	115	101.7 Å²	101.7	54%	0.537	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-34.6	175.1	-74.7	-178.3	-176.4	0	0	113.2	A512 Q513 T519 R520	A512-E516 PolarHBondContact O-N 2.72Å; Q513-E516 PolarHBondContact O-N 3.06Å; E516-T519 WeakPolarHBondContact CA-OG1 3.23Å; E516-T519 PolarHBondContact O-OG1 3.21Å; E516-R520 WeakPolarHBondContact O-CB 3.35Å; E516-R520 VanDerWaalsContact O-CG 3.23Å; E516-R520 WeakPolarHBondContact O-CG 3.5Å; E516-R520 PolarHBondContact O-N 3.09Å; E516-R520 VanDerWaalsContact O-N 3.1Å
517	Q	63.1	Low	65.6	Low	136 Å²	136	105.9 Å²	105.9	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-65.1	-46.5	170.8	-76.2	178.6	-16.5	0	0	110.9	Q513 V515 T519 R520 T521	Q513-Q517 WeakPolarHBondContact O-CG 3.38Å; Q513-Q517 PolarHBondContact O-N 2.96Å; V515-Q517 VanDerWaalsContact C-N 3.33Å; V515-Q517 PolarHBondContact O-N 3.46Å; Q517-T519 PolarHBondContact O-N 3.4Å; Q517-R520 PolarHBondContact O-N 3.07Å; Q517-T521 PolarHBondContact O-N 3.3Å; Q517-T521 PolarHBondContact O-OG1 3.27Å
518	N	61.4	Low	63.9	Low	114 Å²	114	109.6 Å²	109.6	61%	0.61	56%	0.555	S	S	*	*	H	α-helix	trans	-67.5	-36.3	-177.7	-139.8	34.1	0	0	0	112.6	T514 V515 T521 V522	T514-N518 WeakPolarHBondContact O-CB 3.35Å; T514-N518 PolarHBondContact O-N 3.35Å; T514-N518 VanDerWaalsContact O-N 3.09Å; V515-N518 PolarHBondContact O-N 2.87Å; N518-T521 WeakPolarHBondContact CA-OG1 3.42Å; N518-T521 PolarHBondContact O-OG1 2.81Å; N518-V522 WeakPolarHBondContact O-CG2 3.37Å; N518-V522 PolarHBondContact O-N 3.1Å
519	T	64.4	Low	61.9	Low	80 Å²	80	110.5 Å²	110.5	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-71.9	-35.7	174.3	55.1	0	0	0	0	112.1	V515 E516 Q517 T521 V522 N523	V515-T519 HydrophobicContact CG1-CG2 4.38Å; V515-T519 WeakPolarHBondContact O-CG2 3.48Å; V515-T519 PolarHBondContact O-N 3.19Å; V515-T519 PolarHBondContact O-OG1 3.49Å; E516-T519 WeakPolarHBondContact CA-OG1 3.23Å; E516-T519 PolarHBondContact O-OG1 3.21Å; Q517-T519 PolarHBondContact O-N 3.4Å; T519-T521 VanDerWaalsContact C-N 3.35Å; T519-T521 PolarHBondContact O-N 2.81Å; T519-V522 PolarHBondContact O-N 2.9Å; T519-N523 WeakPolarHBondContact O-CB 3.38Å; T519-N523 PolarHBondContact O-N 3.47Å
520	R	58.7	Low	60	Low	184 Å²	184	109.2 Å²	109.2	69%	0.694	57%	0.573	S	S	*	*	H	α-helix	trans	-63.2	-36.7	172.7	-78.3	175.4	176.3	-170.7	0.4	112.9	E516 Q517 T524	E516-R520 WeakPolarHBondContact O-CB 3.35Å; E516-R520 VanDerWaalsContact O-CG 3.23Å; E516-R520 WeakPolarHBondContact O-CG 3.5Å; E516-R520 PolarHBondContact O-N 3.09Å; E516-R520 VanDerWaalsContact O-N 3.1Å; Q517-R520 PolarHBondContact O-N 3.07Å; R520-T524 PolarHBondContact O-N 3.28Å; R520-T524 PolarHBondContact O-OG1 3.2Å
521	T	57.5	Low	58.1	Low	71 Å²	71	113.7 Å²	113.7	44%	0.436	59%	0.594	S	S	.	*	H	α-helix	trans	-68.7	-36.4	173.9	42.7	0	0	0	0	112.9	Q517 N518 T519 T524 Q525	Q517-T521 PolarHBondContact O-N 3.3Å; Q517-T521 PolarHBondContact O-OG1 3.27Å; N518-T521 WeakPolarHBondContact CA-OG1 3.42Å; N518-T521 PolarHBondContact O-OG1 2.81Å; T519-T521 VanDerWaalsContact C-N 3.35Å; T519-T521 PolarHBondContact O-N 2.81Å; T521-T524 PolarHBondContact O-OG1 3.47Å; T521-T524 VanDerWaalsContact O-OG1 3.09Å; T521-Q525 WeakPolarHBondContact O-CG 3.48Å; T521-Q525 PolarHBondContact O-N 3.23Å; T521-Q525 PolarHBondContact O-OE1 3.16Å
522	V	58.3	Low	56.7	Low	89 Å²	89	115.2 Å²	115.2	54%	0.539	61%	0.606	S	S	.	*	H	α-helix	trans	-70.5	-43.4	175.3	173	0	0	0	0	111.4	N518 T519 T524 Q525 G526	N518-V522 WeakPolarHBondContact O-CG2 3.37Å; N518-V522 PolarHBondContact O-N 3.1Å; T519-V522 PolarHBondContact O-N 2.9Å; V522-T524 PolarHBondContact O-N 2.69Å; V522-Q525 PolarHBondContact O-N 2.8Å; V522-G526 PolarHBondContact O-N 3.02Å; V522-G526 VanDerWaalsContact O-N 3.16Å
