A0A077Z2R2_TRITR Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077Z2R2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 530 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	38.3	Very low	35.6	Very low	238 Å²	238	169.6 Å²	169.6	100%	1.172	89%	0.886	S	S	*	*				0	133.5	0	-78	176.6	167.2	0	0	107.8
2	T	39.5	Very low	35.3	Very low	143 Å²	143	163.8 Å²	163.8	88%	0.877	87%	0.87	S	S	*	*			trans	65.9	87.9	171.5	56.3	0	0	0	0	119.4
3	D	32.6	Very low	34.9	Very low	148 Å²	148	166.2 Å²	166.2	79%	0.791	87%	0.873	S	S	*	*			trans	-62.7	137.9	144.2	-96.5	-56.3	0	0	0	111.5
4	K	41.7	Very low	34.7	Very low	213 Å²	213	168.1 Å²	168.1	93%	0.926	87%	0.87	S	S	*	*			trans	-167.9	116	140.3	-107.9	171.5	-173.5	-178.6	0	111
5	K	39	Very low	34.3	Very low	199 Å²	199	163.9 Å²	163.9	87%	0.865	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-77.4	148.2	-174.8	-75.5	177.3	174.6	176	0	113.6
6	L	37.6	Very low	33.8	Very low	173 Å²	173	160.8 Å²	160.8	91%	0.906	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-69.4	141.3	170.1	-71.7	117.5	0	0	0	112.8
7	G	32.7	Very low	33.5	Very low	65 Å²	65	158.6 Å²	158.6	67%	0.67	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-89.1	157.1	152.6	0	0	0	0	0	110.2
8	P	36.1	Very low	33.4	Very low	130 Å²	130	158.4 Å²	158.4	84%	0.844	85%	0.848	S	S	*	*				-143.3	170.4	95.4	32.1	-13.1	0	0	0	115.4
9	T	30.3	Very low	33.2	Very low	137 Å²	137	159.7 Å²	159.7	84%	0.84	85%	0.848	S	S	*	*			trans	-49.3	137.3	178.3	38.5	0	0	0	0	115.9
10	R	34.4	Very low	33	Very low	253 Å²	253	161 Å²	161	96%	0.955	85%	0.849	S	S	*	*			trans	-151.8	129.8	151.6	-114.2	177.5	179.4	-172.7	-0.8	111.6
11	N	29.6	Very low	32.9	Very low	167 Å²	167	161.9 Å²	161.9	89%	0.893	85%	0.849	S	S	*	*			trans	-46.1	137.1	175.2	-79	-26.1	0	0	0	113.3
12	S	32.4	Very low	32.5	Very low	100 Å²	100	156.5 Å²	156.5	70%	0.699	83%	0.83	S	S	*	*			trans	-126.8	108.6	151	81.3	0	0	0	0	109.2	K14	S12-K14 PolarHBondContact O-N 2.83Å
13	Q	29.7	Very low	32.1	Very low	194 Å²	194	158.3 Å²	158.3	91%	0.907	82%	0.822	S	S	*	*			trans	-70.7	112.2	159.8	-77.6	169.5	-54.3	0	0	106.7
14	K	31.8	Very low	31.9	Very low	193 Å²	193	158.3 Å²	158.3	84%	0.839	82%	0.822	S	S	*	*			trans	-91.8	99	165.1	-78.4	-175.2	176.1	-178.1	0	108.1	S12 C16	S12-K14 PolarHBondContact O-N 2.83Å; K14-C16 PolarHBondContact O-N 2.92Å
15	S	28.5	Very low	31.3	Very low	106 Å²	106	155.5 Å²	155.5	74%	0.741	82%	0.817	S	S	*	*			trans	-66.8	116.2	161.2	50.1	0	0	0	0	108.6
16	C	26.8	Very low	31	Very low	113 Å²	113	152.7 Å²	152.7	76%	0.764	81%	0.805	S	S	*	*			trans	-93.1	95.7	170.9	-167.8	0	0	0	0	107.4	K14 L18	K14-C16 PolarHBondContact O-N 2.92Å; C16-L18 PolarHBondContact O-N 3.44Å
17	T	27.8	Very low	30.7	Very low	124 Å²	124	151.9 Å²	151.9	76%	0.761	80%	0.796	S	S	*	*			trans	-70.9	106.7	164.4	43.9	0	0	0	0	107.3
18	L	33.1	Very low	30.8	Very low	155 Å²	155	152.1 Å²	152.1	81%	0.812	79%	0.792	S	S	*	*			trans	-91.4	114.7	166.1	-87.6	159.4	0	0	0	106.9	C16 E20	C16-L18 PolarHBondContact O-N 3.44Å; L18-E20 PolarHBondContact O-N 3.18Å
19	E	29.9	Very low	30.7	Very low	183 Å²	183	152.3 Å²	152.3	86%	0.855	79%	0.786	S	S	*	*			trans	-54.9	127.3	177.9	-68.5	166.2	159.6	0	0	110.3	E21	E19-E21 PolarHBondContact O-N 3.18Å; E19-E21 VanDerWaalsContact O-N 3.1Å
20	E	27.9	Very low	31	Very low	185 Å²	185	152.1 Å²	152.1	86%	0.864	78%	0.776	S	S	*	*			trans	-68.9	97.7	169.8	-73.3	177.9	150.5	0	0	108.5	L18 T22	L18-E20 PolarHBondContact O-N 3.18Å; E20-T22 PolarHBondContact O-N 3.36Å
21	E	31	Very low	31	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	75%	0.746	S	S	*	*			trans	-68	98.2	165.3	-75.5	-174.8	171.1	0	0	109	E19 Y23	E19-E21 PolarHBondContact O-N 3.18Å; E19-E21 VanDerWaalsContact O-N 3.1Å; E21-Y23 PolarHBondContact O-N 2.86Å
22	T	30.2	Very low	31.3	Very low	125 Å²	125	137.3 Å²	137.3	77%	0.767	72%	0.716	S	S	*	*			trans	-67.5	106.1	168.2	41	0	0	0	0	108.9	E20 D24	E20-T22 PolarHBondContact O-N 3.36Å; T22-D24 PolarHBondContact O-N 3.2Å
23	Y	30.2	Very low	31.4	Very low	181 Å²	181	135.9 Å²	135.9	71%	0.71	71%	0.71	S	S	*	*			trans	-100.6	61.3	173.3	-139.9	-93.3	0	0	0	109.6	E21 F26	E21-Y23 PolarHBondContact O-N 2.86Å; Y23-F26 HydrophobicContact CD1-CD2 4.01Å; Y23-F26 HydrophobicContact CD1-CE2 4.17Å; Y23-F26 AromaticContact CE1-CD2 3.43Å; Y23-F26 HydrophobicContact CE1-CD2 3.43Å; Y23-F26 VanDerWaalsContact CE1-CD2 3.43Å; Y23-F26 AromaticContact CE1-CE2 3.26Å; Y23-F26 HydrophobicContact CE1-CE2 3.26Å; Y23-F26 HydrophobicContact CE1-CZ 4.29Å; Y23-F26 AromaticContact CZ-CE2 3.61Å; Y23-F26 WeakPolarHBondContact OH-CE2 3.39Å
24	D	28.3	Very low	31.7	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	70%	0.697	S	S	*	*			trans	-107.1	90.9	173.6	-94.6	-23.6	0	0	0	109.5	T22	T22-D24 PolarHBondContact O-N 3.2Å
25	N	29.5	Very low	32	Very low	154 Å²	154	123.7 Å²	123.7	82%	0.824	66%	0.664	S	S	*	*			trans	164.7	92.1	148.1	-100.6	-32.2	0	0	0	109.2
26	F	32.7	Very low	32.7	Very low	139 Å²	139	126 Å²	126	61%	0.61	66%	0.657	S	S	*	*			trans	-136.2	118.2	163.5	-93.7	-87.3	0	0	0	110.2	Y23	Y23-F26 HydrophobicContact CD1-CD2 4.01Å; Y23-F26 HydrophobicContact CD1-CE2 4.17Å; Y23-F26 AromaticContact CE1-CD2 3.43Å; Y23-F26 HydrophobicContact CE1-CD2 3.43Å; Y23-F26 VanDerWaalsContact CE1-CD2 3.43Å; Y23-F26 AromaticContact CE1-CE2 3.26Å; Y23-F26 HydrophobicContact CE1-CE2 3.26Å; Y23-F26 HydrophobicContact CE1-CZ 4.29Å; Y23-F26 AromaticContact CZ-CE2 3.61Å; Y23-F26 WeakPolarHBondContact OH-CE2 3.39Å
27	Q	32.4	Very low	33.3	Very low	156 Å²	156	124.9 Å²	124.9	73%	0.729	65%	0.65	S	S	*	*			trans	-56.9	132.5	-179.3	-74.4	173.8	-30.1	0	0	110.5	D29	Q27-D29 PolarHBondContact O-N 2.92Å; Q27-D29 VanDerWaalsContact O-N 3.1Å
28	A	34	Very low	33.8	Very low	71 Å²	71	124.2 Å²	124.2	59%	0.587	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-15	-174.6	0	0	0	0	0	114
29	D	33.4	Very low	34.3	Very low	134 Å²	134	120.9 Å²	120.9	72%	0.717	62%	0.622	S	S	*	*	H	α-helix	trans	-83.8	-24.6	-167.6	-61.7	-26.2	0	0	0	114.1	Q27	Q27-D29 PolarHBondContact O-N 2.92Å; Q27-D29 VanDerWaalsContact O-N 3.1Å
30	E	36.5	Very low	34.5	Very low	132 Å²	132	118.2 Å²	118.2	62%	0.617	61%	0.611	S	S	*	*	H	α-helix	trans	-78.5	-25	178.9	-84	-172.6	147.7	0	0	113.9	V32 T34	E30-V32 VanDerWaalsContact C-N 3.28Å; E30-V32 PolarHBondContact O-N 3.05Å; E30-T34 PolarHBondContact O-OG1 3.33Å
31	I	36.2	Very low	34.7	Very low	65 Å²	65	114.1 Å²	114.1	33%	0.333	60%	0.602	S	S	.	*	H	α-helix	trans	-70.8	-30.4	-178.4	-66	174.7	0	0	0	110.9	L35	I31-L35 HydrophobicContact CG2-CD1 3.67Å; I31-L35 WeakPolarHBondContact O-CD1 3.46Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 3.31Å
32	V	34.1	Very low	34.7	Very low	44 Å²	44	113 Å²	113	27%	0.267	60%	0.595	S	S	.	*	H	α-helix	trans	-70.8	-41.1	-176.8	-177.9	0	0	0	0	111.1	E30 T34 W36	E30-V32 VanDerWaalsContact C-N 3.28Å; E30-V32 PolarHBondContact O-N 3.05Å; V32-T34 PolarHBondContact O-N 3.43Å; V32-W36 HydrophobicContact CB-CZ2 4.48Å; V32-W36 HydrophobicContact CG1-CD2 3.74Å; V32-W36 HydrophobicContact CG1-CE3 3.93Å; V32-W36 HydrophobicContact CG1-CH2 3.23Å; V32-W36 HydrophobicContact CG1-CZ2 2.99Å; V32-W36 HydrophobicContact CG1-CZ3 3.69Å; V32-W36 VanDerWaalsContact O-CD1 3.26Å; V32-W36 VanDerWaalsContact O-CD2 3.25Å; V32-W36 PolarHBondContact O-N 3.2Å
33	A	35.8	Very low	34.6	Very low	70 Å²	70	112 Å²	112	58%	0.579	59%	0.588	S	S	*	*	H	α-helix	trans	-70	-33.5	-178.9	0	0	0	0	0	113.7
34	T	35.5	Very low	34.5	Very low	102 Å²	102	111 Å²	111	63%	0.626	60%	0.595	S	S	*	*	H	α-helix	trans	-81.7	-23.6	-176.3	-44.6	0	0	0	0	112.8	E30 V32 S37	E30-T34 PolarHBondContact O-OG1 3.33Å; V32-T34 PolarHBondContact O-N 3.43Å; T34-S37 PolarHBondContact O-OG 3.25Å
35	L	39.2	Very low	34.5	Very low	29 Å²	29	111.5 Å²	111.5	15%	0.152	60%	0.598	C	S	.	*	H	α-helix	trans	-84.2	-20.3	177.2	-72.9	167.7	0	0	0	112.8	I31 A495	I31-L35 HydrophobicContact CG2-CD1 3.67Å; I31-L35 WeakPolarHBondContact O-CD1 3.46Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 3.31Å; L35-A495 HydrophobicContact CD1-CB 3.85Å
36	W	42.8	Very low	34.4	Very low	156 Å²	156	109.7 Å²	109.7	59%	0.591	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-13.4	-174.4	-69	-4.2	0	0	0	114.8	V32 M40	V32-W36 HydrophobicContact CB-CZ2 4.48Å; V32-W36 HydrophobicContact CG1-CD2 3.74Å; V32-W36 HydrophobicContact CG1-CE3 3.93Å; V32-W36 HydrophobicContact CG1-CH2 3.23Å; V32-W36 HydrophobicContact CG1-CZ2 2.99Å; V32-W36 HydrophobicContact CG1-CZ3 3.69Å; V32-W36 VanDerWaalsContact O-CD1 3.26Å; V32-W36 VanDerWaalsContact O-CD2 3.25Å; V32-W36 PolarHBondContact O-N 3.2Å; W36-M40 WeakPolarHBondContact O-CG 3.36Å
37	S	38.2	Very low	34	Very low	89 Å²	89	112.9 Å²	112.9	62%	0.622	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-24.3	175.1	48.9	0	0	0	0	113.8	T34	T34-S37 PolarHBondContact O-OG 3.25Å
38	D	39.5	Very low	33.9	Very low	109 Å²	109	108.4 Å²	108.4	58%	0.583	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-19.7	-175.7	-82.8	-14.8	0	0	0	113.9	R502	D38-R502 IonicContact OD2-NH1 3.52Å; D38-R502 IonicContact OD2-NH2 3.35Å; D38-R502 PolarHBondContact OD2-NH2 3.42Å
39	E	43.3	Very low	33.9	Very low	85 Å²	85	112.4 Å²	112.4	40%	0.397	61%	0.613	S	S	.	*	S	Bend	trans	-93.6	-1.9	-173.9	-71.7	-160.6	128.5	0	0	115.2	C41 R494 L498	E39-C41 VanDerWaalsContact C-N 3.29Å; E39-C41 PolarHBondContact O-N 3.41Å; E39-R494 IonicContact OE1-CZ 3.24Å; E39-R494 IonicContact OE1-NH1 3.56Å; E39-R494 PolarHBondContact OE1-NH1 3.39Å; E39-R494 IonicContact OE1-NH2 3.62Å; E39-R494 PolarHBondContact OE1-NH2 2.88Å; E39-R494 IonicContact OE2-CZ 2.65Å; E39-R494 IonicContact OE2-NH1 3.69Å; E39-R494 PolarHBondContact OE2-NH1 3.47Å; E39-R494 IonicContact OE2-NH2 2.72Å; E39-R494 PolarHBondContact OE2-NH2 3.24Å; E39-L498 VanDerWaalsContact OE1-CD1 3.24Å; E39-L498 WeakPolarHBondContact OE1-CD1 3.39Å
40	M	33.8	Very low	34.7	Very low	127 Å²	127	114.4 Å²	114.4	63%	0.626	62%	0.615	S	S	*	*			trans	-81.4	29.1	-172	-71.5	-109.8	81.4	0	0	116.1	W36 I415	W36-M40 WeakPolarHBondContact O-CG 3.36Å; M40-I415 HydrophobicContact CE-CD1 3.68Å
41	C	31.4	Very low	36	Very low	99 Å²	99	113.8 Å²	113.8	67%	0.669	62%	0.616	S	S	*	*			trans	-123.6	53.8	177.9	-145	0	0	0	0	113.3	E39	E39-C41 VanDerWaalsContact C-N 3.29Å; E39-C41 PolarHBondContact O-N 3.41Å
42	K	30.9	Very low	38.3	Very low	159 Å²	159	111.3 Å²	111.3	69%	0.691	61%	0.607	S	S	*	*			trans	-146.2	70	163.8	-71.3	-168.3	-177.7	176.3	0	111.1
43	T	29.9	Very low	41	Very low	102 Å²	102	110.3 Å²	110.3	63%	0.626	60%	0.599	S	S	*	*	S	Bend	trans	-160.8	117	151.7	37.6	0	0	0	0	108.3
44	N	27.8	Very low	43.8	Very low	160 Å²	160	109.8 Å²	109.8	86%	0.856	59%	0.585	S	S	*	*	S	Bend	trans	58.9	130.4	165.1	-62.6	-19.1	0	0	0	118.9
45	D	27.3	Very low	46.5	Very low	159 Å²	159	107.5 Å²	107.5	85%	0.85	57%	0.57	S	S	*	*			trans	77.2	115.9	178.6	-72.4	-24.4	0	0	0	118.9	K47	D45-K47 PolarHBondContact O-N 3.43Å; D45-K47 VanDerWaalsContact O-N 3.08Å
46	C	27.8	Very low	49.1	Very low	117 Å²	117	106.5 Å²	106.5	79%	0.791	57%	0.565	S	S	*	*			trans	-58.8	106.3	164	59.2	0	0	0	0	109.7
47	K	25.3	Very low	51.4	Low	206 Å²	206	103.7 Å²	103.7	90%	0.896	56%	0.558	S	S	*	*			trans	-176	84.4	157.7	-99.5	152.7	-162.2	-175	0	109.5	D45	D45-K47 PolarHBondContact O-N 3.43Å; D45-K47 VanDerWaalsContact O-N 3.08Å
48	S	30.1	Very low	53.7	Low	61 Å²	61	99.9 Å²	99.9	43%	0.427	53%	0.532	S	S	.	.			trans	-148.5	109	164.1	170.4	0	0	0	0	107.9	K50	S48-K50 PolarHBondContact O-N 2.88Å
49	T	34.2	Very low	56	Low	156 Å²	156	98.4 Å²	98.4	96%	0.957	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	26	-174.3	38.7	0	0	0	0	114.4
50	K	49	Very low	58.4	Low	175 Å²	175	97.2 Å²	97.2	76%	0.761	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-6.1	178.9	-77.5	-173.8	176.5	178.5	0	114.7	S48 G52	S48-K50 PolarHBondContact O-N 2.88Å; K50-G52 PolarHBondContact O-N 3.45Å
51	D	64.1	Low	61.2	Low	119 Å²	119	91.1 Å²	91.1	64%	0.636	49%	0.49	S	S	*	.			trans	-85.7	107.6	178.8	-73	-26.1	0	0	0	111	F53	D51-F53 PolarHBondContact O-N 3.08Å; D51-F53 VanDerWaalsContact O-N 3.09Å
52	G	84.7	Confident	64.1	Low	14 Å²	14	86.7 Å²	86.7	14%	0.144	46%	0.459	C	S	.	.	S	Bend	trans	-72.5	7.8	177.4	0	0	0	0	0	114.8	K50 R237 C240	K50-G52 PolarHBondContact O-N 3.45Å; G52-R237 WeakPolarHBondContact O-CB 3.47Å; G52-R237 PolarHBondContact O-N 2.88Å; G52-C240 VanDerWaalsContact CA-SG 3.54Å; G52-C240 WeakPolarHBondContact O-CB 3.46Å
53	F	91	Very high	67.1	Low	23 Å²	23	82.5 Å²	82.5	10%	0.101	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147	174.8	-61.5	-84.1	0	0	0	111.2	D51 L234 R235 R236 C240 Q242 K243 A244 F254	D51-F53 PolarHBondContact O-N 3.08Å; D51-F53 VanDerWaalsContact O-N 3.09Å; F53-L234 HydrophobicContact CB-CD2 4.29Å; F53-R235 CarbonylContact C-O 3.59Å; F53-R235 VanDerWaalsContact CA-O 3.32Å; F53-R235 WeakPolarHBondContact CA-O 3.33Å; F53-R236 HydrophobicContact CD1-CB 4.09Å; F53-R236 HydrophobicContact CE1-CB 3.83Å; F53-R236 HydrophobicContact CE1-CG 4.03Å; F53-C240 WeakPolarHBondContact CE2-SG 3.49Å; F53-Q242 VanDerWaalsContact CE2-O 3.3Å; F53-Q242 WeakPolarHBondContact CE2-O 3.21Å; F53-Q242 WeakPolarHBondContact CZ-O 3.4Å; F53-K243 WeakPolarHBondContact CE2-O 3.31Å; F53-A244 HydrophobicContact CD1-CB 4.19Å; F53-A244 HydrophobicContact CD2-CB 4.14Å; F53-A244 HydrophobicContact CE1-CB 4.03Å; F53-A244 HydrophobicContact CE2-CB 3.96Å; F53-A244 HydrophobicContact CG-CB 4.25Å; F53-A244 HydrophobicContact CZ-CB 3.92Å; F53-F254 AromaticContact CD1-CD2 3.92Å; F53-F254 HydrophobicContact CD1-CD2 3.92Å; F53-F254 HydrophobicContact CD1-CE2 4.22Å; F53-F254 HydrophobicContact CE1-CB 3.89Å; F53-F254 HydrophobicContact CE1-CD1 4.48Å; F53-F254 AromaticContact CE1-CD2 3.45Å; F53-F254 HydrophobicContact CE1-CD2 3.45Å; F53-F254 VanDerWaalsContact CE1-CD2 3.45Å; F53-F254 HydrophobicContact CE1-CE2 4.06Å; F53-F254 AromaticContact CE1-CG 3.69Å; F53-F254 HydrophobicContact CE1-CG 3.69Å; F53-F254 HydrophobicContact CZ-CB 4.07Å; F53-F254 HydrophobicContact CZ-CD2 4.41Å; F53-F254 HydrophobicContact CZ-CG 4.37Å
54	E	93.2	Very high	70.1	Confident	59 Å²	59	79 Å²	79	28%	0.276	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.1	171.9	178.1	-175.2	-173.9	0	0	109.2	L56 L234 R235	E54-L56 HydrophobicContact CG-CD2 3.9Å; E54-L56 HydrophobicContact CG-CG 4.44Å; E54-L234 CarbonylContact O-C 3.59Å; E54-L234 WeakPolarHBondContact O-CA 3.18Å; E54-R235 HydrophobicContact CB-CB 4.36Å; E54-R235 PolarHBondContact N-O 3.21Å; E54-R235 PolarHBondContact O-N 3.35Å; E54-R235 IonicContact OE1-NH2 3.61Å; E54-R235 PolarHBondContact OE1-NH2 3.38Å; E54-R235 VanDerWaalsContact OE1-NH2 3.15Å; E54-R235 IonicContact OE2-CZ 2.64Å; E54-R235 IonicContact OE2-NE 2.69Å; E54-R235 PolarHBondContact OE2-NE 3.13Å; E54-R235 IonicContact OE2-NH2 3.77Å; E54-R235 PolarHBondContact OE2-NH2 2.85Å
55	V	93.3	Very high	73.3	Confident	54 Å²	54	71.3 Å²	71.3	33%	0.327	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.6	178.6	-173.5	0	0	0	0	109.4	Y232 L233 L234 K247	V55-Y232 HydrophobicContact CG1-CD1 3.92Å; V55-Y232 HydrophobicContact CG1-CG 3.96Å; V55-L233 CarbonylContact C-O 3.53Å; V55-L233 WeakPolarHBondContact CA-O 3.38Å; V55-L234 HydrophobicContact CG2-CG 4.31Å; V55-K247 HydrophobicContact CG1-CB 3.91Å
56	L	93.7	Very high	76.5	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.037	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.6	-175.4	-60.5	178.9	0	0	0	110.8	E54 D60 V61 I64 L222 Y232 L233 R235	E54-L56 HydrophobicContact CG-CD2 3.9Å; E54-L56 HydrophobicContact CG-CG 4.44Å; L56-D60 HydrophobicContact CB-CB 4.16Å; L56-D60 HydrophobicContact CD2-CB 4.05Å; L56-V61 HydrophobicContact CB-CG2 4.14Å; L56-V61 HydrophobicContact CD1-CG2 4.08Å; L56-I64 HydrophobicContact CD1-CD1 3.81Å; L56-L222 HydrophobicContact CD1-CD2 3.88Å; L56-Y232 WeakPolarHBondContact O-CA 3.28Å; L56-L233 PolarHBondContact N-O 2.95Å; L56-L233 PolarHBondContact O-N 3.18Å; L56-R235 HydrophobicContact CD1-CB 3.91Å
57	Q	90.2	Very high	79.6	Confident	97 Å²	97	65.2 Å²	65.2	45%	0.453	34%	0.336	S	S	.	.			trans	-93.1	165.1	164.7	-63.5	-172.9	-51.8	0	0	110.6	I59 D60 V61 Y232	Q57-I59 HydrophobicContact CB-CG2 4.21Å; Q57-I59 PolarHBondContact O-N 3.29Å; Q57-D60 WeakPolarHBondContact CB-OD2 3.37Å; Q57-D60 PolarHBondContact N-OD2 3.43Å; Q57-D60 WeakPolarHBondContact O-CB 3.4Å; Q57-D60 PolarHBondContact O-N 2.92Å; Q57-V61 PolarHBondContact O-N 2.8Å; Q57-Y232 HydrophobicContact CG-CD1 4Å; Q57-Y232 HydrophobicContact CG-CE1 3.77Å
58	S	86.9	Confident	82.9	Confident	10 Å²	10	59.3 Å²	59.3	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-54.9	-35.6	178.6	-50.1	0	0	0	0	113.2	V61 H62 V208 N209	S58-V61 PolarHBondContact O-N 2.94Å; S58-H62 PolarHBondContact O-N 2.74Å; S58-V208 VanDerWaalsContact O-CG1 3.25Å; S58-V208 WeakPolarHBondContact O-CG1 3.48Å; S58-N209 WeakPolarHBondContact CB-OD1 3.29Å; S58-N209 PolarHBondContact OG-OD1 3.26Å
59	I	88.4	Confident	86.1	Confident	78 Å²	78	56.4 Å²	56.4	40%	0.4	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-36.2	177.9	-169.6	59.4	0	0	0	112.5	Q57 V61 H62 N63	Q57-I59 HydrophobicContact CB-CG2 4.21Å; Q57-I59 PolarHBondContact O-N 3.29Å; I59-V61 VanDerWaalsContact C-N 3.34Å; I59-H62 WeakPolarHBondContact O-CB 3.46Å; I59-H62 PolarHBondContact O-N 2.97Å; I59-N63 VanDerWaalsContact O-CG 3.27Å; I59-N63 PolarHBondContact O-N 3.4Å; I59-N63 PolarHBondContact O-ND2 2.77Å
60	D	92.7	Very high	89	Confident	59 Å²	59	49.7 Å²	49.7	32%	0.316	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-42.4	177.6	-54.9	-46.3	0	0	0	110.3	L56 Q57 H62 N63 I64	L56-D60 HydrophobicContact CB-CB 4.16Å; L56-D60 HydrophobicContact CD2-CB 4.05Å; Q57-D60 WeakPolarHBondContact CB-OD2 3.37Å; Q57-D60 PolarHBondContact N-OD2 3.43Å; Q57-D60 WeakPolarHBondContact O-CB 3.4Å; Q57-D60 PolarHBondContact O-N 2.92Å; D60-H62 VanDerWaalsContact C-N 3.33Å; D60-H62 PolarHBondContact O-N 3.42Å; D60-N63 PolarHBondContact O-N 3.32Å; D60-I64 WeakPolarHBondContact O-CG1 3.47Å; D60-I64 PolarHBondContact O-N 3.49Å
61	V	92.8	Very high	91.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-40.1	176.1	176.5	0	0	0	0	111.4	L56 Q57 S58 I59 N63 I64 M65 T212 F215 V216 L222 L233	L56-V61 HydrophobicContact CB-CG2 4.14Å; L56-V61 HydrophobicContact CD1-CG2 4.08Å; Q57-V61 PolarHBondContact O-N 2.8Å; S58-V61 PolarHBondContact O-N 2.94Å; I59-V61 VanDerWaalsContact C-N 3.34Å; V61-N63 VanDerWaalsContact C-N 3.34Å; V61-I64 PolarHBondContact O-N 3.1Å; V61-M65 WeakPolarHBondContact O-CB 3.44Å; V61-M65 PolarHBondContact O-N 3.07Å; V61-T212 HydrophobicContact CG1-CG2 4.2Å; V61-F215 HydrophobicContact CG1-CD1 4.07Å; V61-F215 HydrophobicContact CG1-CE1 4.25Å; V61-V216 HydrophobicContact CG1-CG2 3.65Å; V61-L222 HydrophobicContact CG1-CD1 4.32Å; V61-L233 HydrophobicContact CG2-CB 4.17Å; V61-L233 HydrophobicContact CG2-CD1 4.04Å; V61-L233 HydrophobicContact CG2-CD2 4.16Å; V61-L233 HydrophobicContact CG2-CG 4.34Å
62	H	92.5	Very high	92.7	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-40.5	173.3	179.3	-119.3	0	0	0	112.2	S58 I59 D60 M65 L66 V208 T212	S58-H62 PolarHBondContact O-N 2.74Å; I59-H62 WeakPolarHBondContact O-CB 3.46Å; I59-H62 PolarHBondContact O-N 2.97Å; D60-H62 VanDerWaalsContact C-N 3.33Å; D60-H62 PolarHBondContact O-N 3.42Å; H62-M65 WeakPolarHBondContact O-CB 3.48Å; H62-M65 PolarHBondContact O-N 2.87Å; H62-L66 WeakPolarHBondContact O-CG 3.47Å; H62-L66 PolarHBondContact O-N 3.05Å; H62-V208 HydrophobicContact CB-CG1 3.77Å; H62-T212 HydrophobicContact CB-CG2 3.83Å
63	N	93.5	Very high	93.2	Very high	71 Å²	71	40 Å²	40	38%	0.38	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-42	175.7	-69	-28.9	0	0	0	112.1	I59 D60 V61 M65 L66 Q67	I59-N63 VanDerWaalsContact O-CG 3.27Å; I59-N63 PolarHBondContact O-N 3.4Å; I59-N63 PolarHBondContact O-ND2 2.77Å; D60-N63 PolarHBondContact O-N 3.32Å; V61-N63 VanDerWaalsContact C-N 3.34Å; N63-M65 VanDerWaalsContact C-N 3.34Å; N63-L66 PolarHBondContact O-N 3.07Å; N63-Q67 WeakPolarHBondContact O-CG 3.37Å; N63-Q67 PolarHBondContact O-N 3.22Å
64	I	93.6	Very high	93.4	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.138	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-46.3	173.6	-66.2	163.6	0	0	0	110.2	L56 D60 V61 L66 Q67 E68 F215	L56-I64 HydrophobicContact CD1-CD1 3.81Å; D60-I64 WeakPolarHBondContact O-CG1 3.47Å; D60-I64 PolarHBondContact O-N 3.49Å; V61-I64 PolarHBondContact O-N 3.1Å; I64-L66 VanDerWaalsContact C-N 3.34Å; I64-L66 PolarHBondContact O-N 2.98Å; I64-Q67 WeakPolarHBondContact O-CB 3.48Å; I64-Q67 PolarHBondContact O-N 3.11Å; I64-Q67 VanDerWaalsContact O-N 3.15Å; I64-E68 PolarHBondContact O-N 3.19Å; I64-F215 HydrophobicContact CG2-CE1 4.26Å; I64-F215 HydrophobicContact CG2-CZ 4.07Å
65	M	94.8	Very high	93.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-45.2	176.6	-175.2	-168.4	81.9	0	0	111.6	V61 H62 N63 Q67 E68 V69 W92 T212 F215	V61-M65 WeakPolarHBondContact O-CB 3.44Å; V61-M65 PolarHBondContact O-N 3.07Å; H62-M65 WeakPolarHBondContact O-CB 3.48Å; H62-M65 PolarHBondContact O-N 2.87Å; N63-M65 VanDerWaalsContact C-N 3.34Å; M65-Q67 VanDerWaalsContact C-N 3.32Å; M65-Q67 PolarHBondContact O-N 3.07Å; M65-E68 PolarHBondContact O-N 2.99Å; M65-V69 WeakPolarHBondContact O-CG2 3.48Å; M65-V69 PolarHBondContact O-N 3.31Å; M65-V69 VanDerWaalsContact O-N 3.09Å; M65-W92 HydrophobicContact CE-CH2 4.36Å; M65-W92 HydrophobicContact CG-CE3 4.49Å; M65-W92 HydrophobicContact CG-CH2 3.08Å; M65-W92 HydrophobicContact CG-CZ2 3.6Å; M65-W92 HydrophobicContact CG-CZ3 3.59Å; M65-W92 HydrophobicContact SD-CH2 3.62Å; M65-W92 HydrophobicContact SD-CZ2 3.55Å; M65-W92 VanDerWaalsContact SD-CZ2 3.55Å; M65-T212 HydrophobicContact SD-CG2 4.02Å; M65-F215 HydrophobicContact CB-CD1 3.94Å; M65-F215 HydrophobicContact CB-CE1 4.01Å; M65-F215 HydrophobicContact CB-CG 4.21Å; M65-F215 HydrophobicContact CB-CZ 4.34Å; M65-F215 HydrophobicContact CG-CB 4.26Å; M65-F215 HydrophobicContact CG-CD1 4.2Å; M65-F215 HydrophobicContact CG-CD2 4.17Å; M65-F215 HydrophobicContact CG-CG 3.95Å; M65-F215 HydrophobicContact SD-CB 4.21Å
66	L	93.8	Very high	93.4	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-28.9	177.4	-69.8	-177.4	0	0	0	113.1	H62 N63 I64 V69 A70 R192	H62-L66 WeakPolarHBondContact O-CG 3.47Å; H62-L66 PolarHBondContact O-N 3.05Å; N63-L66 PolarHBondContact O-N 3.07Å; I64-L66 VanDerWaalsContact C-N 3.34Å; I64-L66 PolarHBondContact O-N 2.98Å; L66-V69 PolarHBondContact O-N 3.43Å; L66-A70 VanDerWaalsContact O-CB 3.28Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.28Å; L66-R192 HydrophobicContact CD1-CG 4.39Å
67	Q	94.7	Very high	93.4	Very high	133 Å²	133	50.8 Å²	50.8	62%	0.621	25%	0.25	S	S	*	.	H	α-helix	trans	-65.8	-41.4	173.5	-74.1	171.7	-5.1	0	0	111.9	N63 I64 M65 A70 H71	N63-Q67 WeakPolarHBondContact O-CG 3.37Å; N63-Q67 PolarHBondContact O-N 3.22Å; I64-Q67 WeakPolarHBondContact O-CB 3.48Å; I64-Q67 PolarHBondContact O-N 3.11Å; I64-Q67 VanDerWaalsContact O-N 3.15Å; M65-Q67 VanDerWaalsContact C-N 3.32Å; M65-Q67 PolarHBondContact O-N 3.07Å; Q67-A70 PolarHBondContact O-N 2.91Å; Q67-H71 WeakPolarHBondContact O-CB 3.16Å; Q67-H71 PolarHBondContact O-N 2.89Å
68	E	94.1	Very high	93.5	Very high	81 Å²	81	46.8 Å²	46.8	38%	0.379	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-44.6	173.3	-68.1	-68.2	167.7	0	0	111.3	I64 M65 A70 H71 A72 F215	I64-E68 PolarHBondContact O-N 3.19Å; M65-E68 PolarHBondContact O-N 2.99Å; E68-A70 PolarHBondContact O-N 3.07Å; E68-H71 PolarHBondContact O-N 3.35Å; E68-A72 PolarHBondContact O-N 3.08Å; E68-F215 HydrophobicContact CG-CE2 4.44Å
69	V	96.1	Very high	93.7	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-48.6	174.3	172.1	0	0	0	0	110.9	M65 L66 H71 A72 S73 E80 V83 R84 L87 W92	M65-V69 WeakPolarHBondContact O-CG2 3.48Å; M65-V69 PolarHBondContact O-N 3.31Å; M65-V69 VanDerWaalsContact O-N 3.09Å; L66-V69 PolarHBondContact O-N 3.43Å; V69-H71 VanDerWaalsContact C-N 3.3Å; V69-H71 PolarHBondContact O-N 3.15Å; V69-A72 PolarHBondContact O-N 3.31Å; V69-S73 VanDerWaalsContact O-CB 3.25Å; V69-S73 WeakPolarHBondContact O-CB 3.34Å; V69-S73 PolarHBondContact O-N 2.95Å; V69-E80 HydrophobicContact CG1-CB 3.8Å; V69-E80 HydrophobicContact CG1-CG 4.2Å; V69-E80 VanDerWaalsContact CG1-O 3.22Å; V69-E80 WeakPolarHBondContact CG1-O 3.36Å; V69-V83 HydrophobicContact CG1-CB 4.18Å; V69-V83 HydrophobicContact CG1-CG1 4.15Å; V69-R84 HydrophobicContact CG1-CB 3.96Å; V69-R84 HydrophobicContact CG2-CB 3.8Å; V69-R84 HydrophobicContact CG2-CG 4.07Å; V69-L87 HydrophobicContact CG2-CD1 4.06Å; V69-W92 HydrophobicContact CG2-CH2 3.75Å; V69-W92 HydrophobicContact CG2-CZ3 3.84Å
70	A	96	Very high	94	Very high	14 Å²	14	47.5 Å²	47.5	12%	0.116	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-36	179.9	0	0	0	0	0	111.8	L66 Q67 E68 R74	L66-A70 VanDerWaalsContact O-CB 3.28Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.28Å; Q67-A70 PolarHBondContact O-N 2.91Å; E68-A70 PolarHBondContact O-N 3.07Å; A70-R74 WeakPolarHBondContact O-CG 3.39Å; A70-R74 PolarHBondContact O-N 3.26Å; A70-R74 PolarHBondContact O-NH1 3.41Å; A70-R74 VanDerWaalsContact O-NH1 3.15Å
71	H	95.1	Very high	93.9	Very high	87 Å²	87	45.5 Å²	45.5	40%	0.403	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-52.9	173.7	179.3	70.5	0	0	0	111.5	Q67 E68 V69 S73 R74 V75	Q67-H71 WeakPolarHBondContact O-CB 3.16Å; Q67-H71 PolarHBondContact O-N 2.89Å; E68-H71 PolarHBondContact O-N 3.35Å; V69-H71 VanDerWaalsContact C-N 3.3Å; V69-H71 PolarHBondContact O-N 3.15Å; H71-S73 VanDerWaalsContact C-N 3.28Å; H71-S73 PolarHBondContact O-N 3.32Å; H71-R74 PolarHBondContact O-N 2.92Å; H71-V75 WeakPolarHBondContact O-CG2 3.33Å; H71-V75 PolarHBondContact O-N 3.44Å
72	A	95.1	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-32.5	177.6	0	0	0	0	0	112.7	E68 V69 V75 T76 V83 V94 F97 L98	E68-A72 PolarHBondContact O-N 3.08Å; V69-A72 PolarHBondContact O-N 3.31Å; A72-V75 PolarHBondContact O-N 3.14Å; A72-T76 WeakPolarHBondContact O-CB 3.46Å; A72-T76 WeakPolarHBondContact O-CG2 3.36Å; A72-T76 PolarHBondContact O-N 2.95Å; A72-T76 PolarHBondContact O-OG1 3.28Å; A72-V83 HydrophobicContact CB-CG1 3.63Å; A72-V94 HydrophobicContact CB-CG1 4.39Å; A72-F97 HydrophobicContact CB-CD1 4.48Å; A72-F97 HydrophobicContact CB-CE1 4.33Å; A72-L98 HydrophobicContact CB-CD2 4.4Å
73	S	95.5	Very high	93.9	Very high	19 Å²	19	45.2 Å²	45.2	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-43.3	173	175.3	0	0	0	0	112.5	V69 H71 V75 T76 L77 L78	V69-S73 VanDerWaalsContact O-CB 3.25Å; V69-S73 WeakPolarHBondContact O-CB 3.34Å; V69-S73 PolarHBondContact O-N 2.95Å; H71-S73 VanDerWaalsContact C-N 3.28Å; H71-S73 PolarHBondContact O-N 3.32Å; S73-V75 VanDerWaalsContact C-N 3.26Å; S73-V75 PolarHBondContact O-N 3.45Å; S73-T76 PolarHBondContact O-N 3Å; S73-L77 VanDerWaalsContact O-CA 3.28Å; S73-L77 WeakPolarHBondContact O-CA 3.4Å; S73-L77 PolarHBondContact O-N 3.49Å; S73-L78 WeakPolarHBondContact CB-O 3.46Å; S73-L78 PolarHBondContact OG-O 3.41Å
74	R	95.5	Very high	93.9	Very high	160 Å²	160	42.1 Å²	42.1	60%	0.604	21%	0.208	S	C	*	.	H	α-helix	trans	-61.5	-34.3	174.6	-74.5	-170.9	-59.8	-82.5	6.7	113	A70 H71	A70-R74 WeakPolarHBondContact O-CG 3.39Å; A70-R74 PolarHBondContact O-N 3.26Å; A70-R74 PolarHBondContact O-NH1 3.41Å; A70-R74 VanDerWaalsContact O-NH1 3.15Å; H71-R74 PolarHBondContact O-N 2.92Å
75	V	93.5	Very high	93.8	Very high	49 Å²	49	41.4 Å²	41.4	30%	0.297	20%	0.204	S	C	.	.	H	α-helix	trans	-76.3	-43.7	180	176.4	0	0	0	0	111.5	H71 A72 S73 L98 Y102	H71-V75 WeakPolarHBondContact O-CG2 3.33Å; H71-V75 PolarHBondContact O-N 3.44Å; A72-V75 PolarHBondContact O-N 3.14Å; S73-V75 VanDerWaalsContact C-N 3.26Å; S73-V75 PolarHBondContact O-N 3.45Å; V75-L98 HydrophobicContact CB-CD2 4.16Å; V75-L98 HydrophobicContact CG1-CD1 4.49Å; V75-L98 HydrophobicContact CG1-CD2 3.83Å; V75-Y102 HydrophobicContact CG1-CE2 3.87Å; V75-Y102 WeakPolarHBondContact CG1-OH 3.45Å; V75-Y102 PolarHBondContact O-OH 3.42Å
76	T	93.1	Very high	93.7	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-88.5	-16.4	-175.3	58	0	0	0	0	114.5	A72 S73 L78 F97 L98 Y101	A72-T76 WeakPolarHBondContact O-CB 3.46Å; A72-T76 WeakPolarHBondContact O-CG2 3.36Å; A72-T76 PolarHBondContact O-N 2.95Å; A72-T76 PolarHBondContact O-OG1 3.28Å; S73-T76 PolarHBondContact O-N 3Å; T76-L78 PolarHBondContact O-N 3.2Å; T76-F97 HydrophobicContact CG2-CE1 3.84Å; T76-F97 HydrophobicContact CG2-CZ 4.08Å; T76-L98 HydrophobicContact CG2-CD2 3.61Å; T76-Y101 HydrophobicContact CG2-CD1 3.58Å; T76-Y101 HydrophobicContact CG2-CE1 3.86Å; T76-Y101 HydrophobicContact CG2-CG 4.06Å; T76-Y101 PolarHBondContact O-OH 3.46Å
77	L	92.8	Very high	93.6	Very high	155 Å²	155	40.7 Å²	40.7	81%	0.812	20%	0.2	S	C	*	.			trans	60.2	17	-171.2	-53.9	176.6	0	0	0	114.4	S73	S73-L77 VanDerWaalsContact O-CA 3.28Å; S73-L77 WeakPolarHBondContact O-CA 3.4Å; S73-L77 PolarHBondContact O-N 3.49Å
78	L	92.3	Very high	93.4	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.073	18%	0.176	C	C	.	.			trans	-86.2	150.2	174.6	-62.7	174.1	0	0	0	110.9	S73 T76 V83 F97 Y101 I107 M120	S73-L78 WeakPolarHBondContact CB-O 3.46Å; S73-L78 PolarHBondContact OG-O 3.41Å; T76-L78 PolarHBondContact O-N 3.2Å; L78-V83 HydrophobicContact CB-CG2 3.75Å; L78-F97 HydrophobicContact CD1-CZ 4.29Å; L78-Y101 HydrophobicContact CD1-CD2 4.19Å; L78-Y101 HydrophobicContact CD1-CE2 3.68Å; L78-Y101 HydrophobicContact CD2-CE2 4.37Å; L78-Y101 HydrophobicContact CG-CE2 4.2Å; L78-I107 HydrophobicContact CD1-CD1 3.67Å; L78-I107 HydrophobicContact CD1-CG1 4.32Å; L78-I107 HydrophobicContact CD2-CB 4.18Å; L78-I107 HydrophobicContact CD2-CG1 4.41Å; L78-M120 HydrophobicContact CD2-SD 4.05Å
79	P	91.9	Very high	93	Very high	35 Å²	35	38.7 Å²	38.7	23%	0.227	19%	0.185	C	C	.	.			trans	-55.9	142.5	174.2	-23.7	33.2	0	0	0	112.5	S81 V82 V83 M120	P79-S81 VanDerWaalsContact C-N 3.27Å; P79-S81 PolarHBondContact O-N 3.46Å; P79-V82 HydrophobicContact CB-CG2 4.18Å; P79-V82 HydrophobicContact CG-CG2 4.27Å; P79-V82 WeakPolarHBondContact O-CA 3.3Å; P79-V82 WeakPolarHBondContact O-CB 3.29Å; P79-V82 PolarHBondContact O-N 3.04Å; P79-V83 PolarHBondContact O-N 2.85Å; P79-M120 HydrophobicContact CG-CE 4.19Å; P79-M120 HydrophobicContact CG-SD 4.49Å
80	E	93.8	Very high	92.6	Very high	68 Å²	68	39.4 Å²	39.4	32%	0.318	19%	0.189	S	C	.	.	H	α-helix	trans	-55.4	-38.9	-177.7	-71.5	-172.3	-168.9	0	0	113.1	V69 V82 V83 R84	V69-E80 HydrophobicContact CG1-CB 3.8Å; V69-E80 HydrophobicContact CG1-CG 4.2Å; V69-E80 VanDerWaalsContact CG1-O 3.22Å; V69-E80 WeakPolarHBondContact CG1-O 3.36Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 3.43Å; E80-V83 PolarHBondContact O-N 3.43Å; E80-R84 VanDerWaalsContact O-CB 3.29Å; E80-R84 WeakPolarHBondContact O-CB 3.36Å; E80-R84 PolarHBondContact O-N 2.92Å
81	S	91.2	Very high	92.2	Very high	16 Å²	16	48 Å²	48	11%	0.112	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-35.5	176.5	58.9	0	0	0	0	112.9	P79 F85 P188	P79-S81 VanDerWaalsContact C-N 3.27Å; P79-S81 PolarHBondContact O-N 3.46Å; S81-F85 WeakPolarHBondContact O-CB 3.48Å; S81-F85 PolarHBondContact O-N 3.05Å; S81-F85 VanDerWaalsContact O-N 3.1Å; S81-P188 WeakPolarHBondContact O-CB 3.34Å; S81-P188 WeakPolarHBondContact O-CG 3.32Å
82	V	91.8	Very high	92	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-71.6	-45	175.4	176.7	0	0	0	0	110.2	P79 E80 F85 M86 I107 P119 M120 P188	P79-V82 HydrophobicContact CB-CG2 4.18Å; P79-V82 HydrophobicContact CG-CG2 4.27Å; P79-V82 WeakPolarHBondContact O-CA 3.3Å; P79-V82 WeakPolarHBondContact O-CB 3.29Å; P79-V82 PolarHBondContact O-N 3.04Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 3.43Å; V82-F85 WeakPolarHBondContact O-CB 3.31Å; V82-F85 PolarHBondContact O-N 3.44Å; V82-M86 HydrophobicContact CG1-CE 4.42Å; V82-M86 HydrophobicContact CG1-CG 4.46Å; V82-M86 WeakPolarHBondContact O-CG 3.32Å; V82-M86 PolarHBondContact O-N 3.13Å; V82-I107 HydrophobicContact CG1-CD1 4.47Å; V82-P119 HydrophobicContact CG1-CG 3.84Å; V82-P119 HydrophobicContact CG2-CG 4.47Å; V82-M120 HydrophobicContact CG1-CG 4.32Å; V82-M120 HydrophobicContact CG1-SD 4.21Å; V82-M120 HydrophobicContact CG2-CG 3.61Å; V82-M120 HydrophobicContact CG2-SD 4.01Å; V82-P188 HydrophobicContact CG2-CG 4.07Å
83	V	94.2	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-46	177.4	174.2	0	0	0	0	111.2	V69 A72 L78 P79 E80 F85 M86 L87 F97	V69-V83 HydrophobicContact CG1-CB 4.18Å; V69-V83 HydrophobicContact CG1-CG1 4.15Å; A72-V83 HydrophobicContact CB-CG1 3.63Å; L78-V83 HydrophobicContact CB-CG2 3.75Å; P79-V83 PolarHBondContact O-N 2.85Å; E80-V83 PolarHBondContact O-N 3.43Å; V83-F85 VanDerWaalsContact C-N 3.29Å; V83-F85 PolarHBondContact O-N 3.37Å; V83-M86 PolarHBondContact O-N 3.1Å; V83-M86 VanDerWaalsContact O-N 3.11Å; V83-L87 HydrophobicContact CG1-CD1 3.92Å; V83-L87 HydrophobicContact CG1-CG 4.2Å; V83-L87 WeakPolarHBondContact O-CB 3.36Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 3.48Å; V83-F97 HydrophobicContact CG1-CE1 4.07Å
84	R	93.7	Very high	91.7	Very high	6 Å²	6	48.9 Å²	48.9	2%	0.023	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-42.5	175.1	-175.9	-89.9	142.2	112.6	-0.7	111.7	V69 E80 E88 W92 L176 D191 V211	V69-R84 HydrophobicContact CG1-CB 3.96Å; V69-R84 HydrophobicContact CG2-CB 3.8Å; V69-R84 HydrophobicContact CG2-CG 4.07Å; E80-R84 VanDerWaalsContact O-CB 3.29Å; E80-R84 WeakPolarHBondContact O-CB 3.36Å; E80-R84 PolarHBondContact O-N 2.92Å; R84-E88 IonicContact NH2-OE2 2.75Å; R84-E88 PolarHBondContact NH2-OE2 3.39Å; R84-E88 PolarHBondContact O-N 3.21Å; R84-W92 HydrophobicContact CG-CH2 4.36Å; R84-L176 PolarHBondContact NH2-O 3.45Å; R84-L176 VanDerWaalsContact NH2-O 3.07Å; R84-D191 IonicContact CZ-OD2 3.09Å; R84-D191 VanDerWaalsContact NH1-CG 3.3Å; R84-D191 IonicContact NH1-OD1 2.98Å; R84-D191 PolarHBondContact NH1-OD1 3Å; R84-D191 VanDerWaalsContact NH1-OD1 3.09Å; R84-D191 IonicContact NH1-OD2 3.28Å; R84-D191 PolarHBondContact NH1-OD2 3.06Å; R84-V211 PolarHBondContact NH2-O 2.66Å
85	F	91.3	Very high	91.6	Very high	12 Å²	12	47 Å²	47	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-42.6	174.9	177.8	-89.3	0	0	0	111.9	S81 V82 V83 R89 M116 P119 V177 T179 P188	S81-F85 WeakPolarHBondContact O-CB 3.48Å; S81-F85 PolarHBondContact O-N 3.05Å; S81-F85 VanDerWaalsContact O-N 3.1Å; V82-F85 WeakPolarHBondContact O-CB 3.31Å; V82-F85 PolarHBondContact O-N 3.44Å; V83-F85 VanDerWaalsContact C-N 3.29Å; V83-F85 PolarHBondContact O-N 3.37Å; F85-R89 HydrophobicContact CE1-CG 4.4Å; F85-R89 WeakPolarHBondContact O-CG 3.44Å; F85-R89 PolarHBondContact O-N 3.03Å; F85-M116 HydrophobicContact CD1-CE 4.13Å; F85-M116 HydrophobicContact CE1-CE 3.33Å; F85-M116 HydrophobicContact CZ-CE 4.05Å; F85-P119 HydrophobicContact CD1-CG 4.32Å; F85-P119 HydrophobicContact CE1-CG 4.48Å; F85-V177 HydrophobicContact CB-CG1 4.48Å; F85-V177 HydrophobicContact CD2-CG1 3.57Å; F85-V177 HydrophobicContact CE2-CG1 4.32Å; F85-V177 HydrophobicContact CG-CG1 4.48Å; F85-T179 HydrophobicContact CE2-CG2 4.18Å; F85-P188 HydrophobicContact CB-CB 3.73Å; F85-P188 HydrophobicContact CB-CG 3.93Å; F85-P188 HydrophobicContact CD2-CB 3.93Å; F85-P188 HydrophobicContact CG-CB 4.06Å; F85-P188 HydrophobicContact CG-CG 4.29Å
86	M	91.5	Very high	91.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-41.6	177.7	-67.3	-52.9	175	0	0	112.6	V82 V83 E88 R89 C90 F97 I107 C111 W114 M116 P119	V82-M86 HydrophobicContact CG1-CE 4.42Å; V82-M86 HydrophobicContact CG1-CG 4.46Å; V82-M86 WeakPolarHBondContact O-CG 3.32Å; V82-M86 PolarHBondContact O-N 3.13Å; V83-M86 PolarHBondContact O-N 3.1Å; V83-M86 VanDerWaalsContact O-N 3.11Å; M86-E88 VanDerWaalsContact C-N 3.32Å; M86-E88 PolarHBondContact O-N 3.33Å; M86-R89 WeakPolarHBondContact O-CB 3.26Å; M86-R89 PolarHBondContact O-N 3.4Å; M86-C90 PolarHBondContact O-N 2.65Å; M86-F97 HydrophobicContact CB-CD2 3.91Å; M86-F97 HydrophobicContact CB-CE2 3.5Å; M86-F97 VanDerWaalsContact CB-CE2 3.5Å; M86-F97 HydrophobicContact CB-CZ 4.02Å; M86-F97 HydrophobicContact CG-CE2 3.91Å; M86-F97 HydrophobicContact CG-CZ 4.43Å; M86-I107 HydrophobicContact CE-CD1 3.51Å; M86-I107 HydrophobicContact CE-CG1 4.07Å; M86-I107 HydrophobicContact CG-CD1 4.28Å; M86-I107 HydrophobicContact SD-CD1 4.48Å; M86-C111 WeakPolarHBondContact CE-SG 3.49Å; M86-W114 HydrophobicContact CB-CZ3 4.36Å; M86-W114 HydrophobicContact SD-CE3 4.4Å; M86-W114 HydrophobicContact SD-CZ3 4.26Å; M86-M116 HydrophobicContact CE-CE 4.48Å; M86-M116 HydrophobicContact SD-CE 3.9Å; M86-P119 HydrophobicContact CE-CG 3.57Å
87	L	93.1	Very high	91.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-39.9	176.6	-72.7	177	0	0	0	111.6	V69 V83 R89 C90 R91 W92 V94 F97	V69-L87 HydrophobicContact CG2-CD1 4.06Å; V83-L87 HydrophobicContact CG1-CD1 3.92Å; V83-L87 HydrophobicContact CG1-CG 4.2Å; V83-L87 WeakPolarHBondContact O-CB 3.36Å; V83-L87 WeakPolarHBondContact O-CG 3.38Å; V83-L87 PolarHBondContact O-N 3.48Å; L87-R89 PolarHBondContact O-N 3.08Å; L87-C90 PolarHBondContact O-N 3.5Å; L87-C90 PolarHBondContact O-SG 3.03Å; L87-C90 VanDerWaalsContact O-SG 3.37Å; L87-R91 PolarHBondContact O-N 3.3Å; L87-R91 VanDerWaalsContact O-N 3.15Å; L87-W92 HydrophobicContact CB-CD2 4.11Å; L87-W92 HydrophobicContact CB-CE3 3.89Å; L87-W92 HydrophobicContact CB-CH2 4.37Å; L87-W92 HydrophobicContact CB-CZ3 4.04Å; L87-W92 HydrophobicContact CD1-CE3 3.95Å; L87-W92 HydrophobicContact CD1-CH2 4.47Å; L87-W92 HydrophobicContact CD1-CZ3 3.69Å; L87-W92 HydrophobicContact CG-CE3 4.47Å; L87-W92 WeakPolarHBondContact O-CA 3.3Å; L87-W92 PolarHBondContact O-N 2.97Å; L87-V94 HydrophobicContact CD2-CB 4.39Å; L87-V94 HydrophobicContact CD2-CG2 3.93Å; L87-F97 HydrophobicContact CD2-CB 4.04Å; L87-F97 HydrophobicContact CD2-CD1 3.9Å; L87-F97 HydrophobicContact CD2-CG 4.16Å; L87-F97 HydrophobicContact CG-CD1 4.49Å
88	E	89.9	Confident	91.6	Very high	27 Å²	27	42.3 Å²	42.3	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-38.5	173.4	-168.5	75.6	-167.9	0	0	111.6	R84 M86 R91 W92 V177 T214	R84-E88 IonicContact NH2-OE2 2.75Å; R84-E88 PolarHBondContact NH2-OE2 3.39Å; R84-E88 PolarHBondContact O-N 3.21Å; M86-E88 VanDerWaalsContact C-N 3.32Å; M86-E88 PolarHBondContact O-N 3.33Å; E88-R91 PolarHBondContact O-N 3.22Å; E88-W92 PolarHBondContact OE2-NE1 2.95Å; E88-V177 HydrophobicContact CB-CG2 3.95Å; E88-V177 HydrophobicContact CG-CG2 3.57Å; E88-T214 WeakPolarHBondContact OE1-CB 3.26Å; E88-T214 PolarHBondContact OE1-OG1 2.98Å
89	R	86.6	Confident	91.7	Very high	146 Å²	146	44.8 Å²	44.8	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-75	-32.8	-175.4	-64.4	-82.5	-177.7	169.6	-0	112.7	F85 M86 L87 R91 W114 M116	F85-R89 HydrophobicContact CE1-CG 4.4Å; F85-R89 WeakPolarHBondContact O-CG 3.44Å; F85-R89 PolarHBondContact O-N 3.03Å; M86-R89 WeakPolarHBondContact O-CB 3.26Å; M86-R89 PolarHBondContact O-N 3.4Å; L87-R89 PolarHBondContact O-N 3.08Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R89-W114 HydrophobicContact CB-CE3 4.48Å; R89-W114 HydrophobicContact CB-CZ3 4.39Å; R89-M116 HydrophobicContact CB-CE 4.05Å; R89-M116 HydrophobicContact CB-SD 3.99Å; R89-M116 HydrophobicContact CG-CE 3.5Å; R89-M116 VanDerWaalsContact CG-CE 3.5Å; R89-M116 HydrophobicContact CG-SD 3.94Å
90	C	86.3	Confident	91.7	Very high	16 Å²	16	43.2 Å²	43.2	11%	0.108	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	14.2	170.7	70.3	0	0	0	0	113.9	M86 L87 W92 D93 W114	M86-C90 PolarHBondContact O-N 2.65Å; L87-C90 PolarHBondContact O-N 3.5Å; L87-C90 PolarHBondContact O-SG 3.03Å; L87-C90 VanDerWaalsContact O-SG 3.37Å; C90-W92 VanDerWaalsContact C-N 3.27Å; C90-W92 PolarHBondContact O-N 3.45Å; C90-D93 PolarHBondContact O-N 3.24Å; C90-D93 PolarHBondContact SG-O 2.91Å; C90-D93 VanDerWaalsContact SG-O 3.35Å; C90-W114 HydrophobicContact CB-CH2 3.7Å; C90-W114 HydrophobicContact CB-CZ2 4.3Å; C90-W114 HydrophobicContact CB-CZ3 4.26Å
91	R	87	Confident	91.6	Very high	194 Å²	194	41.6 Å²	41.6	73%	0.732	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	39.2	-179.6	-54.3	-179.3	178.9	178.2	1.2	113.3	L87 E88 R89 D93 V218	L87-R91 PolarHBondContact O-N 3.3Å; L87-R91 VanDerWaalsContact O-N 3.15Å; E88-R91 PolarHBondContact O-N 3.22Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R91-D93 PolarHBondContact O-N 2.72Å; R91-V218 HydrophobicContact CB-CG1 4.35Å; R91-V218 WeakPolarHBondContact O-CG2 3.32Å
