A0A087YP28_POEFO Loading...

Matrix metalloproteinase-17

AlphaFold DB , UniProt , Accession A0A087YP28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 601 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	40.9	Very low	38.7	Very low	226 Å²	226	190.5 Å²	190.5	100%	1.113	90%	0.904	S	S	*	*				0	76.4	0	-67.4	161.2	71.8	0	0	107
2	N	37	Very low	38.5	Very low	152 Å²	152	187.4 Å²	187.4	81%	0.813	90%	0.897	S	S	*	*				85.2	90.6	65	-65	31.3	0	0	0	111.9	L4	N2-L4 PolarHBondContact O-N 3.29Å
3	S	42	Very low	38.5	Very low	119 Å²	119	186.6 Å²	186.6	83%	0.832	90%	0.898	S	S	*	*				20.3	102	128.7	169.4	0	0	0	0	117
4	L	41.6	Very low	38.6	Very low	161 Å²	161	180.6 Å²	180.6	84%	0.843	89%	0.885	S	S	*	*			trans	-165	28.6	153.3	-113.6	161.9	0	0	0	116.4	N2	N2-L4 PolarHBondContact O-N 3.29Å
5	V	45.1	Very low	38.7	Very low	152 Å²	152	180.7 Å²	180.7	92%	0.921	88%	0.883	S	S	*	*	S	Bend	trans	-126.5	18.2	178	-152	0	0	0	0	113.7
6	L	41.8	Very low	38.7	Very low	169 Å²	169	181.4 Å²	181.4	89%	0.885	88%	0.883	S	S	*	*	S	Bend	trans	-115.6	145.2	171.2	-93.8	142.3	0	0	0	109.7
7	R	38.2	Very low	38.7	Very low	246 Å²	246	181.5 Å²	181.5	93%	0.928	88%	0.884	S	S	*	*	S	Bend	trans	77.1	54.5	177.8	-47.7	-179.5	-179.1	-160.7	-0.1	118.2
8	K	36.5	Very low	38.8	Very low	201 Å²	201	180.6 Å²	180.6	87%	0.874	88%	0.883	S	S	*	*			trans	-148.6	21.6	152	-136.3	178.6	-179.2	179.9	0	118.5
9	W	33.7	Very low	38.8	Very low	259 Å²	259	179.2 Å²	179.2	98%	0.981	88%	0.879	S	S	*	*			trans	-124.6	55.5	170.1	-98.8	76.9	0	0	0	112.2
10	M	34.4	Very low	38.7	Very low	181 Å²	181	178.9 Å²	178.9	89%	0.892	88%	0.88	S	S	*	*			trans	-105	114.4	154.4	-81.6	-177.3	169.6	0	0	108
11	R	35	Very low	38.6	Very low	229 Å²	229	178.6 Å²	178.6	86%	0.864	88%	0.882	S	S	*	*			trans	160.5	157.6	141.5	-90.1	161.1	-177.7	-171.6	-1.2	111.5
12	N	35.9	Very low	38.4	Very low	154 Å²	154	175.7 Å²	175.7	82%	0.824	87%	0.87	S	S	*	*			trans	64.6	70.1	167.9	-60.1	12.1	0	0	0	116.9
13	I	38.4	Very low	38.5	Very low	177 Å²	177	176.2 Å²	176.2	91%	0.908	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-101.9	119.4	132.5	-64.9	173.8	0	0	0	105.3
14	S	39.9	Very low	38.6	Very low	102 Å²	102	175.9 Å²	175.9	71%	0.713	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-93.4	156.4	-178.5	48.1	0	0	0	0	111.8	E16	S14-E16 PolarHBondContact O-N 2.93Å
15	H	39.7	Very low	38.7	Very low	183 Å²	183	176.4 Å²	176.4	85%	0.847	87%	0.87	S	S	*	*	S	Bend	trans	-52.7	123.4	172.2	-67.7	-114.8	0	0	0	111.1
16	E	38.6	Very low	38.4	Very low	192 Å²	192	175.3 Å²	175.3	90%	0.897	86%	0.863	S	S	*	*			trans	-179.5	52.2	154	-94.9	-87.6	120.1	0	0	109.8	S14	S14-E16 PolarHBondContact O-N 2.93Å
17	M	38.6	Very low	38.5	Very low	182 Å²	182	172.2 Å²	172.2	90%	0.897	85%	0.853	S	S	*	*			trans	-158.1	48.2	160.3	-120.5	179	77.7	0	0	112	L19	M17-L19 VanDerWaalsContact C-N 3.33Å; M17-L19 PolarHBondContact O-N 3.02Å; M17-L19 VanDerWaalsContact O-N 3.1Å
18	L	40.9	Very low	38.6	Very low	165 Å²	165	166.5 Å²	166.5	86%	0.864	85%	0.845	S	S	*	*			trans	-80.9	76.2	173.8	-176.2	81.4	0	0	0	110.3
19	L	39.7	Very low	38.6	Very low	155 Å²	155	167.4 Å²	167.4	81%	0.812	84%	0.843	S	S	*	*			trans	-162.1	164.3	160.4	-132.9	70.9	0	0	0	109.9	M17	M17-L19 VanDerWaalsContact C-N 3.33Å; M17-L19 PolarHBondContact O-N 3.02Å; M17-L19 VanDerWaalsContact O-N 3.1Å
20	L	35.5	Very low	38.8	Very low	172 Å²	172	160.1 Å²	160.1	90%	0.901	83%	0.831	S	S	*	*			trans	68.2	42.1	179.5	-55.3	174.1	0	0	0	116.5
21	L	38.2	Very low	39	Very low	173 Å²	173	160.8 Å²	160.8	91%	0.906	83%	0.829	S	S	*	*			trans	-100.9	106.9	147.4	-93.8	170.8	0	0	0	109
22	L	36.6	Very low	39.1	Very low	166 Å²	166	156.7 Å²	156.7	87%	0.869	82%	0.824	S	S	*	*			trans	177.1	154.6	149.7	-101.4	166.6	0	0	0	111.5
23	L	37.7	Very low	39.1	Very low	162 Å²	162	154.4 Å²	154.4	85%	0.848	82%	0.817	S	S	*	*			trans	76.6	150.7	175.5	-61.2	175.3	0	0	0	116.9
24	P	45.8	Very low	38.9	Very low	113 Å²	113	154.1 Å²	154.1	73%	0.734	82%	0.816	S	S	*	*				-118.8	176.3	-128.5	42.7	-36	0	0	0	116.9	V26	P24-V26 PolarHBondContact O-N 3.18Å
25	L	43.1	Very low	38.9	Very low	172 Å²	172	155.3 Å²	155.3	90%	0.901	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-53.6	125.5	174.2	-68.6	157.3	0	0	0	113.2
26	V	38.3	Very low	38.6	Very low	129 Å²	129	150 Å²	150	78%	0.782	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-103.7	118	159.9	179.7	0	0	0	0	107.9	P24 V28	P24-V26 PolarHBondContact O-N 3.18Å; V26-V28 PolarHBondContact O-N 3.06Å
27	P	43.2	Very low	38.6	Very low	104 Å²	104	145.4 Å²	145.4	68%	0.675	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.4	124.6	172.2	29.5	-31.9	0	0	0	109.5	W29	P27-W29 PolarHBondContact O-N 3.25Å
28	V	40.8	Very low	38.8	Very low	126 Å²	126	140.9 Å²	140.9	76%	0.764	80%	0.801	S	S	*	*			trans	-69.5	105.4	173.9	177.6	0	0	0	0	108.8	V26 C30	V26-V28 PolarHBondContact O-N 3.06Å; V28-C30 PolarHBondContact O-N 3.14Å
29	W	37.4	Very low	38.8	Very low	220 Å²	220	138.8 Å²	138.8	83%	0.833	80%	0.797	S	S	*	*			trans	-68.3	98.6	163.1	-88.5	4.5	0	0	0	109.1	P27 F31	P27-W29 PolarHBondContact O-N 3.25Å; W29-F31 PolarHBondContact O-N 2.82Å; W29-F31 VanDerWaalsContact O-N 3.09Å
30	C	37.4	Very low	39.3	Very low	106 Å²	106	136.8 Å²	136.8	72%	0.716	80%	0.796	S	S	*	*			trans	-62.3	109.1	165.4	-68.4	0	0	0	0	109	V28 L32	V28-C30 PolarHBondContact O-N 3.14Å; C30-L32 PolarHBondContact O-N 2.78Å
31	F	38.5	Very low	40.2	Very low	194 Å²	194	131.5 Å²	131.5	85%	0.851	77%	0.768	S	S	*	*			trans	-66.7	80	165.8	-78.5	-92.9	0	0	0	109.7	W29 P33	W29-F31 PolarHBondContact O-N 2.82Å; W29-F31 VanDerWaalsContact O-N 3.09Å; F31-P33 WeakPolarHBondContact O-CD 3.45Å
32	L	36.6	Very low	41.5	Very low	144 Å²	144	126.7 Å²	126.7	75%	0.754	75%	0.746	S	S	*	*			trans	-64.5	122.1	154.3	-82.8	163.9	0	0	0	106.9	C30 L34	C30-L32 PolarHBondContact O-N 2.78Å; L32-L34 PolarHBondContact O-N 2.69Å
33	P	36	Very low	42.6	Very low	105 Å²	105	123.8 Å²	123.8	68%	0.682	74%	0.735	S	S	*	*			trans	-61.8	126.6	168.4	27.2	-32.2	0	0	0	107.5	F31 T35	F31-P33 WeakPolarHBondContact O-CD 3.45Å; P33-T35 VanDerWaalsContact C-N 3.29Å; P33-T35 PolarHBondContact O-N 2.72Å
34	L	34.8	Very low	43.8	Very low	171 Å²	171	122 Å²	122	90%	0.895	72%	0.723	S	S	*	*			trans	-63.9	97.1	167.6	-106.2	68.6	0	0	0	107.3	L32 G36	L32-L34 PolarHBondContact O-N 2.69Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 2.61Å
35	T	39.7	Very low	44.7	Very low	128 Å²	128	120 Å²	120	79%	0.785	70%	0.703	S	S	*	*			trans	-61.1	100	158.8	50.7	0	0	0	0	105.9	P33 A37	P33-T35 VanDerWaalsContact C-N 3.29Å; P33-T35 PolarHBondContact O-N 2.72Å; T35-A37 PolarHBondContact O-N 3.26Å; T35-A37 VanDerWaalsContact O-N 3.14Å
36	G	33.4	Very low	45.9	Very low	70 Å²	70	115.3 Å²	115.3	72%	0.722	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-50.4	123.9	179.6	0	0	0	0	0	109.1	L34 A38	L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 2.61Å; G36-A38 PolarHBondContact O-N 2.89Å; G36-A38 VanDerWaalsContact O-N 3.16Å
37	A	38.6	Very low	47.5	Very low	97 Å²	97	113.9 Å²	113.9	80%	0.802	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-57.1	124.6	174.9	0	0	0	0	0	107.5	T35	T35-A37 PolarHBondContact O-N 3.26Å; T35-A37 VanDerWaalsContact O-N 3.14Å
38	A	43	Very low	49	Very low	87 Å²	87	114.6 Å²	114.6	72%	0.719	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-54.9	137.5	173.6	0	0	0	0	0	108.2	G36 S40	G36-A38 PolarHBondContact O-N 2.89Å; G36-A38 VanDerWaalsContact O-N 3.16Å; A38-S40 PolarHBondContact O-N 3.04Å; A38-S40 VanDerWaalsContact O-N 3.13Å
39	P	41.7	Very low	51	Low	120 Å²	120	108.7 Å²	108.7	78%	0.779	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-55	125	-178.5	22.6	-33.1	0	0	0	109.2	L41	P39-L41 PolarHBondContact O-N 3.39Å
40	S	49.1	Very low	53	Low	114 Å²	114	99.7 Å²	99.7	80%	0.797	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-64	121	175.9	50.4	0	0	0	0	108.7	A38	A38-S40 PolarHBondContact O-N 3.04Å; A38-S40 VanDerWaalsContact O-N 3.13Å
41	L	55.3	Low	55.1	Low	60 Å²	60	98.8 Å²	98.8	31%	0.314	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-51.9	145.8	172.5	-92.3	78	0	0	0	110.8	P39 Q45 L94	P39-L41 PolarHBondContact O-N 3.39Å; L41-Q45 HydrophobicContact CB-CB 4.26Å; L41-Q45 HydrophobicContact CD2-CB 3.79Å; L41-Q45 HydrophobicContact CG-CB 4.06Å; L41-L94 HydrophobicContact CD1-CB 4.46Å; L41-L94 HydrophobicContact CD2-CB 3.66Å; L41-L94 HydrophobicContact CD2-CD1 3.73Å; L41-L94 HydrophobicContact CD2-CG 4.27Å
42	T	63.6	Low	57.5	Low	72 Å²	72	91 Å²	91	44%	0.442	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-69.1	155.8	165.3	68.7	0	0	0	0	109.7	E44 Q45 L46	T42-E44 PolarHBondContact O-N 2.62Å; T42-Q45 VanDerWaalsContact N-OE1 3.08Å; T42-Q45 PolarHBondContact O-N 3.13Å; T42-Q45 VanDerWaalsContact O-N 3.14Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.27Å; T42-Q45 PolarHBondContact OG1-N 2.73Å; T42-L46 PolarHBondContact O-N 3.32Å; T42-L46 VanDerWaalsContact O-N 3.14Å
43	T	61.3	Low	59.9	Low	105 Å²	105	84.1 Å²	84.1	64%	0.644	51%	0.514	S	S	*	.	H	α-helix	trans	-54.9	-42.1	175.3	-41	0	0	0	0	111.2	Q45 L46 D47	T43-Q45 PolarHBondContact O-N 2.79Å; T43-L46 WeakPolarHBondContact O-CA 3.36Å; T43-L46 VanDerWaalsContact O-CB 3.32Å; T43-L46 WeakPolarHBondContact O-CB 3.31Å; T43-L46 PolarHBondContact O-N 2.91Å; T43-D47 PolarHBondContact O-N 2.86Å
44	E	62	Low	62.2	Low	125 Å²	125	80.3 Å²	80.3	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-59.9	-39.7	177.5	-170.2	172.1	-153.4	0	0	113	T42 L46 M48	T42-E44 PolarHBondContact O-N 2.62Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-M48 HydrophobicContact CG-CE 4.45Å; E44-M48 WeakPolarHBondContact O-CB 3.3Å; E44-M48 WeakPolarHBondContact O-CG 3.22Å; E44-M48 PolarHBondContact O-N 2.72Å
45	Q	64.6	Low	64.6	Low	70 Å²	70	77.1 Å²	77.1	33%	0.327	47%	0.465	S	S	.	.	H	α-helix	trans	-68.4	-32.1	173.2	-72.9	170.6	-23.7	0	0	112.8	L41 T42 T43 M48 G49	L41-Q45 HydrophobicContact CB-CB 4.26Å; L41-Q45 HydrophobicContact CD2-CB 3.79Å; L41-Q45 HydrophobicContact CG-CB 4.06Å; T42-Q45 VanDerWaalsContact N-OE1 3.08Å; T42-Q45 PolarHBondContact O-N 3.13Å; T42-Q45 VanDerWaalsContact O-N 3.14Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.27Å; T42-Q45 PolarHBondContact OG1-N 2.73Å; T43-Q45 PolarHBondContact O-N 2.79Å; Q45-M48 HydrophobicContact CG-CE 4.38Å; Q45-G49 PolarHBondContact O-N 2.83Å
46	L	69.3	Low	66.8	Low	74 Å²	74	71.2 Å²	71.2	39%	0.387	43%	0.429	S	S	.	.	H	α-helix	trans	-71.4	-45.3	177	-167.4	68.5	0	0	0	110.8	T42 T43 E44 G49 V50 L75	T42-L46 PolarHBondContact O-N 3.32Å; T42-L46 VanDerWaalsContact O-N 3.14Å; T43-L46 WeakPolarHBondContact O-CA 3.36Å; T43-L46 VanDerWaalsContact O-CB 3.32Å; T43-L46 WeakPolarHBondContact O-CB 3.31Å; T43-L46 PolarHBondContact O-N 2.91Å; E44-L46 VanDerWaalsContact C-N 3.33Å; L46-G49 PolarHBondContact O-N 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.21Å; L46-L75 HydrophobicContact CD1-CD2 3.72Å
47	D	70.4	Confident	69.4	Low	100 Å²	100	68.5 Å²	68.5	54%	0.535	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-46.1	-179.4	-65.5	-26.8	0	0	0	111.5	T43 G49 V50 D51	T43-D47 PolarHBondContact O-N 2.86Å; D47-G49 VanDerWaalsContact C-N 3.26Å; D47-G49 PolarHBondContact O-N 2.88Å; D47-V50 PolarHBondContact O-N 2.85Å; D47-V50 VanDerWaalsContact O-N 3.14Å; D47-D51 PolarHBondContact O-N 3.02Å
48	M	76	Confident	71.7	Confident	119 Å²	119	64.5 Å²	64.5	59%	0.586	37%	0.365	S	S	*	.	H	α-helix	trans	-56.7	-40.6	171.3	-75.4	-170.7	-67.4	0	0	112.1	E44 Q45 V50 W52	E44-M48 HydrophobicContact CG-CE 4.45Å; E44-M48 WeakPolarHBondContact O-CB 3.3Å; E44-M48 WeakPolarHBondContact O-CG 3.22Å; E44-M48 PolarHBondContact O-N 2.72Å; Q45-M48 HydrophobicContact CG-CE 4.38Å; M48-V50 VanDerWaalsContact C-N 3.34Å; M48-V50 PolarHBondContact O-N 3.5Å; M48-W52 WeakPolarHBondContact O-CB 3.32Å; M48-W52 PolarHBondContact O-N 3.35Å; M48-W52 VanDerWaalsContact O-N 3.1Å
49	G	81.6	Confident	73.7	Confident	2 Å²	2	60.7 Å²	60.7	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-35.5	177.8	0	0	0	0	0	113.3	Q45 L46 D47 L53	Q45-G49 PolarHBondContact O-N 2.83Å; L46-G49 PolarHBondContact O-N 3.28Å; D47-G49 VanDerWaalsContact C-N 3.26Å; D47-G49 PolarHBondContact O-N 2.88Å; G49-L53 VanDerWaalsContact O-CB 3.31Å; G49-L53 WeakPolarHBondContact O-CB 3.29Å; G49-L53 WeakPolarHBondContact O-CD1 3.49Å; G49-L53 WeakPolarHBondContact O-CG 3.08Å; G49-L53 PolarHBondContact O-N 3.23Å; G49-L53 VanDerWaalsContact O-N 3.09Å
50	V	80.8	Confident	75.1	Confident	31 Å²	31	57.9 Å²	57.9	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-72.2	-42	177.2	170.8	0	0	0	0	111.9	L46 D47 M48 S54 L59 L75	L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.21Å; D47-V50 PolarHBondContact O-N 2.85Å; D47-V50 VanDerWaalsContact O-N 3.14Å; M48-V50 VanDerWaalsContact C-N 3.34Å; M48-V50 PolarHBondContact O-N 3.5Å; V50-S54 WeakPolarHBondContact O-CB 3.26Å; V50-S54 PolarHBondContact O-N 2.84Å; V50-S54 PolarHBondContact O-OG 2.85Å; V50-L59 HydrophobicContact CG1-CD1 4.24Å; V50-L75 HydrophobicContact CG2-CD1 4.06Å; V50-L75 HydrophobicContact CG2-CD2 4.34Å
51	D	81.3	Confident	75.8	Confident	86 Å²	86	57.4 Å²	57.4	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-52	175.2	-175.6	71.6	0	0	0	111	D47 L53 S54 R55	D47-D51 PolarHBondContact O-N 3.02Å; D51-L53 PolarHBondContact O-N 2.92Å; D51-S54 WeakPolarHBondContact O-CB 3.44Å; D51-S54 PolarHBondContact O-N 3.46Å; D51-R55 WeakPolarHBondContact O-CB 3.27Å; D51-R55 PolarHBondContact O-N 2.91Å; D51-R55 IonicContact OD2-CZ 2.76Å; D51-R55 IonicContact OD2-NE 3.61Å; D51-R55 IonicContact OD2-NH2 3.93Å; D51-R55 PolarHBondContact OD2-NH2 2.95Å
52	W	87.5	Confident	76	Confident	31 Å²	31	58.6 Å²	58.6	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-55.1	-48.4	178.8	-168	110.1	0	0	0	111.6	M48 S54 R55 F56 Y58 M82 M102 Y269	M48-W52 WeakPolarHBondContact O-CB 3.32Å; M48-W52 PolarHBondContact O-N 3.35Å; M48-W52 VanDerWaalsContact O-N 3.1Å; W52-S54 VanDerWaalsContact C-N 3.28Å; W52-S54 PolarHBondContact O-N 2.82Å; W52-R55 PolarHBondContact O-N 2.95Å; W52-F56 AromaticContact CD1-CE2 3.95Å; W52-F56 AromaticContact CD2-CD2 3.5Å; W52-F56 HydrophobicContact CD2-CD2 3.5Å; W52-F56 AromaticContact CD2-CE2 3.83Å; W52-F56 HydrophobicContact CD2-CE2 3.83Å; W52-F56 AromaticContact CE2-CD2 3.54Å; W52-F56 AromaticContact CE2-CE2 3.57Å; W52-F56 AromaticContact CE3-CD2 3.66Å; W52-F56 HydrophobicContact CE3-CD2 3.66Å; W52-F56 HydrophobicContact CE3-CE2 4.44Å; W52-F56 HydrophobicContact CG-CD2 4.07Å; W52-F56 HydrophobicContact CG-CE2 4.05Å; W52-F56 HydrophobicContact CH2-CB 4.48Å; W52-F56 AromaticContact CH2-CD2 3.83Å; W52-F56 HydrophobicContact CH2-CD2 3.83Å; W52-F56 HydrophobicContact CH2-CG 4.38Å; W52-F56 AromaticContact CZ2-CD2 3.73Å; W52-F56 HydrophobicContact CZ2-CD2 3.73Å; W52-F56 AromaticContact CZ2-CE2 3.97Å; W52-F56 HydrophobicContact CZ2-CE2 3.97Å; W52-F56 HydrophobicContact CZ3-CB 4.15Å; W52-F56 AromaticContact CZ3-CD2 3.78Å; W52-F56 HydrophobicContact CZ3-CD2 3.78Å; W52-F56 HydrophobicContact CZ3-CG 4.35Å; W52-F56 AromaticContact NE1-CE2 3.68Å; W52-F56 VanDerWaalsContact O-CD2 3.25Å; W52-F56 WeakPolarHBondContact O-CD2 3.47Å; W52-F56 PolarHBondContact O-N 2.95Å; W52-F56 VanDerWaalsContact O-N 3.09Å; W52-Y58 HydrophobicContact CH2-CE2 4.33Å; W52-Y58 AromaticContact CZ3-CD2 3.98Å; W52-Y58 HydrophobicContact CZ3-CD2 3.98Å; W52-Y58 AromaticContact CZ3-CE2 3.8Å; W52-Y58 HydrophobicContact CZ3-CE2 3.8Å; W52-M82 HydrophobicContact CE3-CG 4.47Å; W52-M82 HydrophobicContact CH2-CG 3.84Å; W52-M82 HydrophobicContact CH2-SD 4.31Å; W52-M82 HydrophobicContact CZ3-CE 4.25Å; W52-M82 HydrophobicContact CZ3-CG 3.48Å; W52-M82 VanDerWaalsContact CZ3-CG 3.48Å; W52-M82 HydrophobicContact CZ3-SD 4.35Å; W52-M102 HydrophobicContact CB-CE 3.66Å; W52-M102 HydrophobicContact CD2-CB 4.29Å; W52-M102 HydrophobicContact CD2-CE 3.55Å; W52-M102 HydrophobicContact CD2-CG 3.92Å; W52-M102 HydrophobicContact CE3-CE 3.71Å; W52-M102 HydrophobicContact CE3-CG 4.28Å; W52-M102 HydrophobicContact CG-CB 4.46Å; W52-M102 HydrophobicContact CG-CE 3.54Å; W52-M102 HydrophobicContact CG-CG 4.42Å; W52-M102 HydrophobicContact CH2-CG 4.42Å; W52-M102 HydrophobicContact CZ2-CB 4.28Å; W52-M102 HydrophobicContact CZ2-CG 4Å; W52-M102 PolarHBondContact NE1-O 2.77Å; W52-Y269 WeakPolarHBondContact CH2-OH 3.45Å; W52-Y269 HydrophobicContact CZ2-CE1 4.23Å
53	L	88.8	Confident	75.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-29	179.4	-72.9	168.6	0	0	0	112.6	G49 D51 G57 Y58 L59 L75 A78 I79 M82 M102	G49-L53 VanDerWaalsContact O-CB 3.31Å; G49-L53 WeakPolarHBondContact O-CB 3.29Å; G49-L53 WeakPolarHBondContact O-CD1 3.49Å; G49-L53 WeakPolarHBondContact O-CG 3.08Å; G49-L53 PolarHBondContact O-N 3.23Å; G49-L53 VanDerWaalsContact O-N 3.09Å; D51-L53 PolarHBondContact O-N 2.92Å; L53-G57 PolarHBondContact O-N 2.62Å; L53-Y58 HydrophobicContact CD2-CD2 4.05Å; L53-Y58 HydrophobicContact CD2-CG 4.06Å; L53-Y58 CarbonylContact O-C 3.52Å; L53-Y58 WeakPolarHBondContact O-CA 2.96Å; L53-Y58 WeakPolarHBondContact O-CB 3.44Å; L53-Y58 PolarHBondContact O-N 3.28Å; L53-L59 HydrophobicContact CB-CB 4.44Å; L53-L59 HydrophobicContact CB-CD1 3.78Å; L53-L59 HydrophobicContact CB-CG 3.97Å; L53-L59 HydrophobicContact CD1-CD1 4.33Å; L53-L59 PolarHBondContact O-N 3.26Å; L53-L75 HydrophobicContact CD1-CD1 3.68Å; L53-A78 HydrophobicContact CD1-CB 4.35Å; L53-I79 HydrophobicContact CD1-CG1 3.67Å; L53-M82 HydrophobicContact CD2-CB 3.73Å; L53-M82 HydrophobicContact CD2-CG 4.04Å; L53-M102 HydrophobicContact CG-CE 4.43Å
54	S	83.8	Confident	75	Confident	24 Å²	24	59.3 Å²	59.3	17%	0.168	32%	0.324	C	S	.	.	H	α-helix	trans	-74.5	-46.3	174.3	-54.3	0	0	0	0	111	V50 D51 W52 F56 G57	V50-S54 WeakPolarHBondContact O-CB 3.26Å; V50-S54 PolarHBondContact O-N 2.84Å; V50-S54 PolarHBondContact O-OG 2.85Å; D51-S54 WeakPolarHBondContact O-CB 3.44Å; D51-S54 PolarHBondContact O-N 3.46Å; W52-S54 VanDerWaalsContact C-N 3.28Å; W52-S54 PolarHBondContact O-N 2.82Å; S54-F56 VanDerWaalsContact C-N 3.34Å; S54-F56 PolarHBondContact O-N 3.29Å; S54-G57 PolarHBondContact O-N 2.75Å; S54-G57 VanDerWaalsContact O-N 3.16Å
55	R	83.8	Confident	74.1	Confident	105 Å²	105	59.7 Å²	59.7	40%	0.396	33%	0.334	S	S	.	.	H	α-helix	trans	-55.7	-45.9	179.1	-166.7	-175.6	-58.8	-168.2	7.6	111.9	D51 W52 G57 D201	D51-R55 WeakPolarHBondContact O-CB 3.27Å; D51-R55 PolarHBondContact O-N 2.91Å; D51-R55 IonicContact OD2-CZ 2.76Å; D51-R55 IonicContact OD2-NE 3.61Å; D51-R55 IonicContact OD2-NH2 3.93Å; D51-R55 PolarHBondContact OD2-NH2 2.95Å; W52-R55 PolarHBondContact O-N 2.95Å; R55-G57 PolarHBondContact O-N 3.29Å; R55-D201 IonicContact NH1-OD2 2.84Å; R55-D201 PolarHBondContact NH1-OD2 3.07Å
56	F	87.8	Confident	73.4	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.018	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	12.3	-178.5	-57.7	-64.7	0	0	0	114.9	W52 S54 Y58 R106 S108 D111 T206	W52-F56 AromaticContact CD1-CE2 3.95Å; W52-F56 AromaticContact CD2-CD2 3.5Å; W52-F56 HydrophobicContact CD2-CD2 3.5Å; W52-F56 AromaticContact CD2-CE2 3.83Å; W52-F56 HydrophobicContact CD2-CE2 3.83Å; W52-F56 AromaticContact CE2-CD2 3.54Å; W52-F56 AromaticContact CE2-CE2 3.57Å; W52-F56 AromaticContact CE3-CD2 3.66Å; W52-F56 HydrophobicContact CE3-CD2 3.66Å; W52-F56 HydrophobicContact CE3-CE2 4.44Å; W52-F56 HydrophobicContact CG-CD2 4.07Å; W52-F56 HydrophobicContact CG-CE2 4.05Å; W52-F56 HydrophobicContact CH2-CB 4.48Å; W52-F56 AromaticContact CH2-CD2 3.83Å; W52-F56 HydrophobicContact CH2-CD2 3.83Å; W52-F56 HydrophobicContact CH2-CG 4.38Å; W52-F56 AromaticContact CZ2-CD2 3.73Å; W52-F56 HydrophobicContact CZ2-CD2 3.73Å; W52-F56 AromaticContact CZ2-CE2 3.97Å; W52-F56 HydrophobicContact CZ2-CE2 3.97Å; W52-F56 HydrophobicContact CZ3-CB 4.15Å; W52-F56 AromaticContact CZ3-CD2 3.78Å; W52-F56 HydrophobicContact CZ3-CD2 3.78Å; W52-F56 HydrophobicContact CZ3-CG 4.35Å; W52-F56 AromaticContact NE1-CE2 3.68Å; W52-F56 VanDerWaalsContact O-CD2 3.25Å; W52-F56 WeakPolarHBondContact O-CD2 3.47Å; W52-F56 PolarHBondContact O-N 2.95Å; W52-F56 VanDerWaalsContact O-N 3.09Å; S54-F56 VanDerWaalsContact C-N 3.34Å; S54-F56 PolarHBondContact O-N 3.29Å; F56-Y58 HydrophobicContact CB-CD2 4.07Å; F56-Y58 HydrophobicContact CB-CE2 3.93Å; F56-R106 VanDerWaalsContact CD1-NH2 3.29Å; F56-R106 HydrophobicContact CZ-CG 4.31Å; F56-S108 WeakPolarHBondContact CE1-O 3.37Å; F56-D111 PolarHBondContact O-N 3.26Å; F56-T206 HydrophobicContact CE1-CG2 4.44Å; F56-T206 HydrophobicContact CZ-CG2 4.01Å
57	G	86.8	Confident	72.4	Confident	12 Å²	12	59.7 Å²	59.7	12%	0.124	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	8.1	167.7	0	0	0	0	0	116.8	L53 S54 R55	L53-G57 PolarHBondContact O-N 2.62Å; S54-G57 PolarHBondContact O-N 2.75Å; S54-G57 VanDerWaalsContact O-N 3.16Å; R55-G57 PolarHBondContact O-N 3.29Å
58	Y	87.7	Confident	71.3	Confident	14 Å²	14	61.5 Å²	61.5	6%	0.055	36%	0.359	C	S	.	.	S	Bend	trans	-81.5	-26.3	177.8	-61.2	-79.3	0	0	0	113.4	W52 L53 F56 A78 A81 M82 F85 D111 V112	W52-Y58 HydrophobicContact CH2-CE2 4.33Å; W52-Y58 AromaticContact CZ3-CD2 3.98Å; W52-Y58 HydrophobicContact CZ3-CD2 3.98Å; W52-Y58 AromaticContact CZ3-CE2 3.8Å; W52-Y58 HydrophobicContact CZ3-CE2 3.8Å; L53-Y58 HydrophobicContact CD2-CD2 4.05Å; L53-Y58 HydrophobicContact CD2-CG 4.06Å; L53-Y58 CarbonylContact O-C 3.52Å; L53-Y58 WeakPolarHBondContact O-CA 2.96Å; L53-Y58 WeakPolarHBondContact O-CB 3.44Å; L53-Y58 PolarHBondContact O-N 3.28Å; F56-Y58 HydrophobicContact CB-CD2 4.07Å; F56-Y58 HydrophobicContact CB-CE2 3.93Å; Y58-A78 WeakPolarHBondContact O-CB 3.35Å; Y58-A81 HydrophobicContact CD1-CB 3.95Å; Y58-A81 HydrophobicContact CE1-CB 4.43Å; Y58-M82 HydrophobicContact CD1-CB 3.87Å; Y58-M82 HydrophobicContact CD2-CB 4.04Å; Y58-M82 HydrophobicContact CD2-CG 4.14Å; Y58-M82 HydrophobicContact CE1-CB 3.8Å; Y58-M82 HydrophobicContact CE1-CG 4.37Å; Y58-M82 HydrophobicContact CE2-CB 3.97Å; Y58-M82 HydrophobicContact CE2-CG 3.77Å; Y58-M82 HydrophobicContact CG-CB 3.98Å; Y58-F85 HydrophobicContact CE1-CB 4.32Å; Y58-F85 WeakPolarHBondContact OH-CB 3.46Å; Y58-F85 WeakPolarHBondContact OH-CG 3.12Å; Y58-D111 HydrophobicContact CE1-CB 4.45Å; Y58-D111 HydrophobicContact CE2-CB 3.92Å; Y58-D111 VanDerWaalsContact CE2-OD2 3.31Å; Y58-D111 WeakPolarHBondContact CE2-OD2 3.49Å; Y58-D111 WeakPolarHBondContact OH-CB 3.14Å; Y58-D111 VanDerWaalsContact OH-CG 3.25Å; Y58-D111 PolarHBondContact OH-OD2 3.45Å; Y58-V112 HydrophobicContact CD1-CG2 4.04Å; Y58-V112 HydrophobicContact CE1-CG2 3.77Å
59	L	84.3	Confident	70.2	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.031	37%	0.37	C	S	.	.	S	Bend	trans	-117.1	149.4	169.3	-73.9	173.7	0	0	0	110.5	V50 L53 L75 A78	V50-L59 HydrophobicContact CG1-CD1 4.24Å; L53-L59 HydrophobicContact CB-CB 4.44Å; L53-L59 HydrophobicContact CB-CD1 3.78Å; L53-L59 HydrophobicContact CB-CG 3.97Å; L53-L59 HydrophobicContact CD1-CD1 4.33Å; L53-L59 PolarHBondContact O-N 3.26Å; L59-L75 HydrophobicContact CD1-CD1 4.03Å; L59-A78 HydrophobicContact CD2-CB 3.53Å; L59-A78 HydrophobicContact CG-CB 3.65Å
60	P	71.8	Confident	69.5	Low	62 Å²	62	65.9 Å²	65.9	40%	0.403	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-69.4	146.8	164.4	31.2	-32.7	0	0	0	109.7	Q70	P60-Q70 PolarHBondContact O-NE2 2.89Å
61	P	64.3	Low	69.1	Low	103 Å²	103	67.7 Å²	67.7	67%	0.669	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-61.4	152.2	174.4	27.4	-35.2	0	0	0	111.1	D63	P61-D63 PolarHBondContact O-N 3.35Å
62	P	58.5	Low	69	Low	85 Å²	85	71.3 Å²	71.3	55%	0.552	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-59	136	175.5	-22	33.2	0	0	0	111.8	P64	P62-P64 WeakPolarHBondContact O-CD 3.32Å
63	D	53.8	Low	68.7	Low	63 Å²	63	76.1 Å²	76.1	34%	0.337	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-71.9	116.4	173	172	5.9	0	0	0	109.9	P61 V65 T66 G67	P61-D63 PolarHBondContact O-N 3.35Å; D63-V65 PolarHBondContact O-N 2.82Å; D63-V65 WeakPolarHBondContact OD1-CB 3.49Å; D63-V65 PolarHBondContact OD1-N 2.87Å; D63-T66 WeakPolarHBondContact CB-OG1 3.31Å; D63-T66 WeakPolarHBondContact OD2-CB 3.33Å; D63-T66 WeakPolarHBondContact OD2-CG2 3.37Å; D63-T66 PolarHBondContact OD2-OG1 2.92Å; D63-G67 PolarHBondContact O-N 2.9Å
64	P	49.1	Very low	68.3	Low	129 Å²	129	77.7 Å²	77.7	84%	0.838	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.7	-177	30.6	-36.7	0	0	0	113.9	P62	P62-P64 WeakPolarHBondContact O-CD 3.32Å
65	V	43.9	Very low	68.3	Low	133 Å²	133	77.6 Å²	77.6	81%	0.806	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-38.7	179.4	-175.2	0	0	0	0	111.9	D63	D63-V65 PolarHBondContact O-N 2.82Å; D63-V65 WeakPolarHBondContact OD1-CB 3.49Å; D63-V65 PolarHBondContact OD1-N 2.87Å
66	T	50.2	Low	68.5	Low	87 Å²	87	75 Å²	75	53%	0.534	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-17.5	-177.4	61.4	0	0	0	0	114.5	D63 Q68	D63-T66 WeakPolarHBondContact CB-OG1 3.31Å; D63-T66 WeakPolarHBondContact OD2-CB 3.33Å; D63-T66 WeakPolarHBondContact OD2-CG2 3.37Å; D63-T66 PolarHBondContact OD2-OG1 2.92Å; T66-Q68 PolarHBondContact O-N 2.59Å
67	G	47.5	Very low	68.6	Low	57 Å²	57	79.6 Å²	79.6	59%	0.588	45%	0.454	S	S	*	.			trans	59.9	27.4	-177.9	0	0	0	0	0	113	D63 L69	D63-G67 PolarHBondContact O-N 2.9Å; G67-L69 PolarHBondContact O-N 2.84Å
68	Q	47.3	Very low	68.8	Low	139 Å²	139	79.2 Å²	79.2	65%	0.65	45%	0.45	S	S	*	.			trans	-67	106.4	-168.1	-173.8	171.9	0.5	0	0	111.6	T66 Q70	T66-Q68 PolarHBondContact O-N 2.59Å; Q68-Q70 PolarHBondContact O-N 2.92Å
69	L	54.2	Low	69	Low	158 Å²	158	78.9 Å²	78.9	83%	0.827	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-55.5	128.9	174	-65.9	172.7	0	0	0	110.6	G67 T71	G67-L69 PolarHBondContact O-N 2.84Å; L69-T71 PolarHBondContact O-N 2.91Å
70	Q	66.3	Low	69.4	Low	55 Å²	55	82.2 Å²	82.2	26%	0.257	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-58.4	130.2	176.5	-65.4	-68.4	-7.1	0	0	109.9	P60 Q68	P60-Q70 PolarHBondContact O-NE2 2.89Å; Q68-Q70 PolarHBondContact O-N 2.92Å
71	T	72.6	Confident	70.4	Confident	69 Å²	69	80.9 Å²	80.9	42%	0.423	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-70.2	150.9	179.6	74.5	0	0	0	0	110.7	L69 E73 A74 L75	L69-T71 PolarHBondContact O-N 2.91Å; T71-E73 WeakPolarHBondContact CB-OE2 3.4Å; T71-E73 PolarHBondContact O-N 2.95Å; T71-E73 PolarHBondContact OG1-OE2 2.82Å; T71-A74 WeakPolarHBondContact O-CB 3.4Å; T71-A74 PolarHBondContact O-N 2.92Å; T71-A74 WeakPolarHBondContact OG1-CB 3.47Å; T71-A74 PolarHBondContact OG1-N 2.95Å; T71-A74 VanDerWaalsContact OG1-N 3.16Å; T71-L75 PolarHBondContact O-N 2.93Å
72	K	79	Confident	71.8	Confident	161 Å²	161	76 Å²	76	70%	0.7	43%	0.426	S	S	*	.	H	α-helix	trans	-58	-33.1	178.7	-173	174.2	-178.2	175	0	111.6	T76	K72-T76 VanDerWaalsContact O-CB 3.25Å; K72-T76 WeakPolarHBondContact O-CB 3.21Å; K72-T76 PolarHBondContact O-N 3.27Å; K72-T76 PolarHBondContact O-OG1 2.86Å
73	E	80.7	Confident	73.5	Confident	133 Å²	133	71.9 Å²	71.9	62%	0.621	40%	0.399	S	S	*	.	H	α-helix	trans	-70.1	-41.6	177.4	-60.5	65.2	-139.3	0	0	111.3	T71 K77	T71-E73 WeakPolarHBondContact CB-OE2 3.4Å; T71-E73 PolarHBondContact O-N 2.95Å; T71-E73 PolarHBondContact OG1-OE2 2.82Å; E73-K77 VanDerWaalsContact O-CB 3.31Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 PolarHBondContact O-N 2.81Å
74	A	80.6	Confident	75.3	Confident	32 Å²	32	75 Å²	75	26%	0.264	41%	0.41	S	S	.	.	H	α-helix	trans	-65.3	-47	175.3	0	0	0	0	0	111.2	T71 K77 A78	T71-A74 WeakPolarHBondContact O-CB 3.4Å; T71-A74 PolarHBondContact O-N 2.92Å; T71-A74 WeakPolarHBondContact OG1-CB 3.47Å; T71-A74 PolarHBondContact OG1-N 2.95Å; T71-A74 VanDerWaalsContact OG1-N 3.16Å; A74-K77 WeakPolarHBondContact O-CB 3.41Å; A74-K77 PolarHBondContact O-N 3.19Å; A74-A78 WeakPolarHBondContact O-CB 3.41Å; A74-A78 PolarHBondContact O-N 3.41Å
75	L	85.2	Confident	77.3	Confident	22 Å²	22	70.6 Å²	70.6	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-60.7	-47.9	175.9	179.9	58.8	0	0	0	111.9	L46 V50 L53 L59 T71 K77 A78 I79	L46-L75 HydrophobicContact CD1-CD2 3.72Å; V50-L75 HydrophobicContact CG2-CD1 4.06Å; V50-L75 HydrophobicContact CG2-CD2 4.34Å; L53-L75 HydrophobicContact CD1-CD1 3.68Å; L59-L75 HydrophobicContact CD1-CD1 4.03Å; T71-L75 PolarHBondContact O-N 2.93Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 3.4Å; L75-A78 PolarHBondContact O-N 3.16Å; L75-I79 HydrophobicContact CD1-CD1 4Å; L75-I79 HydrophobicContact CD1-CG1 4.21Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 VanDerWaalsContact O-CG1 3.29Å; L75-I79 WeakPolarHBondContact O-CG1 3.19Å; L75-I79 PolarHBondContact O-N 3.24Å
76	T	88.1	Confident	79.4	Confident	50 Å²	50	64.3 Å²	64.3	31%	0.307	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-38.1	175.8	-60.6	0	0	0	0	111.7	K72 K80	K72-T76 VanDerWaalsContact O-CB 3.25Å; K72-T76 WeakPolarHBondContact O-CB 3.21Å; K72-T76 PolarHBondContact O-N 3.27Å; K72-T76 PolarHBondContact O-OG1 2.86Å; T76-K80 WeakPolarHBondContact O-CG 3.5Å; T76-K80 PolarHBondContact O-N 3.07Å
77	K	88.6	Confident	81.3	Confident	102 Å²	102	62.8 Å²	62.8	44%	0.443	34%	0.341	S	S	.	.	H	α-helix	trans	-68.7	-43	176.7	-172.3	-172.5	-177.3	-167.3	0	112.1	E73 A74 L75 K80 A81 T118	E73-K77 VanDerWaalsContact O-CB 3.31Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 PolarHBondContact O-N 2.81Å; A74-K77 WeakPolarHBondContact O-CB 3.41Å; A74-K77 PolarHBondContact O-N 3.19Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 3.4Å; K77-K80 PolarHBondContact O-N 3.49Å; K77-A81 PolarHBondContact O-N 2.72Å; K77-T118 VanDerWaalsContact CE-OG1 3.32Å; K77-T118 WeakPolarHBondContact CE-OG1 3.21Å; K77-T118 PolarHBondContact NZ-O 3.35Å; K77-T118 VanDerWaalsContact NZ-O 3.09Å; K77-T118 PolarHBondContact NZ-OG1 3.11Å
78	A	90.3	Very high	83.4	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.033	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-45.2	177.2	0	0	0	0	0	111.8	L53 Y58 L59 A74 L75 K80 A81 M82	L53-A78 HydrophobicContact CD1-CB 4.35Å; Y58-A78 WeakPolarHBondContact O-CB 3.35Å; L59-A78 HydrophobicContact CD2-CB 3.53Å; L59-A78 HydrophobicContact CG-CB 3.65Å; A74-A78 WeakPolarHBondContact O-CB 3.41Å; A74-A78 PolarHBondContact O-N 3.41Å; L75-A78 PolarHBondContact O-N 3.16Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 2.75Å; A78-A81 PolarHBondContact O-N 2.69Å; A78-A81 VanDerWaalsContact O-N 3.15Å; A78-M82 PolarHBondContact O-N 3.48Å
79	I	92.2	Very high	85.6	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-58	-44.1	175.2	-64.9	161.6	0	0	0	110.7	L53 L75 A81 M82 Q83 L94 T98	L53-I79 HydrophobicContact CD1-CG1 3.67Å; L75-I79 HydrophobicContact CD1-CD1 4Å; L75-I79 HydrophobicContact CD1-CG1 4.21Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 VanDerWaalsContact O-CG1 3.29Å; L75-I79 WeakPolarHBondContact O-CG1 3.19Å; L75-I79 PolarHBondContact O-N 3.24Å; I79-A81 PolarHBondContact O-N 2.62Å; I79-M82 PolarHBondContact O-N 2.96Å; I79-Q83 HydrophobicContact CG2-CG 4.18Å; I79-Q83 WeakPolarHBondContact O-CB 3.04Å; I79-Q83 VanDerWaalsContact O-CG 3.22Å; I79-Q83 WeakPolarHBondContact O-CG 3.32Å; I79-Q83 PolarHBondContact O-N 3.2Å; I79-L94 HydrophobicContact CD1-CD2 4.11Å; I79-L94 HydrophobicContact CD1-CG 3.89Å; I79-L94 HydrophobicContact CG1-CD2 3.98Å; I79-L94 HydrophobicContact CG1-CG 4.32Å; I79-L94 HydrophobicContact CG2-CD2 4.46Å; I79-T98 HydrophobicContact CG2-CG2 4.29Å
80	K	92.8	Very high	87.6	Confident	76 Å²	76	60.8 Å²	60.8	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-39.6	176	-71.1	-172	178.3	-163.7	0	113.2	T76 K77 A78 M82 K84 E90 T91 G92	T76-K80 WeakPolarHBondContact O-CG 3.5Å; T76-K80 PolarHBondContact O-N 3.07Å; K77-K80 PolarHBondContact O-N 3.49Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 2.75Å; K80-M82 VanDerWaalsContact C-N 3.35Å; K80-K84 VanDerWaalsContact O-CB 3.22Å; K80-K84 WeakPolarHBondContact O-CB 3.2Å; K80-K84 PolarHBondContact O-N 3.21Å; K80-E90 HydrophobicContact CB-CB 4.33Å; K80-E90 HydrophobicContact CD-CB 4.35Å; K80-E90 VanDerWaalsContact CE-O 3.22Å; K80-E90 WeakPolarHBondContact CE-O 3.41Å; K80-E90 HydrophobicContact CG-CB 4.18Å; K80-E90 PolarHBondContact NZ-O 3.42Å; K80-T91 VanDerWaalsContact CE-O 3.32Å; K80-T91 WeakPolarHBondContact CE-O 3.35Å; K80-G92 VanDerWaalsContact CG-CA 3.4Å
81	A	92.6	Very high	88.9	Confident	34 Å²	34	60.6 Å²	60.6	28%	0.281	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-42.9	176	0	0	0	0	0	111.6	Y58 K77 A78 I79 F85	Y58-A81 HydrophobicContact CD1-CB 3.95Å; Y58-A81 HydrophobicContact CE1-CB 4.43Å; K77-A81 PolarHBondContact O-N 2.72Å; A78-A81 PolarHBondContact O-N 2.69Å; A78-A81 VanDerWaalsContact O-N 3.15Å; I79-A81 PolarHBondContact O-N 2.62Å; A81-F85 WeakPolarHBondContact O-CB 3.26Å; A81-F85 PolarHBondContact O-N 3.11Å; A81-F85 VanDerWaalsContact O-N 3.07Å
82	M	94.1	Very high	89.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-49.9	175.8	-175.4	-81.4	-90.4	0	0	112.3	W52 L53 Y58 A78 I79 K80 K84 F85 G86 T98 L101 M102	W52-M82 HydrophobicContact CE3-CG 4.47Å; W52-M82 HydrophobicContact CH2-CG 3.84Å; W52-M82 HydrophobicContact CH2-SD 4.31Å; W52-M82 HydrophobicContact CZ3-CE 4.25Å; W52-M82 HydrophobicContact CZ3-CG 3.48Å; W52-M82 VanDerWaalsContact CZ3-CG 3.48Å; W52-M82 HydrophobicContact CZ3-SD 4.35Å; L53-M82 HydrophobicContact CD2-CB 3.73Å; L53-M82 HydrophobicContact CD2-CG 4.04Å; Y58-M82 HydrophobicContact CD1-CB 3.87Å; Y58-M82 HydrophobicContact CD2-CB 4.04Å; Y58-M82 HydrophobicContact CD2-CG 4.14Å; Y58-M82 HydrophobicContact CE1-CB 3.8Å; Y58-M82 HydrophobicContact CE1-CG 4.37Å; Y58-M82 HydrophobicContact CE2-CB 3.97Å; Y58-M82 HydrophobicContact CE2-CG 3.77Å; Y58-M82 HydrophobicContact CG-CB 3.98Å; A78-M82 PolarHBondContact O-N 3.48Å; I79-M82 PolarHBondContact O-N 2.96Å; K80-M82 VanDerWaalsContact C-N 3.35Å; M82-K84 VanDerWaalsContact C-N 3.3Å; M82-K84 PolarHBondContact O-N 2.94Å; M82-F85 PolarHBondContact O-N 2.72Å; M82-F85 VanDerWaalsContact O-N 3.08Å; M82-G86 PolarHBondContact O-N 3.18Å; M82-T98 HydrophobicContact CE-CG2 3.44Å; M82-T98 VanDerWaalsContact CE-CG2 3.44Å; M82-L101 HydrophobicContact SD-CD2 4.44Å; M82-M102 HydrophobicContact CE-CE 4.15Å; M82-M102 HydrophobicContact CE-CG 3.37Å; M82-M102 HydrophobicContact CE-SD 3.43Å; M82-M102 WeakPolarHBondContact CE-SD 3.41Å
83	Q	94.8	Very high	90.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-54	-48	176.4	-75.3	169.2	-24	0	0	111.3	I79 F85 G86 G87 L88 K89 T91 V93 T98	I79-Q83 HydrophobicContact CG2-CG 4.18Å; I79-Q83 WeakPolarHBondContact O-CB 3.04Å; I79-Q83 VanDerWaalsContact O-CG 3.22Å; I79-Q83 WeakPolarHBondContact O-CG 3.32Å; I79-Q83 PolarHBondContact O-N 3.2Å; Q83-F85 VanDerWaalsContact C-N 3.34Å; Q83-F85 PolarHBondContact O-N 2.89Å; Q83-G86 PolarHBondContact O-N 3.12Å; Q83-G87 PolarHBondContact O-N 3.28Å; Q83-G87 VanDerWaalsContact O-N 3.14Å; Q83-L88 HydrophobicContact CB-CB 3.96Å; Q83-L88 HydrophobicContact CG-CB 4.21Å; Q83-L88 HydrophobicContact CG-CD1 4.39Å; Q83-L88 WeakPolarHBondContact O-CA 3.08Å; Q83-L88 PolarHBondContact O-N 3.18Å; Q83-K89 PolarHBondContact OE1-O 3.07Å; Q83-T91 PolarHBondContact NE2-OG1 2.95Å; Q83-V93 PolarHBondContact NE2-O 2.66Å; Q83-T98 HydrophobicContact CG-CG2 4.1Å; Q83-T98 PolarHBondContact NE2-OG1 3.4Å
84	K	91.1	Very high	90.6	Very high	127 Å²	127	47.9 Å²	47.9	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-58.1	-42.8	176.8	-170.5	-170.5	-159	78.3	0	112.7	K80 M82 E90	K80-K84 VanDerWaalsContact O-CB 3.22Å; K80-K84 WeakPolarHBondContact O-CB 3.2Å; K80-K84 PolarHBondContact O-N 3.21Å; M82-K84 VanDerWaalsContact C-N 3.3Å; M82-K84 PolarHBondContact O-N 2.94Å; K84-E90 HydrophobicContact CB-CG 3.99Å; K84-E90 WeakPolarHBondContact CG-OE1 3.19Å; K84-E90 IonicContact NZ-OE1 3.89Å; K84-E90 PolarHBondContact NZ-OE1 2.61Å; K84-E90 IonicContact NZ-OE2 2.8Å
85	F	91.8	Very high	91	Very high	37 Å²	37	48.7 Å²	48.7	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-71.1	-36.3	179.3	-162	-82	0	0	0	112	Y58 A81 M82 Q83 G87 D111 H258 S260 P268	Y58-F85 HydrophobicContact CE1-CB 4.32Å; Y58-F85 WeakPolarHBondContact OH-CB 3.46Å; Y58-F85 WeakPolarHBondContact OH-CG 3.12Å; A81-F85 WeakPolarHBondContact O-CB 3.26Å; A81-F85 PolarHBondContact O-N 3.11Å; A81-F85 VanDerWaalsContact O-N 3.07Å; M82-F85 PolarHBondContact O-N 2.72Å; M82-F85 VanDerWaalsContact O-N 3.08Å; Q83-F85 VanDerWaalsContact C-N 3.34Å; Q83-F85 PolarHBondContact O-N 2.89Å; F85-G87 VanDerWaalsContact C-N 3.32Å; F85-G87 PolarHBondContact O-N 3.42Å; F85-D111 HydrophobicContact CD1-CB 4.18Å; F85-D111 HydrophobicContact CE1-CB 3.98Å; F85-D111 HydrophobicContact CE2-CB 4.45Å; F85-D111 HydrophobicContact CZ-CB 4.12Å; F85-H258 HydrophobicContact CE1-CB 4.19Å; F85-H258 HydrophobicContact CZ-CB 3.87Å; F85-S260 WeakPolarHBondContact O-CA 3.12Å; F85-S260 WeakPolarHBondContact O-CB 3.28Å; F85-P268 HydrophobicContact CD1-CG 4.4Å; F85-P268 HydrophobicContact CE1-CG 3.9Å
86	G	88.3	Confident	91.2	Very high	2 Å²	2	55 Å²	55	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-72	-18.1	178.7	0	0	0	0	0	115.8	M82 Q83 R267	M82-G86 PolarHBondContact O-N 3.18Å; Q83-G86 PolarHBondContact O-N 3.12Å; G86-R267 PolarHBondContact O-NH2 2.75Å; G86-R267 VanDerWaalsContact O-NH2 3.12Å
87	G	89.1	Confident	91.3	Very high	54 Å²	54	55.4 Å²	55.4	56%	0.557	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	9.6	-172.2	0	0	0	0	0	114.4	Q83 F85	Q83-G87 PolarHBondContact O-N 3.28Å; Q83-G87 VanDerWaalsContact O-N 3.14Å; F85-G87 VanDerWaalsContact C-N 3.32Å; F85-G87 PolarHBondContact O-N 3.42Å
88	L	92.4	Very high	91.5	Very high	49 Å²	49	50.5 Å²	50.5	26%	0.257	27%	0.274	S	S	.	.			trans	-89.2	164.3	-179.8	-58.7	179.8	0	0	0	112.7	Q83 A97 L101	Q83-L88 HydrophobicContact CB-CB 3.96Å; Q83-L88 HydrophobicContact CG-CB 4.21Å; Q83-L88 HydrophobicContact CG-CD1 4.39Å; Q83-L88 WeakPolarHBondContact O-CA 3.08Å; Q83-L88 PolarHBondContact O-N 3.18Å; L88-A97 HydrophobicContact CD2-CB 4.38Å; L88-L101 HydrophobicContact CD1-CB 3.98Å; L88-L101 HydrophobicContact CD1-CD2 3.7Å; L88-L101 HydrophobicContact CD1-CG 4.5Å; L88-L101 HydrophobicContact CG-CD2 3.93Å
89	K	94	Very high	91.5	Very high	176 Å²	176	52 Å²	52	77%	0.765	28%	0.282	S	S	*	.			trans	-68.4	131.8	172.4	-172.9	179.5	-176.5	179.3	0	110.3	Q83 T91	Q83-K89 PolarHBondContact OE1-O 3.07Å; K89-T91 HydrophobicContact CB-CG2 4.37Å; K89-T91 HydrophobicContact CD-CG2 4.29Å; K89-T91 HydrophobicContact CG-CG2 4.2Å; K89-T91 PolarHBondContact O-N 3.19Å
90	E	96.1	Very high	91.4	Very high	87 Å²	87	53.5 Å²	53.5	41%	0.407	30%	0.298	S	S	.	.			trans	-71.9	62.7	-179.3	-63.6	-178.3	-133.4	0	0	113.5	K80 K84	K80-E90 HydrophobicContact CB-CB 4.33Å; K80-E90 HydrophobicContact CD-CB 4.35Å; K80-E90 VanDerWaalsContact CE-O 3.22Å; K80-E90 WeakPolarHBondContact CE-O 3.41Å; K80-E90 HydrophobicContact CG-CB 4.18Å; K80-E90 PolarHBondContact NZ-O 3.42Å; K84-E90 HydrophobicContact CB-CG 3.99Å; K84-E90 WeakPolarHBondContact CG-OE1 3.19Å; K84-E90 IonicContact NZ-OE1 3.89Å; K84-E90 PolarHBondContact NZ-OE1 2.61Å; K84-E90 IonicContact NZ-OE2 2.8Å
91	T	93.6	Very high	91.2	Very high	52 Å²	52	50.7 Å²	50.7	32%	0.319	29%	0.287	S	S	.	.			trans	-69.8	-37	177.4	67.5	0	0	0	0	111.6	K80 Q83 K89 V93 D95	K80-T91 VanDerWaalsContact CE-O 3.32Å; K80-T91 WeakPolarHBondContact CE-O 3.35Å; Q83-T91 PolarHBondContact NE2-OG1 2.95Å; K89-T91 HydrophobicContact CB-CG2 4.37Å; K89-T91 HydrophobicContact CD-CG2 4.29Å; K89-T91 HydrophobicContact CG-CG2 4.2Å; K89-T91 PolarHBondContact O-N 3.19Å; T91-V93 VanDerWaalsContact C-N 3.33Å; T91-V93 WeakPolarHBondContact OG1-CG2 3.27Å; T91-V93 PolarHBondContact OG1-N 3.08Å; T91-V93 PolarHBondContact OG1-O 2.78Å; T91-D95 WeakPolarHBondContact CB-OD2 3.4Å; T91-D95 WeakPolarHBondContact CG2-OD2 3.16Å; T91-D95 PolarHBondContact OG1-OD2 3.48Å
92	G	89.9	Confident	91.1	Very high	3 Å²	3	50 Å²	50	3%	0.031	28%	0.278	C	S	.	.			trans	76.8	16.7	-175.5	0	0	0	0	0	114.6	K80	K80-G92 VanDerWaalsContact CG-CA 3.4Å
93	V	90.9	Very high	90.9	Very high	84 Å²	84	57.7 Å²	57.7	51%	0.509	31%	0.312	S	S	.	.	S	Bend	trans	-125.3	151.7	172.4	-67.2	0	0	0	0	109.5	Q83 T91 D95	Q83-V93 PolarHBondContact NE2-O 2.66Å; T91-V93 VanDerWaalsContact C-N 3.33Å; T91-V93 WeakPolarHBondContact OG1-CG2 3.27Å; T91-V93 PolarHBondContact OG1-N 3.08Å; T91-V93 PolarHBondContact OG1-O 2.78Å; V93-D95 HydrophobicContact CG2-CB 4.24Å; V93-D95 PolarHBondContact O-N 3.45Å