523	N	52.6	Low	55	Low	122 Å²	122	121.2 Å²	121.2	65%	0.652	63%	0.626	S	S	*	*	H	α-helix	trans	-66.4	-24.7	-179.4	-123.2	36.4	0	0	0	113.4	T519	T519-N523 WeakPolarHBondContact O-CB 3.38Å; T519-N523 PolarHBondContact O-N 3.47Å
524	T	55.3	Low	53.5	Low	98 Å²	98	126.3 Å²	126.3	60%	0.601	64%	0.64	S	S	*	*	H	α-helix	trans	-82.6	-13.4	173.5	41.3	0	0	0	0	113.7	R520 T521 V522	R520-T524 PolarHBondContact O-N 3.28Å; R520-T524 PolarHBondContact O-OG1 3.2Å; T521-T524 PolarHBondContact O-OG1 3.47Å; T521-T524 VanDerWaalsContact O-OG1 3.09Å; V522-T524 PolarHBondContact O-N 2.69Å
525	Q	52.9	Low	52.1	Low	134 Å²	134	130.6 Å²	130.6	63%	0.626	66%	0.659	S	S	*	*	H	α-helix	trans	-87.5	-36	172.6	-70.8	167.6	-29.9	0	0	111.8	T521 V522 Y527 K528	T521-Q525 WeakPolarHBondContact O-CG 3.48Å; T521-Q525 PolarHBondContact O-N 3.23Å; T521-Q525 PolarHBondContact O-OE1 3.16Å; V522-Q525 PolarHBondContact O-N 2.8Å; Q525-Y527 VanDerWaalsContact C-N 3.31Å; Q525-Y527 PolarHBondContact O-N 3.25Å; Q525-K528 PolarHBondContact O-N 3.22Å; Q525-K528 VanDerWaalsContact O-N 3.11Å
526	G	43.8	Very low	50.6	Low	46 Å²	46	136.4 Å²	136.4	47%	0.474	68%	0.677	S	S	.	*	H	α-helix	trans	-56.1	-39.7	178.2	0	0	0	0	0	114.2	V522 K528 H529	V522-G526 PolarHBondContact O-N 3.02Å; V522-G526 VanDerWaalsContact O-N 3.16Å; G526-K528 PolarHBondContact O-N 3.44Å; G526-K528 VanDerWaalsContact O-N 3.12Å; G526-H529 PolarHBondContact O-N 3.17Å
527	Y	45.7	Very low	48.8	Very low	202 Å²	202	138.3 Å²	138.3	79%	0.792	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-11.9	179	-91.8	-82.1	0	0	0	115.3	Q525	Q525-Y527 VanDerWaalsContact C-N 3.31Å; Q525-Y527 PolarHBondContact O-N 3.25Å
528	K	46.9	Very low	47.2	Very low	168 Å²	168	136.6 Å²	136.6	73%	0.73	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-6.6	178.9	-66.4	-167.4	175.2	-169.5	0	114.4	Q525 G526	Q525-K528 PolarHBondContact O-N 3.22Å; Q525-K528 VanDerWaalsContact O-N 3.11Å; G526-K528 PolarHBondContact O-N 3.44Å; G526-K528 VanDerWaalsContact O-N 3.12Å
529	H	39.7	Very low	45.9	Very low	141 Å²	141	136.1 Å²	136.1	65%	0.653	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-11	-174.8	-148.1	-63.7	0	0	0	113.7	G526	G526-H529 PolarHBondContact O-N 3.17Å
530	A	41.9	Very low	44.6	Very low	89 Å²	89	140.1 Å²	140.1	74%	0.736	71%	0.713	S	S	*	*	S	Bend	trans	-80.3	-18.6	-179.8	0	0	0	0	0	114.3
531	E	37.1	Very low	43.5	Very low	175 Å²	175	138 Å²	138	82%	0.818	71%	0.711	S	S	*	*	S	Bend	trans	-92.6	-20.3	-173.7	-165.3	171.7	-173.8	0	0	113.2
532	V	49.1	Very low	42.2	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.715	73%	0.726	S	S	*	*	S	Bend	trans	-86.9	-18.5	-169.7	-172.6	0	0	0	0	113.1
533	E	40.9	Very low	40.8	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	73%	0.734	S	S	*	*	S	Bend	trans	-102.9	38	-171.4	-155.6	175.3	-132.2	0	0	113.7
534	R	44	Very low	39.9	Very low	227 Å²	227	142.2 Å²	142.2	86%	0.857	74%	0.735	S	S	*	*	S	Bend	trans	-141	1.7	177.6	-129.1	-176.5	-173.2	93.2	2.6	118
535	L	41.3	Very low	39.1	Very low	171 Å²	171	142.2 Å²	142.2	90%	0.895	74%	0.739	S	S	*	*			trans	-132.1	74.3	177.2	-71.6	173.5	0	0	0	111
536	K	39.1	Very low	38.2	Very low	212 Å²	212	146 Å²	146	92%	0.922	75%	0.747	S	S	*	*			trans	-138.8	63.9	163.2	-163.5	-179.2	178.4	179	0	111.1
537	D	31.9	Very low	37.5	Very low	155 Å²	155	149.5 Å²	149.5	83%	0.829	76%	0.755	S	S	*	*			trans	-145	167.4	162.9	-162	3.1	0	0	0	108.1
538	S	28.8	Very low	36.9	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	75%	0.75	S	S	*	*			trans	73.6	71.4	-179.5	-54.7	0	0	0	0	117.8
539	S	34.2	Very low	36.1	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	75%	0.754	S	S	*	*				45.1	129.4	118.7	67.7	0	0	0	0	124.2
540	H	37	Very low	35.5	Very low	165 Å²	165	144 Å²	144	76%	0.764	75%	0.751	S	S	*	*			trans	87.3	154.9	130.1	-99.6	-96.9	0	0	0	124.3