92	W	92.3	Very high	91.6	Very high	21 Å²	21	47.7 Å²	47.7	8%	0.08	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	23.4	178.3	-62.1	83.7	0	0	0	115	M65 V69 R84 L87 E88 C90 V94 F215 V218	M65-W92 HydrophobicContact CE-CH2 4.36Å; M65-W92 HydrophobicContact CG-CE3 4.49Å; M65-W92 HydrophobicContact CG-CH2 3.08Å; M65-W92 HydrophobicContact CG-CZ2 3.6Å; M65-W92 HydrophobicContact CG-CZ3 3.59Å; M65-W92 HydrophobicContact SD-CH2 3.62Å; M65-W92 HydrophobicContact SD-CZ2 3.55Å; M65-W92 VanDerWaalsContact SD-CZ2 3.55Å; V69-W92 HydrophobicContact CG2-CH2 3.75Å; V69-W92 HydrophobicContact CG2-CZ3 3.84Å; R84-W92 HydrophobicContact CG-CH2 4.36Å; L87-W92 HydrophobicContact CB-CD2 4.11Å; L87-W92 HydrophobicContact CB-CE3 3.89Å; L87-W92 HydrophobicContact CB-CH2 4.37Å; L87-W92 HydrophobicContact CB-CZ3 4.04Å; L87-W92 HydrophobicContact CD1-CE3 3.95Å; L87-W92 HydrophobicContact CD1-CH2 4.47Å; L87-W92 HydrophobicContact CD1-CZ3 3.69Å; L87-W92 HydrophobicContact CG-CE3 4.47Å; L87-W92 WeakPolarHBondContact O-CA 3.3Å; L87-W92 PolarHBondContact O-N 2.97Å; E88-W92 PolarHBondContact OE2-NE1 2.95Å; C90-W92 VanDerWaalsContact C-N 3.27Å; C90-W92 PolarHBondContact O-N 3.45Å; W92-V94 PolarHBondContact O-N 2.89Å; W92-V94 VanDerWaalsContact O-N 3.09Å; W92-F215 HydrophobicContact CB-CD2 4.4Å; W92-F215 HydrophobicContact CD2-CB 4.1Å; W92-F215 AromaticContact CD2-CD2 3.57Å; W92-F215 HydrophobicContact CD2-CD2 3.57Å; W92-F215 HydrophobicContact CD2-CE2 4.49Å; W92-F215 HydrophobicContact CD2-CG 4.3Å; W92-F215 AromaticContact CE3-CD2 3.53Å; W92-F215 HydrophobicContact CE3-CD2 3.53Å; W92-F215 HydrophobicContact CE3-CE2 4.05Å; W92-F215 HydrophobicContact CG-CB 4.32Å; W92-F215 AromaticContact CG-CD2 3.96Å; W92-F215 HydrophobicContact CG-CD2 3.96Å; W92-F215 HydrophobicContact CZ2-CB 4.27Å; W92-F215 HydrophobicContact CZ3-CD2 4.05Å; W92-F215 HydrophobicContact CZ3-CE2 4.46Å; W92-V218 HydrophobicContact CB-CG2 3.88Å; W92-V218 HydrophobicContact CG-CG2 4.41Å
93	D	91.5	Very high	91.6	Very high	78 Å²	78	54.1 Å²	54.1	42%	0.417	25%	0.248	S	C	.	.			trans	-78.2	90.6	164.3	-169.9	-21.5	0	0	0	109.3	C90 R91 N95 H96 F97	C90-D93 PolarHBondContact O-N 3.24Å; C90-D93 PolarHBondContact SG-O 2.91Å; C90-D93 VanDerWaalsContact SG-O 3.35Å; R91-D93 PolarHBondContact O-N 2.72Å; D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 PolarHBondContact O-N 3.46Å; D93-N95 PolarHBondContact OD1-N 3.35Å; D93-H96 HydrophobicContact CB-CB 3.83Å; D93-H96 PolarHBondContact O-N 3.17Å; D93-H96 WeakPolarHBondContact OD1-CB 3.22Å; D93-H96 PolarHBondContact OD1-N 2.89Å; D93-H96 WeakPolarHBondContact OD2-CB 3.2Å; D93-F97 PolarHBondContact O-N 3.4Å
94	V	92.3	Very high	91.3	Very high	25 Å²	25	56.5 Å²	56.5	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-40.9	-179.1	-179	0	0	0	0	110.7	A72 L87 W92 F97 L98	A72-V94 HydrophobicContact CB-CG1 4.39Å; L87-V94 HydrophobicContact CD2-CB 4.39Å; L87-V94 HydrophobicContact CD2-CG2 3.93Å; W92-V94 PolarHBondContact O-N 2.89Å; W92-V94 VanDerWaalsContact O-N 3.09Å; V94-F97 PolarHBondContact O-N 3.22Å; V94-L98 HydrophobicContact CG1-CD1 3.94Å; V94-L98 HydrophobicContact CG1-CG 4.21Å; V94-L98 WeakPolarHBondContact O-CB 3.44Å; V94-L98 VanDerWaalsContact O-CG 3.29Å; V94-L98 WeakPolarHBondContact O-CG 3.43Å; V94-L98 PolarHBondContact O-N 3.05Å
95	N	93	Very high	90.8	Very high	121 Å²	121	58.8 Å²	58.8	65%	0.647	29%	0.286	S	S	*	.	H	α-helix	trans	-65.3	-45.2	179.8	-69.6	-39.8	0	0	0	111.1	D93 F97 L98 S99	D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 PolarHBondContact O-N 3.46Å; D93-N95 PolarHBondContact OD1-N 3.35Å; N95-F97 VanDerWaalsContact C-N 3.32Å; N95-F97 PolarHBondContact O-N 3.1Å; N95-L98 PolarHBondContact O-N 3.1Å; N95-S99 WeakPolarHBondContact O-CB 3.17Å; N95-S99 PolarHBondContact O-N 3.32Å; N95-S99 PolarHBondContact O-OG 3.24Å; N95-S99 VanDerWaalsContact O-OG 3.1Å
96	H	92.9	Very high	90.7	Very high	86 Å²	86	61.5 Å²	61.5	40%	0.398	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-40.6	176	179.7	58.3	0	0	0	112.3	D93 S100	D93-H96 HydrophobicContact CB-CB 3.83Å; D93-H96 PolarHBondContact O-N 3.17Å; D93-H96 WeakPolarHBondContact OD1-CB 3.22Å; D93-H96 PolarHBondContact OD1-N 2.89Å; D93-H96 WeakPolarHBondContact OD2-CB 3.2Å; H96-S100 PolarHBondContact CE1-OG 3Å; H96-S100 VanDerWaalsContact CE1-OG 3.3Å; H96-S100 WeakPolarHBondContact O-CB 3.17Å; H96-S100 PolarHBondContact O-N 2.91Å; H96-S100 PolarHBondContact O-OG 3.4Å
97	F	93.2	Very high	90.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-51.5	175.4	169.2	-118.2	0	0	0	111.7	A72 T76 L78 V83 M86 L87 D93 V94 N95 S100 Y101 L110 W114	A72-F97 HydrophobicContact CB-CD1 4.48Å; A72-F97 HydrophobicContact CB-CE1 4.33Å; T76-F97 HydrophobicContact CG2-CE1 3.84Å; T76-F97 HydrophobicContact CG2-CZ 4.08Å; L78-F97 HydrophobicContact CD1-CZ 4.29Å; V83-F97 HydrophobicContact CG1-CE1 4.07Å; M86-F97 HydrophobicContact CB-CD2 3.91Å; M86-F97 HydrophobicContact CB-CE2 3.5Å; M86-F97 VanDerWaalsContact CB-CE2 3.5Å; M86-F97 HydrophobicContact CB-CZ 4.02Å; M86-F97 HydrophobicContact CG-CE2 3.91Å; M86-F97 HydrophobicContact CG-CZ 4.43Å; L87-F97 HydrophobicContact CD2-CB 4.04Å; L87-F97 HydrophobicContact CD2-CD1 3.9Å; L87-F97 HydrophobicContact CD2-CG 4.16Å; L87-F97 HydrophobicContact CG-CD1 4.49Å; D93-F97 PolarHBondContact O-N 3.4Å; V94-F97 PolarHBondContact O-N 3.22Å; N95-F97 VanDerWaalsContact C-N 3.32Å; N95-F97 PolarHBondContact O-N 3.1Å; F97-S100 PolarHBondContact O-N 2.97Å; F97-Y101 WeakPolarHBondContact O-CB 3.39Å; F97-Y101 PolarHBondContact O-N 3.45Å; F97-L110 HydrophobicContact CD2-CD2 4.11Å; F97-L110 HydrophobicContact CE2-CD2 3.81Å; F97-W114 HydrophobicContact CB-CH2 4.43Å; F97-W114 AromaticContact CD2-CH2 3.86Å; F97-W114 HydrophobicContact CD2-CH2 3.86Å; F97-W114 HydrophobicContact CD2-CZ3 4.42Å
98	L	93.8	Very high	90.4	Very high	24 Å²	24	65.7 Å²	65.7	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-50	-179	-68.4	179	0	0	0	111.3	A72 V75 T76 V94 N95 S100 Y101 Y102	A72-L98 HydrophobicContact CB-CD2 4.4Å; V75-L98 HydrophobicContact CB-CD2 4.16Å; V75-L98 HydrophobicContact CG1-CD1 4.49Å; V75-L98 HydrophobicContact CG1-CD2 3.83Å; T76-L98 HydrophobicContact CG2-CD2 3.61Å; V94-L98 HydrophobicContact CG1-CD1 3.94Å; V94-L98 HydrophobicContact CG1-CG 4.21Å; V94-L98 WeakPolarHBondContact O-CB 3.44Å; V94-L98 VanDerWaalsContact O-CG 3.29Å; V94-L98 WeakPolarHBondContact O-CG 3.43Å; V94-L98 PolarHBondContact O-N 3.05Å; N95-L98 PolarHBondContact O-N 3.1Å; L98-S100 PolarHBondContact O-N 3.15Å; L98-Y101 PolarHBondContact O-N 2.89Å; L98-Y102 WeakPolarHBondContact O-CD2 3.32Å; L98-Y102 PolarHBondContact O-N 3.14Å
99	S	93.4	Very high	90.4	Very high	66 Å²	66	65.5 Å²	65.5	46%	0.462	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-46.2	177.3	-62	0	0	0	0	111.6	N95 Y101 Y102 E103	N95-S99 WeakPolarHBondContact O-CB 3.17Å; N95-S99 PolarHBondContact O-N 3.32Å; N95-S99 PolarHBondContact O-OG 3.24Å; N95-S99 VanDerWaalsContact O-OG 3.1Å; S99-Y101 VanDerWaalsContact C-N 3.33Å; S99-Y101 PolarHBondContact O-N 3.49Å; S99-Y102 PolarHBondContact O-N 2.68Å; S99-E103 WeakPolarHBondContact O-CB 3.45Å; S99-E103 VanDerWaalsContact O-CG 3.28Å; S99-E103 WeakPolarHBondContact O-CG 3.37Å; S99-E103 PolarHBondContact O-N 2.94Å
100	S	92	Very high	90.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-37	178.3	-62.7	0	0	0	0	112.4	H96 F97 L98 N104	H96-S100 PolarHBondContact CE1-OG 3Å; H96-S100 VanDerWaalsContact CE1-OG 3.3Å; H96-S100 WeakPolarHBondContact O-CB 3.17Å; H96-S100 PolarHBondContact O-N 2.91Å; H96-S100 PolarHBondContact O-OG 3.4Å; F97-S100 PolarHBondContact O-N 2.97Å; L98-S100 PolarHBondContact O-N 3.15Å; S100-N104 PolarHBondContact O-N 3.35Å; S100-N104 PolarHBondContact O-ND2 3.32Å
101	Y	92.4	Very high	90.6	Very high	34 Å²	34	57.9 Å²	57.9	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-47.3	177.7	-179.3	-107.4	0	0	0	111.4	T76 L78 F97 L98 S99 N104 G105 I107 L110	T76-Y101 HydrophobicContact CG2-CD1 3.58Å; T76-Y101 HydrophobicContact CG2-CE1 3.86Å; T76-Y101 HydrophobicContact CG2-CG 4.06Å; T76-Y101 PolarHBondContact O-OH 3.46Å; L78-Y101 HydrophobicContact CD1-CD2 4.19Å; L78-Y101 HydrophobicContact CD1-CE2 3.68Å; L78-Y101 HydrophobicContact CD2-CE2 4.37Å; L78-Y101 HydrophobicContact CG-CE2 4.2Å; F97-Y101 WeakPolarHBondContact O-CB 3.39Å; F97-Y101 PolarHBondContact O-N 3.45Å; L98-Y101 PolarHBondContact O-N 2.89Å; S99-Y101 VanDerWaalsContact C-N 3.33Å; S99-Y101 PolarHBondContact O-N 3.49Å; Y101-N104 PolarHBondContact O-N 3.46Å; Y101-G105 PolarHBondContact O-N 3Å; Y101-I107 HydrophobicContact CE2-CB 4.49Å; Y101-L110 HydrophobicContact CD2-CD2 4.17Å
102	Y	91.7	Very high	90.6	Very high	144 Å²	144	57.4 Å²	57.4	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-68.3	-35.3	178.9	-75.9	-67.8	0	0	0	113.4	V75 L98 S99 N104	V75-Y102 HydrophobicContact CG1-CE2 3.87Å; V75-Y102 WeakPolarHBondContact CG1-OH 3.45Å; V75-Y102 PolarHBondContact O-OH 3.42Å; L98-Y102 WeakPolarHBondContact O-CD2 3.32Å; L98-Y102 PolarHBondContact O-N 3.14Å; S99-Y102 PolarHBondContact O-N 2.68Å; Y102-N104 VanDerWaalsContact C-N 3.3Å; Y102-N104 PolarHBondContact O-N 3.16Å
103	E	91.2	Very high	90.4	Very high	136 Å²	136	61.1 Å²	61.1	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-61.6	-36.1	173.9	-77.7	171.2	-169.7	0	0	113.1	S99 K113	S99-E103 WeakPolarHBondContact O-CB 3.45Å; S99-E103 VanDerWaalsContact O-CG 3.28Å; S99-E103 WeakPolarHBondContact O-CG 3.37Å; S99-E103 PolarHBondContact O-N 2.94Å; E103-K113 IonicContact OE2-NZ 2.88Å; E103-K113 PolarHBondContact OE2-NZ 3.21Å
104	N	89.2	Confident	90.1	Very high	50 Å²	50	59.8 Å²	59.8	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-96.2	-14.4	-175	-69.2	-77.7	0	0	0	113.5	S100 Y101 Y102 T106 A109 L110 K113	S100-N104 PolarHBondContact O-N 3.35Å; S100-N104 PolarHBondContact O-ND2 3.32Å; Y101-N104 PolarHBondContact O-N 3.46Å; Y102-N104 VanDerWaalsContact C-N 3.3Å; Y102-N104 PolarHBondContact O-N 3.16Å; N104-T106 PolarHBondContact O-N 2.98Å; N104-A109 HydrophobicContact CB-CB 3.88Å; N104-A109 WeakPolarHBondContact O-CB 3.46Å; N104-L110 HydrophobicContact CB-CB 4.49Å; N104-K113 VanDerWaalsContact ND2-CD 3.26Å; N104-K113 WeakPolarHBondContact ND2-CD 2.98Å
105	G	83.2	Confident	89.6	Confident	54 Å²	54	66.1 Å²	66.1	56%	0.557	34%	0.336	S	S	*	.			trans	71.3	-20.9	174.5	0	0	0	0	0	116.4	Y101	Y101-G105 PolarHBondContact O-N 3Å
106	T	88.8	Confident	89	Confident	69 Å²	69	62.1 Å²	62.1	42%	0.423	31%	0.314	S	S	.	.	S	Bend	trans	-142.3	153.1	179.5	62.7	0	0	0	0	112.4	N104 D108 A109 L110	N104-T106 PolarHBondContact O-N 2.98Å; T106-D108 VanDerWaalsContact C-N 3.27Å; T106-D108 PolarHBondContact O-N 3.5Å; T106-A109 PolarHBondContact O-N 3.44Å; T106-A109 VanDerWaalsContact OG1-CB 3.27Å; T106-A109 WeakPolarHBondContact OG1-CB 3.4Å; T106-A109 PolarHBondContact OG1-N 3.25Å; T106-L110 PolarHBondContact O-N 2.91Å
107	I	88.2	Confident	88.4	Confident	17 Å²	17	66.4 Å²	66.4	9%	0.087	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-35.2	175.9	-164.9	57.4	0	0	0	112.1	L78 V82 M86 Y101 L110 C111 M120	L78-I107 HydrophobicContact CD1-CD1 3.67Å; L78-I107 HydrophobicContact CD1-CG1 4.32Å; L78-I107 HydrophobicContact CD2-CB 4.18Å; L78-I107 HydrophobicContact CD2-CG1 4.41Å; V82-I107 HydrophobicContact CG1-CD1 4.47Å; M86-I107 HydrophobicContact CE-CD1 3.51Å; M86-I107 HydrophobicContact CE-CG1 4.07Å; M86-I107 HydrophobicContact CG-CD1 4.28Å; M86-I107 HydrophobicContact SD-CD1 4.48Å; Y101-I107 HydrophobicContact CE2-CB 4.49Å; I107-L110 HydrophobicContact CD1-CD2 4.34Å; I107-L110 PolarHBondContact O-N 3.35Å; I107-C111 WeakPolarHBondContact O-CB 3.37Å; I107-C111 PolarHBondContact O-N 3.09Å; I107-C111 PolarHBondContact O-SG 3.02Å; I107-M120 HydrophobicContact CG2-SD 4.45Å
108	D	89.4	Confident	88	Confident	70 Å²	70	67.5 Å²	67.5	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-42.2	176.2	-73.9	-71.9	0	0	0	112.9	T106 R112 N118	T106-D108 VanDerWaalsContact C-N 3.27Å; T106-D108 PolarHBondContact O-N 3.5Å; D108-R112 WeakPolarHBondContact O-CG 3.48Å; D108-R112 PolarHBondContact O-N 3.49Å; D108-R112 PolarHBondContact O-NE 3.48Å; D108-N118 WeakPolarHBondContact OD1-CB 3.24Å; D108-N118 PolarHBondContact OD1-ND2 3.44Å; D108-N118 PolarHBondContact OD2-ND2 3.44Å
109	A	89.5	Confident	87.5	Confident	24 Å²	24	66.5 Å²	66.5	20%	0.198	33%	0.327	C	S	.	.	H	α-helix	trans	-68.5	-41.4	177.1	0	0	0	0	0	111.1	N104 T106 R112 K113	N104-A109 HydrophobicContact CB-CB 3.88Å; N104-A109 WeakPolarHBondContact O-CB 3.46Å; T106-A109 PolarHBondContact O-N 3.44Å; T106-A109 VanDerWaalsContact OG1-CB 3.27Å; T106-A109 WeakPolarHBondContact OG1-CB 3.4Å; T106-A109 PolarHBondContact OG1-N 3.25Å; A109-R112 PolarHBondContact O-N 3.24Å; A109-K113 PolarHBondContact O-N 3.4Å
110	L	89.7	Confident	87	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-46	174.6	-177.3	62.6	0	0	0	111.9	F97 Y101 N104 T106 I107 R112 K113 W114	F97-L110 HydrophobicContact CD2-CD2 4.11Å; F97-L110 HydrophobicContact CE2-CD2 3.81Å; Y101-L110 HydrophobicContact CD2-CD2 4.17Å; N104-L110 HydrophobicContact CB-CB 4.49Å; T106-L110 PolarHBondContact O-N 2.91Å; I107-L110 HydrophobicContact CD1-CD2 4.34Å; I107-L110 PolarHBondContact O-N 3.35Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 2.97Å; L110-K113 WeakPolarHBondContact O-CB 3.31Å; L110-K113 PolarHBondContact O-N 3.07Å; L110-W114 HydrophobicContact CD1-CD2 4.07Å; L110-W114 HydrophobicContact CD1-CG 4.45Å; L110-W114 HydrophobicContact CD1-CZ2 3.89Å; L110-W114 HydrophobicContact CD2-CH2 4.49Å; L110-W114 HydrophobicContact CG-CD2 4.3Å; L110-W114 PolarHBondContact O-N 3.18Å
111	C	88.1	Confident	86.4	Confident	2 Å²	2	69 Å²	69	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-41.7	177.1	-70.5	0	0	0	0	111.5	M86 I107 W114 N115 M116 N118	M86-C111 WeakPolarHBondContact CE-SG 3.49Å; I107-C111 WeakPolarHBondContact O-CB 3.37Å; I107-C111 PolarHBondContact O-N 3.09Å; I107-C111 PolarHBondContact O-SG 3.02Å; C111-W114 CarbonylContact O-C 3.51Å; C111-W114 PolarHBondContact O-N 2.84Å; C111-N115 PolarHBondContact O-N 3.29Å; C111-N115 VanDerWaalsContact O-N 3.08Å; C111-M116 CarbonylContact C-O 3.57Å; C111-M116 HydrophobicContact CB-CB 4.46Å; C111-M116 WeakPolarHBondContact CB-O 3.49Å; C111-M116 PolarHBondContact O-N 3.3Å; C111-N118 HydrophobicContact CB-CB 4.43Å
112	R	87.8	Confident	85.2	Confident	183 Å²	183	76.2 Å²	76.2	69%	0.691	37%	0.374	S	S	*	.	H	α-helix	trans	-61.2	-46.1	173.5	-78.9	-179.1	-99.1	179.2	-9.8	112.1	D108 A109 L110 W114 N115	D108-R112 WeakPolarHBondContact O-CG 3.48Å; D108-R112 PolarHBondContact O-N 3.49Å; D108-R112 PolarHBondContact O-NE 3.48Å; A109-R112 PolarHBondContact O-N 3.24Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 2.97Å; R112-W114 PolarHBondContact O-N 3.44Å; R112-N115 PolarHBondContact O-N 2.85Å; R112-N115 VanDerWaalsContact O-N 3.12Å
113	K	86.7	Confident	83.6	Confident	100 Å²	100	71.2 Å²	71.2	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-57.8	-38.1	175.8	-176.6	179.9	178.7	-177.7	0	111.9	E103 N104 A109 L110 N115	E103-K113 IonicContact OE2-NZ 2.88Å; E103-K113 PolarHBondContact OE2-NZ 3.21Å; N104-K113 VanDerWaalsContact ND2-CD 3.26Å; N104-K113 WeakPolarHBondContact ND2-CD 2.98Å; A109-K113 PolarHBondContact O-N 3.4Å; L110-K113 WeakPolarHBondContact O-CB 3.31Å; L110-K113 PolarHBondContact O-N 3.07Å; K113-N115 VanDerWaalsContact C-N 3.35Å
114	W	85.9	Confident	82	Confident	49 Å²	49	72.8 Å²	72.8	19%	0.186	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	7.7	-179.4	-67.4	0.3	0	0	0	114	M86 R89 C90 F97 L110 C111 R112 M116	M86-W114 HydrophobicContact CB-CZ3 4.36Å; M86-W114 HydrophobicContact SD-CE3 4.4Å; M86-W114 HydrophobicContact SD-CZ3 4.26Å; R89-W114 HydrophobicContact CB-CE3 4.48Å; R89-W114 HydrophobicContact CB-CZ3 4.39Å; C90-W114 HydrophobicContact CB-CH2 3.7Å; C90-W114 HydrophobicContact CB-CZ2 4.3Å; C90-W114 HydrophobicContact CB-CZ3 4.26Å; F97-W114 HydrophobicContact CB-CH2 4.43Å; F97-W114 AromaticContact CD2-CH2 3.86Å; F97-W114 HydrophobicContact CD2-CH2 3.86Å; F97-W114 HydrophobicContact CD2-CZ3 4.42Å; L110-W114 HydrophobicContact CD1-CD2 4.07Å; L110-W114 HydrophobicContact CD1-CG 4.45Å; L110-W114 HydrophobicContact CD1-CZ2 3.89Å; L110-W114 HydrophobicContact CD2-CH2 4.49Å; L110-W114 HydrophobicContact CG-CD2 4.3Å; L110-W114 PolarHBondContact O-N 3.18Å; C111-W114 CarbonylContact O-C 3.51Å; C111-W114 PolarHBondContact O-N 2.84Å; R112-W114 PolarHBondContact O-N 3.44Å; W114-M116 VanDerWaalsContact C-N 3.31Å; W114-M116 HydrophobicContact CB-CG 4.29Å; W114-M116 HydrophobicContact CB-SD 3.86Å; W114-M116 HydrophobicContact CE3-SD 4.08Å; W114-M116 WeakPolarHBondContact O-CG 3.48Å; W114-M116 PolarHBondContact O-N 3.14Å
115	N	82.7	Confident	80.4	Confident	159 Å²	159	74.6 Å²	74.6	85%	0.85	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	45.4	-176.1	-69.6	-30.8	0	0	0	113.2	C111 R112 K113	C111-N115 PolarHBondContact O-N 3.29Å; C111-N115 VanDerWaalsContact O-N 3.08Å; R112-N115 PolarHBondContact O-N 2.85Å; R112-N115 VanDerWaalsContact O-N 3.12Å; K113-N115 VanDerWaalsContact C-N 3.35Å
116	M	80.4	Confident	79	Confident	36 Å²	36	80.1 Å²	80.1	18%	0.177	40%	0.397	C	S	.	.			trans	-123.5	152.5	-178.1	-70.4	168.6	52.9	0	0	111.1	F85 M86 R89 C111 W114	F85-M116 HydrophobicContact CD1-CE 4.13Å; F85-M116 HydrophobicContact CE1-CE 3.33Å; F85-M116 HydrophobicContact CZ-CE 4.05Å; M86-M116 HydrophobicContact CE-CE 4.48Å; M86-M116 HydrophobicContact SD-CE 3.9Å; R89-M116 HydrophobicContact CB-CE 4.05Å; R89-M116 HydrophobicContact CB-SD 3.99Å; R89-M116 HydrophobicContact CG-CE 3.5Å; R89-M116 VanDerWaalsContact CG-CE 3.5Å; R89-M116 HydrophobicContact CG-SD 3.94Å; C111-M116 CarbonylContact C-O 3.57Å; C111-M116 HydrophobicContact CB-CB 4.46Å; C111-M116 WeakPolarHBondContact CB-O 3.49Å; C111-M116 PolarHBondContact O-N 3.3Å; W114-M116 VanDerWaalsContact C-N 3.31Å; W114-M116 HydrophobicContact CB-CG 4.29Å; W114-M116 HydrophobicContact CB-SD 3.86Å; W114-M116 HydrophobicContact CE3-SD 4.08Å; W114-M116 WeakPolarHBondContact O-CG 3.48Å; W114-M116 PolarHBondContact O-N 3.14Å
117	R	80.2	Confident	77.4	Confident	177 Å²	177	79.6 Å²	79.6	67%	0.668	39%	0.391	S	S	*	.			trans	-75.1	139.5	168	-69.4	-177	-178.5	-159.9	2.7	109.2	P119 N186	R117-P119 VanDerWaalsContact O-CD 3.25Å; R117-P119 WeakPolarHBondContact O-CD 3.28Å; R117-P119 VanDerWaalsContact O-N 3.15Å; R117-N186 WeakPolarHBondContact CD-ND2 3.25Å
118	N	84.9	Confident	75.7	Confident	23 Å²	23	87.5 Å²	87.5	12%	0.123	43%	0.428	C	S	.	.			trans	-61.5	116.2	173	179.6	1.8	0	0	0	109.2	D108 C111 M120 A121	D108-N118 WeakPolarHBondContact OD1-CB 3.24Å; D108-N118 PolarHBondContact OD1-ND2 3.44Å; D108-N118 PolarHBondContact OD2-ND2 3.44Å; C111-N118 HydrophobicContact CB-CB 4.43Å; N118-M120 PolarHBondContact O-N 3.32Å; N118-M120 WeakPolarHBondContact OD1-CB 3.45Å; N118-M120 PolarHBondContact OD1-N 2.96Å; N118-A121 HydrophobicContact CB-CB 4.21Å; N118-A121 WeakPolarHBondContact O-CB 3.41Å; N118-A121 PolarHBondContact O-N 3.23Å
119	P	82	Confident	74.5	Confident	2 Å²	2	87.1 Å²	87.1	1%	0.013	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.5	178.8	23.6	-32.5	0	0	0	112.9	V82 F85 M86 R117 W187 P188	V82-P119 HydrophobicContact CG1-CG 3.84Å; V82-P119 HydrophobicContact CG2-CG 4.47Å; F85-P119 HydrophobicContact CD1-CG 4.32Å; F85-P119 HydrophobicContact CE1-CG 4.48Å; M86-P119 HydrophobicContact CE-CG 3.57Å; R117-P119 VanDerWaalsContact O-CD 3.25Å; R117-P119 WeakPolarHBondContact O-CD 3.28Å; R117-P119 VanDerWaalsContact O-N 3.15Å; P119-W187 WeakPolarHBondContact O-CA 3.06Å; P119-P188 HydrophobicContact CB-CG 4.04Å
120	M	84	Confident	73.9	Confident	59 Å²	59	90.8 Å²	90.8	29%	0.291	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.1	-179.3	-62.4	178.8	64.9	0	0	114.2	L78 P79 V82 I107 N118 K122 W187	L78-M120 HydrophobicContact CD2-SD 4.05Å; P79-M120 HydrophobicContact CG-CE 4.19Å; P79-M120 HydrophobicContact CG-SD 4.49Å; V82-M120 HydrophobicContact CG1-CG 4.32Å; V82-M120 HydrophobicContact CG1-SD 4.21Å; V82-M120 HydrophobicContact CG2-CG 3.61Å; V82-M120 HydrophobicContact CG2-SD 4.01Å; I107-M120 HydrophobicContact CG2-SD 4.45Å; N118-M120 PolarHBondContact O-N 3.32Å; N118-M120 WeakPolarHBondContact OD1-CB 3.45Å; N118-M120 PolarHBondContact OD1-N 2.96Å; M120-K122 PolarHBondContact O-N 2.9Å; M120-W187 VanDerWaalsContact CA-CZ3 3.47Å; M120-W187 HydrophobicContact CB-CH2 4.41Å; M120-W187 HydrophobicContact CB-CZ3 3.93Å; M120-W187 HydrophobicContact CG-CH2 4.04Å; M120-W187 HydrophobicContact CG-CZ3 4Å
121	A	78.2	Confident	73.7	Confident	60 Å²	60	94 Å²	94	50%	0.496	46%	0.464	S	S	.	.			trans	-60.9	116	177.1	0	0	0	0	0	109.2	N118 S123	N118-A121 HydrophobicContact CB-CB 4.21Å; N118-A121 WeakPolarHBondContact O-CB 3.41Å; N118-A121 PolarHBondContact O-N 3.23Å; A121-S123 PolarHBondContact O-N 3.49Å
122	K	66.7	Low	73.7	Confident	187 Å²	187	93.9 Å²	93.9	81%	0.813	46%	0.463	S	S	*	.			trans	-63.6	132.9	175.6	-68.5	-174.9	178.7	-178.5	0	108.5	M120	M120-K122 PolarHBondContact O-N 2.9Å
123	S	59.5	Low	73.6	Confident	39 Å²	39	87 Å²	87	27%	0.273	45%	0.449	S	S	.	.			trans	-78.1	134.6	162.5	51.9	0	0	0	0	108.1	A121 V125 H154	A121-S123 PolarHBondContact O-N 3.49Å; S123-V125 PolarHBondContact O-N 3.25Å; S123-H154 PolarHBondContact OG-CE1 3.01Å
124	D	57	Low	73.8	Confident	168 Å²	168	85.7 Å²	85.7	90%	0.898	45%	0.446	S	S	*	.			trans	-66.9	21.1	177.7	-68.8	-37.5	0	0	0	114.4	Q126	D124-Q126 PolarHBondContact O-N 3.17Å
125	V	55.5	Low	74.1	Confident	89 Å²	89	86.1 Å²	86.1	54%	0.539	46%	0.456	S	S	.	.			trans	-87.2	100.7	-176.5	-174.1	0	0	0	0	109.2	S123 L127	S123-V125 PolarHBondContact O-N 3.25Å; V125-L127 HydrophobicContact CB-CD1 4.47Å; V125-L127 HydrophobicContact CG1-CD1 3.9Å; V125-L127 HydrophobicContact CG1-CG 4.36Å; V125-L127 PolarHBondContact O-N 3.41Å
126	Q	53.5	Low	74.3	Confident	169 Å²	169	86.8 Å²	86.8	79%	0.79	45%	0.448	S	S	*	.			trans	-67.6	107.9	163.2	-70.4	176.2	-23.4	0	0	108.6	D124 E128	D124-Q126 PolarHBondContact O-N 3.17Å; Q126-E128 PolarHBondContact O-N 2.94Å
127	L	55.1	Low	74.5	Confident	58 Å²	58	86.7 Å²	86.7	30%	0.304	45%	0.452	S	S	.	.			trans	-85.5	95.5	172	-86.7	104.5	0	0	0	110.1	V125 G153	V125-L127 HydrophobicContact CB-CD1 4.47Å; V125-L127 HydrophobicContact CG1-CD1 3.9Å; V125-L127 HydrophobicContact CG1-CG 4.36Å; V125-L127 PolarHBondContact O-N 3.41Å; L127-G153 WeakPolarHBondContact CD1-O 3.45Å
128	E	54	Low	74.1	Confident	183 Å²	183	80 Å²	80	86%	0.855	43%	0.433	S	S	*	.			trans	-95.8	15.1	172.8	-71.3	-169.8	154.6	0	0	113.6	Q126	Q126-E128 PolarHBondContact O-N 2.94Å
129	S	64	Low	72.9	Confident	62 Å²	62	83.9 Å²	83.9	43%	0.434	45%	0.449	S	S	.	.			trans	-108.6	130.5	-178.6	69.9	0	0	0	0	113.3	L131	S129-L131 PolarHBondContact O-N 3.43Å
130	D	76.2	Confident	71.7	Confident	102 Å²	102	88.8 Å²	88.8	55%	0.545	48%	0.483	S	S	.	.	S	Bend	trans	-69.8	17	168	-87.2	-36.1	0	0	0	114.2	K139	D130-K139 WeakPolarHBondContact OD1-CE 3.48Å; D130-K139 IonicContact OD1-NZ 3.87Å; D130-K139 PolarHBondContact OD1-NZ 2.91Å
131	L	85.6	Confident	70.1	Confident	67 Å²	67	91.5 Å²	91.5	35%	0.351	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-108.4	147.6	-176.2	-55.6	-179.9	0	0	0	111.1	S129 G133	S129-L131 PolarHBondContact O-N 3.43Å; L131-G133 PolarHBondContact O-N 2.94Å
132	C	88.9	Confident	68.6	Low	0 Å²	0	91.5 Å²	91.5	0%	0	49%	0.493	C	S	.	.			trans	-64.6	128.9	171.9	176.5	0	0	0	0	111.4	I134 C135 Y136 A137 L147 C157	C132-I134 PolarHBondContact O-N 3.33Å; C132-C135 VanDerWaalsContact CB-SG 3.51Å; C132-Y136 WeakPolarHBondContact O-CA 3.4Å; C132-Y136 PolarHBondContact O-N 2.97Å; C132-A137 PolarHBondContact N-O 3.19Å; C132-A137 VanDerWaalsContact N-O 3.07Å; C132-L147 HydrophobicContact CB-CD2 3.82Å; C132-C157 HydrophobicContact CB-CB 4.2Å; C132-C157 PolarHBondContact SG-N 2.8Å
133	G	85.7	Confident	67.5	Low	37 Å²	37	89 Å²	89	38%	0.381	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	2.5	179.4	0	0	0	0	0	116.6	L131 Y155	L131-G133 PolarHBondContact O-N 2.94Å; G133-Y155 PolarHBondContact N-O 3.47Å
134	I	90.3	Very high	67	Low	73 Å²	73	92.5 Å²	92.5	37%	0.374	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-57.2	176.6	-70.8	160.8	0	0	0	110.9	C132 F156 C160 P181	C132-I134 PolarHBondContact O-N 3.33Å; I134-F156 HydrophobicContact CB-CD1 4.18Å; I134-F156 HydrophobicContact CD1-CB 4.29Å; I134-F156 HydrophobicContact CD1-CD1 3.38Å; I134-F156 HydrophobicContact CD1-CE1 3.8Å; I134-F156 HydrophobicContact CD1-CG 3.86Å; I134-F156 HydrophobicContact CG1-CD1 3.45Å; I134-F156 VanDerWaalsContact CG1-CD1 3.45Å; I134-F156 HydrophobicContact CG1-CE1 3.66Å; I134-F156 HydrophobicContact CG1-CG 4.4Å; I134-C160 HydrophobicContact CB-CB 4.04Å; I134-C160 HydrophobicContact CD1-CB 3.79Å; I134-C160 HydrophobicContact CG2-CB 4.12Å; I134-P181 HydrophobicContact CD1-CB 4.13Å; I134-P181 HydrophobicContact CD1-CG 3.92Å
135	C	91.1	Very high	66.8	Low	59 Å²	59	85.4 Å²	85.4	40%	0.399	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-4.7	-176	67.6	0	0	0	0	114.3	C132 A137 C160	C132-C135 VanDerWaalsContact CB-SG 3.51Å; C135-A137 PolarHBondContact O-N 3.44Å; C135-A137 VanDerWaalsContact SG-CB 3.54Å; C135-C160 VanDerWaalsContact SG-SG 3.66Å
136	Y	87.3	Confident	67.4	Low	172 Å²	172	84.1 Å²	84.1	68%	0.675	48%	0.482	S	S	*	.			trans	56.7	15.5	-176.8	-61.1	-90.4	0	0	0	115	C132	C132-Y136 WeakPolarHBondContact O-CA 3.4Å; C132-Y136 PolarHBondContact O-N 2.97Å
137	A	84.2	Confident	68.3	Low	34 Å²	34	77.2 Å²	77.2	28%	0.281	45%	0.45	S	S	.	.			trans	-72.6	137	176	0	0	0	0	0	111.5	C132 C135	C132-A137 PolarHBondContact N-O 3.19Å; C132-A137 VanDerWaalsContact N-O 3.07Å; C135-A137 PolarHBondContact O-N 3.44Å; C135-A137 VanDerWaalsContact SG-CB 3.54Å
138	S	71.4	Confident	69.2	Low	38 Å²	38	79.6 Å²	79.6	27%	0.266	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-76.6	148.7	173.5	164	0	0	0	0	111.9	S140 V141	S138-S140 PolarHBondContact O-N 3.32Å; S138-S140 PolarHBondContact OG-N 3.45Å; S138-S140 PolarHBondContact OG-OG 3.35Å; S138-V141 PolarHBondContact O-N 2.78Å
139	K	61.1	Low	70.1	Confident	104 Å²	104	72.2 Å²	72.2	45%	0.452	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-27.1	168.6	-69.3	174.3	-178.6	162.2	0	113.2	D130 V141 L147	D130-K139 WeakPolarHBondContact OD1-CE 3.48Å; D130-K139 IonicContact OD1-NZ 3.87Å; D130-K139 PolarHBondContact OD1-NZ 2.91Å; K139-V141 PolarHBondContact O-N 3.01Å; K139-L147 HydrophobicContact CG-CG 4.38Å
140	S	56.2	Low	70.6	Confident	105 Å²	105	70.5 Å²	70.5	73%	0.734	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.2	-175	60.8	0	0	0	0	115.8	S138	S138-S140 PolarHBondContact O-N 3.32Å; S138-S140 PolarHBondContact OG-N 3.45Å; S138-S140 PolarHBondContact OG-OG 3.35Å
141	V	51.4	Low	70.7	Confident	115 Å²	115	72.6 Å²	72.6	70%	0.697	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-17.1	-172.5	-176.2	0	0	0	0	113.2	S138 K139	S138-V141 PolarHBondContact O-N 2.78Å; K139-V141 PolarHBondContact O-N 3.01Å
142	Q	45.1	Very low	70.5	Confident	61 Å²	61	70.3 Å²	70.3	29%	0.285	41%	0.412	S	S	.	.	S	Bend	trans	-128.4	103.8	176	-68.2	-175.4	-1.7	0	0	108.6	S144 S145	Q142-S144 PolarHBondContact O-N 2.81Å; Q142-S145 PolarHBondContact O-N 3.1Å
143	S	45.3	Very low	70.2	Confident	134 Å²	134	71.5 Å²	71.5	94%	0.937	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	22.7	-171.1	49.3	0	0	0	0	116.6
144	S	47.7	Very low	70.2	Confident	112 Å²	112	70.4 Å²	70.4	78%	0.783	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-161.7	15.4	176.3	62.6	0	0	0	0	115.3	Q142	Q142-S144 PolarHBondContact O-N 2.81Å
145	S	53.5	Low	70.1	Confident	19 Å²	19	72 Å²	72	13%	0.133	41%	0.411	C	S	.	.			trans	-110.8	86.3	-176.5	66.9	0	0	0	0	112.8	Q142	Q142-S145 PolarHBondContact O-N 3.1Å
146	S	67.5	Low	70	Confident	63 Å²	63	69.4 Å²	69.4	44%	0.441	39%	0.393	S	S	.	.			trans	-61.7	143.7	163.5	-41	0	0	0	0	109.2	Y148	S146-Y148 VanDerWaalsContact CB-CZ 3.46Å; S146-Y148 WeakPolarHBondContact CB-OH 3.18Å; S146-Y148 WeakPolarHBondContact O-CD2 3.44Å; S146-Y148 WeakPolarHBondContact O-CE2 3.45Å; S146-Y148 PolarHBondContact OG-OH 3.26Å
147	L	72.9	Confident	70.1	Confident	24 Å²	24	61.3 Å²	61.3	13%	0.126	36%	0.362	C	S	.	.			trans	-76.8	130.5	171.8	-63.1	176	0	0	0	108.2	C132 K139 C157	C132-L147 HydrophobicContact CB-CD2 3.82Å; K139-L147 HydrophobicContact CG-CG 4.38Å; L147-C157 HydrophobicContact CD2-CB 4.17Å
148	Y	74.7	Confident	70.4	Confident	108 Å²	108	65.4 Å²	65.4	42%	0.424	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-124.6	141.5	-179.8	-56.2	-84.5	0	0	0	109.7	S146 F156 W161	S146-Y148 VanDerWaalsContact CB-CZ 3.46Å; S146-Y148 WeakPolarHBondContact CB-OH 3.18Å; S146-Y148 WeakPolarHBondContact O-CD2 3.44Å; S146-Y148 WeakPolarHBondContact O-CE2 3.45Å; S146-Y148 PolarHBondContact OG-OH 3.26Å; Y148-F156 PolarHBondContact N-O 2.99Å; Y148-F156 VanDerWaalsContact N-O 3.08Å; Y148-F156 PolarHBondContact O-N 3.24Å; Y148-W161 PolarHBondContact O-NE1 3.22Å
149	G	72.1	Confident	71.3	Confident	28 Å²	28	68 Å²	68	29%	0.289	38%	0.378	S	S	.	.			trans	-142.7	148.4	-177.1	0	0	0	0	0	111.7	H154	G149-H154 WeakPolarHBondContact CA-O 3.48Å
150	P	73.5	Confident	72.9	Confident	26 Å²	26	63.2 Å²	63.2	17%	0.169	36%	0.358	C	S	.	.			trans	-69.7	179.9	169.1	33.4	-37.4	0	0	0	110.6	C152 G153 H154 L189	P150-C152 VanDerWaalsContact CG-SG 3.57Å; P150-C152 PolarHBondContact O-N 3.44Å; P150-G153 PolarHBondContact O-N 2.95Å; P150-H154 WeakPolarHBondContact CD-O 3.08Å; P150-L189 HydrophobicContact CB-CD2 3.86Å; P150-L189 HydrophobicContact CG-CD2 3.68Å
151	Q	78.6	Confident	74.6	Confident	146 Å²	146	58.3 Å²	58.3	68%	0.682	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-7	-176.8	-65.9	177.6	-4.7	0	0	115	G153 W187	Q151-G153 VanDerWaalsContact C-N 3.27Å; Q151-G153 PolarHBondContact O-N 3.2Å; Q151-W187 HydrophobicContact CB-CH2 3.95Å; Q151-W187 HydrophobicContact CB-CZ2 3.51Å; Q151-W187 HydrophobicContact CG-CZ2 4.29Å; Q151-W187 VanDerWaalsContact OE1-CZ2 3.26Å
152	C	82.9	Confident	76.5	Confident	19 Å²	19	54.8 Å²	54.8	13%	0.128	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.5	171.8	71.1	0	0	0	0	114.3	P150 H154 C180 W187	P150-C152 VanDerWaalsContact CG-SG 3.57Å; P150-C152 PolarHBondContact O-N 3.44Å; C152-H154 PolarHBondContact SG-ND1 3.36Å; C152-C180 VanDerWaalsContact SG-SG 3.6Å; C152-W187 HydrophobicContact CB-CB 3.66Å; C152-W187 HydrophobicContact CB-CD2 4Å; C152-W187 HydrophobicContact CB-CE3 4.04Å; C152-W187 HydrophobicContact CB-CG 3.8Å
153	G	81.9	Confident	78.8	Confident	25 Å²	25	58 Å²	58	26%	0.258	31%	0.314	S	S	.	.			trans	89	1.1	174.7	0	0	0	0	0	115.9	L127 P150 Q151 Y155	L127-G153 WeakPolarHBondContact CD1-O 3.45Å; P150-G153 PolarHBondContact O-N 2.95Å; Q151-G153 VanDerWaalsContact C-N 3.27Å; Q151-G153 PolarHBondContact O-N 3.2Å; G153-Y155 WeakPolarHBondContact O-CD2 3.27Å; G153-Y155 WeakPolarHBondContact O-CE2 3.33Å
154	H	86.3	Confident	81.2	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.06	28%	0.275	C	S	.	.			trans	-86.2	127	175.5	-62.4	105.6	0	0	0	112	S123 G149 P150 C152 F156 A182	S123-H154 PolarHBondContact OG-CE1 3.01Å; G149-H154 WeakPolarHBondContact CA-O 3.48Å; P150-H154 WeakPolarHBondContact CD-O 3.08Å; C152-H154 PolarHBondContact SG-ND1 3.36Å; H154-F156 HydrophobicContact CB-CE2 3.79Å; H154-F156 HydrophobicContact CB-CZ 3.83Å; H154-A182 HydrophobicContact CB-CB 4Å; H154-A182 WeakPolarHBondContact CD2-CB 3.33Å; H154-A182 WeakPolarHBondContact NE2-CB 3.16Å
155	Y	86.5	Confident	83.4	Confident	107 Å²	107	47.6 Å²	47.6	42%	0.42	24%	0.237	S	C	.	.			trans	-113.5	138.6	-176.1	-56.5	-94	0	0	0	113.4	G133 G153	G133-Y155 PolarHBondContact N-O 3.47Å; G153-Y155 WeakPolarHBondContact O-CD2 3.27Å; G153-Y155 WeakPolarHBondContact O-CE2 3.33Å
156	F	90.6	Very high	85.2	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.018	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-136.7	154.9	178.3	-46.4	-81.4	0	0	0	110.7	I134 Y148 H154 C160 W161 P181 A182	I134-F156 HydrophobicContact CB-CD1 4.18Å; I134-F156 HydrophobicContact CD1-CB 4.29Å; I134-F156 HydrophobicContact CD1-CD1 3.38Å; I134-F156 HydrophobicContact CD1-CE1 3.8Å; I134-F156 HydrophobicContact CD1-CG 3.86Å; I134-F156 HydrophobicContact CG1-CD1 3.45Å; I134-F156 VanDerWaalsContact CG1-CD1 3.45Å; I134-F156 HydrophobicContact CG1-CE1 3.66Å; I134-F156 HydrophobicContact CG1-CG 4.4Å; Y148-F156 PolarHBondContact N-O 2.99Å; Y148-F156 VanDerWaalsContact N-O 3.08Å; Y148-F156 PolarHBondContact O-N 3.24Å; H154-F156 HydrophobicContact CB-CE2 3.79Å; H154-F156 HydrophobicContact CB-CZ 3.83Å; F156-C160 HydrophobicContact CB-CB 4.36Å; F156-W161 AromaticContact CD2-CE2 3.7Å; F156-W161 AromaticContact CD2-CH2 3.95Å; F156-W161 HydrophobicContact CD2-CH2 3.95Å; F156-W161 AromaticContact CD2-CZ2 3.41Å; F156-W161 HydrophobicContact CD2-CZ2 3.41Å; F156-W161 VanDerWaalsContact CD2-CZ2 3.41Å; F156-W161 HydrophobicContact CE2-CH2 4.2Å; F156-W161 HydrophobicContact CE2-CZ2 4.01Å; F156-W161 HydrophobicContact CG-CZ2 4.46Å; F156-P181 HydrophobicContact CD2-CG 3.86Å; F156-P181 HydrophobicContact CE1-CG 4.19Å; F156-P181 HydrophobicContact CE2-CG 3.48Å; F156-P181 VanDerWaalsContact CE2-CG 3.48Å; F156-P181 HydrophobicContact CG-CG 4.36Å; F156-P181 HydrophobicContact CZ-CG 3.64Å; F156-A182 HydrophobicContact CZ-CB 4.06Å
157	C	89.7	Confident	86.5	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.02	26%	0.255	C	S	.	.			trans	-72.4	159	174.7	76.9	0	0	0	0	110.8	C132 L147 Q159 C160 W161	C132-C157 HydrophobicContact CB-CB 4.2Å; C132-C157 PolarHBondContact SG-N 2.8Å; L147-C157 HydrophobicContact CD2-CB 4.17Å; C157-Q159 VanDerWaalsContact C-N 3.26Å; C157-Q159 PolarHBondContact O-N 3.06Å; C157-C160 PolarHBondContact O-N 2.62Å; C157-C160 PolarHBondContact SG-N 2.74Å; C157-C160 PolarHBondContact SG-SG 3.01Å; C157-W161 PolarHBondContact O-N 2.99Å; C157-W161 VanDerWaalsContact O-N 3.11Å
158	R	89.7	Confident	87.4	Confident	120 Å²	120	54.5 Å²	54.5	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-54.5	-40.5	179.4	-179.1	172.1	-176.3	146.8	6.6	113.1	W161 Q162	R158-W161 PolarHBondContact O-N 3.49Å; R158-Q162 HydrophobicContact CG-CG 4.44Å; R158-Q162 WeakPolarHBondContact O-CB 3.44Å; R158-Q162 VanDerWaalsContact O-CG 3.29Å; R158-Q162 WeakPolarHBondContact O-CG 3.45Å; R158-Q162 PolarHBondContact O-N 3.15Å
159	Q	91.1	Very high	88.3	Confident	91 Å²	91	49.7 Å²	49.7	43%	0.425	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-43.4	-179.7	-67.5	178.1	-9.8	0	0	111.6	C157 Q162 Q163	C157-Q159 VanDerWaalsContact C-N 3.26Å; C157-Q159 PolarHBondContact O-N 3.06Å; Q159-Q162 WeakPolarHBondContact O-CB 3.47Å; Q159-Q162 PolarHBondContact O-N 3.38Å; Q159-Q163 WeakPolarHBondContact O-CG 3.32Å; Q159-Q163 PolarHBondContact O-N 2.7Å
160	C	93.4	Very high	89.1	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.034	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-38.5	176.9	-68.1	0	0	0	0	112	I134 C135 F156 C157 Q162 Q163 Y164	I134-C160 HydrophobicContact CB-CB 4.04Å; I134-C160 HydrophobicContact CD1-CB 3.79Å; I134-C160 HydrophobicContact CG2-CB 4.12Å; C135-C160 VanDerWaalsContact SG-SG 3.66Å; F156-C160 HydrophobicContact CB-CB 4.36Å; C157-C160 PolarHBondContact O-N 2.62Å; C157-C160 PolarHBondContact SG-N 2.74Å; C157-C160 PolarHBondContact SG-SG 3.01Å; C160-Q162 VanDerWaalsContact C-N 3.35Å; C160-Q163 PolarHBondContact O-N 2.63Å; C160-Y164 WeakPolarHBondContact O-CB 3.44Å; C160-Y164 PolarHBondContact O-N 3.37Å
161	W	92.1	Very high	89.8	Confident	1 Å²	1	54 Å²	54	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-43.2	173	-81.8	121.5	0	0	0	112.6	Y148 F156 C157 R158 Y164 A165 P181 L189 F193 I194 Q197	Y148-W161 PolarHBondContact O-NE1 3.22Å; F156-W161 AromaticContact CD2-CE2 3.7Å; F156-W161 AromaticContact CD2-CH2 3.95Å; F156-W161 HydrophobicContact CD2-CH2 3.95Å; F156-W161 AromaticContact CD2-CZ2 3.41Å; F156-W161 HydrophobicContact CD2-CZ2 3.41Å; F156-W161 VanDerWaalsContact CD2-CZ2 3.41Å; F156-W161 HydrophobicContact CE2-CH2 4.2Å; F156-W161 HydrophobicContact CE2-CZ2 4.01Å; F156-W161 HydrophobicContact CG-CZ2 4.46Å; C157-W161 PolarHBondContact O-N 2.99Å; C157-W161 VanDerWaalsContact O-N 3.11Å; R158-W161 PolarHBondContact O-N 3.49Å; W161-Y164 HydrophobicContact CE3-CD1 4.06Å; W161-Y164 AromaticContact CZ3-CD1 3.99Å; W161-Y164 HydrophobicContact CZ3-CD1 3.99Å; W161-Y164 HydrophobicContact CZ3-CE1 4.26Å; W161-A165 WeakPolarHBondContact O-CB 3.41Å; W161-A165 PolarHBondContact O-N 3.03Å; W161-P181 VanDerWaalsContact CH2-CD 3.49Å; W161-P181 HydrophobicContact CH2-CG 4.09Å; W161-P181 HydrophobicContact CZ3-CG 3.95Å; W161-L189 HydrophobicContact CE3-CD1 4.37Å; W161-L189 HydrophobicContact CH2-CD1 3.79Å; W161-L189 HydrophobicContact CH2-CD2 3.89Å; W161-L189 HydrophobicContact CZ3-CD1 3.36Å; W161-L189 HydrophobicContact CZ3-CD2 4.33Å; W161-F193 AromaticContact CD2-CE1 3.87Å; W161-F193 HydrophobicContact CD2-CE1 3.87Å; W161-F193 HydrophobicContact CD2-CZ 4.04Å; W161-F193 AromaticContact CE2-CE1 3.79Å; W161-F193 AromaticContact CE2-CZ 3.72Å; W161-F193 HydrophobicContact CE3-CE1 4.12Å; W161-F193 HydrophobicContact CG-CE1 4.4Å; W161-F193 HydrophobicContact CG-CZ 4.24Å; W161-F193 HydrophobicContact CH2-CE1 4.23Å; W161-F193 AromaticContact CZ2-CE1 3.95Å; W161-F193 HydrophobicContact CZ2-CE1 3.95Å; W161-F193 HydrophobicContact CZ2-CZ 4.13Å; W161-F193 HydrophobicContact CZ3-CE1 4.32Å; W161-F193 AromaticContact NE1-CZ 3.75Å; W161-I194 HydrophobicContact CE3-CD1 4.42Å; W161-Q197 HydrophobicContact CB-CB 4.42Å; W161-Q197 HydrophobicContact CB-CG 4.06Å
162	Q	92.5	Very high	89.9	Confident	41 Å²	41	48.3 Å²	48.3	19%	0.192	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-47.9	177.3	-76.6	172.4	-15.7	0	0	112.1	R158 Q159 C160 A165 A166 Q197 T199	R158-Q162 HydrophobicContact CG-CG 4.44Å; R158-Q162 WeakPolarHBondContact O-CB 3.44Å; R158-Q162 VanDerWaalsContact O-CG 3.29Å; R158-Q162 WeakPolarHBondContact O-CG 3.45Å; R158-Q162 PolarHBondContact O-N 3.15Å; Q159-Q162 WeakPolarHBondContact O-CB 3.47Å; Q159-Q162 PolarHBondContact O-N 3.38Å; C160-Q162 VanDerWaalsContact C-N 3.35Å; Q162-A165 PolarHBondContact O-N 3.04Å; Q162-A166 VanDerWaalsContact O-CB 3.31Å; Q162-A166 WeakPolarHBondContact O-CB 3.41Å; Q162-A166 PolarHBondContact O-N 3.37Å; Q162-Q197 HydrophobicContact CG-CB 4.39Å; Q162-Q197 WeakPolarHBondContact CG-O 3.38Å; Q162-Q197 PolarHBondContact NE2-O 3.41Å; Q162-T199 HydrophobicContact CG-CG2 4.36Å
163	Q	93.4	Very high	89.3	Confident	130 Å²	130	53.5 Å²	53.5	61%	0.607	29%	0.285	S	S	*	.	H	α-helix	trans	-63.2	-45.2	177.8	-73.2	175.9	-12.8	0	0	111.4	Q159 C160 A165 A166 E167	Q159-Q163 WeakPolarHBondContact O-CG 3.32Å; Q159-Q163 PolarHBondContact O-N 2.7Å; C160-Q163 PolarHBondContact O-N 2.63Å; Q163-A165 PolarHBondContact O-N 3.29Å; Q163-A166 PolarHBondContact O-N 3.5Å; Q163-E167 WeakPolarHBondContact O-CB 3.35Å; Q163-E167 PolarHBondContact O-N 3.2Å
164	Y	94.6	Very high	88.9	Confident	26 Å²	26	54 Å²	54	10%	0.102	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-49	176.7	174.8	-112.8	0	0	0	112.1	C160 W161 K168 L178 T179 P181 L189	C160-Y164 WeakPolarHBondContact O-CB 3.44Å; C160-Y164 PolarHBondContact O-N 3.37Å; W161-Y164 HydrophobicContact CE3-CD1 4.06Å; W161-Y164 AromaticContact CZ3-CD1 3.99Å; W161-Y164 HydrophobicContact CZ3-CD1 3.99Å; W161-Y164 HydrophobicContact CZ3-CE1 4.26Å; Y164-K168 HydrophobicContact CD2-CG 4.08Å; Y164-K168 HydrophobicContact CE2-CD 4.19Å; Y164-K168 HydrophobicContact CE2-CG 3.7Å; Y164-K168 WeakPolarHBondContact O-CB 3.3Å; Y164-K168 VanDerWaalsContact O-CG 3.29Å; Y164-K168 WeakPolarHBondContact O-CG 3.48Å; Y164-K168 PolarHBondContact O-N 2.91Å; Y164-L178 HydrophobicContact CE1-CB 4.3Å; Y164-L178 HydrophobicContact CE1-CD1 4.3Å; Y164-L178 HydrophobicContact CE1-CD2 4.34Å; Y164-T179 WeakPolarHBondContact CE1-O 3.25Å; Y164-T179 PolarHBondContact OH-O 2.7Å; Y164-P181 HydrophobicContact CD2-CB 3.95Å; Y164-P181 HydrophobicContact CE1-CB 4.47Å; Y164-P181 HydrophobicContact CE2-CB 3.9Å; Y164-P181 HydrophobicContact CG-CB 4.26Å; Y164-L189 HydrophobicContact CE1-CD1 4Å
165	A	93	Very high	88.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-44.5	177.6	0	0	0	0	0	111.5	W161 Q162 Q163 K168 M169 L178 I194 L198	W161-A165 WeakPolarHBondContact O-CB 3.41Å; W161-A165 PolarHBondContact O-N 3.03Å; Q162-A165 PolarHBondContact O-N 3.04Å; Q163-A165 PolarHBondContact O-N 3.29Å; A165-K168 PolarHBondContact O-N 3.34Å; A165-M169 WeakPolarHBondContact O-CB 3.38Å; A165-M169 VanDerWaalsContact O-CG 3.25Å; A165-M169 WeakPolarHBondContact O-CG 3.33Å; A165-M169 PolarHBondContact O-N 3.17Å; A165-L178 HydrophobicContact CB-CD1 4.4Å; A165-I194 HydrophobicContact CB-CG2 3.96Å; A165-L198 HydrophobicContact CB-CD2 3.91Å