94	L	86.5	Confident	90.6	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	32%	0.324	C	S	.	.			trans	-76.2	67.5	174.4	-65.3	176.2	0	0	0	109.9	L41 I79 T98 L99 M102	L41-L94 HydrophobicContact CD1-CB 4.46Å; L41-L94 HydrophobicContact CD2-CB 3.66Å; L41-L94 HydrophobicContact CD2-CD1 3.73Å; L41-L94 HydrophobicContact CD2-CG 4.27Å; I79-L94 HydrophobicContact CD1-CD2 4.11Å; I79-L94 HydrophobicContact CD1-CG 3.89Å; I79-L94 HydrophobicContact CG1-CD2 3.98Å; I79-L94 HydrophobicContact CG1-CG 4.32Å; I79-L94 HydrophobicContact CG2-CD2 4.46Å; L94-T98 HydrophobicContact CD2-CG2 3.9Å; L94-L99 HydrophobicContact CB-CD2 4.15Å; L94-L99 HydrophobicContact CB-CG 4.31Å; L94-M102 HydrophobicContact CD2-CE 4.11Å; L94-M102 HydrophobicContact CD2-SD 3.7Å
95	D	88.4	Confident	90.6	Very high	49 Å²	49	55.2 Å²	55.2	26%	0.262	31%	0.308	S	S	.	.			trans	-73.5	169.8	174.7	57.8	46.8	0	0	0	112.3	T91 V93 A97 T98 L99	T91-D95 WeakPolarHBondContact CB-OD2 3.4Å; T91-D95 WeakPolarHBondContact CG2-OD2 3.16Å; T91-D95 PolarHBondContact OG1-OD2 3.48Å; V93-D95 HydrophobicContact CG2-CB 4.24Å; V93-D95 PolarHBondContact O-N 3.45Å; D95-A97 PolarHBondContact O-N 2.74Å; D95-A97 PolarHBondContact OD1-N 2.85Å; D95-T98 VanDerWaalsContact CG-OG1 3.32Å; D95-T98 WeakPolarHBondContact O-CA 3.35Å; D95-T98 WeakPolarHBondContact O-CB 3.49Å; D95-T98 PolarHBondContact O-N 2.82Å; D95-T98 WeakPolarHBondContact OD1-CB 3.46Å; D95-T98 PolarHBondContact OD1-N 2.9Å; D95-T98 PolarHBondContact OD1-OG1 2.95Å; D95-L99 PolarHBondContact O-N 2.66Å
96	Q	90.1	Very high	90.7	Very high	155 Å²	155	53.7 Å²	53.7	72%	0.724	30%	0.301	S	S	*	.	H	α-helix	trans	-58.7	-31.7	-174.3	-171	66.8	8.4	0	0	113.5	G100	Q96-G100 PolarHBondContact O-N 3.26Å
97	A	90.8	Very high	91.1	Very high	58 Å²	58	53.7 Å²	53.7	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-73	-40	175.9	0	0	0	0	0	111.3	L88 D95 G100 L101	L88-A97 HydrophobicContact CD2-CB 4.38Å; D95-A97 PolarHBondContact O-N 2.74Å; D95-A97 PolarHBondContact OD1-N 2.85Å; A97-G100 PolarHBondContact O-N 3.08Å; A97-L101 PolarHBondContact O-N 2.84Å
98	T	91.4	Very high	91.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-48.6	174.8	-53	0	0	0	0	111.2	I79 M82 Q83 L94 D95 G100 L101 M102	I79-T98 HydrophobicContact CG2-CG2 4.29Å; M82-T98 HydrophobicContact CE-CG2 3.44Å; M82-T98 VanDerWaalsContact CE-CG2 3.44Å; Q83-T98 HydrophobicContact CG-CG2 4.1Å; Q83-T98 PolarHBondContact NE2-OG1 3.4Å; L94-T98 HydrophobicContact CD2-CG2 3.9Å; D95-T98 VanDerWaalsContact CG-OG1 3.32Å; D95-T98 WeakPolarHBondContact O-CA 3.35Å; D95-T98 WeakPolarHBondContact O-CB 3.49Å; D95-T98 PolarHBondContact O-N 2.82Å; D95-T98 WeakPolarHBondContact OD1-CB 3.46Å; D95-T98 PolarHBondContact OD1-N 2.9Å; D95-T98 PolarHBondContact OD1-OG1 2.95Å; T98-G100 VanDerWaalsContact C-N 3.34Å; T98-G100 PolarHBondContact O-N 3.42Å; T98-L101 PolarHBondContact O-N 2.99Å; T98-M102 HydrophobicContact CG2-SD 4.08Å; T98-M102 VanDerWaalsContact O-CG 3.23Å; T98-M102 WeakPolarHBondContact O-CG 3.14Å; T98-M102 PolarHBondContact O-N 3.14Å
99	L	90.1	Very high	90.9	Very high	35 Å²	35	49.6 Å²	49.6	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-32.1	176.1	-67.9	174	0	0	0	112.9	L94 D95 M102 K103	L94-L99 HydrophobicContact CB-CD2 4.15Å; L94-L99 HydrophobicContact CB-CG 4.31Å; D95-L99 PolarHBondContact O-N 2.66Å; L99-M102 HydrophobicContact CD2-SD 4.32Å; L99-K103 WeakPolarHBondContact O-CG 3.33Å; L99-K103 PolarHBondContact O-N 2.72Å
100	G	90.1	Very high	90.6	Very high	37 Å²	37	43.5 Å²	43.5	38%	0.381	25%	0.245	S	C	.	.	H	α-helix	trans	-65.2	-44.1	172.7	0	0	0	0	0	112.4	Q96 A97 T98 K103 T104	Q96-G100 PolarHBondContact O-N 3.26Å; A97-G100 PolarHBondContact O-N 3.08Å; T98-G100 VanDerWaalsContact C-N 3.34Å; T98-G100 PolarHBondContact O-N 3.42Å; G100-K103 PolarHBondContact O-N 2.8Å; G100-T104 PolarHBondContact O-N 2.04Å; G100-T104 PolarHBondContact O-OG1 2.86Å
101	L	89.3	Confident	90.2	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-39.1	176.3	-174.8	66.7	0	0	0	112.3	M82 L88 A97 T98 K103 T104 Y269	M82-L101 HydrophobicContact SD-CD2 4.44Å; L88-L101 HydrophobicContact CD1-CB 3.98Å; L88-L101 HydrophobicContact CD1-CD2 3.7Å; L88-L101 HydrophobicContact CD1-CG 4.5Å; L88-L101 HydrophobicContact CG-CD2 3.93Å; A97-L101 PolarHBondContact O-N 2.84Å; T98-L101 PolarHBondContact O-N 2.99Å; L101-K103 PolarHBondContact O-N 2.67Å; L101-T104 VanDerWaalsContact O-CB 3.31Å; L101-T104 WeakPolarHBondContact O-CB 3.3Å; L101-T104 PolarHBondContact O-N 2.9Å; L101-T104 PolarHBondContact O-OG1 2.79Å; L101-Y269 HydrophobicContact CD1-CD1 3.76Å; L101-Y269 HydrophobicContact CD1-CD2 3.96Å; L101-Y269 HydrophobicContact CD1-CE1 3.79Å; L101-Y269 HydrophobicContact CD1-CE2 4.02Å; L101-Y269 HydrophobicContact CD1-CG 3.84Å; L101-Y269 HydrophobicContact CD2-CE1 4.3Å; L101-Y269 HydrophobicContact CD2-CE2 3.97Å; L101-Y269 HydrophobicContact CG-CD1 4.16Å; L101-Y269 HydrophobicContact CG-CE1 3.66Å; L101-Y269 HydrophobicContact CG-CE2 4.12Å; L101-Y269 WeakPolarHBondContact O-CE1 3.27Å
102	M	90.6	Very high	89.6	Confident	21 Å²	21	39.7 Å²	39.7	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-20.5	176.3	-68.9	167.3	91.4	0	0	113.4	W52 L53 M82 L94 T98 L99	W52-M102 HydrophobicContact CB-CE 3.66Å; W52-M102 HydrophobicContact CD2-CB 4.29Å; W52-M102 HydrophobicContact CD2-CE 3.55Å; W52-M102 HydrophobicContact CD2-CG 3.92Å; W52-M102 HydrophobicContact CE3-CE 3.71Å; W52-M102 HydrophobicContact CE3-CG 4.28Å; W52-M102 HydrophobicContact CG-CB 4.46Å; W52-M102 HydrophobicContact CG-CE 3.54Å; W52-M102 HydrophobicContact CG-CG 4.42Å; W52-M102 HydrophobicContact CH2-CG 4.42Å; W52-M102 HydrophobicContact CZ2-CB 4.28Å; W52-M102 HydrophobicContact CZ2-CG 4Å; W52-M102 PolarHBondContact NE1-O 2.77Å; L53-M102 HydrophobicContact CG-CE 4.43Å; M82-M102 HydrophobicContact CE-CE 4.15Å; M82-M102 HydrophobicContact CE-CG 3.37Å; M82-M102 HydrophobicContact CE-SD 3.43Å; M82-M102 WeakPolarHBondContact CE-SD 3.41Å; L94-M102 HydrophobicContact CD2-CE 4.11Å; L94-M102 HydrophobicContact CD2-SD 3.7Å; T98-M102 HydrophobicContact CG2-SD 4.08Å; T98-M102 VanDerWaalsContact O-CG 3.23Å; T98-M102 WeakPolarHBondContact O-CG 3.14Å; T98-M102 PolarHBondContact O-N 3.14Å; L99-M102 HydrophobicContact CD2-SD 4.32Å
103	K	88.8	Confident	88.2	Confident	161 Å²	161	45.8 Å²	45.8	70%	0.7	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	4.5	174	-70	177.3	174.5	-169.1	0	114	L99 G100 L101	L99-K103 WeakPolarHBondContact O-CG 3.33Å; L99-K103 PolarHBondContact O-N 2.72Å; G100-K103 PolarHBondContact O-N 2.8Å; L101-K103 PolarHBondContact O-N 2.67Å
104	T	89	Confident	86.4	Confident	44 Å²	44	45 Å²	45	27%	0.27	26%	0.262	S	S	.	.	S	Bend	trans	-81.7	131.8	175.9	-56.3	0	0	0	0	108.9	G100 L101 Y269	G100-T104 PolarHBondContact O-N 2.04Å; G100-T104 PolarHBondContact O-OG1 2.86Å; L101-T104 VanDerWaalsContact O-CB 3.31Å; L101-T104 WeakPolarHBondContact O-CB 3.3Å; L101-T104 PolarHBondContact O-N 2.9Å; L101-T104 PolarHBondContact O-OG1 2.79Å; T104-Y269 HydrophobicContact CG2-CD1 4.39Å
105	P	92.7	Very high	84.4	Confident	31 Å²	31	46.3 Å²	46.3	20%	0.201	27%	0.271	C	S	.	.			trans	-55.2	140.4	179.4	-20.6	28.3	0	0	0	111.2	G204 G205 V207 M240 Y270	P105-G204 WeakPolarHBondContact CA-O 3.24Å; P105-G204 WeakPolarHBondContact CG-O 3.44Å; P105-G205 WeakPolarHBondContact CA-O 3.28Å; P105-V207 HydrophobicContact CB-CG1 3.6Å; P105-M240 HydrophobicContact CB-CE 3.81Å; P105-M240 HydrophobicContact CG-CE 4.21Å; P105-Y270 WeakPolarHBondContact O-CB 3.41Å; P105-Y270 PolarHBondContact O-N 2.94Å
106	R	93.8	Very high	82.1	Confident	5 Å²	5	50 Å²	50	2%	0.019	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	164.1	-172	58.8	164.7	-68.8	147.2	5.6	114.5	F56 L109 D111 G205 T206 V207 P268 Y269	F56-R106 VanDerWaalsContact CD1-NH2 3.29Å; F56-R106 HydrophobicContact CZ-CG 4.31Å; R106-L109 PolarHBondContact NH2-O 3.06Å; R106-D111 IonicContact CZ-OD1 2.76Å; R106-D111 IonicContact CZ-OD2 2.88Å; R106-D111 IonicContact NH1-OD1 3.3Å; R106-D111 PolarHBondContact NH1-OD1 3.31Å; R106-D111 IonicContact NH1-OD2 3.61Å; R106-D111 PolarHBondContact NH1-OD2 3.28Å; R106-D111 IonicContact NH2-OD1 2.94Å; R106-D111 PolarHBondContact NH2-OD1 3.22Å; R106-D111 IonicContact NH2-OD2 3.97Å; R106-G205 PolarHBondContact N-O 2.9Å; R106-T206 CarbonylContact O-C 3.58Å; R106-T206 VanDerWaalsContact O-CA 3.31Å; R106-T206 WeakPolarHBondContact O-CA 3.44Å; R106-V207 PolarHBondContact O-N 3.39Å; R106-P268 CarbonylContact C-O 3.45Å; R106-P268 WeakPolarHBondContact CA-O 3.42Å; R106-P268 WeakPolarHBondContact CB-O 3.21Å; R106-Y269 HydrophobicContact CB-CD1 4.2Å
107	C	94.8	Very high	79.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	141.8	165.3	167.6	0	0	0	0	111	L109 H248 H258 P268	C107-L109 VanDerWaalsContact C-N 3.29Å; C107-L109 PolarHBondContact O-N 3.46Å; C107-L109 PolarHBondContact SG-N 2.98Å; C107-L109 VanDerWaalsContact SG-N 3.44Å; C107-H248 WeakPolarHBondContact CB-NE2 3.22Å; C107-H258 WeakPolarHBondContact CB-NE2 3.47Å; C107-H258 PolarHBondContact SG-NE2 3.28Å; C107-H258 VanDerWaalsContact SG-NE2 3.43Å; C107-P268 PolarHBondContact N-O 2.94Å
108	S	90.4	Very high	77.4	Confident	7 Å²	7	48.5 Å²	48.5	5%	0.049	29%	0.286	C	S	.	.	S	Bend	trans	-72	-19	-176.7	98.1	0	0	0	0	113.8	F56 A208 H209	F56-S108 WeakPolarHBondContact CE1-O 3.37Å; S108-A208 PolarHBondContact N-O 2.74Å; S108-H209 VanDerWaalsContact OG-CB 3.27Å; S108-H209 WeakPolarHBondContact OG-CB 3.36Å; S108-H209 VanDerWaalsContact OG-CG 3.27Å; S108-H209 PolarHBondContact OG-ND1 3Å
109	L	87.3	Confident	74.5	Confident	9 Å²	9	52 Å²	52	5%	0.047	32%	0.315	C	S	.	.	S	Bend	trans	-68.4	150	-174.4	-61.6	-176.2	0	0	0	113.1	R106 C107 Y198 H209 A210 F212 H252 H258	R106-L109 PolarHBondContact NH2-O 3.06Å; C107-L109 VanDerWaalsContact C-N 3.29Å; C107-L109 PolarHBondContact O-N 3.46Å; C107-L109 PolarHBondContact SG-N 2.98Å; C107-L109 VanDerWaalsContact SG-N 3.44Å; L109-Y198 HydrophobicContact CD2-CE1 4.4Å; L109-H209 HydrophobicContact CD2-CB 3.95Å; L109-H209 HydrophobicContact CG-CB 4.01Å; L109-A210 WeakPolarHBondContact CD1-O 3.47Å; L109-F212 HydrophobicContact CD1-CE2 4.15Å; L109-F212 HydrophobicContact CD1-CZ 4.14Å; L109-H252 HydrophobicContact CD1-CB 4.21Å; L109-H258 PolarHBondContact O-CE1 2.88Å
110	P	87.3	Confident	71.8	Confident	49 Å²	49	54.2 Å²	54.2	32%	0.318	35%	0.346	S	S	.	.			trans	-63	139.7	174.3	-23.8	34.5	0	0	0	114.1
111	D	88.3	Confident	69	Low	16 Å²	16	63.1 Å²	63.1	9%	0.086	37%	0.368	C	S	.	.	S	Bend	trans	-76.4	-26.6	176.3	-63.7	-25.1	0	0	0	112.3	F56 Y58 F85 R106 H258 P268	F56-D111 PolarHBondContact O-N 3.26Å; Y58-D111 HydrophobicContact CE1-CB 4.45Å; Y58-D111 HydrophobicContact CE2-CB 3.92Å; Y58-D111 VanDerWaalsContact CE2-OD2 3.31Å; Y58-D111 WeakPolarHBondContact CE2-OD2 3.49Å; Y58-D111 WeakPolarHBondContact OH-CB 3.14Å; Y58-D111 VanDerWaalsContact OH-CG 3.25Å; Y58-D111 PolarHBondContact OH-OD2 3.45Å; F85-D111 HydrophobicContact CD1-CB 4.18Å; F85-D111 HydrophobicContact CE1-CB 3.98Å; F85-D111 HydrophobicContact CE2-CB 4.45Å; F85-D111 HydrophobicContact CZ-CB 4.12Å; R106-D111 IonicContact CZ-OD1 2.76Å; R106-D111 IonicContact CZ-OD2 2.88Å; R106-D111 IonicContact NH1-OD1 3.3Å; R106-D111 PolarHBondContact NH1-OD1 3.31Å; R106-D111 IonicContact NH1-OD2 3.61Å; R106-D111 PolarHBondContact NH1-OD2 3.28Å; R106-D111 IonicContact NH2-OD1 2.94Å; R106-D111 PolarHBondContact NH2-OD1 3.22Å; R106-D111 IonicContact NH2-OD2 3.97Å; D111-H258 IonicContact OD1-CE1 2.72Å; D111-H258 IonicContact OD1-CG 2.9Å; D111-H258 IonicContact OD1-ND1 3.81Å; D111-H258 PolarHBondContact OD1-ND1 3.44Å; D111-P268 WeakPolarHBondContact OD1-CB 3.44Å; D111-P268 WeakPolarHBondContact OD1-CG 3.5Å
112	V	80.8	Confident	66.5	Low	42 Å²	42	74.5 Å²	74.5	26%	0.255	41%	0.41	S	S	.	.			trans	-131.4	120	-176.6	-175.3	0	0	0	0	109.6	Y58	Y58-V112 HydrophobicContact CD1-CG2 4.04Å; Y58-V112 HydrophobicContact CE1-CG2 3.77Å
113	S	60.4	Low	63.7	Low	132 Å²	132	82.7 Å²	82.7	92%	0.923	45%	0.445	S	S	*	.	S	Bend	trans	-84.8	-5.6	-174.4	51.2	0	0	0	0	115.6
114	D	53.4	Low	61.2	Low	66 Å²	66	86.5 Å²	86.5	35%	0.353	46%	0.455	S	S	.	.			trans	-159.9	113.1	167.3	177.7	5.6	0	0	0	110.9	N116 V117	D114-N116 PolarHBondContact O-N 3.02Å; D114-N116 VanDerWaalsContact OD1-CB 3.26Å; D114-N116 WeakPolarHBondContact OD1-CB 3.36Å; D114-N116 PolarHBondContact OD1-N 2.97Å; D114-N116 PolarHBondContact OD1-ND2 3.48Å; D114-V117 HydrophobicContact CB-CG2 3.93Å; D114-V117 PolarHBondContact O-N 2.98Å
115	P	44	Very low	58.6	Low	37 Å²	37	89.4 Å²	89.4	24%	0.24	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-64.3	-20.6	-179.8	24.6	-33.2	0	0	0	113.8	V117 T118	P115-V117 PolarHBondContact O-N 2.97Å; P115-T118 PolarHBondContact O-OG1 3.02Å
116	N	41.1	Very low	55.7	Low	125 Å²	125	95.2 Å²	95.2	67%	0.668	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-70.2	-18.1	-178.8	-62.5	-78	0	0	0	113.6	D114 T118	D114-N116 PolarHBondContact O-N 3.02Å; D114-N116 VanDerWaalsContact OD1-CB 3.26Å; D114-N116 WeakPolarHBondContact OD1-CB 3.36Å; D114-N116 PolarHBondContact OD1-N 2.97Å; D114-N116 PolarHBondContact OD1-ND2 3.48Å; N116-T118 PolarHBondContact O-N 3.12Å; N116-T118 VanDerWaalsContact O-N 3.13Å
117	V	43.6	Very low	53.2	Low	106 Å²	106	101.8 Å²	101.8	64%	0.642	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-66.8	-15.9	-178.1	-179.8	0	0	0	0	112.4	D114 P115 A119	D114-V117 HydrophobicContact CB-CG2 3.93Å; D114-V117 PolarHBondContact O-N 2.98Å; P115-V117 PolarHBondContact O-N 2.97Å; V117-A119 PolarHBondContact O-N 2.73Å
118	T	37.7	Very low	50.9	Low	77 Å²	77	107.6 Å²	107.6	47%	0.472	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-72.2	18.3	177.4	61	0	0	0	0	114.9	K77 P115 N116	K77-T118 VanDerWaalsContact CE-OG1 3.32Å; K77-T118 WeakPolarHBondContact CE-OG1 3.21Å; K77-T118 PolarHBondContact NZ-O 3.35Å; K77-T118 VanDerWaalsContact NZ-O 3.09Å; K77-T118 PolarHBondContact NZ-OG1 3.11Å; P115-T118 PolarHBondContact O-OG1 3.02Å; N116-T118 PolarHBondContact O-N 3.12Å; N116-T118 VanDerWaalsContact O-N 3.13Å
119	A	32.1	Very low	49.4	Very low	73 Å²	73	111.9 Å²	111.9	60%	0.603	60%	0.596	S	S	*	*	S	Bend	trans	-147.7	102	175.3	0	0	0	0	0	113.9	V117 R121	V117-A119 PolarHBondContact O-N 2.73Å; A119-R121 PolarHBondContact O-N 3.38Å
120	G	33.2	Very low	48.9	Very low	81 Å²	81	113.8 Å²	113.8	84%	0.835	61%	0.607	S	S	*	*	S	Bend	trans	79.7	7.4	140.3	0	0	0	0	0	120.2
121	R	30.5	Very low	48.9	Very low	225 Å²	225	114 Å²	114	85%	0.849	60%	0.603	S	S	*	*			trans	-161.5	125.4	162.3	-112.3	155.3	-176.2	160	0.8	113.2	A119 K123	A119-R121 PolarHBondContact O-N 3.38Å; R121-K123 PolarHBondContact O-N 2.67Å
122	R	37	Very low	49.1	Very low	256 Å²	256	114.4 Å²	114.4	97%	0.966	60%	0.603	S	S	*	*			trans	-69.5	70.7	158.5	-78.6	-175.3	173.2	174.9	-3.2	109.6	R124	R122-R124 PolarHBondContact O-N 3.35Å
123	K	31.8	Very low	49.6	Very low	193 Å²	193	119.4 Å²	119.4	84%	0.839	63%	0.628	S	S	*	*			trans	-64.9	123.3	164.9	-154	-179.5	-173.6	-173.3	0	105.7	R121 S125	R121-K123 PolarHBondContact O-N 2.67Å; K123-S125 PolarHBondContact O-N 3.25Å
124	R	36.5	Very low	51.1	Low	240 Å²	240	117.2 Å²	117.2	91%	0.906	60%	0.602	S	S	*	*			trans	-69.8	81.1	171.7	-67.4	177.5	-178.2	160.4	-1.6	107.7	R122 L126	R122-R124 PolarHBondContact O-N 3.35Å; R124-L126 PolarHBondContact O-N 3.02Å
125	S	33.1	Very low	53	Low	106 Å²	106	118.6 Å²	118.6	74%	0.741	60%	0.602	S	S	*	*			trans	-57.7	135.2	158	-154.4	0	0	0	0	106.4	K123	K123-S125 PolarHBondContact O-N 3.25Å
126	L	33.1	Very low	55.4	Low	152 Å²	152	122.5 Å²	122.5	80%	0.796	62%	0.617	S	S	*	*			trans	-66.9	145.5	-171.8	-66.5	92.7	0	0	0	109.2	R124 T128	R124-L126 PolarHBondContact O-N 3.02Å; L126-T128 VanDerWaalsContact C-N 3.25Å; L126-T128 PolarHBondContact O-N 2.92Å
127	N	41.3	Very low	58	Low	143 Å²	143	116.5 Å²	116.5	77%	0.765	59%	0.585	S	S	*	*			trans	-64.7	90.6	167.4	-78.4	7.1	0	0	0	108.6	Q129	N127-Q129 VanDerWaalsContact C-N 3.26Å; N127-Q129 HydrophobicContact CB-CG 4.2Å; N127-Q129 PolarHBondContact O-N 2.84Å
128	T	46.6	Very low	60.4	Low	124 Å²	124	112.1 Å²	112.1	76%	0.761	56%	0.559	S	S	*	*			trans	-57.1	103	143.6	-18	0	0	0	0	104.7	L126 N130	L126-T128 VanDerWaalsContact C-N 3.25Å; L126-T128 PolarHBondContact O-N 2.92Å; T128-N130 PolarHBondContact O-N 3.02Å; T128-N130 PolarHBondContact O-OD1 3.01Å
129	Q	58.6	Low	63.2	Low	98 Å²	98	108.6 Å²	108.6	46%	0.458	54%	0.537	S	S	.	.			trans	-73.9	99	178.2	-69.5	-161.8	-65.5	0	0	107.3	N127 K131	N127-Q129 VanDerWaalsContact C-N 3.26Å; N127-Q129 HydrophobicContact CB-CG 4.2Å; N127-Q129 PolarHBondContact O-N 2.84Å; Q129-K131 HydrophobicContact CB-CB 4.41Å; Q129-K131 HydrophobicContact CB-CD 4.08Å; Q129-K131 HydrophobicContact CB-CG 3.99Å; Q129-K131 PolarHBondContact O-N 2.83Å
130	N	76.1	Confident	66.1	Low	49 Å²	49	107.6 Å²	107.6	26%	0.262	52%	0.518	S	S	.	.			trans	-61.5	77.3	158.8	-62.4	13.1	0	0	0	106.7	T128 F212 G255	T128-N130 PolarHBondContact O-N 3.02Å; T128-N130 PolarHBondContact O-OD1 3.01Å; N130-F212 HydrophobicContact CB-CB 4.17Å; N130-F212 HydrophobicContact CB-CD1 4.14Å; N130-F212 HydrophobicContact CB-CG 4.35Å; N130-F212 WeakPolarHBondContact ND2-CD1 3.14Å; N130-F212 VanDerWaalsContact ND2-CG 3.29Å; N130-F212 WeakPolarHBondContact ND2-CG 3.47Å; N130-G255 WeakPolarHBondContact O-CA 3.35Å
131	K	87.8	Confident	69.1	Low	54 Å²	54	104.7 Å²	104.7	24%	0.235	48%	0.483	C	S	.	.	S	Bend	trans	-153.8	152.9	178.1	91.9	179.7	-170.1	-159.5	0	109.1	Q129 Y294	Q129-K131 HydrophobicContact CB-CB 4.41Å; Q129-K131 HydrophobicContact CB-CD 4.08Å; Q129-K131 HydrophobicContact CB-CG 3.99Å; Q129-K131 PolarHBondContact O-N 2.83Å; K131-Y294 WeakPolarHBondContact CA-OH 3.37Å; K131-Y294 HydrophobicContact CB-CE1 4.15Å
132	W	92.4	Very high	72	Confident	24 Å²	24	99.1 Å²	99.1	9%	0.091	46%	0.462	C	S	.	.			trans	-74.6	128.5	169	-68	105.7	0	0	0	111.8	K134 L137 D184 P213 A219 A253 Y294	W132-K134 WeakPolarHBondContact CB-O 3.33Å; W132-K134 PolarHBondContact O-N 2.88Å; W132-L137 HydrophobicContact CB-CD1 4.4Å; W132-L137 HydrophobicContact CB-CD2 4.07Å; W132-L137 VanDerWaalsContact CD1-CD1 3.49Å; W132-L137 HydrophobicContact CD2-CD1 4.45Å; W132-L137 HydrophobicContact CD2-CD2 3.59Å; W132-L137 HydrophobicContact CE3-CD2 4Å; W132-L137 HydrophobicContact CG-CD1 3.87Å; W132-L137 HydrophobicContact CG-CD2 3.63Å; W132-L137 HydrophobicContact CG-CG 4.39Å; W132-D184 HydrophobicContact CH2-CB 4.39Å; W132-D184 WeakPolarHBondContact CZ2-O 3.37Å; W132-P213 HydrophobicContact CD2-CB 3.9Å; W132-P213 HydrophobicContact CD2-CG 4.45Å; W132-P213 HydrophobicContact CE3-CB 4.48Å; W132-P213 HydrophobicContact CG-CB 4.04Å; W132-P213 HydrophobicContact CG-CG 4.28Å; W132-P213 HydrophobicContact CZ2-CB 4.35Å; W132-A219 HydrophobicContact CH2-CB 4.2Å; W132-A219 WeakPolarHBondContact CH2-O 3.43Å; W132-A253 PolarHBondContact NE1-O 3.07Å; W132-Y294 HydrophobicContact CB-CE1 4.34Å; W132-Y294 PolarHBondContact N-OH 3.23Å
133	N	91.6	Very high	74.7	Confident	146 Å²	146	89.2 Å²	89.2	78%	0.781	43%	0.431	S	S	*	.	S	Bend	trans	-74.4	-10.9	171.1	-72	-38.3	0	0	0	112.8
134	K	92.3	Very high	77.6	Confident	87 Å²	87	81.3 Å²	81.3	38%	0.378	40%	0.396	S	S	.	.			trans	-112.7	157.2	173.9	55.2	177.2	170	173.6	0	110.9	W132 L137 D184	W132-K134 WeakPolarHBondContact CB-O 3.33Å; W132-K134 PolarHBondContact O-N 2.88Å; K134-L137 HydrophobicContact CD-CD2 4.21Å; K134-L137 HydrophobicContact CG-CD2 3.9Å; K134-D184 VanDerWaalsContact CE-OD2 3.3Å; K134-D184 WeakPolarHBondContact CE-OD2 3.23Å; K134-D184 IonicContact NZ-OD1 2.58Å; K134-D184 PolarHBondContact NZ-OD1 3.13Å; K134-D184 IonicContact NZ-OD2 2.71Å; K134-D184 PolarHBondContact NZ-OD2 3.09Å
135	R	92.6	Very high	80.1	Confident	94 Å²	94	70.7 Å²	70.7	36%	0.355	36%	0.358	S	S	.	.	S	Bend	trans	-107	-15.7	-179.4	-54.9	-46.2	-165	108.8	-1.2	114.4	P172 L173 N174 Y294	R135-P172 WeakPolarHBondContact CD-O 3.4Å; R135-P172 PolarHBondContact NH1-O 3.32Å; R135-L173 CarbonylContact O-C 3.52Å; R135-L173 WeakPolarHBondContact O-CA 3.49Å; R135-N174 PolarHBondContact O-N 2.95Å; R135-Y294 VanDerWaalsContact CZ-O 3.32Å; R135-Y294 PolarHBondContact NH1-O 2.7Å; R135-Y294 PolarHBondContact NH2-O 3.35Å
136	H	94.3	Very high	82.3	Confident	119 Å²	119	72.4 Å²	72.4	55%	0.551	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.2	171.7	-60.9	95.3	0	0	0	107.2	N174	H136-N174 WeakPolarHBondContact CA-O 3.45Å; H136-N174 PolarHBondContact NE2-ND2 3.4Å
137	L	95.2	Very high	83.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.2	-176.2	-63	172.5	0	0	0	109	W132 K134 L173 N174 F175 H176 D184	W132-L137 HydrophobicContact CB-CD1 4.4Å; W132-L137 HydrophobicContact CB-CD2 4.07Å; W132-L137 VanDerWaalsContact CD1-CD1 3.49Å; W132-L137 HydrophobicContact CD2-CD1 4.45Å; W132-L137 HydrophobicContact CD2-CD2 3.59Å; W132-L137 HydrophobicContact CE3-CD2 4Å; W132-L137 HydrophobicContact CG-CD1 3.87Å; W132-L137 HydrophobicContact CG-CD2 3.63Å; W132-L137 HydrophobicContact CG-CG 4.39Å; K134-L137 HydrophobicContact CD-CD2 4.21Å; K134-L137 HydrophobicContact CG-CD2 3.9Å; L137-L173 HydrophobicContact CD1-CD2 4.31Å; L137-N174 PolarHBondContact N-O 3.22Å; L137-F175 HydrophobicContact CB-CD1 3.86Å; L137-F175 HydrophobicContact CB-CE1 4.08Å; L137-F175 HydrophobicContact CD1-CD1 4.26Å; L137-F175 HydrophobicContact CD1-CE1 3.61Å; L137-F175 HydrophobicContact CD1-CZ 4.33Å; L137-F175 HydrophobicContact CG-CE1 4.44Å; L137-F175 WeakPolarHBondContact O-CA 3.46Å; L137-H176 PolarHBondContact O-CE1 2.91Å; L137-H176 PolarHBondContact O-N 2.84Å; L137-H176 PolarHBondContact O-ND1 2.88Å; L137-D184 WeakPolarHBondContact CA-OD2 3.2Å; L137-D184 HydrophobicContact CB-CB 4.44Å; L137-D184 HydrophobicContact CD2-CB 4.15Å
138	S	94.7	Very high	84.7	Confident	13 Å²	13	61.3 Å²	61.3	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	143	172.7	51.5	0	0	0	0	110.6	H176 A183 D184 I185	S138-H176 CarbonylContact C-O 3.59Å; S138-H176 VanDerWaalsContact CA-CE1 3.48Å; S138-H176 WeakPolarHBondContact CA-CE1 3.05Å; S138-H176 WeakPolarHBondContact CA-O 3.44Å; S138-H176 PolarHBondContact N-CE1 2.7Å; S138-A183 WeakPolarHBondContact OG-CA 3.43Å; S138-D184 PolarHBondContact N-OD2 3.26Å; S138-D184 CarbonylContact O-C 3.58Å; S138-D184 WeakPolarHBondContact O-CA 3.45Å; S138-D184 WeakPolarHBondContact O-CB 3.29Å; S138-D184 PolarHBondContact O-N 2.88Å; S138-D184 VanDerWaalsContact OG-CG 3.32Å; S138-D184 PolarHBondContact OG-N 2.96Å; S138-D184 PolarHBondContact OG-OD2 3.01Å; S138-I185 PolarHBondContact O-N 3.28Å
139	W	96.2	Very high	85.1	Confident	4 Å²	4	60 Å²	60	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.6	175.1	65.4	-82.8	0	0	0	111.5	V141 M160 Y161 L164 H176 E177 V178 I185 I187	W139-V141 HydrophobicContact CZ3-CG2 4.02Å; W139-M160 HydrophobicContact CE3-CB 4.35Å; W139-M160 HydrophobicContact CH2-CB 4.23Å; W139-M160 HydrophobicContact CZ3-CB 3.72Å; W139-Y161 HydrophobicContact CZ2-CD2 4.21Å; W139-L164 HydrophobicContact CB-CD1 3.97Å; W139-L164 HydrophobicContact CD2-CD1 3.47Å; W139-L164 VanDerWaalsContact CD2-CD1 3.47Å; W139-L164 HydrophobicContact CE3-CD1 4.09Å; W139-L164 HydrophobicContact CG-CD1 3.4Å; W139-L164 VanDerWaalsContact CG-CD1 3.4Å; W139-L164 HydrophobicContact CZ2-CD1 4.48Å; W139-H176 PolarHBondContact N-O 2.94Å; W139-E177 HydrophobicContact CD2-CB 4.18Å; W139-E177 HydrophobicContact CD2-CG 4.01Å; W139-E177 HydrophobicContact CE3-CG 3.96Å; W139-E177 HydrophobicContact CH2-CB 4.14Å; W139-E177 HydrophobicContact CH2-CG 3.83Å; W139-E177 HydrophobicContact CZ2-CB 3.67Å; W139-E177 HydrophobicContact CZ2-CG 3.87Å; W139-E177 HydrophobicContact CZ3-CG 3.88Å; W139-E177 CarbonylContact O-C 3.56Å; W139-E177 VanDerWaalsContact O-CA 3.28Å; W139-E177 WeakPolarHBondContact O-CA 3.04Å; W139-V178 PolarHBondContact O-N 2.86Å; W139-I185 VanDerWaalsContact CA-O 3.23Å; W139-I185 WeakPolarHBondContact CA-O 3.45Å; W139-I185 HydrophobicContact CB-CB 4.01Å; W139-I185 HydrophobicContact CB-CG2 4.35Å; W139-I187 HydrophobicContact CE3-CD1 3.81Å; W139-I187 HydrophobicContact CZ3-CD1 4.43Å
140	R	93.9	Very high	85.1	Confident	52 Å²	52	62 Å²	62	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	145.5	172.1	73	-172.5	-169.2	119.2	4.7	112.9	R142 V178 G180 S181 A183 I185 I187	R140-R142 HydrophobicContact CG-CG 4.39Å; R140-V178 HydrophobicContact CB-CG2 4.37Å; R140-V178 VanDerWaalsContact CB-O 3.27Å; R140-V178 WeakPolarHBondContact CB-O 3.34Å; R140-G180 WeakPolarHBondContact CD-O 3.07Å; R140-G180 VanDerWaalsContact CZ-O 3.25Å; R140-G180 PolarHBondContact NE-O 3.31Å; R140-G180 PolarHBondContact NH1-O 2.87Å; R140-S181 PolarHBondContact NE-O 2.83Å; R140-S181 PolarHBondContact NH2-O 3.42Å; R140-A183 HydrophobicContact CB-CB 4.33Å; R140-A183 HydrophobicContact CG-CB 3.81Å; R140-I185 PolarHBondContact N-O 2.95Å; R140-I185 VanDerWaalsContact N-O 3.1Å; R140-I187 PolarHBondContact O-N 2.89Å
141	V	94.9	Very high	85.1	Confident	19 Å²	19	60.5 Å²	60.5	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.2	169.4	-172.5	0	0	0	0	109.3	W139 T143 F144 V156 R157 M160 I187	W139-V141 HydrophobicContact CZ3-CG2 4.02Å; V141-T143 WeakPolarHBondContact CG1-O 3.14Å; V141-F144 HydrophobicContact CB-CE1 4.18Å; V141-F144 HydrophobicContact CB-CE2 4.16Å; V141-F144 HydrophobicContact CB-CZ 3.75Å; V141-F144 HydrophobicContact CG1-CD1 3.92Å; V141-F144 HydrophobicContact CG1-CD2 3.99Å; V141-F144 HydrophobicContact CG1-CE1 3.59Å; V141-F144 HydrophobicContact CG1-CE2 3.65Å; V141-F144 HydrophobicContact CG1-CG 4.13Å; V141-F144 HydrophobicContact CG1-CZ 3.44Å; V141-F144 VanDerWaalsContact CG1-CZ 3.44Å; V141-V156 HydrophobicContact CG1-CG1 4.36Å; V141-R157 HydrophobicContact CB-CG 4.43Å; V141-R157 HydrophobicContact CG2-CG 4.09Å; V141-M160 HydrophobicContact CG2-CB 4.4Å; V141-M160 HydrophobicContact CG2-CG 3.99Å; V141-I187 HydrophobicContact CG1-CG2 4.33Å; V141-I187 HydrophobicContact CG2-CB 4.33Å; V141-I187 HydrophobicContact CG2-CD1 4.2Å; V141-I187 HydrophobicContact CG2-CG2 4.29Å
142	R	92.7	Very high	84.8	Confident	109 Å²	109	59.8 Å²	59.8	41%	0.411	31%	0.309	S	S	.	.			trans	-89.7	-64.2	-177.7	-88.5	168.3	44.4	177.7	-23.6	111.7	R140 Q186 I187 D188	R140-R142 HydrophobicContact CG-CG 4.39Å; R142-Q186 VanDerWaalsContact CD-OE1 3.25Å; R142-I187 PolarHBondContact N-O 3.29Å; R142-D188 WeakPolarHBondContact CB-OD1 3.18Å; R142-D188 WeakPolarHBondContact CB-OD2 3.38Å; R142-D188 WeakPolarHBondContact CD-OD2 3.29Å; R142-D188 VanDerWaalsContact CZ-CG 3.49Å; R142-D188 IonicContact CZ-OD1 3.57Å; R142-D188 IonicContact CZ-OD2 3.28Å; R142-D188 VanDerWaalsContact NE-CG 3.25Å; R142-D188 IonicContact NE-OD1 3.66Å; R142-D188 PolarHBondContact NE-OD1 3.11Å; R142-D188 IonicContact NE-OD2 3.66Å; R142-D188 PolarHBondContact NE-OD2 2.86Å; R142-D188 IonicContact NH1-OD2 3.83Å; R142-D188 IonicContact NH2-OD1 2.88Å; R142-D188 PolarHBondContact NH2-OD1 2.96Å; R142-D188 IonicContact NH2-OD2 3.76Å; R142-D188 PolarHBondContact NH2-OD2 2.93Å
143	T	92.8	Very high	84.6	Confident	48 Å²	48	66.1 Å²	66.1	29%	0.294	33%	0.333	S	S	.	.	S	Bend	trans	-101.8	164.8	171	60.1	0	0	0	0	109.7	V141 D188 F189	V141-T143 WeakPolarHBondContact CG1-O 3.14Å; T143-D188 WeakPolarHBondContact OG1-CA 3.26Å; T143-F189 WeakPolarHBondContact O-CD2 3.43Å; T143-F189 PolarHBondContact OG1-N 3.06Å; T143-F189 PolarHBondContact OG1-O 2.68Å
144	F	92.4	Very high	84.3	Confident	26 Å²	26	64.5 Å²	64.5	11%	0.114	32%	0.324	C	S	.	.			trans	-134	151.7	-175.5	-73.1	-100.4	0	0	0	107.6	V141 K146 R153 V156 R157	V141-F144 HydrophobicContact CB-CE1 4.18Å; V141-F144 HydrophobicContact CB-CE2 4.16Å; V141-F144 HydrophobicContact CB-CZ 3.75Å; V141-F144 HydrophobicContact CG1-CD1 3.92Å; V141-F144 HydrophobicContact CG1-CD2 3.99Å; V141-F144 HydrophobicContact CG1-CE1 3.59Å; V141-F144 HydrophobicContact CG1-CE2 3.65Å; V141-F144 HydrophobicContact CG1-CG 4.13Å; V141-F144 HydrophobicContact CG1-CZ 3.44Å; V141-F144 VanDerWaalsContact CG1-CZ 3.44Å; F144-K146 PolarHBondContact O-N 2.56Å; F144-R153 HydrophobicContact CB-CG 4.47Å; F144-R153 HydrophobicContact CD1-CB 3.84Å; F144-R153 HydrophobicContact CD1-CG 3.65Å; F144-R153 HydrophobicContact CE1-CB 3.65Å; F144-R153 HydrophobicContact CE1-CG 3.92Å; F144-R153 WeakPolarHBondContact CE1-O 3.37Å; F144-R153 HydrophobicContact CG-CG 3.97Å; F144-R153 HydrophobicContact CZ-CB 4.3Å; F144-R153 HydrophobicContact CZ-CG 4.48Å; F144-V156 HydrophobicContact CD1-CB 4.06Å; F144-V156 HydrophobicContact CD1-CG1 4.03Å; F144-V156 HydrophobicContact CD1-CG2 4.48Å; F144-V156 HydrophobicContact CE1-CB 4.24Å; F144-V156 HydrophobicContact CE1-CG1 4.24Å; F144-R157 HydrophobicContact CE1-CG 4Å; F144-R157 HydrophobicContact CZ-CG 4.1Å
145	P	89.5	Confident	84.2	Confident	17 Å²	17	62 Å²	62	11%	0.11	32%	0.317	C	S	.	.			trans	-60.9	131.7	-178.9	25.4	-33.3	0	0	0	110.1	S148 V156 F189 D226	P145-S148 WeakPolarHBondContact CB-OG 3.25Å; P145-V156 HydrophobicContact CG-CG2 4.05Å; P145-F189 HydrophobicContact CB-CD1 3.76Å; P145-F189 HydrophobicContact CB-CE1 4.02Å; P145-F189 HydrophobicContact CB-CG 4.29Å; P145-F189 HydrophobicContact CG-CD1 4.13Å; P145-F189 HydrophobicContact CG-CE1 3.97Å; P145-F189 HydrophobicContact CG-CZ 4.29Å; P145-D226 VanDerWaalsContact CA-OD1 3.29Å; P145-D226 WeakPolarHBondContact CA-OD1 3.12Å
146	K	79.2	Confident	84.2	Confident	142 Å²	142	57.6 Å²	57.6	62%	0.617	30%	0.3	S	S	*	.	S	Bend	trans	-94.5	-36.2	-173.3	-55.5	-175.1	-162.1	85.1	0	111.8	F144 D226	F144-K146 PolarHBondContact O-N 2.56Å; K146-D226 PolarHBondContact N-OD1 2.71Å; K146-D226 IonicContact NZ-OD2 3.7Å; K146-D226 PolarHBondContact NZ-OD2 2.94Å
147	D	61.9	Low	84.1	Confident	52 Å²	52	56.7 Å²	56.7	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	-91.6	-17	-178.9	-78.4	-66.1	0	0	0	113.3	A149 K191 R379	D147-A149 VanDerWaalsContact C-N 3.28Å; D147-A149 PolarHBondContact O-N 3.34Å; D147-K191 IonicContact OD2-NZ 3.62Å; D147-K191 PolarHBondContact OD2-NZ 2.93Å; D147-R379 PolarHBondContact O-NH2 3.38Å; D147-R379 IonicContact OD1-CZ 2.75Å; D147-R379 IonicContact OD1-NE 3.1Å; D147-R379 PolarHBondContact OD1-NE 3.49Å; D147-R379 IonicContact OD1-NH2 2.72Å
148	S	62.6	Low	83.8	Confident	10 Å²	10	56.8 Å²	56.8	7%	0.07	29%	0.293	C	S	.	.			trans	-81.6	66.4	-179.6	-40.9	0	0	0	0	112.3	P145 L150 L151 W230	P145-S148 WeakPolarHBondContact CB-OG 3.25Å; S148-L150 PolarHBondContact O-N 2.74Å; S148-L151 PolarHBondContact O-N 3.5Å; S148-W230 WeakPolarHBondContact OG-CB 3.37Å
149	A	55.2	Low	83.8	Confident	97 Å²	97	56.2 Å²	56.2	80%	0.802	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-8.9	-174.3	0	0	0	0	0	116.1	D147	D147-A149 VanDerWaalsContact C-N 3.28Å; D147-A149 PolarHBondContact O-N 3.34Å
150	L	59.1	Low	83.8	Confident	139 Å²	139	56 Å²	56	73%	0.728	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-17.2	175.4	-60.2	176.2	0	0	0	113.5	S148 T231	S148-L150 PolarHBondContact O-N 2.74Å; L150-T231 HydrophobicContact CD1-CG2 4.43Å
151	L	76.8	Confident	83.9	Confident	19 Å²	19	55.8 Å²	55.8	10%	0.099	29%	0.287	C	S	.	.			trans	-107.8	101.1	-175.1	-63.8	-176.2	0	0	0	111.7	S148 T155 V156 L159 W230 F232 L242	S148-L151 PolarHBondContact O-N 3.5Å; L151-T155 HydrophobicContact CD2-CG2 4.14Å; L151-V156 HydrophobicContact CB-CG2 3.96Å; L151-L159 HydrophobicContact CD2-CD1 4.42Å; L151-W230 HydrophobicContact CD1-CB 3.65Å; L151-F232 HydrophobicContact CD2-CB 3.76Å; L151-L242 HydrophobicContact CD1-CB 4.23Å; L151-L242 HydrophobicContact CD1-CD2 3.73Å
152	G	81	Confident	84	Confident	38 Å²	38	55.8 Å²	55.8	39%	0.392	29%	0.285	S	S	.	.			trans	-63.7	154.1	170.1	0	0	0	0	0	112.1	D154 T155 V156	G152-D154 PolarHBondContact O-N 3.16Å; G152-T155 WeakPolarHBondContact O-CA 3Å; G152-T155 VanDerWaalsContact O-CB 3.27Å; G152-T155 WeakPolarHBondContact O-CB 3.39Å; G152-T155 PolarHBondContact O-N 2.86Å; G152-V156 PolarHBondContact O-N 3.33Å
153	R	88.9	Confident	84.2	Confident	157 Å²	157	50.6 Å²	50.6	59%	0.592	27%	0.266	S	S	*	.	H	α-helix	trans	-56.3	-39	-178.9	-67.6	-173.5	173.6	-119.7	1.3	112.9	F144 V156 R157	F144-R153 HydrophobicContact CB-CG 4.47Å; F144-R153 HydrophobicContact CD1-CB 3.84Å; F144-R153 HydrophobicContact CD1-CG 3.65Å; F144-R153 HydrophobicContact CE1-CB 3.65Å; F144-R153 HydrophobicContact CE1-CG 3.92Å; F144-R153 WeakPolarHBondContact CE1-O 3.37Å; F144-R153 HydrophobicContact CG-CG 3.97Å; F144-R153 HydrophobicContact CZ-CB 4.3Å; F144-R153 HydrophobicContact CZ-CG 4.48Å; R153-V156 PolarHBondContact O-N 2.91Å; R153-R157 WeakPolarHBondContact O-CG 3.27Å; R153-R157 PolarHBondContact O-N 2.68Å
154	D	84.9	Confident	84.4	Confident	112 Å²	112	48.4 Å²	48.4	60%	0.599	25%	0.252	S	S	*	.	H	α-helix	trans	-70.9	-36	178.8	-51	-57.3	0	0	0	111.4	G152 R157 A158	G152-D154 PolarHBondContact O-N 3.16Å; D154-R157 PolarHBondContact O-N 3.04Å; D154-A158 WeakPolarHBondContact O-CB 3.49Å; D154-A158 PolarHBondContact O-N 2.84Å
155	T	88.6	Confident	84.5	Confident	36 Å²	36	50.1 Å²	50.1	22%	0.221	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-50.2	169.5	-44.4	0	0	0	0	110.5	L151 G152 R157 A158 L159 F232	L151-T155 HydrophobicContact CD2-CG2 4.14Å; G152-T155 WeakPolarHBondContact O-CA 3Å; G152-T155 VanDerWaalsContact O-CB 3.27Å; G152-T155 WeakPolarHBondContact O-CB 3.39Å; G152-T155 PolarHBondContact O-N 2.86Å; T155-R157 PolarHBondContact O-N 2.88Å; T155-A158 PolarHBondContact O-N 3.14Å; T155-L159 HydrophobicContact CG2-CD1 4.1Å; T155-L159 HydrophobicContact CG2-CG 4.46Å; T155-L159 VanDerWaalsContact O-CG 3.25Å; T155-L159 WeakPolarHBondContact O-CG 3.42Å; T155-L159 PolarHBondContact O-N 2.92Å; T155-F232 HydrophobicContact CG2-CD1 4.18Å
156	V	93.3	Very high	84.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-47.9	177.6	174.5	0	0	0	0	111.1	V141 F144 P145 L151 G152 R153 A158 L159 M160 F189 L242	V141-V156 HydrophobicContact CG1-CG1 4.36Å; F144-V156 HydrophobicContact CD1-CB 4.06Å; F144-V156 HydrophobicContact CD1-CG1 4.03Å; F144-V156 HydrophobicContact CD1-CG2 4.48Å; F144-V156 HydrophobicContact CE1-CB 4.24Å; F144-V156 HydrophobicContact CE1-CG1 4.24Å; P145-V156 HydrophobicContact CG-CG2 4.05Å; L151-V156 HydrophobicContact CB-CG2 3.96Å; G152-V156 PolarHBondContact O-N 3.33Å; R153-V156 PolarHBondContact O-N 2.91Å; V156-A158 PolarHBondContact O-N 3.13Å; V156-L159 PolarHBondContact O-N 3.03Å; V156-M160 HydrophobicContact CG1-CG 4.46Å; V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.44Å; V156-M160 PolarHBondContact O-N 3.02Å; V156-F189 HydrophobicContact CG1-CE2 3.97Å; V156-F189 HydrophobicContact CG1-CZ 4.11Å; V156-L242 HydrophobicContact CG1-CD2 4.3Å; V156-L242 HydrophobicContact CG2-CD2 4.17Å
157	R	91.8	Very high	85.7	Confident	101 Å²	101	43.1 Å²	43.1	38%	0.381	23%	0.228	S	C	.	.	H	α-helix	trans	-62.5	-40	177.9	-71.2	172.5	74.9	-174.5	-0.9	112.7	V141 F144 R153 D154 T155 M160 Y161 E177	V141-R157 HydrophobicContact CB-CG 4.43Å; V141-R157 HydrophobicContact CG2-CG 4.09Å; F144-R157 HydrophobicContact CE1-CG 4Å; F144-R157 HydrophobicContact CZ-CG 4.1Å; R153-R157 WeakPolarHBondContact O-CG 3.27Å; R153-R157 PolarHBondContact O-N 2.68Å; D154-R157 PolarHBondContact O-N 3.04Å; T155-R157 PolarHBondContact O-N 2.88Å; R157-M160 PolarHBondContact O-N 2.8Å; R157-Y161 WeakPolarHBondContact O-CB 3.48Å; R157-Y161 PolarHBondContact O-N 3.36Å; R157-E177 IonicContact CZ-OE1 3.75Å; R157-E177 IonicContact CZ-OE2 3.87Å; R157-E177 IonicContact NE-OE1 3.56Å; R157-E177 PolarHBondContact NE-OE1 2.98Å; R157-E177 IonicContact NE-OE2 3.87Å; R157-E177 PolarHBondContact NE-OE2 2.76Å; R157-E177 IonicContact NH2-OE1 2.76Å; R157-E177 PolarHBondContact NH2-OE1 3.04Å; R157-E177 IonicContact NH2-OE2 2.83Å; R157-E177 PolarHBondContact NH2-OE2 3.43Å
158	A	89	Confident	87.3	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-45.7	173.9	0	0	0	0	0	111.4	D154 T155 V156 M160 Y161 Y162 L318	D154-A158 WeakPolarHBondContact O-CB 3.49Å; D154-A158 PolarHBondContact O-N 2.84Å; T155-A158 PolarHBondContact O-N 3.14Å; V156-A158 PolarHBondContact O-N 3.13Å; A158-M160 PolarHBondContact O-N 3.1Å; A158-Y161 WeakPolarHBondContact O-CB 3.48Å; A158-Y161 PolarHBondContact O-N 3.16Å; A158-Y162 WeakPolarHBondContact O-CD2 3.39Å; A158-Y162 PolarHBondContact O-N 3.46Å; A158-L318 HydrophobicContact CB-CD2 3.8Å; A158-L318 HydrophobicContact CB-CG 4.14Å
159	L	95.1	Very high	88.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-41	178.6	-62.8	170.5	0	0	0	112.2	L151 T155 V156 Y162 A163 F232 L242 F243 P277 L318	L151-L159 HydrophobicContact CD2-CD1 4.42Å; T155-L159 HydrophobicContact CG2-CD1 4.1Å; T155-L159 HydrophobicContact CG2-CG 4.46Å; T155-L159 VanDerWaalsContact O-CG 3.25Å; T155-L159 WeakPolarHBondContact O-CG 3.42Å; T155-L159 PolarHBondContact O-N 2.92Å; V156-L159 PolarHBondContact O-N 3.03Å; L159-Y162 PolarHBondContact O-N 2.97Å; L159-A163 VanDerWaalsContact O-CB 3.31Å; L159-A163 WeakPolarHBondContact O-CB 3.37Å; L159-A163 PolarHBondContact O-N 3.47Å; L159-F232 HydrophobicContact CD1-CB 3.74Å; L159-F232 HydrophobicContact CD1-CD1 4.28Å; L159-F232 HydrophobicContact CD1-CD2 4.17Å; L159-F232 HydrophobicContact CD1-CG 3.79Å; L159-F232 HydrophobicContact CD2-CB 4.42Å; L159-F232 HydrophobicContact CD2-CD1 3.87Å; L159-F232 HydrophobicContact CD2-CD2 3.31Å; L159-F232 HydrophobicContact CD2-CE1 3.87Å; L159-F232 HydrophobicContact CD2-CE2 3.33Å; L159-F232 HydrophobicContact CD2-CG 3.58Å; L159-F232 HydrophobicContact CD2-CZ 3.6Å; L159-F232 HydrophobicContact CG-CD2 4.38Å; L159-F232 HydrophobicContact CG-CG 4.29Å; L159-L242 HydrophobicContact CD1-CB 4.38Å; L159-L242 HydrophobicContact CD1-CD2 4.18Å; L159-F243 HydrophobicContact CD2-CB 4.15Å; L159-P277 HydrophobicContact CD2-CG 4.22Å; L159-L318 HydrophobicContact CD2-CD2 4.2Å
160	M	97.3	Very high	90.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-45.2	173.2	-63.3	-59	131.4	0	0	111.6	W139 V141 V156 R157 A158 Y162 A163 L164 I187 F189 F224 L242 A246 F250	W139-M160 HydrophobicContact CE3-CB 4.35Å; W139-M160 HydrophobicContact CH2-CB 4.23Å; W139-M160 HydrophobicContact CZ3-CB 3.72Å; V141-M160 HydrophobicContact CG2-CB 4.4Å; V141-M160 HydrophobicContact CG2-CG 3.99Å; V156-M160 HydrophobicContact CG1-CG 4.46Å; V156-M160 VanDerWaalsContact O-CG 3.31Å; V156-M160 WeakPolarHBondContact O-CG 3.44Å; V156-M160 PolarHBondContact O-N 3.02Å; R157-M160 PolarHBondContact O-N 2.8Å; A158-M160 PolarHBondContact O-N 3.1Å; M160-Y162 PolarHBondContact O-N 3.05Å; M160-A163 PolarHBondContact O-N 2.96Å; M160-L164 WeakPolarHBondContact O-CB 3.14Å; M160-L164 WeakPolarHBondContact O-CG 3.42Å; M160-L164 PolarHBondContact O-N 3.3Å; M160-I187 HydrophobicContact CB-CD1 4.13Å; M160-I187 HydrophobicContact CG-CD1 4.06Å; M160-I187 HydrophobicContact CG-CG2 4.42Å; M160-I187 HydrophobicContact SD-CD1 4.14Å; M160-I187 HydrophobicContact SD-CG2 4.05Å; M160-F189 HydrophobicContact CE-CZ 4.38Å; M160-F224 HydrophobicContact CE-CE1 4.46Å; M160-F224 HydrophobicContact CE-CE2 4.07Å; M160-F224 HydrophobicContact CE-CZ 3.85Å; M160-F224 HydrophobicContact SD-CE2 3.98Å; M160-F224 HydrophobicContact SD-CZ 3.98Å; M160-L242 HydrophobicContact CE-CD1 3.61Å; M160-L242 HydrophobicContact CE-CD2 3.81Å; M160-L242 HydrophobicContact CE-CG 3.59Å; M160-A246 HydrophobicContact CE-CB 3.83Å; M160-A246 HydrophobicContact SD-CB 3.99Å; M160-F250 HydrophobicContact CB-CE2 4.39Å; M160-F250 HydrophobicContact CB-CZ 4.38Å; M160-F250 HydrophobicContact CG-CZ 4.5Å; M160-F250 HydrophobicContact SD-CE2 3.8Å; M160-F250 HydrophobicContact SD-CZ 3.51Å; M160-F250 VanDerWaalsContact SD-CZ 3.51Å
161	Y	95.6	Very high	91.8	Very high	47 Å²	47	33.8 Å²	33.8	18%	0.184	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-48.7	174	169.7	-92.6	0	0	0	111.9	W139 R157 A158 L164 K165 P315 P316	W139-Y161 HydrophobicContact CZ2-CD2 4.21Å; R157-Y161 WeakPolarHBondContact O-CB 3.48Å; R157-Y161 PolarHBondContact O-N 3.36Å; A158-Y161 WeakPolarHBondContact O-CB 3.48Å; A158-Y161 PolarHBondContact O-N 3.16Å; Y161-L164 PolarHBondContact O-N 2.92Å; Y161-K165 HydrophobicContact CE1-CD 4.15Å; Y161-K165 VanDerWaalsContact O-CB 3.29Å; Y161-K165 WeakPolarHBondContact O-CB 3.21Å; Y161-K165 PolarHBondContact O-N 2.92Å; Y161-P315 HydrophobicContact CE1-CB 4.01Å; Y161-P316 HydrophobicContact CD1-CG 3.6Å; Y161-P316 HydrophobicContact CD2-CG 4.09Å; Y161-P316 HydrophobicContact CE1-CG 4.2Å; Y161-P316 HydrophobicContact CG-CG 3.55Å