541	Q	35.9	Very low	35	Very low	140 Å²	140	144.8 Å²	144.8	65%	0.654	75%	0.752	S	S	*	*			trans	65.1	126.1	-178.5	-87.4	34.5	73.6	0	0	115.6
542	D	30.1	Very low	34.5	Very low	141 Å²	141	142.9 Å²	142.9	75%	0.754	75%	0.747	S	S	*	*				67.7	139.4	66.8	-74.6	-35	0	0	0	112.9
543	D	28.4	Very low	33.6	Very low	133 Å²	133	146.1 Å²	146.1	71%	0.711	75%	0.747	S	S	*	*			cis	-153	170.3	16.5	175.7	37.4	0	0	0	111.4
544	S	34.9	Very low	33.1	Very low	96 Å²	96	145.2 Å²	145.2	67%	0.671	74%	0.742	S	S	*	*			trans	37.4	165.3	150.7	64.8	0	0	0	0	123.7
545	S	36.7	Very low	32.7	Very low	97 Å²	97	143.2 Å²	143.2	68%	0.678	74%	0.743	S	S	*	*			cis	-172.5	153.9	-34.9	-176.5	0	0	0	0	109.9
546	R	33.9	Very low	32.6	Very low	213 Å²	213	141.3 Å²	141.3	80%	0.804	74%	0.74	S	S	*	*			trans	66	140.2	152	-88.4	179.9	131.9	118.2	3.4	123.8
547	D	29.8	Very low	32.2	Very low	120 Å²	120	137.3 Å²	137.3	64%	0.642	74%	0.739	S	S	*	*			trans	59.9	155.8	136.1	-68.3	-45.1	0	0	0	121.3
548	S	33.3	Very low	32.1	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	73%	0.734	S	S	*	*			cis	-166.7	150.9	-33.7	-104.3	0	0	0	0	110.6
549	Y	30.6	Very low	32.2	Very low	209 Å²	209	139 Å²	139	82%	0.82	74%	0.74	S	S	*	*			trans	44.3	110.7	150	-174.2	-101.9	0	0	0	122.8
550	C	26.6	Very low	31.9	Very low	88 Å²	88	143.4 Å²	143.4	60%	0.595	74%	0.742	S	S	*	*			trans	67.9	129.5	137.9	-89.3	0	0	0	0	126
551	S	31.8	Very low	31.5	Very low	107 Å²	107	139.8 Å²	139.8	75%	0.748	74%	0.736	S	S	*	*				85.2	117.8	122.5	-66.8	0	0	0	0	124.4
552	D	27.2	Very low	31.1	Very low	134 Å²	134	140.2 Å²	140.2	72%	0.717	74%	0.737	S	S	*	*			trans	86.6	129.2	134.3	-145.9	9.7	0	0	0	121.7
553	R	29.7	Very low	31	Very low	186 Å²	186	137.8 Å²	137.8	70%	0.702	73%	0.732	S	S	*	*			trans	83.4	141.8	141.9	-108.2	162.8	-159.5	-117.1	5.1	124.6
554	H	29.4	Very low	31	Very low	154 Å²	154	137 Å²	137	71%	0.713	74%	0.737	S	S	*	*			trans	80.3	124.1	158.4	-63.8	-63.6	0	0	0	121.1
555	Q	36.2	Very low	30.8	Very low	185 Å²	185	137.6 Å²	137.6	86%	0.864	74%	0.741	S	S	*	*			trans	-80.4	156.9	151.7	-71	-176.2	-24.4	0	0	110.5
556	P	39.8	Very low	30.5	Very low	131 Å²	131	139.9 Å²	139.9	85%	0.851	75%	0.745	S	S	*	*			trans	-129	-173.7	131.6	37.5	-28	0	0	0	112.6
557	S	30.3	Very low	30.3	Very low	127 Å²	127	137.3 Å²	137.3	89%	0.888	74%	0.74	S	S	*	*			trans	-144.4	157.9	-166.3	60.1	0	0	0	0	115.3
558	G	29.1	Very low	30.4	Very low	70 Å²	70	137.3 Å²	137.3	72%	0.722	74%	0.74	S	S	*	*			trans	118.6	160.5	167.8	0	0	0	0	0	115.1
559	R	31.9	Very low	30.2	Very low	220 Å²	220	144 Å²	144	83%	0.83	75%	0.75	S	S	*	*			cis	-168.6	179.9	-6	-122	-175	-170.4	-118	4.6	110.4
560	Y	27.2	Very low	30.3	Very low	198 Å²	198	143 Å²	143	78%	0.776	75%	0.753	S	S	*	*			trans	74.8	141.6	173.6	-65.6	-89.5	0	0	0	116.5
561	S	28.7	Very low	30.4	Very low	89 Å²	89	142.1 Å²	142.1	62%	0.622	76%	0.758	S	S	*	*			cis	-173.7	-172.4	-21.2	-106.7	0	0	0	0	107.8
562	E	26.9	Very low	30.5	Very low	148 Å²	148	142.3 Å²	142.3	69%	0.692	76%	0.759	S	S	*	*			cis	-159.8	-178.2	10	-153.4	26.2	82.4	0	0	112.4
563	S	29.1	Very low	30.8	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	76%	0.757	S	S	*	*			trans	94	101.2	147	-61.3	0	0	0	0	122.3
564	S	28	Very low	31	Very low	116 Å²	116	142.2 Å²	142.2	81%	0.811	76%	0.756	S	S	*	*				89.6	136.6	118.1	-62.6	0	0	0	0	124.4
565	S	30.8	Very low	31.3	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	75%	0.748	S	S	*	*			trans	95.1	99.7	146.9	-164.3	0	0	0	0	121.5
566	N	30	Very low	31	Very low	146 Å²	146	140.3 Å²	140.3	78%	0.781	75%	0.745	S	S	*	*				34.8	151	120.8	-72.5	-24.8	0	0	0	122.1
567	K	30.7	Very low	30.7	Very low	159 Å²	159	141.8 Å²	141.8	69%	0.691	74%	0.738	S	S	*	*			cis	179.3	149.6	-10.7	176.5	163.6	-178.6	171.2	0	109.7