166	A	93.1	Very high	88.6	Confident	41 Å²	41	50.3 Å²	50.3	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-45.9	179.2	0	0	0	0	0	112.6	Q162 Q163 M169 G170	Q162-A166 VanDerWaalsContact O-CB 3.31Å; Q162-A166 WeakPolarHBondContact O-CB 3.41Å; Q162-A166 PolarHBondContact O-N 3.37Å; Q163-A166 PolarHBondContact O-N 3.5Å; A166-M169 PolarHBondContact O-N 3.31Å; A166-G170 PolarHBondContact O-N 2.66Å
167	E	93.7	Very high	88.5	Confident	129 Å²	129	52.1 Å²	52.1	60%	0.603	30%	0.296	S	S	*	.	H	α-helix	trans	-64	-45.9	178.3	-172.6	-175.4	167.3	0	0	111.6	Q163 M169 G170 T171	Q163-E167 WeakPolarHBondContact O-CB 3.35Å; Q163-E167 PolarHBondContact O-N 3.2Å; E167-M169 PolarHBondContact O-N 2.77Å; E167-G170 WeakPolarHBondContact O-CA 3.23Å; E167-G170 PolarHBondContact O-N 2.98Å; E167-T171 WeakPolarHBondContact O-CG2 3.37Å; E167-T171 PolarHBondContact O-N 2.9Å; E167-T171 PolarHBondContact O-OG1 3.24Å
168	K	92.9	Very high	88.6	Confident	82 Å²	82	52 Å²	52	36%	0.357	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-36.8	178.5	-68.5	-64.9	-176.7	-167.6	0	112.8	Y164 A165 G170 T171 S172 L176 L178	Y164-K168 HydrophobicContact CD2-CG 4.08Å; Y164-K168 HydrophobicContact CE2-CD 4.19Å; Y164-K168 HydrophobicContact CE2-CG 3.7Å; Y164-K168 WeakPolarHBondContact O-CB 3.3Å; Y164-K168 VanDerWaalsContact O-CG 3.29Å; Y164-K168 WeakPolarHBondContact O-CG 3.48Å; Y164-K168 PolarHBondContact O-N 2.91Å; A165-K168 PolarHBondContact O-N 3.34Å; K168-G170 VanDerWaalsContact C-N 3.29Å; K168-G170 PolarHBondContact O-N 2.85Å; K168-T171 PolarHBondContact O-OG1 2.98Å; K168-S172 WeakPolarHBondContact O-CB 3.36Å; K168-S172 PolarHBondContact O-N 2.98Å; K168-L176 HydrophobicContact CB-CD1 4.34Å; K168-L178 HydrophobicContact CB-CD2 3.42Å; K168-L178 VanDerWaalsContact CB-CD2 3.42Å; K168-L178 HydrophobicContact CG-CD2 3.72Å
169	M	92	Very high	88.7	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-29.3	170.5	-72.4	-171.9	-66.2	0	0	113.3	A165 A166 E167 S172 L176 L198 Q203 R206 Y207 L210	A165-M169 WeakPolarHBondContact O-CB 3.38Å; A165-M169 VanDerWaalsContact O-CG 3.25Å; A165-M169 WeakPolarHBondContact O-CG 3.33Å; A165-M169 PolarHBondContact O-N 3.17Å; A166-M169 PolarHBondContact O-N 3.31Å; E167-M169 PolarHBondContact O-N 2.77Å; M169-S172 PolarHBondContact O-OG 3.3Å; M169-L176 HydrophobicContact CG-CD2 3.82Å; M169-L198 HydrophobicContact CE-CD2 3.66Å; M169-Q203 HydrophobicContact CE-CB 4.37Å; M169-Q203 HydrophobicContact CE-CG 4.47Å; M169-R206 PolarHBondContact O-NH2 3.23Å; M169-Y207 HydrophobicContact CG-CD2 4.06Å; M169-Y207 VanDerWaalsContact SD-CB 3.57Å; M169-Y207 HydrophobicContact SD-CD2 3.88Å; M169-Y207 HydrophobicContact SD-CG 4.23Å; M169-L210 HydrophobicContact CB-CD1 3.9Å; M169-L210 HydrophobicContact CG-CD1 3.87Å
170	G	89.3	Confident	88.7	Confident	50 Å²	50	43.8 Å²	43.8	52%	0.515	27%	0.265	S	S	.	.	H	α-helix	trans	-69.2	-40.4	176.6	0	0	0	0	0	113	A166 E167 K168	A166-G170 PolarHBondContact O-N 2.66Å; E167-G170 WeakPolarHBondContact O-CA 3.23Å; E167-G170 PolarHBondContact O-N 2.98Å; K168-G170 VanDerWaalsContact C-N 3.29Å; K168-G170 PolarHBondContact O-N 2.85Å
171	T	88.7	Confident	88.6	Confident	94 Å²	94	45.2 Å²	45.2	58%	0.577	27%	0.274	S	S	*	.	H	α-helix	trans	-89.3	-12.5	-175.3	56.8	0	0	0	0	114.5	E167 K168 V173	E167-T171 WeakPolarHBondContact O-CG2 3.37Å; E167-T171 PolarHBondContact O-N 2.9Å; E167-T171 PolarHBondContact O-OG1 3.24Å; K168-T171 PolarHBondContact O-OG1 2.98Å; T171-V173 PolarHBondContact O-N 3.45Å
172	S	80.2	Confident	88.4	Confident	28 Å²	28	45.9 Å²	45.9	20%	0.196	28%	0.28	C	S	.	.			trans	-74.2	115.7	-174	61.3	0	0	0	0	113.1	K168 M169 L210	K168-S172 WeakPolarHBondContact O-CB 3.36Å; K168-S172 PolarHBondContact O-N 2.98Å; M169-S172 PolarHBondContact O-OG 3.3Å; S172-L210 VanDerWaalsContact OG-CD1 3.31Å; S172-L210 WeakPolarHBondContact OG-CD1 3.15Å; S172-L210 WeakPolarHBondContact OG-CD2 3.23Å
173	V	71.5	Confident	88.1	Confident	127 Å²	127	55.3 Å²	55.3	77%	0.77	32%	0.316	S	S	*	.	S	Bend	trans	-90.6	-23.6	174.2	-175.9	0	0	0	0	112.4	T171 R213	T171-V173 PolarHBondContact O-N 3.45Å; V173-R213 PolarHBondContact O-NH1 3.18Å
174	G	71.6	Confident	87.7	Confident	36 Å²	36	51.4 Å²	51.4	37%	0.371	31%	0.311	S	S	.	.	S	Bend	trans	-114	-143.7	-176.3	0	0	0	0	0	113.6	R213	G174-R213 WeakPolarHBondContact O-CD 3.01Å; G174-R213 PolarHBondContact O-NH1 3.32Å
175	G	79.3	Confident	87.2	Confident	31 Å²	31	50.8 Å²	50.8	32%	0.32	31%	0.31	S	S	.	.			trans	-69.3	157.2	164.5	0	0	0	0	0	111.1	L210	G175-L210 WeakPolarHBondContact CA-O 3.27Å
176	L	88.7	Confident	86.9	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.058	33%	0.325	C	S	.	.			trans	-114	128.3	179.8	-177	64.9	0	0	0	110.9	R84 K168 M169 L178 Y207 L210 V211	R84-L176 PolarHBondContact NH2-O 3.45Å; R84-L176 VanDerWaalsContact NH2-O 3.07Å; K168-L176 HydrophobicContact CB-CD1 4.34Å; M169-L176 HydrophobicContact CG-CD2 3.82Å; L176-L178 HydrophobicContact CD1-CD2 3.65Å; L176-L178 HydrophobicContact CD1-CG 4.37Å; L176-L178 HydrophobicContact CD2-CD2 4.34Å; L176-L178 HydrophobicContact CD2-CG 4.44Å; L176-L178 HydrophobicContact CG-CD2 4.08Å; L176-L178 HydrophobicContact CG-CG 4.27Å; L176-Y207 HydrophobicContact CD2-CD2 3.72Å; L176-Y207 HydrophobicContact CD2-CE2 3.64Å; L176-L210 HydrophobicContact CB-CB 3.72Å; L176-L210 HydrophobicContact CD2-CB 4.16Å; L176-L210 HydrophobicContact CD2-CD1 4.19Å; L176-L210 PolarHBondContact N-O 3.36Å; L176-V211 HydrophobicContact CB-CG1 4.27Å
177	V	88.3	Confident	86.6	Confident	42 Å²	42	52.4 Å²	52.4	26%	0.255	31%	0.312	S	S	.	.			trans	-133.4	119.1	166	-172.7	0	0	0	0	107.7	F85 E88	F85-V177 HydrophobicContact CB-CG1 4.48Å; F85-V177 HydrophobicContact CD2-CG1 3.57Å; F85-V177 HydrophobicContact CE2-CG1 4.32Å; F85-V177 HydrophobicContact CG-CG1 4.48Å; E88-V177 HydrophobicContact CB-CG2 3.95Å; E88-V177 HydrophobicContact CG-CG2 3.57Å
178	L	91.3	Very high	86.5	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	28%	0.283	C	S	.	.			trans	-91.9	135.7	178.5	-61.9	-173.1	0	0	0	110.4	Y164 A165 K168 L176 L189 I194 Y207	Y164-L178 HydrophobicContact CE1-CB 4.3Å; Y164-L178 HydrophobicContact CE1-CD1 4.3Å; Y164-L178 HydrophobicContact CE1-CD2 4.34Å; A165-L178 HydrophobicContact CB-CD1 4.4Å; K168-L178 HydrophobicContact CB-CD2 3.42Å; K168-L178 VanDerWaalsContact CB-CD2 3.42Å; K168-L178 HydrophobicContact CG-CD2 3.72Å; L176-L178 HydrophobicContact CD1-CD2 3.65Å; L176-L178 HydrophobicContact CD1-CG 4.37Å; L176-L178 HydrophobicContact CD2-CD2 4.34Å; L176-L178 HydrophobicContact CD2-CG 4.44Å; L176-L178 HydrophobicContact CG-CD2 4.08Å; L176-L178 HydrophobicContact CG-CG 4.27Å; L178-L189 HydrophobicContact CB-CB 4.31Å; L178-L189 HydrophobicContact CB-CD1 3.87Å; L178-L189 HydrophobicContact CB-CG 4.32Å; L178-L189 PolarHBondContact O-N 3.21Å; L178-I194 HydrophobicContact CD1-CD1 3.96Å; L178-I194 HydrophobicContact CD1-CG1 4Å; L178-I194 HydrophobicContact CD1-CG2 3.93Å; L178-Y207 HydrophobicContact CD1-CE2 3.76Å; L178-Y207 HydrophobicContact CG-CE2 4.23Å
179	T	91.8	Very high	86.4	Confident	33 Å²	33	42.6 Å²	42.6	20%	0.202	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-110.3	167.6	168.6	57.3	0	0	0	0	110.1	F85 Y164 W187 L189	F85-T179 HydrophobicContact CE2-CG2 4.18Å; Y164-T179 WeakPolarHBondContact CE1-O 3.25Å; Y164-T179 PolarHBondContact OH-O 2.7Å; T179-W187 CarbonylContact C-O 3.45Å; T179-W187 WeakPolarHBondContact CA-O 3.42Å; T179-L189 WeakPolarHBondContact O-CD1 3.47Å
180	C	91	Very high	86.2	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.027	28%	0.282	C	S	.	.			trans	-50.5	134.9	172.6	-177	0	0	0	0	111.1	C152 A182 C185 W187	C152-C180 VanDerWaalsContact SG-SG 3.6Å; C180-A182 VanDerWaalsContact C-N 3.25Å; C180-A182 PolarHBondContact O-N 3.3Å; C180-A182 PolarHBondContact SG-N 3.38Å; C180-C185 HydrophobicContact CB-CB 3.88Å; C180-C185 VanDerWaalsContact CB-SG 3.52Å; C180-W187 HydrophobicContact CB-CB 4.27Å; C180-W187 PolarHBondContact N-O 2.97Å
181	P	91.7	Very high	86.3	Confident	35 Å²	35	43.2 Å²	43.2	23%	0.227	26%	0.259	C	S	.	.			trans	-78.1	-5.4	179.6	29.3	-32.8	0	0	0	113.7	I134 F156 W161 Y164	I134-P181 HydrophobicContact CD1-CB 4.13Å; I134-P181 HydrophobicContact CD1-CG 3.92Å; F156-P181 HydrophobicContact CD2-CG 3.86Å; F156-P181 HydrophobicContact CE1-CG 4.19Å; F156-P181 HydrophobicContact CE2-CG 3.48Å; F156-P181 VanDerWaalsContact CE2-CG 3.48Å; F156-P181 HydrophobicContact CG-CG 4.36Å; F156-P181 HydrophobicContact CZ-CG 3.64Å; W161-P181 VanDerWaalsContact CH2-CD 3.49Å; W161-P181 HydrophobicContact CH2-CG 4.09Å; W161-P181 HydrophobicContact CZ3-CG 3.95Å; Y164-P181 HydrophobicContact CD2-CB 3.95Å; Y164-P181 HydrophobicContact CE1-CB 4.47Å; Y164-P181 HydrophobicContact CE2-CB 3.9Å; Y164-P181 HydrophobicContact CG-CB 4.26Å
182	A	88.8	Confident	86.2	Confident	16 Å²	16	46 Å²	46	13%	0.132	26%	0.259	C	S	.	.	S	Bend	trans	-63.6	143.7	175.1	0	0	0	0	0	111.8	H154 F156 C180 G184 C185	H154-A182 HydrophobicContact CB-CB 4Å; H154-A182 WeakPolarHBondContact CD2-CB 3.33Å; H154-A182 WeakPolarHBondContact NE2-CB 3.16Å; F156-A182 HydrophobicContact CZ-CB 4.06Å; C180-A182 VanDerWaalsContact C-N 3.25Å; C180-A182 PolarHBondContact O-N 3.3Å; C180-A182 PolarHBondContact SG-N 3.38Å; A182-G184 PolarHBondContact O-N 3.41Å; A182-C185 HydrophobicContact CB-CB 3.93Å; A182-C185 PolarHBondContact O-N 2.98Å; A182-C185 VanDerWaalsContact O-N 3.1Å
183	Y	86.2	Confident	86.6	Confident	238 Å²	238	47.2 Å²	47.2	93%	0.933	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	124.9	179.1	-179.2	-99.8	0	0	0	111.6	C185	Y183-C185 PolarHBondContact O-N 3.1Å
184	G	83.3	Confident	87.5	Confident	49 Å²	49	41.2 Å²	41.2	51%	0.505	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-6.9	178.7	0	0	0	0	0	115.8	A182 N186	A182-G184 PolarHBondContact O-N 3.41Å; G184-N186 PolarHBondContact O-ND2 3.46Å
185	C	85.6	Confident	88.3	Confident	12 Å²	12	41.2 Å²	41.2	8%	0.081	22%	0.217	C	C	.	.			trans	-83.6	127.6	179.2	-167.2	0	0	0	0	111.3	C180 A182 Y183	C180-C185 HydrophobicContact CB-CB 3.88Å; C180-C185 VanDerWaalsContact CB-SG 3.52Å; A182-C185 HydrophobicContact CB-CB 3.93Å; A182-C185 PolarHBondContact O-N 2.98Å; A182-C185 VanDerWaalsContact O-N 3.1Å; Y183-C185 PolarHBondContact O-N 3.1Å
186	N	85.2	Confident	88.8	Confident	59 Å²	59	41.7 Å²	41.7	32%	0.316	22%	0.222	S	C	.	.			trans	-111.8	16.8	179.5	-65.7	-75.5	0	0	0	112.7	R117 G184 P188	R117-N186 WeakPolarHBondContact CD-ND2 3.25Å; G184-N186 PolarHBondContact O-ND2 3.46Å; N186-P188 WeakPolarHBondContact O-CD 3.49Å
187	W	88.3	Confident	88.7	Confident	16 Å²	16	42.2 Å²	42.2	6%	0.061	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-64.4	118.7	-177.7	-170.9	-78.4	0	0	0	110.5	P119 M120 Q151 C152 T179 C180	P119-W187 WeakPolarHBondContact O-CA 3.06Å; M120-W187 VanDerWaalsContact CA-CZ3 3.47Å; M120-W187 HydrophobicContact CB-CH2 4.41Å; M120-W187 HydrophobicContact CB-CZ3 3.93Å; M120-W187 HydrophobicContact CG-CH2 4.04Å; M120-W187 HydrophobicContact CG-CZ3 4Å; Q151-W187 HydrophobicContact CB-CH2 3.95Å; Q151-W187 HydrophobicContact CB-CZ2 3.51Å; Q151-W187 HydrophobicContact CG-CZ2 4.29Å; Q151-W187 VanDerWaalsContact OE1-CZ2 3.26Å; C152-W187 HydrophobicContact CB-CB 3.66Å; C152-W187 HydrophobicContact CB-CD2 4Å; C152-W187 HydrophobicContact CB-CE3 4.04Å; C152-W187 HydrophobicContact CB-CG 3.8Å; T179-W187 CarbonylContact C-O 3.45Å; T179-W187 WeakPolarHBondContact CA-O 3.42Å; C180-W187 HydrophobicContact CB-CB 4.27Å; C180-W187 PolarHBondContact N-O 2.97Å
188	P	91.2	Very high	88.8	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-70.5	138.2	-179.2	27.9	-33.6	0	0	0	110.6	S81 V82 F85 P119 N186	S81-P188 WeakPolarHBondContact O-CB 3.34Å; S81-P188 WeakPolarHBondContact O-CG 3.32Å; V82-P188 HydrophobicContact CG2-CG 4.07Å; F85-P188 HydrophobicContact CB-CB 3.73Å; F85-P188 HydrophobicContact CB-CG 3.93Å; F85-P188 HydrophobicContact CD2-CB 3.93Å; F85-P188 HydrophobicContact CG-CB 4.06Å; F85-P188 HydrophobicContact CG-CG 4.29Å; P119-P188 HydrophobicContact CB-CG 4.04Å; N186-P188 WeakPolarHBondContact O-CD 3.49Å
189	L	90.3	Very high	88.7	Confident	5 Å²	5	44 Å²	44	3%	0.026	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-86	145.3	-179.2	-55.1	-179.3	0	0	0	110	P150 W161 Y164 L178 T179 I194	P150-L189 HydrophobicContact CB-CD2 3.86Å; P150-L189 HydrophobicContact CG-CD2 3.68Å; W161-L189 HydrophobicContact CE3-CD1 4.37Å; W161-L189 HydrophobicContact CH2-CD1 3.79Å; W161-L189 HydrophobicContact CH2-CD2 3.89Å; W161-L189 HydrophobicContact CZ3-CD1 3.36Å; W161-L189 HydrophobicContact CZ3-CD2 4.33Å; Y164-L189 HydrophobicContact CE1-CD1 4Å; L178-L189 HydrophobicContact CB-CB 4.31Å; L178-L189 HydrophobicContact CB-CD1 3.87Å; L178-L189 HydrophobicContact CB-CG 4.32Å; L178-L189 PolarHBondContact O-N 3.21Å; T179-L189 WeakPolarHBondContact O-CD1 3.47Å; L189-I194 HydrophobicContact CB-CD1 4.21Å; L189-I194 HydrophobicContact CB-CG1 4.13Å; L189-I194 HydrophobicContact CD1-CD1 3.69Å; L189-I194 HydrophobicContact CD1-CG1 4.44Å
190	D	88.8	Confident	88.8	Confident	62 Å²	62	45.6 Å²	45.6	33%	0.332	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-70.7	128.9	171.9	-171.8	-55.2	0	0	0	109.4	R192 F193 I194	D190-R192 PolarHBondContact O-N 2.88Å; D190-R192 WeakPolarHBondContact OD1-CA 3.42Å; D190-R192 WeakPolarHBondContact OD1-CB 3.16Å; D190-R192 PolarHBondContact OD1-N 3.48Å; D190-F193 HydrophobicContact CB-CB 4.11Å; D190-F193 WeakPolarHBondContact O-CB 3.46Å; D190-F193 PolarHBondContact O-N 3.43Å; D190-F193 VanDerWaalsContact O-N 3.1Å; D190-I194 PolarHBondContact O-N 3.03Å
191	D	89.6	Confident	88.7	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-35.9	-179.1	-71.2	-40.5	0	0	0	112.1	R84 F193 I194 V195 Y207	R84-D191 IonicContact CZ-OD2 3.09Å; R84-D191 VanDerWaalsContact NH1-CG 3.3Å; R84-D191 IonicContact NH1-OD1 2.98Å; R84-D191 PolarHBondContact NH1-OD1 3Å; R84-D191 VanDerWaalsContact NH1-OD1 3.09Å; R84-D191 IonicContact NH1-OD2 3.28Å; R84-D191 PolarHBondContact NH1-OD2 3.06Å; D191-F193 VanDerWaalsContact C-N 3.33Å; D191-F193 PolarHBondContact O-N 3.32Å; D191-I194 PolarHBondContact O-N 3.1Å; D191-V195 WeakPolarHBondContact O-CB 3.48Å; D191-V195 VanDerWaalsContact O-CG2 3.25Å; D191-V195 WeakPolarHBondContact O-CG2 3.36Å; D191-V195 PolarHBondContact O-N 3.4Å; D191-Y207 HydrophobicContact CB-CE1 4.11Å; D191-Y207 PolarHBondContact OD1-OH 2.81Å
192	R	87.4	Confident	88.6	Confident	152 Å²	152	55.8 Å²	55.8	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-66.3	-37.4	177	-58	179.2	177	176.1	3.9	111.4	L66 D190 G196	L66-R192 HydrophobicContact CD1-CG 4.39Å; D190-R192 PolarHBondContact O-N 2.88Å; D190-R192 WeakPolarHBondContact OD1-CA 3.42Å; D190-R192 WeakPolarHBondContact OD1-CB 3.16Å; D190-R192 PolarHBondContact OD1-N 3.48Å; R192-G196 PolarHBondContact O-N 3.08Å; R192-G196 VanDerWaalsContact O-N 3.07Å
193	F	88.6	Confident	88.7	Confident	54 Å²	54	57.5 Å²	57.5	24%	0.237	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-47.8	174.6	169.4	-101.2	0	0	0	110.6	W161 D190 D191 G196 Q197	W161-F193 AromaticContact CD2-CE1 3.87Å; W161-F193 HydrophobicContact CD2-CE1 3.87Å; W161-F193 HydrophobicContact CD2-CZ 4.04Å; W161-F193 AromaticContact CE2-CE1 3.79Å; W161-F193 AromaticContact CE2-CZ 3.72Å; W161-F193 HydrophobicContact CE3-CE1 4.12Å; W161-F193 HydrophobicContact CG-CE1 4.4Å; W161-F193 HydrophobicContact CG-CZ 4.24Å; W161-F193 HydrophobicContact CH2-CE1 4.23Å; W161-F193 AromaticContact CZ2-CE1 3.95Å; W161-F193 HydrophobicContact CZ2-CE1 3.95Å; W161-F193 HydrophobicContact CZ2-CZ 4.13Å; W161-F193 HydrophobicContact CZ3-CE1 4.32Å; W161-F193 AromaticContact NE1-CZ 3.75Å; D190-F193 HydrophobicContact CB-CB 4.11Å; D190-F193 WeakPolarHBondContact O-CB 3.46Å; D190-F193 PolarHBondContact O-N 3.43Å; D190-F193 VanDerWaalsContact O-N 3.1Å; D191-F193 VanDerWaalsContact C-N 3.33Å; D191-F193 PolarHBondContact O-N 3.32Å; F193-G196 PolarHBondContact O-N 3.04Å; F193-Q197 HydrophobicContact CE1-CG 4.32Å; F193-Q197 HydrophobicContact CZ-CG 4.2Å; F193-Q197 WeakPolarHBondContact O-CG 3.35Å; F193-Q197 PolarHBondContact O-N 3.49Å
194	I	90.8	Very high	88.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-45.6	-179.4	-60	-65.1	0	0	0	111.6	W161 A165 L178 L189 D190 D191 G196 Q197 L198 Y207	W161-I194 HydrophobicContact CE3-CD1 4.42Å; A165-I194 HydrophobicContact CB-CG2 3.96Å; L178-I194 HydrophobicContact CD1-CD1 3.96Å; L178-I194 HydrophobicContact CD1-CG1 4Å; L178-I194 HydrophobicContact CD1-CG2 3.93Å; L189-I194 HydrophobicContact CB-CD1 4.21Å; L189-I194 HydrophobicContact CB-CG1 4.13Å; L189-I194 HydrophobicContact CD1-CD1 3.69Å; L189-I194 HydrophobicContact CD1-CG1 4.44Å; D190-I194 PolarHBondContact O-N 3.03Å; D191-I194 PolarHBondContact O-N 3.1Å; I194-G196 PolarHBondContact O-N 2.9Å; I194-Q197 WeakPolarHBondContact O-CB 3.41Å; I194-Q197 PolarHBondContact O-N 3.28Å; I194-L198 WeakPolarHBondContact O-CG 3.29Å; I194-L198 PolarHBondContact O-N 3.07Å; I194-Y207 HydrophobicContact CB-CE1 4.17Å; I194-Y207 HydrophobicContact CB-CE2 4.16Å; I194-Y207 HydrophobicContact CG2-CD2 3.9Å; I194-Y207 HydrophobicContact CG2-CE1 4.13Å; I194-Y207 HydrophobicContact CG2-CE2 3.44Å; I194-Y207 VanDerWaalsContact CG2-CE2 3.44Å; I194-Y207 HydrophobicContact CG2-CG 4.43Å
195	V	89.3	Confident	89.2	Confident	35 Å²	35	52.4 Å²	52.4	21%	0.212	26%	0.26	C	S	.	.	H	α-helix	trans	-55.6	-37.1	176.1	170.1	0	0	0	0	111.4	D191 Q197 L198 R204 Y207 V208	D191-V195 WeakPolarHBondContact O-CB 3.48Å; D191-V195 VanDerWaalsContact O-CG2 3.25Å; D191-V195 WeakPolarHBondContact O-CG2 3.36Å; D191-V195 PolarHBondContact O-N 3.4Å; V195-Q197 VanDerWaalsContact C-N 3.3Å; V195-Q197 PolarHBondContact O-N 3.44Å; V195-L198 PolarHBondContact O-N 3.48Å; V195-R204 HydrophobicContact CG1-CG 4.2Å; V195-Y207 HydrophobicContact CG2-CD1 3.64Å; V195-Y207 HydrophobicContact CG2-CE1 3.99Å; V195-V208 HydrophobicContact CG2-CG2 4.47Å
196	G	88.3	Confident	89.3	Confident	42 Å²	42	57.9 Å²	57.9	43%	0.433	28%	0.279	S	S	.	.	H	α-helix	trans	-67.3	-23	174.6	0	0	0	0	0	115	R192 F193 I194	R192-G196 PolarHBondContact O-N 3.08Å; R192-G196 VanDerWaalsContact O-N 3.07Å; F193-G196 PolarHBondContact O-N 3.04Å; I194-G196 PolarHBondContact O-N 2.9Å
197	Q	87.7	Confident	89.7	Confident	22 Å²	22	55.1 Å²	55.1	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-82.1	-29.7	176.2	-56.1	-48.3	-47.9	0	0	112.5	W161 Q162 F193 I194 V195	W161-Q197 HydrophobicContact CB-CB 4.42Å; W161-Q197 HydrophobicContact CB-CG 4.06Å; Q162-Q197 HydrophobicContact CG-CB 4.39Å; Q162-Q197 WeakPolarHBondContact CG-O 3.38Å; Q162-Q197 PolarHBondContact NE2-O 3.41Å; F193-Q197 HydrophobicContact CE1-CG 4.32Å; F193-Q197 HydrophobicContact CZ-CG 4.2Å; F193-Q197 WeakPolarHBondContact O-CG 3.35Å; F193-Q197 PolarHBondContact O-N 3.49Å; I194-Q197 WeakPolarHBondContact O-CB 3.41Å; I194-Q197 PolarHBondContact O-N 3.28Å; V195-Q197 VanDerWaalsContact C-N 3.3Å; V195-Q197 PolarHBondContact O-N 3.44Å
198	L	90.5	Very high	89.8	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	26%	0.263	C	S	.	.			trans	-64.1	141.7	-174.9	-61.3	174.8	0	0	0	112.7	A165 M169 I194 V195 Q203 R204 Y207	A165-L198 HydrophobicContact CB-CD2 3.91Å; M169-L198 HydrophobicContact CE-CD2 3.66Å; I194-L198 WeakPolarHBondContact O-CG 3.29Å; I194-L198 PolarHBondContact O-N 3.07Å; V195-L198 PolarHBondContact O-N 3.48Å; L198-Q203 HydrophobicContact CB-CB 4.17Å; L198-Q203 HydrophobicContact CD1-CB 4.36Å; L198-Q203 HydrophobicContact CD2-CB 4.28Å; L198-Q203 HydrophobicContact CG-CB 4.49Å; L198-R204 HydrophobicContact CB-CG 3.89Å; L198-R204 HydrophobicContact CD1-CG 4.12Å; L198-Y207 HydrophobicContact CD1-CG 4.02Å
199	T	89.3	Confident	89.7	Confident	80 Å²	80	57.9 Å²	57.9	49%	0.491	28%	0.28	S	S	.	.			trans	-84.7	-33.3	-166.6	57.9	0	0	0	0	113.9	Q162 Q203	Q162-T199 HydrophobicContact CG-CG2 4.36Å; T199-Q203 PolarHBondContact OG1-OE1 2.88Å
200	N	91.9	Very high	89.7	Confident	65 Å²	65	58.5 Å²	58.5	35%	0.348	28%	0.284	S	S	.	.	S	Bend	trans	-136.7	165.9	-173.8	65.8	42.1	0	0	0	111.6	E202 Q203 R204	N200-E202 PolarHBondContact O-N 3.06Å; N200-E202 PolarHBondContact OD1-N 3.39Å; N200-Q203 PolarHBondContact O-N 3.26Å; N200-Q203 VanDerWaalsContact OD1-CB 3.29Å; N200-Q203 WeakPolarHBondContact OD1-CB 3.48Å; N200-Q203 VanDerWaalsContact OD1-CG 3.23Å; N200-Q203 WeakPolarHBondContact OD1-CG 3.48Å; N200-Q203 PolarHBondContact OD1-N 3.22Å; N200-R204 WeakPolarHBondContact O-CG 3.14Å; N200-R204 PolarHBondContact O-N 2.97Å
201	E	89.6	Confident	89.8	Confident	100 Å²	100	55.6 Å²	55.6	47%	0.467	27%	0.268	S	S	.	.	H	α-helix	trans	-68.5	-33.5	-175.3	-174.2	54.3	-152.2	0	0	112.8	Q203 R204 Q205	E201-Q203 PolarHBondContact O-N 3.17Å; E201-R204 PolarHBondContact O-N 2.91Å; E201-R204 IonicContact OE2-NH1 2.7Å; E201-Q205 HydrophobicContact CG-CG 4.48Å; E201-Q205 WeakPolarHBondContact O-CG 3.34Å; E201-Q205 PolarHBondContact O-N 3.49Å; E201-Q205 PolarHBondContact OE1-NE2 3.08Å
202	E	89.5	Confident	90	Very high	153 Å²	153	55.4 Å²	55.4	72%	0.715	27%	0.267	S	S	*	.	H	α-helix	trans	-62.4	-44.5	177.1	-172.1	-174.3	170.9	0	0	111.7	N200 R204 Q205 R206	N200-E202 PolarHBondContact O-N 3.06Å; N200-E202 PolarHBondContact OD1-N 3.39Å; E202-R204 VanDerWaalsContact C-N 3.33Å; E202-R204 PolarHBondContact O-N 2.85Å; E202-Q205 PolarHBondContact O-N 3.32Å; E202-R206 VanDerWaalsContact O-CB 3.31Å; E202-R206 WeakPolarHBondContact O-CB 3.45Å; E202-R206 PolarHBondContact O-N 3.32Å
203	Q	90.9	Very high	90	Very high	53 Å²	53	54.2 Å²	54.2	25%	0.248	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-43.1	174	-77.1	176.2	-6.5	0	0	111.1	M169 L198 T199 N200 E201 R206 Y207	M169-Q203 HydrophobicContact CE-CB 4.37Å; M169-Q203 HydrophobicContact CE-CG 4.47Å; L198-Q203 HydrophobicContact CB-CB 4.17Å; L198-Q203 HydrophobicContact CD1-CB 4.36Å; L198-Q203 HydrophobicContact CD2-CB 4.28Å; L198-Q203 HydrophobicContact CG-CB 4.49Å; T199-Q203 PolarHBondContact OG1-OE1 2.88Å; N200-Q203 PolarHBondContact O-N 3.26Å; N200-Q203 VanDerWaalsContact OD1-CB 3.29Å; N200-Q203 WeakPolarHBondContact OD1-CB 3.48Å; N200-Q203 VanDerWaalsContact OD1-CG 3.23Å; N200-Q203 WeakPolarHBondContact OD1-CG 3.48Å; N200-Q203 PolarHBondContact OD1-N 3.22Å; E201-Q203 PolarHBondContact O-N 3.17Å; Q203-R206 PolarHBondContact O-N 3.09Å; Q203-Y207 WeakPolarHBondContact O-CB 3.44Å; Q203-Y207 PolarHBondContact O-N 3.33Å
204	R	91.8	Very high	89.9	Confident	91 Å²	91	53 Å²	53	34%	0.343	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-47.3	178.4	-67.9	177.1	-170.4	152.5	3	111.6	V195 L198 N200 E201 E202 R206 Y207 V208	V195-R204 HydrophobicContact CG1-CG 4.2Å; L198-R204 HydrophobicContact CB-CG 3.89Å; L198-R204 HydrophobicContact CD1-CG 4.12Å; N200-R204 WeakPolarHBondContact O-CG 3.14Å; N200-R204 PolarHBondContact O-N 2.97Å; E201-R204 PolarHBondContact O-N 2.91Å; E201-R204 IonicContact OE2-NH1 2.7Å; E202-R204 VanDerWaalsContact C-N 3.33Å; E202-R204 PolarHBondContact O-N 2.85Å; R204-R206 VanDerWaalsContact C-N 3.35Å; R204-R206 PolarHBondContact O-N 2.83Å; R204-Y207 PolarHBondContact O-N 2.79Å; R204-V208 WeakPolarHBondContact O-CB 3.48Å; R204-V208 VanDerWaalsContact O-CG2 3.23Å; R204-V208 WeakPolarHBondContact O-CG2 3.21Å; R204-V208 PolarHBondContact O-N 3.3Å
205	Q	88.3	Confident	90	Very high	89 Å²	89	53.4 Å²	53.4	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.5	-70.6	180	9.7	0	0	111.7	E201 E202 V208 N209	E201-Q205 HydrophobicContact CG-CG 4.48Å; E201-Q205 WeakPolarHBondContact O-CG 3.34Å; E201-Q205 PolarHBondContact O-N 3.49Å; E201-Q205 PolarHBondContact OE1-NE2 3.08Å; E202-Q205 PolarHBondContact O-N 3.32Å; Q205-V208 PolarHBondContact O-N 3.38Å; Q205-N209 WeakPolarHBondContact O-CB 3.4Å; Q205-N209 PolarHBondContact O-N 2.87Å; Q205-N209 PolarHBondContact O-ND2 3.2Å
206	R	88.9	Confident	90	Very high	127 Å²	127	52.3 Å²	52.3	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-46.4	174.9	-176.8	174.4	175.5	167.7	-0.2	111.5	M169 E202 Q203 R204 N209 L210	M169-R206 PolarHBondContact O-NH2 3.23Å; E202-R206 VanDerWaalsContact O-CB 3.31Å; E202-R206 WeakPolarHBondContact O-CB 3.45Å; E202-R206 PolarHBondContact O-N 3.32Å; Q203-R206 PolarHBondContact O-N 3.09Å; R204-R206 VanDerWaalsContact C-N 3.35Å; R204-R206 PolarHBondContact O-N 2.83Å; R206-N209 PolarHBondContact O-N 2.68Å; R206-L210 HydrophobicContact CG-CD1 4.03Å; R206-L210 WeakPolarHBondContact O-CB 3.3Å; R206-L210 VanDerWaalsContact O-CG 3.25Å; R206-L210 WeakPolarHBondContact O-CG 3.25Å; R206-L210 PolarHBondContact O-N 3.34Å
207	Y	92.5	Very high	89.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-52.1	176	-175.2	-99.5	0	0	0	110.9	M169 L176 L178 D191 I194 V195 L198 Q203 R204 N209 L210 V211	M169-Y207 HydrophobicContact CG-CD2 4.06Å; M169-Y207 VanDerWaalsContact SD-CB 3.57Å; M169-Y207 HydrophobicContact SD-CD2 3.88Å; M169-Y207 HydrophobicContact SD-CG 4.23Å; L176-Y207 HydrophobicContact CD2-CD2 3.72Å; L176-Y207 HydrophobicContact CD2-CE2 3.64Å; L178-Y207 HydrophobicContact CD1-CE2 3.76Å; L178-Y207 HydrophobicContact CG-CE2 4.23Å; D191-Y207 HydrophobicContact CB-CE1 4.11Å; D191-Y207 PolarHBondContact OD1-OH 2.81Å; I194-Y207 HydrophobicContact CB-CE1 4.17Å; I194-Y207 HydrophobicContact CB-CE2 4.16Å; I194-Y207 HydrophobicContact CG2-CD2 3.9Å; I194-Y207 HydrophobicContact CG2-CE1 4.13Å; I194-Y207 HydrophobicContact CG2-CE2 3.44Å; I194-Y207 VanDerWaalsContact CG2-CE2 3.44Å; I194-Y207 HydrophobicContact CG2-CG 4.43Å; V195-Y207 HydrophobicContact CG2-CD1 3.64Å; V195-Y207 HydrophobicContact CG2-CE1 3.99Å; L198-Y207 HydrophobicContact CD1-CG 4.02Å; Q203-Y207 WeakPolarHBondContact O-CB 3.44Å; Q203-Y207 PolarHBondContact O-N 3.33Å; R204-Y207 PolarHBondContact O-N 2.79Å; Y207-N209 VanDerWaalsContact C-N 3.34Å; Y207-N209 PolarHBondContact O-N 3.47Å; Y207-L210 WeakPolarHBondContact O-CB 3.33Å; Y207-L210 PolarHBondContact O-N 3.23Å; Y207-V211 HydrophobicContact CD1-CG1 4.05Å; Y207-V211 HydrophobicContact CD1-CG2 4.46Å; Y207-V211 HydrophobicContact CD2-CG1 4.42Å; Y207-V211 HydrophobicContact CE1-CG1 3.54Å; Y207-V211 HydrophobicContact CE1-CG2 4.35Å; Y207-V211 HydrophobicContact CE2-CG1 3.95Å; Y207-V211 HydrophobicContact CG-CG1 4.46Å; Y207-V211 VanDerWaalsContact CZ-CG1 3.47Å; Y207-V211 WeakPolarHBondContact O-CG2 3.33Å; Y207-V211 PolarHBondContact O-N 3.42Å
208	V	91.5	Very high	89.8	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-44.4	-179.7	172	0	0	0	0	111.6	S58 H62 V195 R204 Q205 L210 V211 T212	S58-V208 VanDerWaalsContact O-CG1 3.25Å; S58-V208 WeakPolarHBondContact O-CG1 3.48Å; H62-V208 HydrophobicContact CB-CG1 3.77Å; V195-V208 HydrophobicContact CG2-CG2 4.47Å; R204-V208 WeakPolarHBondContact O-CB 3.48Å; R204-V208 VanDerWaalsContact O-CG2 3.23Å; R204-V208 WeakPolarHBondContact O-CG2 3.21Å; R204-V208 PolarHBondContact O-N 3.3Å; Q205-V208 PolarHBondContact O-N 3.38Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 3.21Å; V208-V211 VanDerWaalsContact O-CG2 3.25Å; V208-V211 WeakPolarHBondContact O-CG2 3.24Å; V208-V211 PolarHBondContact O-N 2.97Å; V208-T212 HydrophobicContact CG1-CG2 4.43Å; V208-T212 WeakPolarHBondContact O-CB 3.22Å; V208-T212 WeakPolarHBondContact O-CG2 3.37Å; V208-T212 PolarHBondContact O-N 3.4Å; V208-T212 PolarHBondContact O-OG1 3.31Å
209	N	87.8	Confident	89.7	Confident	68 Å²	68	62.2 Å²	62.2	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-39.6	175.9	-73	-24.4	0	0	0	112.3	S58 Q205 R206 Y207 T212 R213	S58-N209 WeakPolarHBondContact CB-OD1 3.29Å; S58-N209 PolarHBondContact OG-OD1 3.26Å; Q205-N209 WeakPolarHBondContact O-CB 3.4Å; Q205-N209 PolarHBondContact O-N 2.87Å; Q205-N209 PolarHBondContact O-ND2 3.2Å; R206-N209 PolarHBondContact O-N 2.68Å; Y207-N209 VanDerWaalsContact C-N 3.34Å; Y207-N209 PolarHBondContact O-N 3.47Å; N209-T212 PolarHBondContact O-OG1 3.02Å; N209-R213 WeakPolarHBondContact O-CB 3.36Å; N209-R213 PolarHBondContact O-N 3.48Å
210	L	90.3	Very high	89.7	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-70.9	-42.8	179.5	-72.1	168.9	0	0	0	112.1	M169 S172 G175 L176 R206 Y207 V208 R213	M169-L210 HydrophobicContact CB-CD1 3.9Å; M169-L210 HydrophobicContact CG-CD1 3.87Å; S172-L210 VanDerWaalsContact OG-CD1 3.31Å; S172-L210 WeakPolarHBondContact OG-CD1 3.15Å; S172-L210 WeakPolarHBondContact OG-CD2 3.23Å; G175-L210 WeakPolarHBondContact CA-O 3.27Å; L176-L210 HydrophobicContact CB-CB 3.72Å; L176-L210 HydrophobicContact CD2-CB 4.16Å; L176-L210 HydrophobicContact CD2-CD1 4.19Å; L176-L210 PolarHBondContact N-O 3.36Å; R206-L210 HydrophobicContact CG-CD1 4.03Å; R206-L210 WeakPolarHBondContact O-CB 3.3Å; R206-L210 VanDerWaalsContact O-CG 3.25Å; R206-L210 WeakPolarHBondContact O-CG 3.25Å; R206-L210 PolarHBondContact O-N 3.34Å; Y207-L210 WeakPolarHBondContact O-CB 3.33Å; Y207-L210 PolarHBondContact O-N 3.23Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 3.21Å; L210-R213 WeakPolarHBondContact O-CB 3.39Å; L210-R213 PolarHBondContact O-N 2.69Å
211	V	92.3	Very high	89.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.7	-34.4	179.5	-63	0	0	0	0	112.5	R84 L176 Y207 V208	R84-V211 PolarHBondContact NH2-O 2.66Å; L176-V211 HydrophobicContact CB-CG1 4.27Å; Y207-V211 HydrophobicContact CD1-CG1 4.05Å; Y207-V211 HydrophobicContact CD1-CG2 4.46Å; Y207-V211 HydrophobicContact CD2-CG1 4.42Å; Y207-V211 HydrophobicContact CE1-CG1 3.54Å; Y207-V211 HydrophobicContact CE1-CG2 4.35Å; Y207-V211 HydrophobicContact CE2-CG1 3.95Å; Y207-V211 HydrophobicContact CG-CG1 4.46Å; Y207-V211 VanDerWaalsContact CZ-CG1 3.47Å; Y207-V211 WeakPolarHBondContact O-CG2 3.33Å; Y207-V211 PolarHBondContact O-N 3.42Å; V208-V211 VanDerWaalsContact O-CG2 3.25Å; V208-V211 WeakPolarHBondContact O-CG2 3.24Å; V208-V211 PolarHBondContact O-N 2.97Å
212	T	91.9	Very high	89.8	Confident	4 Å²	4	57.6 Å²	57.6	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-84.4	-7.7	179.9	55.5	0	0	0	0	113.8	V61 H62 M65 V208 N209 T214 F215 V216	V61-T212 HydrophobicContact CG1-CG2 4.2Å; H62-T212 HydrophobicContact CB-CG2 3.83Å; M65-T212 HydrophobicContact SD-CG2 4.02Å; V208-T212 HydrophobicContact CG1-CG2 4.43Å; V208-T212 WeakPolarHBondContact O-CB 3.22Å; V208-T212 WeakPolarHBondContact O-CG2 3.37Å; V208-T212 PolarHBondContact O-N 3.4Å; V208-T212 PolarHBondContact O-OG1 3.31Å; N209-T212 PolarHBondContact O-OG1 3.02Å; T212-T214 PolarHBondContact O-N 2.83Å; T212-F215 WeakPolarHBondContact O-CB 3.43Å; T212-F215 PolarHBondContact O-N 3.36Å; T212-V216 WeakPolarHBondContact O-CG2 3.47Å; T212-V216 PolarHBondContact O-N 3.18Å
213	R	88.4	Confident	89.8	Confident	126 Å²	126	52.4 Å²	52.4	48%	0.475	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-46.3	-168.9	-170.1	173.2	-177.1	-177	-2.7	114	V173 G174 N209 L210 K217	V173-R213 PolarHBondContact O-NH1 3.18Å; G174-R213 WeakPolarHBondContact O-CD 3.01Å; G174-R213 PolarHBondContact O-NH1 3.32Å; N209-R213 WeakPolarHBondContact O-CB 3.36Å; N209-R213 PolarHBondContact O-N 3.48Å; L210-R213 WeakPolarHBondContact O-CB 3.39Å; L210-R213 PolarHBondContact O-N 2.69Å; R213-K217 WeakPolarHBondContact O-CB 3.15Å; R213-K217 PolarHBondContact O-N 2.64Å
214	T	86.5	Confident	89.8	Confident	28 Å²	28	53.1 Å²	53.1	17%	0.172	26%	0.262	C	S	.	.	H	α-helix	trans	-68.4	-42.4	179.9	-53.7	0	0	0	0	110.5	E88 T212 V216 K217 V218	E88-T214 WeakPolarHBondContact OE1-CB 3.26Å; E88-T214 PolarHBondContact OE1-OG1 2.98Å; T212-T214 PolarHBondContact O-N 2.83Å; T214-V216 PolarHBondContact O-N 3.31Å; T214-K217 PolarHBondContact O-N 3.49Å; T214-V218 WeakPolarHBondContact O-CG2 3.47Å; T214-V218 PolarHBondContact O-N 3.34Å; T214-V218 VanDerWaalsContact O-N 3.13Å
215	F	91.8	Very high	89.9	Confident	10 Å²	10	49.1 Å²	49.1	4%	0.044	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-49.5	175.3	178.9	-108.3	0	0	0	111.8	V61 I64 M65 E68 W92 T212 K217 V218 N219 L222	V61-F215 HydrophobicContact CG1-CD1 4.07Å; V61-F215 HydrophobicContact CG1-CE1 4.25Å; I64-F215 HydrophobicContact CG2-CE1 4.26Å; I64-F215 HydrophobicContact CG2-CZ 4.07Å; M65-F215 HydrophobicContact CB-CD1 3.94Å; M65-F215 HydrophobicContact CB-CE1 4.01Å; M65-F215 HydrophobicContact CB-CG 4.21Å; M65-F215 HydrophobicContact CB-CZ 4.34Å; M65-F215 HydrophobicContact CG-CB 4.26Å; M65-F215 HydrophobicContact CG-CD1 4.2Å; M65-F215 HydrophobicContact CG-CD2 4.17Å; M65-F215 HydrophobicContact CG-CG 3.95Å; M65-F215 HydrophobicContact SD-CB 4.21Å; E68-F215 HydrophobicContact CG-CE2 4.44Å; W92-F215 HydrophobicContact CB-CD2 4.4Å; W92-F215 HydrophobicContact CD2-CB 4.1Å; W92-F215 AromaticContact CD2-CD2 3.57Å; W92-F215 HydrophobicContact CD2-CD2 3.57Å; W92-F215 HydrophobicContact CD2-CE2 4.49Å; W92-F215 HydrophobicContact CD2-CG 4.3Å; W92-F215 AromaticContact CE3-CD2 3.53Å; W92-F215 HydrophobicContact CE3-CD2 3.53Å; W92-F215 HydrophobicContact CE3-CE2 4.05Å; W92-F215 HydrophobicContact CG-CB 4.32Å; W92-F215 AromaticContact CG-CD2 3.96Å; W92-F215 HydrophobicContact CG-CD2 3.96Å; W92-F215 HydrophobicContact CZ2-CB 4.27Å; W92-F215 HydrophobicContact CZ3-CD2 4.05Å; W92-F215 HydrophobicContact CZ3-CE2 4.46Å; T212-F215 WeakPolarHBondContact O-CB 3.43Å; T212-F215 PolarHBondContact O-N 3.36Å; F215-K217 PolarHBondContact O-N 3.06Å; F215-V218 WeakPolarHBondContact O-CG2 3.18Å; F215-N219 WeakPolarHBondContact O-CB 3.42Å; F215-N219 PolarHBondContact O-N 3.37Å; F215-L222 HydrophobicContact CD1-CD1 4.29Å; F215-L222 HydrophobicContact CE1-CD1 3.67Å; F215-L222 HydrophobicContact CZ-CD1 4.39Å
216	V	90.7	Very high	90	Very high	13 Å²	13	47.4 Å²	47.4	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-39.4	177.1	173.8	0	0	0	0	112	V61 T212 T214 V218 L233	V61-V216 HydrophobicContact CG1-CG2 3.65Å; T212-V216 WeakPolarHBondContact O-CG2 3.47Å; T212-V216 PolarHBondContact O-N 3.18Å; T214-V216 PolarHBondContact O-N 3.31Å; V216-V218 PolarHBondContact O-N 2.83Å; V216-L233 HydrophobicContact CB-CD2 4.38Å; V216-L233 HydrophobicContact CG1-CD2 3.75Å; V216-L233 HydrophobicContact CG2-CD2 3.66Å
217	K	86.3	Confident	90	Very high	169 Å²	169	45.3 Å²	45.3	74%	0.735	24%	0.24	S	C	*	.	H	α-helix	trans	-64.3	-39.6	-176.8	-175.8	178.9	178.7	-178.1	0	112.6	R213 T214 F215	R213-K217 WeakPolarHBondContact O-CB 3.15Å; R213-K217 PolarHBondContact O-N 2.64Å; T214-K217 PolarHBondContact O-N 3.49Å; F215-K217 PolarHBondContact O-N 3.06Å
218	V	85.6	Confident	89.7	Confident	70 Å²	70	50.5 Å²	50.5	42%	0.424	27%	0.272	S	S	.	.	H	α-helix	trans	-88.6	-24.1	-177.3	-58.4	0	0	0	0	112.9	R91 W92 T214 F215 V216 S220	R91-V218 HydrophobicContact CB-CG1 4.35Å; R91-V218 WeakPolarHBondContact O-CG2 3.32Å; W92-V218 HydrophobicContact CB-CG2 3.88Å; W92-V218 HydrophobicContact CG-CG2 4.41Å; T214-V218 WeakPolarHBondContact O-CG2 3.47Å; T214-V218 PolarHBondContact O-N 3.34Å; T214-V218 VanDerWaalsContact O-N 3.13Å; F215-V218 WeakPolarHBondContact O-CG2 3.18Å; V216-V218 PolarHBondContact O-N 2.83Å; V218-S220 PolarHBondContact O-N 3.08Å
219	N	88.7	Confident	89.3	Confident	35 Å²	35	58.4 Å²	58.4	19%	0.187	31%	0.314	C	S	.	.			trans	-71.3	120.8	178	-168.1	-42.1	0	0	0	110.7	F215 T221 L222	F215-N219 WeakPolarHBondContact O-CB 3.42Å; F215-N219 PolarHBondContact O-N 3.37Å; N219-T221 VanDerWaalsContact C-N 3.29Å; N219-T221 PolarHBondContact O-N 3.19Å; N219-T221 WeakPolarHBondContact OD1-CA 3.42Å; N219-T221 WeakPolarHBondContact OD1-CB 3.34Å; N219-T221 PolarHBondContact OD1-N 3.39Å; N219-T221 PolarHBondContact OD1-OG1 2.98Å; N219-L222 HydrophobicContact CB-CB 4.17Å; N219-L222 HydrophobicContact CB-CD1 4.26Å; N219-L222 HydrophobicContact CB-CG 4.45Å; N219-L222 PolarHBondContact OD1-N 3.12Å
220	S	87.6	Confident	89.2	Confident	90 Å²	90	56.5 Å²	56.5	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.2	-179.5	59.2	0	0	0	0	113.3	V218 F254	V218-S220 PolarHBondContact O-N 3.08Å; S220-F254 WeakPolarHBondContact O-CE1 3.47Å
221	T	91.2	Very high	89.1	Confident	56 Å²	56	58.5 Å²	58.5	34%	0.344	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.3	-179.4	69.2	0	0	0	0	113.3	N219 R235 R236 F254	N219-T221 VanDerWaalsContact C-N 3.29Å; N219-T221 PolarHBondContact O-N 3.19Å; N219-T221 WeakPolarHBondContact OD1-CA 3.42Å; N219-T221 WeakPolarHBondContact OD1-CB 3.34Å; N219-T221 PolarHBondContact OD1-N 3.39Å; N219-T221 PolarHBondContact OD1-OG1 2.98Å; T221-R235 CarbonylContact O-C 3.42Å; T221-R235 WeakPolarHBondContact O-CA 3.29Å; T221-R236 PolarHBondContact O-N 2.75Å; T221-F254 VanDerWaalsContact O-CZ 3.29Å; T221-F254 WeakPolarHBondContact O-CZ 3.4Å
222	L	92.5	Very high	89.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132	179.2	-67.7	172.7	0	0	0	111.1	L56 V61 F215 N219 L234 R235	L56-L222 HydrophobicContact CD1-CD2 3.88Å; V61-L222 HydrophobicContact CG1-CD1 4.32Å; F215-L222 HydrophobicContact CD1-CD1 4.29Å; F215-L222 HydrophobicContact CE1-CD1 3.67Å; F215-L222 HydrophobicContact CZ-CD1 4.39Å; N219-L222 HydrophobicContact CB-CB 4.17Å; N219-L222 HydrophobicContact CB-CD1 4.26Å; N219-L222 HydrophobicContact CB-CG 4.45Å; N219-L222 PolarHBondContact OD1-N 3.12Å; L222-L234 WeakPolarHBondContact CA-O 3.18Å; L222-R235 HydrophobicContact CD2-CB 3.67Å; L222-R235 HydrophobicContact CD2-CG 4Å
223	K	91.1	Very high	89.1	Confident	45 Å²	45	61.4 Å²	61.4	20%	0.196	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.6	170.7	-64.1	-65.1	173.7	-154.8	0	111.4	L233 L234 F254	K223-L233 CarbonylContact O-C 3.48Å; K223-L233 WeakPolarHBondContact O-CA 3.16Å; K223-L234 PolarHBondContact N-O 3.39Å; K223-L234 PolarHBondContact O-N 3.27Å; K223-F254 HydrophobicContact CB-CD2 4.15Å; K223-F254 HydrophobicContact CB-CE1 4.5Å; K223-F254 HydrophobicContact CB-CE2 3.68Å; K223-F254 HydrophobicContact CB-CZ 3.88Å; K223-F254 HydrophobicContact CG-CD1 4.02Å; K223-F254 HydrophobicContact CG-CD2 4.11Å; K223-F254 HydrophobicContact CG-CE1 3.6Å; K223-F254 HydrophobicContact CG-CE2 3.7Å; K223-F254 HydrophobicContact CG-CG 4.26Å; K223-F254 HydrophobicContact CG-CZ 3.42Å; K223-F254 VanDerWaalsContact CG-CZ 3.42Å
224	P	91	Very high	89.4	Confident	67 Å²	67	55.4 Å²	55.4	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	152.8	169.7	31.3	-34	0	0	0	110.5	L233	P224-L233 HydrophobicContact CB-CD2 4.43Å
225	C	92.5	Very high	89.8	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.054	32%	0.316	C	S	.	.			trans	-63.3	127.8	165.9	-175.6	0	0	0	0	109.2	Q227 C230 Y232 L234 C246	C225-Q227 PolarHBondContact O-N 3.28Å; C225-C230 HydrophobicContact CB-CB 3.97Å; C225-C230 VanDerWaalsContact CB-SG 3.56Å; C225-C230 VanDerWaalsContact SG-SG 3.66Å; C225-Y232 WeakPolarHBondContact CB-O 3.39Å; C225-Y232 PolarHBondContact N-O 2.69Å; C225-L234 HydrophobicContact CB-CD1 4.49Å; C225-C246 HydrophobicContact CB-CB 4.29Å; C225-C246 VanDerWaalsContact SG-SG 3.65Å
226	P	91.5	Very high	89.9	Confident	52 Å²	52	59.6 Å²	59.6	34%	0.338	32%	0.323	S	S	.	.			trans	-76.1	-7.7	-179.6	32.2	-38.5	0	0	0	113.2	T228 Y250 F252 C257	P226-T228 PolarHBondContact O-N 3.1Å; P226-Y250 HydrophobicContact CB-CE1 4.48Å; P226-Y250 HydrophobicContact CG-CD1 3.79Å; P226-Y250 HydrophobicContact CG-CE1 3.39Å; P226-F252 HydrophobicContact CG-CB 3.95Å; P226-F252 HydrophobicContact CG-CD1 4.32Å; P226-F252 HydrophobicContact CG-CD2 4.04Å; P226-F252 HydrophobicContact CG-CG 3.87Å; P226-C257 WeakPolarHBondContact CB-O 3.3Å
227	Q	88.5	Confident	89.8	Confident	83 Å²	83	65.9 Å²	65.9	39%	0.388	35%	0.345	S	S	.	.	S	Bend	trans	-66.6	133.7	179.2	179.9	61.6	-24.4	0	0	110.9	C225 N229 C230 Y250	C225-Q227 PolarHBondContact O-N 3.28Å; Q227-N229 PolarHBondContact O-N 2.93Å; Q227-C230 HydrophobicContact CB-CB 4.07Å; Q227-C230 HydrophobicContact CG-CB 4.48Å; Q227-C230 WeakPolarHBondContact O-CB 3.33Å; Q227-C230 PolarHBondContact O-N 2.86Å; Q227-C230 VanDerWaalsContact O-N 3.15Å; Q227-Y250 HydrophobicContact CB-CD1 4.35Å; Q227-Y250 HydrophobicContact CB-CD2 4.02Å; Q227-Y250 HydrophobicContact CB-CG 3.84Å; Q227-Y250 HydrophobicContact CG-CD2 4.3Å; Q227-Y250 HydrophobicContact CG-CG 4.49Å
228	T	85.7	Confident	89.7	Confident	109 Å²	109	67.3 Å²	67.3	67%	0.669	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	137	176.9	58.4	0	0	0	0	111.1	P226 C230	P226-T228 PolarHBondContact O-N 3.1Å; T228-C230 PolarHBondContact O-N 3.07Å
229	N	82.6	Confident	89.3	Confident	174 Å²	174	67.2 Å²	67.2	93%	0.93	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	15.7	-178.8	-53.7	-29.4	0	0	0	116	Q227	Q227-N229 PolarHBondContact O-N 2.93Å