162	Y	95.7	Very high	92.7	Very high	20 Å²	20	34.6 Å²	34.6	8%	0.078	17%	0.172	C	C	.	.	H	α-helix	trans	-69.6	-36.3	-178.6	-79.9	-74.3	0	0	0	112.4	A158 L159 M160 K165 V166 P277 L278 L318	A158-Y162 WeakPolarHBondContact O-CD2 3.39Å; A158-Y162 PolarHBondContact O-N 3.46Å; L159-Y162 PolarHBondContact O-N 2.97Å; M160-Y162 PolarHBondContact O-N 3.05Å; Y162-K165 HydrophobicContact CD1-CD 3.87Å; Y162-K165 HydrophobicContact CE1-CD 3.98Å; Y162-K165 WeakPolarHBondContact O-CB 3.42Å; Y162-K165 PolarHBondContact O-N 2.92Å; Y162-K165 VanDerWaalsContact O-N 3.16Å; Y162-V166 WeakPolarHBondContact O-CG2 3.36Å; Y162-V166 PolarHBondContact O-N 2.85Å; Y162-P277 HydrophobicContact CG-CB 4.15Å; Y162-L278 HydrophobicContact CD1-CD2 4.2Å; Y162-L278 HydrophobicContact CE1-CD2 3.43Å; Y162-L278 VanDerWaalsContact CE1-CD2 3.43Å; Y162-L278 HydrophobicContact CE2-CD2 4.44Å; Y162-L318 HydrophobicContact CD2-CD1 3.64Å; Y162-L318 HydrophobicContact CD2-CG 3.83Å; Y162-L318 HydrophobicContact CE2-CB 4.46Å; Y162-L318 HydrophobicContact CE2-CD1 3.62Å; Y162-L318 HydrophobicContact CE2-CG 3.62Å; Y162-L318 HydrophobicContact CG-CD1 4.34Å
163	A	98	Very high	93.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-37.1	175.5	0	0	0	0	0	112.5	L159 M160 F243 A246 V247 F250	L159-A163 VanDerWaalsContact O-CB 3.31Å; L159-A163 WeakPolarHBondContact O-CB 3.37Å; L159-A163 PolarHBondContact O-N 3.47Å; M160-A163 PolarHBondContact O-N 2.96Å; A163-F243 HydrophobicContact CB-CD2 3.99Å; A163-F243 HydrophobicContact CB-CE2 4.13Å; A163-A246 HydrophobicContact CB-CB 3.6Å; A163-V247 HydrophobicContact CB-CG2 3.74Å; A163-F250 HydrophobicContact CB-CD2 3.7Å; A163-F250 HydrophobicContact CB-CE2 3.86Å
164	L	97.6	Very high	93.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-68.7	-38.3	168.9	-68.7	170.2	0	0	0	111.8	W139 M160 Y161 V166 W167 S168 F175 I185 F250	W139-L164 HydrophobicContact CB-CD1 3.97Å; W139-L164 HydrophobicContact CD2-CD1 3.47Å; W139-L164 VanDerWaalsContact CD2-CD1 3.47Å; W139-L164 HydrophobicContact CE3-CD1 4.09Å; W139-L164 HydrophobicContact CG-CD1 3.4Å; W139-L164 VanDerWaalsContact CG-CD1 3.4Å; W139-L164 HydrophobicContact CZ2-CD1 4.48Å; M160-L164 WeakPolarHBondContact O-CB 3.14Å; M160-L164 WeakPolarHBondContact O-CG 3.42Å; M160-L164 PolarHBondContact O-N 3.3Å; Y161-L164 PolarHBondContact O-N 2.92Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 2.95Å; L164-W167 PolarHBondContact O-N 2.8Å; L164-S168 PolarHBondContact O-N 2.83Å; L164-S168 VanDerWaalsContact O-N 3.12Å; L164-F175 HydrophobicContact CB-CB 4.19Å; L164-F175 HydrophobicContact CB-CD1 4.41Å; L164-F175 HydrophobicContact CB-CD2 3.76Å; L164-F175 HydrophobicContact CB-CE2 4.21Å; L164-F175 HydrophobicContact CB-CG 3.87Å; L164-F175 HydrophobicContact CD1-CB 4.31Å; L164-F175 HydrophobicContact CD1-CD1 4.41Å; L164-F175 HydrophobicContact CD1-CG 4.36Å; L164-F175 HydrophobicContact CD2-CD1 3.84Å; L164-F175 HydrophobicContact CD2-CD2 4.44Å; L164-F175 HydrophobicContact CD2-CE1 3.78Å; L164-F175 HydrophobicContact CD2-CE2 4.4Å; L164-F175 HydrophobicContact CD2-CG 4.17Å; L164-F175 HydrophobicContact CD2-CZ 4.08Å; L164-F175 HydrophobicContact CG-CD1 4.45Å; L164-F175 HydrophobicContact CG-CG 4.36Å; L164-F175 WeakPolarHBondContact O-CD2 3.16Å; L164-F175 WeakPolarHBondContact O-CE2 3.48Å; L164-I185 HydrophobicContact CD2-CD1 4.12Å; L164-F250 HydrophobicContact CD1-CE2 4.35Å; L164-F250 HydrophobicContact CD1-CZ 4.47Å; L164-F250 HydrophobicContact CD2-CB 3.9Å; L164-F250 HydrophobicContact CD2-CD1 3.78Å; L164-F250 HydrophobicContact CD2-CD2 3.53Å; L164-F250 HydrophobicContact CD2-CE1 4.17Å; L164-F250 HydrophobicContact CD2-CE2 3.94Å; L164-F250 HydrophobicContact CD2-CG 3.45Å; L164-F250 VanDerWaalsContact CD2-CG 3.45Å; L164-F250 HydrophobicContact CD2-CZ 4.25Å; L164-F250 HydrophobicContact CG-CD2 3.61Å; L164-F250 HydrophobicContact CG-CE2 3.65Å; L164-F250 HydrophobicContact CG-CG 4.08Å; L164-F250 HydrophobicContact CG-CZ 4.16Å
165	K	94.4	Very high	94.1	Very high	63 Å²	63	24.2 Å²	24.2	27%	0.274	12%	0.118	S	C	.	.	H	α-helix	trans	-58.9	-44.8	179.7	-170	-166.4	179.2	-57.5	0	111.5	Y161 Y162 W167 S168 D169	Y161-K165 HydrophobicContact CE1-CD 4.15Å; Y161-K165 VanDerWaalsContact O-CB 3.29Å; Y161-K165 WeakPolarHBondContact O-CB 3.21Å; Y161-K165 PolarHBondContact O-N 2.92Å; Y162-K165 HydrophobicContact CD1-CD 3.87Å; Y162-K165 HydrophobicContact CE1-CD 3.98Å; Y162-K165 WeakPolarHBondContact O-CB 3.42Å; Y162-K165 PolarHBondContact O-N 2.92Å; Y162-K165 VanDerWaalsContact O-N 3.16Å; K165-W167 VanDerWaalsContact C-N 3.28Å; K165-W167 PolarHBondContact O-N 2.9Å; K165-S168 WeakPolarHBondContact CA-OG 3.35Å; K165-S168 CarbonylContact O-C 3.46Å; K165-S168 WeakPolarHBondContact O-CA 3.15Å; K165-S168 WeakPolarHBondContact O-CB 3.14Å; K165-S168 PolarHBondContact O-N 3.23Å; K165-S168 PolarHBondContact O-OG 3.35Å; K165-D169 IonicContact NZ-OD1 3.19Å; K165-D169 PolarHBondContact NZ-OD1 3.13Å; K165-D169 IonicContact NZ-OD2 3.07Å; K165-D169 PolarHBondContact NZ-OD2 3.08Å; K165-D169 PolarHBondContact O-N 3.35Å
166	V	96.3	Very high	94.2	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.067	13%	0.128	C	C	.	.	H	α-helix	trans	-49.2	-45.7	177.1	162.9	0	0	0	0	112.4	Y162 L164 F243 V247 Y280 L282	Y162-V166 WeakPolarHBondContact O-CG2 3.36Å; Y162-V166 PolarHBondContact O-N 2.85Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 2.95Å; V166-F243 HydrophobicContact CG2-CE2 4.2Å; V166-F243 HydrophobicContact CG2-CZ 3.88Å; V166-V247 HydrophobicContact CG1-CG1 4.08Å; V166-V247 HydrophobicContact CG1-CG2 4.46Å; V166-V247 HydrophobicContact CG2-CG2 4.47Å; V166-Y280 HydrophobicContact CG1-CD1 4.04Å; V166-Y280 HydrophobicContact CG1-CE1 3.95Å; V166-Y280 HydrophobicContact CG2-CD1 3.88Å; V166-L282 HydrophobicContact CG1-CD1 3.57Å; V166-L282 HydrophobicContact CG1-CD2 4.07Å; V166-L282 HydrophobicContact CG1-CG 3.53Å
167	W	96.5	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-72.2	-37.2	175.3	-65.1	113.4	0	0	0	112.7	L164 K165 A171 F175 V247 I254 L256 I265 M266 L282 D286 V290	L164-W167 PolarHBondContact O-N 2.8Å; K165-W167 VanDerWaalsContact C-N 3.28Å; K165-W167 PolarHBondContact O-N 2.9Å; W167-A171 WeakPolarHBondContact O-CB 3.3Å; W167-A171 PolarHBondContact O-N 3.36Å; W167-F175 HydrophobicContact CB-CE2 4.45Å; W167-V247 HydrophobicContact CZ2-CG1 4.04Å; W167-V247 WeakPolarHBondContact CZ2-O 3.27Å; W167-V247 PolarHBondContact NE1-O 3.39Å; W167-I254 HydrophobicContact CB-CD1 3.85Å; W167-I254 HydrophobicContact CD2-CD1 3.68Å; W167-I254 HydrophobicContact CE3-CD1 3.85Å; W167-I254 HydrophobicContact CG-CD1 3.69Å; W167-L256 HydrophobicContact CE3-CD1 4.19Å; W167-L256 HydrophobicContact CH2-CD1 3.25Å; W167-L256 HydrophobicContact CZ2-CD1 3.95Å; W167-L256 HydrophobicContact CZ3-CD1 3.38Å; W167-I265 HydrophobicContact CH2-CG2 4.03Å; W167-I265 HydrophobicContact CZ2-CG2 4.01Å; W167-M266 HydrophobicContact CH2-CG 4.42Å; W167-M266 HydrophobicContact CH2-SD 4.25Å; W167-M266 HydrophobicContact CZ2-SD 4.02Å; W167-L282 HydrophobicContact CD2-CD1 4.04Å; W167-L282 HydrophobicContact CE3-CD1 3.47Å; W167-L282 VanDerWaalsContact CE3-CD1 3.47Å; W167-L282 HydrophobicContact CH2-CD1 4.01Å; W167-L282 HydrophobicContact CH2-CD2 3.78Å; W167-L282 HydrophobicContact CZ2-CD2 4.12Å; W167-L282 HydrophobicContact CZ3-CD1 3.45Å; W167-L282 VanDerWaalsContact CZ3-CD1 3.45Å; W167-L282 HydrophobicContact CZ3-CD2 4.09Å; W167-L282 HydrophobicContact CZ3-CG 4.43Å; W167-D286 HydrophobicContact CH2-CB 4.12Å; W167-D286 HydrophobicContact CZ3-CB 4.37Å; W167-V290 HydrophobicContact CE3-CB 4.15Å; W167-V290 HydrophobicContact CE3-CG1 4.21Å; W167-V290 HydrophobicContact CE3-CG2 4.13Å; W167-V290 HydrophobicContact CZ3-CB 4.11Å; W167-V290 HydrophobicContact CZ3-CG1 4.25Å
168	S	94.9	Very high	94.1	Very high	16 Å²	16	27.3 Å²	27.3	11%	0.112	14%	0.137	C	C	.	.	H	α-helix	trans	-69.6	-27.9	179.2	79.4	0	0	0	0	114.3	L164 K165 I170 L173 R297	L164-S168 PolarHBondContact O-N 2.83Å; L164-S168 VanDerWaalsContact O-N 3.12Å; K165-S168 WeakPolarHBondContact CA-OG 3.35Å; K165-S168 CarbonylContact O-C 3.46Å; K165-S168 WeakPolarHBondContact O-CA 3.15Å; K165-S168 WeakPolarHBondContact O-CB 3.14Å; K165-S168 PolarHBondContact O-N 3.23Å; K165-S168 PolarHBondContact O-OG 3.35Å; S168-I170 VanDerWaalsContact C-N 3.29Å; S168-I170 PolarHBondContact O-N 2.94Å; S168-L173 WeakPolarHBondContact CB-O 3.46Å; S168-R297 VanDerWaalsContact O-CD 3.24Å; S168-R297 WeakPolarHBondContact O-CD 3.31Å; S168-R297 PolarHBondContact O-NH1 2.92Å
169	D	92	Very high	93.4	Very high	70 Å²	70	32.6 Å²	32.6	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-66	-35.3	-177.3	-75.5	-29.3	0	0	0	111.5	K165 R297 V300	K165-D169 IonicContact NZ-OD1 3.19Å; K165-D169 PolarHBondContact NZ-OD1 3.13Å; K165-D169 IonicContact NZ-OD2 3.07Å; K165-D169 PolarHBondContact NZ-OD2 3.08Å; K165-D169 PolarHBondContact O-N 3.35Å; D169-R297 WeakPolarHBondContact O-CD 3.25Å; D169-V300 VanDerWaalsContact O-CG2 3.25Å; D169-V300 WeakPolarHBondContact O-CG2 3.29Å
170	I	89.3	Confident	92.2	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.087	20%	0.2	C	C	.	.	H	α-helix	trans	-100	-25.2	-175.1	60.6	168.9	0	0	0	114.6	S168 L282 K287 V290 W291 R297	S168-I170 VanDerWaalsContact C-N 3.29Å; S168-I170 PolarHBondContact O-N 2.94Å; I170-L282 HydrophobicContact CD1-CB 4.46Å; I170-L282 HydrophobicContact CD1-CD1 3.44Å; I170-L282 VanDerWaalsContact CD1-CD1 3.44Å; I170-L282 HydrophobicContact CG1-CD1 4.34Å; I170-K287 HydrophobicContact CD1-CB 4.26Å; I170-K287 HydrophobicContact CD1-CG 3.64Å; I170-V290 HydrophobicContact CD1-CG1 3.54Å; I170-V290 HydrophobicContact CG1-CG1 4.09Å; I170-W291 PolarHBondContact O-NE1 3.49Å; I170-R297 PolarHBondContact O-N 2.8Å; I170-R297 VanDerWaalsContact O-N 3.07Å
171	A	91.4	Very high	90.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-116	150.8	-178.3	0	0	0	0	0	111.4	W167 L173 V290	W167-A171 WeakPolarHBondContact O-CB 3.3Å; W167-A171 PolarHBondContact O-N 3.36Å; A171-L173 PolarHBondContact O-N 3.2Å; A171-V290 HydrophobicContact CB-CG1 4.39Å; A171-V290 HydrophobicContact CB-CG2 3.97Å
172	P	94.2	Very high	90.1	Very high	36 Å²	36	42.3 Å²	42.3	23%	0.234	25%	0.251	C	S	.	.	S	Bend	trans	-77.1	72.2	175.1	19.8	-13.8	0	0	0	110.8	R135 Y294 G295	R135-P172 WeakPolarHBondContact CD-O 3.4Å; R135-P172 PolarHBondContact NH1-O 3.32Å; P172-Y294 WeakPolarHBondContact CG-O 3.35Å; P172-G295 WeakPolarHBondContact CD-O 3.37Å
173	L	95.1	Very high	89.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.254	C	S	.	.			trans	-125.4	146.1	167.8	-66.4	177.3	0	0	0	107.9	R135 L137 S168 A171 F175 I254 Y294 R297	R135-L173 CarbonylContact O-C 3.52Å; R135-L173 WeakPolarHBondContact O-CA 3.49Å; L137-L173 HydrophobicContact CD1-CD2 4.31Å; S168-L173 WeakPolarHBondContact CB-O 3.46Å; A171-L173 PolarHBondContact O-N 3.2Å; L173-F175 HydrophobicContact CB-CE2 4.13Å; L173-F175 HydrophobicContact CB-CZ 4.19Å; L173-F175 HydrophobicContact CD1-CZ 4.11Å; L173-I254 HydrophobicContact CD1-CB 4.2Å; L173-I254 HydrophobicContact CD1-CD1 4.2Å; L173-I254 HydrophobicContact CD1-CG2 3.91Å; L173-Y294 HydrophobicContact CD1-CD2 4.05Å; L173-Y294 HydrophobicContact CD1-CE1 4.48Å; L173-Y294 HydrophobicContact CD1-CE2 4Å; L173-Y294 HydrophobicContact CD1-CG 4.31Å; L173-Y294 HydrophobicContact CD2-CD1 3.85Å; L173-Y294 HydrophobicContact CD2-CE1 3.83Å; L173-Y294 HydrophobicContact CD2-CG 4.34Å; L173-Y294 HydrophobicContact CG-CD1 4.33Å; L173-Y294 HydrophobicContact CG-CG 4.31Å; L173-R297 PolarHBondContact O-NH1 2.76Å
174	N	93.3	Very high	89.6	Confident	57 Å²	57	43.6 Å²	43.6	31%	0.305	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113.8	-179.9	-70.3	-35.2	0	0	0	108.5	R135 H136 L137 R297	R135-N174 PolarHBondContact O-N 2.95Å; H136-N174 WeakPolarHBondContact CA-O 3.45Å; H136-N174 PolarHBondContact NE2-ND2 3.4Å; L137-N174 PolarHBondContact N-O 3.22Å; N174-R297 PolarHBondContact OD1-NH1 3.33Å; N174-R297 PolarHBondContact OD1-NH2 2.85Å
175	F	95.9	Very high	89.5	Confident	31 Å²	31	43.6 Å²	43.6	14%	0.136	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.6	179.4	-57.6	-79	0	0	0	110.8	L137 L164 W167 L173 I185 I254	L137-F175 HydrophobicContact CB-CD1 3.86Å; L137-F175 HydrophobicContact CB-CE1 4.08Å; L137-F175 HydrophobicContact CD1-CD1 4.26Å; L137-F175 HydrophobicContact CD1-CE1 3.61Å; L137-F175 HydrophobicContact CD1-CZ 4.33Å; L137-F175 HydrophobicContact CG-CE1 4.44Å; L137-F175 WeakPolarHBondContact O-CA 3.46Å; L164-F175 HydrophobicContact CB-CB 4.19Å; L164-F175 HydrophobicContact CB-CD1 4.41Å; L164-F175 HydrophobicContact CB-CD2 3.76Å; L164-F175 HydrophobicContact CB-CE2 4.21Å; L164-F175 HydrophobicContact CB-CG 3.87Å; L164-F175 HydrophobicContact CD1-CB 4.31Å; L164-F175 HydrophobicContact CD1-CD1 4.41Å; L164-F175 HydrophobicContact CD1-CG 4.36Å; L164-F175 HydrophobicContact CD2-CD1 3.84Å; L164-F175 HydrophobicContact CD2-CD2 4.44Å; L164-F175 HydrophobicContact CD2-CE1 3.78Å; L164-F175 HydrophobicContact CD2-CE2 4.4Å; L164-F175 HydrophobicContact CD2-CG 4.17Å; L164-F175 HydrophobicContact CD2-CZ 4.08Å; L164-F175 HydrophobicContact CG-CD1 4.45Å; L164-F175 HydrophobicContact CG-CG 4.36Å; L164-F175 WeakPolarHBondContact O-CD2 3.16Å; L164-F175 WeakPolarHBondContact O-CE2 3.48Å; W167-F175 HydrophobicContact CB-CE2 4.45Å; L173-F175 HydrophobicContact CB-CE2 4.13Å; L173-F175 HydrophobicContact CB-CZ 4.19Å; L173-F175 HydrophobicContact CD1-CZ 4.11Å; F175-I185 HydrophobicContact CD1-CD1 4.33Å; F175-I185 HydrophobicContact CE1-CD1 3.92Å; F175-I254 HydrophobicContact CE1-CG2 4.32Å; F175-I254 HydrophobicContact CZ-CG2 3.94Å
176	H	92.1	Very high	89.6	Confident	92 Å²	92	41.8 Å²	41.8	43%	0.426	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135.4	175.5	64.8	-59.4	0	0	0	110.6	L137 S138 W139	L137-H176 PolarHBondContact O-CE1 2.91Å; L137-H176 PolarHBondContact O-N 2.84Å; L137-H176 PolarHBondContact O-ND1 2.88Å; S138-H176 CarbonylContact C-O 3.59Å; S138-H176 VanDerWaalsContact CA-CE1 3.48Å; S138-H176 WeakPolarHBondContact CA-CE1 3.05Å; S138-H176 WeakPolarHBondContact CA-O 3.44Å; S138-H176 PolarHBondContact N-CE1 2.7Å; W139-H176 PolarHBondContact N-O 2.94Å
177	E	91.4	Very high	89.6	Confident	73 Å²	73	41.2 Å²	41.2	34%	0.341	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.8	-179.1	-158.1	-177.9	-168.1	0	0	110.5	W139 R157	W139-E177 HydrophobicContact CD2-CB 4.18Å; W139-E177 HydrophobicContact CD2-CG 4.01Å; W139-E177 HydrophobicContact CE3-CG 3.96Å; W139-E177 HydrophobicContact CH2-CB 4.14Å; W139-E177 HydrophobicContact CH2-CG 3.83Å; W139-E177 HydrophobicContact CZ2-CB 3.67Å; W139-E177 HydrophobicContact CZ2-CG 3.87Å; W139-E177 HydrophobicContact CZ3-CG 3.88Å; W139-E177 CarbonylContact O-C 3.56Å; W139-E177 VanDerWaalsContact O-CA 3.28Å; W139-E177 WeakPolarHBondContact O-CA 3.04Å; R157-E177 IonicContact CZ-OE1 3.75Å; R157-E177 IonicContact CZ-OE2 3.87Å; R157-E177 IonicContact NE-OE1 3.56Å; R157-E177 PolarHBondContact NE-OE1 2.98Å; R157-E177 IonicContact NE-OE2 3.87Å; R157-E177 PolarHBondContact NE-OE2 2.76Å; R157-E177 IonicContact NH2-OE1 2.76Å; R157-E177 PolarHBondContact NH2-OE1 3.04Å; R157-E177 IonicContact NH2-OE2 2.83Å; R157-E177 PolarHBondContact NH2-OE2 3.43Å
178	V	90.2	Very high	89.6	Confident	38 Å²	38	41.5 Å²	41.5	23%	0.23	25%	0.252	C	S	.	.			trans	-126.8	137.9	179.8	-62.8	0	0	0	0	112.4	W139 R140 A183	W139-V178 PolarHBondContact O-N 2.86Å; R140-V178 HydrophobicContact CB-CG2 4.37Å; R140-V178 VanDerWaalsContact CB-O 3.27Å; R140-V178 WeakPolarHBondContact CB-O 3.34Å; V178-A183 HydrophobicContact CG2-CB 3.77Å
179	A	74.3	Confident	89.6	Confident	113 Å²	113	40.8 Å²	40.8	93%	0.934	25%	0.247	S	C	*	.	S	Bend	trans	-85	-6.9	176.4	0	0	0	0	0	113.9
180	G	71.3	Confident	89.7	Confident	41 Å²	41	38.7 Å²	38.7	42%	0.423	24%	0.237	S	C	.	.	S	Bend	trans	-73	179.6	179.6	0	0	0	0	0	113.6	R140	R140-G180 WeakPolarHBondContact CD-O 3.07Å; R140-G180 VanDerWaalsContact CZ-O 3.25Å; R140-G180 PolarHBondContact NE-O 3.31Å; R140-G180 PolarHBondContact NH1-O 2.87Å
181	S	70	Confident	89.8	Confident	75 Å²	75	40.9 Å²	40.9	52%	0.524	25%	0.246	S	C	.	.	S	Bend	trans	-72	-34.7	172.3	47.1	0	0	0	0	112.9	R140	R140-S181 PolarHBondContact NE-O 2.83Å; R140-S181 PolarHBondContact NH2-O 3.42Å
182	D	78.8	Confident	89.6	Confident	134 Å²	134	43.4 Å²	43.4	72%	0.717	27%	0.266	S	S	*	.			trans	-103.5	112.4	-164.3	-57.4	11.2	0	0	0	109.3
183	A	90	Very high	89.2	Confident	17 Å²	17	46.6 Å²	46.6	14%	0.14	28%	0.281	C	S	.	.			trans	-132.3	155	176.5	0	0	0	0	0	110	S138 R140 V178 I185 Q186	S138-A183 WeakPolarHBondContact OG-CA 3.43Å; R140-A183 HydrophobicContact CB-CB 4.33Å; R140-A183 HydrophobicContact CG-CB 3.81Å; V178-A183 HydrophobicContact CG2-CB 3.77Å; A183-I185 VanDerWaalsContact C-N 3.34Å; A183-Q186 HydrophobicContact CB-CG 4.33Å
184	D	92.9	Very high	88.8	Confident	31 Å²	31	48 Å²	48	17%	0.166	29%	0.288	C	S	.	.	S	Bend	trans	-81	-17.6	178	-57.6	-40.1	0	0	0	113.4	W132 K134 L137 S138	W132-D184 HydrophobicContact CH2-CB 4.39Å; W132-D184 WeakPolarHBondContact CZ2-O 3.37Å; K134-D184 VanDerWaalsContact CE-OD2 3.3Å; K134-D184 WeakPolarHBondContact CE-OD2 3.23Å; K134-D184 IonicContact NZ-OD1 2.58Å; K134-D184 PolarHBondContact NZ-OD1 3.13Å; K134-D184 IonicContact NZ-OD2 2.71Å; K134-D184 PolarHBondContact NZ-OD2 3.09Å; L137-D184 WeakPolarHBondContact CA-OD2 3.2Å; L137-D184 HydrophobicContact CB-CB 4.44Å; L137-D184 HydrophobicContact CD2-CB 4.15Å; S138-D184 PolarHBondContact N-OD2 3.26Å; S138-D184 CarbonylContact O-C 3.58Å; S138-D184 WeakPolarHBondContact O-CA 3.45Å; S138-D184 WeakPolarHBondContact O-CB 3.29Å; S138-D184 PolarHBondContact O-N 2.88Å; S138-D184 VanDerWaalsContact OG-CG 3.32Å; S138-D184 PolarHBondContact OG-N 2.96Å; S138-D184 PolarHBondContact OG-OD2 3.01Å
185	I	95.8	Very high	88.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	99	174.4	-64.8	177.3	0	0	0	106.2	S138 W139 R140 L164 F175 A183 I187 G220 F250 A253	S138-I185 PolarHBondContact O-N 3.28Å; W139-I185 VanDerWaalsContact CA-O 3.23Å; W139-I185 WeakPolarHBondContact CA-O 3.45Å; W139-I185 HydrophobicContact CB-CB 4.01Å; W139-I185 HydrophobicContact CB-CG2 4.35Å; R140-I185 PolarHBondContact N-O 2.95Å; R140-I185 VanDerWaalsContact N-O 3.1Å; L164-I185 HydrophobicContact CD2-CD1 4.12Å; F175-I185 HydrophobicContact CD1-CD1 4.33Å; F175-I185 HydrophobicContact CE1-CD1 3.92Å; A183-I185 VanDerWaalsContact C-N 3.34Å; I185-I187 HydrophobicContact CG2-CD1 4.41Å; I185-I187 HydrophobicContact CG2-CG1 4.21Å; I185-G220 WeakPolarHBondContact CG2-O 3.36Å; I185-F250 HydrophobicContact CG2-CD1 4.21Å; I185-F250 HydrophobicContact CG2-CE1 3.84Å; I185-A253 HydrophobicContact CD1-CB 4.23Å
186	Q	95.3	Very high	87.5	Confident	25 Å²	25	52.6 Å²	52.6	12%	0.117	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.5	168.1	-59	177.2	97.7	0	0	109.8	R142 A183 D221 T222	R142-Q186 VanDerWaalsContact CD-OE1 3.25Å; A183-Q186 HydrophobicContact CB-CG 4.33Å; Q186-D221 HydrophobicContact CB-CB 4.46Å; Q186-D221 WeakPolarHBondContact CB-OD1 3.27Å; Q186-D221 VanDerWaalsContact CG-OD1 3.27Å; Q186-D221 WeakPolarHBondContact CG-OD1 3.44Å; Q186-D221 PolarHBondContact N-OD1 3.05Å; Q186-D221 VanDerWaalsContact NE2-CG 3.33Å; Q186-D221 PolarHBondContact NE2-OD1 3.06Å; Q186-D221 VanDerWaalsContact NE2-OD1 3.15Å; Q186-D221 PolarHBondContact NE2-OD2 3.43Å; Q186-D221 WeakPolarHBondContact O-CA 3.46Å; Q186-T222 PolarHBondContact O-N 3.14Å
187	I	97.7	Very high	86.7	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117	177.9	-66.1	146.6	0	0	0	108.5	W139 R140 V141 R142 M160 I185 F189 T222 F224 F250	W139-I187 HydrophobicContact CE3-CD1 3.81Å; W139-I187 HydrophobicContact CZ3-CD1 4.43Å; R140-I187 PolarHBondContact O-N 2.89Å; V141-I187 HydrophobicContact CG1-CG2 4.33Å; V141-I187 HydrophobicContact CG2-CB 4.33Å; V141-I187 HydrophobicContact CG2-CD1 4.2Å; V141-I187 HydrophobicContact CG2-CG2 4.29Å; R142-I187 PolarHBondContact N-O 3.29Å; M160-I187 HydrophobicContact CB-CD1 4.13Å; M160-I187 HydrophobicContact CG-CD1 4.06Å; M160-I187 HydrophobicContact CG-CG2 4.42Å; M160-I187 HydrophobicContact SD-CD1 4.14Å; M160-I187 HydrophobicContact SD-CG2 4.05Å; I185-I187 HydrophobicContact CG2-CD1 4.41Å; I185-I187 HydrophobicContact CG2-CG1 4.21Å; I187-F189 HydrophobicContact CG2-CE2 4.18Å; I187-T222 WeakPolarHBondContact CA-O 3.33Å; I187-F224 HydrophobicContact CG2-CD2 4.07Å; I187-F224 HydrophobicContact CG2-CE2 3.79Å; I187-F250 HydrophobicContact CD1-CE1 3.94Å; I187-F250 HydrophobicContact CD1-CZ 3.57Å; I187-F250 HydrophobicContact CG1-CE1 3.87Å; I187-F250 HydrophobicContact CG1-CZ 3.89Å
188	D	95.5	Very high	85.9	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.4	177.1	-72.5	-108.2	0	0	0	111	R142 T143 T190 T222 H223 F224	R142-D188 WeakPolarHBondContact CB-OD1 3.18Å; R142-D188 WeakPolarHBondContact CB-OD2 3.38Å; R142-D188 WeakPolarHBondContact CD-OD2 3.29Å; R142-D188 VanDerWaalsContact CZ-CG 3.49Å; R142-D188 IonicContact CZ-OD1 3.57Å; R142-D188 IonicContact CZ-OD2 3.28Å; R142-D188 VanDerWaalsContact NE-CG 3.25Å; R142-D188 IonicContact NE-OD1 3.66Å; R142-D188 PolarHBondContact NE-OD1 3.11Å; R142-D188 IonicContact NE-OD2 3.66Å; R142-D188 PolarHBondContact NE-OD2 2.86Å; R142-D188 IonicContact NH1-OD2 3.83Å; R142-D188 IonicContact NH2-OD1 2.88Å; R142-D188 PolarHBondContact NH2-OD1 2.96Å; R142-D188 IonicContact NH2-OD2 3.76Å; R142-D188 PolarHBondContact NH2-OD2 2.93Å; T143-D188 WeakPolarHBondContact OG1-CA 3.26Å; D188-T190 HydrophobicContact CB-CG2 4.17Å; D188-T222 PolarHBondContact N-O 3.01Å; D188-T222 VanDerWaalsContact N-O 3.09Å; D188-H223 WeakPolarHBondContact O-CA 3.49Å; D188-F224 PolarHBondContact O-N 3.01Å
189	F	96	Very high	85.5	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.009	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.4	164.4	-67.7	-101.5	0	0	0	108	T143 P145 V156 M160 I187 F224 D226 W230 L242	T143-F189 WeakPolarHBondContact O-CD2 3.43Å; T143-F189 PolarHBondContact OG1-N 3.06Å; T143-F189 PolarHBondContact OG1-O 2.68Å; P145-F189 HydrophobicContact CB-CD1 3.76Å; P145-F189 HydrophobicContact CB-CE1 4.02Å; P145-F189 HydrophobicContact CB-CG 4.29Å; P145-F189 HydrophobicContact CG-CD1 4.13Å; P145-F189 HydrophobicContact CG-CE1 3.97Å; P145-F189 HydrophobicContact CG-CZ 4.29Å; V156-F189 HydrophobicContact CG1-CE2 3.97Å; V156-F189 HydrophobicContact CG1-CZ 4.11Å; M160-F189 HydrophobicContact CE-CZ 4.38Å; I187-F189 HydrophobicContact CG2-CE2 4.18Å; F189-F224 WeakPolarHBondContact CA-O 3.38Å; F189-F224 HydrophobicContact CD1-CB 3.66Å; F189-F224 HydrophobicContact CD1-CG 4.45Å; F189-F224 HydrophobicContact CE1-CB 3.68Å; F189-F224 HydrophobicContact CE1-CD2 4.4Å; F189-F224 HydrophobicContact CE1-CG 4.05Å; F189-F224 HydrophobicContact CE2-CD2 4.29Å; F189-F224 HydrophobicContact CG-CB 4.22Å; F189-F224 HydrophobicContact CZ-CB 4.26Å; F189-F224 HydrophobicContact CZ-CD2 4.12Å; F189-F224 HydrophobicContact CZ-CG 4.19Å; F189-D226 HydrophobicContact CB-CB 4.06Å; F189-W230 AromaticContact CD1-NE1 3.88Å; F189-W230 AromaticContact CE1-CD1 3.95Å; F189-W230 HydrophobicContact CE1-CD2 4.41Å; F189-W230 HydrophobicContact CE1-CG 4.28Å; F189-W230 AromaticContact CE1-NE1 3.86Å; F189-L242 HydrophobicContact CE1-CD1 3.93Å; F189-L242 HydrophobicContact CE1-CD2 4.44Å; F189-L242 HydrophobicContact CZ-CD1 3.84Å; F189-L242 HydrophobicContact CZ-CD2 4.01Å
190	T	93.4	Very high	86.1	Confident	25 Å²	25	48.5 Å²	48.5	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161.9	-172.3	48.8	0	0	0	0	110.5	D188 H194 F200 F224 D225 D226	D188-T190 HydrophobicContact CB-CG2 4.17Å; T190-H194 HydrophobicContact CG2-CB 3.98Å; T190-H194 PolarHBondContact OG1-CD2 2.84Å; T190-F200 WeakPolarHBondContact OG1-CE2 3.2Å; T190-F224 PolarHBondContact N-O 2.75Å; T190-D225 CarbonylContact O-C 3.58Å; T190-D225 WeakPolarHBondContact O-CA 3.25Å; T190-D226 WeakPolarHBondContact O-CB 3.4Å; T190-D226 PolarHBondContact O-N 3.1Å
191	K	90.8	Very high	86.6	Confident	64 Å²	64	50.8 Å²	50.8	28%	0.278	29%	0.294	S	S	.	.			trans	-125.9	147.1	177.7	-57.5	-178.2	-175.4	-94.8	0	109.7	D147 D226 D227	D147-K191 IonicContact OD2-NZ 3.62Å; D147-K191 PolarHBondContact OD2-NZ 2.93Å; K191-D226 HydrophobicContact CD-CB 4.45Å; K191-D226 VanDerWaalsContact CE-OD2 3.29Å; K191-D226 WeakPolarHBondContact CE-OD2 3.15Å; K191-D226 HydrophobicContact CG-CB 3.66Å; K191-D226 VanDerWaalsContact NZ-C 3.27Å; K191-D226 PolarHBondContact NZ-O 2.65Å; K191-D227 WeakPolarHBondContact CD-OD1 3.43Å; K191-D227 WeakPolarHBondContact CD-OD2 3.39Å; K191-D227 IonicContact NZ-OD1 3.57Å; K191-D227 PolarHBondContact NZ-OD1 3.22Å
192	A	87.8	Confident	87.2	Confident	52 Å²	52	47.6 Å²	47.6	43%	0.43	27%	0.273	S	S	.	.	S	Bend	trans	50.6	-139.4	174.9	0	0	0	0	0	113.9	H194 P199 F200	A192-H194 PolarHBondContact O-N 3.06Å; A192-H194 PolarHBondContact O-ND1 2.92Å; A192-P199 WeakPolarHBondContact O-CA 3.28Å; A192-F200 WeakPolarHBondContact CA-O 3.44Å; A192-F200 PolarHBondContact O-N 2.76Å; A192-F200 VanDerWaalsContact O-N 3.07Å
193	D	84.8	Confident	87.4	Confident	103 Å²	103	46.1 Å²	46.1	55%	0.551	27%	0.271	S	S	*	.			trans	-67.6	118.5	171	176.6	21.7	0	0	0	111	N195 P199	D193-N195 PolarHBondContact OD1-N 2.95Å; D193-P199 HydrophobicContact CB-CB 4.15Å
194	H	87.8	Confident	86.9	Confident	31 Å²	31	46.8 Å²	46.8	14%	0.144	28%	0.279	C	S	.	.			trans	-123.6	30.4	176.9	53.2	-81.7	0	0	0	112.4	T190 A192 D196 Y198 F200 H209 H223	T190-H194 HydrophobicContact CG2-CB 3.98Å; T190-H194 PolarHBondContact OG1-CD2 2.84Å; A192-H194 PolarHBondContact O-N 3.06Å; A192-H194 PolarHBondContact O-ND1 2.92Å; H194-D196 VanDerWaalsContact C-N 3.34Å; H194-D196 IonicContact CD2-OD1 3.34Å; H194-D196 IonicContact CD2-OD2 3.67Å; H194-D196 IonicContact NE2-OD1 3.45Å; H194-D196 IonicContact NE2-OD2 3.74Å; H194-D196 PolarHBondContact NE2-OD2 2.79Å; H194-D196 PolarHBondContact O-N 2.87Å; H194-Y198 PolarHBondContact CE1-O 2.89Å; H194-Y198 VanDerWaalsContact CE1-O 3.32Å; H194-F200 AromaticContact CE1-CD2 3.51Å; H194-F200 AromaticContact CE1-CE2 3.35Å; H194-F200 WeakPolarHBondContact CE1-CE2 3.35Å; H194-F200 AromaticContact CE1-CZ 3.73Å; H194-F200 AromaticContact ND1-CD2 3.91Å; H194-F200 AromaticContact NE2-CE2 3.9Å; H194-H209 AromaticContact CE1-CE1 3.72Å; H194-H209 AromaticContact NE2-CE1 3.52Å; H194-H209 AromaticContact NE2-NE2 3.6Å; H194-H223 AromaticContact CD2-CE1 3.79Å; H194-H223 AromaticContact CD2-CG 3.9Å; H194-H223 AromaticContact CD2-ND1 3.24Å; H194-H223 PolarHBondContact CD2-ND1 2.95Å; H194-H223 AromaticContact NE2-CG 3.62Å; H194-H223 AromaticContact NE2-ND1 3.07Å; H194-H223 PolarHBondContact NE2-ND1 3Å
195	N	83	Confident	86.6	Confident	146 Å²	146	46.3 Å²	46.3	78%	0.781	28%	0.282	S	S	*	.	S	Bend	trans	67	16.5	166	-51.6	129.9	0	0	0	117.4	D193	D193-N195 PolarHBondContact OD1-N 2.95Å
196	D	79.3	Confident	86.3	Confident	37 Å²	37	46.4 Å²	46.4	20%	0.198	28%	0.282	C	S	.	.	S	Bend	trans	-101.6	-12.2	175.7	71.3	-7.6	0	0	0	114.2	H194 Y198 H209 F211 H223	H194-D196 VanDerWaalsContact C-N 3.34Å; H194-D196 IonicContact CD2-OD1 3.34Å; H194-D196 IonicContact CD2-OD2 3.67Å; H194-D196 IonicContact NE2-OD1 3.45Å; H194-D196 IonicContact NE2-OD2 3.74Å; H194-D196 PolarHBondContact NE2-OD2 2.79Å; H194-D196 PolarHBondContact O-N 2.87Å; D196-Y198 PolarHBondContact OD1-N 2.94Å; D196-H209 IonicContact OD2-CD2 3.91Å; D196-H209 IonicContact OD2-CE1 3Å; D196-H209 IonicContact OD2-NE2 2.74Å; D196-H209 PolarHBondContact OD2-NE2 3.01Å; D196-F211 HydrophobicContact CB-CE2 4.11Å; D196-F211 HydrophobicContact CB-CZ 3.79Å; D196-F211 WeakPolarHBondContact OD2-CE2 3.48Å; D196-F211 WeakPolarHBondContact OD2-CZ 3.22Å; D196-H223 IonicContact OD2-CE1 2.64Å; D196-H223 PolarHBondContact OD2-CE1 2.93Å; D196-H223 VanDerWaalsContact OD2-CE1 3.3Å; D196-H223 IonicContact OD2-ND1 3.53Å; D196-H223 PolarHBondContact OD2-ND1 3.04Å
197	G	74.2	Confident	86.3	Confident	59 Å²	59	45.4 Å²	45.4	61%	0.608	28%	0.278	S	S	*	.	S	Bend	trans	101	-1.4	-178.4	0	0	0	0	0	115.3	P199	G197-P199 WeakPolarHBondContact O-CD 3.15Å
198	Y	76.1	Confident	86.2	Confident	91 Å²	91	45.4 Å²	45.4	36%	0.357	28%	0.278	S	S	.	.			trans	-122.3	73.1	-179.4	-67.9	-93.7	0	0	0	110.2	L109 H194 D196 F200 H209 F211	L109-Y198 HydrophobicContact CD2-CE1 4.4Å; H194-Y198 PolarHBondContact CE1-O 2.89Å; H194-Y198 VanDerWaalsContact CE1-O 3.32Å; D196-Y198 PolarHBondContact OD1-N 2.94Å; Y198-F200 PolarHBondContact O-N 3.04Å; Y198-H209 VanDerWaalsContact CB-CE1 3.41Å; Y198-H209 WeakPolarHBondContact CB-CE1 3.22Å; Y198-H209 PolarHBondContact O-CE1 3.45Å; Y198-H209 VanDerWaalsContact O-CE1 3.24Å; Y198-F211 HydrophobicContact CD2-CE1 4.11Å; Y198-F211 HydrophobicContact CD2-CZ 4.15Å; Y198-F211 HydrophobicContact CE2-CE1 4.05Å
199	P	81	Confident	86.2	Confident	70 Å²	70	45.1 Å²	45.1	46%	0.455	28%	0.276	S	S	.	.			trans	-66.4	133.6	-178.6	28.8	-35.3	0	0	0	111.4	A192 D193 G197	A192-P199 WeakPolarHBondContact O-CA 3.28Å; D193-P199 HydrophobicContact CB-CB 4.15Å; G197-P199 WeakPolarHBondContact O-CD 3.15Å
200	F	86.6	Confident	86.2	Confident	11 Å²	11	45 Å²	45	5%	0.048	28%	0.276	C	S	.	.			trans	-70.8	154.2	170.8	-61.9	-47.5	0	0	0	111.4	T190 A192 H194 Y198 T206 H209 H223 D225	T190-F200 WeakPolarHBondContact OG1-CE2 3.2Å; A192-F200 WeakPolarHBondContact CA-O 3.44Å; A192-F200 PolarHBondContact O-N 2.76Å; A192-F200 VanDerWaalsContact O-N 3.07Å; H194-F200 AromaticContact CE1-CD2 3.51Å; H194-F200 AromaticContact CE1-CE2 3.35Å; H194-F200 WeakPolarHBondContact CE1-CE2 3.35Å; H194-F200 AromaticContact CE1-CZ 3.73Å; H194-F200 AromaticContact ND1-CD2 3.91Å; H194-F200 AromaticContact NE2-CE2 3.9Å; Y198-F200 PolarHBondContact O-N 3.04Å; F200-T206 WeakPolarHBondContact CD1-O 3.35Å; F200-H209 AromaticContact CE1-CE1 3.54Å; F200-H209 AromaticContact CE1-ND1 3.3Å; F200-H209 VanDerWaalsContact CE1-ND1 3.3Å; F200-H209 WeakPolarHBondContact CE1-ND1 3.39Å; F200-H209 AromaticContact CZ-CE1 3.7Å; F200-H209 AromaticContact CZ-ND1 3.78Å; F200-H223 HydrophobicContact CE2-CB 4.29Å; F200-H223 HydrophobicContact CZ-CB 3.91Å; F200-D225 HydrophobicContact CB-CB 4.18Å; F200-D225 HydrophobicContact CD1-CB 4.25Å; F200-D225 HydrophobicContact CD2-CB 3.61Å; F200-D225 HydrophobicContact CE2-CB 3.98Å; F200-D225 HydrophobicContact CG-CB 3.77Å; F200-D225 HydrophobicContact CZ-CB 4.47Å
201	D	82	Confident	86	Confident	88 Å²	88	45.4 Å²	45.4	47%	0.471	28%	0.276	S	S	.	.			trans	-109.8	1	179.4	47.6	11.3	0	0	0	114.4	R55 G205 T206	R55-D201 IonicContact NH1-OD2 2.84Å; R55-D201 PolarHBondContact NH1-OD2 3.07Å; D201-G205 WeakPolarHBondContact OD1-CA 3.33Å; D201-T206 PolarHBondContact N-OG1 2.9Å; D201-T206 WeakPolarHBondContact OD1-CB 3.3Å; D201-T206 PolarHBondContact OD1-N 3.37Å; D201-T206 PolarHBondContact OD1-OG1 3.16Å
202	G	81.9	Confident	86	Confident	9 Å²	9	45.4 Å²	45.4	9%	0.093	28%	0.276	C	S	.	.			trans	92.9	-166.5	174.2	0	0	0	0	0	114.2	G204 G205 D225	G202-G204 PolarHBondContact O-N 3.16Å; G202-G205 PolarHBondContact O-N 2.64Å; G202-D225 VanDerWaalsContact CA-OD2 3.3Å; G202-D225 WeakPolarHBondContact CA-OD2 3.35Å; G202-D225 PolarHBondContact N-OD2 2.9Å
203	P	84.1	Confident	86.2	Confident	103 Å²	103	43.2 Å²	43.2	67%	0.669	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	124	-161.2	-24.1	32.5	0	0	0	114.4	D227	P203-D227 HydrophobicContact CG-CB 4.25Å
204	G	78.9	Confident	86.2	Confident	30 Å²	30	40.4 Å²	40.4	31%	0.309	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	3.6	177.4	0	0	0	0	0	115.4	P105 G202 E228	P105-G204 WeakPolarHBondContact CA-O 3.24Å; P105-G204 WeakPolarHBondContact CG-O 3.44Å; G202-G204 PolarHBondContact O-N 3.16Å; G204-E228 WeakPolarHBondContact CA-OE1 3.4Å; G204-E228 PolarHBondContact N-OE1 3.04Å
205	G	87.1	Confident	85.6	Confident	21 Å²	21	48.6 Å²	48.6	22%	0.216	29%	0.291	C	S	.	.	S	Bend	trans	-98.9	-107.8	-179.8	0	0	0	0	0	113	P105 R106 D201 G202	P105-G205 WeakPolarHBondContact CA-O 3.28Å; R106-G205 PolarHBondContact N-O 2.9Å; D201-G205 WeakPolarHBondContact OD1-CA 3.33Å; G202-G205 PolarHBondContact O-N 2.64Å
206	T	89.6	Confident	85.5	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	102.5	176.5	48.4	0	0	0	0	110.6	F56 R106 F200 D201	F56-T206 HydrophobicContact CE1-CG2 4.44Å; F56-T206 HydrophobicContact CZ-CG2 4.01Å; R106-T206 CarbonylContact O-C 3.58Å; R106-T206 VanDerWaalsContact O-CA 3.31Å; R106-T206 WeakPolarHBondContact O-CA 3.44Å; F200-T206 WeakPolarHBondContact CD1-O 3.35Å; D201-T206 PolarHBondContact N-OG1 2.9Å; D201-T206 WeakPolarHBondContact OD1-CB 3.3Å; D201-T206 PolarHBondContact OD1-N 3.37Å; D201-T206 PolarHBondContact OD1-OG1 3.16Å
207	V	94.4	Very high	85.5	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-30.8	-165.7	-51.2	0	0	0	0	113.5	P105 R106 D225 E228 W230 M240 V245	P105-V207 HydrophobicContact CB-CG1 3.6Å; R106-V207 PolarHBondContact O-N 3.39Å; V207-D225 PolarHBondContact O-N 3.35Å; V207-E228 HydrophobicContact CB-CG 4.38Å; V207-W230 HydrophobicContact CB-CH2 4.4Å; V207-W230 WeakPolarHBondContact O-CZ2 3.49Å; V207-M240 HydrophobicContact CB-CE 4.43Å; V207-M240 HydrophobicContact CB-SD 4.36Å; V207-M240 HydrophobicContact CG1-CE 3.57Å; V207-M240 HydrophobicContact CG1-SD 3.97Å; V207-V245 HydrophobicContact CG2-CG1 3.91Å; V207-V245 HydrophobicContact CG2-CG2 4.22Å
208	A	96.9	Very high	85.9	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	172.6	-175.7	0	0	0	0	0	111	S108 H223 F224 V245 E249	S108-A208 PolarHBondContact N-O 2.74Å; A208-H223 CarbonylContact C-O 3.6Å; A208-H223 WeakPolarHBondContact CA-O 3.5Å; A208-H223 VanDerWaalsContact CB-O 3.29Å; A208-H223 WeakPolarHBondContact CB-O 3.24Å; A208-F224 HydrophobicContact CB-CD1 3.93Å; A208-F224 HydrophobicContact CB-CE1 4.45Å; A208-F224 HydrophobicContact CB-CG 4.46Å; A208-V245 HydrophobicContact CB-CG1 3.69Å; A208-E249 HydrophobicContact CB-CG 3.64Å
209	H	94.7	Very high	86.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	155.6	159.7	52.9	-99.9	0	0	0	112	S108 L109 H194 D196 Y198 F200 H223 E249	S108-H209 VanDerWaalsContact OG-CB 3.27Å; S108-H209 WeakPolarHBondContact OG-CB 3.36Å; S108-H209 VanDerWaalsContact OG-CG 3.27Å; S108-H209 PolarHBondContact OG-ND1 3Å; L109-H209 HydrophobicContact CD2-CB 3.95Å; L109-H209 HydrophobicContact CG-CB 4.01Å; H194-H209 AromaticContact CE1-CE1 3.72Å; H194-H209 AromaticContact NE2-CE1 3.52Å; H194-H209 AromaticContact NE2-NE2 3.6Å; D196-H209 IonicContact OD2-CD2 3.91Å; D196-H209 IonicContact OD2-CE1 3Å; D196-H209 IonicContact OD2-NE2 2.74Å; D196-H209 PolarHBondContact OD2-NE2 3.01Å; Y198-H209 VanDerWaalsContact CB-CE1 3.41Å; Y198-H209 WeakPolarHBondContact CB-CE1 3.22Å; Y198-H209 PolarHBondContact O-CE1 3.45Å; Y198-H209 VanDerWaalsContact O-CE1 3.24Å; F200-H209 AromaticContact CE1-CE1 3.54Å; F200-H209 AromaticContact CE1-ND1 3.3Å; F200-H209 VanDerWaalsContact CE1-ND1 3.3Å; F200-H209 WeakPolarHBondContact CE1-ND1 3.39Å; F200-H209 AromaticContact CZ-CE1 3.7Å; F200-H209 AromaticContact CZ-ND1 3.78Å; H209-H223 PolarHBondContact N-O 2.81Å; H209-H223 AromaticContact NE2-ND1 3.53Å; H209-H223 PolarHBondContact O-N 3.24Å; H209-E249 WeakPolarHBondContact CA-OE2 3.22Å
210	A	95.4	Very high	86.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.5	165.7	0	0	0	0	0	113.9	L109 D221 T222 E249 H252 A253	L109-A210 WeakPolarHBondContact CD1-O 3.47Å; A210-D221 CarbonylContact C-O 3.59Å; A210-D221 WeakPolarHBondContact CA-O 3.34Å; A210-T222 HydrophobicContact CB-CG2 3.99Å; A210-T222 WeakPolarHBondContact CB-OG1 3.22Å; A210-E249 HydrophobicContact CB-CB 4.13Å; A210-E249 VanDerWaalsContact CB-O 3.28Å; A210-E249 WeakPolarHBondContact CB-O 3.17Å; A210-E249 PolarHBondContact N-OE2 3.17Å; A210-H252 HydrophobicContact CB-CB 4.04Å; A210-A253 HydrophobicContact CB-CB 4.06Å
211	F	89.8	Confident	87.1	Confident	33 Å²	33	49.7 Å²	49.7	15%	0.145	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-79	133.7	176.7	-70.4	-73.3	0	0	0	112	D196 Y198 T218 G220 D221	D196-F211 HydrophobicContact CB-CE2 4.11Å; D196-F211 HydrophobicContact CB-CZ 3.79Å; D196-F211 WeakPolarHBondContact OD2-CE2 3.48Å; D196-F211 WeakPolarHBondContact OD2-CZ 3.22Å; Y198-F211 HydrophobicContact CD2-CE1 4.11Å; Y198-F211 HydrophobicContact CD2-CZ 4.15Å; Y198-F211 HydrophobicContact CE2-CE1 4.05Å; F211-T218 WeakPolarHBondContact CB-O 3.17Å; F211-G220 VanDerWaalsContact O-CA 3.29Å; F211-G220 WeakPolarHBondContact O-CA 3.37Å; F211-G220 PolarHBondContact O-N 2.72Å; F211-D221 HydrophobicContact CD2-CB 4.29Å; F211-D221 PolarHBondContact N-O 3.16Å
212	F	91.1	Very high	87.9	Confident	63 Å²	63	45.5 Å²	45.5	28%	0.276	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-58.6	152.7	176.4	-66.6	-70.3	0	0	0	113.5	L109 N130 H252 L256 V257	L109-F212 HydrophobicContact CD1-CE2 4.15Å; L109-F212 HydrophobicContact CD1-CZ 4.14Å; N130-F212 HydrophobicContact CB-CB 4.17Å; N130-F212 HydrophobicContact CB-CD1 4.14Å; N130-F212 HydrophobicContact CB-CG 4.35Å; N130-F212 WeakPolarHBondContact ND2-CD1 3.14Å; N130-F212 VanDerWaalsContact ND2-CG 3.29Å; N130-F212 WeakPolarHBondContact ND2-CG 3.47Å; F212-H252 WeakPolarHBondContact CD1-O 3.48Å; F212-H252 HydrophobicContact CE1-CB 4.45Å; F212-H252 AromaticContact CE1-ND1 3.87Å; F212-H252 AromaticContact CZ-ND1 3.99Å; F212-L256 WeakPolarHBondContact CE1-O 3.42Å; F212-V257 HydrophobicContact CE1-CG1 3.91Å; F212-V257 HydrophobicContact CZ-CG1 3.89Å
213	P	91.5	Very high	88.6	Confident	7 Å²	7	45.9 Å²	45.9	5%	0.045	24%	0.241	C	C	.	.	S	Bend	trans	-55.3	140.4	172.2	-21.3	28.6	0	0	0	112.7	W132 A253	W132-P213 HydrophobicContact CD2-CB 3.9Å; W132-P213 HydrophobicContact CD2-CG 4.45Å; W132-P213 HydrophobicContact CE3-CB 4.48Å; W132-P213 HydrophobicContact CG-CB 4.04Å; W132-P213 HydrophobicContact CG-CG 4.28Å; W132-P213 HydrophobicContact CZ2-CB 4.35Å; P213-A253 WeakPolarHBondContact CG-O 3.36Å
214	G	85.3	Confident	89.2	Confident	44 Å²	44	41 Å²	41	45%	0.454	21%	0.209	S	C	.	.	S	Bend	trans	176.7	-163.3	-177.7	0	0	0	0	0	113.2
215	E	75.1	Confident	90	Very high	202 Å²	202	39.5 Å²	39.5	94%	0.944	20%	0.195	S	C	*	.	S	Bend	trans	-100.5	5.1	-177.2	-60.5	177.3	175	0	0	113.2
216	R	79.5	Confident	90.3	Very high	204 Å²	204	38.5 Å²	38.5	77%	0.77	18%	0.184	S	C	*	.	S	Bend	trans	-83.2	151.3	177.2	-66.8	-174.6	176.6	-139.6	-0.5	110.5	T218 A219	R216-T218 PolarHBondContact O-N 3.28Å; R216-T218 VanDerWaalsContact O-N 3.16Å; R216-A219 VanDerWaalsContact O-CB 3.25Å; R216-A219 WeakPolarHBondContact O-CB 3.33Å; R216-A219 PolarHBondContact O-N 2.83Å
217	F	79.4	Confident	90.2	Very high	187 Å²	187	41.7 Å²	41.7	82%	0.82	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.1	178.2	71.4	-91.7	0	0	0	114.2
218	T	82.8	Confident	89.9	Confident	27 Å²	27	42 Å²	42	17%	0.166	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.5	173.5	62.7	0	0	0	0	113.8	F211 R216 G220 D221	F211-T218 WeakPolarHBondContact CB-O 3.17Å; R216-T218 PolarHBondContact O-N 3.28Å; R216-T218 VanDerWaalsContact O-N 3.16Å; T218-G220 PolarHBondContact O-N 2.57Å; T218-D221 WeakPolarHBondContact CA-OD2 3.44Å; T218-D221 WeakPolarHBondContact O-CB 3.21Å; T218-D221 PolarHBondContact O-N 3.43Å
219	A	86.2	Confident	89.5	Confident	11 Å²	11	44.6 Å²	44.6	9%	0.091	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	123	-174.9	0	0	0	0	0	111	W132 R216 D221	W132-A219 HydrophobicContact CH2-CB 4.2Å; W132-A219 WeakPolarHBondContact CH2-O 3.43Å; R216-A219 VanDerWaalsContact O-CB 3.25Å; R216-A219 WeakPolarHBondContact O-CB 3.33Å; R216-A219 PolarHBondContact O-N 2.83Å; A219-D221 VanDerWaalsContact C-N 3.32Å