568	D	30.4	Very low	30.8	Very low	120 Å²	120	141.4 Å²	141.4	64%	0.642	73%	0.73	S	S	*	*			trans	24.4	132	162.7	-44.6	-22.4	0	0	0	122.6
569	R	29.9	Very low	30.7	Very low	238 Å²	238	142.8 Å²	142.8	90%	0.898	73%	0.729	S	S	*	*				-177.8	164.1	96.9	-96.5	177.5	179.8	172.3	0.3	115.5
570	H	32.6	Very low	30.9	Very low	189 Å²	189	138.8 Å²	138.8	88%	0.875	73%	0.728	S	S	*	*			trans	-74.8	170.5	-178.6	-52.1	-95.5	0	0	0	112.9
571	G	29.2	Very low	31.3	Very low	68 Å²	68	135.9 Å²	135.9	70%	0.701	73%	0.731	S	S	*	*			cis	-174.2	-151.4	8.1	0	0	0	0	0	109.4
572	S	33.2	Very low	31.5	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	72%	0.723	S	S	*	*			cis	171.7	138.5	-16.4	40.4	0	0	0	0	109.2
573	E	33	Very low	31.7	Very low	144 Å²	144	134.4 Å²	134.4	67%	0.673	73%	0.73	S	S	*	*			cis	-157.5	-12.7	-10.4	109.7	-87.4	164.5	0	0	117.1
574	Y	34.3	Very low	32	Very low	175 Å²	175	139.5 Å²	139.5	69%	0.686	74%	0.736	S	S	*	*				-146.7	157.3	-124.5	-73.1	-63.7	0	0	0	116.6
575	H	35.4	Very low	32.3	Very low	115 Å²	115	143.7 Å²	143.7	53%	0.532	74%	0.739	S	S	.	*			cis	-163.9	-177.9	-11.2	-172.7	64.7	0	0	0	111.3	K577	H575-K577 WeakPolarHBondContact NE2-CD 3.11Å; H575-K577 WeakPolarHBondContact NE2-CE 3.32Å; H575-K577 PolarHBondContact NE2-NZ 2.82Å
576	K	29.9	Very low	32.4	Very low	184 Å²	184	150 Å²	150	80%	0.8	75%	0.747	S	S	*	*			trans	85.2	106.6	176.4	-58.7	-175.4	-179.2	176.7	0	114.9
577	K	34.6	Very low	33.1	Very low	162 Å²	162	148.7 Å²	148.7	70%	0.704	75%	0.746	S	S	*	*				79.2	138.3	57.1	-72	-179.4	166.6	161.2	0	112.2	H575	H575-K577 WeakPolarHBondContact NE2-CD 3.11Å; H575-K577 WeakPolarHBondContact NE2-CE 3.32Å; H575-K577 PolarHBondContact NE2-NZ 2.82Å
578	T	31	Very low	32.9	Very low	119 Å²	119	151.3 Å²	151.3	73%	0.73	75%	0.753	S	S	*	*			cis	-157.5	171.3	-1.1	12.1	0	0	0	0	107
579	S	28.8	Very low	32.9	Very low	99 Å²	99	150 Å²	150	69%	0.692	75%	0.753	S	S	*	*			cis	-164.7	141.4	36.8	-17.8	0	0	0	0	108.9
580	V	35.5	Very low	33.1	Very low	135 Å²	135	143 Å²	143	82%	0.818	74%	0.741	S	S	*	*				66.4	124.6	89.9	176.8	0	0	0	0	113.2
581	V	34.3	Very low	32.8	Very low	137 Å²	137	143 Å²	143	83%	0.83	74%	0.739	S	S	*	*			cis	-141.2	-178	20.3	77.7	0	0	0	0	113.5
582	D	32.9	Very low	32.7	Very low	85 Å²	85	144.4 Å²	144.4	46%	0.455	74%	0.737	S	S	.	*			trans	-119.9	156.1	174.8	162.9	54.1	0	0	0	112.2	R584	D582-R584 IonicContact OD1-NE 3.17Å; D582-R584 IonicContact OD2-CZ 3.81Å; D582-R584 IonicContact OD2-NE 3.82Å; D582-R584 PolarHBondContact OD2-NE 3.28Å; D582-R584 IonicContact OD2-NH2 2.72Å; D582-R584 PolarHBondContact OD2-NH2 3.12Å
583	S	31.5	Very low	32.5	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	74%	0.739	S	S	*	*			trans	-159.4	102.2	162.3	-83.5	0	0	0	0	113.5
584	R	36.3	Very low	32.3	Very low	199 Å²	199	142.7 Å²	142.7	75%	0.751	74%	0.74	S	S	*	*			trans	-91.8	146.7	173.5	-67.2	160.3	-89.7	176	-7.2	111.8	D582	D582-R584 IonicContact OD1-NE 3.17Å; D582-R584 IonicContact OD2-CZ 3.81Å; D582-R584 IonicContact OD2-NE 3.82Å; D582-R584 PolarHBondContact OD2-NE 3.28Å; D582-R584 IonicContact OD2-NH2 2.72Å; D582-R584 PolarHBondContact OD2-NH2 3.12Å
585	K	34.2	Very low	32.1	Very low	204 Å²	204	143.3 Å²	143.3	89%	0.887	75%	0.746	S	S	*	*				175.1	137	122.2	-98.5	164.1	-176.6	176.8	0	117.1
586	R	32.5	Very low	32	Very low	241 Å²	241	145.6 Å²	145.6	91%	0.909	76%	0.762	S	S	*	*			trans	56.9	143.7	152.5	-91.6	-169.2	167	171.3	-3.6	121.9
587	P	45	Very low	32.4	Very low	118 Å²	118	144.3 Å²	144.3	77%	0.766	76%	0.759	S	S	*	*			trans	-95.1	170.8	169.2	39.9	-34.9	0	0	0	112.8
588	Y	26.8	Very low	32.5	Very low	213 Å²	213	148.5 Å²	148.5	84%	0.835	77%	0.771	S	S	*	*			trans	-139.9	154.6	162.2	-159	-91.9	0	0	0	110.2
589	S	31	Very low	32.5	Very low	92 Å²	92	147.9 Å²	147.9	64%	0.643	76%	0.763	S	S	*	*			trans	-146.8	149.8	-176.1	60.4	0	0	0	0	112.6