230	C	86.8	Confident	88.8	Confident	28 Å²	28	66 Å²	66	19%	0.189	36%	0.361	C	S	.	.			trans	-91.9	125.3	172	-171.2	0	0	0	0	110.8	C225 Q227 T228 C246 C248	C225-C230 HydrophobicContact CB-CB 3.97Å; C225-C230 VanDerWaalsContact CB-SG 3.56Å; C225-C230 VanDerWaalsContact SG-SG 3.66Å; Q227-C230 HydrophobicContact CB-CB 4.07Å; Q227-C230 HydrophobicContact CG-CB 4.48Å; Q227-C230 WeakPolarHBondContact O-CB 3.33Å; Q227-C230 PolarHBondContact O-N 2.86Å; Q227-C230 VanDerWaalsContact O-N 3.15Å; T228-C230 PolarHBondContact O-N 3.07Å; C230-C246 VanDerWaalsContact SG-SG 3.63Å; C230-C248 VanDerWaalsContact SG-SG 3.62Å
231	S	87.3	Confident	88.3	Confident	60 Å²	60	69.4 Å²	69.4	42%	0.42	37%	0.365	S	S	.	.			trans	-94.5	-0.9	179.8	56.6	0	0	0	0	114.4
232	Y	92.3	Very high	88	Confident	53 Å²	53	72.6 Å²	72.6	21%	0.208	38%	0.376	C	S	.	.			trans	-80.5	148.8	-178.6	-65.3	-66.3	0	0	0	112.3	V55 L56 Q57 C225 C246 K247	V55-Y232 HydrophobicContact CG1-CD1 3.92Å; V55-Y232 HydrophobicContact CG1-CG 3.96Å; L56-Y232 WeakPolarHBondContact O-CA 3.28Å; Q57-Y232 HydrophobicContact CG-CD1 4Å; Q57-Y232 HydrophobicContact CG-CE1 3.77Å; C225-Y232 WeakPolarHBondContact CB-O 3.39Å; C225-Y232 PolarHBondContact N-O 2.69Å; Y232-C246 VanDerWaalsContact CB-SG 3.59Å; Y232-K247 HydrophobicContact CD2-CB 4.19Å; Y232-K247 HydrophobicContact CE1-CD 4.2Å; Y232-K247 HydrophobicContact CE2-CB 4.1Å; Y232-K247 HydrophobicContact CE2-CD 4.37Å; Y232-K247 HydrophobicContact CE2-CG 4.36Å
233	L	93.2	Very high	87.9	Confident	13 Å²	13	75.3 Å²	75.3	7%	0.068	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	157.9	170.9	-61.4	97.2	0	0	0	109.6	V55 L56 V61 V216 K223 P224	V55-L233 CarbonylContact C-O 3.53Å; V55-L233 WeakPolarHBondContact CA-O 3.38Å; L56-L233 PolarHBondContact N-O 2.95Å; L56-L233 PolarHBondContact O-N 3.18Å; V61-L233 HydrophobicContact CG2-CB 4.17Å; V61-L233 HydrophobicContact CG2-CD1 4.04Å; V61-L233 HydrophobicContact CG2-CD2 4.16Å; V61-L233 HydrophobicContact CG2-CG 4.34Å; V216-L233 HydrophobicContact CB-CD2 4.38Å; V216-L233 HydrophobicContact CG1-CD2 3.75Å; V216-L233 HydrophobicContact CG2-CD2 3.66Å; K223-L233 CarbonylContact O-C 3.48Å; K223-L233 WeakPolarHBondContact O-CA 3.16Å; P224-L233 HydrophobicContact CB-CD2 4.43Å
234	L	94.4	Very high	88.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135	176.8	-73.9	79.6	0	0	0	109.6	F53 E54 V55 L222 K223 C225 A244 C246 F252 F254	F53-L234 HydrophobicContact CB-CD2 4.29Å; E54-L234 CarbonylContact O-C 3.59Å; E54-L234 WeakPolarHBondContact O-CA 3.18Å; V55-L234 HydrophobicContact CG2-CG 4.31Å; L222-L234 WeakPolarHBondContact CA-O 3.18Å; K223-L234 PolarHBondContact N-O 3.39Å; K223-L234 PolarHBondContact O-N 3.27Å; C225-L234 HydrophobicContact CB-CD1 4.49Å; L234-A244 HydrophobicContact CD2-CB 3.75Å; L234-C246 HydrophobicContact CD1-CB 4.06Å; L234-F252 HydrophobicContact CB-CZ 4.46Å; L234-F252 HydrophobicContact CD1-CE1 3.84Å; L234-F252 HydrophobicContact CD1-CZ 3.93Å; L234-F252 HydrophobicContact CD2-CE1 3.79Å; L234-F252 HydrophobicContact CD2-CZ 4.01Å; L234-F252 HydrophobicContact CG-CE1 4.4Å; L234-F252 HydrophobicContact CG-CZ 4.37Å; L234-F254 HydrophobicContact CB-CE2 4.16Å; L234-F254 WeakPolarHBondContact O-CE2 3.31Å
235	R	94.4	Very high	88.2	Confident	80 Å²	80	72.8 Å²	72.8	30%	0.302	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.3	169.8	-176.7	164.4	62.4	-179.7	-1.4	109.9	F53 E54 L56 T221 L222	F53-R235 CarbonylContact C-O 3.59Å; F53-R235 VanDerWaalsContact CA-O 3.32Å; F53-R235 WeakPolarHBondContact CA-O 3.33Å; E54-R235 HydrophobicContact CB-CB 4.36Å; E54-R235 PolarHBondContact N-O 3.21Å; E54-R235 PolarHBondContact O-N 3.35Å; E54-R235 IonicContact OE1-NH2 3.61Å; E54-R235 PolarHBondContact OE1-NH2 3.38Å; E54-R235 VanDerWaalsContact OE1-NH2 3.15Å; E54-R235 IonicContact OE2-CZ 2.64Å; E54-R235 IonicContact OE2-NE 2.69Å; E54-R235 PolarHBondContact OE2-NE 3.13Å; E54-R235 IonicContact OE2-NH2 3.77Å; E54-R235 PolarHBondContact OE2-NH2 2.85Å; L56-R235 HydrophobicContact CD1-CB 3.91Å; T221-R235 CarbonylContact O-C 3.42Å; T221-R235 WeakPolarHBondContact O-CA 3.29Å; L222-R235 HydrophobicContact CD2-CB 3.67Å; L222-R235 HydrophobicContact CD2-CG 4Å
236	R	93.3	Very high	88.3	Confident	46 Å²	46	72.6 Å²	72.6	17%	0.174	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.2	173.4	176.9	-178.4	-78.6	174	-9.3	109.3	F53 T221 C240 F254 D255	F53-R236 HydrophobicContact CD1-CB 4.09Å; F53-R236 HydrophobicContact CE1-CB 3.83Å; F53-R236 HydrophobicContact CE1-CG 4.03Å; T221-R236 PolarHBondContact O-N 2.75Å; R236-C240 HydrophobicContact CG-CB 4.41Å; R236-C240 PolarHBondContact NE-O 2.9Å; R236-F254 HydrophobicContact CB-CD1 4.37Å; R236-F254 HydrophobicContact CB-CE1 3.89Å; R236-F254 HydrophobicContact CB-CE2 4.26Å; R236-F254 HydrophobicContact CB-CZ 3.83Å; R236-D255 IonicContact CZ-OD1 2.8Å; R236-D255 VanDerWaalsContact CZ-OD1 3.28Å; R236-D255 IonicContact CZ-OD2 3.72Å; R236-D255 IonicContact NH1-OD1 2.98Å; R236-D255 PolarHBondContact NH1-OD1 2.87Å; R236-D255 IonicContact NH2-OD1 4Å; R236-D255 PolarHBondContact NH2-OD1 2.83Å; R236-D255 IonicContact NH2-OD2 2.74Å; R236-D255 PolarHBondContact NH2-OD2 3.47Å
237	R	90.1	Very high	88.3	Confident	144 Å²	144	77.6 Å²	77.6	54%	0.543	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-80	149.9	165.9	-59.9	-177.3	-179.1	-136.5	-1.8	109.4	G52 G239 C240	G52-R237 WeakPolarHBondContact O-CB 3.47Å; G52-R237 PolarHBondContact O-N 2.88Å; R237-G239 PolarHBondContact O-N 2.75Å; R237-C240 WeakPolarHBondContact O-CB 3.24Å; R237-C240 PolarHBondContact O-N 2.86Å
238	E	82.4	Confident	88.3	Confident	200 Å²	200	76.6 Å²	76.6	94%	0.935	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	140.1	-179.2	-65.6	-175.3	168.1	0	0	111.9	C240	E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 3.1Å
239	G	77.8	Confident	88.5	Confident	67 Å²	67	73.3 Å²	73.3	69%	0.691	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	2.3	179	0	0	0	0	0	116.1	R237 F241	R237-G239 PolarHBondContact O-N 2.75Å; G239-F241 WeakPolarHBondContact O-CD2 3.42Å
240	C	78.8	Confident	88.9	Confident	10 Å²	10	67.6 Å²	67.6	7%	0.068	35%	0.345	C	S	.	.			trans	-88.2	117.1	177.7	-172	0	0	0	0	113.1	G52 F53 R236 R237 E238	G52-C240 VanDerWaalsContact CA-SG 3.54Å; G52-C240 WeakPolarHBondContact O-CB 3.46Å; F53-C240 WeakPolarHBondContact CE2-SG 3.49Å; R236-C240 HydrophobicContact CG-CB 4.41Å; R236-C240 PolarHBondContact NE-O 2.9Å; R237-C240 WeakPolarHBondContact O-CB 3.24Å; R237-C240 PolarHBondContact O-N 2.86Å; E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 3.1Å
241	F	77.4	Confident	89.3	Confident	162 Å²	162	67 Å²	67	71%	0.711	34%	0.34	S	S	*	.			trans	-115.5	13.7	173.3	-58.4	-79.8	0	0	0	113.1	G239	G239-F241 WeakPolarHBondContact O-CD2 3.42Å
242	Q	83.5	Confident	89.6	Confident	123 Å²	123	64.2 Å²	64.2	58%	0.575	32%	0.32	S	S	*	.	S	Bend	trans	-79.7	171.8	-179.1	-65.4	-179.6	-31.8	0	0	111.6	F53	F53-Q242 VanDerWaalsContact CE2-O 3.3Å; F53-Q242 WeakPolarHBondContact CE2-O 3.21Å; F53-Q242 WeakPolarHBondContact CZ-O 3.4Å
243	K	92	Very high	89.7	Confident	57 Å²	57	62 Å²	62	25%	0.248	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-58.6	139.1	171.2	71	-178.2	-179.6	172.1	0	110.8	F53 V245 E251 W260	F53-K243 WeakPolarHBondContact CE2-O 3.31Å; K243-V245 HydrophobicContact CD-CG2 4.42Å; K243-V245 HydrophobicContact CG-CG2 4.12Å; K243-E251 WeakPolarHBondContact CE-OE1 3.5Å; K243-E251 IonicContact NZ-OE1 2.75Å; K243-E251 PolarHBondContact NZ-OE1 2.85Å; K243-E251 IonicContact NZ-OE2 3.13Å; K243-E251 PolarHBondContact NZ-OE2 3.06Å; K243-W260 HydrophobicContact CB-CB 4.47Å; K243-W260 HydrophobicContact CB-CD2 3.32Å; K243-W260 HydrophobicContact CB-CE3 3.44Å; K243-W260 VanDerWaalsContact CB-CE3 3.44Å; K243-W260 HydrophobicContact CB-CG 3.79Å; K243-W260 HydrophobicContact CB-CH2 4.05Å; K243-W260 HydrophobicContact CB-CZ2 3.95Å; K243-W260 HydrophobicContact CB-CZ3 3.81Å; K243-W260 HydrophobicContact CD-CG 4.34Å
244	A	93.7	Very high	89.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.6	174.3	0	0	0	0	0	108.8	F53 L234 E251 F252 F254	F53-A244 HydrophobicContact CD1-CB 4.19Å; F53-A244 HydrophobicContact CD2-CB 4.14Å; F53-A244 HydrophobicContact CE1-CB 4.03Å; F53-A244 HydrophobicContact CE2-CB 3.96Å; F53-A244 HydrophobicContact CG-CB 4.25Å; F53-A244 HydrophobicContact CZ-CB 3.92Å; L234-A244 HydrophobicContact CD2-CB 3.75Å; A244-E251 WeakPolarHBondContact O-CA 3.36Å; A244-F252 HydrophobicContact CB-CD1 4.05Å; A244-F252 HydrophobicContact CB-CD2 4.44Å; A244-F252 HydrophobicContact CB-CE1 3.78Å; A244-F252 HydrophobicContact CB-CE2 4.19Å; A244-F252 HydrophobicContact CB-CG 4.37Å; A244-F252 HydrophobicContact CB-CZ 3.85Å; A244-F252 PolarHBondContact N-O 3.32Å; A244-F252 WeakPolarHBondContact O-CD1 3.29Å; A244-F252 PolarHBondContact O-N 3.37Å; A244-F254 HydrophobicContact CB-CB 4.24Å; A244-F254 HydrophobicContact CB-CD2 4.28Å
245	V	94.1	Very high	89.4	Confident	60 Å²	60	66 Å²	66	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114	179.3	-174.7	0	0	0	0	108.5	K243 E251	K243-V245 HydrophobicContact CD-CG2 4.42Å; K243-V245 HydrophobicContact CG-CG2 4.12Å; V245-E251 HydrophobicContact CG1-CG 4.43Å; V245-E251 HydrophobicContact CG2-CG 4.14Å
246	C	94	Very high	89.2	Confident	4 Å²	4	64 Å²	64	3%	0.027	33%	0.331	C	S	.	.			trans	-75.4	156.6	175.5	-171.7	0	0	0	0	110.8	C225 C230 Y232 L234 C248 G249 Y250	C225-C246 HydrophobicContact CB-CB 4.29Å; C225-C246 VanDerWaalsContact SG-SG 3.65Å; C230-C246 VanDerWaalsContact SG-SG 3.63Å; Y232-C246 VanDerWaalsContact CB-SG 3.59Å; L234-C246 HydrophobicContact CD1-CB 4.06Å; C246-C248 PolarHBondContact O-N 2.96Å; C246-C248 VanDerWaalsContact O-N 3.13Å; C246-C248 VanDerWaalsContact SG-SG 3.6Å; C246-G249 WeakPolarHBondContact O-CA 3.32Å; C246-G249 PolarHBondContact O-N 3.28Å; C246-Y250 PolarHBondContact N-O 3.45Å
247	K	91.2	Very high	89.1	Confident	156 Å²	156	63.8 Å²	63.8	68%	0.678	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.9	171.4	-173.6	172.2	-179.9	178.3	0	113.2	V55 Y232 G249	V55-K247 HydrophobicContact CG1-CB 3.91Å; Y232-K247 HydrophobicContact CD2-CB 4.19Å; Y232-K247 HydrophobicContact CE1-CD 4.2Å; Y232-K247 HydrophobicContact CE2-CB 4.1Å; Y232-K247 HydrophobicContact CE2-CD 4.37Å; Y232-K247 HydrophobicContact CE2-CG 4.36Å; K247-G249 PolarHBondContact O-N 3.41Å
248	C	89.9	Confident	89.3	Confident	62 Å²	62	61.1 Å²	61.1	42%	0.419	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.4	171.9	72.8	0	0	0	0	114.3	C230 C246	C230-C248 VanDerWaalsContact SG-SG 3.62Å; C246-C248 PolarHBondContact O-N 2.96Å; C246-C248 VanDerWaalsContact O-N 3.13Å; C246-C248 VanDerWaalsContact SG-SG 3.6Å
249	G	89.6	Confident	89.8	Confident	40 Å²	40	53.8 Å²	53.8	41%	0.412	30%	0.296	S	S	.	.	S	Bend	trans	90.2	-8.5	-177.9	0	0	0	0	0	115	C246 K247 E251	C246-G249 WeakPolarHBondContact O-CA 3.32Å; C246-G249 PolarHBondContact O-N 3.28Å; K247-G249 PolarHBondContact O-N 3.41Å; G249-E251 PolarHBondContact O-N 2.93Å
250	Y	91.6	Very high	90.7	Very high	55 Å²	55	52.7 Å²	52.7	22%	0.216	27%	0.271	C	S	.	.			trans	-69.4	127.2	179.3	-165.7	-98.4	0	0	0	111.6	P226 Q227 C246 F252 E259	P226-Y250 HydrophobicContact CB-CE1 4.48Å; P226-Y250 HydrophobicContact CG-CD1 3.79Å; P226-Y250 HydrophobicContact CG-CE1 3.39Å; Q227-Y250 HydrophobicContact CB-CD1 4.35Å; Q227-Y250 HydrophobicContact CB-CD2 4.02Å; Q227-Y250 HydrophobicContact CB-CG 3.84Å; Q227-Y250 HydrophobicContact CG-CD2 4.3Å; Q227-Y250 HydrophobicContact CG-CG 4.49Å; C246-Y250 PolarHBondContact N-O 3.45Å; Y250-F252 HydrophobicContact CD1-CB 3.87Å; Y250-F252 HydrophobicContact CD1-CD1 4.08Å; Y250-F252 HydrophobicContact CD1-CG 4.34Å; Y250-F252 HydrophobicContact CE1-CB 3.64Å; Y250-F252 HydrophobicContact CE1-CG 4.45Å; Y250-E259 WeakPolarHBondContact OH-CB 3.27Å
251	E	93.8	Very high	91.5	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.7	178.8	-52.6	-168.8	153.5	0	0	110.4	K243 A244 V245 G249 W260 R432	K243-E251 WeakPolarHBondContact CE-OE1 3.5Å; K243-E251 IonicContact NZ-OE1 2.75Å; K243-E251 PolarHBondContact NZ-OE1 2.85Å; K243-E251 IonicContact NZ-OE2 3.13Å; K243-E251 PolarHBondContact NZ-OE2 3.06Å; A244-E251 WeakPolarHBondContact O-CA 3.36Å; V245-E251 HydrophobicContact CG1-CG 4.43Å; V245-E251 HydrophobicContact CG2-CG 4.14Å; G249-E251 PolarHBondContact O-N 2.93Å; E251-W260 HydrophobicContact CB-CB 4.21Å; E251-W260 PolarHBondContact O-N 2.98Å; E251-R432 IonicContact OE2-CZ 3.49Å; E251-R432 IonicContact OE2-NH1 2.7Å; E251-R432 IonicContact OE2-NH2 3.07Å; E251-R432 PolarHBondContact OE2-NH2 3.25Å
252	F	94.3	Very high	92.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.1	-173.7	72.3	-81.1	0	0	0	113.2	P226 L234 A244 Y250 F254 Q258	P226-F252 HydrophobicContact CG-CB 3.95Å; P226-F252 HydrophobicContact CG-CD1 4.32Å; P226-F252 HydrophobicContact CG-CD2 4.04Å; P226-F252 HydrophobicContact CG-CG 3.87Å; L234-F252 HydrophobicContact CB-CZ 4.46Å; L234-F252 HydrophobicContact CD1-CE1 3.84Å; L234-F252 HydrophobicContact CD1-CZ 3.93Å; L234-F252 HydrophobicContact CD2-CE1 3.79Å; L234-F252 HydrophobicContact CD2-CZ 4.01Å; L234-F252 HydrophobicContact CG-CE1 4.4Å; L234-F252 HydrophobicContact CG-CZ 4.37Å; A244-F252 HydrophobicContact CB-CD1 4.05Å; A244-F252 HydrophobicContact CB-CD2 4.44Å; A244-F252 HydrophobicContact CB-CE1 3.78Å; A244-F252 HydrophobicContact CB-CE2 4.19Å; A244-F252 HydrophobicContact CB-CG 4.37Å; A244-F252 HydrophobicContact CB-CZ 3.85Å; A244-F252 PolarHBondContact N-O 3.32Å; A244-F252 WeakPolarHBondContact O-CD1 3.29Å; A244-F252 PolarHBondContact O-N 3.37Å; Y250-F252 HydrophobicContact CD1-CB 3.87Å; Y250-F252 HydrophobicContact CD1-CD1 4.08Å; Y250-F252 HydrophobicContact CD1-CG 4.34Å; Y250-F252 HydrophobicContact CE1-CB 3.64Å; Y250-F252 HydrophobicContact CE1-CG 4.45Å; F252-F254 HydrophobicContact CE2-CD2 4.38Å; F252-Q258 CarbonylContact C-O 3.57Å; F252-Q258 VanDerWaalsContact CA-O 3.31Å; F252-Q258 WeakPolarHBondContact CA-O 3.5Å; F252-Q258 VanDerWaalsContact CB-O 3.27Å; F252-Q258 WeakPolarHBondContact CB-O 3.23Å
253	C	93.9	Very high	92.9	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.041	22%	0.22	C	C	.	.			trans	-79	120.8	169	176.1	0	0	0	0	109.2	D255 C256 C257 Q258 W260 H261 C266	C253-D255 VanDerWaalsContact C-N 3.29Å; C253-D255 PolarHBondContact O-N 2.79Å; C253-C256 VanDerWaalsContact CB-SG 3.58Å; C253-C257 WeakPolarHBondContact O-CA 3.37Å; C253-C257 PolarHBondContact O-N 3.38Å; C253-Q258 PolarHBondContact N-O 2.81Å; C253-W260 HydrophobicContact CB-CE3 4.18Å; C253-W260 HydrophobicContact CB-CZ3 4.41Å; C253-H261 WeakPolarHBondContact CB-NE2 3.43Å; C253-C266 PolarHBondContact SG-SG 3.26Å
254	F	92.3	Very high	93.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.4	-177.9	-169.7	-85.6	0	0	0	113.1	F53 S220 T221 K223 L234 R236 A244 F252	F53-F254 AromaticContact CD1-CD2 3.92Å; F53-F254 HydrophobicContact CD1-CD2 3.92Å; F53-F254 HydrophobicContact CD1-CE2 4.22Å; F53-F254 HydrophobicContact CE1-CB 3.89Å; F53-F254 HydrophobicContact CE1-CD1 4.48Å; F53-F254 AromaticContact CE1-CD2 3.45Å; F53-F254 HydrophobicContact CE1-CD2 3.45Å; F53-F254 VanDerWaalsContact CE1-CD2 3.45Å; F53-F254 HydrophobicContact CE1-CE2 4.06Å; F53-F254 AromaticContact CE1-CG 3.69Å; F53-F254 HydrophobicContact CE1-CG 3.69Å; F53-F254 HydrophobicContact CZ-CB 4.07Å; F53-F254 HydrophobicContact CZ-CD2 4.41Å; F53-F254 HydrophobicContact CZ-CG 4.37Å; S220-F254 WeakPolarHBondContact O-CE1 3.47Å; T221-F254 VanDerWaalsContact O-CZ 3.29Å; T221-F254 WeakPolarHBondContact O-CZ 3.4Å; K223-F254 HydrophobicContact CB-CD2 4.15Å; K223-F254 HydrophobicContact CB-CE1 4.5Å; K223-F254 HydrophobicContact CB-CE2 3.68Å; K223-F254 HydrophobicContact CB-CZ 3.88Å; K223-F254 HydrophobicContact CG-CD1 4.02Å; K223-F254 HydrophobicContact CG-CD2 4.11Å; K223-F254 HydrophobicContact CG-CE1 3.6Å; K223-F254 HydrophobicContact CG-CE2 3.7Å; K223-F254 HydrophobicContact CG-CG 4.26Å; K223-F254 HydrophobicContact CG-CZ 3.42Å; K223-F254 VanDerWaalsContact CG-CZ 3.42Å; L234-F254 HydrophobicContact CB-CE2 4.16Å; L234-F254 WeakPolarHBondContact O-CE2 3.31Å; R236-F254 HydrophobicContact CB-CD1 4.37Å; R236-F254 HydrophobicContact CB-CE1 3.89Å; R236-F254 HydrophobicContact CB-CE2 4.26Å; R236-F254 HydrophobicContact CB-CZ 3.83Å; A244-F254 HydrophobicContact CB-CB 4.24Å; A244-F254 HydrophobicContact CB-CD2 4.28Å; F252-F254 HydrophobicContact CE2-CD2 4.38Å
255	D	89.3	Confident	93.2	Very high	96 Å²	96	42.4 Å²	42.4	51%	0.513	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-43.5	-177	-60.2	-58	0	0	0	112.9	R236 C253	R236-D255 IonicContact CZ-OD1 2.8Å; R236-D255 VanDerWaalsContact CZ-OD1 3.28Å; R236-D255 IonicContact CZ-OD2 3.72Å; R236-D255 IonicContact NH1-OD1 2.98Å; R236-D255 PolarHBondContact NH1-OD1 2.87Å; R236-D255 IonicContact NH2-OD1 4Å; R236-D255 PolarHBondContact NH2-OD1 2.83Å; R236-D255 IonicContact NH2-OD2 2.74Å; R236-D255 PolarHBondContact NH2-OD2 3.47Å; C253-D255 VanDerWaalsContact C-N 3.29Å; C253-D255 PolarHBondContact O-N 2.79Å
256	C	90.8	Very high	93.2	Very high	38 Å²	38	41.6 Å²	41.6	26%	0.257	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-8	-178.8	76	0	0	0	0	114.3	C253 Q258 H261 C266	C253-C256 VanDerWaalsContact CB-SG 3.58Å; C256-Q258 HydrophobicContact CB-CG 4.47Å; C256-Q258 PolarHBondContact O-N 3.23Å; C256-Q258 VanDerWaalsContact SG-CB 3.56Å; C256-Q258 PolarHBondContact SG-N 2.9Å; C256-H261 PolarHBondContact SG-NE2 3.2Å; C256-C266 HydrophobicContact CB-CB 3.98Å
257	C	91.4	Very high	93.2	Very high	41 Å²	41	45.9 Å²	45.9	28%	0.277	24%	0.242	S	C	.	.			trans	59	20.8	-177.1	-60.1	0	0	0	0	114.9	P226 C253	P226-C257 WeakPolarHBondContact CB-O 3.3Å; C253-C257 WeakPolarHBondContact O-CA 3.37Å; C253-C257 PolarHBondContact O-N 3.38Å
258	Q	93.3	Very high	93.4	Very high	89 Å²	89	38.7 Å²	38.7	42%	0.416	21%	0.211	S	C	.	.	S	Bend	trans	-94.6	163.1	173.7	-60.6	-62.9	-36.5	0	0	111.3	F252 C253 C256 L269	F252-Q258 CarbonylContact C-O 3.57Å; F252-Q258 VanDerWaalsContact CA-O 3.31Å; F252-Q258 WeakPolarHBondContact CA-O 3.5Å; F252-Q258 VanDerWaalsContact CB-O 3.27Å; F252-Q258 WeakPolarHBondContact CB-O 3.23Å; C253-Q258 PolarHBondContact N-O 2.81Å; C256-Q258 HydrophobicContact CB-CG 4.47Å; C256-Q258 PolarHBondContact O-N 3.23Å; C256-Q258 VanDerWaalsContact SG-CB 3.56Å; C256-Q258 PolarHBondContact SG-N 2.9Å; Q258-L269 HydrophobicContact CB-CD2 3.76Å; Q258-L269 HydrophobicContact CG-CD2 4.02Å
259	E	93.4	Very high	93.7	Very high	46 Å²	46	35.9 Å²	35.9	22%	0.215	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-45.5	140.4	168.4	170.3	175	-117.4	0	0	111.1	Y250 H261 R432 K435 Y436	Y250-E259 WeakPolarHBondContact OH-CB 3.27Å; E259-H261 WeakPolarHBondContact O-CB 3.49Å; E259-H261 PolarHBondContact O-CD2 3.03Å; E259-H261 PolarHBondContact O-N 2.79Å; E259-R432 HydrophobicContact CG-CG 4.09Å; E259-R432 WeakPolarHBondContact OE1-CD 3.31Å; E259-K435 IonicContact OE2-NZ 2.66Å; E259-K435 PolarHBondContact OE2-NZ 3.15Å; E259-Y436 WeakPolarHBondContact CB-OH 3.31Å; E259-Y436 HydrophobicContact CG-CE2 4.1Å; E259-Y436 PolarHBondContact OE2-OH 2.71Å
260	W	95.7	Very high	93.9	Very high	44 Å²	44	41.8 Å²	41.8	17%	0.167	21%	0.206	C	C	.	.			trans	-56.3	122.5	-176.3	179.2	-111.3	0	0	0	111.4	K243 E251 C253 E262 R432 Y436	K243-W260 HydrophobicContact CB-CB 4.47Å; K243-W260 HydrophobicContact CB-CD2 3.32Å; K243-W260 HydrophobicContact CB-CE3 3.44Å; K243-W260 VanDerWaalsContact CB-CE3 3.44Å; K243-W260 HydrophobicContact CB-CG 3.79Å; K243-W260 HydrophobicContact CB-CH2 4.05Å; K243-W260 HydrophobicContact CB-CZ2 3.95Å; K243-W260 HydrophobicContact CB-CZ3 3.81Å; K243-W260 HydrophobicContact CD-CG 4.34Å; E251-W260 HydrophobicContact CB-CB 4.21Å; E251-W260 PolarHBondContact O-N 2.98Å; C253-W260 HydrophobicContact CB-CE3 4.18Å; C253-W260 HydrophobicContact CB-CZ3 4.41Å; W260-E262 HydrophobicContact CZ2-CB 3.75Å; W260-E262 HydrophobicContact CZ2-CG 4.27Å; W260-E262 WeakPolarHBondContact CZ2-OE2 3.49Å; W260-R432 VanDerWaalsContact O-CD 3.25Å; W260-R432 WeakPolarHBondContact O-CD 3.39Å; W260-Y436 VanDerWaalsContact O-CE2 3.24Å; W260-Y436 WeakPolarHBondContact O-CE2 3.36Å
261	H	95.6	Very high	94	Very high	8 Å²	8	42 Å²	42	4%	0.037	21%	0.208	C	C	.	.			trans	-124.5	29.8	-162	58	68	0	0	0	114.5	C253 C256 E259 L264 C266 L269 Y436	C253-H261 WeakPolarHBondContact CB-NE2 3.43Å; C256-H261 PolarHBondContact SG-NE2 3.2Å; E259-H261 WeakPolarHBondContact O-CB 3.49Å; E259-H261 PolarHBondContact O-CD2 3.03Å; E259-H261 PolarHBondContact O-N 2.79Å; H261-L264 PolarHBondContact CE1-O 3.05Å; H261-L264 VanDerWaalsContact CE1-O 3.31Å; H261-L264 PolarHBondContact ND1-O 3.47Å; H261-L264 WeakPolarHBondContact O-CA 3.46Å; H261-L264 WeakPolarHBondContact O-CB 3.36Å; H261-L264 PolarHBondContact O-N 3.2Å; H261-L264 VanDerWaalsContact O-O 3.11Å; H261-C266 PolarHBondContact CE1-SG 2.76Å; H261-C266 PolarHBondContact NE2-SG 3.17Å; H261-L269 HydrophobicContact CB-CD2 3.91Å; H261-L269 WeakPolarHBondContact CD2-CD2 3.29Å; H261-Y436 HydrophobicContact CB-CD1 3.57Å; H261-Y436 HydrophobicContact CB-CD2 3.71Å; H261-Y436 HydrophobicContact CB-CE1 3.58Å; H261-Y436 HydrophobicContact CB-CE2 3.69Å; H261-Y436 HydrophobicContact CB-CG 3.62Å
262	E	95.2	Very high	94.1	Very high	39 Å²	39	41.2 Å²	41.2	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	135.2	173.2	-160.9	179.1	-173.4	0	0	110.9	W260 L505 R509	W260-E262 HydrophobicContact CZ2-CB 3.75Å; W260-E262 HydrophobicContact CZ2-CG 4.27Å; W260-E262 WeakPolarHBondContact CZ2-OE2 3.49Å; E262-L505 HydrophobicContact CB-CD2 4.18Å; E262-L505 HydrophobicContact CG-CD2 3.82Å; E262-R509 VanDerWaalsContact CD-NH2 3.26Å; E262-R509 IonicContact OE1-CZ 2.75Å; E262-R509 IonicContact OE1-NE 3.14Å; E262-R509 PolarHBondContact OE1-NE 2.92Å; E262-R509 IonicContact OE1-NH2 3.98Å; E262-R509 PolarHBondContact OE1-NH2 2.68Å; E262-R509 IonicContact OE2-NH2 2.7Å; E262-R509 PolarHBondContact OE2-NH2 2.96Å
263	P	96.1	Very high	93.9	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.058	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.7	4.3	10.6	37.6	-37.9	0	0	0	116	T437 F440 L505 C508 Y512	P263-T437 VanDerWaalsContact CD-OG1 3.31Å; P263-T437 WeakPolarHBondContact CD-OG1 3.47Å; P263-F440 HydrophobicContact CG-CB 4.27Å; P263-F440 HydrophobicContact CG-CD1 3.96Å; P263-F440 HydrophobicContact CG-CG 4.13Å; P263-L505 HydrophobicContact CB-CD2 4.49Å; P263-C508 HydrophobicContact CB-CB 3.52Å; P263-C508 HydrophobicContact CG-CB 4.1Å; P263-Y512 PolarHBondContact O-OH 3.14Å
264	L	96.3	Very high	93.7	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	-72	139.7	-176.1	-173.3	69.7	0	0	0	111.7	H261 L268 L269 Y436 V439 F440	H261-L264 PolarHBondContact CE1-O 3.05Å; H261-L264 VanDerWaalsContact CE1-O 3.31Å; H261-L264 PolarHBondContact ND1-O 3.47Å; H261-L264 WeakPolarHBondContact O-CA 3.46Å; H261-L264 WeakPolarHBondContact O-CB 3.36Å; H261-L264 PolarHBondContact O-N 3.2Å; H261-L264 VanDerWaalsContact O-O 3.11Å; L264-L268 HydrophobicContact CD1-CB 3.54Å; L264-L268 HydrophobicContact CD1-CD1 3.89Å; L264-L268 HydrophobicContact CD1-CG 4.38Å; L264-L268 HydrophobicContact CG-CB 4.12Å; L264-L269 HydrophobicContact CD2-CB 3.71Å; L264-L269 HydrophobicContact CD2-CD1 4.04Å; L264-L269 HydrophobicContact CD2-CG 4.42Å; L264-L269 HydrophobicContact CG-CB 4.4Å; L264-Y436 HydrophobicContact CD2-CD1 3.98Å; L264-V439 HydrophobicContact CD1-CB 4.33Å; L264-V439 HydrophobicContact CD1-CG1 3.9Å; L264-V439 HydrophobicContact CD2-CB 3.87Å; L264-V439 HydrophobicContact CD2-CG1 3.54Å; L264-V439 HydrophobicContact CG-CG1 4.39Å; L264-F440 HydrophobicContact CD1-CB 4.05Å
265	E	95.1	Very high	93.6	Very high	73 Å²	73	47.8 Å²	47.8	34%	0.341	24%	0.244	S	C	.	.			trans	-79.8	150.2	172.5	-72.8	177.3	-133.3	0	0	112.9	H267 L268 L269 Y512	E265-H267 PolarHBondContact O-N 3Å; E265-H267 VanDerWaalsContact O-N 3.15Å; E265-H267 IonicContact OE2-CE1 3.28Å; E265-H267 PolarHBondContact OE2-CE1 3.36Å; E265-H267 IonicContact OE2-ND1 2.81Å; E265-H267 PolarHBondContact OE2-ND1 3.32Å; E265-H267 VanDerWaalsContact OE2-ND1 3.13Å; E265-L268 HydrophobicContact CB-CD1 4.43Å; E265-L268 PolarHBondContact O-N 3.33Å; E265-L268 VanDerWaalsContact O-N 3.1Å; E265-L269 PolarHBondContact O-N 2.75Å; E265-Y512 WeakPolarHBondContact OE1-CE1 3.48Å; E265-Y512 PolarHBondContact OE1-OH 3.38Å
266	C	94.6	Very high	93.4	Very high	44 Å²	44	44.7 Å²	44.7	30%	0.297	23%	0.23	S	C	.	.	H	α-helix	trans	-52.3	-41	-177.6	-66.1	0	0	0	0	113.5	C253 C256 H261 L269 K270	C253-C266 PolarHBondContact SG-SG 3.26Å; C256-C266 HydrophobicContact CB-CB 3.98Å; H261-C266 PolarHBondContact CE1-SG 2.76Å; H261-C266 PolarHBondContact NE2-SG 3.17Å; C266-L269 PolarHBondContact O-N 3.39Å; C266-K270 PolarHBondContact O-N 2.97Å
267	H	94.4	Very high	93	Very high	94 Å²	94	48.8 Å²	48.8	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-67.8	-37.7	-176.3	75.9	-88.2	0	0	0	111.8	E265 K270 Q271	E265-H267 PolarHBondContact O-N 3Å; E265-H267 VanDerWaalsContact O-N 3.15Å; E265-H267 IonicContact OE2-CE1 3.28Å; E265-H267 PolarHBondContact OE2-CE1 3.36Å; E265-H267 IonicContact OE2-ND1 2.81Å; E265-H267 PolarHBondContact OE2-ND1 3.32Å; E265-H267 VanDerWaalsContact OE2-ND1 3.13Å; H267-K270 PolarHBondContact O-N 2.96Å; H267-Q271 WeakPolarHBondContact O-CG 3.49Å; H267-Q271 PolarHBondContact O-N 3.44Å; H267-Q271 VanDerWaalsContact O-N 3.12Å
268	L	95.7	Very high	92.3	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-39.1	175.5	-60.6	174.9	0	0	0	111.5	L264 E265 K270 Q271 W272 Y443 F519	L264-L268 HydrophobicContact CD1-CB 3.54Å; L264-L268 HydrophobicContact CD1-CD1 3.89Å; L264-L268 HydrophobicContact CD1-CG 4.38Å; L264-L268 HydrophobicContact CG-CB 4.12Å; E265-L268 HydrophobicContact CB-CD1 4.43Å; E265-L268 PolarHBondContact O-N 3.33Å; E265-L268 VanDerWaalsContact O-N 3.1Å; L268-K270 VanDerWaalsContact C-N 3.32Å; L268-K270 PolarHBondContact O-N 3.19Å; L268-Q271 PolarHBondContact O-N 2.88Å; L268-W272 WeakPolarHBondContact O-CB 3.47Å; L268-W272 PolarHBondContact O-N 3.32Å; L268-Y443 HydrophobicContact CB-CD2 4.05Å; L268-Y443 HydrophobicContact CB-CE2 4.13Å; L268-Y443 HydrophobicContact CD2-CD1 4.14Å; L268-Y443 HydrophobicContact CD2-CD2 4.16Å; L268-Y443 HydrophobicContact CD2-CG 3.96Å; L268-Y443 HydrophobicContact CG-CD2 4.48Å; L268-F519 HydrophobicContact CD1-CD1 3.91Å; L268-F519 HydrophobicContact CD1-CE1 3.37Å; L268-F519 HydrophobicContact CD1-CZ 4.06Å; L268-F519 HydrophobicContact CD2-CD1 4.47Å
269	L	95.5	Very high	91.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-45.2	173.6	179.4	55.4	0	0	0	111.3	Q258 H261 L264 E265 C266 Q271 W272 I273 Y436	Q258-L269 HydrophobicContact CB-CD2 3.76Å; Q258-L269 HydrophobicContact CG-CD2 4.02Å; H261-L269 HydrophobicContact CB-CD2 3.91Å; H261-L269 WeakPolarHBondContact CD2-CD2 3.29Å; L264-L269 HydrophobicContact CD2-CB 3.71Å; L264-L269 HydrophobicContact CD2-CD1 4.04Å; L264-L269 HydrophobicContact CD2-CG 4.42Å; L264-L269 HydrophobicContact CG-CB 4.4Å; E265-L269 PolarHBondContact O-N 2.75Å; C266-L269 PolarHBondContact O-N 3.39Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.46Å; L269-W272 WeakPolarHBondContact O-CB 3.45Å; L269-W272 PolarHBondContact O-N 3.47Å; L269-W272 VanDerWaalsContact O-N 3.16Å; L269-I273 HydrophobicContact CD1-CD1 3.88Å; L269-I273 HydrophobicContact CD1-CG1 4.02Å; L269-I273 HydrophobicContact CG-CD1 3.87Å; L269-I273 HydrophobicContact CG-CG1 4.43Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.16Å; L269-Y436 HydrophobicContact CD1-CD1 4.26Å; L269-Y436 HydrophobicContact CD1-CE1 3.68Å; L269-Y436 HydrophobicContact CD2-CE1 4.15Å
270	K	93.6	Very high	90	Very high	164 Å²	164	47.9 Å²	47.9	71%	0.713	25%	0.254	S	S	*	.	H	α-helix	trans	-59.2	-44.2	177	-174.2	179.9	179.9	-179.8	0	111.8	C266 H267 L268 W272 A274	C266-K270 PolarHBondContact O-N 2.97Å; H267-K270 PolarHBondContact O-N 2.96Å; L268-K270 VanDerWaalsContact C-N 3.32Å; L268-K270 PolarHBondContact O-N 3.19Å; K270-W272 VanDerWaalsContact C-N 3.34Å; K270-A274 WeakPolarHBondContact O-CB 3.34Å; K270-A274 PolarHBondContact O-N 3.44Å; K270-A274 VanDerWaalsContact O-N 3.13Å
271	Q	94.4	Very high	88.4	Confident	59 Å²	59	51.5 Å²	51.5	28%	0.276	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-40.8	175	-70.4	-174.6	7.9	0	0	112.1	H267 L268 L269 K275 Y443 D522	H267-Q271 WeakPolarHBondContact O-CG 3.49Å; H267-Q271 PolarHBondContact O-N 3.44Å; H267-Q271 VanDerWaalsContact O-N 3.12Å; L268-Q271 PolarHBondContact O-N 2.88Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.46Å; Q271-K275 WeakPolarHBondContact O-CB 3.14Å; Q271-K275 PolarHBondContact O-N 3.37Å; Q271-Y443 VanDerWaalsContact CB-OH 3.3Å; Q271-Y443 WeakPolarHBondContact CB-OH 3.02Å; Q271-D522 PolarHBondContact NE2-OD1 3.4Å; Q271-D522 VanDerWaalsContact NE2-OD1 3.13Å; Q271-D522 PolarHBondContact NE2-OD2 2.81Å; Q271-D522 PolarHBondContact OE1-OD1 2.85Å
272	W	94.5	Very high	86.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-47.7	179.9	-179.3	-98.8	0	0	0	111.8	L268 L269 K270 K275 C276 F375 F378 Y382 V439 Y442 Y443	L268-W272 WeakPolarHBondContact O-CB 3.47Å; L268-W272 PolarHBondContact O-N 3.32Å; L269-W272 WeakPolarHBondContact O-CB 3.45Å; L269-W272 PolarHBondContact O-N 3.47Å; L269-W272 VanDerWaalsContact O-N 3.16Å; K270-W272 VanDerWaalsContact C-N 3.34Å; W272-K275 PolarHBondContact O-N 3.43Å; W272-C276 PolarHBondContact O-N 3.15Å; W272-C276 PolarHBondContact O-SG 2.71Å; W272-F375 HydrophobicContact CE3-CD2 4.41Å; W272-F375 HydrophobicContact CE3-CE2 4.14Å; W272-F375 AromaticContact CH2-CD2 3.97Å; W272-F375 HydrophobicContact CH2-CD2 3.97Å; W272-F375 AromaticContact CH2-CE2 3.9Å; W272-F375 HydrophobicContact CH2-CE2 3.9Å; W272-F375 HydrophobicContact CZ2-CE2 4.39Å; W272-F375 AromaticContact CZ3-CD2 3.71Å; W272-F375 HydrophobicContact CZ3-CD2 3.71Å; W272-F375 AromaticContact CZ3-CE2 3.77Å; W272-F375 HydrophobicContact CZ3-CE2 3.77Å; W272-F378 HydrophobicContact CH2-CB 3.8Å; W272-F378 HydrophobicContact CZ3-CB 4.46Å; W272-Y382 HydrophobicContact CZ2-CG 4.17Å; W272-Y382 AromaticContact NE1-CD1 3.85Å; W272-Y382 AromaticContact NE1-CD2 3.72Å; W272-Y382 AromaticContact NE1-CE1 3.87Å; W272-Y382 AromaticContact NE1-CE2 3.72Å; W272-Y382 AromaticContact NE1-CG 3.78Å; W272-Y382 AromaticContact NE1-CZ 3.81Å; W272-V439 HydrophobicContact CB-CG1 3.72Å; W272-V439 HydrophobicContact CD2-CB 4.29Å; W272-V439 HydrophobicContact CD2-CG1 3.59Å; W272-V439 HydrophobicContact CD2-CG2 3.79Å; W272-V439 HydrophobicContact CE3-CG1 3.82Å; W272-V439 HydrophobicContact CE3-CG2 4.42Å; W272-V439 HydrophobicContact CG-CB 4.45Å; W272-V439 HydrophobicContact CG-CG1 3.54Å; W272-V439 HydrophobicContact CG-CG2 3.99Å; W272-V439 HydrophobicContact CZ2-CG2 4.01Å; W272-Y442 AromaticContact CE3-CD1 3.83Å; W272-Y442 HydrophobicContact CE3-CD1 3.83Å; W272-Y442 HydrophobicContact CE3-CE1 4.13Å; W272-Y442 HydrophobicContact CE3-CG 4.29Å; W272-Y442 HydrophobicContact CH2-CG 4.48Å; W272-Y442 AromaticContact CZ3-CD1 3.56Å; W272-Y442 HydrophobicContact CZ3-CD1 3.56Å; W272-Y442 AromaticContact CZ3-CD2 3.96Å; W272-Y442 HydrophobicContact CZ3-CD2 3.96Å; W272-Y442 AromaticContact CZ3-CE1 3.92Å; W272-Y442 HydrophobicContact CZ3-CE1 3.92Å; W272-Y442 HydrophobicContact CZ3-CE2 4.29Å; W272-Y442 AromaticContact CZ3-CG 3.6Å; W272-Y442 HydrophobicContact CZ3-CG 3.6Å; W272-Y443 WeakPolarHBondContact CA-OH 3.37Å; W272-Y443 HydrophobicContact CB-CE2 4.22Å; W272-Y443 HydrophobicContact CE3-CE2 4.22Å; W272-Y443 PolarHBondContact N-OH 3.16Å; W272-Y443 VanDerWaalsContact N-OH 3.11Å
273	I	91.6	Very high	85.3	Confident	47 Å²	47	52.1 Å²	52.1	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-50.6	177.4	-67.8	168.8	0	0	0	110.1	L269 K275 C276 E277	L269-I273 HydrophobicContact CD1-CD1 3.88Å; L269-I273 HydrophobicContact CD1-CG1 4.02Å; L269-I273 HydrophobicContact CG-CD1 3.87Å; L269-I273 HydrophobicContact CG-CG1 4.43Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.16Å; I273-K275 PolarHBondContact O-N 3.49Å; I273-C276 WeakPolarHBondContact O-CB 3.45Å; I273-C276 PolarHBondContact O-N 3.15Å; I273-C276 VanDerWaalsContact O-N 3.1Å; I273-E277 WeakPolarHBondContact CG2-OE1 3.18Å; I273-E277 WeakPolarHBondContact O-CG 3.41Å; I273-E277 PolarHBondContact O-N 3.27Å
274	A	89.8	Confident	83.4	Confident	52 Å²	52	57.4 Å²	57.4	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-36.7	178	0	0	0	0	0	112.4	K270 A278	K270-A274 WeakPolarHBondContact O-CB 3.34Å; K270-A274 PolarHBondContact O-N 3.44Å; K270-A274 VanDerWaalsContact O-N 3.13Å; A274-A278 WeakPolarHBondContact O-CB 3.39Å; A274-A278 PolarHBondContact O-N 3.49Å; A274-A278 VanDerWaalsContact O-N 3.1Å
275	K	89.4	Confident	81.9	Confident	47 Å²	47	62.7 Å²	62.7	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-69.7	-41.1	175.9	-169.7	173.6	177.6	176.3	0	112.2	Q271 W272 I273 E277 E279 F375 Y442	Q271-K275 WeakPolarHBondContact O-CB 3.14Å; Q271-K275 PolarHBondContact O-N 3.37Å; W272-K275 PolarHBondContact O-N 3.43Å; I273-K275 PolarHBondContact O-N 3.49Å; K275-E277 VanDerWaalsContact C-N 3.35Å; K275-E279 HydrophobicContact CG-CG 4.15Å; K275-E279 VanDerWaalsContact O-CB 3.32Å; K275-E279 WeakPolarHBondContact O-CB 3.46Å; K275-E279 WeakPolarHBondContact O-CG 3.48Å; K275-E279 PolarHBondContact O-N 2.93Å; K275-F375 HydrophobicContact CB-CE2 4.11Å; K275-F375 HydrophobicContact CB-CZ 4.37Å; K275-F375 HydrophobicContact CD-CD2 3.47Å; K275-F375 VanDerWaalsContact CD-CD2 3.47Å; K275-F375 HydrophobicContact CD-CE2 3.51Å; K275-F375 HydrophobicContact CD-CG 4.06Å; K275-F375 HydrophobicContact CD-CZ 4.14Å; K275-F375 HydrophobicContact CG-CD2 4.03Å; K275-F375 HydrophobicContact CG-CE1 4.36Å; K275-F375 HydrophobicContact CG-CE2 3.55Å; K275-F375 HydrophobicContact CG-CZ 3.74Å; K275-Y442 PolarHBondContact NZ-OH 3.2Å
276	C	86	Confident	80.3	Confident	31 Å²	31	61 Å²	61	21%	0.209	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-40.6	174.6	-74.1	0	0	0	0	112.4	W272 I273 S280	W272-C276 PolarHBondContact O-N 3.15Å; W272-C276 PolarHBondContact O-SG 2.71Å; I273-C276 WeakPolarHBondContact O-CB 3.45Å; I273-C276 PolarHBondContact O-N 3.15Å; I273-C276 VanDerWaalsContact O-N 3.1Å; C276-S280 VanDerWaalsContact O-CB 3.22Å; C276-S280 WeakPolarHBondContact O-CB 3.33Å; C276-S280 PolarHBondContact O-N 3.09Å
277	E	81.3	Confident	78.8	Confident	124 Å²	124	61 Å²	61	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-62	-53.1	175.6	-71.6	170.2	176.1	0	0	110.7	I273 K275 E279 S280	I273-E277 WeakPolarHBondContact CG2-OE1 3.18Å; I273-E277 WeakPolarHBondContact O-CG 3.41Å; I273-E277 PolarHBondContact O-N 3.27Å; K275-E277 VanDerWaalsContact C-N 3.35Å; E277-E279 PolarHBondContact O-N 3.23Å; E277-S280 PolarHBondContact O-N 2.96Å
278	A	77.2	Confident	77.2	Confident	59 Å²	59	61.3 Å²	61.3	49%	0.488	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-37.6	-178.6	0	0	0	0	0	114.2	A274 S282	A274-A278 WeakPolarHBondContact O-CB 3.39Å; A274-A278 PolarHBondContact O-N 3.49Å; A274-A278 VanDerWaalsContact O-N 3.1Å; A278-S282 PolarHBondContact O-OG 2.9Å
279	E	72.1	Confident	75.9	Confident	33 Å²	33	65 Å²	65	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-82.9	-24.5	-178	-65.5	-85.6	179.3	0	0	112.3	K275 E277 D281 S282 A283 F375 Y376	K275-E279 HydrophobicContact CG-CG 4.15Å; K275-E279 VanDerWaalsContact O-CB 3.32Å; K275-E279 WeakPolarHBondContact O-CB 3.46Å; K275-E279 WeakPolarHBondContact O-CG 3.48Å; K275-E279 PolarHBondContact O-N 2.93Å; E277-E279 PolarHBondContact O-N 3.23Å; E279-D281 VanDerWaalsContact C-N 3.33Å; E279-S282 PolarHBondContact O-N 2.86Å; E279-A283 WeakPolarHBondContact O-CB 3.29Å; E279-A283 PolarHBondContact O-N 2.7Å; E279-F375 HydrophobicContact CB-CD1 4.39Å; E279-F375 HydrophobicContact CB-CE1 3.53Å; E279-F375 HydrophobicContact CB-CZ 4.17Å; E279-F375 HydrophobicContact CG-CD1 4.04Å; E279-F375 HydrophobicContact CG-CE1 3.51Å; E279-F375 HydrophobicContact CG-CZ 4.11Å; E279-Y376 PolarHBondContact OE2-OH 2.63Å
280	S	66.7	Low	74.9	Confident	65 Å²	65	65.7 Å²	65.7	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-43.9	173.6	-174.9	0	0	0	0	111.2	C276 E277 A283 H284	C276-S280 VanDerWaalsContact O-CB 3.22Å; C276-S280 WeakPolarHBondContact O-CB 3.33Å; C276-S280 PolarHBondContact O-N 3.09Å; E277-S280 PolarHBondContact O-N 2.96Å; S280-A283 PolarHBondContact O-N 3.41Å; S280-H284 WeakPolarHBondContact O-CB 3.24Å; S280-H284 PolarHBondContact O-N 3.23Å
281	D	60.9	Low	73.9	Confident	120 Å²	120	62.4 Å²	62.4	64%	0.642	34%	0.335	S	S	*	.	H	α-helix	trans	-64.6	-42.2	177.2	-65.5	-14.8	0	0	0	111.2	E279 A283 H284 W285	E279-D281 VanDerWaalsContact C-N 3.33Å; D281-A283 PolarHBondContact O-N 2.96Å; D281-H284 PolarHBondContact O-N 3.18Å; D281-W285 WeakPolarHBondContact O-CB 3.27Å; D281-W285 PolarHBondContact O-N 2.84Å
282	S	64.5	Low	73.1	Confident	56 Å²	56	60.6 Å²	60.6	39%	0.392	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.7	-59.7	0	0	0	0	111.8	A278 E279 W285 I286	A278-S282 PolarHBondContact O-OG 2.9Å; E279-S282 PolarHBondContact O-N 2.86Å; S282-W285 PolarHBondContact O-N 2.79Å; S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.38Å; S282-I286 PolarHBondContact O-N 3.46Å
283	A	62.3	Low	72.3	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-74.2	-35.9	-178.1	0	0	0	0	0	112.7	E279 S280 D281 W285 I286 A287 F358 F362 Y376	E279-A283 WeakPolarHBondContact O-CB 3.29Å; E279-A283 PolarHBondContact O-N 2.7Å; S280-A283 PolarHBondContact O-N 3.41Å; D281-A283 PolarHBondContact O-N 2.96Å; A283-W285 VanDerWaalsContact C-N 3.35Å; A283-I286 PolarHBondContact O-N 3.2Å; A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 3.38Å; A283-F358 HydrophobicContact CB-CE2 3.47Å; A283-F358 VanDerWaalsContact CB-CE2 3.47Å; A283-F358 HydrophobicContact CB-CZ 3.79Å; A283-F362 HydrophobicContact CB-CE2 4.03Å; A283-F362 HydrophobicContact CB-CZ 3.73Å; A283-Y376 HydrophobicContact CB-CE1 4.32Å
284	H	56.3	Low	71.8	Confident	120 Å²	120	61.1 Å²	61.1	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-62.6	-44.3	171.4	-163.5	-70.3	0	0	0	110.6	S280 D281 I286 A287 D288	S280-H284 WeakPolarHBondContact O-CB 3.24Å; S280-H284 PolarHBondContact O-N 3.23Å; D281-H284 PolarHBondContact O-N 3.18Å; H284-I286 PolarHBondContact O-N 2.82Å; H284-A287 PolarHBondContact O-N 3.38Å; H284-D288 IonicContact CE1-OD1 2.86Å; H284-D288 IonicContact CE1-OD2 3.72Å; H284-D288 PolarHBondContact CE1-OD2 3.43Å; H284-D288 IonicContact CG-OD2 2.71Å; H284-D288 IonicContact ND1-OD1 3.63Å; H284-D288 IonicContact ND1-OD2 3.13Å; H284-D288 PolarHBondContact ND1-OD2 3.49Å; H284-D288 WeakPolarHBondContact O-CB 3.34Å; H284-D288 VanDerWaalsContact O-CG 3.27Å; H284-D288 PolarHBondContact O-N 3.37Å
285	W	63.2	Low	71.1	Confident	117 Å²	117	66.8 Å²	66.8	44%	0.443	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-45.5	177.1	-171.9	90.3	0	0	0	112.4	D281 S282 A283 A287 D288 H289 T290	D281-W285 WeakPolarHBondContact O-CB 3.27Å; D281-W285 PolarHBondContact O-N 2.84Å; S282-W285 PolarHBondContact O-N 2.79Å; A283-W285 VanDerWaalsContact C-N 3.35Å; W285-A287 VanDerWaalsContact C-N 3.34Å; W285-A287 PolarHBondContact O-N 3.26Å; W285-D288 PolarHBondContact O-N 3.46Å; W285-H289 AromaticContact CD1-CE1 3.58Å; W285-H289 AromaticContact CD1-ND1 3.45Å; W285-H289 HydrophobicContact CD2-CB 4.38Å; W285-H289 AromaticContact CD2-ND1 3.88Å; W285-H289 AromaticContact CE2-CG 3.86Å; W285-H289 AromaticContact CE2-ND1 3.77Å; W285-H289 AromaticContact CG-ND1 3.7Å; W285-H289 HydrophobicContact CH2-CB 4.3Å; W285-H289 HydrophobicContact CZ2-CB 4.1Å; W285-H289 AromaticContact NE1-CE1 3.65Å; W285-H289 AromaticContact NE1-CG 3.86Å; W285-H289 AromaticContact NE1-ND1 3.48Å; W285-H289 PolarHBondContact NE1-ND1 2.89Å; W285-H289 WeakPolarHBondContact O-CB 3.39Å; W285-H289 PolarHBondContact O-N 2.9Å; W285-H289 PolarHBondContact O-ND1 3.41Å; W285-T290 HydrophobicContact CZ3-CG2 4.35Å
286	I	63.2	Low	70.4	Confident	37 Å²	37	66.3 Å²	66.3	19%	0.19	35%	0.348	C	S	.	.	H	α-helix	trans	-60.6	-43.7	176.5	-68.7	166.5	0	0	0	110.8	S282 A283 H284 D288 T290 N299 V361 F362	S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.38Å; S282-I286 PolarHBondContact O-N 3.46Å; A283-I286 PolarHBondContact O-N 3.2Å; H284-I286 PolarHBondContact O-N 2.82Å; I286-D288 VanDerWaalsContact C-N 3.31Å; I286-D288 PolarHBondContact O-N 3.49Å; I286-T290 WeakPolarHBondContact CG2-OG1 3.27Å; I286-T290 WeakPolarHBondContact O-CB 3.39Å; I286-T290 PolarHBondContact O-N 3.32Å; I286-T290 PolarHBondContact O-OG1 3.04Å; I286-N299 WeakPolarHBondContact CG2-ND2 3.42Å; I286-V361 HydrophobicContact CG2-CG1 4.46Å; I286-F362 HydrophobicContact CD1-CZ 4.16Å