220	G	89.3	Confident	89.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-15.8	-172.6	0	0	0	0	0	115.1	I185 F211 T218 T222	I185-G220 WeakPolarHBondContact CG2-O 3.36Å; F211-G220 VanDerWaalsContact O-CA 3.29Å; F211-G220 WeakPolarHBondContact O-CA 3.37Å; F211-G220 PolarHBondContact O-N 2.72Å; T218-G220 PolarHBondContact O-N 2.57Å; G220-T222 PolarHBondContact O-N 2.92Å; G220-T222 PolarHBondContact O-OG1 2.84Å
221	D	94.5	Very high	88.9	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.043	23%	0.228	C	C	.	.			trans	-63	138	178.8	-70.3	-11.8	0	0	0	110.4	Q186 A210 F211 T218 A219	Q186-D221 HydrophobicContact CB-CB 4.46Å; Q186-D221 WeakPolarHBondContact CB-OD1 3.27Å; Q186-D221 VanDerWaalsContact CG-OD1 3.27Å; Q186-D221 WeakPolarHBondContact CG-OD1 3.44Å; Q186-D221 PolarHBondContact N-OD1 3.05Å; Q186-D221 VanDerWaalsContact NE2-CG 3.33Å; Q186-D221 PolarHBondContact NE2-OD1 3.06Å; Q186-D221 VanDerWaalsContact NE2-OD1 3.15Å; Q186-D221 PolarHBondContact NE2-OD2 3.43Å; Q186-D221 WeakPolarHBondContact O-CA 3.46Å; A210-D221 CarbonylContact C-O 3.59Å; A210-D221 WeakPolarHBondContact CA-O 3.34Å; F211-D221 HydrophobicContact CD2-CB 4.29Å; F211-D221 PolarHBondContact N-O 3.16Å; T218-D221 WeakPolarHBondContact CA-OD2 3.44Å; T218-D221 WeakPolarHBondContact O-CB 3.21Å; T218-D221 PolarHBondContact O-N 3.43Å; A219-D221 VanDerWaalsContact C-N 3.32Å
222	T	97.7	Very high	88.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.4	-169.5	-58.1	0	0	0	0	109.3	Q186 I187 D188 A210 G220 F224 E249 F250	Q186-T222 PolarHBondContact O-N 3.14Å; I187-T222 WeakPolarHBondContact CA-O 3.33Å; D188-T222 PolarHBondContact N-O 3.01Å; D188-T222 VanDerWaalsContact N-O 3.09Å; A210-T222 HydrophobicContact CB-CG2 3.99Å; A210-T222 WeakPolarHBondContact CB-OG1 3.22Å; G220-T222 PolarHBondContact O-N 2.92Å; G220-T222 PolarHBondContact O-OG1 2.84Å; T222-F224 HydrophobicContact CG2-CD2 4.21Å; T222-F224 HydrophobicContact CG2-CE2 3.53Å; T222-F224 HydrophobicContact CG2-CZ 3.85Å; T222-E249 HydrophobicContact CG2-CB 3.68Å; T222-E249 HydrophobicContact CG2-CG 4.38Å; T222-F250 HydrophobicContact CG2-CD1 4.46Å; T222-F250 HydrophobicContact CG2-CE1 4.09Å
223	H	97.3	Very high	87.4	Confident	17 Å²	17	45.5 Å²	45.5	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.6	-178.2	-59.7	159.9	0	0	0	110.5	D188 H194 D196 F200 A208 H209	D188-H223 WeakPolarHBondContact O-CA 3.49Å; H194-H223 AromaticContact CD2-CE1 3.79Å; H194-H223 AromaticContact CD2-CG 3.9Å; H194-H223 AromaticContact CD2-ND1 3.24Å; H194-H223 PolarHBondContact CD2-ND1 2.95Å; H194-H223 AromaticContact NE2-CG 3.62Å; H194-H223 AromaticContact NE2-ND1 3.07Å; H194-H223 PolarHBondContact NE2-ND1 3Å; D196-H223 IonicContact OD2-CE1 2.64Å; D196-H223 PolarHBondContact OD2-CE1 2.93Å; D196-H223 VanDerWaalsContact OD2-CE1 3.3Å; D196-H223 IonicContact OD2-ND1 3.53Å; D196-H223 PolarHBondContact OD2-ND1 3.04Å; F200-H223 HydrophobicContact CE2-CB 4.29Å; F200-H223 HydrophobicContact CZ-CB 3.91Å; A208-H223 CarbonylContact C-O 3.6Å; A208-H223 WeakPolarHBondContact CA-O 3.5Å; A208-H223 VanDerWaalsContact CB-O 3.29Å; A208-H223 WeakPolarHBondContact CB-O 3.24Å; H209-H223 PolarHBondContact N-O 2.81Å; H209-H223 AromaticContact NE2-ND1 3.53Å; H209-H223 PolarHBondContact O-N 3.24Å
224	F	97.3	Very high	86	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.9	176.1	-65.4	-91	0	0	0	109.3	M160 I187 D188 F189 T190 A208 T222 D226 W230 L242 V245 A246 E249	M160-F224 HydrophobicContact CE-CE1 4.46Å; M160-F224 HydrophobicContact CE-CE2 4.07Å; M160-F224 HydrophobicContact CE-CZ 3.85Å; M160-F224 HydrophobicContact SD-CE2 3.98Å; M160-F224 HydrophobicContact SD-CZ 3.98Å; I187-F224 HydrophobicContact CG2-CD2 4.07Å; I187-F224 HydrophobicContact CG2-CE2 3.79Å; D188-F224 PolarHBondContact O-N 3.01Å; F189-F224 WeakPolarHBondContact CA-O 3.38Å; F189-F224 HydrophobicContact CD1-CB 3.66Å; F189-F224 HydrophobicContact CD1-CG 4.45Å; F189-F224 HydrophobicContact CE1-CB 3.68Å; F189-F224 HydrophobicContact CE1-CD2 4.4Å; F189-F224 HydrophobicContact CE1-CG 4.05Å; F189-F224 HydrophobicContact CE2-CD2 4.29Å; F189-F224 HydrophobicContact CG-CB 4.22Å; F189-F224 HydrophobicContact CZ-CB 4.26Å; F189-F224 HydrophobicContact CZ-CD2 4.12Å; F189-F224 HydrophobicContact CZ-CG 4.19Å; T190-F224 PolarHBondContact N-O 2.75Å; A208-F224 HydrophobicContact CB-CD1 3.93Å; A208-F224 HydrophobicContact CB-CE1 4.45Å; A208-F224 HydrophobicContact CB-CG 4.46Å; T222-F224 HydrophobicContact CG2-CD2 4.21Å; T222-F224 HydrophobicContact CG2-CE2 3.53Å; T222-F224 HydrophobicContact CG2-CZ 3.85Å; F224-D226 PolarHBondContact O-N 3.18Å; F224-W230 HydrophobicContact CB-CH2 4.43Å; F224-W230 HydrophobicContact CB-CZ2 3.79Å; F224-W230 AromaticContact CD1-CH2 3.71Å; F224-W230 HydrophobicContact CD1-CH2 3.71Å; F224-W230 AromaticContact CD1-CZ2 3.94Å; F224-W230 HydrophobicContact CD1-CZ2 3.94Å; F224-W230 HydrophobicContact CD1-CZ3 4.22Å; F224-W230 HydrophobicContact CG-CZ2 4.37Å; F224-L242 HydrophobicContact CD1-CD1 3.85Å; F224-L242 HydrophobicContact CE1-CD1 3.85Å; F224-L242 HydrophobicContact CG-CD1 4.44Å; F224-L242 HydrophobicContact CZ-CD1 4.44Å; F224-V245 HydrophobicContact CD1-CG1 4.26Å; F224-V245 HydrophobicContact CE1-CB 4.47Å; F224-V245 HydrophobicContact CE1-CG1 4.03Å; F224-A246 HydrophobicContact CE1-CB 4.19Å; F224-A246 HydrophobicContact CZ-CB 3.88Å; F224-E249 HydrophobicContact CE1-CG 4.45Å
225	D	95	Very high	84.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	115.5	178	-168.5	-0.9	0	0	0	110.9	T190 F200 G202 V207 D227 E228 W230	T190-D225 CarbonylContact O-C 3.58Å; T190-D225 WeakPolarHBondContact O-CA 3.25Å; F200-D225 HydrophobicContact CB-CB 4.18Å; F200-D225 HydrophobicContact CD1-CB 4.25Å; F200-D225 HydrophobicContact CD2-CB 3.61Å; F200-D225 HydrophobicContact CE2-CB 3.98Å; F200-D225 HydrophobicContact CG-CB 3.77Å; F200-D225 HydrophobicContact CZ-CB 4.47Å; G202-D225 VanDerWaalsContact CA-OD2 3.3Å; G202-D225 WeakPolarHBondContact CA-OD2 3.35Å; G202-D225 PolarHBondContact N-OD2 2.9Å; V207-D225 PolarHBondContact O-N 3.35Å; D225-D227 PolarHBondContact O-N 2.73Å; D225-D227 PolarHBondContact OD1-N 2.68Å; D225-E228 HydrophobicContact CB-CG 4.16Å; D225-E228 WeakPolarHBondContact O-CB 3.48Å; D225-E228 PolarHBondContact O-N 2.86Å; D225-W230 PolarHBondContact O-NE1 3.11Å
226	D	92.8	Very high	83.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.6	177.5	-177.6	40.8	0	0	0	111.9	P145 K146 F189 T190 K191 F224	P145-D226 VanDerWaalsContact CA-OD1 3.29Å; P145-D226 WeakPolarHBondContact CA-OD1 3.12Å; K146-D226 PolarHBondContact N-OD1 2.71Å; K146-D226 IonicContact NZ-OD2 3.7Å; K146-D226 PolarHBondContact NZ-OD2 2.94Å; F189-D226 HydrophobicContact CB-CB 4.06Å; T190-D226 WeakPolarHBondContact O-CB 3.4Å; T190-D226 PolarHBondContact O-N 3.1Å; K191-D226 HydrophobicContact CD-CB 4.45Å; K191-D226 VanDerWaalsContact CE-OD2 3.29Å; K191-D226 WeakPolarHBondContact CE-OD2 3.15Å; K191-D226 HydrophobicContact CG-CB 3.66Å; K191-D226 VanDerWaalsContact NZ-C 3.27Å; K191-D226 PolarHBondContact NZ-O 2.65Å; F224-D226 PolarHBondContact O-N 3.18Å
227	D	88.4	Confident	81.7	Confident	68 Å²	68	40.2 Å²	40.2	36%	0.364	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.8	163	-80.1	-43.7	0	0	0	113.4	K191 P203 D225	K191-D227 WeakPolarHBondContact CD-OD1 3.43Å; K191-D227 WeakPolarHBondContact CD-OD2 3.39Å; K191-D227 IonicContact NZ-OD1 3.57Å; K191-D227 PolarHBondContact NZ-OD1 3.22Å; P203-D227 HydrophobicContact CG-CB 4.25Å; D225-D227 PolarHBondContact O-N 2.73Å; D225-D227 PolarHBondContact OD1-N 2.68Å
228	E	88.9	Confident	80.5	Confident	11 Å²	11	35.8 Å²	35.8	5%	0.051	21%	0.208	C	C	.	.	S	Bend	trans	-74.4	149.4	178	-83.6	-69.1	-175.1	0	0	114.7	G204 V207 D225 W230	G204-E228 WeakPolarHBondContact CA-OE1 3.4Å; G204-E228 PolarHBondContact N-OE1 3.04Å; V207-E228 HydrophobicContact CB-CG 4.38Å; D225-E228 HydrophobicContact CB-CG 4.16Å; D225-E228 WeakPolarHBondContact O-CB 3.48Å; D225-E228 PolarHBondContact O-N 2.86Å; E228-W230 VanDerWaalsContact C-N 3.26Å; E228-W230 HydrophobicContact CB-CD2 4.35Å; E228-W230 HydrophobicContact CB-CZ2 3.79Å; E228-W230 HydrophobicContact CG-CZ2 4.35Å; E228-W230 VanDerWaalsContact O-CD1 3.32Å; E228-W230 PolarHBondContact O-N 3.36Å
229	A	86.9	Confident	80.2	Confident	54 Å²	54	35.2 Å²	35.2	45%	0.446	21%	0.207	S	C	.	.			trans	-82.3	64.8	-178.9	0	0	0	0	0	111.8	T231 G239 M240	A229-T231 PolarHBondContact O-N 2.84Å; A229-G239 WeakPolarHBondContact O-CA 3.47Å; A229-M240 PolarHBondContact O-N 2.87Å
230	W	90.1	Very high	80.2	Confident	2 Å²	2	35 Å²	35	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	127.7	-177.7	-58.5	104.7	0	0	0	113.6	S148 L151 F189 V207 F224 D225 E228 M240 L242 V245	S148-W230 WeakPolarHBondContact OG-CB 3.37Å; L151-W230 HydrophobicContact CD1-CB 3.65Å; F189-W230 AromaticContact CD1-NE1 3.88Å; F189-W230 AromaticContact CE1-CD1 3.95Å; F189-W230 HydrophobicContact CE1-CD2 4.41Å; F189-W230 HydrophobicContact CE1-CG 4.28Å; F189-W230 AromaticContact CE1-NE1 3.86Å; V207-W230 HydrophobicContact CB-CH2 4.4Å; V207-W230 WeakPolarHBondContact O-CZ2 3.49Å; F224-W230 HydrophobicContact CB-CH2 4.43Å; F224-W230 HydrophobicContact CB-CZ2 3.79Å; F224-W230 AromaticContact CD1-CH2 3.71Å; F224-W230 HydrophobicContact CD1-CH2 3.71Å; F224-W230 AromaticContact CD1-CZ2 3.94Å; F224-W230 HydrophobicContact CD1-CZ2 3.94Å; F224-W230 HydrophobicContact CD1-CZ3 4.22Å; F224-W230 HydrophobicContact CG-CZ2 4.37Å; D225-W230 PolarHBondContact O-NE1 3.11Å; E228-W230 VanDerWaalsContact C-N 3.26Å; E228-W230 HydrophobicContact CB-CD2 4.35Å; E228-W230 HydrophobicContact CB-CZ2 3.79Å; E228-W230 HydrophobicContact CG-CZ2 4.35Å; E228-W230 VanDerWaalsContact O-CD1 3.32Å; E228-W230 PolarHBondContact O-N 3.36Å; W230-M240 CarbonylContact C-O 3.57Å; W230-M240 WeakPolarHBondContact CA-O 3.35Å; W230-M240 HydrophobicContact CD2-CB 4.47Å; W230-M240 HydrophobicContact CE3-CB 3.85Å; W230-M240 HydrophobicContact CE3-CG 3.75Å; W230-M240 HydrophobicContact CH2-CG 3.76Å; W230-M240 HydrophobicContact CZ3-CB 3.94Å; W230-M240 HydrophobicContact CZ3-CG 3.29Å; W230-L242 HydrophobicContact CB-CB 4.49Å; W230-L242 HydrophobicContact CD2-CD1 3.8Å; W230-L242 HydrophobicContact CE3-CB 3.82Å; W230-L242 HydrophobicContact CE3-CD1 3.46Å; W230-L242 VanDerWaalsContact CE3-CD1 3.46Å; W230-L242 HydrophobicContact CE3-CG 4.23Å; W230-L242 HydrophobicContact CG-CD1 4.39Å; W230-L242 HydrophobicContact CZ3-CD1 3.84Å; W230-V245 HydrophobicContact CH2-CB 4.21Å; W230-V245 HydrophobicContact CH2-CG1 4.01Å; W230-V245 HydrophobicContact CH2-CG2 4.27Å; W230-V245 HydrophobicContact CZ3-CB 3.85Å; W230-V245 HydrophobicContact CZ3-CG1 4.17Å; W230-V245 HydrophobicContact CZ3-CG2 3.84Å
231	T	87.1	Confident	80.3	Confident	14 Å²	14	35.1 Å²	35.1	9%	0.086	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	174.1	177.4	61.4	0	0	0	0	111.7	L150 A229 M240 L242	L150-T231 HydrophobicContact CD1-CG2 4.43Å; A229-T231 PolarHBondContact O-N 2.84Å; T231-M240 PolarHBondContact N-O 2.97Å; T231-L242 PolarHBondContact O-N 3.21Å
232	F	82.2	Confident	80.3	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.066	20%	0.202	C	C	.	.	S	Bend	trans	-154.6	135.9	174.6	171.2	-122	0	0	0	110	L151 T155 L159 S234 P277 L318	L151-F232 HydrophobicContact CD2-CB 3.76Å; T155-F232 HydrophobicContact CG2-CD1 4.18Å; L159-F232 HydrophobicContact CD1-CB 3.74Å; L159-F232 HydrophobicContact CD1-CD1 4.28Å; L159-F232 HydrophobicContact CD1-CD2 4.17Å; L159-F232 HydrophobicContact CD1-CG 3.79Å; L159-F232 HydrophobicContact CD2-CB 4.42Å; L159-F232 HydrophobicContact CD2-CD1 3.87Å; L159-F232 HydrophobicContact CD2-CD2 3.31Å; L159-F232 HydrophobicContact CD2-CE1 3.87Å; L159-F232 HydrophobicContact CD2-CE2 3.33Å; L159-F232 HydrophobicContact CD2-CG 3.58Å; L159-F232 HydrophobicContact CD2-CZ 3.6Å; L159-F232 HydrophobicContact CG-CD2 4.38Å; L159-F232 HydrophobicContact CG-CG 4.29Å; F232-S234 PolarHBondContact O-N 3.12Å; F232-P277 VanDerWaalsContact CE2-CD 3.48Å; F232-P277 HydrophobicContact CE2-CG 3.38Å; F232-P277 HydrophobicContact CZ-CG 3.7Å; F232-L318 HydrophobicContact CE1-CD2 3.91Å; F232-L318 HydrophobicContact CZ-CD2 4.09Å
233	R	68.8	Low	80.2	Confident	85 Å²	85	34.7 Å²	34.7	32%	0.321	20%	0.202	S	C	.	.	S	Bend	trans	49.6	28.9	-175.1	-73.1	175.8	179.4	177.6	1.8	112.8	D276 D320	R233-D276 IonicContact CZ-OD1 2.67Å; R233-D276 IonicContact NE-OD1 3.11Å; R233-D276 IonicContact NH2-OD1 3.35Å; R233-D276 PolarHBondContact NH2-OD1 3.25Å; R233-D276 IonicContact NH2-OD2 2.73Å; R233-D320 IonicContact CZ-OD1 3.46Å; R233-D320 IonicContact NH1-OD1 2.71Å; R233-D320 PolarHBondContact NH1-OD1 2.71Å
234	S	62.5	Low	80.1	Confident	29 Å²	29	34.1 Å²	34.1	20%	0.203	20%	0.201	C	C	.	.			trans	-69.1	130.6	178	-179.5	0	0	0	0	110.3	F232 D236	F232-S234 PolarHBondContact O-N 3.12Å; S234-D236 PolarHBondContact OG-N 3.26Å; S234-D236 VanDerWaalsContact OG-N 3.13Å; S234-D236 PolarHBondContact OG-O 3.15Å; S234-D236 VanDerWaalsContact OG-O 3.08Å
235	P	48	Very low	80.1	Confident	122 Å²	122	34.4 Å²	34.4	79%	0.792	20%	0.202	S	C	*	.	S	Bend	trans	-71.7	-22.7	167.4	31.8	-34.3	0	0	0	111.7
236	D	49.8	Very low	80.3	Confident	94 Å²	94	34.4 Å²	34.4	50%	0.503	20%	0.202	S	C	.	.	S	Bend	trans	-84.7	126.4	-175.8	-51.9	-49.7	0	0	0	111.1	S234 H238	S234-D236 PolarHBondContact OG-N 3.26Å; S234-D236 VanDerWaalsContact OG-N 3.13Å; S234-D236 PolarHBondContact OG-O 3.15Å; S234-D236 VanDerWaalsContact OG-O 3.08Å; D236-H238 PolarHBondContact O-N 2.94Å
237	S	51.7	Low	80.6	Confident	101 Å²	101	34.4 Å²	34.4	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	27.9	-178.1	55.9	0	0	0	0	114.3
238	H	54.2	Low	81	Confident	94 Å²	94	31.8 Å²	31.8	44%	0.435	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	10.5	-166.3	-61.2	-32	0	0	0	114	D236 H373	D236-H238 PolarHBondContact O-N 2.94Å; H238-H373 AromaticContact CD2-CE1 3.53Å; H238-H373 AromaticContact CG-CE1 3.91Å
239	G	75.1	Confident	81.5	Confident	14 Å²	14	31.3 Å²	31.3	14%	0.144	19%	0.185	C	C	.	.	S	Bend	trans	-118.7	162.2	169.6	0	0	0	0	0	111.8	A229 Y270	A229-G239 WeakPolarHBondContact O-CA 3.47Å; G239-Y270 PolarHBondContact O-OH 2.85Å
240	M	87.2	Confident	82	Confident	8 Å²	8	28.7 Å²	28.7	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.5	175.4	-163.5	60.7	56	0	0	108.9	P105 V207 A229 W230 T231 L242 V245 Y270	P105-M240 HydrophobicContact CB-CE 3.81Å; P105-M240 HydrophobicContact CG-CE 4.21Å; V207-M240 HydrophobicContact CB-CE 4.43Å; V207-M240 HydrophobicContact CB-SD 4.36Å; V207-M240 HydrophobicContact CG1-CE 3.57Å; V207-M240 HydrophobicContact CG1-SD 3.97Å; A229-M240 PolarHBondContact O-N 2.87Å; W230-M240 CarbonylContact C-O 3.57Å; W230-M240 WeakPolarHBondContact CA-O 3.35Å; W230-M240 HydrophobicContact CD2-CB 4.47Å; W230-M240 HydrophobicContact CE3-CB 3.85Å; W230-M240 HydrophobicContact CE3-CG 3.75Å; W230-M240 HydrophobicContact CH2-CG 3.76Å; W230-M240 HydrophobicContact CZ3-CB 3.94Å; W230-M240 HydrophobicContact CZ3-CG 3.29Å; T231-M240 PolarHBondContact N-O 2.97Å; M240-L242 PolarHBondContact O-N 3.32Å; M240-L242 VanDerWaalsContact O-N 3.12Å; M240-V245 HydrophobicContact CG-CG2 3.88Å; M240-V245 HydrophobicContact SD-CG2 3.89Å; M240-Y270 HydrophobicContact CE-CD1 3.96Å; M240-Y270 HydrophobicContact CE-CE1 4.13Å; M240-Y270 HydrophobicContact CE-CG 4.36Å; M240-Y270 HydrophobicContact SD-CD1 3.56Å; M240-Y270 VanDerWaalsContact SD-CD1 3.56Å; M240-Y270 HydrophobicContact SD-CD2 3.62Å; M240-Y270 HydrophobicContact SD-CE1 3.57Å; M240-Y270 VanDerWaalsContact SD-CE1 3.57Å; M240-Y270 HydrophobicContact SD-CE2 3.66Å; M240-Y270 HydrophobicContact SD-CG 3.56Å; M240-Y270 VanDerWaalsContact SD-CG 3.56Å
241	D	91.3	Very high	82.4	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	111.6	-178.8	-174.6	-83.3	0	0	0	109.8	F243 A244 V245 Y270 P273	D241-F243 PolarHBondContact O-N 2.73Å; D241-F243 WeakPolarHBondContact OD1-CB 3.44Å; D241-F243 PolarHBondContact OD1-N 3.28Å; D241-F243 VanDerWaalsContact OD1-N 3.11Å; D241-A244 HydrophobicContact CB-CB 4.06Å; D241-A244 PolarHBondContact O-N 2.75Å; D241-A244 PolarHBondContact OD1-N 3.17Å; D241-V245 PolarHBondContact O-N 2.75Å; D241-V245 VanDerWaalsContact O-N 3.15Å; D241-Y270 PolarHBondContact N-OH 3.03Å; D241-P273 HydrophobicContact CB-CB 3.85Å; D241-P273 HydrophobicContact CB-CG 4.03Å
242	L	94.9	Very high	82.8	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-26.8	-172.4	-178.6	61.1	0	0	0	112.2	L151 V156 L159 M160 F189 F224 W230 T231 M240 A246	L151-L242 HydrophobicContact CD1-CB 4.23Å; L151-L242 HydrophobicContact CD1-CD2 3.73Å; V156-L242 HydrophobicContact CG1-CD2 4.3Å; V156-L242 HydrophobicContact CG2-CD2 4.17Å; L159-L242 HydrophobicContact CD1-CB 4.38Å; L159-L242 HydrophobicContact CD1-CD2 4.18Å; M160-L242 HydrophobicContact CE-CD1 3.61Å; M160-L242 HydrophobicContact CE-CD2 3.81Å; M160-L242 HydrophobicContact CE-CG 3.59Å; F189-L242 HydrophobicContact CE1-CD1 3.93Å; F189-L242 HydrophobicContact CE1-CD2 4.44Å; F189-L242 HydrophobicContact CZ-CD1 3.84Å; F189-L242 HydrophobicContact CZ-CD2 4.01Å; F224-L242 HydrophobicContact CD1-CD1 3.85Å; F224-L242 HydrophobicContact CE1-CD1 3.85Å; F224-L242 HydrophobicContact CG-CD1 4.44Å; F224-L242 HydrophobicContact CZ-CD1 4.44Å; W230-L242 HydrophobicContact CB-CB 4.49Å; W230-L242 HydrophobicContact CD2-CD1 3.8Å; W230-L242 HydrophobicContact CE3-CB 3.82Å; W230-L242 HydrophobicContact CE3-CD1 3.46Å; W230-L242 VanDerWaalsContact CE3-CD1 3.46Å; W230-L242 HydrophobicContact CE3-CG 4.23Å; W230-L242 HydrophobicContact CG-CD1 4.39Å; W230-L242 HydrophobicContact CZ3-CD1 3.84Å; T231-L242 PolarHBondContact O-N 3.21Å; M240-L242 PolarHBondContact O-N 3.32Å; M240-L242 VanDerWaalsContact O-N 3.12Å; L242-A246 WeakPolarHBondContact O-CB 3.44Å; L242-A246 PolarHBondContact O-N 3.18Å
243	F	95.5	Very high	83.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-75.5	-44.4	176.7	172.2	-107.3	0	0	0	111.5	L159 A163 V166 D241 V245 A246 V247 V274 P277 Y280	L159-F243 HydrophobicContact CD2-CB 4.15Å; A163-F243 HydrophobicContact CB-CD2 3.99Å; A163-F243 HydrophobicContact CB-CE2 4.13Å; V166-F243 HydrophobicContact CG2-CE2 4.2Å; V166-F243 HydrophobicContact CG2-CZ 3.88Å; D241-F243 PolarHBondContact O-N 2.73Å; D241-F243 WeakPolarHBondContact OD1-CB 3.44Å; D241-F243 PolarHBondContact OD1-N 3.28Å; D241-F243 VanDerWaalsContact OD1-N 3.11Å; F243-V245 PolarHBondContact O-N 3.4Å; F243-A246 PolarHBondContact O-N 2.99Å; F243-V247 HydrophobicContact CD2-CG2 4.15Å; F243-V247 HydrophobicContact CE1-CG2 4.33Å; F243-V247 HydrophobicContact CE2-CG2 3.76Å; F243-V247 HydrophobicContact CZ-CG2 3.87Å; F243-V247 WeakPolarHBondContact O-CG2 3.34Å; F243-V247 PolarHBondContact O-N 3.26Å; F243-V274 HydrophobicContact CD1-CG2 3.54Å; F243-V274 HydrophobicContact CE1-CG2 3.56Å; F243-P277 HydrophobicContact CB-CG 4.38Å; F243-P277 HydrophobicContact CD1-CB 4.31Å; F243-P277 HydrophobicContact CD1-CG 3.83Å; F243-P277 HydrophobicContact CD2-CB 3.95Å; F243-P277 HydrophobicContact CD2-CG 3.89Å; F243-P277 HydrophobicContact CE1-CB 4.02Å; F243-P277 HydrophobicContact CE1-CG 4.01Å; F243-P277 HydrophobicContact CE2-CB 3.64Å; F243-P277 HydrophobicContact CE2-CG 4.07Å; F243-P277 HydrophobicContact CG-CB 4.28Å; F243-P277 HydrophobicContact CG-CG 3.77Å; F243-P277 HydrophobicContact CZ-CB 3.67Å; F243-P277 HydrophobicContact CZ-CG 4.12Å; F243-Y280 HydrophobicContact CE1-CD1 4.01Å; F243-Y280 AromaticContact CE1-CG 3.86Å; F243-Y280 HydrophobicContact CE1-CG 3.86Å; F243-Y280 AromaticContact CZ-CD1 3.93Å; F243-Y280 HydrophobicContact CZ-CD1 3.93Å; F243-Y280 HydrophobicContact CZ-CG 4.14Å
244	A	95.3	Very high	84.8	Confident	5 Å²	5	23.2 Å²	23.2	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-55.8	-48.2	175	0	0	0	0	0	112	D241 H248 Y270 V274	D241-A244 HydrophobicContact CB-CB 4.06Å; D241-A244 PolarHBondContact O-N 2.75Å; D241-A244 PolarHBondContact OD1-N 3.17Å; A244-H248 PolarHBondContact O-N 3.32Å; A244-Y270 HydrophobicContact CB-CE2 4.2Å; A244-V274 HydrophobicContact CB-CB 4.47Å; A244-V274 HydrophobicContact CB-CG1 3.86Å; A244-V274 HydrophobicContact CB-CG2 4.06Å
245	V	97.4	Very high	86	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.03	14%	0.135	C	C	.	.	H	α-helix	trans	-69.9	-42.8	177.8	-176.8	0	0	0	0	111.3	V207 A208 F224 W230 M240 D241 F243 V247 H248 E249 Y270	V207-V245 HydrophobicContact CG2-CG1 3.91Å; V207-V245 HydrophobicContact CG2-CG2 4.22Å; A208-V245 HydrophobicContact CB-CG1 3.69Å; F224-V245 HydrophobicContact CD1-CG1 4.26Å; F224-V245 HydrophobicContact CE1-CB 4.47Å; F224-V245 HydrophobicContact CE1-CG1 4.03Å; W230-V245 HydrophobicContact CH2-CB 4.21Å; W230-V245 HydrophobicContact CH2-CG1 4.01Å; W230-V245 HydrophobicContact CH2-CG2 4.27Å; W230-V245 HydrophobicContact CZ3-CB 3.85Å; W230-V245 HydrophobicContact CZ3-CG1 4.17Å; W230-V245 HydrophobicContact CZ3-CG2 3.84Å; M240-V245 HydrophobicContact CG-CG2 3.88Å; M240-V245 HydrophobicContact SD-CG2 3.89Å; D241-V245 PolarHBondContact O-N 2.75Å; D241-V245 VanDerWaalsContact O-N 3.15Å; F243-V245 PolarHBondContact O-N 3.4Å; V245-V247 VanDerWaalsContact C-N 3.3Å; V245-V247 PolarHBondContact O-N 3.33Å; V245-H248 WeakPolarHBondContact O-CA 3.24Å; V245-H248 WeakPolarHBondContact O-CB 3.4Å; V245-H248 PolarHBondContact O-N 3.47Å; V245-E249 HydrophobicContact CG1-CG 3.98Å; V245-E249 WeakPolarHBondContact O-CG 3.46Å; V245-E249 PolarHBondContact O-N 3.39Å; V245-Y270 HydrophobicContact CG2-CD2 4.06Å; V245-Y270 HydrophobicContact CG2-CE2 4.18Å
246	A	98.4	Very high	88.1	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-34.9	177.7	0	0	0	0	0	113.2	M160 A163 F224 L242 F243 F250	M160-A246 HydrophobicContact CE-CB 3.83Å; M160-A246 HydrophobicContact SD-CB 3.99Å; A163-A246 HydrophobicContact CB-CB 3.6Å; F224-A246 HydrophobicContact CE1-CB 4.19Å; F224-A246 HydrophobicContact CZ-CB 3.88Å; L242-A246 WeakPolarHBondContact O-CB 3.44Å; L242-A246 PolarHBondContact O-N 3.18Å; F243-A246 PolarHBondContact O-N 2.99Å; A246-F250 HydrophobicContact CB-CD2 4.27Å; A246-F250 HydrophobicContact CB-CE2 3.94Å; A246-F250 VanDerWaalsContact O-CB 3.32Å; A246-F250 WeakPolarHBondContact O-CB 3.45Å; A246-F250 WeakPolarHBondContact O-CD2 3.5Å; A246-F250 WeakPolarHBondContact O-CG 3.15Å; A246-F250 PolarHBondContact O-N 2.99Å
247	V	98.4	Very high	90	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-42.3	173.4	175.5	0	0	0	0	110.8	A163 V166 W167 F243 V245 G251 I265 Y280 L282	A163-V247 HydrophobicContact CB-CG2 3.74Å; V166-V247 HydrophobicContact CG1-CG1 4.08Å; V166-V247 HydrophobicContact CG1-CG2 4.46Å; V166-V247 HydrophobicContact CG2-CG2 4.47Å; W167-V247 HydrophobicContact CZ2-CG1 4.04Å; W167-V247 WeakPolarHBondContact CZ2-O 3.27Å; W167-V247 PolarHBondContact NE1-O 3.39Å; F243-V247 HydrophobicContact CD2-CG2 4.15Å; F243-V247 HydrophobicContact CE1-CG2 4.33Å; F243-V247 HydrophobicContact CE2-CG2 3.76Å; F243-V247 HydrophobicContact CZ-CG2 3.87Å; F243-V247 WeakPolarHBondContact O-CG2 3.34Å; F243-V247 PolarHBondContact O-N 3.26Å; V245-V247 VanDerWaalsContact C-N 3.3Å; V245-V247 PolarHBondContact O-N 3.33Å; V247-G251 PolarHBondContact O-N 2.94Å; V247-G251 VanDerWaalsContact O-N 3.12Å; V247-I265 HydrophobicContact CB-CG1 4.19Å; V247-I265 HydrophobicContact CG1-CG1 3.79Å; V247-I265 HydrophobicContact CG1-CG2 4.15Å; V247-Y280 HydrophobicContact CG1-CE1 4.12Å; V247-Y280 HydrophobicContact CG2-CE1 4.49Å; V247-L282 HydrophobicContact CG1-CD2 4.11Å
248	H	98.3	Very high	91.9	Very high	13 Å²	13	11.6 Å²	11.6	6%	0.06	7%	0.066	C	C	.	.	H	α-helix	trans	-59.4	-55.3	174.5	-177.7	108.6	0	0	0	111.3	C107 A244 V245 F250 G251 H252 H258 I265 M266 R267	C107-H248 WeakPolarHBondContact CB-NE2 3.22Å; A244-H248 PolarHBondContact O-N 3.32Å; V245-H248 WeakPolarHBondContact O-CA 3.24Å; V245-H248 WeakPolarHBondContact O-CB 3.4Å; V245-H248 PolarHBondContact O-N 3.47Å; H248-F250 PolarHBondContact O-N 2.86Å; H248-G251 VanDerWaalsContact O-CA 3.28Å; H248-G251 WeakPolarHBondContact O-CA 3.33Å; H248-G251 PolarHBondContact O-N 2.85Å; H248-H252 AromaticContact CD2-CD2 3.74Å; H248-H252 AromaticContact CD2-NE2 3.7Å; H248-H252 AromaticContact NE2-CD2 3.7Å; H248-H252 AromaticContact NE2-NE2 3.14Å; H248-H252 PolarHBondContact NE2-NE2 2.96Å; H248-H252 VanDerWaalsContact NE2-NE2 3.14Å; H248-H252 PolarHBondContact O-N 3.22Å; H248-H258 AromaticContact CE1-CD2 3.78Å; H248-H258 AromaticContact CE1-NE2 3.84Å; H248-H258 AromaticContact NE2-CD2 3.67Å; H248-H258 AromaticContact NE2-NE2 3.42Å; H248-H258 PolarHBondContact NE2-NE2 3.01Å; H248-I265 HydrophobicContact CB-CG1 4.47Å; H248-I265 PolarHBondContact ND1-O 2.93Å; H248-M266 WeakPolarHBondContact O-CE 3.3Å; H248-R267 PolarHBondContact CE1-O 3.32Å; H248-R267 PolarHBondContact ND1-O 3.4Å
249	E	98.4	Very high	93.5	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-66.3	-37.9	-175.5	-61.2	-49.4	147.7	0	0	112.8	A208 H209 A210 T222 F224 V245 G251 H252 A253	A208-E249 HydrophobicContact CB-CG 3.64Å; H209-E249 WeakPolarHBondContact CA-OE2 3.22Å; A210-E249 HydrophobicContact CB-CB 4.13Å; A210-E249 VanDerWaalsContact CB-O 3.28Å; A210-E249 WeakPolarHBondContact CB-O 3.17Å; A210-E249 PolarHBondContact N-OE2 3.17Å; T222-E249 HydrophobicContact CG2-CB 3.68Å; T222-E249 HydrophobicContact CG2-CG 4.38Å; F224-E249 HydrophobicContact CE1-CG 4.45Å; V245-E249 HydrophobicContact CG1-CG 3.98Å; V245-E249 WeakPolarHBondContact O-CG 3.46Å; V245-E249 PolarHBondContact O-N 3.39Å; E249-G251 PolarHBondContact O-N 3.13Å; E249-H252 CarbonylContact O-C 3.58Å; E249-H252 WeakPolarHBondContact O-CA 3.36Å; E249-H252 WeakPolarHBondContact O-CB 3.24Å; E249-H252 PolarHBondContact O-N 3.21Å; E249-H252 IonicContact OE2-CD2 2.85Å; E249-H252 PolarHBondContact OE2-CD2 2.65Å; E249-A253 PolarHBondContact O-N 3.41Å
250	F	98.6	Very high	94	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.6	-22.2	172	-62.8	-36	0	0	0	113	M160 A163 L164 I185 I187 T222 A246 H248 A253 I254	M160-F250 HydrophobicContact CB-CE2 4.39Å; M160-F250 HydrophobicContact CB-CZ 4.38Å; M160-F250 HydrophobicContact CG-CZ 4.5Å; M160-F250 HydrophobicContact SD-CE2 3.8Å; M160-F250 HydrophobicContact SD-CZ 3.51Å; M160-F250 VanDerWaalsContact SD-CZ 3.51Å; A163-F250 HydrophobicContact CB-CD2 3.7Å; A163-F250 HydrophobicContact CB-CE2 3.86Å; L164-F250 HydrophobicContact CD1-CE2 4.35Å; L164-F250 HydrophobicContact CD1-CZ 4.47Å; L164-F250 HydrophobicContact CD2-CB 3.9Å; L164-F250 HydrophobicContact CD2-CD1 3.78Å; L164-F250 HydrophobicContact CD2-CD2 3.53Å; L164-F250 HydrophobicContact CD2-CE1 4.17Å; L164-F250 HydrophobicContact CD2-CE2 3.94Å; L164-F250 HydrophobicContact CD2-CG 3.45Å; L164-F250 VanDerWaalsContact CD2-CG 3.45Å; L164-F250 HydrophobicContact CD2-CZ 4.25Å; L164-F250 HydrophobicContact CG-CD2 3.61Å; L164-F250 HydrophobicContact CG-CE2 3.65Å; L164-F250 HydrophobicContact CG-CG 4.08Å; L164-F250 HydrophobicContact CG-CZ 4.16Å; I185-F250 HydrophobicContact CG2-CD1 4.21Å; I185-F250 HydrophobicContact CG2-CE1 3.84Å; I187-F250 HydrophobicContact CD1-CE1 3.94Å; I187-F250 HydrophobicContact CD1-CZ 3.57Å; I187-F250 HydrophobicContact CG1-CE1 3.87Å; I187-F250 HydrophobicContact CG1-CZ 3.89Å; T222-F250 HydrophobicContact CG2-CD1 4.46Å; T222-F250 HydrophobicContact CG2-CE1 4.09Å; A246-F250 HydrophobicContact CB-CD2 4.27Å; A246-F250 HydrophobicContact CB-CE2 3.94Å; A246-F250 VanDerWaalsContact O-CB 3.32Å; A246-F250 WeakPolarHBondContact O-CB 3.45Å; A246-F250 WeakPolarHBondContact O-CD2 3.5Å; A246-F250 WeakPolarHBondContact O-CG 3.15Å; A246-F250 PolarHBondContact O-N 2.99Å; H248-F250 PolarHBondContact O-N 2.86Å; F250-A253 HydrophobicContact CD1-CB 4.35Å; F250-A253 PolarHBondContact O-N 3.25Å; F250-I254 WeakPolarHBondContact O-CG1 3.33Å; F250-I254 WeakPolarHBondContact O-CG2 3.45Å; F250-I254 PolarHBondContact O-N 2.68Å
251	G	97.1	Very high	93.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-44.4	165.1	0	0	0	0	0	112.3	V247 H248 E249 I254 G255 L256	V247-G251 PolarHBondContact O-N 2.94Å; V247-G251 VanDerWaalsContact O-N 3.12Å; H248-G251 VanDerWaalsContact O-CA 3.28Å; H248-G251 WeakPolarHBondContact O-CA 3.33Å; H248-G251 PolarHBondContact O-N 2.85Å; E249-G251 PolarHBondContact O-N 3.13Å; G251-I254 WeakPolarHBondContact O-CG1 3.43Å; G251-I254 PolarHBondContact O-N 3.23Å; G251-G255 PolarHBondContact O-N 3.04Å; G251-L256 WeakPolarHBondContact O-CB 3.43Å; G251-L256 PolarHBondContact O-N 3.44Å
252	H	95.8	Very high	93.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-45.8	171.5	-71.1	-40.3	0	0	0	112.4	L109 A210 F212 H248 E249 I254 G255 L256 H258	L109-H252 HydrophobicContact CD1-CB 4.21Å; A210-H252 HydrophobicContact CB-CB 4.04Å; F212-H252 WeakPolarHBondContact CD1-O 3.48Å; F212-H252 HydrophobicContact CE1-CB 4.45Å; F212-H252 AromaticContact CE1-ND1 3.87Å; F212-H252 AromaticContact CZ-ND1 3.99Å; H248-H252 AromaticContact CD2-CD2 3.74Å; H248-H252 AromaticContact CD2-NE2 3.7Å; H248-H252 AromaticContact NE2-CD2 3.7Å; H248-H252 AromaticContact NE2-NE2 3.14Å; H248-H252 PolarHBondContact NE2-NE2 2.96Å; H248-H252 VanDerWaalsContact NE2-NE2 3.14Å; H248-H252 PolarHBondContact O-N 3.22Å; E249-H252 CarbonylContact O-C 3.58Å; E249-H252 WeakPolarHBondContact O-CA 3.36Å; E249-H252 WeakPolarHBondContact O-CB 3.24Å; E249-H252 PolarHBondContact O-N 3.21Å; E249-H252 IonicContact OE2-CD2 2.85Å; E249-H252 PolarHBondContact OE2-CD2 2.65Å; H252-I254 PolarHBondContact O-N 3.42Å; H252-I254 VanDerWaalsContact O-N 3.15Å; H252-G255 PolarHBondContact O-N 2.96Å; H252-L256 PolarHBondContact ND1-O 3.22Å; H252-H258 AromaticContact CE1-CD2 3.43Å; H252-H258 PolarHBondContact CE1-CD2 2.9Å; H252-H258 VanDerWaalsContact CE1-CD2 3.43Å; H252-H258 AromaticContact CE1-NE2 3.71Å; H252-H258 AromaticContact NE2-CD2 3.37Å; H252-H258 PolarHBondContact NE2-CD2 2.65Å; H252-H258 AromaticContact NE2-NE2 3.2Å; H252-H258 PolarHBondContact NE2-NE2 3.38Å
253	A	96.7	Very high	92.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-20.6	177.5	0	0	0	0	0	113.6	W132 I185 A210 P213 E249 F250	W132-A253 PolarHBondContact NE1-O 3.07Å; I185-A253 HydrophobicContact CD1-CB 4.23Å; A210-A253 HydrophobicContact CB-CB 4.06Å; P213-A253 WeakPolarHBondContact CG-O 3.36Å; E249-A253 PolarHBondContact O-N 3.41Å; F250-A253 HydrophobicContact CD1-CB 4.35Å; F250-A253 PolarHBondContact O-N 3.25Å
254	I	95.9	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-100.7	-3.7	169	73.8	-179	0	0	0	114.3	W167 L173 F175 F250 G251 H252 V290 Y294	W167-I254 HydrophobicContact CB-CD1 3.85Å; W167-I254 HydrophobicContact CD2-CD1 3.68Å; W167-I254 HydrophobicContact CE3-CD1 3.85Å; W167-I254 HydrophobicContact CG-CD1 3.69Å; L173-I254 HydrophobicContact CD1-CB 4.2Å; L173-I254 HydrophobicContact CD1-CD1 4.2Å; L173-I254 HydrophobicContact CD1-CG2 3.91Å; F175-I254 HydrophobicContact CE1-CG2 4.32Å; F175-I254 HydrophobicContact CZ-CG2 3.94Å; F250-I254 WeakPolarHBondContact O-CG1 3.33Å; F250-I254 WeakPolarHBondContact O-CG2 3.45Å; F250-I254 PolarHBondContact O-N 2.68Å; G251-I254 WeakPolarHBondContact O-CG1 3.43Å; G251-I254 PolarHBondContact O-N 3.23Å; H252-I254 PolarHBondContact O-N 3.42Å; H252-I254 VanDerWaalsContact O-N 3.15Å; I254-V290 HydrophobicContact CD1-CG2 3.68Å; I254-Y294 HydrophobicContact CB-CE2 4.04Å; I254-Y294 HydrophobicContact CG1-CE2 4.35Å; I254-Y294 WeakPolarHBondContact O-CE2 3.49Å; I254-Y294 VanDerWaalsContact O-CZ 3.29Å; I254-Y294 PolarHBondContact O-OH 2.98Å
255	G	89.1	Confident	92.5	Very high	7 Å²	7	23.1 Å²	23.1	7%	0.072	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.3	-0.9	169	0	0	0	0	0	118.1	N130 G251 H252	N130-G255 WeakPolarHBondContact O-CA 3.35Å; G251-G255 PolarHBondContact O-N 3.04Å; H252-G255 PolarHBondContact O-N 2.96Å
256	L	91.2	Very high	92.4	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-74.1	129.5	177.3	-58.5	175.2	0	0	0	109.9	W167 F212 G251 H252 M266 R289 V290 L293	W167-L256 HydrophobicContact CE3-CD1 4.19Å; W167-L256 HydrophobicContact CH2-CD1 3.25Å; W167-L256 HydrophobicContact CZ2-CD1 3.95Å; W167-L256 HydrophobicContact CZ3-CD1 3.38Å; F212-L256 WeakPolarHBondContact CE1-O 3.42Å; G251-L256 WeakPolarHBondContact O-CB 3.43Å; G251-L256 PolarHBondContact O-N 3.44Å; H252-L256 PolarHBondContact ND1-O 3.22Å; L256-M266 HydrophobicContact CB-CE 4.06Å; L256-M266 HydrophobicContact CB-CG 4.12Å; L256-M266 HydrophobicContact CB-SD 4.19Å; L256-M266 HydrophobicContact CD1-CG 4.02Å; L256-M266 HydrophobicContact CD1-SD 4.16Å; L256-R289 HydrophobicContact CD2-CB 3.74Å; L256-V290 HydrophobicContact CD1-CB 4.41Å; L256-V290 HydrophobicContact CD2-CB 4.4Å; L256-L293 HydrophobicContact CD2-CD1 3.78Å; L256-L293 HydrophobicContact CG-CD1 4.38Å
257	V	88.7	Confident	92.2	Very high	74 Å²	74	24.4 Å²	24.4	45%	0.448	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-86.2	170.3	172.5	-61.9	0	0	0	0	111.2	F212 R289	F212-V257 HydrophobicContact CE1-CG1 3.91Å; F212-V257 HydrophobicContact CZ-CG1 3.89Å; V257-R289 PolarHBondContact O-NH1 2.9Å; V257-R289 PolarHBondContact O-NH2 3.37Å
258	H	92.3	Very high	92	Very high	15 Å²	15	24.5 Å²	24.5	7%	0.069	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-54.8	157.5	171	-72.6	154.4	0	0	0	112.9	F85 C107 L109 D111 H248 H252 M266 R289	F85-H258 HydrophobicContact CE1-CB 4.19Å; F85-H258 HydrophobicContact CZ-CB 3.87Å; C107-H258 WeakPolarHBondContact CB-NE2 3.47Å; C107-H258 PolarHBondContact SG-NE2 3.28Å; C107-H258 VanDerWaalsContact SG-NE2 3.43Å; L109-H258 PolarHBondContact O-CE1 2.88Å; D111-H258 IonicContact OD1-CE1 2.72Å; D111-H258 IonicContact OD1-CG 2.9Å; D111-H258 IonicContact OD1-ND1 3.81Å; D111-H258 PolarHBondContact OD1-ND1 3.44Å; H248-H258 AromaticContact CE1-CD2 3.78Å; H248-H258 AromaticContact CE1-NE2 3.84Å; H248-H258 AromaticContact NE2-CD2 3.67Å; H248-H258 AromaticContact NE2-NE2 3.42Å; H248-H258 PolarHBondContact NE2-NE2 3.01Å; H252-H258 AromaticContact CE1-CD2 3.43Å; H252-H258 PolarHBondContact CE1-CD2 2.9Å; H252-H258 VanDerWaalsContact CE1-CD2 3.43Å; H252-H258 AromaticContact CE1-NE2 3.71Å; H252-H258 AromaticContact NE2-CD2 3.37Å; H252-H258 PolarHBondContact NE2-CD2 2.65Å; H252-H258 AromaticContact NE2-NE2 3.2Å; H252-H258 PolarHBondContact NE2-NE2 3.38Å; H258-M266 CarbonylContact C-O 3.6Å; H258-M266 WeakPolarHBondContact CA-O 3.38Å; H258-R289 PolarHBondContact O-NH2 2.81Å
259	T	87.2	Confident	91.7	Very high	28 Å²	28	24 Å²	24	17%	0.172	13%	0.132	C	C	.	.			trans	-139.7	156	171.6	-173.5	0	0	0	0	111.9	A261 S264 M266	T259-A261 VanDerWaalsContact C-N 3.33Å; T259-A261 HydrophobicContact CG2-CB 4.13Å; T259-A261 PolarHBondContact OG1-N 3.21Å; T259-S264 VanDerWaalsContact CG2-CB 3.47Å; T259-S264 WeakPolarHBondContact CG2-OG 3.42Å; T259-M266 HydrophobicContact CG2-CB 4.22Å; T259-M266 PolarHBondContact N-O 2.98Å
260	S	85.7	Confident	91.4	Very high	58 Å²	58	26.2 Å²	26.2	41%	0.406	14%	0.141	S	C	.	.			trans	-90.5	8.5	176.2	66.4	0	0	0	0	113.5	F85 M262	F85-S260 WeakPolarHBondContact O-CA 3.12Å; F85-S260 WeakPolarHBondContact O-CB 3.28Å; S260-M262 WeakPolarHBondContact O-CE 3.33Å
261	A	82.4	Confident	90.8	Very high	29 Å²	29	30.9 Å²	30.9	24%	0.24	16%	0.163	C	C	.	.			trans	-75.4	129	174.8	0	0	0	0	0	109.7	T259 S264	T259-A261 VanDerWaalsContact C-N 3.33Å; T259-A261 HydrophobicContact CG2-CB 4.13Å; T259-A261 PolarHBondContact OG1-N 3.21Å; A261-S264 PolarHBondContact O-N 3.33Å
262	M	81.8	Confident	90.3	Very high	68 Å²	68	31.9 Å²	31.9	34%	0.335	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-54.8	-176.1	-63.3	-60.6	96.5	0	0	111.5	S260 S264 Q271	S260-M262 WeakPolarHBondContact O-CE 3.33Å; M262-S264 PolarHBondContact O-N 2.93Å; M262-Q271 PolarHBondContact O-NE2 2.85Å; M262-Q271 PolarHBondContact O-OE1 2.74Å
263	E	82.4	Confident	89.9	Confident	159 Å²	159	34.9 Å²	34.9	74%	0.743	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	5.5	-176.1	-43.3	-48.2	122.4	0	0	114.9	P283	E263-P283 WeakPolarHBondContact O-CB 3.38Å; E263-P283 WeakPolarHBondContact O-CG 3.46Å
264	S	91.3	Very high	89.4	Confident	2 Å²	2	37 Å²	37	1%	0.014	21%	0.205	C	C	.	.			trans	-84.8	140.1	-177.6	173.4	0	0	0	0	111.5	T259 A261 M262 M266 R267 Q271 D286	T259-S264 VanDerWaalsContact CG2-CB 3.47Å; T259-S264 WeakPolarHBondContact CG2-OG 3.42Å; A261-S264 PolarHBondContact O-N 3.33Å; M262-S264 PolarHBondContact O-N 2.93Å; S264-M266 PolarHBondContact O-N 3.32Å; S264-M266 PolarHBondContact OG-N 2.96Å; S264-R267 WeakPolarHBondContact O-CB 3.42Å; S264-R267 PolarHBondContact O-N 3.21Å; S264-Q271 PolarHBondContact O-NE2 2.77Å; S264-Q271 VanDerWaalsContact O-NE2 3.13Å; S264-D286 WeakPolarHBondContact CA-OD2 3.47Å; S264-D286 WeakPolarHBondContact CB-OD2 3.5Å; S264-D286 PolarHBondContact OG-OD1 3Å; S264-D286 PolarHBondContact OG-OD2 2.93Å
265	I	95.2	Very high	88.9	Confident	20 Å²	20	38.8 Å²	38.8	10%	0.103	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.1	171.3	-163	56	0	0	0	110.8	W167 V247 H248 R267 V274 L282 D286	W167-I265 HydrophobicContact CH2-CG2 4.03Å; W167-I265 HydrophobicContact CZ2-CG2 4.01Å; V247-I265 HydrophobicContact CB-CG1 4.19Å; V247-I265 HydrophobicContact CG1-CG1 3.79Å; V247-I265 HydrophobicContact CG1-CG2 4.15Å; H248-I265 HydrophobicContact CB-CG1 4.47Å; H248-I265 PolarHBondContact ND1-O 2.93Å; I265-R267 PolarHBondContact O-N 3.43Å; I265-V274 HydrophobicContact CD1-CG1 3.98Å; I265-L282 HydrophobicContact CB-CD2 4.47Å; I265-L282 HydrophobicContact CG2-CD2 3.64Å; I265-D286 HydrophobicContact CG2-CB 4.4Å; I265-D286 PolarHBondContact N-OD2 3.06Å
266	M	95.4	Very high	88.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	17.9	176.5	-57.4	-53.4	-48.7	0	0	113.9	W167 H248 L256 H258 T259 S264 D286	W167-M266 HydrophobicContact CH2-CG 4.42Å; W167-M266 HydrophobicContact CH2-SD 4.25Å; W167-M266 HydrophobicContact CZ2-SD 4.02Å; H248-M266 WeakPolarHBondContact O-CE 3.3Å; L256-M266 HydrophobicContact CB-CE 4.06Å; L256-M266 HydrophobicContact CB-CG 4.12Å; L256-M266 HydrophobicContact CB-SD 4.19Å; L256-M266 HydrophobicContact CD1-CG 4.02Å; L256-M266 HydrophobicContact CD1-SD 4.16Å; H258-M266 CarbonylContact C-O 3.6Å; H258-M266 WeakPolarHBondContact CA-O 3.38Å; T259-M266 HydrophobicContact CG2-CB 4.22Å; T259-M266 PolarHBondContact N-O 2.98Å; S264-M266 PolarHBondContact O-N 3.32Å; S264-M266 PolarHBondContact OG-N 2.96Å; M266-D286 VanDerWaalsContact CG-OD1 3.29Å; M266-D286 WeakPolarHBondContact CG-OD1 3.37Å
267	R	94	Very high	88.4	Confident	32 Å²	32	40 Å²	40	12%	0.121	23%	0.23	C	C	.	.			trans	-75.4	132.3	166.6	-174.2	176.7	178.7	-113.6	-5.9	108.6	G86 H248 S264 I265 Y269	G86-R267 PolarHBondContact O-NH2 2.75Å; G86-R267 VanDerWaalsContact O-NH2 3.12Å; H248-R267 PolarHBondContact CE1-O 3.32Å; H248-R267 PolarHBondContact ND1-O 3.4Å; S264-R267 WeakPolarHBondContact O-CB 3.42Å; S264-R267 PolarHBondContact O-N 3.21Å; I265-R267 PolarHBondContact O-N 3.43Å; R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 HydrophobicContact CG-CD2 4.47Å; R267-Y269 PolarHBondContact O-N 2.93Å
268	P	94.1	Very high	88	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.019	23%	0.232	C	C	.	.	S	Bend	trans	-61.5	-34.7	-172.6	20.4	-33.2	0	0	0	114.2	F85 R106 C107 D111	F85-P268 HydrophobicContact CD1-CG 4.4Å; F85-P268 HydrophobicContact CE1-CG 3.9Å; R106-P268 CarbonylContact C-O 3.45Å; R106-P268 WeakPolarHBondContact CA-O 3.42Å; R106-P268 WeakPolarHBondContact CB-O 3.21Å; C107-P268 PolarHBondContact N-O 2.94Å; D111-P268 WeakPolarHBondContact OD1-CB 3.44Å; D111-P268 WeakPolarHBondContact OD1-CG 3.5Å
269	Y	92.7	Very high	87.6	Confident	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-80.7	129.9	-178	-52.6	-79.6	0	0	0	110.5	W52 L101 T104 R106 R267 Q271	W52-Y269 WeakPolarHBondContact CH2-OH 3.45Å; W52-Y269 HydrophobicContact CZ2-CE1 4.23Å; L101-Y269 HydrophobicContact CD1-CD1 3.76Å; L101-Y269 HydrophobicContact CD1-CD2 3.96Å; L101-Y269 HydrophobicContact CD1-CE1 3.79Å; L101-Y269 HydrophobicContact CD1-CE2 4.02Å; L101-Y269 HydrophobicContact CD1-CG 3.84Å; L101-Y269 HydrophobicContact CD2-CE1 4.3Å; L101-Y269 HydrophobicContact CD2-CE2 3.97Å; L101-Y269 HydrophobicContact CG-CD1 4.16Å; L101-Y269 HydrophobicContact CG-CE1 3.66Å; L101-Y269 HydrophobicContact CG-CE2 4.12Å; L101-Y269 WeakPolarHBondContact O-CE1 3.27Å; T104-Y269 HydrophobicContact CG2-CD1 4.39Å; R106-Y269 HydrophobicContact CB-CD1 4.2Å; R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 HydrophobicContact CG-CD2 4.47Å; R267-Y269 PolarHBondContact O-N 2.93Å; Y269-Q271 WeakPolarHBondContact O-CG 3.47Å