590	S	32.1	Very low	33.1	Very low	93 Å²	93	152.9 Å²	152.9	65%	0.65	78%	0.775	S	S	*	*			trans	69.7	133.9	175.6	-50.1	0	0	0	0	113.5
591	F	27	Very low	32.9	Very low	189 Å²	189	155 Å²	155	83%	0.829	77%	0.769	S	S	*	*				-135.4	152.4	52.3	-84.9	-97.5	0	0	0	111.1
592	S	27.5	Very low	32.9	Very low	96 Å²	96	157 Å²	157	67%	0.671	77%	0.767	S	S	*	*				65.2	139.1	74	-138	0	0	0	0	113.2
593	N	29	Very low	32.8	Very low	152 Å²	152	157 Å²	157	81%	0.813	78%	0.779	S	S	*	*			cis	-157.1	-176.9	9.8	-154.4	-6.4	0	0	0	111.1
594	G	29.2	Very low	32.8	Very low	67 Å²	67	157.2 Å²	157.2	69%	0.691	77%	0.77	S	S	*	*			trans	102.1	98.8	167.8	0	0	0	0	0	113.4
595	K	30.6	Very low	32.5	Very low	188 Å²	188	157 Å²	157	82%	0.817	77%	0.77	S	S	*	*			cis	75.6	98.6	35.9	-164.5	179.2	-179.6	175.8	0	113.9
596	D	33.1	Very low	32.4	Very low	163 Å²	163	157.2 Å²	157.2	87%	0.872	77%	0.766	S	S	*	*				-144.8	137.4	128.5	-114.1	-24.5	0	0	0	110.2
597	H	38.2	Very low	32.2	Very low	158 Å²	158	155.4 Å²	155.4	73%	0.731	76%	0.761	S	S	*	*			trans	-129.5	132.9	176.2	-124.6	-81.7	0	0	0	106.1	D599	H597-D599 IonicContact ND1-OD1 3.81Å
598	R	36.4	Very low	31.3	Very low	250 Å²	250	155.3 Å²	155.3	94%	0.943	75%	0.754	S	S	*	*			trans	-138.3	117.7	165.1	-156.2	174.6	-166.4	176.6	5.1	109.9
599	D	31.7	Very low	31.4	Very low	105 Å²	105	151 Å²	151	56%	0.561	75%	0.745	S	S	*	*			trans	-86.9	144.6	-166	-49.6	-85.7	0	0	0	112.7	H597	H597-D599 IonicContact ND1-OD1 3.81Å
600	H	40.3	Very low	31.2	Very low	204 Å²	204	150.9 Å²	150.9	94%	0.944	74%	0.737	S	S	*	*			trans	-119.9	136.6	141.2	-87.5	-44.1	0	0	0	108
601	Y	32.2	Very low	31.1	Very low	181 Å²	181	154.6 Å²	154.6	71%	0.71	74%	0.742	S	S	*	*			trans	-132.7	137.1	-149.5	-165.8	-106.6	0	0	0	110.7
602	K	34.5	Very low	31.2	Very low	179 Å²	179	152.3 Å²	152.3	78%	0.778	73%	0.733	S	S	*	*			trans	66.7	147.4	172.5	-81.5	178.8	177.3	176.4	0	116.4
603	A	30.4	Very low	31.2	Very low	85 Å²	85	158.3 Å²	158.3	70%	0.702	74%	0.741	S	S	*	*			cis	-158.8	176.4	-13.8	0	0	0	0	0	108.5
604	D	30.4	Very low	31.1	Very low	125 Å²	125	160.5 Å²	160.5	67%	0.668	74%	0.744	S	S	*	*			cis	-159.6	173.4	7.6	-152.9	-1	0	0	0	112.5
605	R	30.6	Very low	31.2	Very low	195 Å²	195	164 Å²	164	74%	0.736	75%	0.746	S	S	*	*			trans	81.9	102.4	150.4	-74.2	165.4	-158	-152.9	0.9	123.1
606	Y	31.1	Very low	31.1	Very low	207 Å²	207	162.6 Å²	162.6	81%	0.812	74%	0.742	S	S	*	*			trans	63.2	118.6	145.8	-59.5	-77.2	0	0	0	120
607	Y	28.7	Very low	30.8	Very low	203 Å²	203	161.5 Å²	161.5	80%	0.796	73%	0.732	S	S	*	*				66.5	138	56	-85.7	-118.2	0	0	0	114.6
608	N	27.7	Very low	30.5	Very low	117 Å²	117	161.3 Å²	161.3	63%	0.626	73%	0.729	S	S	*	*			cis	-157.2	138	-8.7	-134.4	21.2	0	0	0	107.8
609	D	27.7	Very low	30.1	Very low	122 Å²	122	159.4 Å²	159.4	65%	0.652	72%	0.722	S	S	*	*				71.1	143.2	84	-160.8	26.6	0	0	0	118.4
610	N	26.4	Very low	29.8	Very low	89 Å²	89	159.9 Å²	159.9	48%	0.476	73%	0.729	S	S	.	*			trans	78.6	113.8	160.1	-75.5	-45.6	0	0	0	124.3
611	K	30.7	Very low	29.1	Very low	171 Å²	171	157.3 Å²	157.3	74%	0.743	72%	0.722	S	S	*	*				57.5	156.3	121.6	-60.3	171.1	-175.1	126.6	0	118.5
612	H	27.9	Very low	29	Very low	142 Å²	142	159.8 Å²	159.8	66%	0.657	73%	0.73	S	S	*	*			cis	-166.7	143.7	19	-141.5	-47.5	0	0	0	111.8
613	R	29.4	Very low	28.6	Very low	221 Å²	221	158.1 Å²	158.1	83%	0.834	73%	0.73	S	S	*	*			trans	60.2	169.2	163.7	-79	164.2	171.7	167.3	-3.6	115.1
614	K	26.9	Very low	28.5	Very low	199 Å²	199	163 Å²	163	87%	0.865	74%	0.738	S	S	*	*			cis	-140.3	-179.8	-1.8	-146.4	-175.2	177.3	-171.1	0	109.8
615	L	29.7	Very low	28.3	Very low	141 Å²	141	167.3 Å²	167.3	74%	0.738	75%	0.745	S	S	*	*			trans	-92.8	142.9	173.5	-177.4	78.2	0	0	0	110.7