287	A	62.5	Low	69.7	Low	46 Å²	46	67.4 Å²	67.4	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-34.9	179.5	0	0	0	0	0	112.8	A283 H284 W285	A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 3.38Å; H284-A287 PolarHBondContact O-N 3.38Å; W285-A287 VanDerWaalsContact C-N 3.34Å; W285-A287 PolarHBondContact O-N 3.26Å
288	D	61.7	Low	69.1	Low	100 Å²	100	63.4 Å²	63.4	54%	0.535	34%	0.335	S	S	.	.	H	α-helix	trans	-80.7	-36.1	-178.7	-70.3	-15.6	0	0	0	113.3	H284 W285 I286	H284-D288 IonicContact CE1-OD1 2.86Å; H284-D288 IonicContact CE1-OD2 3.72Å; H284-D288 PolarHBondContact CE1-OD2 3.43Å; H284-D288 IonicContact CG-OD2 2.71Å; H284-D288 IonicContact ND1-OD1 3.63Å; H284-D288 IonicContact ND1-OD2 3.13Å; H284-D288 PolarHBondContact ND1-OD2 3.49Å; H284-D288 WeakPolarHBondContact O-CB 3.34Å; H284-D288 VanDerWaalsContact O-CG 3.27Å; H284-D288 PolarHBondContact O-N 3.37Å; W285-D288 PolarHBondContact O-N 3.46Å; I286-D288 VanDerWaalsContact C-N 3.31Å; I286-D288 PolarHBondContact O-N 3.49Å
289	H	67.5	Low	68.7	Low	83 Å²	83	62.6 Å²	62.6	38%	0.384	32%	0.323	S	S	.	.	H	α-helix	trans	-108.7	-9.6	-167.6	-59.1	84.5	0	0	0	114	W285	W285-H289 AromaticContact CD1-CE1 3.58Å; W285-H289 AromaticContact CD1-ND1 3.45Å; W285-H289 HydrophobicContact CD2-CB 4.38Å; W285-H289 AromaticContact CD2-ND1 3.88Å; W285-H289 AromaticContact CE2-CG 3.86Å; W285-H289 AromaticContact CE2-ND1 3.77Å; W285-H289 AromaticContact CG-ND1 3.7Å; W285-H289 HydrophobicContact CH2-CB 4.3Å; W285-H289 HydrophobicContact CZ2-CB 4.1Å; W285-H289 AromaticContact NE1-CE1 3.65Å; W285-H289 AromaticContact NE1-CG 3.86Å; W285-H289 AromaticContact NE1-ND1 3.48Å; W285-H289 PolarHBondContact NE1-ND1 2.89Å; W285-H289 WeakPolarHBondContact O-CB 3.39Å; W285-H289 PolarHBondContact O-N 2.9Å; W285-H289 PolarHBondContact O-ND1 3.41Å
290	T	73.9	Confident	68.7	Low	15 Å²	15	61.7 Å²	61.7	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.6	-177.6	78.8	0	0	0	0	112.3	W285 I286 N299 I300 E301	W285-T290 HydrophobicContact CZ3-CG2 4.35Å; I286-T290 WeakPolarHBondContact CG2-OG1 3.27Å; I286-T290 WeakPolarHBondContact O-CB 3.39Å; I286-T290 PolarHBondContact O-N 3.32Å; I286-T290 PolarHBondContact O-OG1 3.04Å; T290-N299 PolarHBondContact OG1-ND2 3.17Å; T290-I300 VanDerWaalsContact CA-O 3.27Å; T290-I300 WeakPolarHBondContact CA-O 3.12Å; T290-E301 HydrophobicContact CG2-CB 4.28Å
291	R	73.6	Confident	69.4	Low	95 Å²	95	64 Å²	64	36%	0.358	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.7	168.4	-65.8	-173.3	177.7	-146.7	-9.2	109.4	I300 W322 T323 Q325	R291-I300 PolarHBondContact N-O 2.93Å; R291-I300 PolarHBondContact O-N 2.86Å; R291-W322 HydrophobicContact CB-CE3 4.12Å; R291-W322 HydrophobicContact CB-CH2 3.78Å; R291-W322 HydrophobicContact CB-CZ2 4.2Å; R291-W322 HydrophobicContact CB-CZ3 3.71Å; R291-W322 WeakPolarHBondContact CD-O 3.31Å; R291-W322 HydrophobicContact CG-CD2 4.35Å; R291-W322 HydrophobicContact CG-CE3 4.32Å; R291-W322 HydrophobicContact CG-CH2 3.7Å; R291-W322 HydrophobicContact CG-CZ2 3.6Å; R291-W322 HydrophobicContact CG-CZ3 4.05Å; R291-W322 PolarHBondContact NH1-O 2.87Å; R291-T323 PolarHBondContact NH1-O 3.16Å; R291-T323 VanDerWaalsContact NH1-O 3.09Å; R291-Q325 VanDerWaalsContact CD-NE2 3.3Å
292	P	76.1	Confident	69.9	Low	22 Å²	22	61.5 Å²	61.5	14%	0.143	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.3	177.4	28.3	-33	0	0	0	111.1	N297 T298 Q325 F357	P292-N297 VanDerWaalsContact CB-OD1 3.24Å; P292-N297 WeakPolarHBondContact CB-OD1 3.49Å; P292-T298 CarbonylContact C-O 3.59Å; P292-Q325 PolarHBondContact O-OE1 3.4Å; P292-F357 HydrophobicContact CG-CE2 4.38Å
293	C	77.6	Confident	70	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.325	C	S	.	.			trans	-60	126	169.9	176	0	0	0	0	109.8	R295 C296 N297 T298 I300 C311 C316	C293-R295 PolarHBondContact O-N 2.87Å; C293-C296 PolarHBondContact O-N 3.33Å; C293-C296 VanDerWaalsContact SG-SG 3.68Å; C293-N297 WeakPolarHBondContact O-CA 3.42Å; C293-N297 PolarHBondContact O-N 3.42Å; C293-T298 PolarHBondContact N-O 3.32Å; C293-I300 HydrophobicContact CB-CD1 3.77Å; C293-C311 HydrophobicContact CB-CB 4.35Å; C293-C316 VanDerWaalsContact SG-SG 3.6Å
294	P	82.8	Confident	70.2	Confident	58 Å²	58	66.4 Å²	66.4	38%	0.377	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.7	-177.6	24.7	-35.8	0	0	0	114.1	F318 F320 Q325	P294-F318 HydrophobicContact CB-CE1 4.36Å; P294-F318 HydrophobicContact CG-CD1 3.72Å; P294-F318 HydrophobicContact CG-CE1 3.54Å; P294-F320 HydrophobicContact CG-CB 3.68Å; P294-F320 HydrophobicContact CG-CD1 4.16Å; P294-F320 HydrophobicContact CG-CD2 3.82Å; P294-F320 HydrophobicContact CG-CG 3.63Å; P294-Q325 WeakPolarHBondContact CB-O 3.44Å; P294-Q325 WeakPolarHBondContact CG-O 3.43Å
295	R	73.6	Confident	70.9	Confident	171 Å²	171	64.1 Å²	64.1	65%	0.645	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-46.9	177.1	-175.5	179.8	-64.9	-133	-2	113.7	C293 F318	C293-R295 PolarHBondContact O-N 2.87Å; R295-F318 HydrophobicContact CB-CB 3.75Å; R295-F318 HydrophobicContact CB-CD1 3.79Å; R295-F318 HydrophobicContact CB-CG 3.76Å; R295-F318 HydrophobicContact CG-CB 4.4Å; R295-F318 VanDerWaalsContact CZ-CD2 3.49Å
296	C	74.9	Confident	71.6	Confident	37 Å²	37	62 Å²	62	25%	0.25	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-2.4	-174.4	72	0	0	0	0	114.9	C293 T298 C311 F315 C316	C293-C296 PolarHBondContact O-N 3.33Å; C293-C296 VanDerWaalsContact SG-SG 3.68Å; C296-T298 PolarHBondContact O-N 3.05Å; C296-T298 PolarHBondContact SG-OG1 3.42Å; C296-C311 PolarHBondContact SG-SG 3.34Å; C296-F315 HydrophobicContact CB-CE2 3.86Å; C296-C316 HydrophobicContact CB-CB 3.77Å; C296-C316 VanDerWaalsContact CB-SG 3.58Å; C296-C316 PolarHBondContact SG-SG 2.82Å
297	N	71.3	Confident	72.4	Confident	54 Å²	54	61.6 Å²	61.6	29%	0.289	36%	0.358	S	S	.	.			trans	61.6	17.2	178.9	-147	43.5	0	0	0	115.8	P292 C293 H364	P292-N297 VanDerWaalsContact CB-OD1 3.24Å; P292-N297 WeakPolarHBondContact CB-OD1 3.49Å; C293-N297 WeakPolarHBondContact O-CA 3.42Å; C293-N297 PolarHBondContact O-N 3.42Å; N297-H364 WeakPolarHBondContact ND2-CB 3.36Å; N297-H364 PolarHBondContact ND2-CD2 2.71Å
298	T	68.9	Low	73.5	Confident	39 Å²	39	62.4 Å²	62.4	24%	0.239	35%	0.353	C	S	.	.			trans	-73.4	129.7	172	-54.6	0	0	0	0	109.9	P292 C293 C296 I300 Q313	P292-T298 CarbonylContact C-O 3.59Å; C293-T298 PolarHBondContact N-O 3.32Å; C296-T298 PolarHBondContact O-N 3.05Å; C296-T298 PolarHBondContact SG-OG1 3.42Å; T298-I300 PolarHBondContact O-N 2.97Å; T298-Q313 HydrophobicContact CG2-CG 3.87Å; T298-Q313 WeakPolarHBondContact OG1-CG 3.45Å
299	N	69.7	Low	74.6	Confident	43 Å²	43	58.3 Å²	58.3	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	128.4	174.8	-76.2	3.6	0	0	0	111.1	I286 T290 V361	I286-N299 WeakPolarHBondContact CG2-ND2 3.42Å; T290-N299 PolarHBondContact OG1-ND2 3.17Å; N299-V361 WeakPolarHBondContact ND2-CG1 3.43Å
300	I	71.4	Confident	75.3	Confident	13 Å²	13	60.8 Å²	60.8	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.1	178.5	-64.9	166	0	0	0	106.8	T290 R291 C293 T298 M309 C311 F320 W322	T290-I300 VanDerWaalsContact CA-O 3.27Å; T290-I300 WeakPolarHBondContact CA-O 3.12Å; R291-I300 PolarHBondContact N-O 2.93Å; R291-I300 PolarHBondContact O-N 2.86Å; C293-I300 HydrophobicContact CB-CD1 3.77Å; T298-I300 PolarHBondContact O-N 2.97Å; I300-M309 HydrophobicContact CG2-CE 4.21Å; I300-M309 HydrophobicContact CG2-SD 3.76Å; I300-C311 HydrophobicContact CD1-CB 4.13Å; I300-F320 HydrophobicContact CD1-CE1 3.59Å; I300-F320 HydrophobicContact CD1-CZ 3.68Å; I300-W322 HydrophobicContact CG2-CZ3 4.38Å; I300-W322 VanDerWaalsContact O-CH2 3.24Å; I300-W322 WeakPolarHBondContact O-CH2 3.35Å; I300-W322 VanDerWaalsContact O-CZ3 3.29Å; I300-W322 WeakPolarHBondContact O-CZ3 3.22Å
301	E	80.6	Confident	75.7	Confident	114 Å²	114	60 Å²	60	53%	0.533	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.9	168.1	-175.6	-178.6	169.7	0	0	109.1	T290 S303	T290-E301 HydrophobicContact CG2-CB 4.28Å; E301-S303 PolarHBondContact O-N 2.93Å
302	K	73.3	Confident	75.9	Confident	67 Å²	67	60.5 Å²	60.5	29%	0.291	35%	0.346	S	S	.	.			trans	-73.8	99.1	179.6	-159.6	-173.1	-175.2	-174.1	0	110.7	G304 G305 C306 M309 W322	K302-G304 VanDerWaalsContact C-N 3.34Å; K302-G304 WeakPolarHBondContact CD-O 3.32Å; K302-G304 WeakPolarHBondContact CE-O 3.22Å; K302-G304 WeakPolarHBondContact CG-O 3.45Å; K302-G304 PolarHBondContact O-N 3.05Å; K302-G304 VanDerWaalsContact O-N 3.11Å; K302-G305 PolarHBondContact NZ-O 2.75Å; K302-C306 WeakPolarHBondContact CE-O 3.14Å; K302-M309 HydrophobicContact CG-SD 4.4Å; K302-W322 HydrophobicContact CB-CD2 4.31Å; K302-W322 HydrophobicContact CB-CE3 4.46Å; K302-W322 HydrophobicContact CB-CH2 3.73Å; K302-W322 HydrophobicContact CB-CZ2 3.63Å; K302-W322 HydrophobicContact CB-CZ3 4.16Å; K302-W322 HydrophobicContact CD-CD2 4.16Å; K302-W322 HydrophobicContact CD-CG 4.17Å; K302-W322 HydrophobicContact CD-CZ2 4.41Å; K302-W322 HydrophobicContact CG-CD2 4.1Å; K302-W322 HydrophobicContact CG-CE3 4.45Å; K302-W322 HydrophobicContact CG-CG 4.49Å; K302-W322 HydrophobicContact CG-CZ2 4.27Å
303	S	65.5	Low	75.5	Confident	113 Å²	113	62.3 Å²	62.3	79%	0.79	35%	0.353	S	S	*	.			trans	-83.7	71.9	171.9	51.5	0	0	0	0	111.7	E301	E301-S303 PolarHBondContact O-N 2.93Å
304	G	67	Low	75	Confident	50 Å²	50	67.6 Å²	67.6	52%	0.515	39%	0.387	S	S	.	.	S	Bend	trans	123.9	-170.8	170.7	0	0	0	0	0	116	K302	K302-G304 VanDerWaalsContact C-N 3.34Å; K302-G304 WeakPolarHBondContact CD-O 3.32Å; K302-G304 WeakPolarHBondContact CE-O 3.22Å; K302-G304 WeakPolarHBondContact CG-O 3.45Å; K302-G304 PolarHBondContact O-N 3.05Å; K302-G304 VanDerWaalsContact O-N 3.11Å
305	G	69.9	Low	74.1	Confident	72 Å²	72	72.1 Å²	72.1	74%	0.742	40%	0.401	S	S	*	.	S	Bend	trans	-82.9	-18.2	-175.9	0	0	0	0	0	115.2	K302	K302-G305 PolarHBondContact NZ-O 2.75Å
306	C	78.6	Confident	73.9	Confident	74 Å²	74	64.7 Å²	64.7	50%	0.5	38%	0.375	S	S	.	.			trans	-68.6	141.3	-173.9	-163.3	0	0	0	0	112.2	K302 H308	K302-C306 WeakPolarHBondContact CE-O 3.14Å; C306-H308 VanDerWaalsContact SG-CB 3.54Å; C306-H308 PolarHBondContact SG-N 3.48Å; C306-H308 VanDerWaalsContact SG-N 3.39Å
307	N	80.9	Confident	74	Confident	28 Å²	28	66.2 Å²	66.2	15%	0.15	38%	0.379	C	S	.	.	S	Bend	trans	-82.6	-15.3	171.8	-72.5	-33	0	0	0	112.3	M309 C321 W322 T323 W328 Y336	N307-M309 PolarHBondContact O-N 2.69Å; N307-C321 CarbonylContact O-C 3.51Å; N307-C321 WeakPolarHBondContact O-CA 3.38Å; N307-W322 PolarHBondContact O-N 2.87Å; N307-T323 PolarHBondContact OD1-OG1 3.22Å; N307-W328 HydrophobicContact CB-CZ3 4.32Å; N307-Y336 PolarHBondContact ND2-O 2.99Å
308	H	84.4	Confident	74.7	Confident	62 Å²	62	65.1 Å²	65.1	29%	0.287	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115	172.3	-173.8	-151.8	0	0	0	110	C306 E319 W328	C306-H308 VanDerWaalsContact SG-CB 3.54Å; C306-H308 PolarHBondContact SG-N 3.48Å; C306-H308 VanDerWaalsContact SG-N 3.39Å; H308-E319 IonicContact CE1-OE2 3.62Å; H308-E319 PolarHBondContact CE1-OE2 2.97Å; H308-E319 VanDerWaalsContact CE1-OE2 3.29Å; H308-E319 IonicContact NE2-OE2 2.63Å; H308-E319 PolarHBondContact NE2-OE2 3.39Å; H308-W328 VanDerWaalsContact CA-CZ3 3.41Å; H308-W328 HydrophobicContact CB-CD2 3.91Å; H308-W328 HydrophobicContact CB-CE3 3.93Å; H308-W328 HydrophobicContact CB-CH2 3.54Å; H308-W328 HydrophobicContact CB-CZ2 3.49Å; H308-W328 VanDerWaalsContact CB-CZ2 3.49Å; H308-W328 HydrophobicContact CB-CZ3 3.76Å; H308-W328 AromaticContact CD2-CD1 3.39Å; H308-W328 AromaticContact CD2-CD2 3.17Å; H308-W328 AromaticContact CD2-CE2 3.44Å; H308-W328 VanDerWaalsContact CD2-CE2 3.44Å; H308-W328 AromaticContact CD2-CE3 3.77Å; H308-W328 AromaticContact CD2-CG 3.17Å; H308-W328 AromaticContact CD2-NE1 3.51Å; H308-W328 AromaticContact CE1-NE1 3.98Å; H308-W328 AromaticContact CG-CD2 3.69Å; H308-W328 AromaticContact CG-CE2 3.51Å; H308-W328 AromaticContact CG-CZ2 3.86Å; H308-W328 AromaticContact CG-NE1 3.75Å; H308-W328 AromaticContact NE2-CD1 3.33Å; H308-W328 VanDerWaalsContact NE2-CD1 3.33Å; H308-W328 AromaticContact NE2-CD2 3.96Å; H308-W328 AromaticContact NE2-CG 3.52Å; H308-W328 AromaticContact NE2-NE1 3.65Å
309	M	85	Confident	75.6	Confident	15 Å²	15	65.8 Å²	65.8	7%	0.074	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.9	175.1	-67.9	-106.7	77.3	0	0	109.1	I300 K302 N307 E319 F320 W322	I300-M309 HydrophobicContact CG2-CE 4.21Å; I300-M309 HydrophobicContact CG2-SD 3.76Å; K302-M309 HydrophobicContact CG-SD 4.4Å; N307-M309 PolarHBondContact O-N 2.69Å; M309-E319 CarbonylContact O-C 3.56Å; M309-E319 VanDerWaalsContact O-CA 3.27Å; M309-E319 WeakPolarHBondContact O-CA 3.49Å; M309-F320 HydrophobicContact CB-CD1 4.02Å; M309-F320 HydrophobicContact CB-CD2 4.35Å; M309-F320 HydrophobicContact CB-CE1 3.57Å; M309-F320 HydrophobicContact CB-CE2 3.95Å; M309-F320 HydrophobicContact CB-CG 4.38Å; M309-F320 HydrophobicContact CB-CZ 3.53Å; M309-F320 HydrophobicContact CG-CE2 4.4Å; M309-F320 HydrophobicContact CG-CZ 4.22Å; M309-F320 PolarHBondContact N-O 3.27Å; M309-F320 WeakPolarHBondContact O-CD1 3.46Å; M309-F320 PolarHBondContact O-N 2.86Å; M309-W322 HydrophobicContact CG-CB 3.9Å; M309-W322 HydrophobicContact CG-CD2 4.37Å; M309-W322 HydrophobicContact CG-CE3 3.71Å; M309-W322 HydrophobicContact SD-CD2 4.09Å; M309-W322 HydrophobicContact SD-CE3 3.18Å; M309-W322 HydrophobicContact SD-CZ3 3.53Å; M309-W322 VanDerWaalsContact SD-CZ3 3.53Å
310	R	83.2	Confident	76.4	Confident	134 Å²	134	63.7 Å²	63.7	51%	0.506	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.1	171.3	-178.3	172.4	174.8	149.5	-8.7	109.3	T312 F318 E319	R310-T312 PolarHBondContact O-N 3.44Å; R310-F318 WeakPolarHBondContact CA-O 3.5Å; R310-E319 HydrophobicContact CB-CG 4.03Å; R310-E319 WeakPolarHBondContact CD-OE1 3.36Å; R310-E319 HydrophobicContact CG-CG 3.84Å; R310-E319 IonicContact CZ-OE1 2.88Å; R310-E319 IonicContact NE-OE1 2.94Å; R310-E319 IonicContact NH1-OE1 3.15Å; R310-E319 PolarHBondContact NH1-OE1 3.44Å
311	C	81.1	Confident	77.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.358	C	S	.	.			trans	-64.3	123.2	178.2	-174	0	0	0	0	111	C293 C296 I300 Q313 C316 Q317 F318	C293-C311 HydrophobicContact CB-CB 4.35Å; C296-C311 PolarHBondContact SG-SG 3.34Å; I300-C311 HydrophobicContact CD1-CB 4.13Å; C311-Q313 PolarHBondContact O-N 3.07Å; C311-C316 HydrophobicContact CB-CB 4.17Å; C311-Q317 WeakPolarHBondContact O-CA 3.19Å; C311-F318 PolarHBondContact N-O 3.29Å
312	T	79.2	Confident	77.2	Confident	105 Å²	105	59 Å²	59	64%	0.644	34%	0.337	S	S	*	.			trans	-75.1	-10.5	-177.9	56	0	0	0	0	113.5	R310 P314	R310-T312 PolarHBondContact O-N 3.44Å; T312-P314 WeakPolarHBondContact O-CD 3.38Å
313	Q	67.5	Low	77.6	Confident	60 Å²	60	58.4 Å²	58.4	28%	0.28	34%	0.34	S	S	.	.	S	Bend	trans	-64.7	124.4	176.3	-66	-56.1	-59.2	0	0	110.1	T298 C311 F315 C316 Q317	T298-Q313 HydrophobicContact CG2-CG 3.87Å; T298-Q313 WeakPolarHBondContact OG1-CG 3.45Å; C311-Q313 PolarHBondContact O-N 3.07Å; Q313-F315 HydrophobicContact CB-CD1 4.1Å; Q313-F315 HydrophobicContact CB-CE1 3.7Å; Q313-F315 HydrophobicContact CB-CE2 4.35Å; Q313-F315 HydrophobicContact CB-CZ 3.83Å; Q313-F315 HydrophobicContact CG-CE1 4.05Å; Q313-F315 HydrophobicContact CG-CZ 3.98Å; Q313-F315 PolarHBondContact O-N 2.79Å; Q313-F315 VanDerWaalsContact O-N 3.09Å; Q313-C316 HydrophobicContact CB-CB 3.97Å; Q313-C316 PolarHBondContact O-N 2.78Å; Q313-Q317 PolarHBondContact O-N 2.88Å; Q313-Q317 VanDerWaalsContact O-N 3.16Å; Q313-Q317 PolarHBondContact O-NE2 3.37Å
314	P	65.7	Low	78.4	Confident	111 Å²	111	54 Å²	54	72%	0.721	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.5	-177.1	-28.1	34.6	0	0	0	114.1	T312	T312-P314 WeakPolarHBondContact O-CD 3.38Å
315	F	64.3	Low	79.2	Confident	152 Å²	152	54 Å²	54	67%	0.667	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-11.7	-179.2	63.2	-94	0	0	0	114.4	C296 Q313	C296-F315 HydrophobicContact CB-CE2 3.86Å; Q313-F315 HydrophobicContact CB-CD1 4.1Å; Q313-F315 HydrophobicContact CB-CE1 3.7Å; Q313-F315 HydrophobicContact CB-CE2 4.35Å; Q313-F315 HydrophobicContact CB-CZ 3.83Å; Q313-F315 HydrophobicContact CG-CE1 4.05Å; Q313-F315 HydrophobicContact CG-CZ 3.98Å; Q313-F315 PolarHBondContact O-N 2.79Å; Q313-F315 VanDerWaalsContact O-N 3.09Å
316	C	69.5	Low	79.9	Confident	15 Å²	15	51.5 Å²	51.5	10%	0.101	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-59.3	-175.8	-177.8	0	0	0	0	111.7	C293 C296 C311 Q313 F318	C293-C316 VanDerWaalsContact SG-SG 3.6Å; C296-C316 HydrophobicContact CB-CB 3.77Å; C296-C316 VanDerWaalsContact CB-SG 3.58Å; C296-C316 PolarHBondContact SG-SG 2.82Å; C311-C316 HydrophobicContact CB-CB 4.17Å; Q313-C316 HydrophobicContact CB-CB 3.97Å; Q313-C316 PolarHBondContact O-N 2.78Å; C316-F318 PolarHBondContact O-N 3.09Å
317	Q	77.3	Confident	80.3	Confident	69 Å²	69	49 Å²	49	32%	0.322	25%	0.254	S	S	.	.			trans	47.9	18.6	179.6	-61.4	-68.2	-40.1	0	0	115.2	C311 Q313 E319	C311-Q317 WeakPolarHBondContact O-CA 3.19Å; Q313-Q317 PolarHBondContact O-N 2.88Å; Q313-Q317 VanDerWaalsContact O-N 3.16Å; Q313-Q317 PolarHBondContact O-NE2 3.37Å; Q317-E319 PolarHBondContact O-N 2.8Å
318	F	84.9	Confident	80.5	Confident	31 Å²	31	49 Å²	49	14%	0.136	25%	0.252	C	S	.	.			trans	-70	132.9	-175.4	-174.5	-121	0	0	0	110.9	P294 R295 R310 C311 C316 F320 A327	P294-F318 HydrophobicContact CB-CE1 4.36Å; P294-F318 HydrophobicContact CG-CD1 3.72Å; P294-F318 HydrophobicContact CG-CE1 3.54Å; R295-F318 HydrophobicContact CB-CB 3.75Å; R295-F318 HydrophobicContact CB-CD1 3.79Å; R295-F318 HydrophobicContact CB-CG 3.76Å; R295-F318 HydrophobicContact CG-CB 4.4Å; R295-F318 VanDerWaalsContact CZ-CD2 3.49Å; R310-F318 WeakPolarHBondContact CA-O 3.5Å; C311-F318 PolarHBondContact N-O 3.29Å; C316-F318 PolarHBondContact O-N 3.09Å; F318-F320 HydrophobicContact CD1-CB 3.93Å; F318-F320 HydrophobicContact CD1-CD1 4.27Å; F318-F320 HydrophobicContact CD1-CG 4.45Å; F318-F320 HydrophobicContact CE1-CB 3.71Å; F318-A327 HydrophobicContact CE2-CB 4.22Å; F318-A327 HydrophobicContact CZ-CB 3.73Å
319	E	88.1	Confident	80.5	Confident	53 Å²	53	52.6 Å²	52.6	25%	0.248	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.1	176.8	-61	-169.8	-176.7	0	0	109.6	H308 M309 R310 Q317 W328	H308-E319 IonicContact CE1-OE2 3.62Å; H308-E319 PolarHBondContact CE1-OE2 2.97Å; H308-E319 VanDerWaalsContact CE1-OE2 3.29Å; H308-E319 IonicContact NE2-OE2 2.63Å; H308-E319 PolarHBondContact NE2-OE2 3.39Å; M309-E319 CarbonylContact O-C 3.56Å; M309-E319 VanDerWaalsContact O-CA 3.27Å; M309-E319 WeakPolarHBondContact O-CA 3.49Å; R310-E319 HydrophobicContact CB-CG 4.03Å; R310-E319 WeakPolarHBondContact CD-OE1 3.36Å; R310-E319 HydrophobicContact CG-CG 3.84Å; R310-E319 IonicContact CZ-OE1 2.88Å; R310-E319 IonicContact NE-OE1 2.94Å; R310-E319 IonicContact NH1-OE1 3.15Å; R310-E319 PolarHBondContact NH1-OE1 3.44Å; Q317-E319 PolarHBondContact O-N 2.8Å; E319-W328 HydrophobicContact CB-CB 3.88Å; E319-W328 PolarHBondContact O-N 3.4Å
320	F	87.1	Confident	80.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	161.3	-173.6	69.1	-79.1	0	0	0	111.6	P294 I300 M309 F318 G326	P294-F320 HydrophobicContact CG-CB 3.68Å; P294-F320 HydrophobicContact CG-CD1 4.16Å; P294-F320 HydrophobicContact CG-CD2 3.82Å; P294-F320 HydrophobicContact CG-CG 3.63Å; I300-F320 HydrophobicContact CD1-CE1 3.59Å; I300-F320 HydrophobicContact CD1-CZ 3.68Å; M309-F320 HydrophobicContact CB-CD1 4.02Å; M309-F320 HydrophobicContact CB-CD2 4.35Å; M309-F320 HydrophobicContact CB-CE1 3.57Å; M309-F320 HydrophobicContact CB-CE2 3.95Å; M309-F320 HydrophobicContact CB-CG 4.38Å; M309-F320 HydrophobicContact CB-CZ 3.53Å; M309-F320 HydrophobicContact CG-CE2 4.4Å; M309-F320 HydrophobicContact CG-CZ 4.22Å; M309-F320 PolarHBondContact N-O 3.27Å; M309-F320 WeakPolarHBondContact O-CD1 3.46Å; M309-F320 PolarHBondContact O-N 2.86Å; F318-F320 HydrophobicContact CD1-CB 3.93Å; F318-F320 HydrophobicContact CD1-CD1 4.27Å; F318-F320 HydrophobicContact CD1-CG 4.45Å; F318-F320 HydrophobicContact CE1-CB 3.71Å; F320-G326 CarbonylContact C-O 3.56Å; F320-G326 VanDerWaalsContact CA-O 3.23Å; F320-G326 WeakPolarHBondContact CA-O 3.29Å; F320-G326 WeakPolarHBondContact CB-O 3.11Å
321	C	85.4	Confident	80.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125	173.6	173.1	0	0	0	0	110.6	N307 T323 C324 Q325 G326 W328 H331	N307-C321 CarbonylContact O-C 3.51Å; N307-C321 WeakPolarHBondContact O-CA 3.38Å; C321-T323 PolarHBondContact O-N 3.31Å; C321-C324 VanDerWaalsContact CB-SG 3.55Å; C321-C324 VanDerWaalsContact SG-SG 3.67Å; C321-Q325 VanDerWaalsContact O-CA 3.23Å; C321-Q325 WeakPolarHBondContact O-CA 3.38Å; C321-Q325 PolarHBondContact O-N 2.97Å; C321-G326 PolarHBondContact N-O 2.84Å; C321-W328 HydrophobicContact CB-CE3 4.07Å; C321-W328 HydrophobicContact CB-CZ3 4.16Å; C321-H331 WeakPolarHBondContact CB-CE1 3.49Å; C321-H331 WeakPolarHBondContact CB-NE2 3.48Å; C321-H331 PolarHBondContact SG-NE2 3.46Å
322	W	83	Confident	79.2	Confident	27 Å²	27	54.3 Å²	54.3	10%	0.102	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-41.3	176.7	-177.4	-102.8	0	0	0	112.3	R291 I300 K302 N307 M309 Q325	R291-W322 HydrophobicContact CB-CE3 4.12Å; R291-W322 HydrophobicContact CB-CH2 3.78Å; R291-W322 HydrophobicContact CB-CZ2 4.2Å; R291-W322 HydrophobicContact CB-CZ3 3.71Å; R291-W322 WeakPolarHBondContact CD-O 3.31Å; R291-W322 HydrophobicContact CG-CD2 4.35Å; R291-W322 HydrophobicContact CG-CE3 4.32Å; R291-W322 HydrophobicContact CG-CH2 3.7Å; R291-W322 HydrophobicContact CG-CZ2 3.6Å; R291-W322 HydrophobicContact CG-CZ3 4.05Å; R291-W322 PolarHBondContact NH1-O 2.87Å; I300-W322 HydrophobicContact CG2-CZ3 4.38Å; I300-W322 VanDerWaalsContact O-CH2 3.24Å; I300-W322 WeakPolarHBondContact O-CH2 3.35Å; I300-W322 VanDerWaalsContact O-CZ3 3.29Å; I300-W322 WeakPolarHBondContact O-CZ3 3.22Å; K302-W322 HydrophobicContact CB-CD2 4.31Å; K302-W322 HydrophobicContact CB-CE3 4.46Å; K302-W322 HydrophobicContact CB-CH2 3.73Å; K302-W322 HydrophobicContact CB-CZ2 3.63Å; K302-W322 HydrophobicContact CB-CZ3 4.16Å; K302-W322 HydrophobicContact CD-CD2 4.16Å; K302-W322 HydrophobicContact CD-CG 4.17Å; K302-W322 HydrophobicContact CD-CZ2 4.41Å; K302-W322 HydrophobicContact CG-CD2 4.1Å; K302-W322 HydrophobicContact CG-CE3 4.45Å; K302-W322 HydrophobicContact CG-CG 4.49Å; K302-W322 HydrophobicContact CG-CZ2 4.27Å; N307-W322 PolarHBondContact O-N 2.87Å; M309-W322 HydrophobicContact CG-CB 3.9Å; M309-W322 HydrophobicContact CG-CD2 4.37Å; M309-W322 HydrophobicContact CG-CE3 3.71Å; M309-W322 HydrophobicContact SD-CD2 4.09Å; M309-W322 HydrophobicContact SD-CE3 3.18Å; M309-W322 HydrophobicContact SD-CZ3 3.53Å; M309-W322 VanDerWaalsContact SD-CZ3 3.53Å; W322-Q325 PolarHBondContact O-NE2 2.8Å
323	T	81.4	Confident	78.5	Confident	56 Å²	56	56.1 Å²	56.1	34%	0.344	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-55.8	-172.8	-52.6	0	0	0	0	112.2	R291 N307 C321 C338	R291-T323 PolarHBondContact NH1-O 3.16Å; R291-T323 VanDerWaalsContact NH1-O 3.09Å; N307-T323 PolarHBondContact OD1-OG1 3.22Å; C321-T323 PolarHBondContact O-N 3.31Å; T323-C338 HydrophobicContact CG2-CB 4.35Å
324	C	83.1	Confident	78.2	Confident	21 Å²	21	55.4 Å²	55.4	14%	0.142	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.3	-174.1	71.3	0	0	0	0	114.6	C321 G326 H331 C338 K340	C321-C324 VanDerWaalsContact CB-SG 3.55Å; C321-C324 VanDerWaalsContact SG-SG 3.67Å; C324-G326 PolarHBondContact O-N 3.48Å; C324-G326 VanDerWaalsContact O-N 3.08Å; C324-G326 PolarHBondContact SG-N 2.98Å; C324-G326 VanDerWaalsContact SG-N 3.38Å; C324-H331 PolarHBondContact SG-CE1 2.64Å; C324-H331 PolarHBondContact SG-NE2 3.03Å; C324-C338 VanDerWaalsContact CB-SG 3.54Å; C324-K340 HydrophobicContact CB-CB 4.01Å
325	Q	84.3	Confident	78	Confident	50 Å²	50	56.4 Å²	56.4	23%	0.234	29%	0.29	C	S	.	.			trans	62	8.9	-176.1	-57.2	-69.7	-50	0	0	114.8	R291 P292 P294 C321 W322	R291-Q325 VanDerWaalsContact CD-NE2 3.3Å; P292-Q325 PolarHBondContact O-OE1 3.4Å; P294-Q325 WeakPolarHBondContact CB-O 3.44Å; P294-Q325 WeakPolarHBondContact CG-O 3.43Å; C321-Q325 VanDerWaalsContact O-CA 3.23Å; C321-Q325 WeakPolarHBondContact O-CA 3.38Å; C321-Q325 PolarHBondContact O-N 2.97Å; W322-Q325 PolarHBondContact O-NE2 2.8Å
326	G	84.2	Confident	78	Confident	19 Å²	19	58.9 Å²	58.9	20%	0.196	30%	0.296	C	S	.	.			trans	-78.9	163.1	174.6	0	0	0	0	0	112.9	F320 C321 C324	F320-G326 CarbonylContact C-O 3.56Å; F320-G326 VanDerWaalsContact CA-O 3.23Å; F320-G326 WeakPolarHBondContact CA-O 3.29Å; F320-G326 WeakPolarHBondContact CB-O 3.11Å; C321-G326 PolarHBondContact N-O 2.84Å; C324-G326 PolarHBondContact O-N 3.48Å; C324-G326 VanDerWaalsContact O-N 3.08Å; C324-G326 PolarHBondContact SG-N 2.98Å; C324-G326 VanDerWaalsContact SG-N 3.38Å
327	A	86.7	Confident	77.8	Confident	21 Å²	21	62.1 Å²	62.1	17%	0.174	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-56.4	139.1	175.6	0	0	0	0	0	111.1	F318 D329 E330 H331	F318-A327 HydrophobicContact CE2-CB 4.22Å; F318-A327 HydrophobicContact CZ-CB 3.73Å; A327-D329 VanDerWaalsContact C-N 3.26Å; A327-D329 PolarHBondContact O-N 3.2Å; A327-E330 HydrophobicContact CB-CG 4.25Å; A327-E330 PolarHBondContact O-N 3.48Å; A327-H331 PolarHBondContact O-ND1 3.46Å
328	W	85.7	Confident	77.6	Confident	29 Å²	29	59.1 Å²	59.1	11%	0.11	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-64.1	-35	-179.5	-171.6	-108.7	0	0	0	112.1	N307 H308 E319 C321 E330 H331 Y335	N307-W328 HydrophobicContact CB-CZ3 4.32Å; H308-W328 VanDerWaalsContact CA-CZ3 3.41Å; H308-W328 HydrophobicContact CB-CD2 3.91Å; H308-W328 HydrophobicContact CB-CE3 3.93Å; H308-W328 HydrophobicContact CB-CH2 3.54Å; H308-W328 HydrophobicContact CB-CZ2 3.49Å; H308-W328 VanDerWaalsContact CB-CZ2 3.49Å; H308-W328 HydrophobicContact CB-CZ3 3.76Å; H308-W328 AromaticContact CD2-CD1 3.39Å; H308-W328 AromaticContact CD2-CD2 3.17Å; H308-W328 AromaticContact CD2-CE2 3.44Å; H308-W328 VanDerWaalsContact CD2-CE2 3.44Å; H308-W328 AromaticContact CD2-CE3 3.77Å; H308-W328 AromaticContact CD2-CG 3.17Å; H308-W328 AromaticContact CD2-NE1 3.51Å; H308-W328 AromaticContact CE1-NE1 3.98Å; H308-W328 AromaticContact CG-CD2 3.69Å; H308-W328 AromaticContact CG-CE2 3.51Å; H308-W328 AromaticContact CG-CZ2 3.86Å; H308-W328 AromaticContact CG-NE1 3.75Å; H308-W328 AromaticContact NE2-CD1 3.33Å; H308-W328 VanDerWaalsContact NE2-CD1 3.33Å; H308-W328 AromaticContact NE2-CD2 3.96Å; H308-W328 AromaticContact NE2-CG 3.52Å; H308-W328 AromaticContact NE2-NE1 3.65Å; E319-W328 HydrophobicContact CB-CB 3.88Å; E319-W328 PolarHBondContact O-N 3.4Å; C321-W328 HydrophobicContact CB-CE3 4.07Å; C321-W328 HydrophobicContact CB-CZ3 4.16Å; W328-E330 PolarHBondContact O-N 2.89Å; W328-H331 WeakPolarHBondContact O-CB 3.49Å; W328-H331 PolarHBondContact O-N 3.28Å; W328-Y335 HydrophobicContact CZ2-CD1 4.14Å
329	D	84.3	Confident	77	Confident	137 Å²	137	64.2 Å²	64.2	73%	0.733	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-59	-22.2	178.7	-55.6	-28.2	0	0	0	113.5	A327 H331	A327-D329 VanDerWaalsContact C-N 3.26Å; A327-D329 PolarHBondContact O-N 3.2Å; D329-H331 VanDerWaalsContact C-N 3.28Å; D329-H331 PolarHBondContact O-N 2.97Å
330	E	82	Confident	76	Confident	115 Å²	115	67 Å²	67	54%	0.537	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-79.6	-7.3	175.5	-63.9	178.7	-174	0	0	113.6	A327 W328 A332 K340	A327-E330 HydrophobicContact CB-CG 4.25Å; A327-E330 PolarHBondContact O-N 3.48Å; W328-E330 PolarHBondContact O-N 2.89Å; E330-A332 VanDerWaalsContact C-N 3.26Å; E330-A332 PolarHBondContact O-N 2.96Å; E330-K340 IonicContact OE2-NZ 2.68Å; E330-K340 PolarHBondContact OE2-NZ 3.39Å
331	H	77.2	Confident	74.8	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.028	35%	0.349	C	S	.	.			trans	-95.1	40.2	179.8	-66.9	69.4	0	0	0	111.6	C321 C324 A327 W328 D329 D333 E334 C338	C321-H331 WeakPolarHBondContact CB-CE1 3.49Å; C321-H331 WeakPolarHBondContact CB-NE2 3.48Å; C321-H331 PolarHBondContact SG-NE2 3.46Å; C324-H331 PolarHBondContact SG-CE1 2.64Å; C324-H331 PolarHBondContact SG-NE2 3.03Å; A327-H331 PolarHBondContact O-ND1 3.46Å; W328-H331 WeakPolarHBondContact O-CB 3.49Å; W328-H331 PolarHBondContact O-N 3.28Å; D329-H331 VanDerWaalsContact C-N 3.28Å; D329-H331 PolarHBondContact O-N 2.97Å; H331-D333 PolarHBondContact O-N 3.44Å; H331-E334 PolarHBondContact O-N 3.47Å; H331-C338 PolarHBondContact NE2-SG 3.02Å
332	A	63	Low	73.6	Confident	63 Å²	63	74.8 Å²	74.8	52%	0.521	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-28.2	-164.9	0	0	0	0	0	116.1	E330 Y335	E330-A332 VanDerWaalsContact C-N 3.26Å; E330-A332 PolarHBondContact O-N 2.96Å; A332-Y335 PolarHBondContact O-OH 2.7Å
333	D	64.8	Low	72.4	Confident	144 Å²	144	79.6 Å²	79.6	77%	0.77	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	13	178.1	-62.9	-51.8	0	0	0	113.8	H331	H331-D333 PolarHBondContact O-N 3.44Å
334	E	60.8	Low	70.8	Confident	45 Å²	45	79.6 Å²	79.6	21%	0.21	42%	0.416	C	S	.	.			trans	-120.7	44.9	-167	-82.3	177.3	-135.4	0	0	113.4	H331 Y336 V337 R339	H331-E334 PolarHBondContact O-N 3.47Å; E334-Y336 PolarHBondContact O-N 3.03Å; E334-Y336 VanDerWaalsContact O-N 3.07Å; E334-V337 WeakPolarHBondContact CB-O 3.37Å; E334-V337 PolarHBondContact O-N 3.45Å; E334-R339 IonicContact OE1-CZ 3.1Å; E334-R339 IonicContact OE1-NE 3.66Å; E334-R339 PolarHBondContact OE1-NE 3.44Å; E334-R339 IonicContact OE1-NH2 3.14Å; E334-R339 PolarHBondContact OE1-NH2 3.01Å; E334-R339 WeakPolarHBondContact OE2-CB 3.49Å; E334-R339 WeakPolarHBondContact OE2-CG 3.25Å; E334-R339 PolarHBondContact OE2-N 3.46Å; E334-R339 IonicContact OE2-NE 3.96Å
335	Y	61.9	Low	69	Low	132 Å²	132	89.2 Å²	89.2	52%	0.518	45%	0.449	S	S	.	.	S	Bend	trans	-56.7	-30.4	-170.2	-62.1	-74.3	0	0	0	115.3	W328 A332	W328-Y335 HydrophobicContact CZ2-CD1 4.14Å; A332-Y335 PolarHBondContact O-OH 2.7Å
336	Y	63.4	Low	66.9	Low	204 Å²	204	94.6 Å²	94.6	80%	0.8	48%	0.476	S	S	*	.	S	Bend	trans	-107.1	-28.2	-176.4	-67.3	-80.4	0	0	0	113.8	N307 E334	N307-Y336 PolarHBondContact ND2-O 2.99Å; E334-Y336 PolarHBondContact O-N 3.03Å; E334-Y336 VanDerWaalsContact O-N 3.07Å
337	V	66.2	Low	64.8	Low	82 Å²	82	99.3 Å²	99.3	50%	0.497	50%	0.501	S	S	.	.			trans	-132.4	108.8	-170	-176.8	0	0	0	0	109.5	E334 R339 L342	E334-V337 WeakPolarHBondContact CB-O 3.37Å; E334-V337 PolarHBondContact O-N 3.45Å; V337-R339 PolarHBondContact O-N 3.23Å; V337-L342 HydrophobicContact CG1-CD1 3.35Å; V337-L342 HydrophobicContact CG1-CG 4.39Å
338	C	71.9	Confident	62.3	Low	7 Å²	7	105.6 Å²	105.6	5%	0.047	52%	0.524	C	S	.	.			trans	-77.4	104.5	176.3	179.3	0	0	0	0	110.6	T323 C324 H331 K340 G341 L342	T323-C338 HydrophobicContact CG2-CB 4.35Å; C324-C338 VanDerWaalsContact CB-SG 3.54Å; H331-C338 PolarHBondContact NE2-SG 3.02Å; C338-K340 VanDerWaalsContact C-N 3.28Å; C338-K340 PolarHBondContact O-N 3.47Å; C338-G341 PolarHBondContact O-N 3.46Å; C338-G341 PolarHBondContact SG-N 2.91Å; C338-G341 VanDerWaalsContact SG-N 3.37Å; C338-L342 PolarHBondContact O-N 3.34Å
339	R	71.7	Confident	60	Low	138 Å²	138	109.8 Å²	109.8	52%	0.521	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-34.6	174.7	-77.4	-171.7	-81.8	-135.4	-10.3	112.2	E334 V337 G341 L342 E343	E334-R339 IonicContact OE1-CZ 3.1Å; E334-R339 IonicContact OE1-NE 3.66Å; E334-R339 PolarHBondContact OE1-NE 3.44Å; E334-R339 IonicContact OE1-NH2 3.14Å; E334-R339 PolarHBondContact OE1-NH2 3.01Å; E334-R339 WeakPolarHBondContact OE2-CB 3.49Å; E334-R339 WeakPolarHBondContact OE2-CG 3.25Å; E334-R339 PolarHBondContact OE2-N 3.46Å; E334-R339 IonicContact OE2-NE 3.96Å; V337-R339 PolarHBondContact O-N 3.23Å; R339-G341 PolarHBondContact O-N 2.78Å; R339-G341 VanDerWaalsContact O-N 3.15Å; R339-L342 PolarHBondContact O-N 2.96Å; R339-E343 PolarHBondContact O-N 3.27Å
340	K	68.4	Low	58	Low	111 Å²	111	108.3 Å²	108.3	48%	0.483	55%	0.551	S	S	.	*	H	α-helix	trans	-57.6	-29.5	172.6	-62.5	-173.1	-177.1	-172.9	0	112.7	C324 E330 C338	C324-K340 HydrophobicContact CB-CB 4.01Å; E330-K340 IonicContact OE2-NZ 2.68Å; E330-K340 PolarHBondContact OE2-NZ 3.39Å; C338-K340 VanDerWaalsContact C-N 3.28Å; C338-K340 PolarHBondContact O-N 3.47Å
341	G	60.5	Low	56.1	Low	35 Å²	35	111.8 Å²	111.8	36%	0.361	56%	0.564	S	S	.	*	H	α-helix	trans	-80.9	-31.4	174.1	0	0	0	0	0	114	C338 R339	C338-G341 PolarHBondContact O-N 3.46Å; C338-G341 PolarHBondContact SG-N 2.91Å; C338-G341 VanDerWaalsContact SG-N 3.37Å; R339-G341 PolarHBondContact O-N 2.78Å; R339-G341 VanDerWaalsContact O-N 3.15Å
342	L	61.6	Low	54.4	Low	128 Å²	128	119.1 Å²	119.1	67%	0.67	60%	0.598	S	S	*	*	H	α-helix	trans	-77.3	-28.6	179.5	-72.8	169.3	0	0	0	113.4	V337 C338 R339 G344	V337-L342 HydrophobicContact CG1-CD1 3.35Å; V337-L342 HydrophobicContact CG1-CG 4.39Å; C338-L342 PolarHBondContact O-N 3.34Å; R339-L342 PolarHBondContact O-N 2.96Å; L342-G344 PolarHBondContact O-N 3.05Å
343	E	56.5	Low	53.2	Low	129 Å²	129	121.1 Å²	121.1	60%	0.603	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	8.5	-177.2	-72.9	-178.2	177.7	0	0	115.1	R339 R345	R339-E343 PolarHBondContact O-N 3.27Å; E343-R345 PolarHBondContact O-N 3Å
344	G	48.5	Very low	52	Low	56 Å²	56	115.8 Å²	115.8	58%	0.577	58%	0.576	S	S	*	*			trans	64.3	6.3	166.2	0	0	0	0	0	116.9	L342 M346	L342-G344 PolarHBondContact O-N 3.05Å; G344-M346 PolarHBondContact O-N 3.34Å; G344-M346 VanDerWaalsContact O-N 3.09Å
345	R	45.2	Very low	51.3	Low	222 Å²	222	120.7 Å²	120.7	84%	0.838	60%	0.599	S	S	*	*			trans	-75.3	10.2	-178.4	-75	-170.9	-173	-177.4	4.8	115.2	E343	E343-R345 PolarHBondContact O-N 3Å
346	M	39.9	Very low	50.7	Low	164 Å²	164	123.4 Å²	123.4	81%	0.808	61%	0.608	S	S	*	*	S	Bend	trans	-142.4	67.9	173.7	-66.4	-171.3	74.7	0	0	112.5	G344	G344-M346 PolarHBondContact O-N 3.34Å; G344-M346 VanDerWaalsContact O-N 3.09Å
347	V	39.8	Very low	49.8	Very low	117 Å²	117	117.8 Å²	117.8	71%	0.709	59%	0.588	S	S	*	*			trans	-146	90.4	154.5	-169.8	0	0	0	0	109.3	V350	V347-V350 HydrophobicContact CG1-CG2 4.19Å
348	K	35.6	Very low	49.2	Very low	154 Å²	154	116.2 Å²	116.2	67%	0.67	57%	0.574	S	S	*	*			trans	-74.6	148.5	156.1	-79.5	-177.2	179.2	177	0	107.8	V350	K348-V350 PolarHBondContact O-N 3Å
349	P	37.5	Very low	48.4	Very low	116 Å²	116	118.4 Å²	118.4	75%	0.753	59%	0.59	S	S	*	*			trans	-56.7	124.4	-170.8	19.5	-30.4	0	0	0	112.4	K351	P349-K351 PolarHBondContact O-N 3.08Å
350	V	41.6	Very low	47.6	Very low	106 Å²	106	116.1 Å²	116.1	64%	0.642	59%	0.588	S	S	*	*	H	α-helix	trans	-59.2	-4.3	-163	176	0	0	0	0	116.4	V347 K348 G354	V347-V350 HydrophobicContact CG1-CG2 4.19Å; K348-V350 PolarHBondContact O-N 3Å; V350-G354 WeakPolarHBondContact O-CA 3.16Å; V350-G354 PolarHBondContact O-N 3.23Å
351	K	41.4	Very low	47	Very low	188 Å²	188	111.2 Å²	111.2	82%	0.817	57%	0.567	S	S	*	*	H	α-helix	trans	-80	-43.2	-172.4	-76.3	-173.4	175.7	-179.9	0	114.8	P349	P349-K351 PolarHBondContact O-N 3.08Å
352	E	42.2	Very low	46.9	Very low	160 Å²	160	110.2 Å²	110.2	75%	0.748	55%	0.553	S	S	*	*	H	α-helix	trans	-86.1	-33.2	-178.6	-70.2	-179.5	166.5	0	0	112.1	G354 Q355 R356	E352-G354 VanDerWaalsContact C-N 3.33Å; E352-Q355 PolarHBondContact O-N 3.34Å; E352-R356 PolarHBondContact O-N 3.43Å
353	E	37.6	Very low	46.7	Very low	106 Å²	106	106 Å²	106	50%	0.495	54%	0.536	S	S	.	.	H	α-helix	trans	-68.4	-32.5	168.8	-85.6	177.8	-179.1	0	0	111.5	Q355 R356 F357	E353-Q355 VanDerWaalsContact C-N 3.32Å; E353-Q355 PolarHBondContact O-N 3.14Å; E353-R356 PolarHBondContact O-N 3.38Å; E353-F357 WeakPolarHBondContact O-CA 3.48Å; E353-F357 WeakPolarHBondContact O-CB 3.2Å; E353-F357 PolarHBondContact O-N 3.34Å
354	G	39.1	Very low	46.6	Very low	31 Å²	31	105.8 Å²	105.8	32%	0.32	54%	0.535	S	S	.	.	H	α-helix	trans	-57.4	-41.7	174.4	0	0	0	0	0	112.9	V350 E352 F358	V350-G354 WeakPolarHBondContact O-CA 3.16Å; V350-G354 PolarHBondContact O-N 3.23Å; E352-G354 VanDerWaalsContact C-N 3.33Å; G354-F358 WeakPolarHBondContact O-CB 3.43Å; G354-F358 PolarHBondContact O-N 3.14Å
355	Q	47.5	Very low	46.9	Very low	149 Å²	149	105.3 Å²	105.3	70%	0.696	52%	0.523	S	S	*	.	H	α-helix	trans	-72.7	-37.5	176.3	-83.5	175.8	-18.3	0	0	113.4	E352 E353 S359	E352-Q355 PolarHBondContact O-N 3.34Å; E353-Q355 VanDerWaalsContact C-N 3.32Å; E353-Q355 PolarHBondContact O-N 3.14Å; Q355-S359 WeakPolarHBondContact O-CB 3.37Å; Q355-S359 PolarHBondContact O-N 3.25Å
356	R	48.8	Very low	47.6	Very low	189 Å²	189	96.8 Å²	96.8	71%	0.713	49%	0.492	S	S	*	.	H	α-helix	trans	-70.8	-41.1	175.1	-79.2	-179.9	129.1	173.2	-1.4	111.9	E352 E353 S359 N360	E352-R356 PolarHBondContact O-N 3.43Å; E353-R356 PolarHBondContact O-N 3.38Å; R356-S359 PolarHBondContact O-N 2.89Å; R356-N360 VanDerWaalsContact O-CB 3.25Å; R356-N360 WeakPolarHBondContact O-CB 3.4Å; R356-N360 PolarHBondContact O-N 3.49Å; R356-N360 PolarHBondContact O-ND2 2.94Å
357	F	44.8	Very low	48.6	Very low	85 Å²	85	97.4 Å²	97.4	37%	0.373	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-47.8	172.3	-177.1	-101.4	0	0	0	109.7	P292 E353 S359 N360 V361	P292-F357 HydrophobicContact CG-CE2 4.38Å; E353-F357 WeakPolarHBondContact O-CA 3.48Å; E353-F357 WeakPolarHBondContact O-CB 3.2Å; E353-F357 PolarHBondContact O-N 3.34Å; F357-S359 PolarHBondContact O-N 2.97Å; F357-N360 PolarHBondContact O-N 3.35Å; F357-V361 HydrophobicContact CD1-CG2 3.95Å; F357-V361 HydrophobicContact CD2-CG2 3.95Å; F357-V361 HydrophobicContact CE1-CG2 3.73Å; F357-V361 HydrophobicContact CE2-CG2 3.73Å; F357-V361 HydrophobicContact CG-CG2 4.06Å; F357-V361 HydrophobicContact CZ-CG2 3.61Å; F357-V361 VanDerWaalsContact O-CB 3.25Å; F357-V361 WeakPolarHBondContact O-CB 3.36Å; F357-V361 WeakPolarHBondContact O-CG2 3.36Å; F357-V361 PolarHBondContact O-N 3.24Å
358	F	52.8	Low	49.5	Very low	50 Å²	50	97.2 Å²	97.2	22%	0.219	49%	0.492	C	S	.	.	H	α-helix	trans	-58.2	-46.3	173.7	-166.1	-86.1	0	0	0	111.7	A283 G354 N360 F362 Y376 L380	A283-F358 HydrophobicContact CB-CE2 3.47Å; A283-F358 VanDerWaalsContact CB-CE2 3.47Å; A283-F358 HydrophobicContact CB-CZ 3.79Å; G354-F358 WeakPolarHBondContact O-CB 3.43Å; G354-F358 PolarHBondContact O-N 3.14Å; F358-N360 PolarHBondContact O-N 3.31Å; F358-F362 HydrophobicContact CD1-CD2 4.31Å; F358-F362 HydrophobicContact CD2-CD2 4.48Å; F358-F362 HydrophobicContact CD2-CE2 4.23Å; F358-F362 HydrophobicContact CE1-CD2 4.31Å; F358-F362 HydrophobicContact CE1-CE2 4.47Å; F358-F362 HydrophobicContact CE2-CE2 4.01Å; F358-F362 HydrophobicContact CG-CD2 4.39Å; F358-F362 HydrophobicContact CZ-CD2 4.41Å; F358-F362 HydrophobicContact CZ-CE2 4.12Å; F358-F362 WeakPolarHBondContact O-CB 3.45Å; F358-F362 VanDerWaalsContact O-CD2 3.26Å; F358-F362 WeakPolarHBondContact O-CD2 3.49Å; F358-F362 PolarHBondContact O-N 2.95Å; F358-Y376 AromaticContact CE1-CD1 4Å; F358-Y376 HydrophobicContact CE1-CD1 4Å; F358-Y376 HydrophobicContact CE1-CE1 4.3Å; F358-Y376 HydrophobicContact CZ-CD1 4.12Å; F358-Y376 AromaticContact CZ-CE1 3.94Å; F358-Y376 HydrophobicContact CZ-CE1 3.94Å; F358-L380 HydrophobicContact CD1-CD2 4.33Å; F358-L380 HydrophobicContact CE1-CD2 4.47Å
359	S	55.1	Low	50.9	Low	53 Å²	53	93.8 Å²	93.8	37%	0.371	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-40.8	177.1	-169.5	0	0	0	0	112.6	Q355 R356 F357 A363	Q355-S359 WeakPolarHBondContact O-CB 3.37Å; Q355-S359 PolarHBondContact O-N 3.25Å; R356-S359 PolarHBondContact O-N 2.89Å; F357-S359 PolarHBondContact O-N 2.97Å; S359-A363 WeakPolarHBondContact O-CB 3.32Å; S359-A363 PolarHBondContact O-N 3.29Å
360	N	55.3	Low	52.6	Low	90 Å²	90	89.8 Å²	89.8	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-77.7	-43.1	-175.5	-69.9	-14.5	0	0	0	112	R356 F357 F358 F362 A363 H364	R356-N360 VanDerWaalsContact O-CB 3.25Å; R356-N360 WeakPolarHBondContact O-CB 3.4Å; R356-N360 PolarHBondContact O-N 3.49Å; R356-N360 PolarHBondContact O-ND2 2.94Å; F357-N360 PolarHBondContact O-N 3.35Å; F358-N360 PolarHBondContact O-N 3.31Å; N360-F362 VanDerWaalsContact C-N 3.29Å; N360-F362 PolarHBondContact O-N 2.89Å; N360-A363 PolarHBondContact O-N 3.3Å; N360-H364 PolarHBondContact O-CD2 3.46Å; N360-H364 PolarHBondContact O-N 2.99Å
361	V	55.3	Low	54.3	Low	8 Å²	8	88.5 Å²	88.5	5%	0.048	47%	0.467	C	S	.	.	H	α-helix	trans	-58.6	-44.1	176.5	171.1	0	0	0	0	110.1	I286 N299 F357 S365	I286-V361 HydrophobicContact CG2-CG1 4.46Å; N299-V361 WeakPolarHBondContact ND2-CG1 3.43Å; F357-V361 HydrophobicContact CD1-CG2 3.95Å; F357-V361 HydrophobicContact CD2-CG2 3.95Å; F357-V361 HydrophobicContact CE1-CG2 3.73Å; F357-V361 HydrophobicContact CE2-CG2 3.73Å; F357-V361 HydrophobicContact CG-CG2 4.06Å; F357-V361 HydrophobicContact CZ-CG2 3.61Å; F357-V361 VanDerWaalsContact O-CB 3.25Å; F357-V361 WeakPolarHBondContact O-CB 3.36Å; F357-V361 WeakPolarHBondContact O-CG2 3.36Å; F357-V361 PolarHBondContact O-N 3.24Å; V361-S365 WeakPolarHBondContact O-CB 2.99Å; V361-S365 PolarHBondContact O-N 3.48Å; V361-S365 PolarHBondContact O-OG 3.46Å