270	Y	92.5	Very high	87.7	Confident	48 Å²	48	48.8 Å²	48.8	19%	0.188	26%	0.263	C	S	.	.			trans	-59.6	139.7	176.1	175.9	-116.7	0	0	0	111.4	P105 G239 M240 D241 A244 V245 G272	P105-Y270 WeakPolarHBondContact O-CB 3.41Å; P105-Y270 PolarHBondContact O-N 2.94Å; G239-Y270 PolarHBondContact O-OH 2.85Å; M240-Y270 HydrophobicContact CE-CD1 3.96Å; M240-Y270 HydrophobicContact CE-CE1 4.13Å; M240-Y270 HydrophobicContact CE-CG 4.36Å; M240-Y270 HydrophobicContact SD-CD1 3.56Å; M240-Y270 VanDerWaalsContact SD-CD1 3.56Å; M240-Y270 HydrophobicContact SD-CD2 3.62Å; M240-Y270 HydrophobicContact SD-CE1 3.57Å; M240-Y270 VanDerWaalsContact SD-CE1 3.57Å; M240-Y270 HydrophobicContact SD-CE2 3.66Å; M240-Y270 HydrophobicContact SD-CG 3.56Å; M240-Y270 VanDerWaalsContact SD-CG 3.56Å; D241-Y270 PolarHBondContact N-OH 3.03Å; A244-Y270 HydrophobicContact CB-CE2 4.2Å; V245-Y270 HydrophobicContact CG2-CD2 4.06Å; V245-Y270 HydrophobicContact CG2-CE2 4.18Å; Y270-G272 WeakPolarHBondContact OH-CA 3.25Å
271	Q	85.9	Confident	87.6	Confident	99 Å²	99	51.1 Å²	51.1	46%	0.463	27%	0.27	S	S	.	.			trans	-119.6	6.2	-169.4	-48.4	-149.7	91.6	0	0	113.5	M262 S264 Y269	M262-Q271 PolarHBondContact O-NE2 2.85Å; M262-Q271 PolarHBondContact O-OE1 2.74Å; S264-Q271 PolarHBondContact O-NE2 2.77Å; S264-Q271 VanDerWaalsContact O-NE2 3.13Å; Y269-Q271 WeakPolarHBondContact O-CG 3.47Å
272	G	86.5	Confident	87.9	Confident	20 Å²	20	50 Å²	50	21%	0.206	26%	0.26	C	S	.	.			trans	93.7	-178.4	-174.3	0	0	0	0	0	113.8	Y270	Y270-G272 WeakPolarHBondContact OH-CA 3.25Å
273	P	87.8	Confident	88.2	Confident	65 Å²	65	48.1 Å²	48.1	42%	0.422	25%	0.253	S	S	.	.			trans	-63.8	136.2	177.7	-18.4	30.6	0	0	0	112.1	D241 G275	D241-P273 HydrophobicContact CB-CB 3.85Å; D241-P273 HydrophobicContact CB-CG 4.03Å; P273-G275 VanDerWaalsContact C-N 3.35Å
274	V	85.8	Confident	88.1	Confident	43 Å²	43	48.4 Å²	48.4	26%	0.261	25%	0.249	S	C	.	.			trans	-92.4	9.8	179.6	-59.8	0	0	0	0	114.2	F243 A244 I265 Y280	F243-V274 HydrophobicContact CD1-CG2 3.54Å; F243-V274 HydrophobicContact CE1-CG2 3.56Å; A244-V274 HydrophobicContact CB-CB 4.47Å; A244-V274 HydrophobicContact CB-CG1 3.86Å; A244-V274 HydrophobicContact CB-CG2 4.06Å; I265-V274 HydrophobicContact CD1-CG1 3.98Å; V274-Y280 HydrophobicContact CB-CD2 3.7Å; V274-Y280 HydrophobicContact CB-CE2 3.54Å; V274-Y280 HydrophobicContact CG1-CE2 4.1Å; V274-Y280 HydrophobicContact CG2-CD2 3.69Å; V274-Y280 HydrophobicContact CG2-CE2 3.77Å; V274-Y280 HydrophobicContact CG2-CG 4.15Å; V274-Y280 WeakPolarHBondContact O-CD2 3.35Å
275	G	84	Confident	87.5	Confident	39 Å²	39	53.3 Å²	53.3	40%	0.402	27%	0.271	S	S	.	.			trans	93.1	-143	175.8	0	0	0	0	0	114.2	P273	P273-G275 VanDerWaalsContact C-N 3.35Å
276	D	82.5	Confident	87.2	Confident	30 Å²	30	52.3 Å²	52.3	16%	0.16	27%	0.266	C	S	.	.			trans	-87.4	120.7	-171.9	-178.7	15.4	0	0	0	112	R233 L278 K279 Y280	R233-D276 IonicContact CZ-OD1 2.67Å; R233-D276 IonicContact NE-OD1 3.11Å; R233-D276 IonicContact NH2-OD1 3.35Å; R233-D276 PolarHBondContact NH2-OD1 3.25Å; R233-D276 IonicContact NH2-OD2 2.73Å; D276-L278 PolarHBondContact O-N 3.43Å; D276-L278 PolarHBondContact OD1-N 2.68Å; D276-K279 HydrophobicContact CB-CB 4.32Å; D276-K279 HydrophobicContact CB-CG 4.36Å; D276-K279 CarbonylContact O-C 3.53Å; D276-K279 PolarHBondContact O-N 2.81Å; D276-K279 IonicContact OD2-NZ 3.59Å; D276-K279 PolarHBondContact OD2-NZ 2.98Å; D276-Y280 PolarHBondContact O-N 2.64Å
277	P	88.1	Confident	86.8	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.045	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.5	-179.7	-25.8	34.3	0	0	0	115.1	L159 Y162 F232 F243 K279 L318	L159-P277 HydrophobicContact CD2-CG 4.22Å; Y162-P277 HydrophobicContact CG-CB 4.15Å; F232-P277 VanDerWaalsContact CE2-CD 3.48Å; F232-P277 HydrophobicContact CE2-CG 3.38Å; F232-P277 HydrophobicContact CZ-CG 3.7Å; F243-P277 HydrophobicContact CB-CG 4.38Å; F243-P277 HydrophobicContact CD1-CB 4.31Å; F243-P277 HydrophobicContact CD1-CG 3.83Å; F243-P277 HydrophobicContact CD2-CB 3.95Å; F243-P277 HydrophobicContact CD2-CG 3.89Å; F243-P277 HydrophobicContact CE1-CB 4.02Å; F243-P277 HydrophobicContact CE1-CG 4.01Å; F243-P277 HydrophobicContact CE2-CB 3.64Å; F243-P277 HydrophobicContact CE2-CG 4.07Å; F243-P277 HydrophobicContact CG-CB 4.28Å; F243-P277 HydrophobicContact CG-CG 3.77Å; F243-P277 HydrophobicContact CZ-CB 3.67Å; F243-P277 HydrophobicContact CZ-CG 4.12Å; P277-K279 VanDerWaalsContact C-N 3.29Å; P277-L318 HydrophobicContact CB-CD1 4.25Å; P277-L318 HydrophobicContact CG-CD1 4.39Å
278	L	80.6	Confident	86.3	Confident	97 Å²	97	53.8 Å²	53.8	51%	0.508	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.3	175.8	-59.9	176.9	0	0	0	113.3	Y162 D276 L318	Y162-L278 HydrophobicContact CD1-CD2 4.2Å; Y162-L278 HydrophobicContact CE1-CD2 3.43Å; Y162-L278 VanDerWaalsContact CE1-CD2 3.43Å; Y162-L278 HydrophobicContact CE2-CD2 4.44Å; D276-L278 PolarHBondContact O-N 3.43Å; D276-L278 PolarHBondContact OD1-N 2.68Å; L278-L318 HydrophobicContact CD2-CD1 4.21Å; L278-L318 HydrophobicContact CG-CD1 4.14Å
279	K	84.3	Confident	86	Confident	163 Å²	163	55.7 Å²	55.7	71%	0.709	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-10.6	-174.4	-54.9	-174.5	-174.6	89.4	0	113.6	D276 P277	D276-K279 HydrophobicContact CB-CB 4.32Å; D276-K279 HydrophobicContact CB-CG 4.36Å; D276-K279 CarbonylContact O-C 3.53Å; D276-K279 PolarHBondContact O-N 2.81Å; D276-K279 IonicContact OD2-NZ 3.59Å; D276-K279 PolarHBondContact OD2-NZ 2.98Å; P277-K279 VanDerWaalsContact C-N 3.29Å
280	Y	88.4	Confident	85.8	Confident	42 Å²	42	55.6 Å²	55.6	17%	0.165	28%	0.283	C	S	.	.			trans	-62.3	134	178.8	178.2	-105	0	0	0	110.9	V166 F243 V247 V274 D276 L282	V166-Y280 HydrophobicContact CG1-CD1 4.04Å; V166-Y280 HydrophobicContact CG1-CE1 3.95Å; V166-Y280 HydrophobicContact CG2-CD1 3.88Å; F243-Y280 HydrophobicContact CE1-CD1 4.01Å; F243-Y280 AromaticContact CE1-CG 3.86Å; F243-Y280 HydrophobicContact CE1-CG 3.86Å; F243-Y280 AromaticContact CZ-CD1 3.93Å; F243-Y280 HydrophobicContact CZ-CD1 3.93Å; F243-Y280 HydrophobicContact CZ-CG 4.14Å; V247-Y280 HydrophobicContact CG1-CE1 4.12Å; V247-Y280 HydrophobicContact CG2-CE1 4.49Å; V274-Y280 HydrophobicContact CB-CD2 3.7Å; V274-Y280 HydrophobicContact CB-CE2 3.54Å; V274-Y280 HydrophobicContact CG1-CE2 4.1Å; V274-Y280 HydrophobicContact CG2-CD2 3.69Å; V274-Y280 HydrophobicContact CG2-CE2 3.77Å; V274-Y280 HydrophobicContact CG2-CG 4.15Å; V274-Y280 WeakPolarHBondContact O-CD2 3.35Å; D276-Y280 PolarHBondContact O-N 2.64Å; Y280-L282 HydrophobicContact CE1-CD2 4.06Å; Y280-L282 HydrophobicContact CE1-CG 4.26Å
281	D	84	Confident	85.7	Confident	107 Å²	107	56.6 Å²	56.6	57%	0.572	29%	0.286	S	S	*	.			trans	-128.5	137.1	179.7	-178.5	34.2	0	0	0	109.4	K287	D281-K287 WeakPolarHBondContact OD1-CE 3.39Å; D281-K287 IonicContact OD1-NZ 2.84Å; D281-K287 PolarHBondContact OD1-NZ 2.9Å; D281-K287 IonicContact OD2-NZ 2.59Å; D281-K287 PolarHBondContact OD2-NZ 3.3Å
282	L	89.6	Confident	85.7	Confident	5 Å²	5	59 Å²	59	3%	0.026	30%	0.297	C	S	.	.			trans	-69.8	142.1	-173.5	-86.5	166.3	0	0	0	112.1	V166 W167 I170 V247 I265 Y280 D286 K287	V166-L282 HydrophobicContact CG1-CD1 3.57Å; V166-L282 HydrophobicContact CG1-CD2 4.07Å; V166-L282 HydrophobicContact CG1-CG 3.53Å; W167-L282 HydrophobicContact CD2-CD1 4.04Å; W167-L282 HydrophobicContact CE3-CD1 3.47Å; W167-L282 VanDerWaalsContact CE3-CD1 3.47Å; W167-L282 HydrophobicContact CH2-CD1 4.01Å; W167-L282 HydrophobicContact CH2-CD2 3.78Å; W167-L282 HydrophobicContact CZ2-CD2 4.12Å; W167-L282 HydrophobicContact CZ3-CD1 3.45Å; W167-L282 VanDerWaalsContact CZ3-CD1 3.45Å; W167-L282 HydrophobicContact CZ3-CD2 4.09Å; W167-L282 HydrophobicContact CZ3-CG 4.43Å; I170-L282 HydrophobicContact CD1-CB 4.46Å; I170-L282 HydrophobicContact CD1-CD1 3.44Å; I170-L282 VanDerWaalsContact CD1-CD1 3.44Å; I170-L282 HydrophobicContact CG1-CD1 4.34Å; V247-L282 HydrophobicContact CG1-CD2 4.11Å; I265-L282 HydrophobicContact CB-CD2 4.47Å; I265-L282 HydrophobicContact CG2-CD2 3.64Å; Y280-L282 HydrophobicContact CE1-CD2 4.06Å; Y280-L282 HydrophobicContact CE1-CG 4.26Å; L282-D286 HydrophobicContact CD2-CB 4.26Å; L282-K287 HydrophobicContact CB-CD 4.48Å; L282-K287 HydrophobicContact CB-CG 3.95Å; L282-K287 WeakPolarHBondContact O-CD 3.41Å; L282-K287 WeakPolarHBondContact O-CE 3.31Å; L282-K287 PolarHBondContact O-NZ 3.03Å
283	P	87.4	Confident	85.7	Confident	29 Å²	29	60.1 Å²	60.1	19%	0.188	30%	0.298	C	S	.	.			trans	-53	146	168.8	-25.7	34.9	0	0	0	112.1	E263 E285 D286 K287	E263-P283 WeakPolarHBondContact O-CB 3.38Å; E263-P283 WeakPolarHBondContact O-CG 3.46Å; P283-E285 VanDerWaalsContact C-N 3.29Å; P283-E285 PolarHBondContact O-N 3.13Å; P283-D286 PolarHBondContact O-N 3.03Å; P283-K287 PolarHBondContact O-N 3.12Å; P283-K287 VanDerWaalsContact O-N 3.1Å
284	Y	79.1	Confident	85.8	Confident	164 Å²	164	57.3 Å²	57.3	64%	0.643	28%	0.279	S	S	*	.	H	α-helix	trans	-59.2	-37.8	-174.3	178.9	-99.5	0	0	0	113.2	D286 K287 V288	Y284-D286 VanDerWaalsContact C-N 3.33Å; Y284-D286 PolarHBondContact O-N 3.48Å; Y284-K287 WeakPolarHBondContact O-CB 3.38Å; Y284-K287 PolarHBondContact O-N 3.44Å; Y284-V288 HydrophobicContact CD1-CG2 4.15Å; Y284-V288 HydrophobicContact CE1-CG2 3.64Å; Y284-V288 HydrophobicContact CE2-CG2 4.03Å; Y284-V288 WeakPolarHBondContact O-CG2 3.35Å; Y284-V288 PolarHBondContact O-N 3.14Å
285	E	79.4	Confident	85.9	Confident	105 Å²	105	56.8 Å²	56.8	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-42.4	175	-69.8	-62.6	152.5	0	0	112	P283 V288 R289	P283-E285 VanDerWaalsContact C-N 3.29Å; P283-E285 PolarHBondContact O-N 3.13Å; E285-V288 PolarHBondContact O-N 3.4Å; E285-R289 WeakPolarHBondContact O-CB 3.34Å; E285-R289 WeakPolarHBondContact O-CD 3.42Å; E285-R289 WeakPolarHBondContact O-CG 3.1Å; E285-R289 PolarHBondContact O-N 3.14Å
286	D	90	Very high	86.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-72.5	-37	-178.1	-65.7	-50.6	0	0	0	112.2	W167 S264 I265 M266 L282 P283 Y284 R289 V290	W167-D286 HydrophobicContact CH2-CB 4.12Å; W167-D286 HydrophobicContact CZ3-CB 4.37Å; S264-D286 WeakPolarHBondContact CA-OD2 3.47Å; S264-D286 WeakPolarHBondContact CB-OD2 3.5Å; S264-D286 PolarHBondContact OG-OD1 3Å; S264-D286 PolarHBondContact OG-OD2 2.93Å; I265-D286 HydrophobicContact CG2-CB 4.4Å; I265-D286 PolarHBondContact N-OD2 3.06Å; M266-D286 VanDerWaalsContact CG-OD1 3.29Å; M266-D286 WeakPolarHBondContact CG-OD1 3.37Å; L282-D286 HydrophobicContact CD2-CB 4.26Å; P283-D286 PolarHBondContact O-N 3.03Å; Y284-D286 VanDerWaalsContact C-N 3.33Å; Y284-D286 PolarHBondContact O-N 3.48Å; D286-R289 PolarHBondContact O-N 3.26Å; D286-R289 IonicContact OD1-NH1 3.19Å; D286-V290 PolarHBondContact O-N 2.83Å
287	K	86.4	Confident	86.2	Confident	31 Å²	31	59.5 Å²	59.5	14%	0.135	29%	0.285	C	S	.	.	H	α-helix	trans	-55.1	-52.4	167.7	-75.7	164.9	172.1	152.9	0	111.5	I170 D281 L282 P283 Y284 R289 V290 W291	I170-K287 HydrophobicContact CD1-CB 4.26Å; I170-K287 HydrophobicContact CD1-CG 3.64Å; D281-K287 WeakPolarHBondContact OD1-CE 3.39Å; D281-K287 IonicContact OD1-NZ 2.84Å; D281-K287 PolarHBondContact OD1-NZ 2.9Å; D281-K287 IonicContact OD2-NZ 2.59Å; D281-K287 PolarHBondContact OD2-NZ 3.3Å; L282-K287 HydrophobicContact CB-CD 4.48Å; L282-K287 HydrophobicContact CB-CG 3.95Å; L282-K287 WeakPolarHBondContact O-CD 3.41Å; L282-K287 WeakPolarHBondContact O-CE 3.31Å; L282-K287 PolarHBondContact O-NZ 3.03Å; P283-K287 PolarHBondContact O-N 3.12Å; P283-K287 VanDerWaalsContact O-N 3.1Å; Y284-K287 WeakPolarHBondContact O-CB 3.38Å; Y284-K287 PolarHBondContact O-N 3.44Å; K287-R289 VanDerWaalsContact C-N 3.31Å; K287-R289 PolarHBondContact O-N 3.14Å; K287-V290 WeakPolarHBondContact O-CG1 3.32Å; K287-V290 PolarHBondContact O-N 3.2Å; K287-W291 HydrophobicContact CB-CD2 4.44Å; K287-W291 HydrophobicContact CB-CE3 4.31Å; K287-W291 HydrophobicContact CB-CH2 3.91Å; K287-W291 HydrophobicContact CB-CZ2 4.04Å; K287-W291 HydrophobicContact CB-CZ3 4.05Å; K287-W291 HydrophobicContact CD-CH2 4.46Å; K287-W291 HydrophobicContact CG-CH2 4.47Å; K287-W291 HydrophobicContact CG-CZ2 4.38Å; K287-W291 WeakPolarHBondContact O-CB 3.39Å; K287-W291 PolarHBondContact O-N 3.2Å
288	V	82.8	Confident	85.6	Confident	31 Å²	31	64.7 Å²	64.7	19%	0.188	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-40.9	179.6	169.6	0	0	0	0	111.4	Y284 E285 W291 Q292	Y284-V288 HydrophobicContact CD1-CG2 4.15Å; Y284-V288 HydrophobicContact CE1-CG2 3.64Å; Y284-V288 HydrophobicContact CE2-CG2 4.03Å; Y284-V288 WeakPolarHBondContact O-CG2 3.35Å; Y284-V288 PolarHBondContact O-N 3.14Å; E285-V288 PolarHBondContact O-N 3.4Å; V288-W291 HydrophobicContact CG2-CE3 4.38Å; V288-W291 HydrophobicContact CG2-CZ3 4.44Å; V288-Q292 VanDerWaalsContact O-CG 3.29Å; V288-Q292 WeakPolarHBondContact O-CG 3.34Å; V288-Q292 PolarHBondContact O-N 2.83Å
289	R	87.6	Confident	84.9	Confident	43 Å²	43	64.6 Å²	64.6	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-69.7	-41.7	-179.3	-66.3	166.2	84.3	-137.6	2.3	112.6	L256 V257 H258 E285 D286 K287 Q292 L293	L256-R289 HydrophobicContact CD2-CB 3.74Å; V257-R289 PolarHBondContact O-NH1 2.9Å; V257-R289 PolarHBondContact O-NH2 3.37Å; H258-R289 PolarHBondContact O-NH2 2.81Å; E285-R289 WeakPolarHBondContact O-CB 3.34Å; E285-R289 WeakPolarHBondContact O-CD 3.42Å; E285-R289 WeakPolarHBondContact O-CG 3.1Å; E285-R289 PolarHBondContact O-N 3.14Å; D286-R289 PolarHBondContact O-N 3.26Å; D286-R289 IonicContact OD1-NH1 3.19Å; K287-R289 VanDerWaalsContact C-N 3.31Å; K287-R289 PolarHBondContact O-N 3.14Å; R289-Q292 PolarHBondContact O-N 2.78Å; R289-L293 PolarHBondContact O-N 3.29Å
290	V	89.9	Confident	83.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-35.1	176.1	75.4	0	0	0	0	111.9	W167 I170 A171 I254 L256 D286 K287 Q292 L293 Y294	W167-V290 HydrophobicContact CE3-CB 4.15Å; W167-V290 HydrophobicContact CE3-CG1 4.21Å; W167-V290 HydrophobicContact CE3-CG2 4.13Å; W167-V290 HydrophobicContact CZ3-CB 4.11Å; W167-V290 HydrophobicContact CZ3-CG1 4.25Å; I170-V290 HydrophobicContact CD1-CG1 3.54Å; I170-V290 HydrophobicContact CG1-CG1 4.09Å; A171-V290 HydrophobicContact CB-CG1 4.39Å; A171-V290 HydrophobicContact CB-CG2 3.97Å; I254-V290 HydrophobicContact CD1-CG2 3.68Å; L256-V290 HydrophobicContact CD1-CB 4.41Å; L256-V290 HydrophobicContact CD2-CB 4.4Å; D286-V290 PolarHBondContact O-N 2.83Å; K287-V290 WeakPolarHBondContact O-CG1 3.32Å; K287-V290 PolarHBondContact O-N 3.2Å; V290-Q292 VanDerWaalsContact C-N 3.31Å; V290-Q292 PolarHBondContact O-N 3.43Å; V290-L293 PolarHBondContact O-N 3.27Å; V290-L293 VanDerWaalsContact O-N 3.15Å; V290-Y294 HydrophobicContact CG2-CD2 3.82Å; V290-Y294 HydrophobicContact CG2-CE2 4.46Å; V290-Y294 PolarHBondContact O-N 2.83Å
291	W	88.8	Confident	82.1	Confident	69 Å²	69	59.2 Å²	59.2	26%	0.261	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-32.4	172.4	-65	-26.3	0	0	0	113	I170 K287 V288 L293 G295 V296	I170-W291 PolarHBondContact O-NE1 3.49Å; K287-W291 HydrophobicContact CB-CD2 4.44Å; K287-W291 HydrophobicContact CB-CE3 4.31Å; K287-W291 HydrophobicContact CB-CH2 3.91Å; K287-W291 HydrophobicContact CB-CZ2 4.04Å; K287-W291 HydrophobicContact CB-CZ3 4.05Å; K287-W291 HydrophobicContact CD-CH2 4.46Å; K287-W291 HydrophobicContact CG-CH2 4.47Å; K287-W291 HydrophobicContact CG-CZ2 4.38Å; K287-W291 WeakPolarHBondContact O-CB 3.39Å; K287-W291 PolarHBondContact O-N 3.2Å; V288-W291 HydrophobicContact CG2-CE3 4.38Å; V288-W291 HydrophobicContact CG2-CZ3 4.44Å; W291-L293 VanDerWaalsContact C-N 3.31Å; W291-L293 PolarHBondContact O-N 3.06Å; W291-G295 VanDerWaalsContact O-CA 3.29Å; W291-G295 WeakPolarHBondContact O-CA 3.37Å; W291-G295 PolarHBondContact O-N 3.43Å; W291-V296 HydrophobicContact CB-CG2 4.34Å; W291-V296 HydrophobicContact CD2-CG2 3.94Å; W291-V296 HydrophobicContact CG-CG2 3.81Å
292	Q	86.6	Confident	80.2	Confident	148 Å²	148	63.7 Å²	63.7	69%	0.692	32%	0.324	S	S	*	.	H	α-helix	trans	-67.5	-28.4	173.1	-74.3	170.8	19.3	0	0	113.3	V288 R289 V290	V288-Q292 VanDerWaalsContact O-CG 3.29Å; V288-Q292 WeakPolarHBondContact O-CG 3.34Å; V288-Q292 PolarHBondContact O-N 2.83Å; R289-Q292 PolarHBondContact O-N 2.78Å; V290-Q292 VanDerWaalsContact C-N 3.31Å; V290-Q292 PolarHBondContact O-N 3.43Å
293	L	86.2	Confident	78	Confident	44 Å²	44	69.4 Å²	69.4	23%	0.23	36%	0.359	C	S	.	.	H	α-helix	trans	-82.6	-42.5	175	-66.4	179.9	0	0	0	112.7	L256 R289 V290 W291	L256-L293 HydrophobicContact CD2-CD1 3.78Å; L256-L293 HydrophobicContact CG-CD1 4.38Å; R289-L293 PolarHBondContact O-N 3.29Å; V290-L293 PolarHBondContact O-N 3.27Å; V290-L293 VanDerWaalsContact O-N 3.15Å; W291-L293 VanDerWaalsContact C-N 3.31Å; W291-L293 PolarHBondContact O-N 3.06Å
294	Y	89.6	Confident	75.8	Confident	6 Å²	6	73.1 Å²	73.1	2%	0.024	38%	0.377	C	S	.	.	H	α-helix	trans	-123	-13.4	-163.2	-68.4	-67.4	0	0	0	116	K131 W132 R135 P172 L173 I254 V290	K131-Y294 WeakPolarHBondContact CA-OH 3.37Å; K131-Y294 HydrophobicContact CB-CE1 4.15Å; W132-Y294 HydrophobicContact CB-CE1 4.34Å; W132-Y294 PolarHBondContact N-OH 3.23Å; R135-Y294 VanDerWaalsContact CZ-O 3.32Å; R135-Y294 PolarHBondContact NH1-O 2.7Å; R135-Y294 PolarHBondContact NH2-O 3.35Å; P172-Y294 WeakPolarHBondContact CG-O 3.35Å; L173-Y294 HydrophobicContact CD1-CD2 4.05Å; L173-Y294 HydrophobicContact CD1-CE1 4.48Å; L173-Y294 HydrophobicContact CD1-CE2 4Å; L173-Y294 HydrophobicContact CD1-CG 4.31Å; L173-Y294 HydrophobicContact CD2-CD1 3.85Å; L173-Y294 HydrophobicContact CD2-CE1 3.83Å; L173-Y294 HydrophobicContact CD2-CG 4.34Å; L173-Y294 HydrophobicContact CG-CD1 4.33Å; L173-Y294 HydrophobicContact CG-CG 4.31Å; I254-Y294 HydrophobicContact CB-CE2 4.04Å; I254-Y294 HydrophobicContact CG1-CE2 4.35Å; I254-Y294 WeakPolarHBondContact O-CE2 3.49Å; I254-Y294 VanDerWaalsContact O-CZ 3.29Å; I254-Y294 PolarHBondContact O-OH 2.98Å; V290-Y294 HydrophobicContact CG2-CD2 3.82Å; V290-Y294 HydrophobicContact CG2-CE2 4.46Å; V290-Y294 PolarHBondContact O-N 2.83Å
295	G	88.1	Confident	74	Confident	33 Å²	33	74.1 Å²	74.1	34%	0.34	39%	0.388	S	S	.	.			trans	82	176.4	-167.4	0	0	0	0	0	113.2	P172 W291	P172-G295 WeakPolarHBondContact CD-O 3.37Å; W291-G295 VanDerWaalsContact O-CA 3.29Å; W291-G295 WeakPolarHBondContact O-CA 3.37Å; W291-G295 PolarHBondContact O-N 3.43Å
296	V	88.1	Confident	72.4	Confident	61 Å²	61	75.5 Å²	75.5	37%	0.37	41%	0.406	S	S	.	.			trans	-87.4	145.6	175.2	-171.2	0	0	0	0	109.8	W291 V300	W291-V296 HydrophobicContact CB-CG2 4.34Å; W291-V296 HydrophobicContact CD2-CG2 3.94Å; W291-V296 HydrophobicContact CG-CG2 3.81Å; V296-V300 HydrophobicContact CG1-CB 4.03Å; V296-V300 HydrophobicContact CG1-CG1 4.22Å
297	R	84.7	Confident	69.9	Low	65 Å²	65	78.8 Å²	78.8	25%	0.245	44%	0.439	C	S	.	.			trans	-73.7	136.4	173.2	-167.9	179.1	-172.7	104.4	6.5	110.8	S168 D169 I170 L173 N174 S299 V300 S301	S168-R297 VanDerWaalsContact O-CD 3.24Å; S168-R297 WeakPolarHBondContact O-CD 3.31Å; S168-R297 PolarHBondContact O-NH1 2.92Å; D169-R297 WeakPolarHBondContact O-CD 3.25Å; I170-R297 PolarHBondContact O-N 2.8Å; I170-R297 VanDerWaalsContact O-N 3.07Å; L173-R297 PolarHBondContact O-NH1 2.76Å; N174-R297 PolarHBondContact OD1-NH1 3.33Å; N174-R297 PolarHBondContact OD1-NH2 2.85Å; R297-S299 WeakPolarHBondContact CD-OG 3.44Å; R297-S299 WeakPolarHBondContact CG-OG 3.43Å; R297-S299 PolarHBondContact O-N 2.93Å; R297-S299 VanDerWaalsContact O-N 3.08Å; R297-V300 HydrophobicContact CB-CG2 4.35Å; R297-V300 WeakPolarHBondContact O-CB 3.29Å; R297-V300 PolarHBondContact O-N 3.48Å; R297-S301 PolarHBondContact O-N 2.9Å
298	D	75.8	Confident	67.5	Low	115 Å²	115	82.7 Å²	82.7	62%	0.615	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.8	-175.3	-66.5	-60.4	0	0	0	114.8	V300 S301	D298-V300 PolarHBondContact O-N 2.85Å; D298-S301 WeakPolarHBondContact O-CB 3.47Å; D298-S301 PolarHBondContact O-N 2.77Å
299	S	66.5	Low	65.5	Low	95 Å²	95	87.4 Å²	87.4	66%	0.664	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.9	175.3	52.5	0	0	0	0	114.5	R297	R297-S299 WeakPolarHBondContact CD-OG 3.44Å; R297-S299 WeakPolarHBondContact CG-OG 3.43Å; R297-S299 PolarHBondContact O-N 2.93Å; R297-S299 VanDerWaalsContact O-N 3.08Å
300	V	61.2	Low	63.2	Low	57 Å²	57	90.6 Å²	90.6	35%	0.345	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-13.4	175.2	-174.2	0	0	0	0	110.9	D169 V296 R297 D298 H302	D169-V300 VanDerWaalsContact O-CG2 3.25Å; D169-V300 WeakPolarHBondContact O-CG2 3.29Å; V296-V300 HydrophobicContact CG1-CB 4.03Å; V296-V300 HydrophobicContact CG1-CG1 4.22Å; R297-V300 HydrophobicContact CB-CG2 4.35Å; R297-V300 WeakPolarHBondContact O-CB 3.29Å; R297-V300 PolarHBondContact O-N 3.48Å; D298-V300 PolarHBondContact O-N 2.85Å; V300-H302 PolarHBondContact O-N 2.81Å
301	S	51.5	Low	60.7	Low	35 Å²	35	99.7 Å²	99.7	25%	0.245	57%	0.573	C	S	.	*			trans	-73.1	109.8	175.8	-62	0	0	0	0	111.3	R297 D298 T303 N304	R297-S301 PolarHBondContact O-N 2.9Å; D298-S301 WeakPolarHBondContact O-CB 3.47Å; D298-S301 PolarHBondContact O-N 2.77Å; S301-T303 PolarHBondContact O-N 3.47Å; S301-N304 PolarHBondContact O-N 3.42Å
302	H	45.1	Very low	58.4	Low	202 Å²	202	101.9 Å²	101.9	94%	0.935	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	5.4	179.3	-69.2	-67.4	0	0	0	116.5	V300	V300-H302 PolarHBondContact O-N 2.81Å
303	T	43.7	Very low	56.4	Low	124 Å²	124	99.8 Å²	99.8	76%	0.761	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-9.3	-173.8	48.8	0	0	0	0	114.9	S301	S301-T303 PolarHBondContact O-N 3.47Å
304	N	41.2	Very low	54.2	Low	107 Å²	107	106.2 Å²	106.2	57%	0.572	62%	0.623	S	S	*	*	S	Bend	trans	-116.8	137.8	-176.6	-71.3	-32	0	0	0	112.5	S301	S301-N304 PolarHBondContact O-N 3.42Å
305	Q	41.6	Very low	52.3	Low	186 Å²	186	108.8 Å²	108.8	87%	0.869	64%	0.64	S	S	*	*			trans	-73.9	155.4	171.6	-80	-169.8	-20.1	0	0	111.7	G307	Q305-G307 PolarHBondContact O-N 3.02Å
306	P	46.1	Very low	50.7	Low	133 Å²	133	109.8 Å²	109.8	86%	0.864	64%	0.641	S	S	*	*			trans	-67.2	106.3	-175.5	26.5	-35.1	0	0	0	112.4
307	G	36.2	Very low	48.8	Very low	69 Å²	69	112.2 Å²	112.2	71%	0.711	66%	0.655	S	S	*	*			trans	-75.1	156.6	164.8	0	0	0	0	0	112.1	Q305	Q305-G307 PolarHBondContact O-N 3.02Å
308	S	36	Very low	47	Very low	114 Å²	114	109.7 Å²	109.7	80%	0.797	65%	0.647	S	S	*	*			trans	-42.2	148.7	-173.1	-69.1	0	0	0	0	116.3	S310	S308-S310 PolarHBondContact O-N 3.4Å; S308-S310 VanDerWaalsContact O-N 3.12Å
309	P	41.1	Very low	45.5	Very low	129 Å²	129	110 Å²	110	84%	0.838	65%	0.648	S	S	*	*			trans	-60.4	117.5	175.5	26.8	-34.8	0	0	0	110.7
310	S	38.3	Very low	44.2	Very low	110 Å²	110	111 Å²	111	77%	0.769	65%	0.645	S	S	*	*			trans	-70.9	151.5	165.9	-165.3	0	0	0	0	109.5	S308 T312	S308-S310 PolarHBondContact O-N 3.4Å; S308-S310 VanDerWaalsContact O-N 3.12Å; S310-T312 VanDerWaalsContact C-N 3.35Å; S310-T312 PolarHBondContact O-N 2.94Å
311	Q	39.4	Very low	43.3	Very low	191 Å²	191	113.6 Å²	113.6	89%	0.893	66%	0.657	S	S	*	*			trans	-74	85.9	-177.5	-66.6	176.7	4.1	0	0	110.8
312	T	39.8	Very low	42.5	Very low	116 Å²	116	115.5 Å²	115.5	71%	0.712	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-66.2	136.9	163.9	-4.5	0	0	0	0	109.3	S310	S310-T312 VanDerWaalsContact C-N 3.35Å; S310-T312 PolarHBondContact O-N 2.94Å
313	P	44.7	Very low	42.3	Very low	104 Å²	104	115.7 Å²	115.7	68%	0.675	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-53.6	141.7	156.9	-21.5	33.4	0	0	0	109.3
314	E	39.9	Very low	42.1	Very low	179 Å²	179	117 Å²	117	84%	0.836	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-58	125	174.4	-169.3	168.3	-169.4	0	0	108.6
315	P	49.6	Very low	41.9	Very low	60 Å²	60	121.6 Å²	121.6	39%	0.39	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-63.5	138.3	-173.2	25.4	-33.9	0	0	0	109.8	Y161 V317	Y161-P315 HydrophobicContact CE1-CB 4.01Å; P315-V317 PolarHBondContact O-N 3.09Å
316	P	54.3	Low	41.7	Very low	54 Å²	54	116.5 Å²	116.5	35%	0.351	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-58.6	118	176.7	24.9	-33.4	0	0	0	108.7	Y161 L318	Y161-P316 HydrophobicContact CD1-CG 3.6Å; Y161-P316 HydrophobicContact CD2-CG 4.09Å; Y161-P316 HydrophobicContact CE1-CG 4.2Å; Y161-P316 HydrophobicContact CG-CG 3.55Å; P316-L318 PolarHBondContact O-N 3.01Å
317	V	49.2	Very low	41.2	Very low	111 Å²	111	116.3 Å²	116.3	67%	0.673	66%	0.663	S	S	*	*			trans	-59.2	112.2	-178.6	177.8	0	0	0	0	108.4	P315 L319	P315-V317 PolarHBondContact O-N 3.09Å; V317-L319 PolarHBondContact O-N 3.42Å
318	L	46.1	Very low	41.2	Very low	12 Å²	12	118.8 Å²	118.8	6%	0.063	66%	0.659	C	S	.	*			trans	-56.8	108	158.9	-91.1	169.4	0	0	0	106.3	A158 L159 Y162 F232 P277 L278 P316 D320	A158-L318 HydrophobicContact CB-CD2 3.8Å; A158-L318 HydrophobicContact CB-CG 4.14Å; L159-L318 HydrophobicContact CD2-CD2 4.2Å; Y162-L318 HydrophobicContact CD2-CD1 3.64Å; Y162-L318 HydrophobicContact CD2-CG 3.83Å; Y162-L318 HydrophobicContact CE2-CB 4.46Å; Y162-L318 HydrophobicContact CE2-CD1 3.62Å; Y162-L318 HydrophobicContact CE2-CG 3.62Å; Y162-L318 HydrophobicContact CG-CD1 4.34Å; F232-L318 HydrophobicContact CE1-CD2 3.91Å; F232-L318 HydrophobicContact CZ-CD2 4.09Å; P277-L318 HydrophobicContact CB-CD1 4.25Å; P277-L318 HydrophobicContact CG-CD1 4.39Å; L278-L318 HydrophobicContact CD2-CD1 4.21Å; L278-L318 HydrophobicContact CG-CD1 4.14Å; P316-L318 PolarHBondContact O-N 3.01Å; L318-D320 PolarHBondContact O-N 2.64Å
319	L	44.9	Very low	41.2	Very low	122 Å²	122	119.2 Å²	119.2	64%	0.639	65%	0.652	S	S	*	*			trans	-59.6	111.7	170.9	-68.6	174.7	0	0	0	107	V317 L321	V317-L319 PolarHBondContact O-N 3.42Å; L319-L321 PolarHBondContact O-N 3.26Å
320	D	38.7	Very low	41	Very low	115 Å²	115	120.7 Å²	120.7	62%	0.615	65%	0.652	S	S	*	*			trans	-60.1	114.7	168.4	-76.9	-45.2	0	0	0	107.7	R233 L318 P322	R233-D320 IonicContact CZ-OD1 3.46Å; R233-D320 IonicContact NH1-OD1 2.71Å; R233-D320 PolarHBondContact NH1-OD1 2.71Å; L318-D320 PolarHBondContact O-N 2.64Å; D320-P322 WeakPolarHBondContact O-CD 3.17Å; D320-P322 VanDerWaalsContact O-N 3.07Å
321	L	41.3	Very low	41.2	Very low	113 Å²	113	119 Å²	119	59%	0.592	64%	0.644	S	S	*	*			trans	-51	116.5	167.5	-86.5	162.2	0	0	0	106.5	L319 E323	L319-L321 PolarHBondContact O-N 3.26Å; L321-E323 PolarHBondContact O-N 3.28Å
322	P	35.2	Very low	41.5	Very low	74 Å²	74	116.3 Å²	116.3	48%	0.481	63%	0.632	S	S	.	*			trans	-63.2	110.5	-169.2	20.6	-31.3	0	0	0	109.5	D320 N324 R325	D320-P322 WeakPolarHBondContact O-CD 3.17Å; D320-P322 VanDerWaalsContact O-N 3.07Å; P322-N324 PolarHBondContact O-N 3Å; P322-R325 HydrophobicContact CB-CB 4.48Å; P322-R325 HydrophobicContact CB-CG 4.27Å; P322-R325 HydrophobicContact CG-CB 4.03Å; P322-R325 HydrophobicContact CG-CG 3.93Å; P322-R325 PolarHBondContact O-N 3.42Å
323	E	41.8	Very low	42.4	Very low	206 Å²	206	115.6 Å²	115.6	96%	0.963	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-13.5	-176.1	-60.4	-175.9	137.2	0	0	113.4	L321	L321-E323 PolarHBondContact O-N 3.28Å
324	N	39.4	Very low	43.6	Very low	153 Å²	153	112.7 Å²	112.7	82%	0.818	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	51	175.8	-155.2	-8.2	0	0	0	113.1	P322	P322-N324 PolarHBondContact O-N 3Å
325	R	37.3	Very low	45.7	Very low	203 Å²	203	105.4 Å²	105.4	77%	0.766	58%	0.577	S	S	*	*	S	Bend	trans	-118	93.8	154.5	-84.1	-167.8	169.1	179.1	-2.6	110.6	P322 T327	P322-R325 HydrophobicContact CB-CB 4.48Å; P322-R325 HydrophobicContact CB-CG 4.27Å; P322-R325 HydrophobicContact CG-CB 4.03Å; P322-R325 HydrophobicContact CG-CG 3.93Å; P322-R325 PolarHBondContact O-N 3.42Å; R325-T327 PolarHBondContact O-N 2.84Å
326	S	37.5	Very low	47.4	Very low	79 Å²	79	105.9 Å²	105.9	55%	0.552	58%	0.576	S	S	*	*			trans	3.9	73.3	163.2	-51.8	0	0	0	0	117.3	L328 L329	S326-L328 PolarHBondContact O-N 2.92Å; S326-L329 PolarHBondContact O-N 2.92Å; S326-L329 VanDerWaalsContact O-N 3.12Å
327	T	35	Very low	48.9	Very low	129 Å²	129	105.2 Å²	105.2	79%	0.791	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-20.2	172.5	29.6	0	0	0	0	113.1	R325 L329	R325-T327 PolarHBondContact O-N 2.84Å; T327-L329 VanDerWaalsContact C-N 3.26Å; T327-L329 PolarHBondContact O-N 2.93Å
328	L	35.8	Very low	50.8	Low	121 Å²	121	102 Å²	102	63%	0.634	55%	0.549	S	S	*	.	H	α-helix	trans	-56.5	-31.9	172.8	-69.3	167.1	0	0	0	114	S326 L330 Q332	S326-L328 PolarHBondContact O-N 2.92Å; L328-L330 PolarHBondContact O-N 2.74Å; L328-Q332 VanDerWaalsContact O-CB 3.25Å; L328-Q332 WeakPolarHBondContact O-CB 3.31Å; L328-Q332 WeakPolarHBondContact O-CG 3.43Å; L328-Q332 PolarHBondContact O-N 3.16Å; L328-Q332 PolarHBondContact O-OE1 3.29Å
329	L	36.3	Very low	52.6	Low	123 Å²	123	105.5 Å²	105.5	64%	0.644	57%	0.57	S	S	*	*	H	α-helix	trans	-81.5	-8.5	-168.8	-70	176.5	0	0	0	115.9	S326 T327	S326-L329 PolarHBondContact O-N 2.92Å; S326-L329 VanDerWaalsContact O-N 3.12Å; T327-L329 VanDerWaalsContact C-N 3.26Å; T327-L329 PolarHBondContact O-N 2.93Å
330	L	37.7	Very low	54.5	Low	160 Å²	160	100.9 Å²	100.9	84%	0.838	55%	0.548	S	S	*	.	H	α-helix	trans	-114.1	-19.8	173.9	-75.5	171.4	0	0	0	113.3	L328	L328-L330 PolarHBondContact O-N 2.74Å
331	A	41.3	Very low	57	Low	73 Å²	73	98.1 Å²	98.1	60%	0.603	53%	0.533	S	S	*	.	H	α-helix	trans	-79.7	-23.6	168.6	0	0	0	0	0	112.9	D333 A334	A331-D333 PolarHBondContact O-N 3.46Å; A331-A334 PolarHBondContact O-N 3.07Å
332	Q	45.9	Very low	59.6	Low	135 Å²	135	93 Å²	93	63%	0.631	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.2	-178.4	-93.2	174.1	-18	0	0	115.6	L328	L328-Q332 VanDerWaalsContact O-CB 3.25Å; L328-Q332 WeakPolarHBondContact O-CB 3.31Å; L328-Q332 WeakPolarHBondContact O-CG 3.43Å; L328-Q332 PolarHBondContact O-N 3.16Å; L328-Q332 PolarHBondContact O-OE1 3.29Å
333	D	58.9	Low	62.4	Low	102 Å²	102	91.3 Å²	91.3	55%	0.545	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-10.2	-173.3	-126.1	44.8	0	0	0	113.4	A331 K358 Y359	A331-D333 PolarHBondContact O-N 3.46Å; D333-K358 IonicContact OD2-NZ 2.68Å; D333-K358 PolarHBondContact OD2-NZ 3.32Å; D333-Y359 WeakPolarHBondContact O-CE2 3.49Å
334	A	69	Low	65	Low	43 Å²	43	81.5 Å²	81.5	36%	0.355	45%	0.447	S	S	.	.	S	Bend	trans	-93.8	123.8	178.2	0	0	0	0	0	110.2	A331 P374	A331-A334 PolarHBondContact O-N 3.07Å; A334-P374 HydrophobicContact CB-CG 4.34Å
335	P	84.4	Confident	67.7	Low	26 Å²	26	74.3 Å²	74.3	17%	0.169	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.3	140	178.4	25.2	-30.9	0	0	0	111	S340 K356 Y359 W361	P335-S340 WeakPolarHBondContact CB-OG 3.48Å; P335-K356 HydrophobicContact CB-CB 4.28Å; P335-K356 HydrophobicContact CB-CG 3.66Å; P335-K356 HydrophobicContact CG-CB 3.94Å; P335-K356 HydrophobicContact CG-CG 3.77Å; P335-Y359 HydrophobicContact CG-CD2 3.95Å; P335-Y359 HydrophobicContact CG-CG 4.4Å; P335-W361 HydrophobicContact CB-CH2 3.99Å; P335-W361 HydrophobicContact CG-CH2 3.76Å; P335-W361 HydrophobicContact CG-CZ3 4.23Å; P335-W361 WeakPolarHBondContact O-CH2 3.35Å; P335-W361 WeakPolarHBondContact O-CZ2 3.07Å
336	D	85.4	Confident	70.5	Confident	69 Å²	69	64.7 Å²	64.7	37%	0.369	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-84	127.9	171.7	159.5	40.5	0	0	0	110.4	C338 T339 S340	D336-C338 PolarHBondContact O-N 3.12Å; D336-C338 PolarHBondContact OD1-N 2.89Å; D336-T339 PolarHBondContact O-N 2.88Å; D336-T339 VanDerWaalsContact OD2-CB 3.26Å; D336-T339 WeakPolarHBondContact OD2-CB 3.48Å; D336-T339 VanDerWaalsContact OD2-CG2 3.27Å; D336-T339 WeakPolarHBondContact OD2-CG2 2.95Å; D336-T339 PolarHBondContact OD2-N 3.06Å; D336-T339 PolarHBondContact OD2-OG1 3.46Å; D336-S340 PolarHBondContact N-OG 2.85Å; D336-S340 WeakPolarHBondContact O-CB 3.14Å; D336-S340 PolarHBondContact O-N 2.93Å; D336-S340 PolarHBondContact O-OG 3.43Å
337	R	86.6	Confident	73.2	Confident	41 Å²	41	62.4 Å²	62.4	16%	0.155	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	-179.5	81	-177	-174.6	-79.2	-12.7	114	W361 L372 L527	R337-W361 HydrophobicContact CB-CD2 4.12Å; R337-W361 HydrophobicContact CB-CH2 4.15Å; R337-W361 HydrophobicContact CB-CZ2 3.55Å; R337-L372 PolarHBondContact NH1-O 3.25Å; R337-L527 HydrophobicContact CB-CB 4.46Å; R337-L527 HydrophobicContact CB-CD1 4.19Å; R337-L527 HydrophobicContact CG-CB 4.22Å; R337-L527 PolarHBondContact NE-O 3.24Å; R337-L527 VanDerWaalsContact O-CD1 3.29Å; R337-L527 WeakPolarHBondContact O-CD1 3.35Å
338	C	87.4	Confident	75.8	Confident	44 Å²	44	56.5 Å²	56.5	30%	0.297	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-26	-175.9	-61.8	0	0	0	0	112.8	D336 A523 C529	D336-C338 PolarHBondContact O-N 3.12Å; D336-C338 PolarHBondContact OD1-N 2.89Å; C338-A523 WeakPolarHBondContact O-CB 3.37Å; C338-C529 WeakPolarHBondContact CA-SG 3.3Å; C338-C529 HydrophobicContact CB-CB 3.82Å; C338-C529 WeakPolarHBondContact CB-SG 3.31Å; C338-C529 WeakPolarHBondContact SG-CB 3.49Å; C338-C529 CovalentContact SG-SG 2.04Å; C338-C529 PolarHBondContact SG-SG 2.94Å
339	T	84.3	Confident	78.3	Confident	85 Å²	85	55.8 Å²	55.8	52%	0.521	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-16.5	-179.4	58.5	0	0	0	0	115.2	D336 K502	D336-T339 PolarHBondContact O-N 2.88Å; D336-T339 VanDerWaalsContact OD2-CB 3.26Å; D336-T339 WeakPolarHBondContact OD2-CB 3.48Å; D336-T339 VanDerWaalsContact OD2-CG2 3.27Å; D336-T339 WeakPolarHBondContact OD2-CG2 2.95Å; D336-T339 PolarHBondContact OD2-N 3.06Å; D336-T339 PolarHBondContact OD2-OG1 3.46Å; T339-K502 WeakPolarHBondContact O-CE 3.43Å; T339-K502 PolarHBondContact O-NZ 2.87Å
340	S	85.8	Confident	80.5	Confident	24 Å²	24	50.6 Å²	50.6	17%	0.168	28%	0.282	C	S	.	.			trans	-77.6	160	-179.6	-57.3	0	0	0	0	114.1	P335 D336	P335-S340 WeakPolarHBondContact CB-OG 3.48Å; D336-S340 PolarHBondContact N-OG 2.85Å; D336-S340 WeakPolarHBondContact O-CB 3.14Å; D336-S340 PolarHBondContact O-N 2.93Å; D336-S340 PolarHBondContact O-OG 3.43Å
341	N	91.3	Very high	83	Confident	57 Å²	57	44.9 Å²	44.9	31%	0.305	25%	0.251	S	S	.	.			trans	-92.4	174.8	151.2	76.1	-46.1	0	0	0	110.1	K356 D486 G501	N341-K356 WeakPolarHBondContact O-CD 3.47Å; N341-K356 WeakPolarHBondContact O-CE 3.22Å; N341-K356 WeakPolarHBondContact O-CG 3.32Å; N341-K356 PolarHBondContact O-NZ 2.71Å; N341-K356 WeakPolarHBondContact OD1-CE 3.43Å; N341-K356 PolarHBondContact OD1-NZ 3.23Å; N341-D486 PolarHBondContact ND2-OD2 3.44Å; N341-G501 WeakPolarHBondContact CA-O 3.16Å; N341-G501 VanDerWaalsContact CB-C 3.45Å; N341-G501 WeakPolarHBondContact CB-O 3.47Å
342	F	94.9	Very high	85.4	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.026	22%	0.222	C	C	.	.			trans	-116.5	149.4	-177	-59	-78.1	0	0	0	110.2	V345 F354 F355 K356 W361 I522 L527	F342-V345 HydrophobicContact CB-CG2 3.76Å; F342-V345 HydrophobicContact CG-CG2 4.38Å; F342-F354 HydrophobicContact CD1-CB 3.73Å; F342-F354 HydrophobicContact CD1-CD1 4.23Å; F342-F354 HydrophobicContact CD1-CG 4.49Å; F342-F354 AromaticContact CD2-CD1 3.95Å; F342-F354 HydrophobicContact CD2-CD1 3.95Å; F342-F354 HydrophobicContact CE1-CB 4Å; F342-F354 HydrophobicContact CE2-CD1 4.3Å; F342-F354 HydrophobicContact CG-CB 4.24Å; F342-F354 AromaticContact CG-CD1 3.94Å; F342-F354 HydrophobicContact CG-CD1 3.94Å; F342-F355 CarbonylContact C-O 3.5Å; F342-F355 WeakPolarHBondContact CA-O 3.23Å; F342-F355 WeakPolarHBondContact CB-O 3.46Å; F342-K356 HydrophobicContact CD1-CB 4.24Å; F342-W361 HydrophobicContact CD1-CE3 4.47Å; F342-W361 HydrophobicContact CD1-CZ3 4.31Å; F342-W361 AromaticContact CE1-CE3 3.79Å; F342-W361 HydrophobicContact CE1-CE3 3.79Å; F342-W361 HydrophobicContact CE1-CH2 4.49Å; F342-W361 AromaticContact CE1-CZ3 3.61Å; F342-W361 HydrophobicContact CE1-CZ3 3.61Å; F342-I522 HydrophobicContact CD2-CD1 4.05Å; F342-I522 HydrophobicContact CD2-CG2 4.23Å; F342-I522 HydrophobicContact CE2-CB 4.47Å; F342-I522 HydrophobicContact CE2-CD1 4.36Å; F342-I522 HydrophobicContact CE2-CG2 3.83Å; F342-L527 HydrophobicContact CE1-CD1 4.15Å; F342-L527 HydrophobicContact CE2-CD1 3.67Å; F342-L527 HydrophobicContact CZ-CD1 3.25Å
343	D	94.9	Very high	87.7	Confident	39 Å²	39	35.1 Å²	35.1	21%	0.209	19%	0.193	C	C	.	.	S	Bend	trans	-97.3	-16.4	-179.7	-52.2	-33	0	0	0	112.3	F355 K356 G357 S390 V391 D392	D343-F355 PolarHBondContact N-O 3.28Å; D343-K356 WeakPolarHBondContact OD1-CD 3.14Å; D343-K356 IonicContact OD1-NZ 2.62Å; D343-K356 PolarHBondContact OD1-NZ 3.14Å; D343-K356 WeakPolarHBondContact OD2-CD 3.48Å; D343-G357 PolarHBondContact OD2-N 3.42Å; D343-S390 VanDerWaalsContact OD2-CB 3.27Å; D343-S390 WeakPolarHBondContact OD2-CB 3.47Å; D343-V391 WeakPolarHBondContact CB-O 3.11Å; D343-D392 CarbonylContact O-C 3.54Å
344	A	96.3	Very high	89.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	150.4	166.7	0	0	0	0	0	109.3	F355 V391 V394 D487	A344-F355 HydrophobicContact CB-CB 4.13Å; A344-F355 HydrophobicContact CB-CD2 4Å; A344-F355 HydrophobicContact CB-CG 4.39Å; A344-F355 PolarHBondContact O-N 2.95Å; A344-V391 HydrophobicContact CB-CG2 3.74Å; A344-V394 HydrophobicContact CB-CG2 4.08Å; A344-D487 WeakPolarHBondContact CA-OD2 3.12Å; A344-D487 WeakPolarHBondContact CB-OD2 3.38Å
345	V	96.7	Very high	90.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	111.3	177.3	-174.6	0	0	0	0	109.8	F342 F353 F354 D487 M489 F499	F342-V345 HydrophobicContact CB-CG2 3.76Å; F342-V345 HydrophobicContact CG-CG2 4.38Å; V345-F353 CarbonylContact C-O 3.56Å; V345-F353 WeakPolarHBondContact CA-O 3.22Å; V345-F354 HydrophobicContact CB-CD1 4.29Å; V345-F354 HydrophobicContact CB-CE1 4.4Å; V345-F354 HydrophobicContact CG1-CD1 3.65Å; V345-F354 HydrophobicContact CG1-CD2 4.35Å; V345-F354 HydrophobicContact CG1-CE1 3.47Å; V345-F354 VanDerWaalsContact CG1-CE1 3.47Å; V345-F354 HydrophobicContact CG1-CE2 4.21Å; V345-F354 HydrophobicContact CG1-CG 4.09Å; V345-F354 HydrophobicContact CG1-CZ 3.77Å; V345-F354 HydrophobicContact CG2-CD1 3.61Å; V345-F354 HydrophobicContact CG2-CE1 3.95Å; V345-F354 HydrophobicContact CG2-CG 4.4Å; V345-D487 HydrophobicContact CB-CB 4.33Å; V345-D487 PolarHBondContact N-OD2 2.71Å; V345-M489 HydrophobicContact CG1-CE 3.81Å; V345-M489 HydrophobicContact CG1-CG 4.24Å; V345-M489 HydrophobicContact CG1-SD 4.16Å; V345-M489 WeakPolarHBondContact O-CB 3.47Å; V345-F499 HydrophobicContact CB-CD2 3.86Å; V345-F499 HydrophobicContact CB-CE2 4Å; V345-F499 HydrophobicContact CB-CG 4.24Å; V345-F499 HydrophobicContact CB-CZ 4.44Å; V345-F499 HydrophobicContact CG1-CD2 4.07Å; V345-F499 HydrophobicContact CG1-CE1 4.15Å; V345-F499 HydrophobicContact CG1-CE2 3.71Å; V345-F499 HydrophobicContact CG1-CG 4.49Å; V345-F499 HydrophobicContact CG1-CZ 3.75Å; V345-F499 HydrophobicContact CG2-CB 4.49Å; V345-F499 HydrophobicContact CG2-CD1 4.31Å; V345-F499 HydrophobicContact CG2-CD2 4.19Å; V345-F499 HydrophobicContact CG2-CG 4.05Å
346	A	95.4	Very high	91.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.1	-169.7	0	0	0	0	0	113.3	I348 A352 F353 F355 V394	A346-I348 HydrophobicContact CB-CD1 4.35Å; A346-I348 HydrophobicContact CB-CG1 4.31Å; A346-A352 CarbonylContact O-C 3.56Å; A346-F353 PolarHBondContact N-O 3.12Å; A346-F353 PolarHBondContact O-N 3.43Å; A346-F355 HydrophobicContact CB-CE2 4.36Å; A346-V394 HydrophobicContact CB-CB 3.87Å; A346-V394 HydrophobicContact CB-CG1 4.04Å; A346-V394 WeakPolarHBondContact CB-O 3.13Å
347	Q	92.9	Very high	91.5	Very high	31 Å²	31	26.3 Å²	26.3	15%	0.145	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.8	161	-178.5	175.7	69.2	0	0	109.5	E351 M489 R490 W491	Q347-E351 CarbonylContact C-O 3.5Å; Q347-E351 WeakPolarHBondContact CA-O 3.18Å; Q347-M489 HydrophobicContact CB-CB 4.45Å; Q347-M489 HydrophobicContact CB-SD 4.08Å; Q347-R490 WeakPolarHBondContact CB-O 3.36Å; Q347-R490 PolarHBondContact OE1-O 3.15Å; Q347-W491 HydrophobicContact CB-CE3 4.33Å; Q347-W491 HydrophobicContact CB-CZ3 4.39Å; Q347-W491 HydrophobicContact CG-CE3 4.2Å; Q347-W491 HydrophobicContact CG-CZ3 4.08Å