616	E	28.4	Very low	28.2	Very low	157 Å²	157	167 Å²	167	73%	0.734	75%	0.752	S	S	*	*			trans	-173	175.7	138.8	-103.1	-47.7	126.2	0	0	111.8
617	E	28	Very low	27.9	Very low	140 Å²	140	165 Å²	165	65%	0.654	75%	0.75	S	S	*	*			trans	-97.8	169.7	-155	-63.2	-168.8	129.6	0	0	119.7
618	F	30.4	Very low	28.1	Very low	154 Å²	154	162.5 Å²	162.5	68%	0.675	76%	0.755	S	S	*	*			trans	81.9	120	151.2	-73.9	-58.6	0	0	0	124.1
619	R	28.2	Very low	28.1	Very low	211 Å²	211	165.8 Å²	165.8	80%	0.796	76%	0.764	S	S	*	*			trans	91.1	141.3	132.9	-73	170.9	-169.5	-172.1	4.3	122.1
620	T	27	Very low	28.1	Very low	115 Å²	115	169 Å²	169	71%	0.706	78%	0.775	S	S	*	*			trans	70.4	121.2	152.7	39.7	0	0	0	0	121.3
621	N	25.4	Very low	28.3	Very low	150 Å²	150	171.8 Å²	171.8	80%	0.802	79%	0.789	S	S	*	*				39.4	118.1	128.9	-49.4	-1.8	0	0	0	119.1
622	R	28.6	Very low	28.2	Very low	232 Å²	232	169.4 Å²	169.4	88%	0.875	79%	0.794	S	S	*	*				-152.6	146.4	112.6	-152.3	164.3	-178.4	168.8	-2.1	112.9
623	D	27.6	Very low	28.1	Very low	145 Å²	145	170.8 Å²	170.8	78%	0.775	80%	0.8	S	S	*	*			trans	-60.4	145.4	174.2	-47.4	-92.6	0	0	0	111.8	R625	D623-R625 PolarHBondContact O-N 3.11Å
624	H	27.9	Very low	28	Very low	187 Å²	187	165.3 Å²	165.3	87%	0.866	80%	0.796	S	S	*	*			trans	-87.6	99.9	163.4	-82.3	32.5	0	0	0	109.2	Q626	H624-Q626 PolarHBondContact O-N 3.29Å
625	R	26	Very low	28.1	Very low	216 Å²	216	162.6 Å²	162.6	82%	0.815	79%	0.79	S	S	*	*			trans	-57.2	121.3	157.4	178.6	-178	-177	-162.9	-0.1	107.3	D623	D623-R625 PolarHBondContact O-N 3.11Å
626	Q	28.2	Very low	28	Very low	189 Å²	189	167 Å²	167	88%	0.883	80%	0.799	S	S	*	*			trans	-67.6	138.5	166.7	-72	174.2	-43.5	0	0	108.8	H624	H624-Q626 PolarHBondContact O-N 3.29Å
627	E	26.1	Very low	28.1	Very low	165 Å²	165	170.6 Å²	170.6	77%	0.771	81%	0.806	S	S	*	*			trans	-125.7	124.2	164.5	-172.4	151	-128.4	0	0	107.6
628	V	31.3	Very low	28	Very low	150 Å²	150	169 Å²	169	91%	0.909	81%	0.81	S	S	*	*			trans	-78.9	151.8	176.5	-103.7	0	0	0	0	109.8
629	K	28.9	Very low	28	Very low	186 Å²	186	166 Å²	166	81%	0.809	81%	0.808	S	S	*	*			trans	-126	107.4	-174	178.2	-166.2	177.4	-173	0	109.8
630	E	27.5	Very low	28	Very low	189 Å²	189	166.6 Å²	166.6	88%	0.883	81%	0.812	S	S	*	*			trans	-141.7	162.6	164.8	-84.8	-89.1	101.9	0	0	108.1
631	L	29.9	Very low	28.1	Very low	147 Å²	147	172.5 Å²	172.5	77%	0.77	82%	0.821	S	S	*	*			trans	-116.4	147.6	-167.7	-75.7	61.9	0	0	0	111.4
632	S	27.9	Very low	28.3	Very low	121 Å²	121	175.1 Å²	175.1	85%	0.846	82%	0.821	S	S	*	*				-167.4	161.8	124.6	-157.4	0	0	0	0	112.5
633	H	27.3	Very low	28.3	Very low	172 Å²	172	171 Å²	171	80%	0.796	81%	0.812	S	S	*	*			trans	-102.3	146.3	172	-87.1	-115.7	0	0	0	111.1
634	S	26.9	Very low	28.3	Very low	106 Å²	106	168.2 Å²	168.2	74%	0.741	80%	0.804	S	S	*	*				173.7	112.1	115.8	41.9	0	0	0	0	113.5
635	D	29	Very low	28.4	Very low	141 Å²	141	166.9 Å²	166.9	75%	0.754	80%	0.803	S	S	*	*			trans	51.8	157.8	132.1	-56.9	-54.1	0	0	0	125.8
636	Y	28.5	Very low	28.5	Very low	234 Å²	234	168.1 Å²	168.1	92%	0.918	81%	0.808	S	S	*	*			trans	86.3	136.4	166.5	-89.6	-85.7	0	0	0	121.9
637	R	28.6	Very low	28.7	Very low	233 Å²	233	167.9 Å²	167.9	88%	0.879	81%	0.807	S	S	*	*			trans	-95	155.4	-179.9	-55.8	170.1	166.2	-169.2	-3.3	110.2
638	S	26	Very low	28.9	Very low	105 Å²	105	165.6 Å²	165.6	73%	0.734	80%	0.804	S	S	*	*				179.6	143.9	98	-157.3	0	0	0	0	116
639	S	30.2	Very low	28.9	Very low	91 Å²	91	164.8 Å²	164.8	64%	0.636	80%	0.795	S	S	*	*			trans	27.4	117.8	147.3	60.7	0	0	0	0	123.7
640	Y	29.2	Very low	29	Very low	224 Å²	224	162.3 Å²	162.3	88%	0.878	79%	0.786	S	S	*	*				27.2	121.8	122.8	-72.2	-90	0	0	0	120.6
641	R	29.5	Very low	29	Very low	240 Å²	240	163.9 Å²	163.9	91%	0.906	78%	0.784	S	S	*	*				178.6	134.3	97.3	-93.8	-173.5	-170.8	-164.3	2.9	114.7