362	F	59.2	Low	56	Low	13 Å²	13	82.7 Å²	82.7	6%	0.057	44%	0.444	C	S	.	.	H	α-helix	trans	-78.2	-32.5	-180	-79.3	-90.7	0	0	0	113.6	A283 I286 F358 N360 H364 F366 Y376	A283-F362 HydrophobicContact CB-CE2 4.03Å; A283-F362 HydrophobicContact CB-CZ 3.73Å; I286-F362 HydrophobicContact CD1-CZ 4.16Å; F358-F362 HydrophobicContact CD1-CD2 4.31Å; F358-F362 HydrophobicContact CD2-CD2 4.48Å; F358-F362 HydrophobicContact CD2-CE2 4.23Å; F358-F362 HydrophobicContact CE1-CD2 4.31Å; F358-F362 HydrophobicContact CE1-CE2 4.47Å; F358-F362 HydrophobicContact CE2-CE2 4.01Å; F358-F362 HydrophobicContact CG-CD2 4.39Å; F358-F362 HydrophobicContact CZ-CD2 4.41Å; F358-F362 HydrophobicContact CZ-CE2 4.12Å; F358-F362 WeakPolarHBondContact O-CB 3.45Å; F358-F362 VanDerWaalsContact O-CD2 3.26Å; F358-F362 WeakPolarHBondContact O-CD2 3.49Å; F358-F362 PolarHBondContact O-N 2.95Å; N360-F362 VanDerWaalsContact C-N 3.29Å; N360-F362 PolarHBondContact O-N 2.89Å; F362-H364 PolarHBondContact O-N 3.25Å; F362-F366 HydrophobicContact CB-CD2 4.43Å; F362-F366 AromaticContact CD1-CD2 3.68Å; F362-F366 HydrophobicContact CD1-CD2 3.68Å; F362-F366 AromaticContact CD1-CE2 3.14Å; F362-F366 HydrophobicContact CD1-CE2 3.14Å; F362-F366 HydrophobicContact CD1-CZ 4.16Å; F362-F366 HydrophobicContact CE1-CD2 4.36Å; F362-F366 AromaticContact CE1-CE2 3.41Å; F362-F366 HydrophobicContact CE1-CE2 3.41Å; F362-F366 VanDerWaalsContact CE1-CE2 3.41Å; F362-F366 HydrophobicContact CE1-CZ 4.01Å; F362-F366 HydrophobicContact CG-CD2 4.46Å; F362-F366 HydrophobicContact CG-CE2 4.13Å; F362-F366 WeakPolarHBondContact O-CD2 3.25Å; F362-Y376 AromaticContact CD1-CD1 3.86Å; F362-Y376 HydrophobicContact CD1-CD1 3.86Å; F362-Y376 AromaticContact CD1-CD2 3.32Å; F362-Y376 HydrophobicContact CD1-CD2 3.32Å; F362-Y376 AromaticContact CD1-CE1 3.85Å; F362-Y376 HydrophobicContact CD1-CE1 3.85Å; F362-Y376 AromaticContact CD1-CE2 3.37Å; F362-Y376 HydrophobicContact CD1-CE2 3.37Å; F362-Y376 AromaticContact CD1-CG 3.62Å; F362-Y376 HydrophobicContact CD1-CG 3.62Å; F362-Y376 AromaticContact CD1-CZ 3.65Å; F362-Y376 HydrophobicContact CE1-CD1 4.06Å; F362-Y376 AromaticContact CE1-CD2 3.67Å; F362-Y376 HydrophobicContact CE1-CD2 3.67Å; F362-Y376 AromaticContact CE1-CE1 3.55Å; F362-Y376 HydrophobicContact CE1-CE1 3.55Å; F362-Y376 AromaticContact CE1-CE2 3.14Å; F362-Y376 HydrophobicContact CE1-CE2 3.14Å; F362-Y376 HydrophobicContact CE1-CG 4.13Å; F362-Y376 AromaticContact CE1-CZ 3.08Å; F362-Y376 WeakPolarHBondContact CE1-OH 3.47Å; F362-Y376 HydrophobicContact CE2-CE1 4.4Å; F362-Y376 HydrophobicContact CG-CD1 4.27Å; F362-Y376 HydrophobicContact CG-CD2 4.3Å; F362-Y376 HydrophobicContact CG-CE1 4.47Å; F362-Y376 HydrophobicContact CG-CG 4.2Å; F362-Y376 AromaticContact CZ-CE1 3.83Å; F362-Y376 HydrophobicContact CZ-CE1 3.83Å; F362-Y376 HydrophobicContact CZ-CE2 4.16Å; F362-Y376 AromaticContact CZ-CZ 3.65Å
363	A	56.6	Low	57.6	Low	39 Å²	39	78.5 Å²	78.5	32%	0.322	42%	0.421	S	S	.	.	H	α-helix	trans	-62.7	-31	174.9	0	0	0	0	0	113	S359 N360 R373	S359-A363 WeakPolarHBondContact O-CB 3.32Å; S359-A363 PolarHBondContact O-N 3.29Å; N360-A363 PolarHBondContact O-N 3.3Å; A363-R373 PolarHBondContact O-NH1 3.44Å
364	H	54.3	Low	59.8	Low	126 Å²	126	76.8 Å²	76.8	58%	0.583	41%	0.41	S	S	*	.	H	α-helix	trans	-99.1	-29.3	-177.8	-69.2	-68.4	0	0	0	114.5	N297 N360 F362 F366	N297-H364 WeakPolarHBondContact ND2-CB 3.36Å; N297-H364 PolarHBondContact ND2-CD2 2.71Å; N360-H364 PolarHBondContact O-CD2 3.46Å; N360-H364 PolarHBondContact O-N 2.99Å; F362-H364 PolarHBondContact O-N 3.25Å; H364-F366 VanDerWaalsContact C-N 3.32Å; H364-F366 PolarHBondContact O-N 3.5Å
365	S	56	Low	62	Low	46 Å²	46	75.4 Å²	75.4	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-75.4	-20.3	-176.7	-62.3	0	0	0	0	113.9	V361	V361-S365 WeakPolarHBondContact O-CB 2.99Å; V361-S365 PolarHBondContact O-N 3.48Å; V361-S365 PolarHBondContact O-OG 3.46Å
366	F	59.7	Low	63.6	Low	42 Å²	42	68.8 Å²	68.8	18%	0.184	36%	0.364	C	S	.	.	S	Bend	trans	-111.6	127.3	-174.9	-68.6	-70.1	0	0	0	112.1	F362 H364 S370 M372 R373	F362-F366 HydrophobicContact CB-CD2 4.43Å; F362-F366 AromaticContact CD1-CD2 3.68Å; F362-F366 HydrophobicContact CD1-CD2 3.68Å; F362-F366 AromaticContact CD1-CE2 3.14Å; F362-F366 HydrophobicContact CD1-CE2 3.14Å; F362-F366 HydrophobicContact CD1-CZ 4.16Å; F362-F366 HydrophobicContact CE1-CD2 4.36Å; F362-F366 AromaticContact CE1-CE2 3.41Å; F362-F366 HydrophobicContact CE1-CE2 3.41Å; F362-F366 VanDerWaalsContact CE1-CE2 3.41Å; F362-F366 HydrophobicContact CE1-CZ 4.01Å; F362-F366 HydrophobicContact CG-CD2 4.46Å; F362-F366 HydrophobicContact CG-CE2 4.13Å; F362-F366 WeakPolarHBondContact O-CD2 3.25Å; H364-F366 VanDerWaalsContact C-N 3.32Å; H364-F366 PolarHBondContact O-N 3.5Å; F366-S370 WeakPolarHBondContact CB-OG 3.23Å; F366-M372 HydrophobicContact CD1-CB 3.8Å; F366-M372 HydrophobicContact CD1-CG 3.95Å; F366-M372 HydrophobicContact CD1-SD 3.89Å; F366-M372 HydrophobicContact CE1-CB 3.94Å; F366-M372 HydrophobicContact CE1-CE 4.49Å; F366-M372 HydrophobicContact CE1-CG 3.65Å; F366-M372 HydrophobicContact CE1-SD 3.01Å; F366-M372 WeakPolarHBondContact CE1-SD 3.34Å; F366-M372 HydrophobicContact CE2-CG 4.33Å; F366-M372 HydrophobicContact CE2-SD 4.08Å; F366-M372 HydrophobicContact CG-CB 4.37Å; F366-M372 HydrophobicContact CG-CG 4.42Å; F366-M372 HydrophobicContact CZ-CG 3.85Å; F366-M372 HydrophobicContact CZ-SD 3.12Å; F366-M372 WeakPolarHBondContact CZ-SD 3.42Å; F366-R373 HydrophobicContact CB-CB 3.8Å
367	K	60.1	Low	65.2	Low	177 Å²	177	63.6 Å²	63.6	77%	0.77	35%	0.348	S	S	*	.			trans	-48.9	134.5	174.1	-71.1	-172.9	178.9	-177.9	0	109.7	G369 S370	K367-G369 PolarHBondContact O-N 3.47Å; K367-S370 VanDerWaalsContact O-CB 3.32Å; K367-S370 WeakPolarHBondContact O-CB 3.25Å; K367-S370 PolarHBondContact O-N 3.39Å; K367-S370 PolarHBondContact O-OG 3.28Å; K367-S370 VanDerWaalsContact O-OG 3.05Å
368	P	59.5	Low	67.4	Low	114 Å²	114	60.9 Å²	60.9	74%	0.74	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	130.3	169.8	-27.1	34.4	0	0	0	110.1
369	G	64	Low	69.1	Low	81 Å²	81	58.8 Å²	58.8	84%	0.835	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-1.3	-177.8	0	0	0	0	0	116.3	K367	K367-G369 PolarHBondContact O-N 3.47Å
370	S	73.4	Confident	70.3	Confident	32 Å²	32	58.7 Å²	58.7	22%	0.224	32%	0.322	C	S	.	.			trans	-66.5	144.4	173.8	68.3	0	0	0	0	112.2	F366 K367 M372 R373 R374	F366-S370 WeakPolarHBondContact CB-OG 3.23Å; K367-S370 VanDerWaalsContact O-CB 3.32Å; K367-S370 WeakPolarHBondContact O-CB 3.25Å; K367-S370 PolarHBondContact O-N 3.39Å; K367-S370 PolarHBondContact O-OG 3.28Å; K367-S370 VanDerWaalsContact O-OG 3.05Å; S370-M372 PolarHBondContact O-N 3.49Å; S370-R373 PolarHBondContact O-N 3.05Å; S370-R373 WeakPolarHBondContact OG-CB 3.4Å; S370-R373 PolarHBondContact OG-N 3.43Å; S370-R374 PolarHBondContact O-N 3.26Å; S370-R374 VanDerWaalsContact O-N 3.14Å
371	T	78.6	Confident	71.9	Confident	79 Å²	79	57.5 Å²	57.5	49%	0.485	31%	0.314	S	S	.	.	H	α-helix	trans	-56.5	-32.7	176.5	-49.4	0	0	0	0	112.4	F375	T371-F375 PolarHBondContact O-N 3.24Å
372	M	76.8	Confident	73.6	Confident	67 Å²	67	58.4 Å²	58.4	33%	0.33	32%	0.317	S	S	.	.	H	α-helix	trans	-70.5	-49.1	-179.5	-168.2	166.4	-72.9	0	0	110.8	F366 S370 R374 F375 Y376	F366-M372 HydrophobicContact CD1-CB 3.8Å; F366-M372 HydrophobicContact CD1-CG 3.95Å; F366-M372 HydrophobicContact CD1-SD 3.89Å; F366-M372 HydrophobicContact CE1-CB 3.94Å; F366-M372 HydrophobicContact CE1-CE 4.49Å; F366-M372 HydrophobicContact CE1-CG 3.65Å; F366-M372 HydrophobicContact CE1-SD 3.01Å; F366-M372 WeakPolarHBondContact CE1-SD 3.34Å; F366-M372 HydrophobicContact CE2-CG 4.33Å; F366-M372 HydrophobicContact CE2-SD 4.08Å; F366-M372 HydrophobicContact CG-CB 4.37Å; F366-M372 HydrophobicContact CG-CG 4.42Å; F366-M372 HydrophobicContact CZ-CG 3.85Å; F366-M372 HydrophobicContact CZ-SD 3.12Å; F366-M372 WeakPolarHBondContact CZ-SD 3.42Å; S370-M372 PolarHBondContact O-N 3.49Å; M372-R374 VanDerWaalsContact C-N 3.32Å; M372-R374 PolarHBondContact O-N 2.78Å; M372-F375 WeakPolarHBondContact O-CB 3.44Å; M372-F375 PolarHBondContact O-N 3.04Å; M372-F375 VanDerWaalsContact O-N 3.08Å; M372-Y376 HydrophobicContact CG-CD2 3.71Å; M372-Y376 HydrophobicContact CG-CE2 3.34Å; M372-Y376 WeakPolarHBondContact O-CD2 3.4Å; M372-Y376 PolarHBondContact O-N 3.28Å; M372-Y376 HydrophobicContact SD-CE2 3.98Å
373	R	74.6	Confident	74.8	Confident	71 Å²	71	63 Å²	63	27%	0.268	34%	0.336	S	S	.	.	H	α-helix	trans	-54.6	-47.1	173.4	-179	171.2	172.6	156.4	-0.2	112.2	A363 F366 S370 F375 Y376 E377	A363-R373 PolarHBondContact O-NH1 3.44Å; F366-R373 HydrophobicContact CB-CB 3.8Å; S370-R373 PolarHBondContact O-N 3.05Å; S370-R373 WeakPolarHBondContact OG-CB 3.4Å; S370-R373 PolarHBondContact OG-N 3.43Å; R373-F375 VanDerWaalsContact C-N 3.31Å; R373-F375 PolarHBondContact O-N 2.95Å; R373-Y376 PolarHBondContact O-N 3.03Å; R373-E377 HydrophobicContact CG-CG 4.41Å; R373-E377 WeakPolarHBondContact CG-OE1 3.4Å; R373-E377 IonicContact CZ-OE1 2.62Å; R373-E377 IonicContact NE-OE1 3.79Å; R373-E377 PolarHBondContact NE-OE1 3.38Å; R373-E377 IonicContact NH2-OE1 2.63Å; R373-E377 WeakPolarHBondContact O-CG 3.45Å; R373-E377 PolarHBondContact O-N 3.22Å
374	R	83.4	Confident	76.1	Confident	70 Å²	70	68.7 Å²	68.7	26%	0.264	35%	0.354	S	S	.	.	H	α-helix	trans	-57.2	-44.6	176.7	-179.7	178.4	171.6	132.4	-7	111.5	S370 M372 F378 Y442 L444	S370-R374 PolarHBondContact O-N 3.26Å; S370-R374 VanDerWaalsContact O-N 3.14Å; M372-R374 VanDerWaalsContact C-N 3.32Å; M372-R374 PolarHBondContact O-N 2.78Å; R374-F378 HydrophobicContact CG-CD2 4.07Å; R374-F378 HydrophobicContact CG-CE2 4.05Å; R374-F378 WeakPolarHBondContact O-CD2 3.21Å; R374-F378 PolarHBondContact O-N 3.38Å; R374-F378 VanDerWaalsContact O-N 3.16Å; R374-Y442 HydrophobicContact CG-CD2 4.24Å; R374-Y442 HydrophobicContact CG-CE2 4.25Å; R374-Y442 PolarHBondContact NH2-O 3.32Å; R374-L444 PolarHBondContact NH2-O 2.85Å
375	F	87	Confident	77.9	Confident	3 Å²	3	63.5 Å²	63.5	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-47.2	177.4	170.6	-103.9	0	0	0	112.3	W272 K275 E279 T371 M372 R373 E377 F378 S379 Y442	W272-F375 HydrophobicContact CE3-CD2 4.41Å; W272-F375 HydrophobicContact CE3-CE2 4.14Å; W272-F375 AromaticContact CH2-CD2 3.97Å; W272-F375 HydrophobicContact CH2-CD2 3.97Å; W272-F375 AromaticContact CH2-CE2 3.9Å; W272-F375 HydrophobicContact CH2-CE2 3.9Å; W272-F375 HydrophobicContact CZ2-CE2 4.39Å; W272-F375 AromaticContact CZ3-CD2 3.71Å; W272-F375 HydrophobicContact CZ3-CD2 3.71Å; W272-F375 AromaticContact CZ3-CE2 3.77Å; W272-F375 HydrophobicContact CZ3-CE2 3.77Å; K275-F375 HydrophobicContact CB-CE2 4.11Å; K275-F375 HydrophobicContact CB-CZ 4.37Å; K275-F375 HydrophobicContact CD-CD2 3.47Å; K275-F375 VanDerWaalsContact CD-CD2 3.47Å; K275-F375 HydrophobicContact CD-CE2 3.51Å; K275-F375 HydrophobicContact CD-CG 4.06Å; K275-F375 HydrophobicContact CD-CZ 4.14Å; K275-F375 HydrophobicContact CG-CD2 4.03Å; K275-F375 HydrophobicContact CG-CE1 4.36Å; K275-F375 HydrophobicContact CG-CE2 3.55Å; K275-F375 HydrophobicContact CG-CZ 3.74Å; E279-F375 HydrophobicContact CB-CD1 4.39Å; E279-F375 HydrophobicContact CB-CE1 3.53Å; E279-F375 HydrophobicContact CB-CZ 4.17Å; E279-F375 HydrophobicContact CG-CD1 4.04Å; E279-F375 HydrophobicContact CG-CE1 3.51Å; E279-F375 HydrophobicContact CG-CZ 4.11Å; T371-F375 PolarHBondContact O-N 3.24Å; M372-F375 WeakPolarHBondContact O-CB 3.44Å; M372-F375 PolarHBondContact O-N 3.04Å; M372-F375 VanDerWaalsContact O-N 3.08Å; R373-F375 VanDerWaalsContact C-N 3.31Å; R373-F375 PolarHBondContact O-N 2.95Å; F375-E377 PolarHBondContact O-N 2.89Å; F375-F378 PolarHBondContact O-N 2.94Å; F375-S379 WeakPolarHBondContact O-CB 3.4Å; F375-S379 PolarHBondContact O-N 3.5Å; F375-Y442 HydrophobicContact CB-CE2 4.01Å; F375-Y442 HydrophobicContact CD2-CE2 4.29Å
376	Y	80.5	Confident	79.3	Confident	10 Å²	10	65.7 Å²	65.7	4%	0.039	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-44.9	180	-79	-71.6	0	0	0	112.3	E279 A283 F358 F362 M372 R373 F378 S379 L380	E279-Y376 PolarHBondContact OE2-OH 2.63Å; A283-Y376 HydrophobicContact CB-CE1 4.32Å; F358-Y376 AromaticContact CE1-CD1 4Å; F358-Y376 HydrophobicContact CE1-CD1 4Å; F358-Y376 HydrophobicContact CE1-CE1 4.3Å; F358-Y376 HydrophobicContact CZ-CD1 4.12Å; F358-Y376 AromaticContact CZ-CE1 3.94Å; F358-Y376 HydrophobicContact CZ-CE1 3.94Å; F362-Y376 AromaticContact CD1-CD1 3.86Å; F362-Y376 HydrophobicContact CD1-CD1 3.86Å; F362-Y376 AromaticContact CD1-CD2 3.32Å; F362-Y376 HydrophobicContact CD1-CD2 3.32Å; F362-Y376 AromaticContact CD1-CE1 3.85Å; F362-Y376 HydrophobicContact CD1-CE1 3.85Å; F362-Y376 AromaticContact CD1-CE2 3.37Å; F362-Y376 HydrophobicContact CD1-CE2 3.37Å; F362-Y376 AromaticContact CD1-CG 3.62Å; F362-Y376 HydrophobicContact CD1-CG 3.62Å; F362-Y376 AromaticContact CD1-CZ 3.65Å; F362-Y376 HydrophobicContact CE1-CD1 4.06Å; F362-Y376 AromaticContact CE1-CD2 3.67Å; F362-Y376 HydrophobicContact CE1-CD2 3.67Å; F362-Y376 AromaticContact CE1-CE1 3.55Å; F362-Y376 HydrophobicContact CE1-CE1 3.55Å; F362-Y376 AromaticContact CE1-CE2 3.14Å; F362-Y376 HydrophobicContact CE1-CE2 3.14Å; F362-Y376 HydrophobicContact CE1-CG 4.13Å; F362-Y376 AromaticContact CE1-CZ 3.08Å; F362-Y376 WeakPolarHBondContact CE1-OH 3.47Å; F362-Y376 HydrophobicContact CE2-CE1 4.4Å; F362-Y376 HydrophobicContact CG-CD1 4.27Å; F362-Y376 HydrophobicContact CG-CD2 4.3Å; F362-Y376 HydrophobicContact CG-CE1 4.47Å; F362-Y376 HydrophobicContact CG-CG 4.2Å; F362-Y376 AromaticContact CZ-CE1 3.83Å; F362-Y376 HydrophobicContact CZ-CE1 3.83Å; F362-Y376 HydrophobicContact CZ-CE2 4.16Å; F362-Y376 AromaticContact CZ-CZ 3.65Å; M372-Y376 HydrophobicContact CG-CD2 3.71Å; M372-Y376 HydrophobicContact CG-CE2 3.34Å; M372-Y376 WeakPolarHBondContact O-CD2 3.4Å; M372-Y376 PolarHBondContact O-N 3.28Å; M372-Y376 HydrophobicContact SD-CE2 3.98Å; R373-Y376 PolarHBondContact O-N 3.03Å; Y376-F378 PolarHBondContact O-N 3.41Å; Y376-S379 WeakPolarHBondContact CA-OG 3.3Å; Y376-S379 PolarHBondContact O-N 3.43Å; Y376-S379 PolarHBondContact O-OG 3.22Å; Y376-L380 WeakPolarHBondContact O-CG 3.34Å; Y376-L380 PolarHBondContact O-N 3.47Å
377	E	82.1	Confident	80.6	Confident	80 Å²	80	65.1 Å²	65.1	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-55.9	-49.3	175.9	-73.7	170.7	-177.9	0	0	111.7	R373 F375 L380 Q381	R373-E377 HydrophobicContact CG-CG 4.41Å; R373-E377 WeakPolarHBondContact CG-OE1 3.4Å; R373-E377 IonicContact CZ-OE1 2.62Å; R373-E377 IonicContact NE-OE1 3.79Å; R373-E377 PolarHBondContact NE-OE1 3.38Å; R373-E377 IonicContact NH2-OE1 2.63Å; R373-E377 WeakPolarHBondContact O-CG 3.45Å; R373-E377 PolarHBondContact O-N 3.22Å; F375-E377 PolarHBondContact O-N 2.89Å; E377-L380 PolarHBondContact O-N 2.85Å; E377-Q381 WeakPolarHBondContact O-CG 3.27Å; E377-Q381 PolarHBondContact O-N 3.45Å
378	F	90.8	Very high	81.8	Confident	28 Å²	28	60.4 Å²	60.4	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-67.9	-35.5	177.6	-83.4	-105.6	0	0	0	112.5	W272 R374 F375 Y376 L380 Q381 Y382 I438 I441 Y442	W272-F378 HydrophobicContact CH2-CB 3.8Å; W272-F378 HydrophobicContact CZ3-CB 4.46Å; R374-F378 HydrophobicContact CG-CD2 4.07Å; R374-F378 HydrophobicContact CG-CE2 4.05Å; R374-F378 WeakPolarHBondContact O-CD2 3.21Å; R374-F378 PolarHBondContact O-N 3.38Å; R374-F378 VanDerWaalsContact O-N 3.16Å; F375-F378 PolarHBondContact O-N 2.94Å; Y376-F378 PolarHBondContact O-N 3.41Å; F378-L380 VanDerWaalsContact C-N 3.33Å; F378-L380 PolarHBondContact O-N 3.38Å; F378-Q381 PolarHBondContact O-N 3.22Å; F378-Y382 VanDerWaalsContact O-CB 3.28Å; F378-Y382 WeakPolarHBondContact O-CB 3.34Å; F378-Y382 PolarHBondContact O-N 2.85Å; F378-I438 HydrophobicContact CB-CG2 4.31Å; F378-I438 HydrophobicContact CD1-CG2 3.62Å; F378-I438 WeakPolarHBondContact CD1-O 3.32Å; F378-I438 HydrophobicContact CE1-CG2 4.41Å; F378-I438 VanDerWaalsContact CE1-O 3.29Å; F378-I438 WeakPolarHBondContact CE1-O 3.44Å; F378-I438 HydrophobicContact CG-CG2 4.35Å; F378-I441 HydrophobicContact CE1-CB 4.09Å; F378-I441 HydrophobicContact CE1-CG2 3.81Å; F378-I441 HydrophobicContact CZ-CG2 3.95Å; F378-Y442 HydrophobicContact CB-CD2 4.1Å; F378-Y442 VanDerWaalsContact CD1-CB 3.48Å; F378-Y442 HydrophobicContact CD1-CD2 4.39Å; F378-Y442 HydrophobicContact CD1-CG 4.41Å; F378-Y442 HydrophobicContact CD2-CD2 4.29Å; F378-Y442 HydrophobicContact CG-CD2 4Å; F378-Y442 HydrophobicContact CG-CG 4.44Å
379	S	87.9	Confident	83.1	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-36.5	176.8	82.5	0	0	0	0	112.5	F375 Y376 K383	F375-S379 WeakPolarHBondContact O-CB 3.4Å; F375-S379 PolarHBondContact O-N 3.5Å; Y376-S379 WeakPolarHBondContact CA-OG 3.3Å; Y376-S379 PolarHBondContact O-N 3.43Å; Y376-S379 PolarHBondContact O-OG 3.22Å; S379-K383 WeakPolarHBondContact O-CB 3.33Å; S379-K383 VanDerWaalsContact O-CG 3.3Å; S379-K383 WeakPolarHBondContact O-CG 3.47Å; S379-K383 PolarHBondContact O-N 3.48Å
380	L	81.9	Confident	84.2	Confident	50 Å²	50	60.2 Å²	60.2	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-69.4	-44	176.5	-74	169.6	0	0	0	110.6	F358 Y376 E377 F378 K383 K384	F358-L380 HydrophobicContact CD1-CD2 4.33Å; F358-L380 HydrophobicContact CE1-CD2 4.47Å; Y376-L380 WeakPolarHBondContact O-CG 3.34Å; Y376-L380 PolarHBondContact O-N 3.47Å; E377-L380 PolarHBondContact O-N 2.85Å; F378-L380 VanDerWaalsContact C-N 3.33Å; F378-L380 PolarHBondContact O-N 3.38Å; L380-K383 PolarHBondContact O-N 3.31Å; L380-K384 WeakPolarHBondContact O-CG 3.44Å; L380-K384 PolarHBondContact O-N 2.89Å
381	Q	88.5	Confident	84.9	Confident	66 Å²	66	61.6 Å²	61.6	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-46.9	174.4	-67.4	175.3	27.2	0	0	110.9	E377 F378 K383 K384 Q385 I438	E377-Q381 WeakPolarHBondContact O-CG 3.27Å; E377-Q381 PolarHBondContact O-N 3.45Å; F378-Q381 PolarHBondContact O-N 3.22Å; Q381-K383 PolarHBondContact O-N 2.72Å; Q381-K384 WeakPolarHBondContact O-CB 3.46Å; Q381-K384 PolarHBondContact O-N 2.91Å; Q381-Q385 PolarHBondContact O-N 3.29Å; Q381-I438 HydrophobicContact CB-CD1 3.91Å; Q381-I438 HydrophobicContact CB-CG1 4.48Å; Q381-I438 HydrophobicContact CB-CG2 4.06Å
382	Y	90.2	Very high	85.5	Confident	27 Å²	27	59.6 Å²	59.6	11%	0.106	29%	0.289	C	S	.	.	H	α-helix	trans	-55.2	-46.9	175.2	172.7	-93.4	0	0	0	112.7	W272 F378 Q385 M386 K435 V439	W272-Y382 HydrophobicContact CZ2-CG 4.17Å; W272-Y382 AromaticContact NE1-CD1 3.85Å; W272-Y382 AromaticContact NE1-CD2 3.72Å; W272-Y382 AromaticContact NE1-CE1 3.87Å; W272-Y382 AromaticContact NE1-CE2 3.72Å; W272-Y382 AromaticContact NE1-CG 3.78Å; W272-Y382 AromaticContact NE1-CZ 3.81Å; F378-Y382 VanDerWaalsContact O-CB 3.28Å; F378-Y382 WeakPolarHBondContact O-CB 3.34Å; F378-Y382 PolarHBondContact O-N 2.85Å; Y382-Q385 PolarHBondContact O-N 3.4Å; Y382-M386 HydrophobicContact CD1-CE 4.05Å; Y382-M386 HydrophobicContact CE1-CE 3.29Å; Y382-K435 HydrophobicContact CD2-CD 4.45Å; Y382-K435 HydrophobicContact CD2-CG 3.47Å; Y382-K435 VanDerWaalsContact CD2-CG 3.47Å; Y382-K435 HydrophobicContact CE2-CD 3.98Å; Y382-K435 HydrophobicContact CE2-CG 3.38Å; Y382-K435 HydrophobicContact CG-CG 4.32Å; Y382-K435 WeakPolarHBondContact OH-CE 3.36Å; Y382-V439 HydrophobicContact CD2-CG2 3.43Å; Y382-V439 VanDerWaalsContact CD2-CG2 3.43Å; Y382-V439 HydrophobicContact CE2-CG2 3.81Å; Y382-V439 HydrophobicContact CG-CG2 4.35Å
383	K	85.8	Confident	86.2	Confident	108 Å²	108	62.3 Å²	62.3	47%	0.47	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-33.3	179.1	-74.1	176.3	-177.3	-178.7	0	112.9	S379 L380 Q381 Q385 M386	S379-K383 WeakPolarHBondContact O-CB 3.33Å; S379-K383 VanDerWaalsContact O-CG 3.3Å; S379-K383 WeakPolarHBondContact O-CG 3.47Å; S379-K383 PolarHBondContact O-N 3.48Å; L380-K383 PolarHBondContact O-N 3.31Å; Q381-K383 PolarHBondContact O-N 2.72Å; K383-Q385 PolarHBondContact O-N 2.8Å; K383-M386 WeakPolarHBondContact O-CB 3.38Å; K383-M386 PolarHBondContact O-N 3.41Å
384	K	84	Confident	87	Confident	159 Å²	159	66 Å²	66	69%	0.691	31%	0.313	S	S	*	.	H	α-helix	trans	-63.1	-23.9	176.6	-76.4	175	-179.3	-176.1	0	113.1	L380 Q381 M386	L380-K384 WeakPolarHBondContact O-CG 3.44Å; L380-K384 PolarHBondContact O-N 2.89Å; Q381-K384 WeakPolarHBondContact O-CB 3.46Å; Q381-K384 PolarHBondContact O-N 2.91Å; K384-M386 PolarHBondContact O-N 3.23Å
385	Q	90.6	Very high	87.5	Confident	18 Å²	18	62.7 Å²	62.7	8%	0.084	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	10.8	178.3	-57.5	-55.1	-28.3	0	0	113.9	Q381 Y382 K383 V434 K435 I438 D461	Q381-Q385 PolarHBondContact O-N 3.29Å; Y382-Q385 PolarHBondContact O-N 3.4Å; K383-Q385 PolarHBondContact O-N 2.8Å; Q385-V434 HydrophobicContact CG-CB 4.41Å; Q385-V434 HydrophobicContact CG-CG1 3.87Å; Q385-K435 HydrophobicContact CB-CB 3.67Å; Q385-K435 HydrophobicContact CB-CG 4.31Å; Q385-K435 HydrophobicContact CG-CB 4.24Å; Q385-I438 HydrophobicContact CG-CD1 3.88Å; Q385-D461 PolarHBondContact NE2-OD1 3.09Å
386	M	87	Confident	87.8	Confident	92 Å²	92	65.3 Å²	65.3	45%	0.453	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-102.5	121.7	176.5	-61.7	-178.2	172.7	0	0	110.4	Y382 K383 K384	Y382-M386 HydrophobicContact CD1-CE 4.05Å; Y382-M386 HydrophobicContact CE1-CE 3.29Å; K383-M386 WeakPolarHBondContact O-CB 3.38Å; K383-M386 PolarHBondContact O-N 3.41Å; K384-M386 PolarHBondContact O-N 3.23Å
387	L	85.8	Confident	88.4	Confident	29 Å²	29	68.1 Å²	68.1	15%	0.152	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-89.6	129.3	170.9	-64.5	173.8	0	0	0	109.9	I392 M395 L427 K428 M431 L468	L387-I392 HydrophobicContact CB-CD1 4.06Å; L387-I392 HydrophobicContact CB-CG1 3.96Å; L387-I392 HydrophobicContact CD1-CG1 4.47Å; L387-M395 HydrophobicContact CD1-CE 4.14Å; L387-L427 HydrophobicContact CD1-CD2 4.06Å; L387-L427 HydrophobicContact CD1-CG 4.31Å; L387-K428 HydrophobicContact CD1-CG 4.18Å; L387-M431 HydrophobicContact CD1-SD 3.66Å; L387-M431 HydrophobicContact CD2-CE 3.93Å; L387-M431 HydrophobicContact CD2-SD 3.91Å; L387-M431 HydrophobicContact CG-CE 3.94Å; L387-M431 HydrophobicContact CG-SD 3.69Å; L387-L468 HydrophobicContact CD2-CD1 3.99Å; L387-L468 HydrophobicContact CD2-CD2 4.42Å
388	D	84.5	Confident	88.9	Confident	79 Å²	79	65.4 Å²	65.4	42%	0.422	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-75.7	154.4	173.5	71.8	89.9	0	0	0	111.7	N390 R391 I392	D388-N390 VanDerWaalsContact C-N 3.26Å; D388-N390 PolarHBondContact O-N 3.21Å; D388-N390 WeakPolarHBondContact OD1-CA 3.38Å; D388-N390 VanDerWaalsContact OD1-CB 3.32Å; D388-N390 WeakPolarHBondContact OD1-CB 3.48Å; D388-N390 PolarHBondContact OD1-N 2.89Å; D388-R391 PolarHBondContact O-N 3.27Å; D388-R391 PolarHBondContact OD1-N 3.34Å; D388-R391 WeakPolarHBondContact OD2-CB 3.01Å; D388-I392 WeakPolarHBondContact O-CG1 3.42Å; D388-I392 PolarHBondContact O-N 3.07Å; D388-I392 VanDerWaalsContact O-N 3.07Å
389	A	87.8	Confident	89	Confident	76 Å²	76	64.3 Å²	64.3	63%	0.628	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-30.8	-176.3	0	0	0	0	0	113.5	K393	A389-K393 WeakPolarHBondContact O-CB 3.22Å; A389-K393 PolarHBondContact O-N 3.42Å
390	N	86.5	Confident	89.1	Confident	115 Å²	115	69.5 Å²	69.5	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-73.6	-38.3	178.9	-67.9	-38.3	0	0	0	111.3	D388 K393 R394	D388-N390 VanDerWaalsContact C-N 3.26Å; D388-N390 PolarHBondContact O-N 3.21Å; D388-N390 WeakPolarHBondContact OD1-CA 3.38Å; D388-N390 VanDerWaalsContact OD1-CB 3.32Å; D388-N390 WeakPolarHBondContact OD1-CB 3.48Å; D388-N390 PolarHBondContact OD1-N 2.89Å; N390-K393 PolarHBondContact O-N 2.92Å; N390-R394 WeakPolarHBondContact O-CG 3.32Å; N390-R394 PolarHBondContact O-N 3.16Å
391	R	88.4	Confident	89.5	Confident	61 Å²	61	72.7 Å²	72.7	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-46.2	172.5	-168.9	174.5	-167.5	-166.6	3	111.5	D388 K393 R394 M395 L468 E472	D388-R391 PolarHBondContact O-N 3.27Å; D388-R391 PolarHBondContact OD1-N 3.34Å; D388-R391 WeakPolarHBondContact OD2-CB 3.01Å; R391-K393 VanDerWaalsContact C-N 3.35Å; R391-K393 PolarHBondContact O-N 2.88Å; R391-R394 PolarHBondContact O-N 3.31Å; R391-M395 WeakPolarHBondContact O-CG 3.44Å; R391-M395 PolarHBondContact O-N 3.03Å; R391-L468 VanDerWaalsContact NH2-CD2 3.31Å; R391-E472 WeakPolarHBondContact CG-OE1 3.39Å; R391-E472 IonicContact CZ-OE1 2.86Å; R391-E472 IonicContact CZ-OE2 3.76Å; R391-E472 IonicContact NE-OE1 3.98Å; R391-E472 PolarHBondContact NE-OE1 3.5Å; R391-E472 IonicContact NE-OE2 2.92Å; R391-E472 IonicContact NH2-OE1 3.1Å; R391-E472 PolarHBondContact NH2-OE1 3.4Å; R391-E472 IonicContact NH2-OE2 3.64Å; R391-E472 PolarHBondContact NH2-OE2 3.27Å
392	I	90.7	Very high	89.6	Confident	37 Å²	37	69.7 Å²	69.7	19%	0.19	33%	0.33	C	S	.	.	H	α-helix	trans	-56.5	-48.8	173.5	-66.6	169.4	0	0	0	110.9	L387 D388 R394 M395 N396 V424 K428	L387-I392 HydrophobicContact CB-CD1 4.06Å; L387-I392 HydrophobicContact CB-CG1 3.96Å; L387-I392 HydrophobicContact CD1-CG1 4.47Å; D388-I392 WeakPolarHBondContact O-CG1 3.42Å; D388-I392 PolarHBondContact O-N 3.07Å; D388-I392 VanDerWaalsContact O-N 3.07Å; I392-R394 VanDerWaalsContact C-N 3.34Å; I392-R394 PolarHBondContact O-N 3.34Å; I392-M395 HydrophobicContact CG1-CE 4.29Å; I392-M395 PolarHBondContact O-N 2.93Å; I392-N396 PolarHBondContact O-N 3.3Å; I392-V424 HydrophobicContact CG2-CG1 4.01Å; I392-K428 HydrophobicContact CD1-CD 4.2Å
393	K	92	Very high	89.5	Confident	124 Å²	124	68.5 Å²	68.5	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-43	178.1	-175	178.4	-179.8	179.3	0	112.4	A389 N390 R391 N396 Q397	A389-K393 WeakPolarHBondContact O-CB 3.22Å; A389-K393 PolarHBondContact O-N 3.42Å; N390-K393 PolarHBondContact O-N 2.92Å; R391-K393 VanDerWaalsContact C-N 3.35Å; R391-K393 PolarHBondContact O-N 2.88Å; K393-N396 PolarHBondContact O-N 2.81Å; K393-Q397 VanDerWaalsContact O-CG 3.29Å; K393-Q397 WeakPolarHBondContact O-CG 3.5Å; K393-Q397 PolarHBondContact O-N 2.87Å; K393-Q397 VanDerWaalsContact O-N 3.08Å
394	R	91.4	Very high	89.6	Confident	148 Å²	148	67 Å²	67	56%	0.558	33%	0.326	S	S	*	.	H	α-helix	trans	-63.4	-44.5	177.9	-75.9	-175	-67	-176.9	2.5	112.1	N390 R391 I392 Q397 T398	N390-R394 WeakPolarHBondContact O-CG 3.32Å; N390-R394 PolarHBondContact O-N 3.16Å; R391-R394 PolarHBondContact O-N 3.31Å; I392-R394 VanDerWaalsContact C-N 3.34Å; I392-R394 PolarHBondContact O-N 3.34Å; R394-Q397 PolarHBondContact O-N 3.08Å; R394-T398 PolarHBondContact O-N 3.39Å; R394-T398 PolarHBondContact O-OG1 2.82Å
395	M	93.6	Very high	89.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-47.8	177	-69.1	-175.4	-64.8	0	0	111.6	L387 R391 I392 Q397 T398 I399 V424 L427 L468 L471 E472	L387-M395 HydrophobicContact CD1-CE 4.14Å; R391-M395 WeakPolarHBondContact O-CG 3.44Å; R391-M395 PolarHBondContact O-N 3.03Å; I392-M395 HydrophobicContact CG1-CE 4.29Å; I392-M395 PolarHBondContact O-N 2.93Å; M395-Q397 VanDerWaalsContact C-N 3.31Å; M395-Q397 PolarHBondContact O-N 3.17Å; M395-T398 WeakPolarHBondContact O-CB 3.46Å; M395-T398 PolarHBondContact O-N 3.02Å; M395-T398 VanDerWaalsContact O-N 3.08Å; M395-I399 VanDerWaalsContact O-CG1 3.3Å; M395-I399 WeakPolarHBondContact O-CG1 3.5Å; M395-I399 PolarHBondContact O-N 2.82Å; M395-V424 HydrophobicContact CB-CG2 3.96Å; M395-V424 HydrophobicContact CE-CG1 4.24Å; M395-L427 HydrophobicContact CE-CD2 4.45Å; M395-L427 HydrophobicContact SD-CD2 4.27Å; M395-L468 HydrophobicContact CE-CD1 4.38Å; M395-L468 HydrophobicContact SD-CD1 3.65Å; M395-L471 HydrophobicContact CB-CB 4.36Å; M395-L471 HydrophobicContact CG-CB 4.14Å; M395-L471 HydrophobicContact SD-CB 3.85Å; M395-L471 HydrophobicContact SD-CD1 4.49Å; M395-E472 HydrophobicContact CG-CG 3.91Å; M395-E472 HydrophobicContact SD-CG 4.04Å
396	N	93.9	Very high	89.6	Confident	58 Å²	58	59.5 Å²	59.5	31%	0.31	30%	0.296	S	S	.	.	H	α-helix	trans	-57.6	-43.7	177	-74.5	-19	0	0	0	111.8	I392 K393 T398 I399 E400 V424	I392-N396 PolarHBondContact O-N 3.3Å; K393-N396 PolarHBondContact O-N 2.81Å; N396-T398 PolarHBondContact O-N 3.45Å; N396-I399 PolarHBondContact O-N 2.91Å; N396-E400 WeakPolarHBondContact O-CB 3.45Å; N396-E400 VanDerWaalsContact O-CG 3.32Å; N396-E400 WeakPolarHBondContact O-CG 3.34Å; N396-E400 PolarHBondContact O-N 3.26Å; N396-V424 VanDerWaalsContact OD1-CG2 3.31Å; N396-V424 WeakPolarHBondContact OD1-CG2 3.4Å
397	Q	93.6	Very high	89.4	Confident	68 Å²	68	61.8 Å²	61.8	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-37.5	175.6	-71.5	175.7	-7.5	0	0	113.1	K393 R394 M395 R401	K393-Q397 VanDerWaalsContact O-CG 3.29Å; K393-Q397 WeakPolarHBondContact O-CG 3.5Å; K393-Q397 PolarHBondContact O-N 2.87Å; K393-Q397 VanDerWaalsContact O-N 3.08Å; R394-Q397 PolarHBondContact O-N 3.08Å; M395-Q397 VanDerWaalsContact C-N 3.31Å; M395-Q397 PolarHBondContact O-N 3.17Å; Q397-R401 WeakPolarHBondContact O-CD 3.3Å; Q397-R401 WeakPolarHBondContact O-CG 3.42Å; Q397-R401 PolarHBondContact O-N 3.45Å; Q397-R401 VanDerWaalsContact O-N 3.15Å
398	T	91.9	Very high	89.2	Confident	24 Å²	24	67.2 Å²	67.2	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-43.6	175.2	-65.9	0	0	0	0	111.1	R394 M395 N396 R401 N402	R394-T398 PolarHBondContact O-N 3.39Å; R394-T398 PolarHBondContact O-OG1 2.82Å; M395-T398 WeakPolarHBondContact O-CB 3.46Å; M395-T398 PolarHBondContact O-N 3.02Å; M395-T398 VanDerWaalsContact O-N 3.08Å; N396-T398 PolarHBondContact O-N 3.45Å; T398-R401 PolarHBondContact O-N 2.93Å; T398-N402 PolarHBondContact O-N 3.24Å
399	I	92.1	Very high	88.6	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-50.7	176.6	-66.8	163.8	0	0	0	110.5	M395 N396 R401 N402 I403 L420 V424 L471	M395-I399 VanDerWaalsContact O-CG1 3.3Å; M395-I399 WeakPolarHBondContact O-CG1 3.5Å; M395-I399 PolarHBondContact O-N 2.82Å; N396-I399 PolarHBondContact O-N 2.91Å; I399-R401 VanDerWaalsContact C-N 3.31Å; I399-R401 PolarHBondContact O-N 2.75Å; I399-N402 PolarHBondContact O-N 2.94Å; I399-N402 VanDerWaalsContact O-N 3.1Å; I399-I403 HydrophobicContact CG2-CD1 3.53Å; I399-I403 HydrophobicContact CG2-CG1 4.13Å; I399-I403 WeakPolarHBondContact O-CB 3.44Å; I399-I403 WeakPolarHBondContact O-CG1 3.25Å; I399-I403 PolarHBondContact O-N 2.63Å; I399-L420 HydrophobicContact CG2-CB 4.21Å; I399-V424 HydrophobicContact CD1-CG2 3.43Å; I399-V424 VanDerWaalsContact CD1-CG2 3.43Å; I399-L471 HydrophobicContact CD1-CD2 3.85Å; I399-L471 HydrophobicContact CG1-CD2 4.14Å
400	E	91.5	Very high	87.5	Confident	116 Å²	116	66.1 Å²	66.1	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-55.5	-43.7	178.6	-75.8	170.5	-175	0	0	112.3	N396 I403 T404	N396-E400 WeakPolarHBondContact O-CB 3.45Å; N396-E400 VanDerWaalsContact O-CG 3.32Å; N396-E400 WeakPolarHBondContact O-CG 3.34Å; N396-E400 PolarHBondContact O-N 3.26Å; E400-I403 PolarHBondContact O-N 3.46Å; E400-T404 WeakPolarHBondContact O-CB 3.42Å; E400-T404 PolarHBondContact O-N 2.93Å; E400-T404 PolarHBondContact O-OG1 3.11Å
401	R	90.5	Very high	86.5	Confident	116 Å²	116	68.8 Å²	68.8	44%	0.438	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-44	176.8	-71.7	170.4	-166.5	139.5	3.5	111.8	Q397 T398 I399 T404 A405	Q397-R401 WeakPolarHBondContact O-CD 3.3Å; Q397-R401 WeakPolarHBondContact O-CG 3.42Å; Q397-R401 PolarHBondContact O-N 3.45Å; Q397-R401 VanDerWaalsContact O-N 3.15Å; T398-R401 PolarHBondContact O-N 2.93Å; I399-R401 VanDerWaalsContact C-N 3.31Å; I399-R401 PolarHBondContact O-N 2.75Å; R401-T404 PolarHBondContact O-N 3.15Å; R401-A405 PolarHBondContact O-N 3.03Å
402	N	90	Very high	85.6	Confident	3 Å²	3	67 Å²	67	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-71.5	-37.1	-179.7	-68.5	-11.5	0	0	0	111.9	T398 I399 T404 A405 L406 S475 L483 W486	T398-N402 PolarHBondContact O-N 3.24Å; I399-N402 PolarHBondContact O-N 2.94Å; I399-N402 VanDerWaalsContact O-N 3.1Å; N402-T404 VanDerWaalsContact C-N 3.35Å; N402-A405 PolarHBondContact O-N 3.23Å; N402-L406 WeakPolarHBondContact O-CB 3.27Å; N402-L406 WeakPolarHBondContact O-CG 3.2Å; N402-L406 PolarHBondContact O-N 3.36Å; N402-S475 PolarHBondContact ND2-N 3.49Å; N402-L483 HydrophobicContact CB-CD1 3.91Å; N402-W486 HydrophobicContact CB-CE3 3.95Å; N402-W486 HydrophobicContact CB-CH2 3.52Å; N402-W486 HydrophobicContact CB-CZ2 4.22Å; N402-W486 HydrophobicContact CB-CZ3 3.37Å; N402-W486 WeakPolarHBondContact ND2-CZ2 3.29Å
403	I	88.4	Confident	84.7	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-44	172.2	-72.4	175.5	0	0	0	110.5	I399 E400 A405 L406 R407 T417 L420 E421	I399-I403 HydrophobicContact CG2-CD1 3.53Å; I399-I403 HydrophobicContact CG2-CG1 4.13Å; I399-I403 WeakPolarHBondContact O-CB 3.44Å; I399-I403 WeakPolarHBondContact O-CG1 3.25Å; I399-I403 PolarHBondContact O-N 2.63Å; E400-I403 PolarHBondContact O-N 3.46Å; I403-A405 VanDerWaalsContact C-N 3.32Å; I403-A405 PolarHBondContact O-N 3.09Å; I403-L406 WeakPolarHBondContact O-CB 3.33Å; I403-L406 PolarHBondContact O-N 3.02Å; I403-R407 HydrophobicContact CG2-CG 4.48Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 3.1Å; I403-T417 HydrophobicContact CG2-CG2 3.82Å; I403-L420 HydrophobicContact CD1-CB 3.83Å; I403-L420 HydrophobicContact CD1-CD1 4.37Å; I403-L420 HydrophobicContact CG1-CB 4.15Å; I403-L420 HydrophobicContact CG1-CD1 3.79Å; I403-E421 HydrophobicContact CD1-CG 3.61Å
404	T	88.2	Confident	83.7	Confident	76 Å²	76	76 Å²	76	47%	0.466	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-44.2	176.4	-57.5	0	0	0	0	111	E400 R401 N402 R407 I408	E400-T404 WeakPolarHBondContact O-CB 3.42Å; E400-T404 PolarHBondContact O-N 2.93Å; E400-T404 PolarHBondContact O-OG1 3.11Å; R401-T404 PolarHBondContact O-N 3.15Å; N402-T404 VanDerWaalsContact C-N 3.35Å; T404-R407 PolarHBondContact O-N 2.88Å; T404-I408 HydrophobicContact CG2-CD1 4.2Å; T404-I408 WeakPolarHBondContact O-CG1 3.32Å; T404-I408 PolarHBondContact O-N 2.89Å
405	A	87.4	Confident	82.8	Confident	17 Å²	17	71.8 Å²	71.8	14%	0.14	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-38.9	175.3	0	0	0	0	0	112.9	R401 N402 I403 I408 A409 R478 L483	R401-A405 PolarHBondContact O-N 3.03Å; N402-A405 PolarHBondContact O-N 3.23Å; I403-A405 VanDerWaalsContact C-N 3.32Å; I403-A405 PolarHBondContact O-N 3.09Å; A405-I408 PolarHBondContact O-N 3.15Å; A405-A409 VanDerWaalsContact O-CB 3.26Å; A405-A409 WeakPolarHBondContact O-CB 3.31Å; A405-A409 PolarHBondContact O-N 3.3Å; A405-R478 HydrophobicContact CB-CB 4.17Å; A405-L483 HydrophobicContact CB-CD2 3.63Å
406	L	86.3	Confident	81.9	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-43.8	175.8	-81.1	169	0	0	0	111.1	N402 I403 I408 Q410 V412 L420 L483 L484 W486 R487	N402-L406 WeakPolarHBondContact O-CB 3.27Å; N402-L406 WeakPolarHBondContact O-CG 3.2Å; N402-L406 PolarHBondContact O-N 3.36Å; I403-L406 WeakPolarHBondContact O-CB 3.33Å; I403-L406 PolarHBondContact O-N 3.02Å; L406-I408 VanDerWaalsContact C-N 3.33Å; L406-I408 PolarHBondContact O-N 3.05Å; L406-Q410 PolarHBondContact O-N 2.93Å; L406-Q410 VanDerWaalsContact O-N 3.08Å; L406-V412 HydrophobicContact CB-CG2 4.1Å; L406-V412 HydrophobicContact CD2-CG2 4.08Å; L406-L420 HydrophobicContact CD1-CD1 3.72Å; L406-L483 HydrophobicContact CB-CD2 4.37Å; L406-L483 HydrophobicContact CD2-CD2 3.81Å; L406-L483 HydrophobicContact CD2-CG 3.63Å; L406-L483 HydrophobicContact CG-CD1 4.26Å; L406-L483 HydrophobicContact CG-CD2 3.73Å; L406-L483 HydrophobicContact CG-CG 3.73Å; L406-L484 HydrophobicContact CD2-CD2 4.43Å; L406-W486 HydrophobicContact CD1-CZ3 4.26Å; L406-R487 HydrophobicContact CD1-CB 4.31Å; L406-R487 HydrophobicContact CD1-CG 4.4Å
407	R	83.2	Confident	81.3	Confident	141 Å²	141	71 Å²	71	53%	0.532	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-34.5	178.4	-71.6	176.4	-178.9	170.2	6.3	113	I403 T404 T417 E421	I403-R407 HydrophobicContact CG2-CG 4.48Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 3.1Å; T404-R407 PolarHBondContact O-N 2.88Å; R407-T417 PolarHBondContact NH2-OG1 3.19Å; R407-E421 IonicContact NH2-OE1 2.75Å
408	I	81.4	Confident	80.9	Confident	142 Å²	142	69.9 Å²	69.9	73%	0.728	34%	0.336	S	S	*	.	H	α-helix	trans	-78.1	-46	178.4	-65.2	166.3	0	0	0	110.9	T404 A405 L406	T404-I408 HydrophobicContact CG2-CD1 4.2Å; T404-I408 WeakPolarHBondContact O-CG1 3.32Å; T404-I408 PolarHBondContact O-N 2.89Å; A405-I408 PolarHBondContact O-N 3.15Å; L406-I408 VanDerWaalsContact C-N 3.33Å; L406-I408 PolarHBondContact O-N 3.05Å
409	A	71.7	Confident	80.7	Confident	56 Å²	56	70.4 Å²	70.4	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-75.5	-32.5	-170.4	0	0	0	0	0	112.6	A405	A405-A409 VanDerWaalsContact O-CB 3.26Å; A405-A409 WeakPolarHBondContact O-CB 3.31Å; A405-A409 PolarHBondContact O-N 3.3Å
410	Q	64.9	Low	80.7	Confident	77 Å²	77	70.2 Å²	70.2	36%	0.36	34%	0.338	S	S	.	.	S	Bend	trans	-150.1	150.7	-168.9	-64	-171.6	-6.3	0	0	111.2	L406 V412	L406-Q410 PolarHBondContact O-N 2.93Å; L406-Q410 VanDerWaalsContact O-N 3.08Å; Q410-V412 HydrophobicContact CB-CG2 3.96Å; Q410-V412 PolarHBondContact O-N 3.1Å
411	N	64.9	Low	80.6	Confident	171 Å²	171	69.2 Å²	69.2	91%	0.914	33%	0.334	S	S	*	.			trans	-73.4	59	177.5	-161.3	14.6	0	0	0	111
412	V	70.7	Confident	80.7	Confident	22 Å²	22	66.8 Å²	66.8	13%	0.133	33%	0.329	C	S	.	.			trans	-70.2	131.9	-178.1	178.4	0	0	0	0	109	L406 Q410 D416 T417	L406-V412 HydrophobicContact CB-CG2 4.1Å; L406-V412 HydrophobicContact CD2-CG2 4.08Å; Q410-V412 HydrophobicContact CB-CG2 3.96Å; Q410-V412 PolarHBondContact O-N 3.1Å; V412-D416 HydrophobicContact CG1-CB 3.8Å; V412-T417 HydrophobicContact CG1-CG2 4.43Å
413	R	71.1	Confident	81	Confident	188 Å²	188	66.6 Å²	66.6	71%	0.709	33%	0.328	S	S	*	.			trans	-63.6	140.9	-179.3	-65	-179.4	175.5	-177	-1.1	109.6	I415 D416	R413-I415 HydrophobicContact CB-CG2 4.02Å; R413-I415 PolarHBondContact O-N 2.85Å; R413-I415 VanDerWaalsContact O-N 3.11Å; R413-D416 WeakPolarHBondContact O-CB 3.42Å; R413-D416 PolarHBondContact O-N 3.26Å
414	W	71.5	Confident	81.3	Confident	164 Å²	164	66.7 Å²	66.7	62%	0.621	33%	0.329	S	S	*	.	H	α-helix	trans	-52.6	-35.7	178.3	66.4	-92.4	0	0	0	112.6	D416 T417 V418	W414-D416 VanDerWaalsContact C-N 3.31Å; W414-D416 PolarHBondContact O-N 2.94Å; W414-T417 PolarHBondContact O-N 3.44Å; W414-T417 PolarHBondContact O-OG1 3.44Å; W414-V418 HydrophobicContact CE3-CG2 4.01Å; W414-V418 HydrophobicContact CZ3-CG2 4.19Å; W414-V418 PolarHBondContact O-N 3.12Å
415	I	72.1	Confident	81.5	Confident	58 Å²	58	66.2 Å²	66.2	30%	0.297	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-32.2	-178.7	-164.8	154.1	0	0	0	113.6	M40 R413 T417 V418 T419	M40-I415 HydrophobicContact CE-CD1 3.68Å; R413-I415 HydrophobicContact CB-CG2 4.02Å; R413-I415 PolarHBondContact O-N 2.85Å; R413-I415 VanDerWaalsContact O-N 3.11Å; I415-T417 VanDerWaalsContact C-N 3.26Å; I415-T417 PolarHBondContact O-N 3.04Å; I415-V418 PolarHBondContact O-N 3.28Å; I415-T419 PolarHBondContact O-N 3.19Å; I415-T419 VanDerWaalsContact O-N 3.13Å; I415-T419 PolarHBondContact O-OG1 3.13Å
416	D	74.5	Confident	81.9	Confident	39 Å²	39	65.9 Å²	65.9	21%	0.209	32%	0.318	C	S	.	.	H	α-helix	trans	-67.3	-34.4	175.4	-63.3	-20.9	0	0	0	110	V412 R413 W414 T419 L420 R487	V412-D416 HydrophobicContact CG1-CB 3.8Å; R413-D416 WeakPolarHBondContact O-CB 3.42Å; R413-D416 PolarHBondContact O-N 3.26Å; W414-D416 VanDerWaalsContact C-N 3.31Å; W414-D416 PolarHBondContact O-N 2.94Å; D416-T419 PolarHBondContact O-N 2.76Å; D416-L420 WeakPolarHBondContact O-CG 3.48Å; D416-L420 PolarHBondContact O-N 3.22Å; D416-R487 IonicContact OD2-CZ 3.13Å; D416-R487 IonicContact OD2-NH1 2.89Å; D416-R487 PolarHBondContact OD2-NH1 2.99Å
417	T	81.3	Confident	82.4	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-70.2	-38.2	178.4	67.2	0	0	0	0	112	I403 R407 V412 W414 I415 T419 L420 E421	I403-T417 HydrophobicContact CG2-CG2 3.82Å; R407-T417 PolarHBondContact NH2-OG1 3.19Å; V412-T417 HydrophobicContact CG1-CG2 4.43Å; W414-T417 PolarHBondContact O-N 3.44Å; W414-T417 PolarHBondContact O-OG1 3.44Å; I415-T417 VanDerWaalsContact C-N 3.26Å; I415-T417 PolarHBondContact O-N 3.04Å; T417-T419 PolarHBondContact O-N 3.05Å; T417-L420 PolarHBondContact O-N 3.21Å; T417-E421 WeakPolarHBondContact O-CG 3.42Å; T417-E421 PolarHBondContact O-N 2.93Å