348	I	91.5	Very high	91.7	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.8	179	-63.8	167.8	0	0	0	108.4	A346 G350 E351 F353 W381 V394 E396 I403	A346-I348 HydrophobicContact CB-CD1 4.35Å; A346-I348 HydrophobicContact CB-CG1 4.31Å; I348-G350 PolarHBondContact O-N 2.75Å; I348-E351 PolarHBondContact N-O 3.07Å; I348-E351 PolarHBondContact O-N 2.81Å; I348-F353 HydrophobicContact CB-CD2 3.84Å; I348-F353 HydrophobicContact CB-CE2 3.76Å; I348-F353 HydrophobicContact CD1-CB 4.42Å; I348-F353 HydrophobicContact CD1-CD2 3.91Å; I348-F353 HydrophobicContact CD1-CE2 4.27Å; I348-F353 HydrophobicContact CD1-CG 4.06Å; I348-F353 HydrophobicContact CG1-CD2 4.21Å; I348-F353 HydrophobicContact CG2-CE2 4.19Å; I348-W381 HydrophobicContact CD1-CH2 3.92Å; I348-W381 HydrophobicContact CD1-CZ2 3.74Å; I348-W381 HydrophobicContact CG2-CH2 4.27Å; I348-V394 HydrophobicContact CD1-CG1 4.18Å; I348-E396 WeakPolarHBondContact CA-OE2 3.48Å; I348-I403 HydrophobicContact CD1-CG1 4.3Å; I348-I403 HydrophobicContact CD1-CG2 3.73Å; I348-I403 HydrophobicContact CG1-CG1 4.17Å; I348-I403 HydrophobicContact CG1-CG2 4.14Å; I348-I403 HydrophobicContact CG2-CD1 4.04Å; I348-I403 HydrophobicContact CG2-CG1 3.65Å
349	R	86.6	Confident	91.8	Very high	107 Å²	107	26.8 Å²	26.8	40%	0.404	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	21.1	-179.1	-61.1	179.4	174	-169.2	-6.4	113.9	R365 E396 D416	R349-R365 PolarHBondContact O-NE 2.76Å; R349-R365 PolarHBondContact O-NH2 2.88Å; R349-E396 PolarHBondContact N-OE2 3.12Å; R349-D416 IonicContact CZ-OD1 2.78Å; R349-D416 IonicContact NH1-OD1 3.39Å; R349-D416 PolarHBondContact NH1-OD1 3.19Å; R349-D416 IonicContact NH2-OD1 3.52Å; R349-D416 PolarHBondContact NH2-OD1 2.82Å
350	G	83.3	Confident	92.2	Very high	14 Å²	14	22.9 Å²	22.9	14%	0.144	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-10.4	-176.3	0	0	0	0	0	115	I348 R365 W491	I348-G350 PolarHBondContact O-N 2.75Å; G350-R365 VanDerWaalsContact O-CG 3.24Å; G350-R365 WeakPolarHBondContact O-CG 3.37Å; G350-W491 WeakPolarHBondContact O-CH2 3.38Å
351	E	90.1	Very high	92.5	Very high	40 Å²	40	21.9 Å²	21.9	19%	0.187	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	152.6	169.7	-65	-171.1	104.2	0	0	110.6	Q347 I348 F353 R362 L363	Q347-E351 CarbonylContact C-O 3.5Å; Q347-E351 WeakPolarHBondContact CA-O 3.18Å; I348-E351 PolarHBondContact N-O 3.07Å; I348-E351 PolarHBondContact O-N 2.81Å; E351-F353 HydrophobicContact CB-CD2 4.38Å; E351-F353 HydrophobicContact CB-CE2 3.89Å; E351-R362 HydrophobicContact CB-CG 4.3Å; E351-R362 VanDerWaalsContact CD-NH1 3.26Å; E351-R362 WeakPolarHBondContact OE1-CD 3.5Å; E351-R362 IonicContact OE1-CZ 3.58Å; E351-R362 IonicContact OE1-NE 3.84Å; E351-R362 PolarHBondContact OE1-NE 3.39Å; E351-R362 IonicContact OE1-NH1 3.96Å; E351-R362 PolarHBondContact OE1-NH1 2.84Å; E351-R362 WeakPolarHBondContact OE2-CD 3.33Å; E351-R362 IonicContact OE2-CZ 3.65Å; E351-R362 IonicContact OE2-NE 2.83Å; E351-R362 IonicContact OE2-NH1 3.83Å; E351-R362 PolarHBondContact OE2-NH1 2.64Å; E351-L363 CarbonylContact C-O 3.58Å; E351-L363 WeakPolarHBondContact CA-O 3.4Å; E351-L363 VanDerWaalsContact CB-O 3.22Å; E351-L363 WeakPolarHBondContact CB-O 3.37Å
352	A	92.3	Very high	92.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.7	169.7	0	0	0	0	0	110.2	A346 F354 R362 L363 M489 W491	A346-A352 CarbonylContact O-C 3.56Å; A352-F354 HydrophobicContact CB-CD2 4.35Å; A352-F354 HydrophobicContact CB-CE2 3.89Å; A352-R362 CarbonylContact O-C 3.57Å; A352-R362 VanDerWaalsContact O-CA 3.3Å; A352-R362 WeakPolarHBondContact O-CA 3.29Å; A352-L363 HydrophobicContact CB-CB 4.13Å; A352-L363 HydrophobicContact CB-CD1 4.38Å; A352-L363 HydrophobicContact CB-CD2 4.39Å; A352-L363 PolarHBondContact N-O 3.34Å; A352-L363 PolarHBondContact O-N 3.09Å; A352-M489 HydrophobicContact CB-CE 4.07Å; A352-M489 HydrophobicContact CB-SD 4.32Å; A352-W491 HydrophobicContact CB-CE3 4.42Å; A352-W491 HydrophobicContact CB-CH2 3.76Å; A352-W491 HydrophobicContact CB-CZ3 3.49Å; A352-W491 VanDerWaalsContact CB-CZ3 3.49Å
353	F	94.6	Very high	91.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.2	173.2	-73.5	-111.2	0	0	0	109.1	V345 A346 I348 E351 F355 F360 W361 R362 F380 W381	V345-F353 CarbonylContact C-O 3.56Å; V345-F353 WeakPolarHBondContact CA-O 3.22Å; A346-F353 PolarHBondContact N-O 3.12Å; A346-F353 PolarHBondContact O-N 3.43Å; I348-F353 HydrophobicContact CB-CD2 3.84Å; I348-F353 HydrophobicContact CB-CE2 3.76Å; I348-F353 HydrophobicContact CD1-CB 4.42Å; I348-F353 HydrophobicContact CD1-CD2 3.91Å; I348-F353 HydrophobicContact CD1-CE2 4.27Å; I348-F353 HydrophobicContact CD1-CG 4.06Å; I348-F353 HydrophobicContact CG1-CD2 4.21Å; I348-F353 HydrophobicContact CG2-CE2 4.19Å; E351-F353 HydrophobicContact CB-CD2 4.38Å; E351-F353 HydrophobicContact CB-CE2 3.89Å; F353-F355 HydrophobicContact CB-CD2 4.28Å; F353-F355 HydrophobicContact CB-CE2 3.52Å; F353-F355 HydrophobicContact CB-CZ 3.82Å; F353-F355 HydrophobicContact CD1-CZ 4.13Å; F353-F355 HydrophobicContact CG-CE2 4.47Å; F353-F355 HydrophobicContact CG-CZ 4.33Å; F353-F360 AromaticContact CD1-CD2 3.49Å; F353-F360 HydrophobicContact CD1-CD2 3.49Å; F353-F360 VanDerWaalsContact CD1-CD2 3.49Å; F353-F360 AromaticContact CD1-CE2 3.6Å; F353-F360 HydrophobicContact CD1-CE2 3.6Å; F353-F360 HydrophobicContact CD1-CG 4.38Å; F353-F360 AromaticContact CE1-CD2 3.98Å; F353-F360 HydrophobicContact CE1-CD2 3.98Å; F353-F360 AromaticContact CE1-CE2 3.56Å; F353-F360 HydrophobicContact CE1-CE2 3.56Å; F353-F360 HydrophobicContact CE1-CZ 4.32Å; F353-W361 CarbonylContact C-O 3.5Å; F353-W361 WeakPolarHBondContact CA-O 3.43Å; F353-R362 HydrophobicContact CD2-CG 4.37Å; F353-R362 HydrophobicContact CE1-CB 4.44Å; F353-R362 HydrophobicContact CE1-CG 4.13Å; F353-R362 HydrophobicContact CE2-CG 3.98Å; F353-R362 HydrophobicContact CZ-CG 3.86Å; F353-F380 HydrophobicContact CE1-CD1 4.26Å; F353-F380 AromaticContact CE1-CE1 3.86Å; F353-F380 HydrophobicContact CE1-CE1 3.86Å; F353-F380 HydrophobicContact CE1-CZ 4.19Å; F353-F380 AromaticContact CZ-CE1 3.94Å; F353-F380 HydrophobicContact CZ-CE1 3.94Å; F353-F380 HydrophobicContact CZ-CZ 4.03Å; F353-W381 HydrophobicContact CD1-CZ2 4.23Å; F353-W381 AromaticContact CE1-CZ2 3.81Å; F353-W381 HydrophobicContact CE1-CZ2 3.81Å; F353-W381 HydrophobicContact CZ-CZ2 4.18Å
354	F	95.6	Very high	91.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.7	176.7	-74.5	-99.5	0	0	0	108.5	F342 V345 A352 F360 W361 L363 M489 F499 I522 W526 L527	F342-F354 HydrophobicContact CD1-CB 3.73Å; F342-F354 HydrophobicContact CD1-CD1 4.23Å; F342-F354 HydrophobicContact CD1-CG 4.49Å; F342-F354 AromaticContact CD2-CD1 3.95Å; F342-F354 HydrophobicContact CD2-CD1 3.95Å; F342-F354 HydrophobicContact CE1-CB 4Å; F342-F354 HydrophobicContact CE2-CD1 4.3Å; F342-F354 HydrophobicContact CG-CB 4.24Å; F342-F354 AromaticContact CG-CD1 3.94Å; F342-F354 HydrophobicContact CG-CD1 3.94Å; V345-F354 HydrophobicContact CB-CD1 4.29Å; V345-F354 HydrophobicContact CB-CE1 4.4Å; V345-F354 HydrophobicContact CG1-CD1 3.65Å; V345-F354 HydrophobicContact CG1-CD2 4.35Å; V345-F354 HydrophobicContact CG1-CE1 3.47Å; V345-F354 VanDerWaalsContact CG1-CE1 3.47Å; V345-F354 HydrophobicContact CG1-CE2 4.21Å; V345-F354 HydrophobicContact CG1-CG 4.09Å; V345-F354 HydrophobicContact CG1-CZ 3.77Å; V345-F354 HydrophobicContact CG2-CD1 3.61Å; V345-F354 HydrophobicContact CG2-CE1 3.95Å; V345-F354 HydrophobicContact CG2-CG 4.4Å; A352-F354 HydrophobicContact CB-CD2 4.35Å; A352-F354 HydrophobicContact CB-CE2 3.89Å; F354-F360 CarbonylContact O-C 3.53Å; F354-F360 WeakPolarHBondContact O-CA 3.43Å; F354-F360 WeakPolarHBondContact O-CB 3.37Å; F354-W361 PolarHBondContact N-O 3.36Å; F354-W361 PolarHBondContact O-N 3.26Å; F354-L363 HydrophobicContact CD2-CD1 3.57Å; F354-L363 HydrophobicContact CE2-CD1 3.77Å; F354-L363 HydrophobicContact CE2-CD2 3.96Å; F354-M489 HydrophobicContact CE2-CE 4.48Å; F354-M489 HydrophobicContact CZ-CE 4.23Å; F354-F499 HydrophobicContact CE1-CD1 4.41Å; F354-F499 AromaticContact CE1-CE1 3.95Å; F354-F499 HydrophobicContact CE1-CE1 3.95Å; F354-F499 HydrophobicContact CZ-CE1 4.3Å; F354-I522 HydrophobicContact CD1-CG2 4.12Å; F354-I522 HydrophobicContact CE1-CG2 3.53Å; F354-I522 HydrophobicContact CZ-CG2 4.25Å; F354-W526 HydrophobicContact CE2-CB 4.24Å; F354-W526 HydrophobicContact CE2-CD2 4.45Å; F354-W526 HydrophobicContact CE2-CE3 4.2Å; F354-W526 HydrophobicContact CZ-CB 3.81Å; F354-W526 AromaticContact CZ-CD2 3.88Å; F354-W526 HydrophobicContact CZ-CD2 3.88Å; F354-W526 HydrophobicContact CZ-CE3 4.05Å; F354-W526 AromaticContact CZ-CG 3.81Å; F354-W526 HydrophobicContact CZ-CG 3.81Å; F354-L527 HydrophobicContact CD2-CD2 4.15Å; F354-L527 HydrophobicContact CE2-CD2 4.44Å; F354-L527 HydrophobicContact CG-CD2 4.29Å
355	F	95.7	Very high	90.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.7	-176.5	-61.5	-92.8	0	0	0	111.3	F342 D343 A344 A346 F353 Y359 F360 I377 W381 V391 V394 F405	F342-F355 CarbonylContact C-O 3.5Å; F342-F355 WeakPolarHBondContact CA-O 3.23Å; F342-F355 WeakPolarHBondContact CB-O 3.46Å; D343-F355 PolarHBondContact N-O 3.28Å; A344-F355 HydrophobicContact CB-CB 4.13Å; A344-F355 HydrophobicContact CB-CD2 4Å; A344-F355 HydrophobicContact CB-CG 4.39Å; A344-F355 PolarHBondContact O-N 2.95Å; A346-F355 HydrophobicContact CB-CE2 4.36Å; F353-F355 HydrophobicContact CB-CD2 4.28Å; F353-F355 HydrophobicContact CB-CE2 3.52Å; F353-F355 HydrophobicContact CB-CZ 3.82Å; F353-F355 HydrophobicContact CD1-CZ 4.13Å; F353-F355 HydrophobicContact CG-CE2 4.47Å; F353-F355 HydrophobicContact CG-CZ 4.33Å; F355-Y359 WeakPolarHBondContact CA-O 3.14Å; F355-F360 HydrophobicContact CB-CB 4.47Å; F355-F360 HydrophobicContact CD1-CB 3.53Å; F355-F360 HydrophobicContact CD1-CG 4.26Å; F355-F360 HydrophobicContact CE1-CB 3.87Å; F355-F360 HydrophobicContact CE1-CD1 4.4Å; F355-F360 HydrophobicContact CE1-CG 4.13Å; F355-F360 HydrophobicContact CG-CB 4.04Å; F355-I377 HydrophobicContact CD1-CD1 3.81Å; F355-I377 HydrophobicContact CD1-CG1 4.26Å; F355-I377 HydrophobicContact CE1-CD1 3.97Å; F355-I377 HydrophobicContact CE1-CG1 4.15Å; F355-W381 AromaticContact CE1-NE1 3.82Å; F355-V391 HydrophobicContact CB-CG2 3.62Å; F355-V391 HydrophobicContact CD1-CG2 4.07Å; F355-V391 HydrophobicContact CD2-CG2 4.43Å; F355-V391 HydrophobicContact CG-CG2 3.8Å; F355-V394 HydrophobicContact CD2-CG2 4.23Å; F355-V394 HydrophobicContact CE2-CB 4.19Å; F355-V394 HydrophobicContact CE2-CG1 4.34Å; F355-V394 HydrophobicContact CE2-CG2 3.95Å; F355-V394 HydrophobicContact CZ-CG2 4.34Å; F355-F405 HydrophobicContact CD1-CE1 4.49Å; F355-F405 AromaticContact CE1-CE1 3.7Å; F355-F405 HydrophobicContact CE1-CE1 3.7Å; F355-F405 HydrophobicContact CE1-CZ 4.07Å; F355-F405 AromaticContact CZ-CE1 3.72Å; F355-F405 HydrophobicContact CZ-CE1 3.72Å; F355-F405 AromaticContact CZ-CZ 3.82Å; F355-F405 HydrophobicContact CZ-CZ 3.82Å
356	K	94.2	Very high	89.4	Confident	37 Å²	37	34.4 Å²	34.4	16%	0.161	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	115.7	171.4	-173.2	48.3	161.8	-166	0	110.6	P335 N341 F342 D343 Y359 W361	P335-K356 HydrophobicContact CB-CB 4.28Å; P335-K356 HydrophobicContact CB-CG 3.66Å; P335-K356 HydrophobicContact CG-CB 3.94Å; P335-K356 HydrophobicContact CG-CG 3.77Å; N341-K356 WeakPolarHBondContact O-CD 3.47Å; N341-K356 WeakPolarHBondContact O-CE 3.22Å; N341-K356 WeakPolarHBondContact O-CG 3.32Å; N341-K356 PolarHBondContact O-NZ 2.71Å; N341-K356 WeakPolarHBondContact OD1-CE 3.43Å; N341-K356 PolarHBondContact OD1-NZ 3.23Å; F342-K356 HydrophobicContact CD1-CB 4.24Å; D343-K356 WeakPolarHBondContact OD1-CD 3.14Å; D343-K356 IonicContact OD1-NZ 2.62Å; D343-K356 PolarHBondContact OD1-NZ 3.14Å; D343-K356 WeakPolarHBondContact OD2-CD 3.48Å; K356-Y359 PolarHBondContact N-O 2.78Å; K356-Y359 VanDerWaalsContact O-CB 3.3Å; K356-Y359 WeakPolarHBondContact O-CB 3.42Å; K356-Y359 PolarHBondContact O-N 2.75Å; K356-Y359 VanDerWaalsContact O-N 3.11Å; K356-W361 HydrophobicContact CB-CZ3 4.04Å
357	G	91.9	Very high	88.6	Confident	19 Å²	19	36.8 Å²	36.8	20%	0.196	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-139.4	-172.5	0	0	0	0	0	112.1	D343 Y359 D389	D343-G357 PolarHBondContact OD2-N 3.42Å; G357-Y359 PolarHBondContact O-N 3.2Å; G357-D389 CarbonylContact C-O 3.41Å; G357-D389 WeakPolarHBondContact CA-O 3.5Å
358	K	89.6	Confident	87.7	Confident	71 Å²	71	40.2 Å²	40.2	31%	0.309	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	16.1	171.9	65.3	-163.5	171.4	-167.9	0	115.2	D333 H376 I377 D389	D333-K358 IonicContact OD2-NZ 2.68Å; D333-K358 PolarHBondContact OD2-NZ 3.32Å; K358-H376 PolarHBondContact O-ND1 3.42Å; K358-I377 PolarHBondContact O-N 3.06Å; K358-D389 PolarHBondContact N-O 2.71Å; K358-D389 VanDerWaalsContact N-O 3.08Å
359	Y	90.9	Very high	86.9	Confident	23 Å²	23	40.9 Å²	40.9	9%	0.09	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	164.9	-171.1	-60.8	-83.5	0	0	0	114.2	D333 P335 F355 K356 G357 P374 A375 H376	D333-Y359 WeakPolarHBondContact O-CE2 3.49Å; P335-Y359 HydrophobicContact CG-CD2 3.95Å; P335-Y359 HydrophobicContact CG-CG 4.4Å; F355-Y359 WeakPolarHBondContact CA-O 3.14Å; K356-Y359 PolarHBondContact N-O 2.78Å; K356-Y359 VanDerWaalsContact O-CB 3.3Å; K356-Y359 WeakPolarHBondContact O-CB 3.42Å; K356-Y359 PolarHBondContact O-N 2.75Å; K356-Y359 VanDerWaalsContact O-N 3.11Å; G357-Y359 PolarHBondContact O-N 3.2Å; Y359-P374 HydrophobicContact CD1-CB 3.8Å; Y359-P374 HydrophobicContact CD1-CG 4.19Å; Y359-P374 HydrophobicContact CG-CB 3.97Å; Y359-P374 HydrophobicContact CG-CG 4.49Å; Y359-A375 CarbonylContact C-O 3.57Å; Y359-A375 VanDerWaalsContact CA-O 3.24Å; Y359-A375 WeakPolarHBondContact CA-O 3.32Å; Y359-H376 AromaticContact CD1-CE1 3.93Å; Y359-H376 AromaticContact CD1-ND1 3.74Å; Y359-H376 AromaticContact CE1-CD2 3.83Å; Y359-H376 AromaticContact CE1-CE1 3.15Å; Y359-H376 WeakPolarHBondContact CE1-CE1 3.29Å; Y359-H376 AromaticContact CE1-CG 3.85Å; Y359-H376 AromaticContact CE1-ND1 3.43Å; Y359-H376 WeakPolarHBondContact CE1-ND1 3.32Å; Y359-H376 AromaticContact CE1-NE2 3.4Å; Y359-H376 WeakPolarHBondContact CE1-NE2 3.21Å; Y359-H376 AromaticContact CZ-CE1 3.29Å; Y359-H376 AromaticContact CZ-ND1 3.89Å; Y359-H376 AromaticContact CZ-NE2 3.78Å; Y359-H376 PolarHBondContact OH-CE1 3.05Å; Y359-H376 VanDerWaalsContact OH-CE1 3.26Å
360	F	92.1	Very high	85.9	Confident	4 Å²	4	39 Å²	39	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	159.6	166.8	71	-81.2	0	0	0	113.3	F353 F354 F355 R362 P374 A375 I377 F380	F353-F360 AromaticContact CD1-CD2 3.49Å; F353-F360 HydrophobicContact CD1-CD2 3.49Å; F353-F360 VanDerWaalsContact CD1-CD2 3.49Å; F353-F360 AromaticContact CD1-CE2 3.6Å; F353-F360 HydrophobicContact CD1-CE2 3.6Å; F353-F360 HydrophobicContact CD1-CG 4.38Å; F353-F360 AromaticContact CE1-CD2 3.98Å; F353-F360 HydrophobicContact CE1-CD2 3.98Å; F353-F360 AromaticContact CE1-CE2 3.56Å; F353-F360 HydrophobicContact CE1-CE2 3.56Å; F353-F360 HydrophobicContact CE1-CZ 4.32Å; F354-F360 CarbonylContact O-C 3.53Å; F354-F360 WeakPolarHBondContact O-CA 3.43Å; F354-F360 WeakPolarHBondContact O-CB 3.37Å; F355-F360 HydrophobicContact CB-CB 4.47Å; F355-F360 HydrophobicContact CD1-CB 3.53Å; F355-F360 HydrophobicContact CD1-CG 4.26Å; F355-F360 HydrophobicContact CE1-CB 3.87Å; F355-F360 HydrophobicContact CE1-CD1 4.4Å; F355-F360 HydrophobicContact CE1-CG 4.13Å; F355-F360 HydrophobicContact CG-CB 4.04Å; F360-R362 HydrophobicContact CE2-CB 4.24Å; F360-P374 CarbonylContact O-C 3.59Å; F360-P374 WeakPolarHBondContact O-CA 3.33Å; F360-A375 HydrophobicContact CD1-CB 4.25Å; F360-A375 WeakPolarHBondContact CD1-O 3.04Å; F360-A375 HydrophobicContact CE1-CB 3.74Å; F360-A375 HydrophobicContact CE2-CB 4.2Å; F360-A375 HydrophobicContact CZ-CB 3.71Å; F360-A375 PolarHBondContact N-O 3.45Å; F360-A375 PolarHBondContact O-N 2.98Å; F360-I377 HydrophobicContact CD1-CB 4.47Å; F360-F380 HydrophobicContact CE1-CB 3.72Å; F360-F380 HydrophobicContact CE1-CG 4.41Å; F360-F380 HydrophobicContact CZ-CB 3.5Å; F360-F380 HydrophobicContact CZ-CD1 4.3Å; F360-F380 HydrophobicContact CZ-CD2 4.11Å; F360-F380 AromaticContact CZ-CG 3.73Å; F360-F380 HydrophobicContact CZ-CG 3.73Å
361	W	91.2	Very high	85.2	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.011	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	152.3	162.9	-67.7	-97	0	0	0	110.5	P335 R337 F342 F353 F354 K356 L369 L372 P374	P335-W361 HydrophobicContact CB-CH2 3.99Å; P335-W361 HydrophobicContact CG-CH2 3.76Å; P335-W361 HydrophobicContact CG-CZ3 4.23Å; P335-W361 WeakPolarHBondContact O-CH2 3.35Å; P335-W361 WeakPolarHBondContact O-CZ2 3.07Å; R337-W361 HydrophobicContact CB-CD2 4.12Å; R337-W361 HydrophobicContact CB-CH2 4.15Å; R337-W361 HydrophobicContact CB-CZ2 3.55Å; F342-W361 HydrophobicContact CD1-CE3 4.47Å; F342-W361 HydrophobicContact CD1-CZ3 4.31Å; F342-W361 AromaticContact CE1-CE3 3.79Å; F342-W361 HydrophobicContact CE1-CE3 3.79Å; F342-W361 HydrophobicContact CE1-CH2 4.49Å; F342-W361 AromaticContact CE1-CZ3 3.61Å; F342-W361 HydrophobicContact CE1-CZ3 3.61Å; F353-W361 CarbonylContact C-O 3.5Å; F353-W361 WeakPolarHBondContact CA-O 3.43Å; F354-W361 PolarHBondContact N-O 3.36Å; F354-W361 PolarHBondContact O-N 3.26Å; K356-W361 HydrophobicContact CB-CZ3 4.04Å; W361-L369 HydrophobicContact CB-CD1 4Å; W361-L369 HydrophobicContact CG-CD1 4.43Å; W361-L372 PolarHBondContact NE1-O 2.97Å; W361-L372 VanDerWaalsContact NE1-O 3.16Å; W361-P374 HydrophobicContact CD2-CB 4.17Å; W361-P374 HydrophobicContact CE3-CB 4.46Å; W361-P374 HydrophobicContact CH2-CB 3.99Å; W361-P374 HydrophobicContact CH2-CG 4.21Å; W361-P374 HydrophobicContact CZ2-CB 3.61Å; W361-P374 HydrophobicContact CZ2-CG 3.65Å; W361-P374 HydrophobicContact CZ3-CB 4.37Å
362	R	86.8	Confident	84.2	Confident	74 Å²	74	42.5 Å²	42.5	28%	0.279	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.4	178.3	-172.6	172.3	69.7	137.9	-6.4	110.9	E351 A352 F353 F360 V370	E351-R362 HydrophobicContact CB-CG 4.3Å; E351-R362 VanDerWaalsContact CD-NH1 3.26Å; E351-R362 WeakPolarHBondContact OE1-CD 3.5Å; E351-R362 IonicContact OE1-CZ 3.58Å; E351-R362 IonicContact OE1-NE 3.84Å; E351-R362 PolarHBondContact OE1-NE 3.39Å; E351-R362 IonicContact OE1-NH1 3.96Å; E351-R362 PolarHBondContact OE1-NH1 2.84Å; E351-R362 WeakPolarHBondContact OE2-CD 3.33Å; E351-R362 IonicContact OE2-CZ 3.65Å; E351-R362 IonicContact OE2-NE 2.83Å; E351-R362 IonicContact OE2-NH1 3.83Å; E351-R362 PolarHBondContact OE2-NH1 2.64Å; A352-R362 CarbonylContact O-C 3.57Å; A352-R362 VanDerWaalsContact O-CA 3.3Å; A352-R362 WeakPolarHBondContact O-CA 3.29Å; F353-R362 HydrophobicContact CD2-CG 4.37Å; F353-R362 HydrophobicContact CE1-CB 4.44Å; F353-R362 HydrophobicContact CE1-CG 4.13Å; F353-R362 HydrophobicContact CE2-CG 3.98Å; F353-R362 HydrophobicContact CZ-CG 3.86Å; F360-R362 HydrophobicContact CE2-CB 4.24Å; R362-V370 HydrophobicContact CB-CB 4.42Å; R362-V370 HydrophobicContact CB-CG2 4.4Å; R362-V370 HydrophobicContact CG-CG2 4.25Å; R362-V370 WeakPolarHBondContact O-CB 3.37Å; R362-V370 WeakPolarHBondContact O-CG2 3.34Å; R362-V370 PolarHBondContact O-N 3.14Å
363	L	85.9	Confident	82.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.2	176.2	-60.7	61.7	0	0	0	109.8	E351 A352 F354 H368 L369 W526 L527	E351-L363 CarbonylContact C-O 3.58Å; E351-L363 WeakPolarHBondContact CA-O 3.4Å; E351-L363 VanDerWaalsContact CB-O 3.22Å; E351-L363 WeakPolarHBondContact CB-O 3.37Å; A352-L363 HydrophobicContact CB-CB 4.13Å; A352-L363 HydrophobicContact CB-CD1 4.38Å; A352-L363 HydrophobicContact CB-CD2 4.39Å; A352-L363 PolarHBondContact N-O 3.34Å; A352-L363 PolarHBondContact O-N 3.09Å; F354-L363 HydrophobicContact CD2-CD1 3.57Å; F354-L363 HydrophobicContact CE2-CD1 3.77Å; F354-L363 HydrophobicContact CE2-CD2 3.96Å; L363-H368 CarbonylContact C-O 3.44Å; L363-H368 VanDerWaalsContact CA-O 3.24Å; L363-H368 WeakPolarHBondContact CA-O 3.33Å; L363-L369 HydrophobicContact CD1-CD1 3.77Å; L363-L369 HydrophobicContact CG-CD1 4.06Å; L363-W526 HydrophobicContact CD2-CB 4.17Å; L363-W526 HydrophobicContact CD2-CE3 3.97Å; L363-W526 WeakPolarHBondContact CD2-O 3.41Å; L363-L527 HydrophobicContact CD1-CD2 4.1Å
364	T	80.5	Confident	82.2	Confident	34 Å²	34	47.8 Å²	47.8	21%	0.209	23%	0.234	C	C	.	.			trans	-66.7	171.7	174.5	74.9	0	0	0	0	112.3	E366 K367 H368 V370	T364-E366 WeakPolarHBondContact CB-OE2 3.34Å; T364-E366 PolarHBondContact O-N 3.09Å; T364-E366 VanDerWaalsContact O-N 3.13Å; T364-E366 PolarHBondContact OG1-N 3.37Å; T364-E366 PolarHBondContact OG1-OE2 3.1Å; T364-K367 WeakPolarHBondContact O-CA 3.48Å; T364-K367 PolarHBondContact O-N 3.35Å; T364-H368 HydrophobicContact CG2-CB 4.29Å; T364-H368 PolarHBondContact N-O 3.04Å; T364-H368 PolarHBondContact OG1-N 2.81Å; T364-V370 HydrophobicContact CG2-CG2 3.87Å
365	R	82.1	Confident	81.3	Confident	132 Å²	132	49.8 Å²	49.8	50%	0.498	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.4	175.8	-72	168.3	177.6	-172.7	-2.1	113.5	R349 G350 K367 W491	R349-R365 PolarHBondContact O-NE 2.76Å; R349-R365 PolarHBondContact O-NH2 2.88Å; G350-R365 VanDerWaalsContact O-CG 3.24Å; G350-R365 WeakPolarHBondContact O-CG 3.37Å; R365-K367 VanDerWaalsContact C-N 3.32Å; R365-W491 WeakPolarHBondContact O-CZ2 3.47Å
366	E	74.3	Confident	80.6	Confident	125 Å²	125	52.8 Å²	52.8	58%	0.584	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	11.2	177.6	-42.6	70	-144.8	0	0	112.7	T364 H368	T364-E366 WeakPolarHBondContact CB-OE2 3.34Å; T364-E366 PolarHBondContact O-N 3.09Å; T364-E366 VanDerWaalsContact O-N 3.13Å; T364-E366 PolarHBondContact OG1-N 3.37Å; T364-E366 PolarHBondContact OG1-OE2 3.1Å; E366-H368 VanDerWaalsContact C-N 3.31Å; E366-H368 PolarHBondContact O-N 3.04Å
367	K	78	Confident	80	Confident	51 Å²	51	51.1 Å²	51.1	22%	0.222	26%	0.257	C	S	.	.			trans	63.5	23.1	-176.3	-51.9	-169.9	-178.3	-160.6	0	115.6	T364 R365 L369 W491 W526	T364-K367 WeakPolarHBondContact O-CA 3.48Å; T364-K367 PolarHBondContact O-N 3.35Å; R365-K367 VanDerWaalsContact C-N 3.32Å; K367-L369 PolarHBondContact O-N 3.49Å; K367-W491 VanDerWaalsContact CE-NE1 3.28Å; K367-W491 HydrophobicContact CG-CZ2 3.81Å; K367-W526 HydrophobicContact CD-CD2 4.36Å; K367-W526 HydrophobicContact CD-CE3 3.71Å; K367-W526 HydrophobicContact CD-CH2 4.33Å; K367-W526 HydrophobicContact CD-CZ3 3.7Å; K367-W526 HydrophobicContact CG-CE3 4.23Å; K367-W526 HydrophobicContact CG-CZ3 4.13Å; K367-W526 VanDerWaalsContact NZ-CZ3 3.29Å
368	H	74.8	Confident	79.2	Confident	103 Å²	103	53.2 Å²	53.2	48%	0.477	26%	0.261	S	S	.	.			trans	-75.3	123	168.3	-63.1	94	0	0	0	109.5	L363 T364 E366 V370	L363-H368 CarbonylContact C-O 3.44Å; L363-H368 VanDerWaalsContact CA-O 3.24Å; L363-H368 WeakPolarHBondContact CA-O 3.33Å; T364-H368 HydrophobicContact CG2-CB 4.29Å; T364-H368 PolarHBondContact N-O 3.04Å; T364-H368 PolarHBondContact OG1-N 2.81Å; E366-H368 VanDerWaalsContact C-N 3.31Å; E366-H368 PolarHBondContact O-N 3.04Å; H368-V370 PolarHBondContact O-N 3.33Å
369	L	74.8	Confident	78.2	Confident	20 Å²	20	55.9 Å²	55.9	11%	0.105	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-66.1	121.1	174.7	-175.8	63.3	0	0	0	109.9	W361 L363 K367 S371 L372 L527 L528	W361-L369 HydrophobicContact CB-CD1 4Å; W361-L369 HydrophobicContact CG-CD1 4.43Å; L363-L369 HydrophobicContact CD1-CD1 3.77Å; L363-L369 HydrophobicContact CG-CD1 4.06Å; K367-L369 PolarHBondContact O-N 3.49Å; L369-S371 VanDerWaalsContact CG-O 3.27Å; L369-S371 WeakPolarHBondContact CG-O 3.4Å; L369-L372 HydrophobicContact CD2-CD2 3.74Å; L369-L372 HydrophobicContact CG-CD2 4.45Å; L369-L527 HydrophobicContact CD1-CD2 4.27Å; L369-L528 HydrophobicContact CB-CD1 3.95Å
370	V	65.5	Low	77.4	Confident	68 Å²	68	57.2 Å²	57.2	41%	0.412	28%	0.276	S	S	.	.	S	Bend	trans	-72.9	-33.1	-172.9	177.5	0	0	0	0	112.1	R362 T364 H368	R362-V370 HydrophobicContact CB-CB 4.42Å; R362-V370 HydrophobicContact CB-CG2 4.4Å; R362-V370 HydrophobicContact CG-CG2 4.25Å; R362-V370 WeakPolarHBondContact O-CB 3.37Å; R362-V370 WeakPolarHBondContact O-CG2 3.34Å; R362-V370 PolarHBondContact O-N 3.14Å; T364-V370 HydrophobicContact CG2-CG2 3.87Å; H368-V370 PolarHBondContact O-N 3.33Å
371	S	67.8	Low	76.9	Confident	63 Å²	63	57.1 Å²	57.1	44%	0.441	28%	0.275	S	S	.	.			trans	-145	140.7	170.4	179.6	0	0	0	0	109.9	L369 H373	L369-S371 VanDerWaalsContact CG-O 3.27Å; L369-S371 WeakPolarHBondContact CG-O 3.4Å; S371-H373 PolarHBondContact O-N 2.84Å; S371-H373 PolarHBondContact OG-N 3.08Å; S371-H373 PolarHBondContact OG-O 3.32Å
372	L	69.4	Low	76.4	Confident	64 Å²	64	63.8 Å²	63.8	34%	0.335	30%	0.301	S	S	.	.	S	Bend	trans	-67.5	-24.9	174.2	-61.1	-157.8	0	0	0	112.1	R337 W361 L369	R337-L372 PolarHBondContact NH1-O 3.25Å; W361-L372 PolarHBondContact NE1-O 2.97Å; W361-L372 VanDerWaalsContact NE1-O 3.16Å; L369-L372 HydrophobicContact CD2-CD2 3.74Å; L369-L372 HydrophobicContact CG-CD2 4.45Å
373	H	66.1	Low	76.1	Confident	88 Å²	88	62.5 Å²	62.5	41%	0.407	31%	0.311	S	S	.	.	S	Bend	trans	-96.7	145.5	-179.7	-75	132.6	0	0	0	112.9	H238 S371 A375	H238-H373 AromaticContact CD2-CE1 3.53Å; H238-H373 AromaticContact CG-CE1 3.91Å; S371-H373 PolarHBondContact O-N 2.84Å; S371-H373 PolarHBondContact OG-N 3.08Å; S371-H373 PolarHBondContact OG-O 3.32Å; H373-A375 PolarHBondContact O-N 3.41Å
374	P	79.8	Confident	76.2	Confident	25 Å²	25	63 Å²	63	16%	0.162	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-65.5	130.9	174.6	20.2	-25.7	0	0	0	112	A334 Y359 F360 W361	A334-P374 HydrophobicContact CB-CG 4.34Å; Y359-P374 HydrophobicContact CD1-CB 3.8Å; Y359-P374 HydrophobicContact CD1-CG 4.19Å; Y359-P374 HydrophobicContact CG-CB 3.97Å; Y359-P374 HydrophobicContact CG-CG 4.49Å; F360-P374 CarbonylContact O-C 3.59Å; F360-P374 WeakPolarHBondContact O-CA 3.33Å; W361-P374 HydrophobicContact CD2-CB 4.17Å; W361-P374 HydrophobicContact CE3-CB 4.46Å; W361-P374 HydrophobicContact CH2-CB 3.99Å; W361-P374 HydrophobicContact CH2-CG 4.21Å; W361-P374 HydrophobicContact CZ2-CB 3.61Å; W361-P374 HydrophobicContact CZ2-CG 3.65Å; W361-P374 HydrophobicContact CZ3-CB 4.37Å
375	A	75	Confident	76.4	Confident	41 Å²	41	63.2 Å²	63.2	34%	0.339	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	140.8	168.3	0	0	0	0	0	110.5	Y359 F360 H373	Y359-A375 CarbonylContact C-O 3.57Å; Y359-A375 VanDerWaalsContact CA-O 3.24Å; Y359-A375 WeakPolarHBondContact CA-O 3.32Å; F360-A375 HydrophobicContact CD1-CB 4.25Å; F360-A375 WeakPolarHBondContact CD1-O 3.04Å; F360-A375 HydrophobicContact CE1-CB 3.74Å; F360-A375 HydrophobicContact CE2-CB 4.2Å; F360-A375 HydrophobicContact CZ-CB 3.71Å; F360-A375 PolarHBondContact N-O 3.45Å; F360-A375 PolarHBondContact O-N 2.98Å; H373-A375 PolarHBondContact O-N 3.41Å
376	H	81.6	Confident	76.1	Confident	64 Å²	64	62.8 Å²	62.8	30%	0.296	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.1	173.3	-90.8	-65.3	0	0	0	111.6	K358 Y359 H378 R379	K358-H376 PolarHBondContact O-ND1 3.42Å; Y359-H376 AromaticContact CD1-CE1 3.93Å; Y359-H376 AromaticContact CD1-ND1 3.74Å; Y359-H376 AromaticContact CE1-CD2 3.83Å; Y359-H376 AromaticContact CE1-CE1 3.15Å; Y359-H376 WeakPolarHBondContact CE1-CE1 3.29Å; Y359-H376 AromaticContact CE1-CG 3.85Å; Y359-H376 AromaticContact CE1-ND1 3.43Å; Y359-H376 WeakPolarHBondContact CE1-ND1 3.32Å; Y359-H376 AromaticContact CE1-NE2 3.4Å; Y359-H376 WeakPolarHBondContact CE1-NE2 3.21Å; Y359-H376 AromaticContact CZ-CE1 3.29Å; Y359-H376 AromaticContact CZ-ND1 3.89Å; Y359-H376 AromaticContact CZ-NE2 3.78Å; Y359-H376 PolarHBondContact OH-CE1 3.05Å; Y359-H376 VanDerWaalsContact OH-CE1 3.26Å; H376-H378 VanDerWaalsContact C-N 3.29Å; H376-H378 PolarHBondContact O-N 3.33Å; H376-R379 HydrophobicContact CB-CG 4.11Å; H376-R379 WeakPolarHBondContact O-CB 3.22Å; H376-R379 PolarHBondContact O-N 2.93Å
377	I	81.3	Confident	76.4	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-40.6	-175	-157.9	174.2	0	0	0	112.3	F355 K358 F360 R379 F380 W381 L384 L388 V391 F405	F355-I377 HydrophobicContact CD1-CD1 3.81Å; F355-I377 HydrophobicContact CD1-CG1 4.26Å; F355-I377 HydrophobicContact CE1-CD1 3.97Å; F355-I377 HydrophobicContact CE1-CG1 4.15Å; K358-I377 PolarHBondContact O-N 3.06Å; F360-I377 HydrophobicContact CD1-CB 4.47Å; I377-R379 VanDerWaalsContact C-N 3.33Å; I377-R379 PolarHBondContact O-N 3.07Å; I377-F380 PolarHBondContact O-N 2.97Å; I377-W381 HydrophobicContact CG1-CG 4.44Å; I377-W381 WeakPolarHBondContact O-CB 3.35Å; I377-W381 PolarHBondContact O-N 2.85Å; I377-L384 HydrophobicContact CD1-CD1 3.69Å; I377-L384 HydrophobicContact CG1-CD1 3.78Å; I377-L384 HydrophobicContact CG2-CD1 4.45Å; I377-L388 HydrophobicContact CD1-CD2 4.25Å; I377-V391 HydrophobicContact CD1-CG1 3.58Å; I377-F405 HydrophobicContact CD1-CE1 4.22Å
378	H	75.9	Confident	76.8	Confident	63 Å²	63	60.8 Å²	60.8	29%	0.292	33%	0.325	S	S	.	.	H	α-helix	trans	-70.7	-18.3	179.7	-62.2	-61.1	0	0	0	115.5	H376 P385	H376-H378 VanDerWaalsContact C-N 3.29Å; H376-H378 PolarHBondContact O-N 3.33Å; H378-P385 PolarHBondContact CE1-O 2.92Å; H378-P385 PolarHBondContact NE2-O 3.19Å
379	R	68.1	Low	77.4	Confident	128 Å²	128	62.2 Å²	62.2	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-70.2	-38.5	174.8	-73.9	-174.3	166.7	160.6	8.2	111.3	D147 H376 I377	D147-R379 PolarHBondContact O-NH2 3.38Å; D147-R379 IonicContact OD1-CZ 2.75Å; D147-R379 IonicContact OD1-NE 3.1Å; D147-R379 PolarHBondContact OD1-NE 3.49Å; D147-R379 IonicContact OD1-NH2 2.72Å; H376-R379 HydrophobicContact CB-CG 4.11Å; H376-R379 WeakPolarHBondContact O-CB 3.22Å; H376-R379 PolarHBondContact O-N 2.93Å; I377-R379 VanDerWaalsContact C-N 3.33Å; I377-R379 PolarHBondContact O-N 3.07Å
380	F	74.3	Confident	78.3	Confident	50 Å²	50	62.2 Å²	62.2	22%	0.219	34%	0.338	C	S	.	.	H	α-helix	trans	-95.2	-40	-177	-162.2	-86.8	0	0	0	112.3	F353 F360 I377 N417	F353-F380 HydrophobicContact CE1-CD1 4.26Å; F353-F380 AromaticContact CE1-CE1 3.86Å; F353-F380 HydrophobicContact CE1-CE1 3.86Å; F353-F380 HydrophobicContact CE1-CZ 4.19Å; F353-F380 AromaticContact CZ-CE1 3.94Å; F353-F380 HydrophobicContact CZ-CE1 3.94Å; F353-F380 HydrophobicContact CZ-CZ 4.03Å; F360-F380 HydrophobicContact CE1-CB 3.72Å; F360-F380 HydrophobicContact CE1-CG 4.41Å; F360-F380 HydrophobicContact CZ-CB 3.5Å; F360-F380 HydrophobicContact CZ-CD1 4.3Å; F360-F380 HydrophobicContact CZ-CD2 4.11Å; F360-F380 AromaticContact CZ-CG 3.73Å; F360-F380 HydrophobicContact CZ-CG 3.73Å; I377-F380 PolarHBondContact O-N 2.97Å; F380-N417 WeakPolarHBondContact CD1-ND2 3.45Å; F380-N417 WeakPolarHBondContact CE1-ND2 3.35Å; F380-N417 WeakPolarHBondContact CG-ND2 3.38Å; F380-N417 VanDerWaalsContact CZ-ND2 3.34Å; F380-N417 WeakPolarHBondContact CZ-ND2 3.17Å; F380-N417 VanDerWaalsContact O-CB 3.28Å; F380-N417 WeakPolarHBondContact O-CB 3.3Å; F380-N417 PolarHBondContact O-ND2 3.34Å
381	W	82.1	Confident	79.8	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.008	32%	0.319	C	S	.	.	S	Bend	trans	-107.4	94.3	-175	-57.7	103.9	0	0	0	111.4	I348 F353 F355 I377 L384 I403 F405 F414 D416	I348-W381 HydrophobicContact CD1-CH2 3.92Å; I348-W381 HydrophobicContact CD1-CZ2 3.74Å; I348-W381 HydrophobicContact CG2-CH2 4.27Å; F353-W381 HydrophobicContact CD1-CZ2 4.23Å; F353-W381 AromaticContact CE1-CZ2 3.81Å; F353-W381 HydrophobicContact CE1-CZ2 3.81Å; F353-W381 HydrophobicContact CZ-CZ2 4.18Å; F355-W381 AromaticContact CE1-NE1 3.82Å; I377-W381 HydrophobicContact CG1-CG 4.44Å; I377-W381 WeakPolarHBondContact O-CB 3.35Å; I377-W381 PolarHBondContact O-N 2.85Å; W381-L384 HydrophobicContact CB-CD1 3.78Å; W381-L384 HydrophobicContact CB-CG 4.29Å; W381-I403 HydrophobicContact CH2-CB 4.39Å; W381-I403 HydrophobicContact CH2-CD1 4.18Å; W381-I403 HydrophobicContact CH2-CG1 4.11Å; W381-I403 HydrophobicContact CH2-CG2 4.3Å; W381-I403 HydrophobicContact CZ3-CB 4.29Å; W381-I403 HydrophobicContact CZ3-CD1 4.16Å; W381-I403 HydrophobicContact CZ3-CG1 4.32Å; W381-I403 HydrophobicContact CZ3-CG2 4.46Å; W381-F405 AromaticContact CD1-CZ 3.98Å; W381-F405 AromaticContact CD2-CE2 3.74Å; W381-F405 HydrophobicContact CD2-CE2 3.74Å; W381-F405 AromaticContact CD2-CZ 3.52Å; W381-F405 HydrophobicContact CD2-CZ 3.52Å; W381-F405 AromaticContact CE2-CZ 3.52Å; W381-F405 AromaticContact CE3-CE2 3.69Å; W381-F405 HydrophobicContact CE3-CE2 3.69Å; W381-F405 AromaticContact CE3-CZ 3.99Å; W381-F405 HydrophobicContact CE3-CZ 3.99Å; W381-F405 HydrophobicContact CG-CE2 4.31Å; W381-F405 AromaticContact CG-CZ 3.83Å; W381-F405 HydrophobicContact CG-CZ 3.83Å; W381-F405 HydrophobicContact CH2-CE2 4.3Å; W381-F405 HydrophobicContact CH2-CZ 4.44Å; W381-F405 HydrophobicContact CZ2-CE2 4.33Å; W381-F405 HydrophobicContact CZ2-CZ 4.02Å; W381-F405 AromaticContact CZ3-CE2 3.99Å; W381-F405 HydrophobicContact CZ3-CE2 3.99Å; W381-F405 HydrophobicContact CZ3-CZ 4.43Å; W381-F405 AromaticContact NE1-CZ 3.78Å; W381-F414 HydrophobicContact CB-CE1 4.06Å; W381-F414 HydrophobicContact CB-CZ 4.38Å; W381-F414 HydrophobicContact CE3-CB 4.42Å; W381-F414 AromaticContact CE3-CD1 3.71Å; W381-F414 HydrophobicContact CE3-CD1 3.71Å; W381-F414 HydrophobicContact CE3-CE1 4.23Å; W381-F414 HydrophobicContact CE3-CG 4.03Å; W381-F414 HydrophobicContact CZ3-CB 4.3Å; W381-F414 HydrophobicContact CZ3-CD1 4.36Å; W381-F414 HydrophobicContact CZ3-CG 4.38Å; W381-D416 WeakPolarHBondContact CZ3-O 3.43Å
382	R	81.3	Confident	81.1	Confident	144 Å²	144	57.8 Å²	57.8	54%	0.543	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-82.5	124.9	-173.1	-54.4	-166.8	-169.3	105.5	-0.3	111.9	F414 N417 N418 V419	R382-F414 WeakPolarHBondContact O-CE1 3.39Å; R382-N417 PolarHBondContact N-O 2.8Å; R382-N418 PolarHBondContact NH1-OD1 3.28Å; R382-N418 VanDerWaalsContact NH1-OD1 3.1Å; R382-V419 PolarHBondContact O-N 3.19Å
383	G	80.1	Confident	82.4	Confident	47 Å²	47	54.7 Å²	54.7	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.7	2.3	178.3	0	0	0	0	0	115.5
384	L	87.1	Confident	83.9	Confident	10 Å²	10	50.6 Å²	50.6	5%	0.052	27%	0.272	C	S	.	.	S	Bend	trans	-65	150.2	159.2	-66	178.4	0	0	0	110.2	I377 W381 L388 F405 W412 F414	I377-L384 HydrophobicContact CD1-CD1 3.69Å; I377-L384 HydrophobicContact CG1-CD1 3.78Å; I377-L384 HydrophobicContact CG2-CD1 4.45Å; W381-L384 HydrophobicContact CB-CD1 3.78Å; W381-L384 HydrophobicContact CB-CG 4.29Å; L384-L388 HydrophobicContact CB-CD2 4Å; L384-L388 HydrophobicContact CD1-CD2 3.72Å; L384-L388 HydrophobicContact CD2-CD2 4.31Å; L384-L388 HydrophobicContact CG-CD2 4.22Å; L384-F405 HydrophobicContact CD2-CB 4.47Å; L384-W412 HydrophobicContact CD2-CB 4.36Å; L384-W412 HydrophobicContact CD2-CD2 4.22Å; L384-W412 HydrophobicContact CD2-CG 4.02Å; L384-F414 HydrophobicContact CD2-CE2 3.68Å; L384-F414 HydrophobicContact CD2-CZ 3.63Å; L384-F414 HydrophobicContact CG-CE2 4.23Å; L384-F414 HydrophobicContact CG-CZ 3.69Å
385	P	85.4	Confident	84.7	Confident	38 Å²	38	49.7 Å²	49.7	25%	0.247	27%	0.265	C	S	.	.			trans	-61.4	135.4	-178.7	-19.5	31.8	0	0	0	111.5	H378 N387 L388 W412	H378-P385 PolarHBondContact CE1-O 2.92Å; H378-P385 PolarHBondContact NE2-O 3.19Å; P385-N387 PolarHBondContact O-N 3.3Å; P385-L388 VanDerWaalsContact O-CB 3.25Å; P385-L388 WeakPolarHBondContact O-CB 3.34Å; P385-L388 PolarHBondContact O-N 2.59Å; P385-W412 HydrophobicContact CG-CH2 4.41Å; P385-W412 HydrophobicContact CG-CZ2 3.5Å; P385-W412 VanDerWaalsContact CG-CZ2 3.5Å
386	P	75.4	Confident	85.6	Confident	123 Å²	123	49 Å²	49	80%	0.799	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.8	-172.2	28.1	-36.7	0	0	0	114.8
387	N	80.9	Confident	86.1	Confident	120 Å²	120	46.9 Å²	46.9	64%	0.642	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	33.6	174.9	68.7	-69.5	0	0	0	111.9	P385 D389	P385-N387 PolarHBondContact O-N 3.3Å; N387-D389 PolarHBondContact O-N 3.47Å
388	L	86.1	Confident	86.5	Confident	14 Å²	14	47.2 Å²	47.2	7%	0.073	25%	0.246	C	C	.	.			trans	-78.8	101.6	179.1	-175.8	69.3	0	0	0	110.6	I377 L384 P385 S390 V391 K407	I377-L388 HydrophobicContact CD1-CD2 4.25Å; L384-L388 HydrophobicContact CB-CD2 4Å; L384-L388 HydrophobicContact CD1-CD2 3.72Å; L384-L388 HydrophobicContact CD2-CD2 4.31Å; L384-L388 HydrophobicContact CG-CD2 4.22Å; P385-L388 VanDerWaalsContact O-CB 3.25Å; P385-L388 WeakPolarHBondContact O-CB 3.34Å; P385-L388 PolarHBondContact O-N 2.59Å; L388-S390 WeakPolarHBondContact CD1-O 3.34Å; L388-S390 WeakPolarHBondContact CG-O 3.28Å; L388-V391 HydrophobicContact CD2-CG1 3.92Å; L388-K407 HydrophobicContact CD1-CB 4.17Å; L388-K407 HydrophobicContact CD1-CG 3.82Å
389	D	87.8	Confident	86.9	Confident	134 Å²	134	47.1 Å²	47.1	72%	0.717	26%	0.263	S	S	*	.			trans	-67.4	-38.5	-177.2	-57.8	-51.7	0	0	0	113	G357 K358 N387	G357-D389 CarbonylContact C-O 3.41Å; G357-D389 WeakPolarHBondContact CA-O 3.5Å; K358-D389 PolarHBondContact N-O 2.71Å; K358-D389 VanDerWaalsContact N-O 3.08Å; N387-D389 PolarHBondContact O-N 3.47Å
390	S	93.9	Very high	88	Confident	19 Å²	19	43.7 Å²	43.7	13%	0.133	25%	0.254	C	S	.	.			trans	-159.7	176	168.4	82.4	0	0	0	0	111.5	D343 L388 K407	D343-S390 VanDerWaalsContact OD2-CB 3.27Å; D343-S390 WeakPolarHBondContact OD2-CB 3.47Å; L388-S390 WeakPolarHBondContact CD1-O 3.34Å; L388-S390 WeakPolarHBondContact CG-O 3.28Å; S390-K407 WeakPolarHBondContact O-CD 3.48Å; S390-K407 WeakPolarHBondContact O-CE 3.31Å; S390-K407 PolarHBondContact O-NZ 2.88Å; S390-K407 PolarHBondContact OG-NZ 3.07Å
391	V	96.1	Very high	88.7	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	27%	0.267	C	S	.	.			trans	-103.8	159.6	165.2	-65.4	0	0	0	0	109.5	D343 A344 F355 I377 L388 V394 F405	D343-V391 WeakPolarHBondContact CB-O 3.11Å; A344-V391 HydrophobicContact CB-CG2 3.74Å; F355-V391 HydrophobicContact CB-CG2 3.62Å; F355-V391 HydrophobicContact CD1-CG2 4.07Å; F355-V391 HydrophobicContact CD2-CG2 4.43Å; F355-V391 HydrophobicContact CG-CG2 3.8Å; I377-V391 HydrophobicContact CD1-CG1 3.58Å; L388-V391 HydrophobicContact CD2-CG1 3.92Å; V391-V394 HydrophobicContact CB-CG2 4.4Å; V391-V394 HydrophobicContact CG2-CG2 4.17Å; V391-F405 HydrophobicContact CG1-CD1 3.78Å; V391-F405 HydrophobicContact CG1-CE1 4.27Å
392	D	95.8	Very high	89.3	Confident	35 Å²	35	48.8 Å²	48.8	19%	0.187	28%	0.277	C	S	.	.	S	Bend	trans	-106.9	-29.5	-180	-58.9	-21.9	0	0	0	113.5	D343 F406 K407 G408	D343-D392 CarbonylContact O-C 3.54Å; D392-F406 PolarHBondContact N-O 2.91Å; D392-K407 VanDerWaalsContact CG-CD 3.49Å; D392-K407 WeakPolarHBondContact OD1-CD 3.46Å; D392-K407 WeakPolarHBondContact OD1-CE 3.25Å; D392-K407 IonicContact OD1-NZ 2.75Å; D392-K407 PolarHBondContact OD1-NZ 2.85Å; D392-K407 WeakPolarHBondContact OD2-CA 3.33Å; D392-K407 WeakPolarHBondContact OD2-CD 3.42Å; D392-G408 PolarHBondContact OD2-N 3.29Å
393	A	96.4	Very high	90	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	152	175	0	0	0	0	0	110.3	F406 V437 V440	A393-F406 HydrophobicContact CB-CB 4.42Å; A393-F406 HydrophobicContact CB-CD2 4.35Å; A393-F406 PolarHBondContact O-N 3.3Å; A393-V437 HydrophobicContact CB-CG2 3.85Å; A393-V440 HydrophobicContact CB-CB 4.12Å; A393-V440 HydrophobicContact CB-CG1 3.5Å
394	V	97.4	Very high	90.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	133.2	179.8	-174.8	0	0	0	0	111.8	A344 A346 I348 F355 V391 I403 V404 F405	A344-V394 HydrophobicContact CB-CG2 4.08Å; A346-V394 HydrophobicContact CB-CB 3.87Å; A346-V394 HydrophobicContact CB-CG1 4.04Å; A346-V394 WeakPolarHBondContact CB-O 3.13Å; I348-V394 HydrophobicContact CD1-CG1 4.18Å; F355-V394 HydrophobicContact CD2-CG2 4.23Å; F355-V394 HydrophobicContact CE2-CB 4.19Å; F355-V394 HydrophobicContact CE2-CG1 4.34Å; F355-V394 HydrophobicContact CE2-CG2 3.95Å; F355-V394 HydrophobicContact CZ-CG2 4.34Å; V391-V394 HydrophobicContact CB-CG2 4.4Å; V391-V394 HydrophobicContact CG2-CG2 4.17Å; V394-I403 HydrophobicContact CG1-CG2 3.66Å; V394-V404 WeakPolarHBondContact CA-O 3.37Å; V394-F405 HydrophobicContact CB-CD1 4.43Å; V394-F405 HydrophobicContact CB-CE1 4.45Å; V394-F405 HydrophobicContact CG1-CD1 4.12Å; V394-F405 HydrophobicContact CG1-CD2 4.14Å; V394-F405 HydrophobicContact CG1-CE1 3.95Å; V394-F405 HydrophobicContact CG1-CE2 3.98Å; V394-F405 HydrophobicContact CG1-CG 4.21Å; V394-F405 HydrophobicContact CG1-CZ 3.87Å; V394-F405 HydrophobicContact CG2-CD1 3.41Å; V394-F405 VanDerWaalsContact CG2-CD1 3.41Å; V394-F405 HydrophobicContact CG2-CE1 3.55Å; V394-F405 HydrophobicContact CG2-CG 4.09Å; V394-F405 HydrophobicContact CG2-CZ 4.32Å