642	Y	28.7	Very low	29	Very low	204 Å²	204	161 Å²	161	80%	0.8	78%	0.781	S	S	*	*			trans	34.3	124.8	141.8	-97	-137.2	0	0	0	124.4
643	H	30	Very low	29.2	Very low	145 Å²	145	161 Å²	161	67%	0.671	78%	0.781	S	S	*	*			trans	63.7	108.5	135	-78.4	-42.8	0	0	0	124
644	S	27.4	Very low	29.3	Very low	88 Å²	88	157 Å²	157	62%	0.615	78%	0.777	S	S	*	*				100.8	153.3	108.2	-68.6	0	0	0	0	122.3
645	D	29.4	Very low	29.5	Very low	158 Å²	158	158 Å²	158	85%	0.845	79%	0.785	S	S	*	*			trans	73.9	117.6	158.6	-53.9	-29.8	0	0	0	121.3
646	W	27.6	Very low	29.5	Very low	243 Å²	243	154 Å²	154	92%	0.92	78%	0.777	S	S	*	*			trans	-105.8	133.3	167.1	-70.9	50.6	0	0	0	109.2
647	Q	32.7	Very low	29.6	Very low	184 Å²	184	149.6 Å²	149.6	86%	0.86	77%	0.774	S	S	*	*			trans	-170.6	136	137.1	-118.1	155.2	105	0	0	117.8
648	T	30	Very low	29.6	Very low	116 Å²	116	149.8 Å²	149.8	71%	0.712	78%	0.775	S	S	*	*			trans	58.6	107.6	143.2	31.3	0	0	0	0	124
649	D	31.9	Very low	30.1	Very low	133 Å²	133	150 Å²	150	71%	0.711	78%	0.777	S	S	*	*				119.3	145.6	95.6	-139.4	13.5	0	0	0	122.1
650	Q	30.1	Very low	31	Very low	135 Å²	135	151.8 Å²	151.8	63%	0.631	79%	0.786	S	S	*	*			trans	68.4	130.1	157.2	-51	-137	14.4	0	0	126.9
651	R	27.7	Very low	31.1	Very low	222 Å²	222	151.2 Å²	151.2	84%	0.838	78%	0.782	S	S	*	*			trans	80.1	92.1	134.3	-83.4	-179.7	165.6	179.8	-2.8	123.9
652	A	29.9	Very low	31.3	Very low	86 Å²	86	145 Å²	145	71%	0.711	77%	0.768	S	S	*	*				68.1	144.6	102.3	0	0	0	0	0	124.6
653	S	32.6	Very low	31.5	Very low	122 Å²	122	141.1 Å²	141.1	85%	0.853	76%	0.757	S	S	*	*			trans	85.9	148.6	163.6	-25.9	0	0	0	0	116
654	A	30	Very low	31.4	Very low	86 Å²	86	143.4 Å²	143.4	71%	0.711	76%	0.759	S	S	*	*			cis	-159.1	167.6	6.3	0	0	0	0	0	113.2
655	S	30.2	Very low	31.9	Very low	129 Å²	129	144.5 Å²	144.5	90%	0.902	77%	0.767	S	S	*	*			trans	63.7	157.3	160	69.8	0	0	0	0	119.5
656	G	28.3	Very low	33.2	Very low	57 Å²	57	142.2 Å²	142.2	59%	0.588	76%	0.761	S	S	*	*			cis	156.6	156.4	-10.8	0	0	0	0	0	114.1
657	T	31.2	Very low	33.3	Very low	140 Å²	140	135.5 Å²	135.5	86%	0.859	75%	0.75	S	S	*	*			trans	69.8	157.9	175.6	80	0	0	0	0	116.6
658	R	29.5	Very low	33.1	Very low	237 Å²	237	134.3 Å²	134.3	89%	0.894	74%	0.744	S	S	*	*			cis	-161.5	154.6	-24.7	-112.3	-179.2	177.1	-164.3	-0.4	108.2
659	S	36.4	Very low	33.2	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	74%	0.735	S	S	*	*			trans	-101	166.6	163.2	-53.2	0	0	0	0	111.2
660	P	48.3	Very low	33	Very low	128 Å²	128	134.5 Å²	134.5	83%	0.831	74%	0.74	S	S	*	*				-140.9	-175.2	102.9	39.3	-25.7	0	0	0	114.9
661	R	30.6	Very low	33	Very low	211 Å²	211	133.2 Å²	133.2	80%	0.796	75%	0.747	S	S	*	*			trans	-87.3	-170.9	179.4	-53.2	157.8	132.8	-115.1	5.9	110.7
662	D	35.2	Very low	34.3	Very low	111 Å²	111	127.2 Å²	127.2	59%	0.594	74%	0.736	S	S	*	*			cis	-164.8	-154.9	16.5	-134.5	-31.3	0	0	0	108.3
663	E	32	Very low	34.3	Very low	122 Å²	122	132 Å²	132	57%	0.57	74%	0.741	S	S	*	*			cis	-150.6	152.3	4.3	-107.2	-139.3	128.1	0	0	109.9
664	R	29.1	Very low	34.4	Very low	192 Å²	192	132.2 Å²	132.2	73%	0.725	73%	0.733	S	S	*	*			trans	60.2	125.2	150.6	-61.5	177.7	-167	-164.7	16	121
665	S	37.1	Very low	34.4	Very low	112 Å²	112	138 Å²	138	78%	0.783	74%	0.738	S	S	*	*				65.8	153.5	50.4	-49.8	0	0	0	0	113.9
666	P	55.8	Low	34.4	Very low	110 Å²	110	136 Å²	136	71%	0.714	72%	0.724	S	S	*	*			cis	-146.3	-169.8	24.4	43.8	-23.1	0	0	0	118.5
667	C	31.1	Very low	34.6	Very low	101 Å²	101	137.8 Å²	137.8	68%	0.682	73%	0.727	S	S	*	*			trans	80.4	131.4	158.1	-64.9	0	0	0	0	118.9
668	E	27.8	Very low	34.6	Very low	159 Å²	159	136.3 Å²	136.3	74%	0.743	71%	0.714	S	S	*	*			cis	-173.1	176.3	-6.6	-125.4	-174.8	91.9	0	0	109.8
669	S	32.1	Very low	34.9	Very low	74 Å²	74	133.6 Å²	133.6	52%	0.517	71%	0.711	S	S	.	*			cis	-158.8	175.7	-0.9	-150.1	0	0	0	0	114