418	V	85.9	Confident	82.9	Confident	44 Å²	44	62.8 Å²	62.8	27%	0.267	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-42.9	174.6	177.8	0	0	0	0	111	W414 I415 L420 E421 D422	W414-V418 HydrophobicContact CE3-CG2 4.01Å; W414-V418 HydrophobicContact CZ3-CG2 4.19Å; W414-V418 PolarHBondContact O-N 3.12Å; I415-V418 PolarHBondContact O-N 3.28Å; V418-L420 VanDerWaalsContact C-N 3.27Å; V418-L420 PolarHBondContact O-N 3.16Å; V418-E421 PolarHBondContact O-N 2.88Å; V418-E421 VanDerWaalsContact O-N 3.16Å; V418-D422 PolarHBondContact O-N 3.42Å
419	T	87.8	Confident	83.6	Confident	34 Å²	34	60 Å²	60	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-38	178.1	-55.4	0	0	0	0	112.1	I415 D416 T417 S423 V491	I415-T419 PolarHBondContact O-N 3.19Å; I415-T419 VanDerWaalsContact O-N 3.13Å; I415-T419 PolarHBondContact O-OG1 3.13Å; D416-T419 PolarHBondContact O-N 2.76Å; T417-T419 PolarHBondContact O-N 3.05Å; T419-S423 PolarHBondContact O-N 3.01Å; T419-S423 PolarHBondContact O-OG 3.47Å; T419-V491 HydrophobicContact CG2-CG2 4.12Å
420	L	91	Very high	84.8	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-43.4	175	-70.1	174.3	0	0	0	111.8	I399 I403 L406 D416 T417 V418 D422 S423 W486 R487 V490	I399-L420 HydrophobicContact CG2-CB 4.21Å; I403-L420 HydrophobicContact CD1-CB 3.83Å; I403-L420 HydrophobicContact CD1-CD1 4.37Å; I403-L420 HydrophobicContact CG1-CB 4.15Å; I403-L420 HydrophobicContact CG1-CD1 3.79Å; L406-L420 HydrophobicContact CD1-CD1 3.72Å; D416-L420 WeakPolarHBondContact O-CG 3.48Å; D416-L420 PolarHBondContact O-N 3.22Å; T417-L420 PolarHBondContact O-N 3.21Å; V418-L420 VanDerWaalsContact C-N 3.27Å; V418-L420 PolarHBondContact O-N 3.16Å; L420-D422 VanDerWaalsContact C-N 3.29Å; L420-D422 PolarHBondContact O-N 3.11Å; L420-S423 VanDerWaalsContact O-CB 3.22Å; L420-S423 WeakPolarHBondContact O-CB 3.43Å; L420-S423 PolarHBondContact O-N 2.9Å; L420-S423 VanDerWaalsContact O-N 3.15Å; L420-S423 PolarHBondContact O-OG 2.89Å; L420-W486 HydrophobicContact CD1-CH2 4.27Å; L420-W486 HydrophobicContact CD1-CZ3 3.92Å; L420-W486 HydrophobicContact CD2-CH2 4.09Å; L420-W486 HydrophobicContact CD2-CZ3 4.15Å; L420-R487 HydrophobicContact CD1-CG 4.2Å; L420-R487 HydrophobicContact CD2-CG 4.41Å; L420-V490 HydrophobicContact CD2-CB 3.89Å; L420-V490 HydrophobicContact CD2-CG1 3.63Å
421	E	90.4	Very high	86.3	Confident	94 Å²	94	54 Å²	54	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-39.3	176.1	-71.4	167.9	179.9	0	0	111.4	I403 R407 T417 V418 S423	I403-E421 HydrophobicContact CD1-CG 3.61Å; R407-E421 IonicContact NH2-OE1 2.75Å; T417-E421 WeakPolarHBondContact O-CG 3.42Å; T417-E421 PolarHBondContact O-N 2.93Å; V418-E421 PolarHBondContact O-N 2.88Å; V418-E421 VanDerWaalsContact O-N 3.16Å; E421-S423 VanDerWaalsContact C-N 3.26Å; E421-S423 PolarHBondContact O-N 3.25Å
422	D	92.6	Very high	87.8	Confident	65 Å²	65	46.7 Å²	46.7	35%	0.348	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.9	178.4	-79.2	-16.6	0	0	0	114.6	V418 L420 V424 E425 T426	V418-D422 PolarHBondContact O-N 3.42Å; L420-D422 VanDerWaalsContact C-N 3.29Å; L420-D422 PolarHBondContact O-N 3.11Å; D422-V424 PolarHBondContact O-N 3.18Å; D422-E425 PolarHBondContact O-N 3.46Å; D422-T426 WeakPolarHBondContact O-CB 3.49Å; D422-T426 PolarHBondContact O-N 2.98Å; D422-T426 PolarHBondContact O-OG1 2.89Å
423	S	95.1	Very high	89.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67	-36.1	-175.2	-66.3	0	0	0	0	112.6	T419 L420 E421 T426 L427 V490	T419-S423 PolarHBondContact O-N 3.01Å; T419-S423 PolarHBondContact O-OG 3.47Å; L420-S423 VanDerWaalsContact O-CB 3.22Å; L420-S423 WeakPolarHBondContact O-CB 3.43Å; L420-S423 PolarHBondContact O-N 2.9Å; L420-S423 VanDerWaalsContact O-N 3.15Å; L420-S423 PolarHBondContact O-OG 2.89Å; E421-S423 VanDerWaalsContact C-N 3.26Å; E421-S423 PolarHBondContact O-N 3.25Å; S423-T426 PolarHBondContact O-N 3.04Å; S423-L427 WeakPolarHBondContact O-CB 3.44Å; S423-L427 PolarHBondContact O-N 2.96Å; S423-V490 WeakPolarHBondContact OG-CG1 3.36Å
424	V	94.7	Very high	90.4	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-69.6	-38.5	176.9	174.1	0	0	0	0	111.3	I392 M395 N396 I399 D422 T426 L427 K428 L471	I392-V424 HydrophobicContact CG2-CG1 4.01Å; M395-V424 HydrophobicContact CB-CG2 3.96Å; M395-V424 HydrophobicContact CE-CG1 4.24Å; N396-V424 VanDerWaalsContact OD1-CG2 3.31Å; N396-V424 WeakPolarHBondContact OD1-CG2 3.4Å; I399-V424 HydrophobicContact CD1-CG2 3.43Å; I399-V424 VanDerWaalsContact CD1-CG2 3.43Å; D422-V424 PolarHBondContact O-N 3.18Å; V424-T426 VanDerWaalsContact C-N 3.35Å; V424-L427 PolarHBondContact O-N 3.45Å; V424-K428 HydrophobicContact CG1-CD 4.28Å; V424-K428 WeakPolarHBondContact O-CG 3.49Å; V424-K428 PolarHBondContact O-N 3.48Å; V424-L471 HydrophobicContact CG2-CD1 4.01Å
425	E	93.4	Very high	91.6	Very high	66 Å²	66	30 Å²	30	31%	0.308	15%	0.146	S	C	.	.	H	α-helix	trans	-68.6	-38.1	176.2	-170.2	55.6	-146.9	0	0	111.4	D422 K428 R429	D422-E425 PolarHBondContact O-N 3.46Å; E425-K428 PolarHBondContact O-N 3.36Å; E425-K428 IonicContact OE1-NZ 3.57Å; E425-K428 IonicContact OE2-NZ 3.56Å; E425-K428 PolarHBondContact OE2-NZ 3Å; E425-R429 WeakPolarHBondContact O-CB 2.99Å; E425-R429 PolarHBondContact O-N 3.46Å
426	T	95.3	Very high	92.8	Very high	10 Å²	10	27.5 Å²	27.5	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-46.5	173.7	-54.7	0	0	0	0	111.3	D422 S423 V424 R429 C430 R494 L498	D422-T426 WeakPolarHBondContact O-CB 3.49Å; D422-T426 PolarHBondContact O-N 2.98Å; D422-T426 PolarHBondContact O-OG1 2.89Å; S423-T426 PolarHBondContact O-N 3.04Å; V424-T426 VanDerWaalsContact C-N 3.35Å; T426-R429 PolarHBondContact O-N 3.46Å; T426-C430 PolarHBondContact O-N 3.39Å; T426-C430 PolarHBondContact O-SG 3.07Å; T426-C430 VanDerWaalsContact O-SG 3.41Å; T426-R494 HydrophobicContact CG2-CG 3.65Å; T426-R494 PolarHBondContact OG1-NE 3.02Å; T426-R494 PolarHBondContact OG1-NH2 3.26Å; T426-L498 HydrophobicContact CG2-CD1 4.12Å; T426-L498 HydrophobicContact CG2-CD2 3.69Å; T426-L498 HydrophobicContact CG2-CG 3.68Å
427	L	96.4	Very high	93.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-49.9	175.9	177.6	64.6	0	0	0	111.6	L387 M395 S423 V424 R429 C430 M431 C464 L467 L468 L471	L387-L427 HydrophobicContact CD1-CD2 4.06Å; L387-L427 HydrophobicContact CD1-CG 4.31Å; M395-L427 HydrophobicContact CE-CD2 4.45Å; M395-L427 HydrophobicContact SD-CD2 4.27Å; S423-L427 WeakPolarHBondContact O-CB 3.44Å; S423-L427 PolarHBondContact O-N 2.96Å; V424-L427 PolarHBondContact O-N 3.45Å; L427-R429 VanDerWaalsContact C-N 3.29Å; L427-R429 PolarHBondContact O-N 3.19Å; L427-C430 PolarHBondContact O-N 3.49Å; L427-M431 HydrophobicContact CD1-CG 3.92Å; L427-M431 HydrophobicContact CD1-SD 3.83Å; L427-M431 HydrophobicContact CD2-SD 4.36Å; L427-M431 HydrophobicContact CG-CG 4.3Å; L427-M431 HydrophobicContact CG-SD 3.84Å; L427-M431 WeakPolarHBondContact O-CB 3.25Å; L427-M431 WeakPolarHBondContact O-CG 3.34Å; L427-M431 PolarHBondContact O-N 3.1Å; L427-C464 HydrophobicContact CD1-CB 3.96Å; L427-C464 VanDerWaalsContact CD1-O 3.31Å; L427-C464 WeakPolarHBondContact CD1-O 3.35Å; L427-L467 HydrophobicContact CB-CD2 3.98Å; L427-L467 HydrophobicContact CB-CG 4.5Å; L427-L467 HydrophobicContact CD1-CB 4.36Å; L427-L467 HydrophobicContact CD1-CD2 4.26Å; L427-L467 HydrophobicContact CD1-CG 4.4Å; L427-L468 HydrophobicContact CD1-CB 4.3Å; L427-L468 HydrophobicContact CD2-CB 3.92Å; L427-L468 HydrophobicContact CD2-CD1 3.79Å; L427-L468 HydrophobicContact CD2-CG 4.42Å; L427-L471 HydrophobicContact CB-CD1 4.42Å; L427-L471 HydrophobicContact CD2-CD1 4.05Å
428	K	94.6	Very high	94.6	Very high	77 Å²	77	25.5 Å²	25.5	34%	0.335	12%	0.122	S	C	.	.	H	α-helix	trans	-55.3	-45.2	177.5	-75.4	168.1	62.4	-154.2	0	111.7	L387 I392 V424 E425 R432	L387-K428 HydrophobicContact CD1-CG 4.18Å; I392-K428 HydrophobicContact CD1-CD 4.2Å; V424-K428 HydrophobicContact CG1-CD 4.28Å; V424-K428 WeakPolarHBondContact O-CG 3.49Å; V424-K428 PolarHBondContact O-N 3.48Å; E425-K428 PolarHBondContact O-N 3.36Å; E425-K428 IonicContact OE1-NZ 3.57Å; E425-K428 IonicContact OE2-NZ 3.56Å; E425-K428 PolarHBondContact OE2-NZ 3Å; K428-R432 VanDerWaalsContact O-CB 3.27Å; K428-R432 WeakPolarHBondContact O-CB 3Å; K428-R432 PolarHBondContact O-N 2.7Å
429	R	94.9	Very high	95.2	Very high	83 Å²	83	23.4 Å²	23.4	31%	0.313	11%	0.109	S	C	.	.	H	α-helix	trans	-60.7	-50	177.7	167.6	177.4	168.8	-176.6	-7.3	111.9	E425 T426 L427 R432 T433 E501	E425-R429 WeakPolarHBondContact O-CB 2.99Å; E425-R429 PolarHBondContact O-N 3.46Å; T426-R429 PolarHBondContact O-N 3.46Å; L427-R429 VanDerWaalsContact C-N 3.29Å; L427-R429 PolarHBondContact O-N 3.19Å; R429-R432 WeakPolarHBondContact O-CB 3.41Å; R429-R432 PolarHBondContact O-N 2.76Å; R429-T433 PolarHBondContact O-N 3.11Å; R429-T433 PolarHBondContact O-OG1 3.48Å; R429-E501 WeakPolarHBondContact CG-OE1 3.36Å; R429-E501 IonicContact CZ-OE2 2.69Å; R429-E501 IonicContact NE-OE1 2.8Å; R429-E501 PolarHBondContact NE-OE1 3.22Å; R429-E501 VanDerWaalsContact NE-OE1 3.1Å; R429-E501 IonicContact NE-OE2 2.82Å; R429-E501 PolarHBondContact NE-OE2 3.42Å; R429-E501 IonicContact NH2-OE1 3.29Å; R429-E501 IonicContact NH2-OE2 3.91Å; R429-E501 PolarHBondContact NH2-OE2 2.86Å
430	C	97.3	Very high	95.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.6	-42.6	-179.1	-66.7	0	0	0	0	112.2	T426 L427 R432 T433 V434 L460 C464 C497	T426-C430 PolarHBondContact O-N 3.39Å; T426-C430 PolarHBondContact O-SG 3.07Å; T426-C430 VanDerWaalsContact O-SG 3.41Å; L427-C430 PolarHBondContact O-N 3.49Å; C430-R432 VanDerWaalsContact C-N 3.28Å; C430-R432 PolarHBondContact O-N 2.82Å; C430-T433 WeakPolarHBondContact O-CB 3.4Å; C430-T433 PolarHBondContact O-N 2.9Å; C430-T433 VanDerWaalsContact O-N 3.1Å; C430-V434 WeakPolarHBondContact O-CG2 3.38Å; C430-V434 PolarHBondContact O-N 3.48Å; C430-L460 HydrophobicContact CB-CD1 4.11Å; C430-C464 WeakPolarHBondContact CB-SG 3.49Å; C430-C497 HydrophobicContact CB-CB 4.36Å
431	M	96.8	Very high	95.9	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.044	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-36.9	175.1	-70.7	-176.4	71.5	0	0	112.1	L387 L427 V434 K435 C464	L387-M431 HydrophobicContact CD1-SD 3.66Å; L387-M431 HydrophobicContact CD2-CE 3.93Å; L387-M431 HydrophobicContact CD2-SD 3.91Å; L387-M431 HydrophobicContact CG-CE 3.94Å; L387-M431 HydrophobicContact CG-SD 3.69Å; L427-M431 HydrophobicContact CD1-CG 3.92Å; L427-M431 HydrophobicContact CD1-SD 3.83Å; L427-M431 HydrophobicContact CD2-SD 4.36Å; L427-M431 HydrophobicContact CG-CG 4.3Å; L427-M431 HydrophobicContact CG-SD 3.84Å; L427-M431 WeakPolarHBondContact O-CB 3.25Å; L427-M431 WeakPolarHBondContact O-CG 3.34Å; L427-M431 PolarHBondContact O-N 3.1Å; M431-V434 PolarHBondContact O-N 3.04Å; M431-K435 VanDerWaalsContact O-CB 3.29Å; M431-K435 WeakPolarHBondContact O-CB 3.2Å; M431-K435 PolarHBondContact O-N 3.43Å; M431-C464 HydrophobicContact CG-CB 3.97Å
432	R	96.4	Very high	96.1	Very high	17 Å²	17	18.7 Å²	18.7	6%	0.064	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-42	172.8	-178.8	-178.7	62	-149.1	0.9	112	E251 E259 W260 K428 R429 C430 V434 K435 Y436	E251-R432 IonicContact OE2-CZ 3.49Å; E251-R432 IonicContact OE2-NH1 2.7Å; E251-R432 IonicContact OE2-NH2 3.07Å; E251-R432 PolarHBondContact OE2-NH2 3.25Å; E259-R432 HydrophobicContact CG-CG 4.09Å; E259-R432 WeakPolarHBondContact OE1-CD 3.31Å; W260-R432 VanDerWaalsContact O-CD 3.25Å; W260-R432 WeakPolarHBondContact O-CD 3.39Å; K428-R432 VanDerWaalsContact O-CB 3.27Å; K428-R432 WeakPolarHBondContact O-CB 3Å; K428-R432 PolarHBondContact O-N 2.7Å; R429-R432 WeakPolarHBondContact O-CB 3.41Å; R429-R432 PolarHBondContact O-N 2.76Å; C430-R432 VanDerWaalsContact C-N 3.28Å; C430-R432 PolarHBondContact O-N 2.82Å; R432-V434 VanDerWaalsContact C-N 3.35Å; R432-V434 PolarHBondContact O-N 3.45Å; R432-K435 WeakPolarHBondContact O-CB 3.43Å; R432-K435 PolarHBondContact O-N 3.44Å; R432-Y436 HydrophobicContact CG-CD2 3.7Å; R432-Y436 HydrophobicContact CG-CE2 3.47Å; R432-Y436 VanDerWaalsContact CG-CE2 3.47Å; R432-Y436 WeakPolarHBondContact O-CD2 3.44Å; R432-Y436 PolarHBondContact O-N 3.07Å
433	T	97.7	Very high	96.2	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-61.8	-42.7	174.6	-61.1	0	0	0	0	111.3	R429 C430 Y436 T437 L460 E501 L504 L505	R429-T433 PolarHBondContact O-N 3.11Å; R429-T433 PolarHBondContact O-OG1 3.48Å; C430-T433 WeakPolarHBondContact O-CB 3.4Å; C430-T433 PolarHBondContact O-N 2.9Å; C430-T433 VanDerWaalsContact O-N 3.1Å; T433-Y436 PolarHBondContact O-N 2.94Å; T433-T437 VanDerWaalsContact O-CB 3.32Å; T433-T437 WeakPolarHBondContact O-CB 3.29Å; T433-T437 PolarHBondContact O-N 3.08Å; T433-T437 PolarHBondContact O-OG1 3.07Å; T433-L460 HydrophobicContact CG2-CD2 4.19Å; T433-E501 HydrophobicContact CG2-CG 3.89Å; T433-E501 PolarHBondContact OG1-OE1 3.24Å; T433-L504 HydrophobicContact CG2-CD2 4.11Å; T433-L505 HydrophobicContact CG2-CD1 4.42Å; T433-L505 HydrophobicContact CG2-CD2 3.69Å; T433-L505 HydrophobicContact CG2-CG 4Å
434	V	97.7	Very high	96.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.6	-51.4	172.9	175.1	0	0	0	0	110.9	Q385 C430 M431 R432 Y436 T437 I438 E457 L460 D461	Q385-V434 HydrophobicContact CG-CB 4.41Å; Q385-V434 HydrophobicContact CG-CG1 3.87Å; C430-V434 WeakPolarHBondContact O-CG2 3.38Å; C430-V434 PolarHBondContact O-N 3.48Å; M431-V434 PolarHBondContact O-N 3.04Å; R432-V434 VanDerWaalsContact C-N 3.35Å; R432-V434 PolarHBondContact O-N 3.45Å; V434-Y436 VanDerWaalsContact C-N 3.32Å; V434-Y436 PolarHBondContact O-N 3.13Å; V434-T437 PolarHBondContact O-N 2.94Å; V434-T437 VanDerWaalsContact O-N 3.09Å; V434-I438 HydrophobicContact CG1-CD1 3.94Å; V434-I438 WeakPolarHBondContact O-CG1 3.35Å; V434-I438 PolarHBondContact O-N 2.68Å; V434-E457 HydrophobicContact CG1-CG 4.09Å; V434-E457 WeakPolarHBondContact CG1-OE1 3.46Å; V434-L460 HydrophobicContact CG2-CB 4.05Å; V434-L460 HydrophobicContact CG2-CD2 3.68Å; V434-L460 HydrophobicContact CG2-CG 3.62Å; V434-D461 HydrophobicContact CG1-CB 4.02Å; V434-D461 HydrophobicContact CG2-CB 4.34Å
435	K	96.8	Very high	96.2	Very high	18 Å²	18	22.3 Å²	22.3	8%	0.078	9%	0.093	C	C	.	.	H	α-helix	trans	-48.8	-49.2	177.9	176.3	-174.4	165.4	-169.5	0	112.3	E259 Y382 Q385 M431 R432	E259-K435 IonicContact OE2-NZ 2.66Å; E259-K435 PolarHBondContact OE2-NZ 3.15Å; Y382-K435 HydrophobicContact CD2-CD 4.45Å; Y382-K435 HydrophobicContact CD2-CG 3.47Å; Y382-K435 VanDerWaalsContact CD2-CG 3.47Å; Y382-K435 HydrophobicContact CE2-CD 3.98Å; Y382-K435 HydrophobicContact CE2-CG 3.38Å; Y382-K435 HydrophobicContact CG-CG 4.32Å; Y382-K435 WeakPolarHBondContact OH-CE 3.36Å; Q385-K435 HydrophobicContact CB-CB 3.67Å; Q385-K435 HydrophobicContact CB-CG 4.31Å; Q385-K435 HydrophobicContact CG-CB 4.24Å; M431-K435 VanDerWaalsContact O-CB 3.29Å; M431-K435 WeakPolarHBondContact O-CB 3.2Å; M431-K435 PolarHBondContact O-N 3.43Å; R432-K435 WeakPolarHBondContact O-CB 3.43Å; R432-K435 PolarHBondContact O-N 3.44Å
436	Y	98	Very high	96.1	Very high	7 Å²	7	23.4 Å²	23.4	3%	0.027	11%	0.106	C	C	.	.	H	α-helix	trans	-80.7	-25.7	-178.7	-67.9	-63	0	0	0	113.5	E259 W260 H261 L264 L269 R432 T433 V434 V439 F440	E259-Y436 WeakPolarHBondContact CB-OH 3.31Å; E259-Y436 HydrophobicContact CG-CE2 4.1Å; E259-Y436 PolarHBondContact OE2-OH 2.71Å; W260-Y436 VanDerWaalsContact O-CE2 3.24Å; W260-Y436 WeakPolarHBondContact O-CE2 3.36Å; H261-Y436 HydrophobicContact CB-CD1 3.57Å; H261-Y436 HydrophobicContact CB-CD2 3.71Å; H261-Y436 HydrophobicContact CB-CE1 3.58Å; H261-Y436 HydrophobicContact CB-CE2 3.69Å; H261-Y436 HydrophobicContact CB-CG 3.62Å; L264-Y436 HydrophobicContact CD2-CD1 3.98Å; L269-Y436 HydrophobicContact CD1-CD1 4.26Å; L269-Y436 HydrophobicContact CD1-CE1 3.68Å; L269-Y436 HydrophobicContact CD2-CE1 4.15Å; R432-Y436 HydrophobicContact CG-CD2 3.7Å; R432-Y436 HydrophobicContact CG-CE2 3.47Å; R432-Y436 VanDerWaalsContact CG-CE2 3.47Å; R432-Y436 WeakPolarHBondContact O-CD2 3.44Å; R432-Y436 PolarHBondContact O-N 3.07Å; T433-Y436 PolarHBondContact O-N 2.94Å; V434-Y436 VanDerWaalsContact C-N 3.32Å; V434-Y436 PolarHBondContact O-N 3.13Å; Y436-V439 PolarHBondContact O-N 2.71Å; Y436-F440 WeakPolarHBondContact O-CB 3.42Å; Y436-F440 PolarHBondContact O-N 3.16Å
437	T	98.1	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.5	-37.9	171.1	-57.6	0	0	0	0	111.8	P263 T433 V434 V439 F440 I441 E457 L504	P263-T437 VanDerWaalsContact CD-OG1 3.31Å; P263-T437 WeakPolarHBondContact CD-OG1 3.47Å; T433-T437 VanDerWaalsContact O-CB 3.32Å; T433-T437 WeakPolarHBondContact O-CB 3.29Å; T433-T437 PolarHBondContact O-N 3.08Å; T433-T437 PolarHBondContact O-OG1 3.07Å; V434-T437 PolarHBondContact O-N 2.94Å; V434-T437 VanDerWaalsContact O-N 3.09Å; T437-V439 VanDerWaalsContact C-N 3.34Å; T437-V439 PolarHBondContact O-N 3.05Å; T437-F440 WeakPolarHBondContact O-CB 3.5Å; T437-F440 PolarHBondContact O-N 3.3Å; T437-I441 HydrophobicContact CG2-CD1 3.9Å; T437-I441 HydrophobicContact CG2-CG1 4.33Å; T437-I441 VanDerWaalsContact O-CG1 3.31Å; T437-I441 WeakPolarHBondContact O-CG1 3.45Å; T437-I441 PolarHBondContact O-N 3.2Å; T437-E457 HydrophobicContact CG2-CB 3.83Å; T437-E457 HydrophobicContact CG2-CG 3.86Å; T437-L504 HydrophobicContact CG2-CD1 4.06Å; T437-L504 HydrophobicContact CG2-CD2 4.2Å
438	I	96.6	Very high	96	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-56.2	-49.6	172.8	-70.2	159.1	0	0	0	110.3	F378 Q381 Q385 V434 F440 I441 Y442	F378-I438 HydrophobicContact CB-CG2 4.31Å; F378-I438 HydrophobicContact CD1-CG2 3.62Å; F378-I438 WeakPolarHBondContact CD1-O 3.32Å; F378-I438 HydrophobicContact CE1-CG2 4.41Å; F378-I438 VanDerWaalsContact CE1-O 3.29Å; F378-I438 WeakPolarHBondContact CE1-O 3.44Å; F378-I438 HydrophobicContact CG-CG2 4.35Å; Q381-I438 HydrophobicContact CB-CD1 3.91Å; Q381-I438 HydrophobicContact CB-CG1 4.48Å; Q381-I438 HydrophobicContact CB-CG2 4.06Å; Q385-I438 HydrophobicContact CG-CD1 3.88Å; V434-I438 HydrophobicContact CG1-CD1 3.94Å; V434-I438 WeakPolarHBondContact O-CG1 3.35Å; V434-I438 PolarHBondContact O-N 2.68Å; I438-F440 PolarHBondContact O-N 3.49Å; I438-I441 PolarHBondContact O-N 3.31Å; I438-Y442 PolarHBondContact O-N 3.1Å
439	V	96.8	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-39.9	178.7	-178.5	0	0	0	0	111.4	L264 W272 Y382 Y436 T437 I441 Y442 Y443	L264-V439 HydrophobicContact CD1-CB 4.33Å; L264-V439 HydrophobicContact CD1-CG1 3.9Å; L264-V439 HydrophobicContact CD2-CB 3.87Å; L264-V439 HydrophobicContact CD2-CG1 3.54Å; L264-V439 HydrophobicContact CG-CG1 4.39Å; W272-V439 HydrophobicContact CB-CG1 3.72Å; W272-V439 HydrophobicContact CD2-CB 4.29Å; W272-V439 HydrophobicContact CD2-CG1 3.59Å; W272-V439 HydrophobicContact CD2-CG2 3.79Å; W272-V439 HydrophobicContact CE3-CG1 3.82Å; W272-V439 HydrophobicContact CE3-CG2 4.42Å; W272-V439 HydrophobicContact CG-CB 4.45Å; W272-V439 HydrophobicContact CG-CG1 3.54Å; W272-V439 HydrophobicContact CG-CG2 3.99Å; W272-V439 HydrophobicContact CZ2-CG2 4.01Å; Y382-V439 HydrophobicContact CD2-CG2 3.43Å; Y382-V439 VanDerWaalsContact CD2-CG2 3.43Å; Y382-V439 HydrophobicContact CE2-CG2 3.81Å; Y382-V439 HydrophobicContact CG-CG2 4.35Å; Y436-V439 PolarHBondContact O-N 2.71Å; T437-V439 VanDerWaalsContact C-N 3.34Å; T437-V439 PolarHBondContact O-N 3.05Å; V439-I441 PolarHBondContact O-N 2.93Å; V439-Y442 WeakPolarHBondContact O-CB 3.44Å; V439-Y442 PolarHBondContact O-N 2.8Å; V439-Y443 HydrophobicContact CG1-CD2 4.11Å; V439-Y443 HydrophobicContact CG1-CE2 3.8Å; V439-Y443 VanDerWaalsContact O-CD2 3.27Å; V439-Y443 WeakPolarHBondContact O-CD2 3.44Å; V439-Y443 PolarHBondContact O-N 3.01Å
440	F	97.2	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-50.5	174.6	169.3	-114.4	0	0	0	111	P263 L264 Y436 T437 I438 Y442 Y443 L444 Y512 W517 F519	P263-F440 HydrophobicContact CG-CB 4.27Å; P263-F440 HydrophobicContact CG-CD1 3.96Å; P263-F440 HydrophobicContact CG-CG 4.13Å; L264-F440 HydrophobicContact CD1-CB 4.05Å; Y436-F440 WeakPolarHBondContact O-CB 3.42Å; Y436-F440 PolarHBondContact O-N 3.16Å; T437-F440 WeakPolarHBondContact O-CB 3.5Å; T437-F440 PolarHBondContact O-N 3.3Å; I438-F440 PolarHBondContact O-N 3.49Å; F440-Y442 VanDerWaalsContact C-N 3.3Å; F440-Y442 PolarHBondContact O-N 2.98Å; F440-Y443 PolarHBondContact O-N 3.05Å; F440-L444 HydrophobicContact CD1-CD1 3.95Å; F440-L444 HydrophobicContact CD2-CD1 4.34Å; F440-L444 HydrophobicContact CE1-CD1 3.56Å; F440-L444 HydrophobicContact CE2-CD1 3.99Å; F440-L444 HydrophobicContact CE2-CD2 4.12Å; F440-L444 HydrophobicContact CE2-CG 4.34Å; F440-L444 HydrophobicContact CG-CD1 4.33Å; F440-L444 HydrophobicContact CZ-CD1 3.59Å; F440-L444 HydrophobicContact CZ-CD2 4.3Å; F440-L444 HydrophobicContact CZ-CG 4.4Å; F440-L444 WeakPolarHBondContact O-CG 3.43Å; F440-L444 PolarHBondContact O-N 3.19Å; F440-Y512 HydrophobicContact CE2-CE2 4.05Å; F440-Y512 AromaticContact CE2-CZ 3.84Å; F440-Y512 WeakPolarHBondContact CE2-OH 3.21Å; F440-Y512 HydrophobicContact CZ-CE2 4.36Å; F440-W517 HydrophobicContact CE1-CD2 4.38Å; F440-W517 HydrophobicContact CE1-CZ2 4.43Å; F440-W517 HydrophobicContact CE2-CG 4.31Å; F440-W517 AromaticContact CZ-CD1 3.86Å; F440-W517 AromaticContact CZ-CD2 3.62Å; F440-W517 HydrophobicContact CZ-CD2 3.62Å; F440-W517 AromaticContact CZ-CE2 3.66Å; F440-W517 HydrophobicContact CZ-CE3 4.1Å; F440-W517 AromaticContact CZ-CG 3.83Å; F440-W517 HydrophobicContact CZ-CG 3.83Å; F440-W517 HydrophobicContact CZ-CZ2 4.27Å; F440-W517 AromaticContact CZ-NE1 3.73Å; F440-F519 HydrophobicContact CD2-CE1 4.43Å; F440-F519 HydrophobicContact CE2-CE1 4.27Å; F440-F519 HydrophobicContact CE2-CZ 4.18Å
441	I	96.7	Very high	96.2	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-37	177.3	-67.9	168	0	0	0	111.9	F378 T437 I438 V439 Y443 L444 V450 K454 E457	F378-I441 HydrophobicContact CE1-CB 4.09Å; F378-I441 HydrophobicContact CE1-CG2 3.81Å; F378-I441 HydrophobicContact CZ-CG2 3.95Å; T437-I441 HydrophobicContact CG2-CD1 3.9Å; T437-I441 HydrophobicContact CG2-CG1 4.33Å; T437-I441 VanDerWaalsContact O-CG1 3.31Å; T437-I441 WeakPolarHBondContact O-CG1 3.45Å; T437-I441 PolarHBondContact O-N 3.2Å; I438-I441 PolarHBondContact O-N 3.31Å; V439-I441 PolarHBondContact O-N 2.93Å; I441-Y443 VanDerWaalsContact C-N 3.27Å; I441-Y443 PolarHBondContact O-N 3Å; I441-L444 PolarHBondContact O-N 2.81Å; I441-L444 VanDerWaalsContact O-N 3.14Å; I441-V450 HydrophobicContact CG2-CG1 4.06Å; I441-K454 HydrophobicContact CD1-CB 4.05Å; I441-K454 HydrophobicContact CD1-CD 4.11Å; I441-E457 HydrophobicContact CD1-CB 4.43Å
442	Y	94.9	Very high	96.2	Very high	23 Å²	23	38.2 Å²	38.2	9%	0.09	18%	0.177	C	C	.	.	H	α-helix	trans	-54	-44.3	178	167.5	-97.4	0	0	0	111.9	W272 K275 R374 F375 F378 I438 V439 F440	W272-Y442 AromaticContact CE3-CD1 3.83Å; W272-Y442 HydrophobicContact CE3-CD1 3.83Å; W272-Y442 HydrophobicContact CE3-CE1 4.13Å; W272-Y442 HydrophobicContact CE3-CG 4.29Å; W272-Y442 HydrophobicContact CH2-CG 4.48Å; W272-Y442 AromaticContact CZ3-CD1 3.56Å; W272-Y442 HydrophobicContact CZ3-CD1 3.56Å; W272-Y442 AromaticContact CZ3-CD2 3.96Å; W272-Y442 HydrophobicContact CZ3-CD2 3.96Å; W272-Y442 AromaticContact CZ3-CE1 3.92Å; W272-Y442 HydrophobicContact CZ3-CE1 3.92Å; W272-Y442 HydrophobicContact CZ3-CE2 4.29Å; W272-Y442 AromaticContact CZ3-CG 3.6Å; W272-Y442 HydrophobicContact CZ3-CG 3.6Å; K275-Y442 PolarHBondContact NZ-OH 3.2Å; R374-Y442 HydrophobicContact CG-CD2 4.24Å; R374-Y442 HydrophobicContact CG-CE2 4.25Å; R374-Y442 PolarHBondContact NH2-O 3.32Å; F375-Y442 HydrophobicContact CB-CE2 4.01Å; F375-Y442 HydrophobicContact CD2-CE2 4.29Å; F378-Y442 HydrophobicContact CB-CD2 4.1Å; F378-Y442 VanDerWaalsContact CD1-CB 3.48Å; F378-Y442 HydrophobicContact CD1-CD2 4.39Å; F378-Y442 HydrophobicContact CD1-CG 4.41Å; F378-Y442 HydrophobicContact CD2-CD2 4.29Å; F378-Y442 HydrophobicContact CG-CD2 4Å; F378-Y442 HydrophobicContact CG-CG 4.44Å; I438-Y442 PolarHBondContact O-N 3.1Å; V439-Y442 WeakPolarHBondContact O-CB 3.44Å; V439-Y442 PolarHBondContact O-N 2.8Å; F440-Y442 VanDerWaalsContact C-N 3.3Å; F440-Y442 PolarHBondContact O-N 2.98Å
443	Y	95.4	Very high	96.2	Very high	19 Å²	19	37.4 Å²	37.4	8%	0.075	17%	0.174	C	C	.	.	H	α-helix	trans	-79.9	-12.7	-177.9	-73.8	-72.8	0	0	0	114.4	L268 Q271 W272 V439 F440 I441 F519 M520	L268-Y443 HydrophobicContact CB-CD2 4.05Å; L268-Y443 HydrophobicContact CB-CE2 4.13Å; L268-Y443 HydrophobicContact CD2-CD1 4.14Å; L268-Y443 HydrophobicContact CD2-CD2 4.16Å; L268-Y443 HydrophobicContact CD2-CG 3.96Å; L268-Y443 HydrophobicContact CG-CD2 4.48Å; Q271-Y443 VanDerWaalsContact CB-OH 3.3Å; Q271-Y443 WeakPolarHBondContact CB-OH 3.02Å; W272-Y443 WeakPolarHBondContact CA-OH 3.37Å; W272-Y443 HydrophobicContact CB-CE2 4.22Å; W272-Y443 HydrophobicContact CE3-CE2 4.22Å; W272-Y443 PolarHBondContact N-OH 3.16Å; W272-Y443 VanDerWaalsContact N-OH 3.11Å; V439-Y443 HydrophobicContact CG1-CD2 4.11Å; V439-Y443 HydrophobicContact CG1-CE2 3.8Å; V439-Y443 VanDerWaalsContact O-CD2 3.27Å; V439-Y443 WeakPolarHBondContact O-CD2 3.44Å; V439-Y443 PolarHBondContact O-N 3.01Å; F440-Y443 PolarHBondContact O-N 3.05Å; I441-Y443 VanDerWaalsContact C-N 3.27Å; I441-Y443 PolarHBondContact O-N 3Å; Y443-F519 CarbonylContact O-C 3.56Å; Y443-F519 WeakPolarHBondContact O-CA 3.45Å; Y443-M520 PolarHBondContact O-N 2.84Å
444	L	95.3	Very high	96.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-80.8	141.7	-178.4	-64.9	169.7	0	0	0	112.6	R374 F440 I441 V450 W517 F519	R374-L444 PolarHBondContact NH2-O 2.85Å; F440-L444 HydrophobicContact CD1-CD1 3.95Å; F440-L444 HydrophobicContact CD2-CD1 4.34Å; F440-L444 HydrophobicContact CE1-CD1 3.56Å; F440-L444 HydrophobicContact CE2-CD1 3.99Å; F440-L444 HydrophobicContact CE2-CD2 4.12Å; F440-L444 HydrophobicContact CE2-CG 4.34Å; F440-L444 HydrophobicContact CG-CD1 4.33Å; F440-L444 HydrophobicContact CZ-CD1 3.59Å; F440-L444 HydrophobicContact CZ-CD2 4.3Å; F440-L444 HydrophobicContact CZ-CG 4.4Å; F440-L444 WeakPolarHBondContact O-CG 3.43Å; F440-L444 PolarHBondContact O-N 3.19Å; I441-L444 PolarHBondContact O-N 2.81Å; I441-L444 VanDerWaalsContact O-N 3.14Å; L444-V450 HydrophobicContact CB-CG1 4.34Å; L444-V450 HydrophobicContact CB-CG2 3.62Å; L444-V450 HydrophobicContact CD1-CG2 3.83Å; L444-V450 HydrophobicContact CG-CG2 4.29Å; L444-W517 HydrophobicContact CD1-CD2 4.46Å; L444-W517 HydrophobicContact CD1-CE3 3.81Å; L444-W517 HydrophobicContact CD1-CZ3 4.22Å; L444-W517 HydrophobicContact CD2-CB 3.75Å; L444-W517 HydrophobicContact CD2-CD2 4.49Å; L444-W517 HydrophobicContact CD2-CE3 4.23Å; L444-W517 HydrophobicContact CD2-CG 4.31Å; L444-F519 HydrophobicContact CD2-CD1 3.91Å; L444-F519 HydrophobicContact CD2-CE1 3.66Å; L444-F519 HydrophobicContact CD2-CG 4.45Å; L444-F519 HydrophobicContact CD2-CZ 4.02Å; L444-F519 HydrophobicContact CG-CE1 4.49Å
445	R	93.8	Very high	96.1	Very high	126 Å²	126	41.3 Å²	41.3	48%	0.475	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-68.8	128.4	166.8	-177.5	178	-73.2	153.8	-1.4	108.7	N447 V450 K518 M520	R445-N447 PolarHBondContact O-N 3.15Å; R445-V450 WeakPolarHBondContact O-CG2 2.98Å; R445-K518 HydrophobicContact CB-CB 4.27Å; R445-K518 WeakPolarHBondContact CB-O 3.44Å; R445-K518 PolarHBondContact N-O 2.91Å; R445-M520 HydrophobicContact CB-SD 4.17Å; R445-M520 HydrophobicContact CG-SD 4.39Å
446	P	92.4	Very high	96.1	Very high	90 Å²	90	42.2 Å²	42.2	58%	0.584	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-53.6	127.9	-180	-26.5	34.4	0	0	0	112.6
447	N	93.3	Very high	96.1	Very high	46 Å²	46	42 Å²	42	25%	0.246	20%	0.203	C	C	.	.			trans	-156.5	-178.2	171.8	67.2	38.7	0	0	0	109.8	R445 W449 V450 R451	R445-N447 PolarHBondContact O-N 3.15Å; N447-W449 PolarHBondContact O-N 2.76Å; N447-W449 WeakPolarHBondContact OD1-CA 3.08Å; N447-W449 WeakPolarHBondContact OD1-CB 3.48Å; N447-W449 PolarHBondContact OD1-N 2.9Å; N447-V450 PolarHBondContact O-N 3.32Å; N447-V450 WeakPolarHBondContact OD1-CG2 3.45Å; N447-V450 PolarHBondContact OD1-N 2.89Å; N447-R451 PolarHBondContact O-N 3.36Å
448	V	96.1	Very high	96	Very high	82 Å²	82	45.4 Å²	45.4	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-44	179.5	-179.6	0	0	0	0	111.7	V450 R451 L452	V448-V450 VanDerWaalsContact C-N 3.34Å; V448-V450 PolarHBondContact O-N 3.19Å; V448-R451 WeakPolarHBondContact O-CB 3.18Å; V448-R451 PolarHBondContact O-N 3.31Å; V448-L452 HydrophobicContact CG1-CD1 4.32Å; V448-L452 PolarHBondContact O-N 2.66Å
449	W	96.5	Very high	96	Very high	91 Å²	91	52.6 Å²	52.6	35%	0.345	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-37	-179.6	-54.4	109.4	0	0	0	112.9	N447 L452 A453 F507 R516 W517	N447-W449 PolarHBondContact O-N 2.76Å; N447-W449 WeakPolarHBondContact OD1-CA 3.08Å; N447-W449 WeakPolarHBondContact OD1-CB 3.48Å; N447-W449 PolarHBondContact OD1-N 2.9Å; W449-L452 HydrophobicContact CE3-CD1 4.03Å; W449-L452 HydrophobicContact CZ3-CD1 4.26Å; W449-L452 PolarHBondContact O-N 3.35Å; W449-A453 WeakPolarHBondContact O-CB 3.33Å; W449-A453 PolarHBondContact O-N 2.96Å; W449-F507 HydrophobicContact CE3-CE2 4.24Å; W449-F507 AromaticContact CE3-CZ 3.98Å; W449-F507 HydrophobicContact CE3-CZ 3.98Å; W449-F507 HydrophobicContact CZ3-CE2 4.47Å; W449-R516 HydrophobicContact CD2-CG 4.38Å; W449-R516 HydrophobicContact CG-CB 4.12Å; W449-R516 HydrophobicContact CG-CG 4.43Å; W449-R516 VanDerWaalsContact CZ3-CZ 3.5Å; W449-W517 HydrophobicContact CB-CH2 4.09Å; W449-W517 HydrophobicContact CB-CZ3 3.7Å
450	V	96.3	Very high	96	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-39.7	175.2	177.6	0	0	0	0	111.1	I441 L444 R445 N447 V448 L452 A453 K454 W517	I441-V450 HydrophobicContact CG2-CG1 4.06Å; L444-V450 HydrophobicContact CB-CG1 4.34Å; L444-V450 HydrophobicContact CB-CG2 3.62Å; L444-V450 HydrophobicContact CD1-CG2 3.83Å; L444-V450 HydrophobicContact CG-CG2 4.29Å; R445-V450 WeakPolarHBondContact O-CG2 2.98Å; N447-V450 PolarHBondContact O-N 3.32Å; N447-V450 WeakPolarHBondContact OD1-CG2 3.45Å; N447-V450 PolarHBondContact OD1-N 2.89Å; V448-V450 VanDerWaalsContact C-N 3.34Å; V448-V450 PolarHBondContact O-N 3.19Å; V450-L452 VanDerWaalsContact C-N 3.35Å; V450-A453 PolarHBondContact O-N 3.48Å; V450-K454 WeakPolarHBondContact O-CB 3.36Å; V450-K454 PolarHBondContact O-N 3.29Å; V450-W517 HydrophobicContact CG2-CZ3 4.41Å
451	R	96.4	Very high	95.9	Very high	178 Å²	178	53.6 Å²	53.6	67%	0.672	25%	0.253	S	S	*	.	H	α-helix	trans	-64.1	-40.2	174.8	-72.7	-171.9	-73.5	156.7	-4.7	111.9	N447 V448 K454 G455	N447-R451 PolarHBondContact O-N 3.36Å; V448-R451 WeakPolarHBondContact O-CB 3.18Å; V448-R451 PolarHBondContact O-N 3.31Å; R451-K454 PolarHBondContact O-N 3.32Å; R451-G455 PolarHBondContact O-N 3.32Å
452	L	96.9	Very high	95.9	Very high	80 Å²	80	56.9 Å²	56.9	42%	0.419	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-44	174.7	-69.2	173.5	0	0	0	111.9	V448 W449 V450 K454 G455 H456 F507	V448-L452 HydrophobicContact CG1-CD1 4.32Å; V448-L452 PolarHBondContact O-N 2.66Å; W449-L452 HydrophobicContact CE3-CD1 4.03Å; W449-L452 HydrophobicContact CZ3-CD1 4.26Å; W449-L452 PolarHBondContact O-N 3.35Å; V450-L452 VanDerWaalsContact C-N 3.35Å; L452-K454 VanDerWaalsContact C-N 3.29Å; L452-K454 PolarHBondContact O-N 3.27Å; L452-G455 PolarHBondContact O-N 3.26Å; L452-G455 VanDerWaalsContact O-N 3.12Å; L452-H456 PolarHBondContact O-CD2 3.46Å; L452-H456 PolarHBondContact O-N 3.13Å; L452-F507 HydrophobicContact CB-CE1 4.07Å; L452-F507 HydrophobicContact CB-CE2 4.26Å; L452-F507 HydrophobicContact CB-CZ 3.5Å; L452-F507 VanDerWaalsContact CB-CZ 3.5Å; L452-F507 HydrophobicContact CD1-CE2 4.41Å; L452-F507 HydrophobicContact CD1-CZ 4.13Å; L452-F507 HydrophobicContact CG-CZ 4.48Å
453	A	96.8	Very high	96	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-43.2	174.7	0	0	0	0	0	111.4	W449 V450 H456 E457 F507 W517	W449-A453 WeakPolarHBondContact O-CB 3.33Å; W449-A453 PolarHBondContact O-N 2.96Å; V450-A453 PolarHBondContact O-N 3.48Å; A453-H456 PolarHBondContact O-N 3Å; A453-E457 WeakPolarHBondContact O-CB 3.33Å; A453-E457 PolarHBondContact O-N 2.98Å; A453-F507 HydrophobicContact CB-CD1 4.3Å; A453-F507 HydrophobicContact CB-CE1 3.9Å; A453-W517 HydrophobicContact CB-CH2 4.22Å
454	K	96.2	Very high	96	Very high	56 Å²	56	55.5 Å²	55.5	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-44.3	174.5	-177.3	50.3	173.5	157.6	0	111.8	I441 V450 R451 L452 H456 E457 D458	I441-K454 HydrophobicContact CD1-CB 4.05Å; I441-K454 HydrophobicContact CD1-CD 4.11Å; V450-K454 WeakPolarHBondContact O-CB 3.36Å; V450-K454 PolarHBondContact O-N 3.29Å; R451-K454 PolarHBondContact O-N 3.32Å; L452-K454 VanDerWaalsContact C-N 3.29Å; L452-K454 PolarHBondContact O-N 3.27Å; K454-H456 VanDerWaalsContact C-N 3.33Å; K454-H456 PolarHBondContact O-N 3.49Å; K454-E457 WeakPolarHBondContact CD-OE2 3.44Å; K454-E457 WeakPolarHBondContact CE-OE2 3.28Å; K454-E457 IonicContact NZ-OE1 2.8Å; K454-E457 IonicContact NZ-OE2 2.78Å; K454-E457 PolarHBondContact NZ-OE2 3.31Å; K454-E457 PolarHBondContact O-N 3.29Å; K454-D458 WeakPolarHBondContact CE-OD1 3.02Å; K454-D458 IonicContact NZ-OD1 3.05Å; K454-D458 PolarHBondContact NZ-OD1 2.65Å; K454-D458 WeakPolarHBondContact O-CB 3.21Å; K454-D458 VanDerWaalsContact O-CG 3.26Å; K454-D458 PolarHBondContact O-N 3.23Å
455	G	96.9	Very high	95.9	Very high	30 Å²	30	59.8 Å²	59.8	31%	0.309	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-37.6	175	0	0	0	0	0	113.8	R451 L452 R459	R451-G455 PolarHBondContact O-N 3.32Å; L452-G455 PolarHBondContact O-N 3.26Å; L452-G455 VanDerWaalsContact O-N 3.12Å; G455-R459 VanDerWaalsContact O-CG 3.3Å; G455-R459 WeakPolarHBondContact O-CG 3.49Å; G455-R459 PolarHBondContact O-N 2.86Å
456	H	97.4	Very high	96	Very high	36 Å²	36	59 Å²	59	17%	0.167	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-41.8	173.1	-77.4	-73.4	0	0	0	112.3	L452 A453 K454 R459 L460 L504 F507	L452-H456 PolarHBondContact O-CD2 3.46Å; L452-H456 PolarHBondContact O-N 3.13Å; A453-H456 PolarHBondContact O-N 3Å; K454-H456 VanDerWaalsContact C-N 3.33Å; K454-H456 PolarHBondContact O-N 3.49Å; H456-R459 PolarHBondContact O-N 3.07Å; H456-L460 PolarHBondContact O-N 3.05Å; H456-L460 VanDerWaalsContact O-N 3.1Å; H456-L504 HydrophobicContact CB-CB 4.26Å; H456-L504 HydrophobicContact CB-CD1 3.63Å; H456-L504 HydrophobicContact CB-CG 4.48Å; H456-F507 AromaticContact NE2-CD2 3.98Å
457	E	97.5	Very high	96.1	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-47.8	176.3	-176.8	-100.5	131.7	0	0	111.9	V434 T437 I441 A453 K454 R459 L460 D461 L504	V434-E457 HydrophobicContact CG1-CG 4.09Å; V434-E457 WeakPolarHBondContact CG1-OE1 3.46Å; T437-E457 HydrophobicContact CG2-CB 3.83Å; T437-E457 HydrophobicContact CG2-CG 3.86Å; I441-E457 HydrophobicContact CD1-CB 4.43Å; A453-E457 WeakPolarHBondContact O-CB 3.33Å; A453-E457 PolarHBondContact O-N 2.98Å; K454-E457 WeakPolarHBondContact CD-OE2 3.44Å; K454-E457 WeakPolarHBondContact CE-OE2 3.28Å; K454-E457 IonicContact NZ-OE1 2.8Å; K454-E457 IonicContact NZ-OE2 2.78Å; K454-E457 PolarHBondContact NZ-OE2 3.31Å; K454-E457 PolarHBondContact O-N 3.29Å; E457-R459 VanDerWaalsContact C-N 3.27Å; E457-R459 PolarHBondContact O-N 2.55Å; E457-L460 PolarHBondContact O-N 3.03Å; E457-L460 VanDerWaalsContact O-N 3.08Å; E457-D461 WeakPolarHBondContact O-CB 3.42Å; E457-D461 PolarHBondContact O-N 2.74Å; E457-L504 HydrophobicContact CB-CD2 4.46Å
458	D	95.9	Very high	96.1	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-58.3	-39.8	177.8	-70.4	-30	0	0	0	111.6	K454 E462	K454-D458 WeakPolarHBondContact CE-OD1 3.02Å; K454-D458 IonicContact NZ-OD1 3.05Å; K454-D458 PolarHBondContact NZ-OD1 2.65Å; K454-D458 WeakPolarHBondContact O-CB 3.21Å; K454-D458 VanDerWaalsContact O-CG 3.26Å; K454-D458 PolarHBondContact O-N 3.23Å; D458-E462 WeakPolarHBondContact O-CB 3.32Å; D458-E462 PolarHBondContact O-N 3.28Å
459	R	96.9	Very high	95.9	Very high	153 Å²	153	52.9 Å²	52.9	58%	0.577	24%	0.24	S	C	*	.	H	α-helix	trans	-65.3	-42.1	175.5	-74.9	175.7	178.6	-174.5	-1.2	112.2	G455 H456 E457 N463 F500	G455-R459 VanDerWaalsContact O-CG 3.3Å; G455-R459 WeakPolarHBondContact O-CG 3.49Å; G455-R459 PolarHBondContact O-N 2.86Å; H456-R459 PolarHBondContact O-N 3.07Å; E457-R459 VanDerWaalsContact C-N 3.27Å; E457-R459 PolarHBondContact O-N 2.55Å; R459-N463 VanDerWaalsContact O-CG 3.32Å; R459-N463 PolarHBondContact O-N 2.99Å; R459-N463 PolarHBondContact O-ND2 3.32Å; R459-F500 HydrophobicContact CB-CD1 4.13Å; R459-F500 HydrophobicContact CB-CE1 4.21Å
460	L	97.6	Very high	95.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-43.4	177.3	-179.4	59.1	0	0	0	111.3	C430 T433 V434 H456 E457 E462 N463 C464 C497 F500 E501 L504	C430-L460 HydrophobicContact CB-CD1 4.11Å; T433-L460 HydrophobicContact CG2-CD2 4.19Å; V434-L460 HydrophobicContact CG2-CB 4.05Å; V434-L460 HydrophobicContact CG2-CD2 3.68Å; V434-L460 HydrophobicContact CG2-CG 3.62Å; H456-L460 PolarHBondContact O-N 3.05Å; H456-L460 VanDerWaalsContact O-N 3.1Å; E457-L460 PolarHBondContact O-N 3.03Å; E457-L460 VanDerWaalsContact O-N 3.08Å; L460-E462 VanDerWaalsContact C-N 3.33Å; L460-E462 PolarHBondContact O-N 3.44Å; L460-N463 PolarHBondContact O-N 3.46Å; L460-C464 PolarHBondContact O-N 3.45Å; L460-C464 PolarHBondContact O-SG 3.17Å; L460-C497 VanDerWaalsContact CD1-O 3.32Å; L460-C497 WeakPolarHBondContact CD1-O 3.46Å; L460-F500 HydrophobicContact CB-CB 4.42Å; L460-F500 HydrophobicContact CD1-CB 4.03Å; L460-E501 HydrophobicContact CD1-CB 4.2Å; L460-E501 HydrophobicContact CD2-CB 4.12Å; L460-E501 HydrophobicContact CD2-CG 4.35Å; L460-L504 HydrophobicContact CD2-CD2 3.83Å
461	D	95.7	Very high	95.6	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.107	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-44	176.2	-177.6	46.8	0	0	0	111.4	Q385 V434 E457 N463 C464 K465	Q385-D461 PolarHBondContact NE2-OD1 3.09Å; V434-D461 HydrophobicContact CG1-CB 4.02Å; V434-D461 HydrophobicContact CG2-CB 4.34Å; E457-D461 WeakPolarHBondContact O-CB 3.42Å; E457-D461 PolarHBondContact O-N 2.74Å; D461-N463 PolarHBondContact O-N 3.05Å; D461-C464 WeakPolarHBondContact O-CB 3.44Å; D461-C464 PolarHBondContact O-N 3.13Å; D461-K465 WeakPolarHBondContact O-CG 3.47Å; D461-K465 PolarHBondContact O-N 3.48Å; D461-K465 WeakPolarHBondContact OD2-CE 3.47Å; D461-K465 IonicContact OD2-NZ 2.71Å; D461-K465 PolarHBondContact OD2-NZ 3.06Å
462	E	95.2	Very high	95.3	Very high	77 Å²	77	44.2 Å²	44.2	36%	0.36	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-43.2	175.8	-178.8	59.5	-163.3	0	0	112.8	D458 L460 C464 K465 R466	D458-E462 WeakPolarHBondContact O-CB 3.32Å; D458-E462 PolarHBondContact O-N 3.28Å; L460-E462 VanDerWaalsContact C-N 3.33Å; L460-E462 PolarHBondContact O-N 3.44Å; E462-C464 VanDerWaalsContact C-N 3.34Å; E462-K465 PolarHBondContact O-N 3.34Å; E462-R466 WeakPolarHBondContact O-CG 3.29Å; E462-R466 PolarHBondContact O-N 3.49Å; E462-R466 VanDerWaalsContact O-N 3.14Å; E462-R466 IonicContact OE1-CZ 3.85Å; E462-R466 IonicContact OE1-NE 3.36Å; E462-R466 PolarHBondContact OE1-NE 2.85Å; E462-R466 VanDerWaalsContact OE1-NE 3.14Å; E462-R466 IonicContact OE1-NH2 3.89Å; E462-R466 PolarHBondContact OE1-NH2 3.44Å; E462-R466 VanDerWaalsContact OE1-NH2 3.1Å
463	N	96.6	Very high	94.9	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-38.6	174.7	-64.4	-41.1	0	0	0	111.7	R459 L460 D461 K465 R466 L467 C497 F500	R459-N463 VanDerWaalsContact O-CG 3.32Å; R459-N463 PolarHBondContact O-N 2.99Å; R459-N463 PolarHBondContact O-ND2 3.32Å; L460-N463 PolarHBondContact O-N 3.46Å; D461-N463 PolarHBondContact O-N 3.05Å; N463-K465 VanDerWaalsContact C-N 3.31Å; N463-K465 PolarHBondContact O-N 3.45Å; N463-R466 PolarHBondContact O-N 3.38Å; N463-L467 PolarHBondContact O-N 3.09Å; N463-C497 VanDerWaalsContact C-SG 3.57Å; N463-F500 WeakPolarHBondContact ND2-CD2 3.39Å; N463-F500 WeakPolarHBondContact ND2-CE2 3.49Å
464	C	95.6	Very high	94.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-41.6	175.4	-67.8	0	0	0	0	111.2	L427 C430 M431 L460 D461 E462 L467 L468	L427-C464 HydrophobicContact CD1-CB 3.96Å; L427-C464 VanDerWaalsContact CD1-O 3.31Å; L427-C464 WeakPolarHBondContact CD1-O 3.35Å; C430-C464 WeakPolarHBondContact CB-SG 3.49Å; M431-C464 HydrophobicContact CG-CB 3.97Å; L460-C464 PolarHBondContact O-N 3.45Å; L460-C464 PolarHBondContact O-SG 3.17Å; D461-C464 WeakPolarHBondContact O-CB 3.44Å; D461-C464 PolarHBondContact O-N 3.13Å; E462-C464 VanDerWaalsContact C-N 3.34Å; C464-L467 PolarHBondContact O-N 3.33Å; C464-L468 WeakPolarHBondContact O-CB 3.37Å; C464-L468 PolarHBondContact O-N 3.21Å