395	Y	96.3	Very high	91.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.3	171.2	79.6	-69.7	0	0	0	114.4	R397 I403 V404 F406 V440 V442 T449 D462	Y395-R397 HydrophobicContact CE2-CB 4.03Å; Y395-I403 CarbonylContact O-C 3.54Å; Y395-I403 WeakPolarHBondContact O-CA 3.46Å; Y395-V404 HydrophobicContact CD1-CB 3.73Å; Y395-V404 HydrophobicContact CD1-CG1 4.43Å; Y395-V404 HydrophobicContact CD1-CG2 4.16Å; Y395-V404 HydrophobicContact CE1-CB 3.46Å; Y395-V404 VanDerWaalsContact CE1-CB 3.46Å; Y395-V404 HydrophobicContact CE1-CG1 3.85Å; Y395-V404 HydrophobicContact CE1-CG2 3.63Å; Y395-V404 PolarHBondContact N-O 2.76Å; Y395-V404 PolarHBondContact O-N 2.85Å; Y395-F406 AromaticContact CD1-CE2 3.85Å; Y395-F406 HydrophobicContact CD1-CE2 3.85Å; Y395-F406 AromaticContact CE1-CE2 3.72Å; Y395-F406 HydrophobicContact CE1-CE2 3.72Å; Y395-F406 HydrophobicContact CE1-CZ 4.05Å; Y395-V440 HydrophobicContact CD1-CG1 3.81Å; Y395-V440 HydrophobicContact CD1-CG2 3.86Å; Y395-V440 HydrophobicContact CE1-CG2 4.26Å; Y395-V440 HydrophobicContact CG-CG1 4.32Å; Y395-V440 HydrophobicContact CG-CG2 4.26Å; Y395-V442 HydrophobicContact CD2-CG2 3.49Å; Y395-V442 VanDerWaalsContact CD2-CG2 3.49Å; Y395-V442 HydrophobicContact CE2-CG2 4.1Å; Y395-V442 HydrophobicContact CG-CG2 4.43Å; Y395-T449 HydrophobicContact CD2-CG2 4.15Å; Y395-T449 HydrophobicContact CE1-CG2 4.32Å; Y395-T449 HydrophobicContact CE2-CG2 3.81Å; Y395-T449 WeakPolarHBondContact CE2-OG1 3.08Å; Y395-D462 PolarHBondContact OH-OD1 2.87Å
396	E	94.4	Very high	91.8	Very high	27 Å²	27	37.6 Å²	37.6	13%	0.126	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.8	163.9	-175	-176.7	157.3	0	0	110.3	I348 R349 H401	I348-E396 WeakPolarHBondContact CA-OE2 3.48Å; R349-E396 PolarHBondContact N-OE2 3.12Å; E396-H401 IonicContact OE1-CE1 3.57Å; E396-H401 IonicContact OE1-CG 2.68Å; E396-H401 IonicContact OE1-ND1 3.72Å; E396-H401 PolarHBondContact OE1-ND1 2.91Å
397	R	92.8	Very high	92.8	Very high	19 Å²	19	34.7 Å²	34.7	7%	0.072	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-68.4	133.6	-178.8	173.4	174.9	-63.1	119.4	7	111.9	Y395 D400 H401 K402 V404 D462	Y395-R397 HydrophobicContact CE2-CB 4.03Å; R397-D400 WeakPolarHBondContact CD-OD1 3.36Å; R397-D400 WeakPolarHBondContact CG-OD1 3.41Å; R397-D400 IonicContact NH1-OD2 2.69Å; R397-H401 PolarHBondContact O-N 2.89Å; R397-K402 PolarHBondContact N-O 3.19Å; R397-V404 HydrophobicContact CB-CG2 4.35Å; R397-D462 WeakPolarHBondContact CD-OD1 3.35Å; R397-D462 HydrophobicContact CG-CB 3.97Å; R397-D462 WeakPolarHBondContact CG-OD1 3.43Å; R397-D462 IonicContact CZ-OD1 2.76Å; R397-D462 IonicContact NE-OD1 2.71Å; R397-D462 PolarHBondContact NE-OD1 2.89Å; R397-D462 IonicContact NH2-OD1 2.64Å
398	P	88.7	Confident	93.4	Very high	7 Å²	7	30.1 Å²	30.1	5%	0.045	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	140.3	173.4	28.6	-35.1	0	0	0	111.9	D400 V442 D447 D462	P398-D400 PolarHBondContact O-N 3.05Å; P398-V442 HydrophobicContact CG-CG1 4.09Å; P398-D447 WeakPolarHBondContact CB-OD2 3.22Å; P398-D462 HydrophobicContact CG-CB 4.04Å
399	G	85.3	Confident	93.8	Very high	62 Å²	62	34.7 Å²	34.7	64%	0.639	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-38.5	174.2	0	0	0	0	0	116
400	D	89.7	Confident	94.2	Very high	55 Å²	55	33.9 Å²	33.9	29%	0.294	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-6.1	176.2	82.2	-4.8	0	0	0	115	R397 P398 K402	R397-D400 WeakPolarHBondContact CD-OD1 3.36Å; R397-D400 WeakPolarHBondContact CG-OD1 3.41Å; R397-D400 IonicContact NH1-OD2 2.69Å; P398-D400 PolarHBondContact O-N 3.05Å; D400-K402 HydrophobicContact CB-CG 4.44Å; D400-K402 PolarHBondContact O-N 3.1Å; D400-K402 VanDerWaalsContact O-N 3.07Å; D400-K402 WeakPolarHBondContact OD1-CB 3.29Å; D400-K402 PolarHBondContact OD1-N 2.83Å; D400-K402 VanDerWaalsContact OD1-N 3.16Å; D400-K402 WeakPolarHBondContact OD2-CD 3.38Å
401	H	90.3	Very high	94.3	Very high	107 Å²	107	33.7 Å²	33.7	50%	0.495	18%	0.179	S	C	.	.			trans	54.2	24.8	177	-61.5	-79.2	0	0	0	114.3	E396 R397	E396-H401 IonicContact OE1-CE1 3.57Å; E396-H401 IonicContact OE1-CG 2.68Å; E396-H401 IonicContact OE1-ND1 3.72Å; E396-H401 PolarHBondContact OE1-ND1 2.91Å; R397-H401 PolarHBondContact O-N 2.89Å
402	K	93.8	Very high	94.4	Very high	52 Å²	52	34.2 Å²	34.2	23%	0.226	18%	0.181	C	C	.	.			trans	-83.4	141	172.8	-63.3	-171.4	-170.2	-174.3	0	110.2	R397 D400 V413 F414 E420	R397-K402 PolarHBondContact N-O 3.19Å; D400-K402 HydrophobicContact CB-CG 4.44Å; D400-K402 PolarHBondContact O-N 3.1Å; D400-K402 VanDerWaalsContact O-N 3.07Å; D400-K402 WeakPolarHBondContact OD1-CB 3.29Å; D400-K402 PolarHBondContact OD1-N 2.83Å; D400-K402 VanDerWaalsContact OD1-N 3.16Å; D400-K402 WeakPolarHBondContact OD2-CD 3.38Å; K402-V413 HydrophobicContact CB-CG1 3.73Å; K402-V413 HydrophobicContact CD-CG1 3.73Å; K402-V413 HydrophobicContact CG-CG1 4.33Å; K402-F414 WeakPolarHBondContact CA-O 3.49Å; K402-F414 WeakPolarHBondContact CB-O 3.4Å; K402-E420 IonicContact NZ-OE2 3.5Å; K402-E420 PolarHBondContact NZ-OE2 3.28Å
403	I	96.2	Very high	94.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134	178.9	-55.1	90.6	0	0	0	108.6	I348 W381 V394 Y395 F405 V413 F414	I348-I403 HydrophobicContact CD1-CG1 4.3Å; I348-I403 HydrophobicContact CD1-CG2 3.73Å; I348-I403 HydrophobicContact CG1-CG1 4.17Å; I348-I403 HydrophobicContact CG1-CG2 4.14Å; I348-I403 HydrophobicContact CG2-CD1 4.04Å; I348-I403 HydrophobicContact CG2-CG1 3.65Å; W381-I403 HydrophobicContact CH2-CB 4.39Å; W381-I403 HydrophobicContact CH2-CD1 4.18Å; W381-I403 HydrophobicContact CH2-CG1 4.11Å; W381-I403 HydrophobicContact CH2-CG2 4.3Å; W381-I403 HydrophobicContact CZ3-CB 4.29Å; W381-I403 HydrophobicContact CZ3-CD1 4.16Å; W381-I403 HydrophobicContact CZ3-CG1 4.32Å; W381-I403 HydrophobicContact CZ3-CG2 4.46Å; V394-I403 HydrophobicContact CG1-CG2 3.66Å; Y395-I403 CarbonylContact O-C 3.54Å; Y395-I403 WeakPolarHBondContact O-CA 3.46Å; I403-F405 HydrophobicContact CB-CE2 4.36Å; I403-F405 HydrophobicContact CG2-CD2 3.94Å; I403-F405 HydrophobicContact CG2-CE2 3.51Å; I403-F405 HydrophobicContact CG2-CZ 4.35Å; I403-V413 WeakPolarHBondContact O-CA 3.5Å; I403-F414 HydrophobicContact CB-CB 4.23Å; I403-F414 PolarHBondContact N-O 3.43Å; I403-F414 VanDerWaalsContact N-O 3.16Å; I403-F414 PolarHBondContact O-N 3.12Å
404	V	96.8	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.4	-176.8	-166.8	0	0	0	0	108.7	V394 Y395 R397 F406 Y411 W412 V413 F430	V394-V404 WeakPolarHBondContact CA-O 3.37Å; Y395-V404 HydrophobicContact CD1-CB 3.73Å; Y395-V404 HydrophobicContact CD1-CG1 4.43Å; Y395-V404 HydrophobicContact CD1-CG2 4.16Å; Y395-V404 HydrophobicContact CE1-CB 3.46Å; Y395-V404 VanDerWaalsContact CE1-CB 3.46Å; Y395-V404 HydrophobicContact CE1-CG1 3.85Å; Y395-V404 HydrophobicContact CE1-CG2 3.63Å; Y395-V404 PolarHBondContact N-O 2.76Å; Y395-V404 PolarHBondContact O-N 2.85Å; R397-V404 HydrophobicContact CB-CG2 4.35Å; V404-F406 HydrophobicContact CB-CE2 4.26Å; V404-F406 HydrophobicContact CG1-CD2 4.47Å; V404-F406 HydrophobicContact CG1-CE1 4.49Å; V404-F406 HydrophobicContact CG1-CE2 3.67Å; V404-F406 HydrophobicContact CG1-CZ 3.67Å; V404-Y411 HydrophobicContact CG1-CD2 3.78Å; V404-W412 WeakPolarHBondContact CA-O 3.42Å; V404-V413 HydrophobicContact CG1-CG2 4.32Å; V404-V413 HydrophobicContact CG2-CG2 4.41Å; V404-F430 HydrophobicContact CG1-CZ 4.31Å
405	F	97.4	Very high	93.8	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.1	179.3	-81	-98.7	0	0	0	110.1	F355 I377 W381 L384 V391 V394 I403 Y411 W412 F414	F355-F405 HydrophobicContact CD1-CE1 4.49Å; F355-F405 AromaticContact CE1-CE1 3.7Å; F355-F405 HydrophobicContact CE1-CE1 3.7Å; F355-F405 HydrophobicContact CE1-CZ 4.07Å; F355-F405 AromaticContact CZ-CE1 3.72Å; F355-F405 HydrophobicContact CZ-CE1 3.72Å; F355-F405 AromaticContact CZ-CZ 3.82Å; F355-F405 HydrophobicContact CZ-CZ 3.82Å; I377-F405 HydrophobicContact CD1-CE1 4.22Å; W381-F405 AromaticContact CD1-CZ 3.98Å; W381-F405 AromaticContact CD2-CE2 3.74Å; W381-F405 HydrophobicContact CD2-CE2 3.74Å; W381-F405 AromaticContact CD2-CZ 3.52Å; W381-F405 HydrophobicContact CD2-CZ 3.52Å; W381-F405 AromaticContact CE2-CZ 3.52Å; W381-F405 AromaticContact CE3-CE2 3.69Å; W381-F405 HydrophobicContact CE3-CE2 3.69Å; W381-F405 AromaticContact CE3-CZ 3.99Å; W381-F405 HydrophobicContact CE3-CZ 3.99Å; W381-F405 HydrophobicContact CG-CE2 4.31Å; W381-F405 AromaticContact CG-CZ 3.83Å; W381-F405 HydrophobicContact CG-CZ 3.83Å; W381-F405 HydrophobicContact CH2-CE2 4.3Å; W381-F405 HydrophobicContact CH2-CZ 4.44Å; W381-F405 HydrophobicContact CZ2-CE2 4.33Å; W381-F405 HydrophobicContact CZ2-CZ 4.02Å; W381-F405 AromaticContact CZ3-CE2 3.99Å; W381-F405 HydrophobicContact CZ3-CE2 3.99Å; W381-F405 HydrophobicContact CZ3-CZ 4.43Å; W381-F405 AromaticContact NE1-CZ 3.78Å; L384-F405 HydrophobicContact CD2-CB 4.47Å; V391-F405 HydrophobicContact CG1-CD1 3.78Å; V391-F405 HydrophobicContact CG1-CE1 4.27Å; V394-F405 HydrophobicContact CB-CD1 4.43Å; V394-F405 HydrophobicContact CB-CE1 4.45Å; V394-F405 HydrophobicContact CG1-CD1 4.12Å; V394-F405 HydrophobicContact CG1-CD2 4.14Å; V394-F405 HydrophobicContact CG1-CE1 3.95Å; V394-F405 HydrophobicContact CG1-CE2 3.98Å; V394-F405 HydrophobicContact CG1-CG 4.21Å; V394-F405 HydrophobicContact CG1-CZ 3.87Å; V394-F405 HydrophobicContact CG2-CD1 3.41Å; V394-F405 VanDerWaalsContact CG2-CD1 3.41Å; V394-F405 HydrophobicContact CG2-CE1 3.55Å; V394-F405 HydrophobicContact CG2-CG 4.09Å; V394-F405 HydrophobicContact CG2-CZ 4.32Å; I403-F405 HydrophobicContact CB-CE2 4.36Å; I403-F405 HydrophobicContact CG2-CD2 3.94Å; I403-F405 HydrophobicContact CG2-CE2 3.51Å; I403-F405 HydrophobicContact CG2-CZ 4.35Å; F405-Y411 CarbonylContact O-C 3.55Å; F405-Y411 WeakPolarHBondContact O-CA 3.12Å; F405-Y411 WeakPolarHBondContact O-CB 3.11Å; F405-W412 HydrophobicContact CB-CB 4.37Å; F405-W412 PolarHBondContact N-O 2.82Å; F405-W412 PolarHBondContact O-N 3.48Å; F405-F414 AromaticContact CD2-CD2 3.5Å; F405-F414 HydrophobicContact CD2-CD2 3.5Å; F405-F414 VanDerWaalsContact CD2-CD2 3.5Å; F405-F414 AromaticContact CD2-CE2 3.73Å; F405-F414 HydrophobicContact CD2-CE2 3.73Å; F405-F414 HydrophobicContact CD2-CG 4.33Å; F405-F414 AromaticContact CE2-CD2 3.97Å; F405-F414 HydrophobicContact CE2-CD2 3.97Å; F405-F414 HydrophobicContact CE2-CE2 4.29Å; F405-F414 HydrophobicContact CE2-CG 4.39Å; F405-F414 HydrophobicContact CG-CD2 4.43Å; F405-F414 HydrophobicContact CG-CE2 4.3Å
406	F	97	Very high	93.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139.3	175.5	-65	-86.2	0	0	0	111.7	D392 A393 Y395 V404 Y411 I427 F430 V437 V440 F451	D392-F406 PolarHBondContact N-O 2.91Å; A393-F406 HydrophobicContact CB-CB 4.42Å; A393-F406 HydrophobicContact CB-CD2 4.35Å; A393-F406 PolarHBondContact O-N 3.3Å; Y395-F406 AromaticContact CD1-CE2 3.85Å; Y395-F406 HydrophobicContact CD1-CE2 3.85Å; Y395-F406 AromaticContact CE1-CE2 3.72Å; Y395-F406 HydrophobicContact CE1-CE2 3.72Å; Y395-F406 HydrophobicContact CE1-CZ 4.05Å; V404-F406 HydrophobicContact CB-CE2 4.26Å; V404-F406 HydrophobicContact CG1-CD2 4.47Å; V404-F406 HydrophobicContact CG1-CE1 4.49Å; V404-F406 HydrophobicContact CG1-CE2 3.67Å; V404-F406 HydrophobicContact CG1-CZ 3.67Å; F406-Y411 HydrophobicContact CE1-CG 4.16Å; F406-I427 HydrophobicContact CD1-CG2 3.65Å; F406-I427 HydrophobicContact CE1-CG2 3.93Å; F406-F430 HydrophobicContact CE1-CD2 4.26Å; F406-F430 AromaticContact CE1-CE2 3.74Å; F406-F430 HydrophobicContact CE1-CE2 3.74Å; F406-F430 HydrophobicContact CE1-CZ 4.21Å; F406-F430 HydrophobicContact CZ-CE1 4.49Å; F406-F430 AromaticContact CZ-CE2 3.84Å; F406-F430 HydrophobicContact CZ-CE2 3.84Å; F406-F430 AromaticContact CZ-CZ 3.81Å; F406-F430 HydrophobicContact CZ-CZ 3.81Å; F406-V437 HydrophobicContact CB-CG2 3.92Å; F406-V437 HydrophobicContact CD1-CG2 4.22Å; F406-V437 HydrophobicContact CD2-CG2 4.33Å; F406-V437 HydrophobicContact CG-CG2 3.89Å; F406-V440 HydrophobicContact CD2-CG1 3.99Å; F406-V440 HydrophobicContact CE2-CG1 3.97Å; F406-F451 HydrophobicContact CE1-CE1 4.14Å; F406-F451 AromaticContact CE2-CE1 3.97Å; F406-F451 HydrophobicContact CE2-CE1 3.97Å; F406-F451 AromaticContact CZ-CE1 3.57Å; F406-F451 HydrophobicContact CZ-CE1 3.57Å; F406-F451 HydrophobicContact CZ-CZ 4.14Å
407	K	95.5	Very high	92.5	Very high	61 Å²	61	41.5 Å²	41.5	27%	0.265	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	112.3	165.4	-173.2	54.4	167.5	-173.7	0	110.8	L388 S390 D392 K410 W412	L388-K407 HydrophobicContact CD1-CB 4.17Å; L388-K407 HydrophobicContact CD1-CG 3.82Å; S390-K407 WeakPolarHBondContact O-CD 3.48Å; S390-K407 WeakPolarHBondContact O-CE 3.31Å; S390-K407 PolarHBondContact O-NZ 2.88Å; S390-K407 PolarHBondContact OG-NZ 3.07Å; D392-K407 VanDerWaalsContact CG-CD 3.49Å; D392-K407 WeakPolarHBondContact OD1-CD 3.46Å; D392-K407 WeakPolarHBondContact OD1-CE 3.25Å; D392-K407 IonicContact OD1-NZ 2.75Å; D392-K407 PolarHBondContact OD1-NZ 2.85Å; D392-K407 WeakPolarHBondContact OD2-CA 3.33Å; D392-K407 WeakPolarHBondContact OD2-CD 3.42Å; K407-K410 PolarHBondContact N-O 3.4Å; K407-K410 PolarHBondContact O-N 3.24Å; K407-W412 HydrophobicContact CB-CH2 4.17Å; K407-W412 HydrophobicContact CB-CZ3 3.78Å
408	G	94	Very high	92.1	Very high	24 Å²	24	44 Å²	44	25%	0.247	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	-136.4	-171	0	0	0	0	0	111.2	D392 K410 E435	D392-G408 PolarHBondContact OD2-N 3.29Å; G408-K410 PolarHBondContact O-N 3.34Å; G408-E435 CarbonylContact C-O 3.55Å; G408-E435 WeakPolarHBondContact CA-O 3.38Å
409	Q	94.6	Very high	92.2	Very high	111 Å²	111	45.8 Å²	45.8	52%	0.519	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	6.1	-177.8	-61	-178.6	20	0	0	113.9	P426 I427 E435	Q409-P426 CarbonylContact O-C 2.95Å; Q409-P426 VanDerWaalsContact O-CA 3.26Å; Q409-P426 WeakPolarHBondContact O-CA 3.36Å; Q409-I427 PolarHBondContact O-N 2.73Å; Q409-E435 WeakPolarHBondContact CA-O 3.38Å; Q409-E435 HydrophobicContact CG-CB 4Å; Q409-E435 HydrophobicContact CG-CG 4.46Å; Q409-E435 WeakPolarHBondContact CG-O 3.47Å; Q409-E435 PolarHBondContact N-O 2.99Å; Q409-E435 PolarHBondContact NE2-OE2 3.06Å
410	K	95.6	Very high	92.6	Very high	116 Å²	116	45.6 Å²	45.6	50%	0.504	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.6	-173.4	-69.8	178.7	-178.1	176	0	113.1	K407 G408 W412 P424 R425	K407-K410 PolarHBondContact N-O 3.4Å; K407-K410 PolarHBondContact O-N 3.24Å; G408-K410 PolarHBondContact O-N 3.34Å; K410-W412 HydrophobicContact CB-CH2 3.7Å; K410-W412 HydrophobicContact CB-CZ3 3.73Å; K410-W412 HydrophobicContact CD-CH2 4.35Å; K410-P424 HydrophobicContact CB-CB 4.17Å; K410-P424 HydrophobicContact CD-CB 4.21Å; K410-P424 HydrophobicContact CD-CG 4.18Å; K410-P424 HydrophobicContact CG-CB 4.44Å; K410-R425 CarbonylContact C-O 3Å; K410-R425 VanDerWaalsContact CA-O 3.28Å; K410-R425 WeakPolarHBondContact CA-O 3.41Å
411	Y	96.9	Very high	92.7	Very high	15 Å²	15	52.2 Å²	52.2	6%	0.059	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.8	169.3	79.3	-78.3	0	0	0	112.8	V404 F405 F406 V413 Y423 P424 R425 P426 I427 D429 F430	V404-Y411 HydrophobicContact CG1-CD2 3.78Å; F405-Y411 CarbonylContact O-C 3.55Å; F405-Y411 WeakPolarHBondContact O-CA 3.12Å; F405-Y411 WeakPolarHBondContact O-CB 3.11Å; F406-Y411 HydrophobicContact CE1-CG 4.16Å; Y411-V413 HydrophobicContact CD2-CG2 3.92Å; Y411-V413 HydrophobicContact CE2-CG2 3.66Å; Y411-Y423 HydrophobicContact CD2-CD1 4.5Å; Y411-Y423 HydrophobicContact CD2-CE1 4.19Å; Y411-Y423 HydrophobicContact CE2-CD1 4.24Å; Y411-Y423 AromaticContact CE2-CE1 3.54Å; Y411-Y423 HydrophobicContact CE2-CE1 3.54Å; Y411-Y423 AromaticContact CZ-CE1 3.9Å; Y411-P424 CarbonylContact O-C 3.55Å; Y411-P424 VanDerWaalsContact O-CA 3.24Å; Y411-P424 WeakPolarHBondContact O-CA 3.29Å; Y411-P424 WeakPolarHBondContact O-CB 3.22Å; Y411-R425 HydrophobicContact CD1-CB 3.94Å; Y411-R425 VanDerWaalsContact CD1-O 3.22Å; Y411-R425 WeakPolarHBondContact CD1-O 3.25Å; Y411-R425 HydrophobicContact CE1-CB 3.32Å; Y411-R425 PolarHBondContact N-O 2.87Å; Y411-R425 PolarHBondContact O-N 3.4Å; Y411-P426 WeakPolarHBondContact CE1-O 3.09Å; Y411-I427 HydrophobicContact CD1-CG2 4.3Å; Y411-D429 HydrophobicContact CE1-CB 3.99Å; Y411-F430 HydrophobicContact CD1-CD2 4.38Å; Y411-F430 AromaticContact CD1-CE2 3.77Å; Y411-F430 HydrophobicContact CD1-CE2 3.77Å; Y411-F430 AromaticContact CD2-CE2 3.76Å; Y411-F430 HydrophobicContact CD2-CE2 3.76Å; Y411-F430 HydrophobicContact CD2-CZ 4.13Å; Y411-F430 HydrophobicContact CE1-CD2 4.24Å; Y411-F430 AromaticContact CE1-CE2 3.73Å; Y411-F430 HydrophobicContact CE1-CE2 3.73Å; Y411-F430 AromaticContact CE2-CE2 3.68Å; Y411-F430 HydrophobicContact CE2-CE2 3.68Å; Y411-F430 AromaticContact CE2-CZ 3.96Å; Y411-F430 HydrophobicContact CE2-CZ 3.96Å; Y411-F430 AromaticContact CG-CE2 3.79Å; Y411-F430 HydrophobicContact CG-CE2 3.79Å; Y411-F430 AromaticContact CZ-CE2 3.68Å
412	W	97.4	Very high	92.7	Very high	15 Å²	15	49.4 Å²	49.4	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.3	176.5	-64.7	-111.5	0	0	0	108.6	L384 P385 V404 F405 K407 K410 F414 V419 P424	L384-W412 HydrophobicContact CD2-CB 4.36Å; L384-W412 HydrophobicContact CD2-CD2 4.22Å; L384-W412 HydrophobicContact CD2-CG 4.02Å; P385-W412 HydrophobicContact CG-CH2 4.41Å; P385-W412 HydrophobicContact CG-CZ2 3.5Å; P385-W412 VanDerWaalsContact CG-CZ2 3.5Å; V404-W412 WeakPolarHBondContact CA-O 3.42Å; F405-W412 HydrophobicContact CB-CB 4.37Å; F405-W412 PolarHBondContact N-O 2.82Å; F405-W412 PolarHBondContact O-N 3.48Å; K407-W412 HydrophobicContact CB-CH2 4.17Å; K407-W412 HydrophobicContact CB-CZ3 3.78Å; K410-W412 HydrophobicContact CB-CH2 3.7Å; K410-W412 HydrophobicContact CB-CZ3 3.73Å; K410-W412 HydrophobicContact CD-CH2 4.35Å; W412-F414 HydrophobicContact CB-CD2 4.29Å; W412-F414 HydrophobicContact CB-CE2 3.67Å; W412-F414 HydrophobicContact CG-CE2 4.48Å; W412-V419 HydrophobicContact CB-CG2 4.23Å; W412-P424 HydrophobicContact CD2-CB 3.9Å; W412-P424 HydrophobicContact CE3-CB 4.44Å; W412-P424 HydrophobicContact CG-CB 4.29Å; W412-P424 HydrophobicContact CH2-CB 4.26Å; W412-P424 HydrophobicContact CZ2-CB 3.73Å; W412-P424 HydrophobicContact CZ2-CG 3.86Å
413	V	97.3	Very high	92.7	Very high	1 Å²	1	50 Å²	50	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.4	172.8	178.8	0	0	0	0	109.1	K402 I403 V404 Y411 E420 Y423	K402-V413 HydrophobicContact CB-CG1 3.73Å; K402-V413 HydrophobicContact CD-CG1 3.73Å; K402-V413 HydrophobicContact CG-CG1 4.33Å; I403-V413 WeakPolarHBondContact O-CA 3.5Å; V404-V413 HydrophobicContact CG1-CG2 4.32Å; V404-V413 HydrophobicContact CG2-CG2 4.41Å; Y411-V413 HydrophobicContact CD2-CG2 3.92Å; Y411-V413 HydrophobicContact CE2-CG2 3.66Å; V413-E420 PolarHBondContact O-N 2.86Å; V413-Y423 HydrophobicContact CB-CD1 4.3Å; V413-Y423 HydrophobicContact CB-CD2 4.28Å; V413-Y423 HydrophobicContact CB-CE1 3.86Å; V413-Y423 HydrophobicContact CB-CE2 3.85Å; V413-Y423 HydrophobicContact CB-CG 4.49Å; V413-Y423 HydrophobicContact CG2-CD1 4.14Å; V413-Y423 HydrophobicContact CG2-CE1 3.44Å; V413-Y423 VanDerWaalsContact CG2-CE1 3.44Å; V413-Y423 HydrophobicContact CG2-CE2 4.27Å
414	F	92.8	Very high	92.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.2	-177.5	-78.4	-100.4	0	0	0	110.8	W381 R382 L384 K402 I403 F405 W412 N418 V419	W381-F414 HydrophobicContact CB-CE1 4.06Å; W381-F414 HydrophobicContact CB-CZ 4.38Å; W381-F414 HydrophobicContact CE3-CB 4.42Å; W381-F414 AromaticContact CE3-CD1 3.71Å; W381-F414 HydrophobicContact CE3-CD1 3.71Å; W381-F414 HydrophobicContact CE3-CE1 4.23Å; W381-F414 HydrophobicContact CE3-CG 4.03Å; W381-F414 HydrophobicContact CZ3-CB 4.3Å; W381-F414 HydrophobicContact CZ3-CD1 4.36Å; W381-F414 HydrophobicContact CZ3-CG 4.38Å; R382-F414 WeakPolarHBondContact O-CE1 3.39Å; L384-F414 HydrophobicContact CD2-CE2 3.68Å; L384-F414 HydrophobicContact CD2-CZ 3.63Å; L384-F414 HydrophobicContact CG-CE2 4.23Å; L384-F414 HydrophobicContact CG-CZ 3.69Å; K402-F414 WeakPolarHBondContact CA-O 3.49Å; K402-F414 WeakPolarHBondContact CB-O 3.4Å; I403-F414 HydrophobicContact CB-CB 4.23Å; I403-F414 PolarHBondContact N-O 3.43Å; I403-F414 VanDerWaalsContact N-O 3.16Å; I403-F414 PolarHBondContact O-N 3.12Å; F405-F414 AromaticContact CD2-CD2 3.5Å; F405-F414 HydrophobicContact CD2-CD2 3.5Å; F405-F414 VanDerWaalsContact CD2-CD2 3.5Å; F405-F414 AromaticContact CD2-CE2 3.73Å; F405-F414 HydrophobicContact CD2-CE2 3.73Å; F405-F414 HydrophobicContact CD2-CG 4.33Å; F405-F414 AromaticContact CE2-CD2 3.97Å; F405-F414 HydrophobicContact CE2-CD2 3.97Å; F405-F414 HydrophobicContact CE2-CE2 4.29Å; F405-F414 HydrophobicContact CE2-CG 4.39Å; F405-F414 HydrophobicContact CG-CD2 4.43Å; F405-F414 HydrophobicContact CG-CE2 4.3Å; W412-F414 HydrophobicContact CB-CD2 4.29Å; W412-F414 HydrophobicContact CB-CE2 3.67Å; W412-F414 HydrophobicContact CG-CE2 4.48Å; F414-N418 WeakPolarHBondContact CA-O 3.31Å; F414-N418 WeakPolarHBondContact CD1-O 3.42Å; F414-V419 HydrophobicContact CD1-CB 4.5Å; F414-V419 HydrophobicContact CE1-CB 3.99Å; F414-V419 VanDerWaalsContact CE1-N 3.34Å; F414-V419 HydrophobicContact CE2-CB 4.36Å; F414-V419 HydrophobicContact CE2-CG2 4.3Å; F414-V419 HydrophobicContact CZ-CB 3.88Å; F414-V419 HydrophobicContact CZ-CG2 4.27Å
415	K	87.1	Confident	92.7	Very high	115 Å²	115	58 Å²	58	50%	0.5	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.1	163	-177.9	-169.6	170.4	-167.8	0	107.4	N417 N418 E420	K415-N417 PolarHBondContact O-N 2.87Å; K415-N418 PolarHBondContact N-O 2.84Å; K415-N418 PolarHBondContact O-N 3.24Å; K415-E420 HydrophobicContact CB-CG 3.83Å; K415-E420 VanDerWaalsContact CB-OE1 3.25Å; K415-E420 WeakPolarHBondContact CB-OE1 3.49Å; K415-E420 WeakPolarHBondContact CD-OE1 3.22Å
416	D	82.3	Confident	92.6	Very high	64 Å²	64	60.9 Å²	60.9	34%	0.342	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-123.5	-166.5	-51.9	-65.2	0	0	0	108.9	R349 W381	R349-D416 IonicContact CZ-OD1 2.78Å; R349-D416 IonicContact NH1-OD1 3.39Å; R349-D416 PolarHBondContact NH1-OD1 3.19Å; R349-D416 IonicContact NH2-OD1 3.52Å; R349-D416 PolarHBondContact NH2-OD1 2.82Å; W381-D416 WeakPolarHBondContact CZ3-O 3.43Å
417	N	81.3	Confident	92.6	Very high	42 Å²	42	61 Å²	61	23%	0.225	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5	-176.2	-80.1	50.1	0	0	0	114.4	F380 R382 K415	F380-N417 WeakPolarHBondContact CD1-ND2 3.45Å; F380-N417 WeakPolarHBondContact CE1-ND2 3.35Å; F380-N417 WeakPolarHBondContact CG-ND2 3.38Å; F380-N417 VanDerWaalsContact CZ-ND2 3.34Å; F380-N417 WeakPolarHBondContact CZ-ND2 3.17Å; F380-N417 VanDerWaalsContact O-CB 3.28Å; F380-N417 WeakPolarHBondContact O-CB 3.3Å; F380-N417 PolarHBondContact O-ND2 3.34Å; R382-N417 PolarHBondContact N-O 2.8Å; K415-N417 PolarHBondContact O-N 2.87Å
418	N	83.6	Confident	92.4	Very high	72 Å²	72	61.5 Å²	61.5	39%	0.385	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.7	-174.8	-42.3	-78.3	0	0	0	111	R382 F414 K415	R382-N418 PolarHBondContact NH1-OD1 3.28Å; R382-N418 VanDerWaalsContact NH1-OD1 3.1Å; F414-N418 WeakPolarHBondContact CA-O 3.31Å; F414-N418 WeakPolarHBondContact CD1-O 3.42Å; K415-N418 PolarHBondContact N-O 2.84Å; K415-N418 PolarHBondContact O-N 3.24Å
419	V	91.3	Very high	92.4	Very high	45 Å²	45	63.8 Å²	63.8	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.5	173.6	75.4	0	0	0	0	110.4	R382 W412 F414	R382-V419 PolarHBondContact O-N 3.19Å; W412-V419 HydrophobicContact CB-CG2 4.23Å; F414-V419 HydrophobicContact CD1-CB 4.5Å; F414-V419 HydrophobicContact CE1-CB 3.99Å; F414-V419 VanDerWaalsContact CE1-N 3.34Å; F414-V419 HydrophobicContact CE2-CB 4.36Å; F414-V419 HydrophobicContact CE2-CG2 4.3Å; F414-V419 HydrophobicContact CZ-CB 3.88Å; F414-V419 HydrophobicContact CZ-CG2 4.27Å
420	E	94.4	Very high	92.3	Very high	58 Å²	58	58.8 Å²	58.8	27%	0.271	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-76.3	158.6	171.7	-65.7	-115.6	114.1	0	0	111.5	K402 V413 K415 Y423	K402-E420 IonicContact NZ-OE2 3.5Å; K402-E420 PolarHBondContact NZ-OE2 3.28Å; V413-E420 PolarHBondContact O-N 2.86Å; K415-E420 HydrophobicContact CB-CG 3.83Å; K415-E420 VanDerWaalsContact CB-OE1 3.25Å; K415-E420 WeakPolarHBondContact CB-OE1 3.49Å; K415-E420 WeakPolarHBondContact CD-OE1 3.22Å; E420-Y423 HydrophobicContact CB-CD2 3.98Å; E420-Y423 HydrophobicContact CB-CE2 4.02Å; E420-Y423 WeakPolarHBondContact O-CD2 3.37Å
421	E	91.6	Very high	92	Very high	193 Å²	193	55.7 Å²	55.7	90%	0.902	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	144.8	178.6	-167.5	178.1	174.2	0	0	111.8
422	G	89.4	Confident	91.7	Very high	49 Å²	49	55.4 Å²	55.4	51%	0.505	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	27.1	179.1	0	0	0	0	0	114.9	R425	G422-R425 WeakPolarHBondContact O-CG 3.27Å; G422-R425 PolarHBondContact O-NE 3.38Å
423	Y	94.4	Very high	91.1	Very high	64 Å²	64	59.5 Å²	59.5	25%	0.251	34%	0.335	S	S	.	.			trans	-121.8	155.4	169.2	-69.7	-83.2	0	0	0	110.8	Y411 V413 E420 R425	Y411-Y423 HydrophobicContact CD2-CD1 4.5Å; Y411-Y423 HydrophobicContact CD2-CE1 4.19Å; Y411-Y423 HydrophobicContact CE2-CD1 4.24Å; Y411-Y423 AromaticContact CE2-CE1 3.54Å; Y411-Y423 HydrophobicContact CE2-CE1 3.54Å; Y411-Y423 AromaticContact CZ-CE1 3.9Å; V413-Y423 HydrophobicContact CB-CD1 4.3Å; V413-Y423 HydrophobicContact CB-CD2 4.28Å; V413-Y423 HydrophobicContact CB-CE1 3.86Å; V413-Y423 HydrophobicContact CB-CE2 3.85Å; V413-Y423 HydrophobicContact CB-CG 4.49Å; V413-Y423 HydrophobicContact CG2-CD1 4.14Å; V413-Y423 HydrophobicContact CG2-CE1 3.44Å; V413-Y423 VanDerWaalsContact CG2-CE1 3.44Å; V413-Y423 HydrophobicContact CG2-CE2 4.27Å; E420-Y423 HydrophobicContact CB-CD2 3.98Å; E420-Y423 HydrophobicContact CB-CE2 4.02Å; E420-Y423 WeakPolarHBondContact O-CD2 3.37Å; Y423-R425 HydrophobicContact CD1-CB 4.07Å; Y423-R425 HydrophobicContact CD1-CG 3.81Å; Y423-R425 HydrophobicContact CE1-CB 4.2Å; Y423-R425 HydrophobicContact CE1-CG 3.92Å
424	P	96.2	Very high	90.7	Very high	59 Å²	59	61 Å²	61	38%	0.383	34%	0.344	S	S	.	.			cis	-69.7	158.9	1.8	25.3	-32.7	0	0	0	115.1	K410 Y411 W412	K410-P424 HydrophobicContact CB-CB 4.17Å; K410-P424 HydrophobicContact CD-CB 4.21Å; K410-P424 HydrophobicContact CD-CG 4.18Å; K410-P424 HydrophobicContact CG-CB 4.44Å; Y411-P424 CarbonylContact O-C 3.55Å; Y411-P424 VanDerWaalsContact O-CA 3.24Å; Y411-P424 WeakPolarHBondContact O-CA 3.29Å; Y411-P424 WeakPolarHBondContact O-CB 3.22Å; W412-P424 HydrophobicContact CD2-CB 3.9Å; W412-P424 HydrophobicContact CE3-CB 4.44Å; W412-P424 HydrophobicContact CG-CB 4.29Å; W412-P424 HydrophobicContact CH2-CB 4.26Å; W412-P424 HydrophobicContact CZ2-CB 3.73Å; W412-P424 HydrophobicContact CZ2-CG 3.86Å
425	R	96.2	Very high	90.5	Very high	111 Å²	111	67.8 Å²	67.8	42%	0.419	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	160.3	175.4	-75.5	-173.8	174.3	-126.5	-0.7	111.1	K410 Y411 G422 Y423 D429	K410-R425 CarbonylContact C-O 3Å; K410-R425 VanDerWaalsContact CA-O 3.28Å; K410-R425 WeakPolarHBondContact CA-O 3.41Å; Y411-R425 HydrophobicContact CD1-CB 3.94Å; Y411-R425 VanDerWaalsContact CD1-O 3.22Å; Y411-R425 WeakPolarHBondContact CD1-O 3.25Å; Y411-R425 HydrophobicContact CE1-CB 3.32Å; Y411-R425 PolarHBondContact N-O 2.87Å; Y411-R425 PolarHBondContact O-N 3.4Å; G422-R425 WeakPolarHBondContact O-CG 3.27Å; G422-R425 PolarHBondContact O-NE 3.38Å; Y423-R425 HydrophobicContact CD1-CB 4.07Å; Y423-R425 HydrophobicContact CD1-CG 3.81Å; Y423-R425 HydrophobicContact CE1-CB 4.2Å; Y423-R425 HydrophobicContact CE1-CG 3.92Å; R425-D429 IonicContact NH1-OD2 3.23Å
426	P	96.3	Very high	90.7	Very high	61 Å²	61	63.4 Å²	63.4	40%	0.396	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.2	-178.9	33.4	-34.7	0	0	0	111.6	Q409 Y411 S428 D429	Q409-P426 CarbonylContact O-C 2.95Å; Q409-P426 VanDerWaalsContact O-CA 3.26Å; Q409-P426 WeakPolarHBondContact O-CA 3.36Å; Y411-P426 WeakPolarHBondContact CE1-O 3.09Å; P426-S428 WeakPolarHBondContact CB-OG 3.28Å; P426-S428 WeakPolarHBondContact CG-OG 3.23Å; P426-S428 PolarHBondContact O-N 3.07Å; P426-S428 VanDerWaalsContact O-N 3.07Å; P426-D429 WeakPolarHBondContact O-CB 3.15Å; P426-D429 PolarHBondContact O-N 3.44Å
427	I	95.6	Very high	91.3	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-65.9	-12.6	-179	64.9	177.5	0	0	0	113.8	F406 Q409 Y411 D429 F430 V434	F406-I427 HydrophobicContact CD1-CG2 3.65Å; F406-I427 HydrophobicContact CE1-CG2 3.93Å; Q409-I427 PolarHBondContact O-N 2.73Å; Y411-I427 HydrophobicContact CD1-CG2 4.3Å; I427-D429 PolarHBondContact O-N 3.22Å; I427-F430 PolarHBondContact O-N 2.93Å; I427-F430 VanDerWaalsContact O-N 3.11Å; I427-V434 HydrophobicContact CD1-CG2 4.44Å; I427-V434 WeakPolarHBondContact CD1-O 3.33Å
428	S	93	Very high	92	Very high	73 Å²	73	60.2 Å²	60.2	51%	0.51	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-57.4	-22.8	167.1	56.4	0	0	0	0	113.8	P426 F430 G431	P426-S428 WeakPolarHBondContact CB-OG 3.28Å; P426-S428 WeakPolarHBondContact CG-OG 3.23Å; P426-S428 PolarHBondContact O-N 3.07Å; P426-S428 VanDerWaalsContact O-N 3.07Å; S428-F430 PolarHBondContact O-N 3.29Å; S428-G431 PolarHBondContact O-N 2.98Å
429	D	93.9	Very high	92.6	Very high	72 Å²	72	56.8 Å²	56.8	39%	0.385	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-61.2	-21.5	174.9	-75.4	18	0	0	0	112	Y411 R425 P426 I427	Y411-D429 HydrophobicContact CE1-CB 3.99Å; R425-D429 IonicContact NH1-OD2 3.23Å; P426-D429 WeakPolarHBondContact O-CB 3.15Å; P426-D429 PolarHBondContact O-N 3.44Å; I427-D429 PolarHBondContact O-N 3.22Å
430	F	92.1	Very high	92.8	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.026	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-86.6	-6.9	172.4	-67.3	-93.9	0	0	0	113.7	V404 F406 Y411 I427 S428 L432 F451 Y460 M467	V404-F430 HydrophobicContact CG1-CZ 4.31Å; F406-F430 HydrophobicContact CE1-CD2 4.26Å; F406-F430 AromaticContact CE1-CE2 3.74Å; F406-F430 HydrophobicContact CE1-CE2 3.74Å; F406-F430 HydrophobicContact CE1-CZ 4.21Å; F406-F430 HydrophobicContact CZ-CE1 4.49Å; F406-F430 AromaticContact CZ-CE2 3.84Å; F406-F430 HydrophobicContact CZ-CE2 3.84Å; F406-F430 AromaticContact CZ-CZ 3.81Å; F406-F430 HydrophobicContact CZ-CZ 3.81Å; Y411-F430 HydrophobicContact CD1-CD2 4.38Å; Y411-F430 AromaticContact CD1-CE2 3.77Å; Y411-F430 HydrophobicContact CD1-CE2 3.77Å; Y411-F430 AromaticContact CD2-CE2 3.76Å; Y411-F430 HydrophobicContact CD2-CE2 3.76Å; Y411-F430 HydrophobicContact CD2-CZ 4.13Å; Y411-F430 HydrophobicContact CE1-CD2 4.24Å; Y411-F430 AromaticContact CE1-CE2 3.73Å; Y411-F430 HydrophobicContact CE1-CE2 3.73Å; Y411-F430 AromaticContact CE2-CE2 3.68Å; Y411-F430 HydrophobicContact CE2-CE2 3.68Å; Y411-F430 AromaticContact CE2-CZ 3.96Å; Y411-F430 HydrophobicContact CE2-CZ 3.96Å; Y411-F430 AromaticContact CG-CE2 3.79Å; Y411-F430 HydrophobicContact CG-CE2 3.79Å; Y411-F430 AromaticContact CZ-CE2 3.68Å; I427-F430 PolarHBondContact O-N 2.93Å; I427-F430 VanDerWaalsContact O-N 3.11Å; S428-F430 PolarHBondContact O-N 3.29Å; F430-L432 HydrophobicContact CB-CD1 4.01Å; F430-L432 HydrophobicContact CB-CG 4.08Å; F430-F451 HydrophobicContact CD1-CE2 4.06Å; F430-F451 AromaticContact CD1-CZ 3.63Å; F430-F451 HydrophobicContact CD1-CZ 3.63Å; F430-F451 AromaticContact CE1-CZ 3.88Å; F430-F451 HydrophobicContact CE1-CZ 3.88Å; F430-F451 HydrophobicContact CG-CZ 4.13Å; F430-Y460 HydrophobicContact CB-CD2 4.38Å; F430-Y460 HydrophobicContact CB-CE2 4.11Å; F430-Y460 HydrophobicContact CD1-CD1 4.01Å; F430-Y460 HydrophobicContact CD1-CD2 4.21Å; F430-Y460 AromaticContact CD1-CE1 3.59Å; F430-Y460 HydrophobicContact CD1-CE1 3.59Å; F430-Y460 AromaticContact CD1-CE2 3.83Å; F430-Y460 HydrophobicContact CD1-CE2 3.83Å; F430-Y460 HydrophobicContact CD1-CG 4.3Å; F430-Y460 AromaticContact CD1-CZ 3.49Å; F430-Y460 VanDerWaalsContact CD1-CZ 3.49Å; F430-Y460 HydrophobicContact CE1-CD1 4.42Å; F430-Y460 AromaticContact CE1-CE1 3.88Å; F430-Y460 HydrophobicContact CE1-CE1 3.88Å; F430-Y460 HydrophobicContact CG-CE2 4.42Å; F430-Y460 WeakPolarHBondContact O-CE2 3.47Å; F430-M467 WeakPolarHBondContact O-CE 3.41Å
431	G	89.9	Confident	92.9	Very high	51 Å²	51	52 Å²	52	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	16.9	-170.1	0	0	0	0	0	114.4	S428	S428-G431 PolarHBondContact O-N 2.98Å
432	L	90	Very high	93	Very high	9 Å²	9	43 Å²	43	5%	0.047	26%	0.258	C	S	.	.			trans	-79.2	122.8	178.9	-76.8	169.6	0	0	0	111.4	F430 V434 V437 F451 W458 M467	F430-L432 HydrophobicContact CB-CD1 4.01Å; F430-L432 HydrophobicContact CB-CG 4.08Å; L432-V434 VanDerWaalsContact C-N 3.29Å; L432-V434 HydrophobicContact CB-CG2 4.14Å; L432-V434 PolarHBondContact O-N 2.84Å; L432-V437 HydrophobicContact CD1-CG1 3.98Å; L432-F451 HydrophobicContact CD1-CD1 3.86Å; L432-F451 HydrophobicContact CD1-CD2 4.16Å; L432-F451 HydrophobicContact CD1-CE1 3.98Å; L432-F451 HydrophobicContact CD1-CE2 4.29Å; L432-F451 HydrophobicContact CD1-CG 3.94Å; L432-F451 HydrophobicContact CD1-CZ 4.21Å; L432-F451 HydrophobicContact CD2-CB 4.16Å; L432-F451 HydrophobicContact CD2-CD2 4.3Å; L432-F451 HydrophobicContact CD2-CG 4.24Å; L432-W458 HydrophobicContact CD2-CB 4.08Å; L432-W458 HydrophobicContact CD2-CD2 4.03Å; L432-W458 HydrophobicContact CD2-CG 3.8Å; L432-M467 HydrophobicContact CD2-CE 3.54Å; L432-M467 HydrophobicContact CG-CE 3.77Å
433	P	84.9	Confident	93.2	Very high	101 Å²	101	41 Å²	41	66%	0.656	24%	0.235	S	C	*	.			trans	-93.1	41.1	-178.9	39.4	-36.8	0	0	0	112.3	W458	P433-W458 HydrophobicContact CG-CZ2 4.25Å
434	V	88.7	Confident	92.8	Very high	33 Å²	33	41.9 Å²	41.9	20%	0.2	24%	0.244	C	C	.	.	S	Bend	trans	-133.7	161	-173.5	-63.4	0	0	0	0	110.5	I427 L432 A436 V437 K453 W458	I427-V434 HydrophobicContact CD1-CG2 4.44Å; I427-V434 WeakPolarHBondContact CD1-O 3.33Å; L432-V434 VanDerWaalsContact C-N 3.29Å; L432-V434 HydrophobicContact CB-CG2 4.14Å; L432-V434 PolarHBondContact O-N 2.84Å; V434-A436 WeakPolarHBondContact CG2-O 3.48Å; V434-V437 HydrophobicContact CG2-CG1 4.38Å; V434-K453 HydrophobicContact CB-CG 4.27Å; V434-K453 HydrophobicContact CG1-CB 4.39Å; V434-K453 HydrophobicContact CG1-CG 4.13Å; V434-W458 HydrophobicContact CG1-CH2 3.68Å; V434-W458 HydrophobicContact CG1-CZ2 3.79Å
435	E	87.8	Confident	92.3	Very high	142 Å²	142	44.4 Å²	44.4	66%	0.664	25%	0.251	S	S	*	.	S	Bend	trans	-90.5	-14.6	-178.2	-62	-164	-174.7	0	0	114.7	G408 Q409	G408-E435 CarbonylContact C-O 3.55Å; G408-E435 WeakPolarHBondContact CA-O 3.38Å; Q409-E435 WeakPolarHBondContact CA-O 3.38Å; Q409-E435 HydrophobicContact CG-CB 4Å; Q409-E435 HydrophobicContact CG-CG 4.46Å; Q409-E435 WeakPolarHBondContact CG-O 3.47Å; Q409-E435 PolarHBondContact N-O 2.99Å; Q409-E435 PolarHBondContact NE2-OE2 3.06Å
436	A	92.9	Very high	92.1	Very high	22 Å²	22	41.4 Å²	41.4	18%	0.182	24%	0.243	C	C	.	.			trans	-158.2	172.3	176.4	0	0	0	0	0	109	V434 K453	V434-A436 WeakPolarHBondContact CG2-O 3.48Å; A436-K453 WeakPolarHBondContact O-CD 3.48Å
437	V	95.1	Very high	91.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	24%	0.238	C	C	.	.			trans	-124	145.2	170	-67.5	0	0	0	0	109.1	A393 F406 L432 V434 F451	A393-V437 HydrophobicContact CB-CG2 3.85Å; F406-V437 HydrophobicContact CB-CG2 3.92Å; F406-V437 HydrophobicContact CD1-CG2 4.22Å; F406-V437 HydrophobicContact CD2-CG2 4.33Å; F406-V437 HydrophobicContact CG-CG2 3.89Å; L432-V437 HydrophobicContact CD1-CG1 3.98Å; V434-V437 HydrophobicContact CG2-CG1 4.38Å; V437-F451 HydrophobicContact CG1-CB 4.35Å; V437-F451 HydrophobicContact CG1-CD1 3.95Å
438	D	94.6	Very high	91.7	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.193	25%	0.245	C	C	.	.	S	Bend	trans	-99.2	-21	-177.4	-56.9	-23.1	0	0	0	112.5	F452 K453 D454 D486	D438-F452 PolarHBondContact N-O 2.83Å; D438-K453 VanDerWaalsContact CG-NZ 3.34Å; D438-K453 WeakPolarHBondContact OD1-CD 3.44Å; D438-K453 WeakPolarHBondContact OD1-CE 3.36Å; D438-K453 IonicContact OD1-NZ 2.73Å; D438-K453 PolarHBondContact OD1-NZ 3.37Å; D438-K453 WeakPolarHBondContact OD2-CD 3.49Å; D438-K453 IonicContact OD2-NZ 3.13Å; D438-K453 PolarHBondContact OD2-NZ 3.49Å; D438-K453 VanDerWaalsContact OD2-NZ 3.13Å; D438-D454 PolarHBondContact OD2-N 3.44Å; D438-D486 CarbonylContact O-C 3.55Å
439	A	95.8	Very high	91.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	148.2	172	0	0	0	0	0	110.9	F452 L485 D487 A488	A439-F452 HydrophobicContact CB-CB 4.07Å; A439-F452 HydrophobicContact CB-CD2 4.23Å; A439-F452 HydrophobicContact CB-CG 4.42Å; A439-F452 PolarHBondContact O-N 3.19Å; A439-L485 HydrophobicContact CB-CB 4.3Å; A439-D487 WeakPolarHBondContact CA-OD1 3.43Å; A439-A488 HydrophobicContact CB-CB 4.42Å
440	V	96.8	Very high	92	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	120	170.8	71.3	0	0	0	0	113.4	A393 Y395 F406 T449 Y450 F451 D487	A393-V440 HydrophobicContact CB-CB 4.12Å; A393-V440 HydrophobicContact CB-CG1 3.5Å; Y395-V440 HydrophobicContact CD1-CG1 3.81Å; Y395-V440 HydrophobicContact CD1-CG2 3.86Å; Y395-V440 HydrophobicContact CE1-CG2 4.26Å; Y395-V440 HydrophobicContact CG-CG1 4.32Å; Y395-V440 HydrophobicContact CG-CG2 4.26Å; F406-V440 HydrophobicContact CD2-CG1 3.99Å; F406-V440 HydrophobicContact CE2-CG1 3.97Å; V440-T449 HydrophobicContact CG2-CG2 3.45Å; V440-T449 VanDerWaalsContact CG2-CG2 3.45Å; V440-Y450 WeakPolarHBondContact CA-O 3.37Å; V440-F451 HydrophobicContact CB-CD1 3.93Å; V440-F451 HydrophobicContact CB-CE1 4.21Å; V440-F451 HydrophobicContact CG2-CD1 3.38Å; V440-F451 HydrophobicContact CG2-CE1 3.4Å; V440-F451 VanDerWaalsContact CG2-CE1 3.4Å; V440-F451 HydrophobicContact CG2-CG 4.06Å; V440-F451 HydrophobicContact CG2-CZ 4.07Å; V440-D487 PolarHBondContact N-OD1 2.88Å
441	F	95.7	Very high	92.2	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.013	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.4	177.8	88.9	-81.5	0	0	0	112.8	W443 T449 Y450 F452 W478 A488 S496 F498	F441-W443 HydrophobicContact CD2-CB 4.42Å; F441-W443 HydrophobicContact CE2-CB 3.59Å; F441-W443 AromaticContact CE2-CD1 3.91Å; F441-W443 AromaticContact CE2-CG 3.92Å; F441-W443 HydrophobicContact CE2-CG 3.92Å; F441-W443 HydrophobicContact CZ-CB 4.02Å; F441-W443 HydrophobicContact CZ-CG 4.2Å; F441-T449 CarbonylContact O-C 3.52Å; F441-T449 WeakPolarHBondContact O-CA 3.4Å; F441-Y450 HydrophobicContact CE1-CG 4.39Å; F441-Y450 PolarHBondContact N-O 3.19Å; F441-Y450 VanDerWaalsContact N-O 3.14Å; F441-Y450 PolarHBondContact O-N 2.72Å; F441-F452 HydrophobicContact CD1-CE2 4.04Å; F441-F452 AromaticContact CE1-CE2 3.75Å; F441-F452 HydrophobicContact CE1-CE2 3.75Å; F441-F452 HydrophobicContact CE1-CZ 4.21Å; F441-W478 HydrophobicContact CE1-CH2 4.49Å; F441-W478 AromaticContact CZ-CH2 3.89Å; F441-W478 HydrophobicContact CZ-CH2 3.89Å; F441-W478 HydrophobicContact CZ-CZ2 4.39Å; F441-W478 HydrophobicContact CZ-CZ3 4.5Å; F441-A488 HydrophobicContact CB-CB 4Å; F441-A488 VanDerWaalsContact CB-O 3.3Å; F441-A488 WeakPolarHBondContact CB-O 3.4Å; F441-A488 HydrophobicContact CD1-CB 3.71Å; F441-A488 HydrophobicContact CE1-CB 4.46Å; F441-A488 HydrophobicContact CG-CB 4.03Å; F441-S496 WeakPolarHBondContact CE2-OG 3.49Å; F441-F498 HydrophobicContact CD1-CE1 4.18Å; F441-F498 HydrophobicContact CD1-CZ 4.37Å; F441-F498 AromaticContact CE1-CE1 3.59Å; F441-F498 HydrophobicContact CE1-CE1 3.59Å; F441-F498 AromaticContact CE1-CZ 3.5Å; F441-F498 HydrophobicContact CE1-CZ 3.5Å; F441-F498 HydrophobicContact CE2-CZ 4.49Å; F441-F498 HydrophobicContact CZ-CE1 4.17Å; F441-F498 HydrophobicContact CZ-CE2 4.44Å; F441-F498 AromaticContact CZ-CZ 3.58Å; F441-F498 HydrophobicContact CZ-CZ 3.58Å
442	V	94.4	Very high	92.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.4	176.6	-167.2	0	0	0	0	109.3	Y395 P398 D447 K448 R490	Y395-V442 HydrophobicContact CD2-CG2 3.49Å; Y395-V442 VanDerWaalsContact CD2-CG2 3.49Å; Y395-V442 HydrophobicContact CE2-CG2 4.1Å; Y395-V442 HydrophobicContact CG-CG2 4.43Å; P398-V442 HydrophobicContact CG-CG1 4.09Å; V442-D447 WeakPolarHBondContact CG1-OD1 3.37Å; V442-K448 WeakPolarHBondContact CA-O 3.28Å; V442-R490 VanDerWaalsContact CB-CZ 3.49Å; V442-R490 WeakPolarHBondContact O-CD 3.41Å