670	H	28.4	Very low	34.7	Very low	179 Å²	179	136.6 Å²	136.6	83%	0.829	71%	0.71	S	S	*	*			trans	58.7	136.2	155.9	-75.9	-64.5	0	0	0	125.2
671	S	30.7	Very low	33.9	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	71%	0.706	S	S	*	*			trans	-124.5	-147.3	174.6	-149.4	0	0	0	0	106.8
672	P	54.4	Low	34.3	Very low	95 Å²	95	131.8 Å²	131.8	62%	0.617	71%	0.707	S	S	*	*			cis	-126.7	173.5	-19.9	17.6	10	0	0	0	112.4
673	F	30	Very low	34.5	Very low	188 Å²	188	132.5 Å²	132.5	83%	0.825	72%	0.717	S	S	*	*				167.4	178.6	81.8	-102.4	-88.1	0	0	0	106.8
674	D	33.3	Very low	34.6	Very low	125 Å²	125	135.1 Å²	135.1	67%	0.668	73%	0.729	S	S	*	*				-164.5	163.3	-64.6	-159.9	-11.1	0	0	0	109
675	Y	30.1	Very low	34.7	Very low	207 Å²	207	133.7 Å²	133.7	81%	0.812	73%	0.731	S	S	*	*			trans	65.3	164.7	166	-110.3	-121.4	0	0	0	120.2
676	S	30.7	Very low	34.3	Very low	88 Å²	88	134.8 Å²	134.8	62%	0.615	73%	0.728	S	S	*	*			cis	179.2	163	-49.1	-162.7	0	0	0	0	107
677	S	32.7	Very low	33.2	Very low	94 Å²	94	142 Å²	142	66%	0.657	74%	0.741	S	S	*	*			cis	-135.5	-158.6	3.4	-54.6	0	0	0	0	108.1
678	D	32.3	Very low	33.4	Very low	109 Å²	109	142.3 Å²	142.3	58%	0.583	75%	0.745	S	S	*	*			cis	-152.6	-171.3	-0.8	-157.2	-93.6	0	0	0	108.1	K680	D678-K680 WeakPolarHBondContact OD1-CD 3.29Å; D678-K680 IonicContact OD1-NZ 2.77Å; D678-K680 PolarHBondContact OD1-NZ 2.78Å; D678-K680 IonicContact OD2-NZ 3.8Å
679	H	35.3	Very low	33.5	Very low	181 Å²	181	139.7 Å²	139.7	84%	0.838	74%	0.744	S	S	*	*			trans	-145.6	121.1	174.1	-100.4	-78.9	0	0	0	110.4
680	K	32.7	Very low	33.6	Very low	173 Å²	173	147.6 Å²	147.6	75%	0.752	76%	0.763	S	S	*	*			trans	-164.8	142.4	167.2	-90.5	120.2	-163.2	163.1	0	109.1	D678	D678-K680 WeakPolarHBondContact OD1-CD 3.29Å; D678-K680 IonicContact OD1-NZ 2.77Å; D678-K680 PolarHBondContact OD1-NZ 2.78Å; D678-K680 IonicContact OD2-NZ 3.8Å
681	S	31.5	Very low	33.9	Very low	105 Å²	105	148.6 Å²	148.6	73%	0.734	76%	0.764	S	S	*	*			cis	-150.4	153.1	-6.9	-70.3	0	0	0	0	109.6
682	T	38.3	Very low	34.2	Very low	134 Å²	134	153.6 Å²	153.6	82%	0.822	79%	0.791	S	S	*	*			trans	-80	162.6	157.2	45.4	0	0	0	0	110.6
683	P	39.8	Very low	33.2	Very low	125 Å²	125	156.5 Å²	156.5	81%	0.812	80%	0.799	S	S	*	*				-140.8	151.3	109.8	37.4	-26.1	0	0	0	114.2
684	E	32.8	Very low	33.3	Very low	177 Å²	177	154.8 Å²	154.8	83%	0.827	80%	0.798	S	S	*	*			trans	-81.2	149.3	157.8	-66.4	-170.3	114.2	0	0	110.6
685	Q	32.7	Very low	33.3	Very low	163 Å²	163	156.5 Å²	156.5	76%	0.762	81%	0.805	S	S	*	*				163.2	164.7	112.2	-88	-165.3	-3.7	0	0	113.8
686	N	28.2	Very low	33.5	Very low	135 Å²	135	153.5 Å²	153.5	72%	0.722	81%	0.805	S	S	*	*			trans	74.3	88.4	157.8	-62	-33.4	0	0	0	119.6	S688	N686-S688 PolarHBondContact O-N 2.76Å
687	W	32.8	Very low	33.7	Very low	260 Å²	260	157.6 Å²	157.6	99%	0.985	82%	0.817	S	S	*	*			trans	-62.7	120.8	142.2	-81.2	2.1	0	0	0	110.8
688	S	34	Very low	33.8	Very low	108 Å²	108	161.9 Å²	161.9	76%	0.755	83%	0.827	S	S	*	*			trans	-165.9	131.6	158.7	-93.5	0	0	0	0	115.2	N686	N686-S688 PolarHBondContact O-N 2.76Å
689	S	30.2	Very low	33.9	Very low	105 Å²	105	165.6 Å²	165.6	73%	0.734	85%	0.845	S	S	*	*			trans	57.7	95.1	145	-59.8	0	0	0	0	121.5
690	R	34.6	Very low	33.8	Very low	239 Å²	239	164.5 Å²	164.5	90%	0.902	85%	0.845	S	S	*	*				-179.8	147.7	113.8	-90.8	154.5	-158.3	-124.5	6	108.9
691	K	33.8	Very low	33.8	Very low	200 Å²	200	163.8 Å²	163.8	87%	0.87	85%	0.853	S	S	*	*			cis	80.4	69.3	18.7	-152.9	-175.1	-174.8	-174.3	0	115
692	T	37.4	Very low	34.1	Very low	214 Å²	214	169.1 Å²	169.1	100%	1.313	86%	0.864	S	S	*	*			trans	-132.3	0	146.6	49.1	0	0	0	0	106.9

Retrieved 692 of 692 residues in 176.5 ms (Link to these results)

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