465	K	93.6	Very high	93.8	Very high	91 Å²	91	47.8 Å²	47.8	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-44.8	176.1	-70.2	168.9	-165.8	153.7	0	112.1	D461 E462 N463 L468 D469	D461-K465 WeakPolarHBondContact O-CG 3.47Å; D461-K465 PolarHBondContact O-N 3.48Å; D461-K465 WeakPolarHBondContact OD2-CE 3.47Å; D461-K465 IonicContact OD2-NZ 2.71Å; D461-K465 PolarHBondContact OD2-NZ 3.06Å; E462-K465 PolarHBondContact O-N 3.34Å; N463-K465 VanDerWaalsContact C-N 3.31Å; N463-K465 PolarHBondContact O-N 3.45Å; K465-L468 WeakPolarHBondContact O-CB 3.47Å; K465-L468 PolarHBondContact O-N 2.84Å; K465-D469 PolarHBondContact O-N 3.42Å
466	R	95.3	Very high	93	Very high	108 Å²	108	58.1 Å²	58.1	41%	0.408	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-44.7	177.4	-67.7	172.8	-170.4	-176.8	0.6	112.1	E462 N463 D469 L470 E493	E462-R466 WeakPolarHBondContact O-CG 3.29Å; E462-R466 PolarHBondContact O-N 3.49Å; E462-R466 VanDerWaalsContact O-N 3.14Å; E462-R466 IonicContact OE1-CZ 3.85Å; E462-R466 IonicContact OE1-NE 3.36Å; E462-R466 PolarHBondContact OE1-NE 2.85Å; E462-R466 VanDerWaalsContact OE1-NE 3.14Å; E462-R466 IonicContact OE1-NH2 3.89Å; E462-R466 PolarHBondContact OE1-NH2 3.44Å; E462-R466 VanDerWaalsContact OE1-NH2 3.1Å; N463-R466 PolarHBondContact O-N 3.38Å; R466-D469 PolarHBondContact O-N 3.15Å; R466-L470 WeakPolarHBondContact O-CG 3.22Å; R466-L470 PolarHBondContact O-N 3.11Å; R466-L470 VanDerWaalsContact O-N 3.1Å; R466-E493 HydrophobicContact CB-CG 4.33Å
467	L	95.8	Very high	92	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-45.1	175.9	-179.6	58.8	0	0	0	111	L427 N463 C464 D469 L470 L471 V490 E493	L427-L467 HydrophobicContact CB-CD2 3.98Å; L427-L467 HydrophobicContact CB-CG 4.5Å; L427-L467 HydrophobicContact CD1-CB 4.36Å; L427-L467 HydrophobicContact CD1-CD2 4.26Å; L427-L467 HydrophobicContact CD1-CG 4.4Å; N463-L467 PolarHBondContact O-N 3.09Å; C464-L467 PolarHBondContact O-N 3.33Å; L467-D469 PolarHBondContact O-N 2.92Å; L467-L470 PolarHBondContact O-N 3.03Å; L467-L471 HydrophobicContact CD1-CD1 4.11Å; L467-L471 HydrophobicContact CD1-CD2 4.38Å; L467-L471 HydrophobicContact CD1-CG 4.08Å; L467-L471 HydrophobicContact CG-CD1 4Å; L467-L471 HydrophobicContact CG-CG 4.36Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.25Å; L467-L471 PolarHBondContact O-N 3.24Å; L467-V490 HydrophobicContact CD1-CG1 4.21Å; L467-E493 HydrophobicContact CB-CB 4.22Å; L467-E493 HydrophobicContact CD1-CB 4.25Å
468	L	93.4	Very high	91	Very high	13 Å²	13	69.1 Å²	69.1	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-55.8	-49.2	176.2	176.3	60.1	0	0	0	111.7	L387 R391 M395 L427 C464 K465 L470 L471 E472	L387-L468 HydrophobicContact CD2-CD1 3.99Å; L387-L468 HydrophobicContact CD2-CD2 4.42Å; R391-L468 VanDerWaalsContact NH2-CD2 3.31Å; M395-L468 HydrophobicContact CE-CD1 4.38Å; M395-L468 HydrophobicContact SD-CD1 3.65Å; L427-L468 HydrophobicContact CD1-CB 4.3Å; L427-L468 HydrophobicContact CD2-CB 3.92Å; L427-L468 HydrophobicContact CD2-CD1 3.79Å; L427-L468 HydrophobicContact CD2-CG 4.42Å; C464-L468 WeakPolarHBondContact O-CB 3.37Å; C464-L468 PolarHBondContact O-N 3.21Å; K465-L468 WeakPolarHBondContact O-CB 3.47Å; K465-L468 PolarHBondContact O-N 2.84Å; L468-L470 VanDerWaalsContact C-N 3.34Å; L468-L470 PolarHBondContact O-N 3.45Å; L468-L471 PolarHBondContact O-N 3.15Å; L468-E472 HydrophobicContact CD1-CG 4Å; L468-E472 WeakPolarHBondContact O-CG 3.47Å; L468-E472 PolarHBondContact O-N 3.1Å
469	D	92	Very high	90	Very high	78 Å²	78	72.6 Å²	72.6	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-57.5	-46.4	177	-71.3	-22.4	0	0	0	111.4	K465 R466 L467 L471 E472 Y473	K465-D469 PolarHBondContact O-N 3.42Å; R466-D469 PolarHBondContact O-N 3.15Å; L467-D469 PolarHBondContact O-N 2.92Å; D469-L471 VanDerWaalsContact C-N 3.31Å; D469-L471 PolarHBondContact O-N 3.11Å; D469-E472 PolarHBondContact O-N 2.93Å; D469-Y473 HydrophobicContact CB-CD2 4.27Å; D469-Y473 HydrophobicContact CB-CE2 4.34Å; D469-Y473 WeakPolarHBondContact O-CD2 3.45Å; D469-Y473 PolarHBondContact O-N 2.81Å
470	L	93.7	Very high	89.1	Confident	40 Å²	40	67.2 Å²	67.2	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-37.4	178.1	-71.4	169.4	0	0	0	113.1	R466 L467 L468 G474 W486 V490 E493	R466-L470 WeakPolarHBondContact O-CG 3.22Å; R466-L470 PolarHBondContact O-N 3.11Å; R466-L470 VanDerWaalsContact O-N 3.1Å; L467-L470 PolarHBondContact O-N 3.03Å; L468-L470 VanDerWaalsContact C-N 3.34Å; L468-L470 PolarHBondContact O-N 3.45Å; L470-G474 PolarHBondContact O-N 3.32Å; L470-G474 VanDerWaalsContact O-N 3.14Å; L470-W486 PolarHBondContact O-NE1 3.2Å; L470-V490 HydrophobicContact CB-CG2 3.97Å; L470-E493 HydrophobicContact CD1-CB 4.02Å; L470-E493 HydrophobicContact CD1-CG 3.6Å
471	L	93.4	Very high	88.5	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-77.7	-31.2	179.9	-62.8	178.9	0	0	0	112.4	M395 I399 V424 L427 L467 L468 D469 V490	M395-L471 HydrophobicContact CB-CB 4.36Å; M395-L471 HydrophobicContact CG-CB 4.14Å; M395-L471 HydrophobicContact SD-CB 3.85Å; M395-L471 HydrophobicContact SD-CD1 4.49Å; I399-L471 HydrophobicContact CD1-CD2 3.85Å; I399-L471 HydrophobicContact CG1-CD2 4.14Å; V424-L471 HydrophobicContact CG2-CD1 4.01Å; L427-L471 HydrophobicContact CB-CD1 4.42Å; L427-L471 HydrophobicContact CD2-CD1 4.05Å; L467-L471 HydrophobicContact CD1-CD1 4.11Å; L467-L471 HydrophobicContact CD1-CD2 4.38Å; L467-L471 HydrophobicContact CD1-CG 4.08Å; L467-L471 HydrophobicContact CG-CD1 4Å; L467-L471 HydrophobicContact CG-CG 4.36Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.25Å; L467-L471 PolarHBondContact O-N 3.24Å; L468-L471 PolarHBondContact O-N 3.15Å; D469-L471 VanDerWaalsContact C-N 3.31Å; D469-L471 PolarHBondContact O-N 3.11Å; L471-V490 HydrophobicContact CD2-CG1 3.88Å; L471-V490 HydrophobicContact CD2-CG2 4.21Å
472	E	90	Very high	88.1	Confident	59 Å²	59	74.9 Å²	74.9	28%	0.276	34%	0.342	S	S	.	.	H	α-helix	trans	-75.8	-49.5	177.6	-73.1	-162.2	122.2	0	0	112.9	R391 M395 L468 D469	R391-E472 WeakPolarHBondContact CG-OE1 3.39Å; R391-E472 IonicContact CZ-OE1 2.86Å; R391-E472 IonicContact CZ-OE2 3.76Å; R391-E472 IonicContact NE-OE1 3.98Å; R391-E472 PolarHBondContact NE-OE1 3.5Å; R391-E472 IonicContact NE-OE2 2.92Å; R391-E472 IonicContact NH2-OE1 3.1Å; R391-E472 PolarHBondContact NH2-OE1 3.4Å; R391-E472 IonicContact NH2-OE2 3.64Å; R391-E472 PolarHBondContact NH2-OE2 3.27Å; M395-E472 HydrophobicContact CG-CG 3.91Å; M395-E472 HydrophobicContact SD-CG 4.04Å; L468-E472 HydrophobicContact CD1-CG 4Å; L468-E472 WeakPolarHBondContact O-CG 3.47Å; L468-E472 PolarHBondContact O-N 3.1Å; D469-E472 PolarHBondContact O-N 2.93Å
473	Y	87	Confident	87.7	Confident	187 Å²	187	71.4 Å²	71.4	73%	0.733	33%	0.325	S	S	*	.	H	α-helix	trans	-77.1	-34.4	-177.4	-69	-68.4	0	0	0	112.3	D469	D469-Y473 HydrophobicContact CB-CD2 4.27Å; D469-Y473 HydrophobicContact CB-CE2 4.34Å; D469-Y473 WeakPolarHBondContact O-CD2 3.45Å; D469-Y473 PolarHBondContact O-N 2.81Å
474	G	86.2	Confident	87.2	Confident	12 Å²	12	73.2 Å²	73.2	12%	0.124	34%	0.335	C	S	.	.			trans	67.5	-165.1	-172.6	0	0	0	0	0	112.8	L470	L470-G474 PolarHBondContact O-N 3.32Å; L470-G474 VanDerWaalsContact O-N 3.14Å
475	S	85.4	Confident	86.8	Confident	12 Å²	12	77.9 Å²	77.9	8%	0.084	36%	0.359	C	S	.	.			trans	-75	138.1	172	-173.9	0	0	0	0	111.5	N402 E477 S482 L483	N402-S475 PolarHBondContact ND2-N 3.49Å; S475-E477 VanDerWaalsContact C-N 3.34Å; S475-E477 PolarHBondContact OG-O 3.37Å; S475-S482 PolarHBondContact OG-O 3.06Å; S475-S482 PolarHBondContact OG-OG 3.43Å; S475-L483 WeakPolarHBondContact OG-CA 3.36Å; S475-L483 PolarHBondContact OG-N 3.24Å
476	R	78.6	Confident	86.8	Confident	246 Å²	246	74.1 Å²	74.1	93%	0.928	34%	0.342	S	S	*	.	S	Bend	trans	-62.5	-42.1	176.2	-68.3	-176.3	-179.7	179.2	0.6	111.4
477	E	77.3	Confident	86.6	Confident	115 Å²	115	71.5 Å²	71.5	54%	0.537	33%	0.332	S	S	.	.	S	Bend	trans	-121.7	122.7	176.6	-63.5	-174.7	-165	0	0	109.8	S475 K479 S482	S475-E477 VanDerWaalsContact C-N 3.34Å; S475-E477 PolarHBondContact OG-O 3.37Å; E477-K479 HydrophobicContact CB-CG 4.44Å; E477-K479 PolarHBondContact O-N 3.1Å; E477-S482 PolarHBondContact N-OG 3.37Å
478	R	75.6	Confident	86.3	Confident	155 Å²	155	75.5 Å²	75.5	59%	0.585	35%	0.351	S	S	*	.	S	Bend	trans	-77.2	34.9	-178.4	-59.1	-177.9	-170.1	150.2	5.8	113.1	A405	A405-R478 HydrophobicContact CB-CB 4.17Å
479	K	75.1	Confident	86.3	Confident	144 Å²	144	77.2 Å²	77.2	63%	0.626	36%	0.364	S	S	*	.	S	Bend	trans	-156.6	158.1	-177.8	58	179.4	-179.9	176.2	0	110.8	E477	E477-K479 HydrophobicContact CB-CG 4.44Å; E477-K479 PolarHBondContact O-N 3.1Å
480	G	78.9	Confident	86.4	Confident	40 Å²	40	73.5 Å²	73.5	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	61.1	-145.7	171.8	0	0	0	0	0	113.9	S482 L483	G480-S482 PolarHBondContact O-N 3.24Å; G480-L483 PolarHBondContact O-N 3.26Å
481	E	84.4	Confident	86.4	Confident	148 Å²	148	73.1 Å²	73.1	69%	0.692	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-35	-173.2	-170	177.1	-172.5	0	0	113.3	L483 L484 L485	E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 3.37Å; E481-L484 PolarHBondContact O-N 3.15Å; E481-L485 HydrophobicContact CG-CD1 3.94Å; E481-L485 HydrophobicContact CG-CG 4.18Å; E481-L485 WeakPolarHBondContact O-CB 3.17Å; E481-L485 WeakPolarHBondContact O-CG 3.25Å; E481-L485 PolarHBondContact O-N 3.07Å
482	S	86.7	Confident	86.4	Confident	34 Å²	34	75.9 Å²	75.9	24%	0.238	36%	0.358	C	S	.	.	H	α-helix	trans	-60	-35.9	-179.5	-168.6	0	0	0	0	112.9	S475 E477 G480 W486	S475-S482 PolarHBondContact OG-O 3.06Å; S475-S482 PolarHBondContact OG-OG 3.43Å; E477-S482 PolarHBondContact N-OG 3.37Å; G480-S482 PolarHBondContact O-N 3.24Å; S482-W486 WeakPolarHBondContact O-CB 3.41Å; S482-W486 PolarHBondContact O-N 2.94Å; S482-W486 VanDerWaalsContact O-N 3.07Å
483	L	86.8	Confident	86.7	Confident	3 Å²	3	74 Å²	74	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-76	-37	-179.6	-171.1	62.8	0	0	0	111.8	N402 A405 L406 S475 G480 E481 W486 R487	N402-L483 HydrophobicContact CB-CD1 3.91Å; A405-L483 HydrophobicContact CB-CD2 3.63Å; L406-L483 HydrophobicContact CB-CD2 4.37Å; L406-L483 HydrophobicContact CD2-CD2 3.81Å; L406-L483 HydrophobicContact CD2-CG 3.63Å; L406-L483 HydrophobicContact CG-CD1 4.26Å; L406-L483 HydrophobicContact CG-CD2 3.73Å; L406-L483 HydrophobicContact CG-CG 3.73Å; S475-L483 WeakPolarHBondContact OG-CA 3.36Å; S475-L483 PolarHBondContact OG-N 3.24Å; G480-L483 PolarHBondContact O-N 3.26Å; E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 3.37Å; L483-W486 HydrophobicContact CD1-CE3 4.16Å; L483-R487 PolarHBondContact O-N 2.81Å
484	L	85.9	Confident	87.2	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-44	173.5	-79.2	-178.5	0	0	0	112.4	L406 E481 R487 Q488	L406-L484 HydrophobicContact CD2-CD2 4.43Å; E481-L484 PolarHBondContact O-N 3.15Å; L484-R487 WeakPolarHBondContact O-CB 3.39Å; L484-R487 PolarHBondContact O-N 2.8Å; L484-Q488 PolarHBondContact O-N 3.09Å
485	L	89	Confident	87.6	Confident	101 Å²	101	66.7 Å²	66.7	53%	0.529	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-46.1	175.9	-73.9	172.4	0	0	0	110.8	E481 R487 Q488 S489	E481-L485 HydrophobicContact CG-CD1 3.94Å; E481-L485 HydrophobicContact CG-CG 4.18Å; E481-L485 WeakPolarHBondContact O-CB 3.17Å; E481-L485 WeakPolarHBondContact O-CG 3.25Å; E481-L485 PolarHBondContact O-N 3.07Å; L485-R487 PolarHBondContact O-N 3.26Å; L485-Q488 PolarHBondContact O-N 2.77Å; L485-S489 WeakPolarHBondContact O-CB 3.33Å; L485-S489 PolarHBondContact O-N 3.33Å; L485-S489 PolarHBondContact O-OG 3.29Å; L485-S489 VanDerWaalsContact O-OG 3.07Å
486	W	92.1	Very high	88.2	Confident	11 Å²	11	71.5 Å²	71.5	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-56.9	-47.8	175.1	171.1	78	0	0	0	111.9	N402 L406 L420 L470 S482 L483 Q488 S489 V490	N402-W486 HydrophobicContact CB-CE3 3.95Å; N402-W486 HydrophobicContact CB-CH2 3.52Å; N402-W486 HydrophobicContact CB-CZ2 4.22Å; N402-W486 HydrophobicContact CB-CZ3 3.37Å; N402-W486 WeakPolarHBondContact ND2-CZ2 3.29Å; L406-W486 HydrophobicContact CD1-CZ3 4.26Å; L420-W486 HydrophobicContact CD1-CH2 4.27Å; L420-W486 HydrophobicContact CD1-CZ3 3.92Å; L420-W486 HydrophobicContact CD2-CH2 4.09Å; L420-W486 HydrophobicContact CD2-CZ3 4.15Å; L470-W486 PolarHBondContact O-NE1 3.2Å; S482-W486 WeakPolarHBondContact O-CB 3.41Å; S482-W486 PolarHBondContact O-N 2.94Å; S482-W486 VanDerWaalsContact O-N 3.07Å; L483-W486 HydrophobicContact CD1-CE3 4.16Å; W486-Q488 VanDerWaalsContact C-N 3.34Å; W486-Q488 PolarHBondContact O-N 2.95Å; W486-S489 PolarHBondContact O-N 3.37Å; W486-V490 HydrophobicContact CD2-CG2 4.25Å; W486-V490 HydrophobicContact CZ2-CG2 3.98Å; W486-V490 WeakPolarHBondContact O-CG2 3.46Å; W486-V490 PolarHBondContact O-N 3.33Å
487	R	90.8	Very high	89.1	Confident	53 Å²	53	59.8 Å²	59.8	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-54.7	-51.3	176.2	179.4	-166.9	75.6	162.9	2.4	110.8	L406 D416 L420 L483 L484 L485 S489 V490 V491	L406-R487 HydrophobicContact CD1-CB 4.31Å; L406-R487 HydrophobicContact CD1-CG 4.4Å; D416-R487 IonicContact OD2-CZ 3.13Å; D416-R487 IonicContact OD2-NH1 2.89Å; D416-R487 PolarHBondContact OD2-NH1 2.99Å; L420-R487 HydrophobicContact CD1-CG 4.2Å; L420-R487 HydrophobicContact CD2-CG 4.41Å; L483-R487 PolarHBondContact O-N 2.81Å; L484-R487 WeakPolarHBondContact O-CB 3.39Å; L484-R487 PolarHBondContact O-N 2.8Å; L485-R487 PolarHBondContact O-N 3.26Å; R487-S489 VanDerWaalsContact C-N 3.34Å; R487-S489 PolarHBondContact O-N 2.81Å; R487-V490 PolarHBondContact O-N 3Å; R487-V491 WeakPolarHBondContact O-CG2 3.49Å; R487-V491 PolarHBondContact O-N 3.2Å
488	Q	90.7	Very high	90	Very high	85 Å²	85	55.1 Å²	55.1	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-42.6	-178.5	-170.1	63.3	50.7	0	0	111.6	L484 L485 W486 V491 N492	L484-Q488 PolarHBondContact O-N 3.09Å; L485-Q488 PolarHBondContact O-N 2.77Å; W486-Q488 VanDerWaalsContact C-N 3.34Å; W486-Q488 PolarHBondContact O-N 2.95Å; Q488-V491 PolarHBondContact O-N 3.24Å; Q488-N492 PolarHBondContact NE2-OD1 3.19Å; Q488-N492 VanDerWaalsContact O-CB 3.3Å; Q488-N492 WeakPolarHBondContact O-CB 3.32Å; Q488-N492 PolarHBondContact O-N 2.64Å; Q488-N492 PolarHBondContact O-ND2 3.26Å; Q488-N492 PolarHBondContact O-OD1 3.28Å
489	S	93.7	Very high	91.1	Very high	49 Å²	49	52.5 Å²	52.5	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-45	176.9	-63.4	0	0	0	0	112.1	L485 W486 R487 N492 E493	L485-S489 WeakPolarHBondContact O-CB 3.33Å; L485-S489 PolarHBondContact O-N 3.33Å; L485-S489 PolarHBondContact O-OG 3.29Å; L485-S489 VanDerWaalsContact O-OG 3.07Å; W486-S489 PolarHBondContact O-N 3.37Å; R487-S489 VanDerWaalsContact C-N 3.34Å; R487-S489 PolarHBondContact O-N 2.81Å; S489-N492 PolarHBondContact O-N 3.35Å; S489-E493 WeakPolarHBondContact O-CB 3.47Å; S489-E493 WeakPolarHBondContact O-CG 3.5Å; S489-E493 PolarHBondContact O-N 3.41Å
490	V	94.2	Very high	92.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-47.3	178.1	172.5	0	0	0	0	110.9	L420 S423 L467 L470 L471 W486 R487 N492 E493 R494	L420-V490 HydrophobicContact CD2-CB 3.89Å; L420-V490 HydrophobicContact CD2-CG1 3.63Å; S423-V490 WeakPolarHBondContact OG-CG1 3.36Å; L467-V490 HydrophobicContact CD1-CG1 4.21Å; L470-V490 HydrophobicContact CB-CG2 3.97Å; L471-V490 HydrophobicContact CD2-CG1 3.88Å; L471-V490 HydrophobicContact CD2-CG2 4.21Å; W486-V490 HydrophobicContact CD2-CG2 4.25Å; W486-V490 HydrophobicContact CZ2-CG2 3.98Å; W486-V490 WeakPolarHBondContact O-CG2 3.46Å; W486-V490 PolarHBondContact O-N 3.33Å; R487-V490 PolarHBondContact O-N 3Å; V490-N492 PolarHBondContact O-N 3.28Å; V490-E493 PolarHBondContact O-N 3.01Å; V490-R494 WeakPolarHBondContact O-CB 3.39Å; V490-R494 PolarHBondContact O-N 3.37Å
491	V	93.1	Very high	93.1	Very high	32 Å²	32	46.5 Å²	46.5	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-44.4	178.9	172.9	0	0	0	0	111.2	T419 R487 Q488 R494 A495	T419-V491 HydrophobicContact CG2-CG2 4.12Å; R487-V491 WeakPolarHBondContact O-CG2 3.49Å; R487-V491 PolarHBondContact O-N 3.2Å; Q488-V491 PolarHBondContact O-N 3.24Å; V491-R494 PolarHBondContact O-N 3.06Å; V491-A495 WeakPolarHBondContact O-CB 3.29Å; V491-A495 PolarHBondContact O-N 3.21Å
492	N	93.9	Very high	93.7	Very high	59 Å²	59	45.3 Å²	45.3	32%	0.316	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-47.1	179.3	-72.5	-6.1	0	0	0	112.2	Q488 S489 V490 A495 R496	Q488-N492 PolarHBondContact NE2-OD1 3.19Å; Q488-N492 VanDerWaalsContact O-CB 3.3Å; Q488-N492 WeakPolarHBondContact O-CB 3.32Å; Q488-N492 PolarHBondContact O-N 2.64Å; Q488-N492 PolarHBondContact O-ND2 3.26Å; Q488-N492 PolarHBondContact O-OD1 3.28Å; S489-N492 PolarHBondContact O-N 3.35Å; V490-N492 PolarHBondContact O-N 3.28Å; N492-A495 PolarHBondContact O-N 3.08Å; N492-R496 WeakPolarHBondContact O-CG 3.28Å; N492-R496 PolarHBondContact O-N 3.27Å
493	E	95.5	Very high	94.2	Very high	20 Å²	20	46.5 Å²	46.5	9%	0.093	22%	0.224	C	C	.	.	H	α-helix	trans	-68.9	-35.4	179.3	-70.4	-54.1	148.5	0	0	112.1	R466 L467 L470 S489 V490 R496 C497	R466-E493 HydrophobicContact CB-CG 4.33Å; L467-E493 HydrophobicContact CB-CB 4.22Å; L467-E493 HydrophobicContact CD1-CB 4.25Å; L470-E493 HydrophobicContact CD1-CB 4.02Å; L470-E493 HydrophobicContact CD1-CG 3.6Å; S489-E493 WeakPolarHBondContact O-CB 3.47Å; S489-E493 WeakPolarHBondContact O-CG 3.5Å; S489-E493 PolarHBondContact O-N 3.41Å; V490-E493 PolarHBondContact O-N 3.01Å; E493-R496 PolarHBondContact O-N 2.87Å; E493-R496 IonicContact OE1-CZ 3.74Å; E493-R496 IonicContact OE1-NH1 2.88Å; E493-R496 PolarHBondContact OE1-NH1 3.11Å; E493-R496 IonicContact OE2-NH1 3.76Å; E493-C497 PolarHBondContact O-N 2.88Å; E493-C497 PolarHBondContact O-SG 3.42Å
494	R	96.5	Very high	94.8	Very high	20 Å²	20	46.4 Å²	46.4	8%	0.075	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-49.3	170.9	-176.5	-172.2	171.8	-87.5	-7.9	111.2	E39 T426 V490 V491 R496 C497 L498	E39-R494 IonicContact OE1-CZ 3.24Å; E39-R494 IonicContact OE1-NH1 3.56Å; E39-R494 PolarHBondContact OE1-NH1 3.39Å; E39-R494 IonicContact OE1-NH2 3.62Å; E39-R494 PolarHBondContact OE1-NH2 2.88Å; E39-R494 IonicContact OE2-CZ 2.65Å; E39-R494 IonicContact OE2-NH1 3.69Å; E39-R494 PolarHBondContact OE2-NH1 3.47Å; E39-R494 IonicContact OE2-NH2 2.72Å; E39-R494 PolarHBondContact OE2-NH2 3.24Å; T426-R494 HydrophobicContact CG2-CG 3.65Å; T426-R494 PolarHBondContact OG1-NE 3.02Å; T426-R494 PolarHBondContact OG1-NH2 3.26Å; V490-R494 WeakPolarHBondContact O-CB 3.39Å; V490-R494 PolarHBondContact O-N 3.37Å; V491-R494 PolarHBondContact O-N 3.06Å; R494-R496 VanDerWaalsContact C-N 3.33Å; R494-R496 PolarHBondContact O-N 3.03Å; R494-C497 WeakPolarHBondContact O-CB 3.46Å; R494-C497 PolarHBondContact O-N 3.31Å; R494-L498 HydrophobicContact CG-CD1 4.47Å; R494-L498 PolarHBondContact O-N 3.35Å; R494-L498 VanDerWaalsContact O-N 3.1Å
495	A	95.9	Very high	95.3	Very high	24 Å²	24	44.5 Å²	44.5	20%	0.198	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-40.3	178	0	0	0	0	0	112.2	L35 V491 N492 L498 K499	L35-A495 HydrophobicContact CD1-CB 3.85Å; V491-A495 WeakPolarHBondContact O-CB 3.29Å; V491-A495 PolarHBondContact O-N 3.21Å; N492-A495 PolarHBondContact O-N 3.08Å; A495-L498 PolarHBondContact O-N 2.78Å; A495-K499 WeakPolarHBondContact O-CB 3.15Å; A495-K499 PolarHBondContact O-N 2.95Å
496	R	96.7	Very high	95.7	Very high	113 Å²	113	43 Å²	43	43%	0.426	21%	0.206	S	C	.	.	H	α-helix	trans	-60.8	-49.2	173.5	-74	173.9	-180	176.9	-2.9	111.5	N492 E493 R494 L498 K499 F500	N492-R496 WeakPolarHBondContact O-CG 3.28Å; N492-R496 PolarHBondContact O-N 3.27Å; E493-R496 PolarHBondContact O-N 2.87Å; E493-R496 IonicContact OE1-CZ 3.74Å; E493-R496 IonicContact OE1-NH1 2.88Å; E493-R496 PolarHBondContact OE1-NH1 3.11Å; E493-R496 IonicContact OE2-NH1 3.76Å; R494-R496 VanDerWaalsContact C-N 3.33Å; R494-R496 PolarHBondContact O-N 3.03Å; R496-L498 VanDerWaalsContact C-N 3.33Å; R496-L498 PolarHBondContact O-N 3.37Å; R496-K499 PolarHBondContact O-N 2.9Å; R496-F500 VanDerWaalsContact O-CD2 3.28Å; R496-F500 WeakPolarHBondContact O-CD2 3.43Å; R496-F500 PolarHBondContact O-N 2.81Å
497	C	97.9	Very high	96	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-54	-49	178	-70	0	0	0	0	111.6	C430 L460 N463 E493 R494 K499 F500 E501	C430-C497 HydrophobicContact CB-CB 4.36Å; L460-C497 VanDerWaalsContact CD1-O 3.32Å; L460-C497 WeakPolarHBondContact CD1-O 3.46Å; N463-C497 VanDerWaalsContact C-SG 3.57Å; E493-C497 PolarHBondContact O-N 2.88Å; E493-C497 PolarHBondContact O-SG 3.42Å; R494-C497 WeakPolarHBondContact O-CB 3.46Å; R494-C497 PolarHBondContact O-N 3.31Å; C497-K499 PolarHBondContact O-N 3.32Å; C497-F500 PolarHBondContact O-N 3.43Å; C497-E501 VanDerWaalsContact O-CB 3.3Å; C497-E501 WeakPolarHBondContact O-CB 3.36Å; C497-E501 PolarHBondContact O-N 3.06Å
498	L	97.4	Very high	96.3	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-41.6	178.9	-70	170.4	0	0	0	112.9	E39 T426 R494 A495 R496 R502	E39-L498 VanDerWaalsContact OE1-CD1 3.24Å; E39-L498 WeakPolarHBondContact OE1-CD1 3.39Å; T426-L498 HydrophobicContact CG2-CD1 4.12Å; T426-L498 HydrophobicContact CG2-CD2 3.69Å; T426-L498 HydrophobicContact CG2-CG 3.68Å; R494-L498 HydrophobicContact CG-CD1 4.47Å; R494-L498 PolarHBondContact O-N 3.35Å; R494-L498 VanDerWaalsContact O-N 3.1Å; A495-L498 PolarHBondContact O-N 2.78Å; R496-L498 VanDerWaalsContact C-N 3.33Å; R496-L498 PolarHBondContact O-N 3.37Å; L498-R502 WeakPolarHBondContact O-CB 3.44Å; L498-R502 PolarHBondContact O-N 2.99Å
499	K	97.4	Very high	96.5	Very high	101 Å²	101	42.5 Å²	42.5	44%	0.439	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-51.3	176.6	-178.4	179	179.1	177.5	0	111.1	A495 R496 C497 R502 T503	A495-K499 WeakPolarHBondContact O-CB 3.15Å; A495-K499 PolarHBondContact O-N 2.95Å; R496-K499 PolarHBondContact O-N 2.9Å; C497-K499 PolarHBondContact O-N 3.32Å; K499-R502 PolarHBondContact O-N 2.81Å; K499-T503 PolarHBondContact O-N 3.4Å; K499-T503 PolarHBondContact O-OG1 2.8Å; K499-T503 VanDerWaalsContact O-OG1 3.06Å
500	F	97.7	Very high	96.7	Very high	54 Å²	54	43.2 Å²	43.2	24%	0.237	20%	0.201	C	C	.	.	H	α-helix	trans	-69.8	-32.4	-178.2	-80.1	-78.3	0	0	0	112.8	R459 L460 N463 R496 C497 L504	R459-F500 HydrophobicContact CB-CD1 4.13Å; R459-F500 HydrophobicContact CB-CE1 4.21Å; L460-F500 HydrophobicContact CB-CB 4.42Å; L460-F500 HydrophobicContact CD1-CB 4.03Å; N463-F500 WeakPolarHBondContact ND2-CD2 3.39Å; N463-F500 WeakPolarHBondContact ND2-CE2 3.49Å; R496-F500 VanDerWaalsContact O-CD2 3.28Å; R496-F500 WeakPolarHBondContact O-CD2 3.43Å; R496-F500 PolarHBondContact O-N 2.81Å; C497-F500 PolarHBondContact O-N 3.43Å; F500-L504 WeakPolarHBondContact O-CB 3.18Å; F500-L504 PolarHBondContact O-N 3.31Å
501	E	98.2	Very high	96.8	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.019	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-50.4	170.6	-171.2	-157.8	-150.6	0	0	110.8	R429 T433 L460 C497 T503 L504 L505	R429-E501 WeakPolarHBondContact CG-OE1 3.36Å; R429-E501 IonicContact CZ-OE2 2.69Å; R429-E501 IonicContact NE-OE1 2.8Å; R429-E501 PolarHBondContact NE-OE1 3.22Å; R429-E501 VanDerWaalsContact NE-OE1 3.1Å; R429-E501 IonicContact NE-OE2 2.82Å; R429-E501 PolarHBondContact NE-OE2 3.42Å; R429-E501 IonicContact NH2-OE1 3.29Å; R429-E501 IonicContact NH2-OE2 3.91Å; R429-E501 PolarHBondContact NH2-OE2 2.86Å; T433-E501 HydrophobicContact CG2-CG 3.89Å; T433-E501 PolarHBondContact OG1-OE1 3.24Å; L460-E501 HydrophobicContact CD1-CB 4.2Å; L460-E501 HydrophobicContact CD2-CB 4.12Å; L460-E501 HydrophobicContact CD2-CG 4.35Å; C497-E501 VanDerWaalsContact O-CB 3.3Å; C497-E501 WeakPolarHBondContact O-CB 3.36Å; C497-E501 PolarHBondContact O-N 3.06Å; E501-T503 PolarHBondContact O-N 3.18Å; E501-L504 PolarHBondContact O-N 3.09Å; E501-L505 HydrophobicContact CG-CD1 4.15Å; E501-L505 HydrophobicContact CG-CG 4.5Å; E501-L505 WeakPolarHBondContact O-CG 3.43Å; E501-L505 PolarHBondContact O-N 3.3Å
502	R	97.7	Very high	96.9	Very high	123 Å²	123	44.6 Å²	44.6	46%	0.464	20%	0.203	S	C	.	.	H	α-helix	trans	-57.4	-49.5	177.7	-171.9	-176.3	-67	-162.7	-3.3	110.9	D38 L498 K499 L504 L505 D506	D38-R502 IonicContact OD2-NH1 3.52Å; D38-R502 IonicContact OD2-NH2 3.35Å; D38-R502 PolarHBondContact OD2-NH2 3.42Å; L498-R502 WeakPolarHBondContact O-CB 3.44Å; L498-R502 PolarHBondContact O-N 2.99Å; K499-R502 PolarHBondContact O-N 2.81Å; R502-L504 PolarHBondContact O-N 3.36Å; R502-L505 PolarHBondContact O-N 2.8Å; R502-D506 WeakPolarHBondContact O-CB 3.19Å; R502-D506 VanDerWaalsContact O-CG 3.26Å; R502-D506 PolarHBondContact O-N 2.97Å
503	T	97.6	Very high	96.9	Very high	59 Å²	59	47.8 Å²	47.8	36%	0.362	22%	0.221	S	C	.	.	H	α-helix	trans	-59.2	-43.8	178.2	-56.4	0	0	0	0	112.8	K499 E501 F507	K499-T503 PolarHBondContact O-N 3.4Å; K499-T503 PolarHBondContact O-OG1 2.8Å; K499-T503 VanDerWaalsContact O-OG1 3.06Å; E501-T503 PolarHBondContact O-N 3.18Å; T503-F507 VanDerWaalsContact O-CB 3.29Å; T503-F507 WeakPolarHBondContact O-CB 3.37Å; T503-F507 PolarHBondContact O-N 3.43Å
504	L	98.1	Very high	96.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-48.2	178	171	60.2	0	0	0	111.4	T433 T437 H456 E457 L460 F500 E501 R502 F507 C508	T433-L504 HydrophobicContact CG2-CD2 4.11Å; T437-L504 HydrophobicContact CG2-CD1 4.06Å; T437-L504 HydrophobicContact CG2-CD2 4.2Å; H456-L504 HydrophobicContact CB-CB 4.26Å; H456-L504 HydrophobicContact CB-CD1 3.63Å; H456-L504 HydrophobicContact CB-CG 4.48Å; E457-L504 HydrophobicContact CB-CD2 4.46Å; L460-L504 HydrophobicContact CD2-CD2 3.83Å; F500-L504 WeakPolarHBondContact O-CB 3.18Å; F500-L504 PolarHBondContact O-N 3.31Å; E501-L504 PolarHBondContact O-N 3.09Å; R502-L504 PolarHBondContact O-N 3.36Å; L504-F507 WeakPolarHBondContact O-CB 3.47Å; L504-F507 PolarHBondContact O-N 3.37Å; L504-C508 PolarHBondContact O-N 2.91Å; L504-C508 PolarHBondContact O-SG 3.32Å; L504-C508 VanDerWaalsContact O-SG 3.42Å
505	L	97.4	Very high	96.8	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-43.7	-179.7	-69.3	-178.8	0	0	0	111.8	E262 P263 T433 E501 R502 F507 C508 R509	E262-L505 HydrophobicContact CB-CD2 4.18Å; E262-L505 HydrophobicContact CG-CD2 3.82Å; P263-L505 HydrophobicContact CB-CD2 4.49Å; T433-L505 HydrophobicContact CG2-CD1 4.42Å; T433-L505 HydrophobicContact CG2-CD2 3.69Å; T433-L505 HydrophobicContact CG2-CG 4Å; E501-L505 HydrophobicContact CG-CD1 4.15Å; E501-L505 HydrophobicContact CG-CG 4.5Å; E501-L505 WeakPolarHBondContact O-CG 3.43Å; E501-L505 PolarHBondContact O-N 3.3Å; R502-L505 PolarHBondContact O-N 2.8Å; L505-F507 VanDerWaalsContact C-N 3.34Å; L505-F507 PolarHBondContact O-N 2.98Å; L505-C508 PolarHBondContact O-N 3.2Å; L505-R509 VanDerWaalsContact O-CG 3.29Å; L505-R509 WeakPolarHBondContact O-CG 3.39Å; L505-R509 PolarHBondContact O-N 3.4Å
506	D	97.3	Very high	96.7	Very high	70 Å²	70	58.5 Å²	58.5	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-41	176.9	-68.9	-20.6	0	0	0	111.3	R502 C508 R509 D510	R502-D506 WeakPolarHBondContact O-CB 3.19Å; R502-D506 VanDerWaalsContact O-CG 3.26Å; R502-D506 PolarHBondContact O-N 2.97Å; D506-C508 VanDerWaalsContact C-N 3.34Å; D506-C508 PolarHBondContact O-N 3.12Å; D506-R509 PolarHBondContact O-N 2.71Å; D506-R509 IonicContact OD1-CZ 3.76Å; D506-R509 IonicContact OD1-NH1 3.4Å; D506-R509 PolarHBondContact OD1-NH1 3.04Å; D506-D510 WeakPolarHBondContact O-CB 3.39Å; D506-D510 PolarHBondContact O-N 3.06Å
507	F	97.9	Very high	96.6	Very high	34 Å²	34	53.9 Å²	53.9	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-43.3	173.5	-177.4	-97.6	0	0	0	112.3	W449 L452 A453 H456 T503 L504 L505 G511 W517	W449-F507 HydrophobicContact CE3-CE2 4.24Å; W449-F507 AromaticContact CE3-CZ 3.98Å; W449-F507 HydrophobicContact CE3-CZ 3.98Å; W449-F507 HydrophobicContact CZ3-CE2 4.47Å; L452-F507 HydrophobicContact CB-CE1 4.07Å; L452-F507 HydrophobicContact CB-CE2 4.26Å; L452-F507 HydrophobicContact CB-CZ 3.5Å; L452-F507 VanDerWaalsContact CB-CZ 3.5Å; L452-F507 HydrophobicContact CD1-CE2 4.41Å; L452-F507 HydrophobicContact CD1-CZ 4.13Å; L452-F507 HydrophobicContact CG-CZ 4.48Å; A453-F507 HydrophobicContact CB-CD1 4.3Å; A453-F507 HydrophobicContact CB-CE1 3.9Å; H456-F507 AromaticContact NE2-CD2 3.98Å; T503-F507 VanDerWaalsContact O-CB 3.29Å; T503-F507 WeakPolarHBondContact O-CB 3.37Å; T503-F507 PolarHBondContact O-N 3.43Å; L504-F507 WeakPolarHBondContact O-CB 3.47Å; L504-F507 PolarHBondContact O-N 3.37Å; L505-F507 VanDerWaalsContact C-N 3.34Å; L505-F507 PolarHBondContact O-N 2.98Å; F507-G511 PolarHBondContact O-N 3.1Å; F507-G511 VanDerWaalsContact O-N 3.07Å; F507-W517 HydrophobicContact CD1-CH2 4.23Å; F507-W517 HydrophobicContact CD1-CZ2 4.47Å; F507-W517 AromaticContact CE1-CH2 3.72Å; F507-W517 HydrophobicContact CE1-CH2 3.72Å; F507-W517 HydrophobicContact CE1-CZ2 4.35Å; F507-W517 HydrophobicContact CZ-CH2 4.5Å
508	C	97.1	Very high	96.4	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-46.7	175.8	-74.8	0	0	0	0	112.5	P263 L504 L505 D506 G511 Y512 W517	P263-C508 HydrophobicContact CB-CB 3.52Å; P263-C508 HydrophobicContact CG-CB 4.1Å; L504-C508 PolarHBondContact O-N 2.91Å; L504-C508 PolarHBondContact O-SG 3.32Å; L504-C508 VanDerWaalsContact O-SG 3.42Å; L505-C508 PolarHBondContact O-N 3.2Å; D506-C508 VanDerWaalsContact C-N 3.34Å; D506-C508 PolarHBondContact O-N 3.12Å; C508-G511 PolarHBondContact O-N 3.41Å; C508-G511 VanDerWaalsContact O-N 3.16Å; C508-Y512 WeakPolarHBondContact O-CD2 3.28Å; C508-Y512 PolarHBondContact O-N 3.08Å; C508-Y512 VanDerWaalsContact O-N 3.08Å; C508-W517 PolarHBondContact O-NE1 2.98Å
509	R	95.8	Very high	96.2	Very high	102 Å²	102	61.4 Å²	61.4	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-45.9	176.3	-71.6	170	-170.5	151.5	-0.3	111.7	E262 L505 D506 G511 Y512 N513	E262-R509 VanDerWaalsContact CD-NH2 3.26Å; E262-R509 IonicContact OE1-CZ 2.75Å; E262-R509 IonicContact OE1-NE 3.14Å; E262-R509 PolarHBondContact OE1-NE 2.92Å; E262-R509 IonicContact OE1-NH2 3.98Å; E262-R509 PolarHBondContact OE1-NH2 2.68Å; E262-R509 IonicContact OE2-NH2 2.7Å; E262-R509 PolarHBondContact OE2-NH2 2.96Å; L505-R509 VanDerWaalsContact O-CG 3.29Å; L505-R509 WeakPolarHBondContact O-CG 3.39Å; L505-R509 PolarHBondContact O-N 3.4Å; D506-R509 PolarHBondContact O-N 2.71Å; D506-R509 IonicContact OD1-CZ 3.76Å; D506-R509 IonicContact OD1-NH1 3.4Å; D506-R509 PolarHBondContact OD1-NH1 3.04Å; R509-G511 PolarHBondContact O-N 3.31Å; R509-Y512 WeakPolarHBondContact O-CB 3.46Å; R509-Y512 PolarHBondContact O-N 2.96Å; R509-N513 PolarHBondContact O-N 3.31Å; R509-N513 PolarHBondContact O-ND2 3.04Å
510	D	96.8	Very high	95.7	Very high	65 Å²	65	60.8 Å²	60.8	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-39	175.7	-106.7	29.5	0	0	0	112.1	D506 Y512 N513 K514	D506-D510 WeakPolarHBondContact O-CB 3.39Å; D506-D510 PolarHBondContact O-N 3.06Å; D510-Y512 VanDerWaalsContact C-N 3.33Å; D510-N513 PolarHBondContact O-N 3.19Å; D510-K514 VanDerWaalsContact O-CB 3.27Å; D510-K514 WeakPolarHBondContact O-CB 3.26Å; D510-K514 WeakPolarHBondContact O-CG 3.27Å; D510-K514 PolarHBondContact O-N 2.93Å; D510-K514 IonicContact OD2-NZ 2.69Å; D510-K514 PolarHBondContact OD2-NZ 2.73Å
511	G	96.6	Very high	94.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-32.2	175.8	0	0	0	0	0	113.7	F507 C508 R509 N515 R516 W517	F507-G511 PolarHBondContact O-N 3.1Å; F507-G511 VanDerWaalsContact O-N 3.07Å; C508-G511 PolarHBondContact O-N 3.41Å; C508-G511 VanDerWaalsContact O-N 3.16Å; R509-G511 PolarHBondContact O-N 3.31Å; G511-N515 PolarHBondContact O-N 3.29Å; G511-N515 VanDerWaalsContact O-N 3.16Å; G511-R516 PolarHBondContact O-N 2.87Å; G511-W517 VanDerWaalsContact CA-NE1 3.32Å
512	Y	94.8	Very high	92.8	Very high	61 Å²	61	66.3 Å²	66.3	24%	0.239	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-52.6	171.1	-83.7	-66.3	0	0	0	110.6	P263 E265 F440 C508 R509 D510 K514 N515 W517 F519	P263-Y512 PolarHBondContact O-OH 3.14Å; E265-Y512 WeakPolarHBondContact OE1-CE1 3.48Å; E265-Y512 PolarHBondContact OE1-OH 3.38Å; F440-Y512 HydrophobicContact CE2-CE2 4.05Å; F440-Y512 AromaticContact CE2-CZ 3.84Å; F440-Y512 WeakPolarHBondContact CE2-OH 3.21Å; F440-Y512 HydrophobicContact CZ-CE2 4.36Å; C508-Y512 WeakPolarHBondContact O-CD2 3.28Å; C508-Y512 PolarHBondContact O-N 3.08Å; C508-Y512 VanDerWaalsContact O-N 3.08Å; R509-Y512 WeakPolarHBondContact O-CB 3.46Å; R509-Y512 PolarHBondContact O-N 2.96Å; D510-Y512 VanDerWaalsContact C-N 3.33Å; Y512-K514 PolarHBondContact O-N 3.24Å; Y512-N515 PolarHBondContact O-N 3.29Å; Y512-W517 AromaticContact CD1-CD1 3.68Å; Y512-W517 AromaticContact CD2-CD1 3.79Å; Y512-W517 AromaticContact CD2-NE1 3.79Å; Y512-W517 AromaticContact CE1-CD1 3.88Å; Y512-W517 AromaticContact CG-CD1 3.63Å; Y512-W517 AromaticContact CG-NE1 3.96Å; Y512-W517 VanDerWaalsContact N-CD1 3.35Å; Y512-W517 VanDerWaalsContact N-NE1 3.12Å; Y512-F519 HydrophobicContact CE1-CE2 4.5Å; Y512-F519 HydrophobicContact CE1-CZ 4.2Å
513	N	95	Very high	90.5	Very high	126 Å²	126	65.4 Å²	65.4	67%	0.674	32%	0.323	S	S	*	.	H	α-helix	trans	-57.5	-36.1	179.8	-67.4	-21.6	0	0	0	112.6	R509 D510	R509-N513 PolarHBondContact O-N 3.31Å; R509-N513 PolarHBondContact O-ND2 3.04Å; D510-N513 PolarHBondContact O-N 3.19Å
514	K	95.3	Very high	87.9	Confident	110 Å²	110	67.6 Å²	67.6	48%	0.478	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	9.4	-179.6	-63.8	169	-178.4	158.5	0	113.4	D510 Y512 R516	D510-K514 VanDerWaalsContact O-CB 3.27Å; D510-K514 WeakPolarHBondContact O-CB 3.26Å; D510-K514 WeakPolarHBondContact O-CG 3.27Å; D510-K514 PolarHBondContact O-N 2.93Å; D510-K514 IonicContact OD2-NZ 2.69Å; D510-K514 PolarHBondContact OD2-NZ 2.73Å; Y512-K514 PolarHBondContact O-N 3.24Å; K514-R516 HydrophobicContact CB-CG 3.94Å; K514-R516 PolarHBondContact O-N 3.26Å; K514-R516 VanDerWaalsContact O-N 3.15Å
515	N	93.4	Very high	84.8	Confident	121 Å²	121	70.8 Å²	70.8	65%	0.647	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	33.8	179.6	-69.7	-58.1	0	0	0	114.8	G511 Y512 K518	G511-N515 PolarHBondContact O-N 3.29Å; G511-N515 VanDerWaalsContact O-N 3.16Å; Y512-N515 PolarHBondContact O-N 3.29Å; N515-K518 PolarHBondContact O-NZ 2.98Å
516	R	93.9	Very high	81.6	Confident	58 Å²	58	73.5 Å²	73.5	22%	0.219	38%	0.382	C	S	.	.			trans	-77.5	-25.6	-178.3	-64.8	177.5	177.3	172.2	-6.8	112.7	W449 G511 K514	W449-R516 HydrophobicContact CD2-CG 4.38Å; W449-R516 HydrophobicContact CG-CB 4.12Å; W449-R516 HydrophobicContact CG-CG 4.43Å; W449-R516 VanDerWaalsContact CZ3-CZ 3.5Å; G511-R516 PolarHBondContact O-N 2.87Å; K514-R516 HydrophobicContact CB-CG 3.94Å; K514-R516 PolarHBondContact O-N 3.26Å; K514-R516 VanDerWaalsContact O-N 3.15Å
517	W	95.1	Very high	78.7	Confident	15 Å²	15	80.4 Å²	80.4	6%	0.057	40%	0.403	C	S	.	.			trans	-79.2	120.5	-179.5	-52.7	133.8	0	0	0	110.9	F440 L444 W449 V450 A453 F507 C508 G511 Y512 F519	F440-W517 HydrophobicContact CE1-CD2 4.38Å; F440-W517 HydrophobicContact CE1-CZ2 4.43Å; F440-W517 HydrophobicContact CE2-CG 4.31Å; F440-W517 AromaticContact CZ-CD1 3.86Å; F440-W517 AromaticContact CZ-CD2 3.62Å; F440-W517 HydrophobicContact CZ-CD2 3.62Å; F440-W517 AromaticContact CZ-CE2 3.66Å; F440-W517 HydrophobicContact CZ-CE3 4.1Å; F440-W517 AromaticContact CZ-CG 3.83Å; F440-W517 HydrophobicContact CZ-CG 3.83Å; F440-W517 HydrophobicContact CZ-CZ2 4.27Å; F440-W517 AromaticContact CZ-NE1 3.73Å; L444-W517 HydrophobicContact CD1-CD2 4.46Å; L444-W517 HydrophobicContact CD1-CE3 3.81Å; L444-W517 HydrophobicContact CD1-CZ3 4.22Å; L444-W517 HydrophobicContact CD2-CB 3.75Å; L444-W517 HydrophobicContact CD2-CD2 4.49Å; L444-W517 HydrophobicContact CD2-CE3 4.23Å; L444-W517 HydrophobicContact CD2-CG 4.31Å; W449-W517 HydrophobicContact CB-CH2 4.09Å; W449-W517 HydrophobicContact CB-CZ3 3.7Å; V450-W517 HydrophobicContact CG2-CZ3 4.41Å; A453-W517 HydrophobicContact CB-CH2 4.22Å; F507-W517 HydrophobicContact CD1-CH2 4.23Å; F507-W517 HydrophobicContact CD1-CZ2 4.47Å; F507-W517 AromaticContact CE1-CH2 3.72Å; F507-W517 HydrophobicContact CE1-CH2 3.72Å; F507-W517 HydrophobicContact CE1-CZ2 4.35Å; F507-W517 HydrophobicContact CZ-CH2 4.5Å; C508-W517 PolarHBondContact O-NE1 2.98Å; G511-W517 VanDerWaalsContact CA-NE1 3.32Å; Y512-W517 AromaticContact CD1-CD1 3.68Å; Y512-W517 AromaticContact CD2-CD1 3.79Å; Y512-W517 AromaticContact CD2-NE1 3.79Å; Y512-W517 AromaticContact CE1-CD1 3.88Å; Y512-W517 AromaticContact CG-CD1 3.63Å; Y512-W517 AromaticContact CG-NE1 3.96Å; Y512-W517 VanDerWaalsContact N-CD1 3.35Å; Y512-W517 VanDerWaalsContact N-NE1 3.12Å; W517-F519 HydrophobicContact CB-CE2 4.12Å; W517-F519 HydrophobicContact CB-CZ 4.26Å
518	K	94.1	Very high	75.9	Confident	110 Å²	110	87.8 Å²	87.8	48%	0.478	44%	0.435	S	S	.	.			trans	-116.5	119.4	172.8	-59.9	-58.9	178.6	-162.7	0	107.6	R445 N515	R445-K518 HydrophobicContact CB-CB 4.27Å; R445-K518 WeakPolarHBondContact CB-O 3.44Å; R445-K518 PolarHBondContact N-O 2.91Å; N515-K518 PolarHBondContact O-NZ 2.98Å
519	F	92.6	Very high	73	Confident	66 Å²	66	99.1 Å²	99.1	29%	0.289	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-85.8	147.2	-178.3	-63.7	-85.4	0	0	0	111.3	L268 F440 Y443 L444 Y512 W517	L268-F519 HydrophobicContact CD1-CD1 3.91Å; L268-F519 HydrophobicContact CD1-CE1 3.37Å; L268-F519 HydrophobicContact CD1-CZ 4.06Å; L268-F519 HydrophobicContact CD2-CD1 4.47Å; F440-F519 HydrophobicContact CD2-CE1 4.43Å; F440-F519 HydrophobicContact CE2-CE1 4.27Å; F440-F519 HydrophobicContact CE2-CZ 4.18Å; Y443-F519 CarbonylContact O-C 3.56Å; Y443-F519 WeakPolarHBondContact O-CA 3.45Å; L444-F519 HydrophobicContact CD2-CD1 3.91Å; L444-F519 HydrophobicContact CD2-CE1 3.66Å; L444-F519 HydrophobicContact CD2-CG 4.45Å; L444-F519 HydrophobicContact CD2-CZ 4.02Å; L444-F519 HydrophobicContact CG-CE1 4.49Å; Y512-F519 HydrophobicContact CE1-CE2 4.5Å; Y512-F519 HydrophobicContact CE1-CZ 4.2Å; W517-F519 HydrophobicContact CB-CE2 4.12Å; W517-F519 HydrophobicContact CB-CZ 4.26Å
520	M	87.2	Confident	70	Confident	88 Å²	88	100.8 Å²	100.8	43%	0.433	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-64.6	138.4	170.8	-68.6	-73.6	-76.2	0	0	108.8	Y443 R445	Y443-M520 PolarHBondContact O-N 2.84Å; R445-M520 HydrophobicContact CB-SD 4.17Å; R445-M520 HydrophobicContact CG-SD 4.39Å
521	P	74.1	Confident	68.7	Low	90 Å²	90	102.6 Å²	102.6	58%	0.584	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-62.5	138.8	178.2	24.3	-31.6	0	0	0	110.7	N523	P521-N523 PolarHBondContact O-N 3.32Å
522	D	60.8	Low	67.2	Low	83 Å²	83	108 Å²	108	44%	0.444	55%	0.549	S	S	.	.			trans	-59.3	109.6	176.7	-77.4	-27.6	0	0	0	110.3	Q271 V524 A525	Q271-D522 PolarHBondContact NE2-OD1 3.4Å; Q271-D522 VanDerWaalsContact NE2-OD1 3.13Å; Q271-D522 PolarHBondContact NE2-OD2 2.81Å; Q271-D522 PolarHBondContact OE1-OD1 2.85Å; D522-V524 PolarHBondContact O-N 2.97Å; D522-A525 PolarHBondContact O-N 3.37Å; D522-A525 VanDerWaalsContact O-N 3.11Å
523	N	49.9	Very low	65.7	Low	104 Å²	104	110.6 Å²	110.6	56%	0.556	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	0.4	172.7	-91.8	-25.1	0	0	0	113.6	P521 S526	P521-N523 PolarHBondContact O-N 3.32Å; N523-S526 PolarHBondContact O-OG 3.42Å; N523-S526 VanDerWaalsContact O-OG 3.11Å
524	V	42.3	Very low	63.9	Low	105 Å²	105	109.7 Å²	109.7	64%	0.636	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-26.8	173.9	-172.4	0	0	0	0	111.2	D522	D522-V524 PolarHBondContact O-N 2.97Å
525	A	33.2	Very low	62	Low	68 Å²	68	109.7 Å²	109.7	56%	0.562	57%	0.565	S	S	*	*	S	Bend	trans	-73.5	-28.2	178.5	0	0	0	0	0	113	D522	D522-A525 PolarHBondContact O-N 3.37Å; D522-A525 VanDerWaalsContact O-N 3.11Å
526	S	31.5	Very low	59.9	Low	67 Å²	67	108.9 Å²	108.9	47%	0.469	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	-20.5	179.9	37.4	0	0	0	0	113.9	N523	N523-S526 PolarHBondContact O-OG 3.42Å; N523-S526 VanDerWaalsContact O-OG 3.11Å
527	R	36.2	Very low	57.5	Low	215 Å²	215	112.6 Å²	112.6	81%	0.811	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-7.2	175.5	-74.3	-174.2	178.4	178.3	-1	114.9
528	K	38.3	Very low	54.6	Low	188 Å²	188	120.1 Å²	120.1	82%	0.817	63%	0.625	S	S	*	*	S	Bend	trans	-98.2	-0.4	172.6	-76.3	-172.8	174.9	-176.6	0	113.2
529	R	36.4	Very low	51.3	Low	239 Å²	239	120.9 Å²	120.9	90%	0.902	64%	0.637	S	S	*	*			trans	-114.9	-5.3	177.2	-81.3	-172.3	-178.2	-176.4	1	114
530	A	32.8	Very low	47.5	Very low	138 Å²	138	125.9 Å²	125.9	100%	1.141	67%	0.669	S	S	*	*			trans	-108	0	165	0	0	0	0	0	107.1

Retrieved 530 of 530 residues in 1456.4 ms (Link to these results)

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