443	W	92.6	Very high	92.7	Very high	6 Å²	6	35.1 Å²	35.1	2%	0.023	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.3	-172.7	-169	28.6	0	0	0	112	F441 H445 N446 D447 K448 Y450 W478 G509 S510 M512	F441-W443 HydrophobicContact CD2-CB 4.42Å; F441-W443 HydrophobicContact CE2-CB 3.59Å; F441-W443 AromaticContact CE2-CD1 3.91Å; F441-W443 AromaticContact CE2-CG 3.92Å; F441-W443 HydrophobicContact CE2-CG 3.92Å; F441-W443 HydrophobicContact CZ-CB 4.02Å; F441-W443 HydrophobicContact CZ-CG 4.2Å; W443-H445 HydrophobicContact CD2-CB 3.94Å; W443-H445 HydrophobicContact CE3-CB 4.31Å; W443-H445 HydrophobicContact CG-CB 4.32Å; W443-H445 AromaticContact CH2-ND1 3.59Å; W443-H445 HydrophobicContact CZ2-CB 4.28Å; W443-H445 AromaticContact CZ2-ND1 3.93Å; W443-H445 AromaticContact CZ3-ND1 3.63Å; W443-H445 PolarHBondContact O-N 3.26Å; W443-N446 PolarHBondContact O-N 2.99Å; W443-D447 WeakPolarHBondContact O-CA 3.24Å; W443-D447 PolarHBondContact O-N 3.4Å; W443-K448 PolarHBondContact N-O 2.95Å; W443-Y450 HydrophobicContact CB-CD2 3.98Å; W443-Y450 HydrophobicContact CB-CE2 3.82Å; W443-Y450 HydrophobicContact CE3-CE1 4.32Å; W443-Y450 AromaticContact CE3-CE2 3.81Å; W443-Y450 HydrophobicContact CE3-CE2 3.81Å; W443-Y450 AromaticContact CE3-CZ 3.53Å; W443-Y450 WeakPolarHBondContact CZ3-OH 3.21Å; W443-W478 HydrophobicContact CD2-CH2 4.07Å; W443-W478 AromaticContact CE2-CH2 3.99Å; W443-W478 HydrophobicContact CE3-CH2 4.23Å; W443-W478 HydrophobicContact CH2-CH2 4.16Å; W443-W478 HydrophobicContact CZ2-CH2 4.02Å; W443-W478 HydrophobicContact CZ2-CZ3 4.22Å; W443-W478 HydrophobicContact CZ3-CH2 4.29Å; W443-G509 PolarHBondContact NE1-O 3.35Å; W443-S510 WeakPolarHBondContact CH2-O 3.32Å; W443-S510 VanDerWaalsContact CZ2-C 3.49Å; W443-S510 VanDerWaalsContact CZ2-O 3.3Å; W443-S510 WeakPolarHBondContact CZ2-O 3.38Å; W443-M512 HydrophobicContact CE3-CE 4.46Å; W443-M512 HydrophobicContact CH2-CE 3.55Å; W443-M512 HydrophobicContact CH2-CG 3.72Å; W443-M512 HydrophobicContact CZ2-CG 4.27Å; W443-M512 HydrophobicContact CZ3-CE 3.41Å; W443-M512 VanDerWaalsContact CZ3-CE 3.41Å
444	L	85.9	Confident	93	Very high	83 Å²	83	33.9 Å²	33.9	44%	0.435	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.9	-174.9	-71.9	166.9	0	0	0	115	N446 R490	L444-N446 VanDerWaalsContact C-N 3.32Å; L444-N446 PolarHBondContact O-N 3.36Å; L444-R490 HydrophobicContact CD1-CB 4.15Å; L444-R490 HydrophobicContact CG-CB 4.26Å
445	H	86.8	Confident	93.2	Very high	112 Å²	112	35.3 Å²	35.3	52%	0.519	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.3	175.6	170.8	-140.1	0	0	0	113.3	W443	W443-H445 HydrophobicContact CD2-CB 3.94Å; W443-H445 HydrophobicContact CE3-CB 4.31Å; W443-H445 HydrophobicContact CG-CB 4.32Å; W443-H445 AromaticContact CH2-ND1 3.59Å; W443-H445 HydrophobicContact CZ2-CB 4.28Å; W443-H445 AromaticContact CZ2-ND1 3.93Å; W443-H445 AromaticContact CZ3-ND1 3.63Å; W443-H445 PolarHBondContact O-N 3.26Å
446	N	90.7	Very high	93.5	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.251	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	4	-176.7	60.6	34.6	0	0	0	115.3	W443 L444 K448 Y450	W443-N446 PolarHBondContact O-N 2.99Å; L444-N446 VanDerWaalsContact C-N 3.32Å; L444-N446 PolarHBondContact O-N 3.36Å; N446-K448 HydrophobicContact CB-CG 4.48Å; N446-K448 PolarHBondContact O-N 3.1Å; N446-K448 VanDerWaalsContact O-N 3.14Å; N446-K448 WeakPolarHBondContact OD1-CB 3.34Å; N446-K448 PolarHBondContact OD1-N 3.44Å; N446-Y450 PolarHBondContact ND2-OH 2.72Å
447	D	90.4	Very high	93.6	Very high	55 Å²	55	33.5 Å²	33.5	29%	0.294	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	35.8	-178.5	-145.4	35.2	0	0	0	114	P398 V442 W443 R490	P398-D447 WeakPolarHBondContact CB-OD2 3.22Å; V442-D447 WeakPolarHBondContact CG1-OD1 3.37Å; W443-D447 WeakPolarHBondContact O-CA 3.24Å; W443-D447 PolarHBondContact O-N 3.4Å; D447-R490 IonicContact OD1-CZ 2.96Å; D447-R490 IonicContact OD1-NH1 2.66Å; D447-R490 PolarHBondContact OD1-NH1 2.92Å; D447-R490 IonicContact OD1-NH2 2.61Å
448	K	94.4	Very high	93.7	Very high	40 Å²	40	34 Å²	34	17%	0.174	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	149.6	168.6	-53.6	-55.8	166	-166.3	0	110.5	V442 W443 N446 Y450 R459 Y460 D461	V442-K448 WeakPolarHBondContact CA-O 3.28Å; W443-K448 PolarHBondContact N-O 2.95Å; N446-K448 HydrophobicContact CB-CG 4.48Å; N446-K448 PolarHBondContact O-N 3.1Å; N446-K448 VanDerWaalsContact O-N 3.14Å; N446-K448 WeakPolarHBondContact OD1-CB 3.34Å; N446-K448 PolarHBondContact OD1-N 3.44Å; K448-Y450 HydrophobicContact CB-CD2 4.47Å; K448-Y450 HydrophobicContact CB-CE2 4Å; K448-Y450 WeakPolarHBondContact O-CD2 3.44Å; K448-R459 HydrophobicContact CB-CG 3.57Å; K448-R459 HydrophobicContact CG-CG 4.14Å; K448-Y460 WeakPolarHBondContact CB-O 3.34Å; K448-D461 HydrophobicContact CD-CB 4.2Å; K448-D461 VanDerWaalsContact NZ-CG 3.28Å; K448-D461 IonicContact NZ-OD1 3.38Å; K448-D461 IonicContact NZ-OD2 3.35Å; K448-D461 PolarHBondContact NZ-OD2 3.02Å
449	T	96.3	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.8	173.4	-60.8	0	0	0	0	109.2	Y395 V440 F441 F451 R459 Y460 D462	Y395-T449 HydrophobicContact CD2-CG2 4.15Å; Y395-T449 HydrophobicContact CE1-CG2 4.32Å; Y395-T449 HydrophobicContact CE2-CG2 3.81Å; Y395-T449 WeakPolarHBondContact CE2-OG1 3.08Å; V440-T449 HydrophobicContact CG2-CG2 3.45Å; V440-T449 VanDerWaalsContact CG2-CG2 3.45Å; F441-T449 CarbonylContact O-C 3.52Å; F441-T449 WeakPolarHBondContact O-CA 3.4Å; T449-F451 HydrophobicContact CG2-CD2 4.33Å; T449-F451 HydrophobicContact CG2-CE1 4.49Å; T449-F451 HydrophobicContact CG2-CE2 3.88Å; T449-F451 HydrophobicContact CG2-CZ 3.97Å; T449-R459 WeakPolarHBondContact O-CA 3.41Å; T449-Y460 PolarHBondContact N-O 3.32Å; T449-Y460 PolarHBondContact O-N 3.01Å; T449-D462 VanDerWaalsContact CB-OD2 3.28Å; T449-D462 WeakPolarHBondContact CB-OD2 3.43Å; T449-D462 PolarHBondContact OG1-OD2 2.91Å
450	Y	96.4	Very high	93.8	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.3	179.8	-76.4	-114	0	0	0	108.4	V440 F441 W443 N446 K448 Y457 W458 R459 W478 M512	V440-Y450 WeakPolarHBondContact CA-O 3.37Å; F441-Y450 HydrophobicContact CE1-CG 4.39Å; F441-Y450 PolarHBondContact N-O 3.19Å; F441-Y450 VanDerWaalsContact N-O 3.14Å; F441-Y450 PolarHBondContact O-N 2.72Å; W443-Y450 HydrophobicContact CB-CD2 3.98Å; W443-Y450 HydrophobicContact CB-CE2 3.82Å; W443-Y450 HydrophobicContact CE3-CE1 4.32Å; W443-Y450 AromaticContact CE3-CE2 3.81Å; W443-Y450 HydrophobicContact CE3-CE2 3.81Å; W443-Y450 AromaticContact CE3-CZ 3.53Å; W443-Y450 WeakPolarHBondContact CZ3-OH 3.21Å; N446-Y450 PolarHBondContact ND2-OH 2.72Å; K448-Y450 HydrophobicContact CB-CD2 4.47Å; K448-Y450 HydrophobicContact CB-CE2 4Å; K448-Y450 WeakPolarHBondContact O-CD2 3.44Å; Y450-Y457 AromaticContact CD1-CD2 3.68Å; Y450-Y457 HydrophobicContact CD1-CD2 3.68Å; Y450-Y457 AromaticContact CD1-CE2 3.8Å; Y450-Y457 HydrophobicContact CD1-CE2 3.8Å; Y450-Y457 HydrophobicContact CE1-CD2 4.1Å; Y450-Y457 AromaticContact CE1-CE2 3.71Å; Y450-Y457 HydrophobicContact CE1-CE2 3.71Å; Y450-W458 WeakPolarHBondContact CA-O 3.27Å; Y450-R459 HydrophobicContact CD2-CG 4.19Å; Y450-R459 HydrophobicContact CE1-CB 4.46Å; Y450-R459 HydrophobicContact CE1-CG 4.29Å; Y450-R459 HydrophobicContact CE2-CG 3.78Å; Y450-R459 WeakPolarHBondContact OH-CD 3.5Å; Y450-W478 AromaticContact CD1-CZ2 3.83Å; Y450-W478 HydrophobicContact CD1-CZ2 3.83Å; Y450-W478 AromaticContact CE1-CZ2 3.79Å; Y450-W478 HydrophobicContact CE1-CZ2 3.79Å; Y450-M512 HydrophobicContact CE1-CE 4.37Å
451	F	96.9	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.8	173.9	-63.3	-86.7	0	0	0	109.1	F406 F430 L432 V437 V440 T449 Y457 W458 Y460 M467	F406-F451 HydrophobicContact CE1-CE1 4.14Å; F406-F451 AromaticContact CE2-CE1 3.97Å; F406-F451 HydrophobicContact CE2-CE1 3.97Å; F406-F451 AromaticContact CZ-CE1 3.57Å; F406-F451 HydrophobicContact CZ-CE1 3.57Å; F406-F451 HydrophobicContact CZ-CZ 4.14Å; F430-F451 HydrophobicContact CD1-CE2 4.06Å; F430-F451 AromaticContact CD1-CZ 3.63Å; F430-F451 HydrophobicContact CD1-CZ 3.63Å; F430-F451 AromaticContact CE1-CZ 3.88Å; F430-F451 HydrophobicContact CE1-CZ 3.88Å; F430-F451 HydrophobicContact CG-CZ 4.13Å; L432-F451 HydrophobicContact CD1-CD1 3.86Å; L432-F451 HydrophobicContact CD1-CD2 4.16Å; L432-F451 HydrophobicContact CD1-CE1 3.98Å; L432-F451 HydrophobicContact CD1-CE2 4.29Å; L432-F451 HydrophobicContact CD1-CG 3.94Å; L432-F451 HydrophobicContact CD1-CZ 4.21Å; L432-F451 HydrophobicContact CD2-CB 4.16Å; L432-F451 HydrophobicContact CD2-CD2 4.3Å; L432-F451 HydrophobicContact CD2-CG 4.24Å; V437-F451 HydrophobicContact CG1-CB 4.35Å; V437-F451 HydrophobicContact CG1-CD1 3.95Å; V440-F451 HydrophobicContact CB-CD1 3.93Å; V440-F451 HydrophobicContact CB-CE1 4.21Å; V440-F451 HydrophobicContact CG2-CD1 3.38Å; V440-F451 HydrophobicContact CG2-CE1 3.4Å; V440-F451 VanDerWaalsContact CG2-CE1 3.4Å; V440-F451 HydrophobicContact CG2-CG 4.06Å; V440-F451 HydrophobicContact CG2-CZ 4.07Å; T449-F451 HydrophobicContact CG2-CD2 4.33Å; T449-F451 HydrophobicContact CG2-CE1 4.49Å; T449-F451 HydrophobicContact CG2-CE2 3.88Å; T449-F451 HydrophobicContact CG2-CZ 3.97Å; F451-Y457 CarbonylContact O-C 3.57Å; F451-Y457 WeakPolarHBondContact O-CA 3.45Å; F451-Y457 WeakPolarHBondContact O-CB 3.25Å; F451-W458 HydrophobicContact CB-CB 4.34Å; F451-W458 PolarHBondContact N-O 3.43Å; F451-W458 VanDerWaalsContact N-O 3.08Å; F451-W458 PolarHBondContact O-N 3.16Å; F451-Y460 HydrophobicContact CE2-CD1 4.32Å; F451-Y460 HydrophobicContact CE2-CG 4.01Å; F451-M467 HydrophobicContact CD2-CE 4.45Å
452	F	95.9	Very high	93.6	Very high	9 Å²	9	37 Å²	37	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.9	173.2	-66.1	-109.4	0	0	0	110	D438 A439 F441 Y456 Y457 W478 L485 F498	D438-F452 PolarHBondContact N-O 2.83Å; A439-F452 HydrophobicContact CB-CB 4.07Å; A439-F452 HydrophobicContact CB-CD2 4.23Å; A439-F452 HydrophobicContact CB-CG 4.42Å; A439-F452 PolarHBondContact O-N 3.19Å; F441-F452 HydrophobicContact CD1-CE2 4.04Å; F441-F452 AromaticContact CE1-CE2 3.75Å; F441-F452 HydrophobicContact CE1-CE2 3.75Å; F441-F452 HydrophobicContact CE1-CZ 4.21Å; F452-Y456 WeakPolarHBondContact CA-O 3.34Å; F452-Y457 HydrophobicContact CE1-CG 4.12Å; F452-Y457 HydrophobicContact CZ-CG 4.35Å; F452-W478 AromaticContact CE1-CD1 3.94Å; F452-W478 AromaticContact CE1-NE1 3.84Å; F452-W478 AromaticContact CZ-CE2 3.97Å; F452-W478 HydrophobicContact CZ-CZ2 4.34Å; F452-W478 AromaticContact CZ-NE1 3.66Å; F452-L485 HydrophobicContact CD1-CD1 3.89Å; F452-L485 HydrophobicContact CE1-CD1 4.14Å; F452-L485 HydrophobicContact CG-CD1 4.2Å; F452-F498 HydrophobicContact CE2-CE1 4.31Å; F452-F498 HydrophobicContact CZ-CE1 4.02Å
453	K	94.9	Very high	93.3	Very high	40 Å²	40	42.4 Å²	42.4	17%	0.174	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	124.9	166.8	-177.9	57.7	-165.8	133.9	0	110.2	V434 A436 D438 N455 Y456 W458	V434-K453 HydrophobicContact CB-CG 4.27Å; V434-K453 HydrophobicContact CG1-CB 4.39Å; V434-K453 HydrophobicContact CG1-CG 4.13Å; A436-K453 WeakPolarHBondContact O-CD 3.48Å; D438-K453 VanDerWaalsContact CG-NZ 3.34Å; D438-K453 WeakPolarHBondContact OD1-CD 3.44Å; D438-K453 WeakPolarHBondContact OD1-CE 3.36Å; D438-K453 IonicContact OD1-NZ 2.73Å; D438-K453 PolarHBondContact OD1-NZ 3.37Å; D438-K453 WeakPolarHBondContact OD2-CD 3.49Å; D438-K453 IonicContact OD2-NZ 3.13Å; D438-K453 PolarHBondContact OD2-NZ 3.49Å; D438-K453 VanDerWaalsContact OD2-NZ 3.13Å; K453-N455 PolarHBondContact O-N 3.34Å; K453-N455 VanDerWaalsContact O-N 3.14Å; K453-Y456 PolarHBondContact N-O 3.49Å; K453-Y456 PolarHBondContact O-N 2.88Å; K453-Y456 VanDerWaalsContact O-O 3.14Å; K453-W458 HydrophobicContact CB-CH2 4.17Å; K453-W458 HydrophobicContact CB-CZ3 3.73Å
454	D	90.9	Very high	93.3	Very high	74 Å²	74	47.9 Å²	47.9	40%	0.396	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-105.6	-177.6	-53.9	-54.1	0	0	0	113.2	D438 Q484	D438-D454 PolarHBondContact OD2-N 3.44Å; D454-Q484 PolarHBondContact O-N 2.96Å
455	N	91.9	Very high	93.5	Very high	64 Å²	64	51.8 Å²	51.8	34%	0.342	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	8.8	176.8	-66.3	-19.5	0	0	0	112.5	K453 S475	K453-N455 PolarHBondContact O-N 3.34Å; K453-N455 VanDerWaalsContact O-N 3.14Å; N455-S475 WeakPolarHBondContact CA-OG 3.35Å; N455-S475 VanDerWaalsContact O-CB 3.27Å; N455-S475 WeakPolarHBondContact O-CB 3.42Å; N455-S475 PolarHBondContact O-N 3.01Å; N455-S475 PolarHBondContact O-OG 3.39Å
456	Y	94.8	Very high	93.8	Very high	119 Å²	119	50.3 Å²	50.3	47%	0.467	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.6	-173.7	-65.8	-69.4	0	0	0	112.3	F452 K453 P472 K473	F452-Y456 WeakPolarHBondContact CA-O 3.34Å; K453-Y456 PolarHBondContact N-O 3.49Å; K453-Y456 PolarHBondContact O-N 2.88Å; K453-Y456 VanDerWaalsContact O-O 3.14Å; Y456-P472 HydrophobicContact CD1-CB 4.31Å; Y456-P472 HydrophobicContact CG-CB 4.4Å; Y456-K473 CarbonylContact C-O 3.53Å; Y456-K473 WeakPolarHBondContact CA-O 3.36Å
457	Y	95.3	Very high	94	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.2	169.3	78.2	-80.6	0	0	0	112.4	Y450 F451 F452 F471 P472 K473 D474 L477 W478	Y450-Y457 AromaticContact CD1-CD2 3.68Å; Y450-Y457 HydrophobicContact CD1-CD2 3.68Å; Y450-Y457 AromaticContact CD1-CE2 3.8Å; Y450-Y457 HydrophobicContact CD1-CE2 3.8Å; Y450-Y457 HydrophobicContact CE1-CD2 4.1Å; Y450-Y457 AromaticContact CE1-CE2 3.71Å; Y450-Y457 HydrophobicContact CE1-CE2 3.71Å; F451-Y457 CarbonylContact O-C 3.57Å; F451-Y457 WeakPolarHBondContact O-CA 3.45Å; F451-Y457 WeakPolarHBondContact O-CB 3.25Å; F452-Y457 HydrophobicContact CE1-CG 4.12Å; F452-Y457 HydrophobicContact CZ-CG 4.35Å; Y457-F471 HydrophobicContact CD2-CE1 4.14Å; Y457-F471 HydrophobicContact CE2-CD1 4.4Å; Y457-F471 AromaticContact CE2-CE1 3.64Å; Y457-F471 HydrophobicContact CE2-CE1 3.64Å; Y457-P472 CarbonylContact O-C 3.58Å; Y457-P472 VanDerWaalsContact O-CA 3.29Å; Y457-P472 WeakPolarHBondContact O-CA 3.5Å; Y457-K473 HydrophobicContact CD1-CB 4.09Å; Y457-K473 WeakPolarHBondContact CD1-O 3.46Å; Y457-K473 HydrophobicContact CE1-CB 3.54Å; Y457-K473 PolarHBondContact N-O 2.99Å; Y457-K473 PolarHBondContact O-N 2.99Å; Y457-D474 WeakPolarHBondContact CE1-O 3.5Å; Y457-L477 HydrophobicContact CE1-CB 4.46Å; Y457-L477 HydrophobicContact CE1-CD1 4.28Å; Y457-W478 AromaticContact CD1-NE1 3.93Å; Y457-W478 AromaticContact CD2-NE1 3.99Å; Y457-W478 AromaticContact CE1-CD1 3.99Å; Y457-W478 AromaticContact CE1-NE1 3.75Å; Y457-W478 AromaticContact CE2-NE1 3.79Å; Y457-W478 AromaticContact CZ-NE1 3.67Å
458	W	96.8	Very high	94.2	Very high	15 Å²	15	48.3 Å²	48.3	6%	0.057	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	155.9	179	-70.8	-106	0	0	0	109.2	L432 P433 V434 Y450 F451 K453 M467 P472	L432-W458 HydrophobicContact CD2-CB 4.08Å; L432-W458 HydrophobicContact CD2-CD2 4.03Å; L432-W458 HydrophobicContact CD2-CG 3.8Å; P433-W458 HydrophobicContact CG-CZ2 4.25Å; V434-W458 HydrophobicContact CG1-CH2 3.68Å; V434-W458 HydrophobicContact CG1-CZ2 3.79Å; Y450-W458 WeakPolarHBondContact CA-O 3.27Å; F451-W458 HydrophobicContact CB-CB 4.34Å; F451-W458 PolarHBondContact N-O 3.43Å; F451-W458 VanDerWaalsContact N-O 3.08Å; F451-W458 PolarHBondContact O-N 3.16Å; K453-W458 HydrophobicContact CB-CH2 4.17Å; K453-W458 HydrophobicContact CB-CZ3 3.73Å; W458-M467 HydrophobicContact CB-CE 4Å; W458-M467 HydrophobicContact CB-SD 3.66Å; W458-M467 HydrophobicContact CG-CE 4.32Å; W458-M467 HydrophobicContact CG-SD 4.28Å; W458-P472 HydrophobicContact CD2-CB 3.93Å; W458-P472 HydrophobicContact CE3-CB 4.38Å; W458-P472 HydrophobicContact CG-CB 4.39Å; W458-P472 HydrophobicContact CH2-CB 4.18Å; W458-P472 HydrophobicContact CZ2-CB 3.75Å; W458-P472 HydrophobicContact CZ2-CG 3.89Å; W458-P472 HydrophobicContact CZ3-CB 4.47Å
459	R	96.2	Very high	94.1	Very high	71 Å²	71	54.4 Å²	54.4	27%	0.268	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.2	174.6	-170.9	176.2	74.7	-173.2	1.4	110.6	K448 T449 Y450 M467 D468 F471	K448-R459 HydrophobicContact CB-CG 3.57Å; K448-R459 HydrophobicContact CG-CG 4.14Å; T449-R459 WeakPolarHBondContact O-CA 3.41Å; Y450-R459 HydrophobicContact CD2-CG 4.19Å; Y450-R459 HydrophobicContact CE1-CB 4.46Å; Y450-R459 HydrophobicContact CE1-CG 4.29Å; Y450-R459 HydrophobicContact CE2-CG 3.78Å; Y450-R459 WeakPolarHBondContact OH-CD 3.5Å; R459-M467 VanDerWaalsContact C-SD 3.51Å; R459-D468 IonicContact CZ-OD2 3.44Å; R459-D468 IonicContact NE-OD2 2.72Å; R459-D468 PolarHBondContact NE-OD2 3.38Å; R459-D468 IonicContact NH2-OD2 2.7Å; R459-D468 PolarHBondContact NH2-OD2 3.17Å; R459-D468 WeakPolarHBondContact O-CB 3.42Å; R459-D468 PolarHBondContact O-N 3.5Å; R459-F471 HydrophobicContact CB-CD1 4.16Å; R459-F471 HydrophobicContact CB-CD2 4.08Å; R459-F471 HydrophobicContact CB-CE1 3.75Å; R459-F471 HydrophobicContact CB-CE2 3.67Å; R459-F471 HydrophobicContact CB-CG 4.31Å; R459-F471 HydrophobicContact CB-CZ 3.48Å; R459-F471 VanDerWaalsContact CB-CZ 3.48Å; R459-F471 HydrophobicContact CG-CZ 4.44Å
460	Y	96.2	Very high	93.9	Very high	12 Å²	12	57.2 Å²	57.2	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.1	-172.3	-179	-98.6	0	0	0	110.9	F430 K448 T449 F451 D462 R465 H466 M467	F430-Y460 HydrophobicContact CB-CD2 4.38Å; F430-Y460 HydrophobicContact CB-CE2 4.11Å; F430-Y460 HydrophobicContact CD1-CD1 4.01Å; F430-Y460 HydrophobicContact CD1-CD2 4.21Å; F430-Y460 AromaticContact CD1-CE1 3.59Å; F430-Y460 HydrophobicContact CD1-CE1 3.59Å; F430-Y460 AromaticContact CD1-CE2 3.83Å; F430-Y460 HydrophobicContact CD1-CE2 3.83Å; F430-Y460 HydrophobicContact CD1-CG 4.3Å; F430-Y460 AromaticContact CD1-CZ 3.49Å; F430-Y460 VanDerWaalsContact CD1-CZ 3.49Å; F430-Y460 HydrophobicContact CE1-CD1 4.42Å; F430-Y460 AromaticContact CE1-CE1 3.88Å; F430-Y460 HydrophobicContact CE1-CE1 3.88Å; F430-Y460 HydrophobicContact CG-CE2 4.42Å; F430-Y460 WeakPolarHBondContact O-CE2 3.47Å; K448-Y460 WeakPolarHBondContact CB-O 3.34Å; T449-Y460 PolarHBondContact N-O 3.32Å; T449-Y460 PolarHBondContact O-N 3.01Å; F451-Y460 HydrophobicContact CE2-CD1 4.32Å; F451-Y460 HydrophobicContact CE2-CG 4.01Å; Y460-D462 WeakPolarHBondContact CD1-OD2 3.15Å; Y460-D462 HydrophobicContact CE1-CB 4.31Å; Y460-R465 WeakPolarHBondContact OH-CA 3.39Å; Y460-H466 WeakPolarHBondContact CD2-O 3.45Å; Y460-M467 HydrophobicContact CD2-CE 4.14Å; Y460-M467 HydrophobicContact CD2-SD 4.42Å
461	D	94.5	Very high	93.8	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	103.9	176.1	-170.2	-37.9	0	0	0	109.3	K448 H463 L464 R465 H466	K448-D461 HydrophobicContact CD-CB 4.2Å; K448-D461 VanDerWaalsContact NZ-CG 3.28Å; K448-D461 IonicContact NZ-OD1 3.38Å; K448-D461 IonicContact NZ-OD2 3.35Å; K448-D461 PolarHBondContact NZ-OD2 3.02Å; D461-H463 PolarHBondContact O-N 2.92Å; D461-H463 WeakPolarHBondContact OD1-CA 3.5Å; D461-H463 WeakPolarHBondContact OD1-CB 3.47Å; D461-H463 PolarHBondContact OD1-N 2.95Å; D461-L464 HydrophobicContact CB-CB 4.13Å; D461-L464 PolarHBondContact O-N 2.85Å; D461-L464 PolarHBondContact OD1-N 3.21Å; D461-R465 WeakPolarHBondContact O-CA 3.4Å; D461-R465 PolarHBondContact O-N 2.72Å; D461-H466 PolarHBondContact N-O 3.04Å; D461-H466 PolarHBondContact O-N 3.15Å
462	D	92.7	Very high	93.7	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.037	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.2	178.9	-76.7	-97.3	0	0	0	114	Y395 R397 P398 T449 Y460 R465	Y395-D462 PolarHBondContact OH-OD1 2.87Å; R397-D462 WeakPolarHBondContact CD-OD1 3.35Å; R397-D462 HydrophobicContact CG-CB 3.97Å; R397-D462 WeakPolarHBondContact CG-OD1 3.43Å; R397-D462 IonicContact CZ-OD1 2.76Å; R397-D462 IonicContact NE-OD1 2.71Å; R397-D462 PolarHBondContact NE-OD1 2.89Å; R397-D462 IonicContact NH2-OD1 2.64Å; P398-D462 HydrophobicContact CG-CB 4.04Å; T449-D462 VanDerWaalsContact CB-OD2 3.28Å; T449-D462 WeakPolarHBondContact CB-OD2 3.43Å; T449-D462 PolarHBondContact OG1-OD2 2.91Å; Y460-D462 WeakPolarHBondContact CD1-OD2 3.15Å; Y460-D462 HydrophobicContact CE1-CB 4.31Å; D462-R465 WeakPolarHBondContact O-CG 3.13Å
463	H	90.1	Very high	93.7	Very high	116 Å²	116	65.1 Å²	65.1	54%	0.537	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-45.4	176	-55.9	-42.3	0	0	0	111.3	D461 R465	D461-H463 PolarHBondContact O-N 2.92Å; D461-H463 WeakPolarHBondContact OD1-CA 3.5Å; D461-H463 WeakPolarHBondContact OD1-CB 3.47Å; D461-H463 PolarHBondContact OD1-N 2.95Å; H463-R465 VanDerWaalsContact C-N 3.34Å
464	L	91.6	Very high	93.7	Very high	121 Å²	121	66.4 Å²	66.4	63%	0.634	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.7	175.7	-62.6	-179.4	0	0	0	113.1	D461	D461-L464 HydrophobicContact CB-CB 4.13Å; D461-L464 PolarHBondContact O-N 2.85Å; D461-L464 PolarHBondContact OD1-N 3.21Å
465	R	91	Very high	93.8	Very high	166 Å²	166	63.6 Å²	63.6	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	50	-175.7	-61.2	-174.3	177	-170.2	-1.3	113.1	Y460 D461 D462 H463	Y460-R465 WeakPolarHBondContact OH-CA 3.39Å; D461-R465 WeakPolarHBondContact O-CA 3.4Å; D461-R465 PolarHBondContact O-N 2.72Å; D462-R465 WeakPolarHBondContact O-CG 3.13Å; H463-R465 VanDerWaalsContact C-N 3.34Å
466	H	92.6	Very high	93.8	Very high	81 Å²	81	64.8 Å²	64.8	38%	0.375	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.2	177.1	82.7	-21.4	0	0	0	112.2	Y460 D461 D468	Y460-H466 WeakPolarHBondContact CD2-O 3.45Å; D461-H466 PolarHBondContact N-O 3.04Å; D461-H466 PolarHBondContact O-N 3.15Å; H466-D468 IonicContact CE1-OD1 3.89Å
467	M	94.4	Very high	93.7	Very high	34 Å²	34	63.5 Å²	63.5	17%	0.167	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.6	170	-162.3	63.4	70.6	0	0	110.5	F430 L432 F451 W458 R459 Y460	F430-M467 WeakPolarHBondContact O-CE 3.41Å; L432-M467 HydrophobicContact CD2-CE 3.54Å; L432-M467 HydrophobicContact CG-CE 3.77Å; F451-M467 HydrophobicContact CD2-CE 4.45Å; W458-M467 HydrophobicContact CB-CE 4Å; W458-M467 HydrophobicContact CB-SD 3.66Å; W458-M467 HydrophobicContact CG-CE 4.32Å; W458-M467 HydrophobicContact CG-SD 4.28Å; R459-M467 VanDerWaalsContact C-SD 3.51Å; Y460-M467 HydrophobicContact CD2-CE 4.14Å; Y460-M467 HydrophobicContact CD2-SD 4.42Å
468	D	94.4	Very high	93.7	Very high	26 Å²	26	63.4 Å²	63.4	14%	0.139	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.6	147.7	177.8	-86.1	2	0	0	0	112.1	R459 H466 F471	R459-D468 IonicContact CZ-OD2 3.44Å; R459-D468 IonicContact NE-OD2 2.72Å; R459-D468 PolarHBondContact NE-OD2 3.38Å; R459-D468 IonicContact NH2-OD2 2.7Å; R459-D468 PolarHBondContact NH2-OD2 3.17Å; R459-D468 WeakPolarHBondContact O-CB 3.42Å; R459-D468 PolarHBondContact O-N 3.5Å; H466-D468 IonicContact CE1-OD1 3.89Å; D468-F471 HydrophobicContact CB-CD2 3.7Å; D468-F471 HydrophobicContact CB-CE2 3.78Å
469	L	93	Very high	93.5	Very high	167 Å²	167	67.8 Å²	67.8	87%	0.874	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	139.9	175.2	-62.3	177.1	0	0	0	111.8
470	G	91.3	Very high	93.3	Very high	59 Å²	59	67.2 Å²	67.2	61%	0.608	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	26.5	179.9	0	0	0	0	0	114.5	K473	G470-K473 WeakPolarHBondContact O-CE 3.33Å; G470-K473 WeakPolarHBondContact O-CG 3.39Å
471	F	93.8	Very high	93.2	Very high	31 Å²	31	67.9 Å²	67.9	14%	0.136	37%	0.366	C	S	.	.			trans	-119.1	154.4	168.4	-71.1	-86.3	0	0	0	110.5	Y457 R459 D468 K473	Y457-F471 HydrophobicContact CD2-CE1 4.14Å; Y457-F471 HydrophobicContact CE2-CD1 4.4Å; Y457-F471 AromaticContact CE2-CE1 3.64Å; Y457-F471 HydrophobicContact CE2-CE1 3.64Å; R459-F471 HydrophobicContact CB-CD1 4.16Å; R459-F471 HydrophobicContact CB-CD2 4.08Å; R459-F471 HydrophobicContact CB-CE1 3.75Å; R459-F471 HydrophobicContact CB-CE2 3.67Å; R459-F471 HydrophobicContact CB-CG 4.31Å; R459-F471 HydrophobicContact CB-CZ 3.48Å; R459-F471 VanDerWaalsContact CB-CZ 3.48Å; R459-F471 HydrophobicContact CG-CZ 4.44Å; D468-F471 HydrophobicContact CB-CD2 3.7Å; D468-F471 HydrophobicContact CB-CE2 3.78Å; F471-K473 HydrophobicContact CD1-CB 4.18Å; F471-K473 HydrophobicContact CD1-CD 4.02Å; F471-K473 HydrophobicContact CD1-CG 3.73Å; F471-K473 HydrophobicContact CE1-CB 4.28Å; F471-K473 HydrophobicContact CE1-CD 3.6Å; F471-K473 HydrophobicContact CE1-CG 3.83Å; F471-K473 HydrophobicContact CG-CG 4.45Å; F471-K473 HydrophobicContact CZ-CD 4.04Å
472	P	95.7	Very high	93.1	Very high	63 Å²	63	69 Å²	69	41%	0.409	37%	0.374	S	S	.	.			cis	-65.8	162.3	2.4	24.4	-32.3	0	0	0	114.8	Y456 Y457 W458	Y456-P472 HydrophobicContact CD1-CB 4.31Å; Y456-P472 HydrophobicContact CG-CB 4.4Å; Y457-P472 CarbonylContact O-C 3.58Å; Y457-P472 VanDerWaalsContact O-CA 3.29Å; Y457-P472 WeakPolarHBondContact O-CA 3.5Å; W458-P472 HydrophobicContact CD2-CB 3.93Å; W458-P472 HydrophobicContact CE3-CB 4.38Å; W458-P472 HydrophobicContact CG-CB 4.39Å; W458-P472 HydrophobicContact CH2-CB 4.18Å; W458-P472 HydrophobicContact CZ2-CB 3.75Å; W458-P472 HydrophobicContact CZ2-CG 3.89Å; W458-P472 HydrophobicContact CZ3-CB 4.47Å
473	K	95.5	Very high	93	Very high	83 Å²	83	72.3 Å²	72.3	36%	0.361	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.8	169.8	-68	-172.7	-174.9	-175.7	0	110.4	Y456 Y457 G470 F471 L477	Y456-K473 CarbonylContact C-O 3.53Å; Y456-K473 WeakPolarHBondContact CA-O 3.36Å; Y457-K473 HydrophobicContact CD1-CB 4.09Å; Y457-K473 WeakPolarHBondContact CD1-O 3.46Å; Y457-K473 HydrophobicContact CE1-CB 3.54Å; Y457-K473 PolarHBondContact N-O 2.99Å; Y457-K473 PolarHBondContact O-N 2.99Å; G470-K473 WeakPolarHBondContact O-CE 3.33Å; G470-K473 WeakPolarHBondContact O-CG 3.39Å; F471-K473 HydrophobicContact CD1-CB 4.18Å; F471-K473 HydrophobicContact CD1-CD 4.02Å; F471-K473 HydrophobicContact CD1-CG 3.73Å; F471-K473 HydrophobicContact CE1-CB 4.28Å; F471-K473 HydrophobicContact CE1-CD 3.6Å; F471-K473 HydrophobicContact CE1-CG 3.83Å; F471-K473 HydrophobicContact CG-CG 4.45Å; F471-K473 HydrophobicContact CZ-CD 4.04Å; K473-L477 HydrophobicContact CB-CD1 4.19Å; K473-L477 HydrophobicContact CD-CD1 4.3Å
474	D	95	Very high	92.9	Very high	67 Å²	67	71.6 Å²	71.6	36%	0.358	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.6	178.9	-164.5	-57.3	0	0	0	110.9	Y457 T476 L477	Y457-D474 WeakPolarHBondContact CE1-O 3.5Å; D474-T476 VanDerWaalsContact CG-OG1 3.3Å; D474-T476 PolarHBondContact O-N 3.46Å; D474-T476 VanDerWaalsContact OD1-CB 3.3Å; D474-T476 WeakPolarHBondContact OD1-CB 3.42Å; D474-T476 VanDerWaalsContact OD1-CG2 3.31Å; D474-T476 WeakPolarHBondContact OD1-CG2 3.48Å; D474-T476 PolarHBondContact OD1-N 3.29Å; D474-T476 PolarHBondContact OD1-OG1 2.91Å; D474-L477 WeakPolarHBondContact O-CG 3.31Å; D474-L477 PolarHBondContact O-N 3.16Å
475	S	92.9	Very high	93	Very high	14 Å²	14	66.6 Å²	66.6	10%	0.098	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-63.2	-21.7	-179.4	59.2	0	0	0	0	113.7	N455 L477 W478 L483	N455-S475 WeakPolarHBondContact CA-OG 3.35Å; N455-S475 VanDerWaalsContact O-CB 3.27Å; N455-S475 WeakPolarHBondContact O-CB 3.42Å; N455-S475 PolarHBondContact O-N 3.01Å; N455-S475 PolarHBondContact O-OG 3.39Å; S475-L477 PolarHBondContact O-N 3.48Å; S475-W478 WeakPolarHBondContact O-CB 3.4Å; S475-W478 PolarHBondContact O-N 2.86Å; S475-L483 WeakPolarHBondContact OG-CD2 3.12Å
476	T	92.5	Very high	93.1	Very high	90 Å²	90	60.5 Å²	60.5	55%	0.552	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-61.6	-12	175.1	57.2	0	0	0	0	114.2	D474 W478 L483	D474-T476 VanDerWaalsContact CG-OG1 3.3Å; D474-T476 PolarHBondContact O-N 3.46Å; D474-T476 VanDerWaalsContact OD1-CB 3.3Å; D474-T476 WeakPolarHBondContact OD1-CB 3.42Å; D474-T476 VanDerWaalsContact OD1-CG2 3.31Å; D474-T476 WeakPolarHBondContact OD1-CG2 3.48Å; D474-T476 PolarHBondContact OD1-N 3.29Å; D474-T476 PolarHBondContact OD1-OG1 2.91Å; T476-W478 PolarHBondContact O-N 2.98Å; T476-L483 HydrophobicContact CG2-CD2 3.86Å
477	L	93.2	Very high	93.2	Very high	92 Å²	92	56.7 Å²	56.7	48%	0.482	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-63.8	-23.9	167.9	-64.9	177.9	0	0	0	112.9	Y457 K473 D474 S475 K479	Y457-L477 HydrophobicContact CE1-CB 4.46Å; Y457-L477 HydrophobicContact CE1-CD1 4.28Å; K473-L477 HydrophobicContact CB-CD1 4.19Å; K473-L477 HydrophobicContact CD-CD1 4.3Å; D474-L477 WeakPolarHBondContact O-CG 3.31Å; D474-L477 PolarHBondContact O-N 3.16Å; S475-L477 PolarHBondContact O-N 3.48Å; L477-K479 PolarHBondContact O-N 3.43Å
478	W	93.9	Very high	93.3	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.015	32%	0.316	C	S	.	.	S	Bend	trans	-86.7	90.7	170.6	-63.2	87.3	0	0	0	109.9	F441 W443 Y450 F452 Y457 S475 T476 L481 F498 V507 M512	F441-W478 HydrophobicContact CE1-CH2 4.49Å; F441-W478 AromaticContact CZ-CH2 3.89Å; F441-W478 HydrophobicContact CZ-CH2 3.89Å; F441-W478 HydrophobicContact CZ-CZ2 4.39Å; F441-W478 HydrophobicContact CZ-CZ3 4.5Å; W443-W478 HydrophobicContact CD2-CH2 4.07Å; W443-W478 AromaticContact CE2-CH2 3.99Å; W443-W478 HydrophobicContact CE3-CH2 4.23Å; W443-W478 HydrophobicContact CH2-CH2 4.16Å; W443-W478 HydrophobicContact CZ2-CH2 4.02Å; W443-W478 HydrophobicContact CZ2-CZ3 4.22Å; W443-W478 HydrophobicContact CZ3-CH2 4.29Å; Y450-W478 AromaticContact CD1-CZ2 3.83Å; Y450-W478 HydrophobicContact CD1-CZ2 3.83Å; Y450-W478 AromaticContact CE1-CZ2 3.79Å; Y450-W478 HydrophobicContact CE1-CZ2 3.79Å; F452-W478 AromaticContact CE1-CD1 3.94Å; F452-W478 AromaticContact CE1-NE1 3.84Å; F452-W478 AromaticContact CZ-CE2 3.97Å; F452-W478 HydrophobicContact CZ-CZ2 4.34Å; F452-W478 AromaticContact CZ-NE1 3.66Å; Y457-W478 AromaticContact CD1-NE1 3.93Å; Y457-W478 AromaticContact CD2-NE1 3.99Å; Y457-W478 AromaticContact CE1-CD1 3.99Å; Y457-W478 AromaticContact CE1-NE1 3.75Å; Y457-W478 AromaticContact CE2-NE1 3.79Å; Y457-W478 AromaticContact CZ-NE1 3.67Å; S475-W478 WeakPolarHBondContact O-CB 3.4Å; S475-W478 PolarHBondContact O-N 2.86Å; T476-W478 PolarHBondContact O-N 2.98Å; W478-L481 HydrophobicContact CB-CB 4.43Å; W478-L481 HydrophobicContact CB-CD1 3.68Å; W478-L481 HydrophobicContact CB-CG 4.11Å; W478-L481 HydrophobicContact CD2-CD1 4.49Å; W478-L481 HydrophobicContact CE3-CD1 4.43Å; W478-L481 HydrophobicContact CG-CD1 4.23Å; W478-L481 PolarHBondContact O-N 2.95Å; W478-F498 HydrophobicContact CD2-CZ 4.45Å; W478-F498 HydrophobicContact CE3-CE2 4.34Å; W478-F498 AromaticContact CE3-CZ 3.91Å; W478-F498 HydrophobicContact CE3-CZ 3.91Å; W478-F498 HydrophobicContact CH2-CZ 4.26Å; W478-F498 HydrophobicContact CZ3-CE2 4.24Å; W478-F498 AromaticContact CZ3-CZ 3.81Å; W478-F498 HydrophobicContact CZ3-CZ 3.81Å; W478-V507 HydrophobicContact CE3-CG1 4.44Å; W478-V507 HydrophobicContact CE3-CG2 4.49Å; W478-V507 HydrophobicContact CZ3-CG1 4.16Å; W478-M512 CarbonylContact C-O 3.51Å; W478-M512 WeakPolarHBondContact CA-O 3.33Å; W478-M512 HydrophobicContact CD2-CB 4.11Å; W478-M512 HydrophobicContact CD2-CG 4.09Å; W478-M512 HydrophobicContact CD2-SD 4.45Å; W478-M512 HydrophobicContact CE3-CB 3.86Å; W478-M512 HydrophobicContact CE3-CG 3.92Å; W478-M512 HydrophobicContact CH2-CE 4.29Å; W478-M512 HydrophobicContact CH2-CG 4.08Å; W478-M512 HydrophobicContact CZ2-CE 3.92Å; W478-M512 HydrophobicContact CZ2-CG 4.26Å; W478-M512 HydrophobicContact CZ2-SD 4.34Å; W478-M512 HydrophobicContact CZ3-CB 4.27Å; W478-M512 HydrophobicContact CZ3-CG 3.91Å
479	K	94.2	Very high	93.3	Very high	107 Å²	107	54 Å²	54	47%	0.465	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-64.3	137.8	-173.7	-56.2	167.4	-172.9	158.6	0	111.4	L477 L481 M512 E513 A514	L477-K479 PolarHBondContact O-N 3.43Å; K479-L481 PolarHBondContact O-N 3.06Å; K479-M512 PolarHBondContact N-O 3.22Å; K479-E513 HydrophobicContact CB-CB 4.28Å; K479-E513 HydrophobicContact CB-CG 4.02Å; K479-E513 HydrophobicContact CD-CB 4.18Å; K479-E513 HydrophobicContact CD-CG 3.96Å; K479-E513 VanDerWaalsContact CD-OE2 3.22Å; K479-E513 WeakPolarHBondContact CD-OE2 3.27Å; K479-E513 IonicContact NZ-OE2 2.62Å; K479-E513 PolarHBondContact NZ-OE2 3.3Å; K479-A514 PolarHBondContact O-N 2.75Å
480	G	91.6	Very high	93.2	Very high	59 Å²	59	48 Å²	48	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-4.4	175.3	0	0	0	0	0	115.1	W505	G480-W505 VanDerWaalsContact O-CD1 3.25Å; G480-W505 PolarHBondContact O-NE1 3.48Å
481	L	94.3	Very high	93.2	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-80.5	152.2	166	-63.1	-169.2	0	0	0	111	W478 K479 F498 W505 V507 A514	W478-L481 HydrophobicContact CB-CB 4.43Å; W478-L481 HydrophobicContact CB-CD1 3.68Å; W478-L481 HydrophobicContact CB-CG 4.11Å; W478-L481 HydrophobicContact CD2-CD1 4.49Å; W478-L481 HydrophobicContact CE3-CD1 4.43Å; W478-L481 HydrophobicContact CG-CD1 4.23Å; W478-L481 PolarHBondContact O-N 2.95Å; K479-L481 PolarHBondContact O-N 3.06Å; L481-F498 HydrophobicContact CD1-CB 4.21Å; L481-F498 HydrophobicContact CD1-CD1 3.56Å; L481-F498 HydrophobicContact CD1-CD2 3.78Å; L481-F498 HydrophobicContact CD1-CE1 3.72Å; L481-F498 HydrophobicContact CD1-CE2 3.94Å; L481-F498 HydrophobicContact CD1-CG 3.58Å; L481-F498 HydrophobicContact CD1-CZ 3.9Å; L481-F498 HydrophobicContact CD2-CB 3.87Å; L481-F498 HydrophobicContact CD2-CD2 3.96Å; L481-F498 HydrophobicContact CD2-CG 3.95Å; L481-F498 HydrophobicContact CG-CG 4.46Å; L481-W505 HydrophobicContact CD2-CB 3.53Å; L481-W505 HydrophobicContact CD2-CG 3.91Å; L481-V507 HydrophobicContact CD1-CG2 4.5Å; L481-V507 HydrophobicContact CD2-CG2 4.1Å; L481-V507 HydrophobicContact CG-CG2 4.46Å; L481-A514 HydrophobicContact CD2-CB 4.21Å
482	P	92.6	Very high	92.7	Very high	35 Å²	35	47.8 Å²	47.8	23%	0.227	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-74	150.6	168.5	32.9	-35.3	0	0	0	111.3	L485 K500 W505	P482-L485 HydrophobicContact CG-CD2 4.06Å; P482-K500 HydrophobicContact CB-CD 3.8Å; P482-K500 HydrophobicContact CG-CB 4.02Å; P482-K500 HydrophobicContact CG-CD 3.79Å; P482-W505 HydrophobicContact CG-CD2 4.44Å; P482-W505 HydrophobicContact CG-CE3 4.18Å; P482-W505 HydrophobicContact CG-CH2 3.82Å; P482-W505 HydrophobicContact CG-CZ2 3.99Å; P482-W505 HydrophobicContact CG-CZ3 3.9Å
483	L	89.8	Confident	92.3	Very high	78 Å²	78	48 Å²	48	41%	0.408	27%	0.266	S	S	.	.	S	Bend	trans	-65.2	150.2	162.6	-61.6	177.8	0	0	0	110.2	S475 T476 K500	S475-L483 WeakPolarHBondContact OG-CD2 3.12Å; T476-L483 HydrophobicContact CG2-CD2 3.86Å; L483-K500 PolarHBondContact O-NZ 2.93Å
484	Q	88.6	Confident	91.8	Very high	101 Å²	101	45.9 Å²	45.9	47%	0.472	27%	0.267	S	S	.	.	S	Bend	trans	54.4	88.4	-177.4	-63.7	172.5	-30.5	0	0	112.6	D454 K500	D454-Q484 PolarHBondContact O-N 2.96Å; Q484-K500 VanDerWaalsContact O-CD 3.27Å; Q484-K500 WeakPolarHBondContact O-CD 3.1Å; Q484-K500 VanDerWaalsContact O-CE 3.26Å; Q484-K500 WeakPolarHBondContact O-CE 3.42Å; Q484-K500 PolarHBondContact O-NZ 3.47Å
485	L	93.1	Very high	91.7	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.084	25%	0.251	C	S	.	.			trans	-80.3	159.3	178.7	-67.2	159.6	0	0	0	111.6	A439 F452 P482 F498	A439-L485 HydrophobicContact CB-CB 4.3Å; F452-L485 HydrophobicContact CD1-CD1 3.89Å; F452-L485 HydrophobicContact CE1-CD1 4.14Å; F452-L485 HydrophobicContact CG-CD1 4.2Å; P482-L485 HydrophobicContact CG-CD2 4.06Å; L485-F498 HydrophobicContact CD1-CD1 3.71Å; L485-F498 HydrophobicContact CD1-CE1 4.26Å; L485-F498 HydrophobicContact CD2-CB 4.02Å; L485-F498 HydrophobicContact CD2-CD1 4.33Å
486	D	92.9	Very high	91.8	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.203	25%	0.247	C	C	.	.	S	Bend	trans	-92.3	-33.2	172	-71.3	29.1	0	0	0	111.8	N341 D438 F499 K500 G501	N341-D486 PolarHBondContact ND2-OD2 3.44Å; D438-D486 CarbonylContact O-C 3.55Å; D486-F499 PolarHBondContact N-O 2.85Å; D486-K500 WeakPolarHBondContact OD1-CG 3.41Å; D486-G501 VanDerWaalsContact CG-N 3.31Å; D486-G501 PolarHBondContact OD1-N 2.78Å; D486-G501 WeakPolarHBondContact OD2-CA 3.19Å; D486-G501 PolarHBondContact OD2-N 3.08Å
487	D	95.5	Very high	92	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-174.6	158.6	-151.7	-14	0	0	0	110.6	A344 V345 A439 V440 F499	A344-D487 WeakPolarHBondContact CA-OD2 3.12Å; A344-D487 WeakPolarHBondContact CB-OD2 3.38Å; V345-D487 HydrophobicContact CB-CB 4.33Å; V345-D487 PolarHBondContact N-OD2 2.71Å; A439-D487 WeakPolarHBondContact CA-OD1 3.43Å; V440-D487 PolarHBondContact N-OD1 2.88Å; D487-F499 PolarHBondContact O-N 3Å
488	A	95.8	Very high	92.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	150.5	167.8	0	0	0	0	0	112.7	A439 F441 Y497 F498	A439-A488 HydrophobicContact CB-CB 4.42Å; F441-A488 HydrophobicContact CB-CB 4Å; F441-A488 VanDerWaalsContact CB-O 3.3Å; F441-A488 WeakPolarHBondContact CB-O 3.4Å; F441-A488 HydrophobicContact CD1-CB 3.71Å; F441-A488 HydrophobicContact CE1-CB 4.46Å; F441-A488 HydrophobicContact CG-CB 4.03Å; A488-Y497 CarbonylContact C-O 3.47Å; A488-Y497 VanDerWaalsContact CA-O 3.23Å; A488-Y497 WeakPolarHBondContact CA-O 3.43Å; A488-F498 HydrophobicContact CB-CD1 3.51Å; A488-F498 HydrophobicContact CB-CE1 3.81Å; A488-F498 HydrophobicContact CB-CG 4.16Å
489	M	94.5	Very high	92.3	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.9	169.2	58.5	159.8	174.7	0	0	113.4	V345 Q347 A352 F354 W491 Y497 F499 W526	V345-M489 HydrophobicContact CG1-CE 3.81Å; V345-M489 HydrophobicContact CG1-CG 4.24Å; V345-M489 HydrophobicContact CG1-SD 4.16Å; V345-M489 WeakPolarHBondContact O-CB 3.47Å; Q347-M489 HydrophobicContact CB-CB 4.45Å; Q347-M489 HydrophobicContact CB-SD 4.08Å; A352-M489 HydrophobicContact CB-CE 4.07Å; A352-M489 HydrophobicContact CB-SD 4.32Å; F354-M489 HydrophobicContact CE2-CE 4.48Å; F354-M489 HydrophobicContact CZ-CE 4.23Å; M489-W491 HydrophobicContact CE-CE3 4.16Å; M489-W491 HydrophobicContact SD-CE3 3.96Å; M489-W491 HydrophobicContact SD-CZ3 4.35Å; M489-Y497 PolarHBondContact N-O 3.01Å; M489-Y497 PolarHBondContact O-N 2.84Å; M489-F499 HydrophobicContact CE-CE2 4.28Å; M489-F499 HydrophobicContact CE-CZ 3.77Å; M489-F499 HydrophobicContact CG-CE2 3.82Å; M489-F499 HydrophobicContact CG-CZ 4.25Å; M489-W526 HydrophobicContact CE-CE3 4.24Å; M489-W526 HydrophobicContact CE-CH2 3.43Å; M489-W526 VanDerWaalsContact CE-CH2 3.43Å; M489-W526 HydrophobicContact CE-CZ2 4.01Å; M489-W526 HydrophobicContact CE-CZ3 3.58Å
490	R	91.2	Very high	92.3	Very high	39 Å²	39	32.1 Å²	32.1	15%	0.147	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	153.4	159.7	54	171.3	164.9	-154.3	-4.3	110.6	Q347 V442 L444 D447	Q347-R490 WeakPolarHBondContact CB-O 3.36Å; Q347-R490 PolarHBondContact OE1-O 3.15Å; V442-R490 VanDerWaalsContact CB-CZ 3.49Å; V442-R490 WeakPolarHBondContact O-CD 3.41Å; L444-R490 HydrophobicContact CD1-CB 4.15Å; L444-R490 HydrophobicContact CG-CB 4.26Å; D447-R490 IonicContact OD1-CZ 2.96Å; D447-R490 IonicContact OD1-NH1 2.66Å; D447-R490 PolarHBondContact OD1-NH1 2.92Å; D447-R490 IonicContact OD1-NH2 2.61Å
491	W	90.3	Very high	92.4	Very high	9 Å²	9	30.5 Å²	30.5	3%	0.034	18%	0.175	C	C	.	.			trans	-127.1	168.6	172.1	-163	-112.5	0	0	0	112.8	Q347 G350 A352 R365 K367 M489 D493 G494 S495 Y497 W526	Q347-W491 HydrophobicContact CB-CE3 4.33Å; Q347-W491 HydrophobicContact CB-CZ3 4.39Å; Q347-W491 HydrophobicContact CG-CE3 4.2Å; Q347-W491 HydrophobicContact CG-CZ3 4.08Å; G350-W491 WeakPolarHBondContact O-CH2 3.38Å; A352-W491 HydrophobicContact CB-CE3 4.42Å; A352-W491 HydrophobicContact CB-CH2 3.76Å; A352-W491 HydrophobicContact CB-CZ3 3.49Å; A352-W491 VanDerWaalsContact CB-CZ3 3.49Å; R365-W491 WeakPolarHBondContact O-CZ2 3.47Å; K367-W491 VanDerWaalsContact CE-NE1 3.28Å; K367-W491 HydrophobicContact CG-CZ2 3.81Å; M489-W491 HydrophobicContact CE-CE3 4.16Å; M489-W491 HydrophobicContact SD-CE3 3.96Å; M489-W491 HydrophobicContact SD-CZ3 4.35Å; W491-D493 PolarHBondContact O-N 3.23Å; W491-D493 VanDerWaalsContact O-N 3.16Å; W491-G494 PolarHBondContact O-N 3.05Å; W491-G494 VanDerWaalsContact O-N 3.13Å; W491-S495 PolarHBondContact N-O 3.02Å; W491-Y497 HydrophobicContact CB-CD2 3.63Å; W491-Y497 HydrophobicContact CB-CE2 3.46Å; W491-Y497 VanDerWaalsContact CB-CE2 3.46Å; W491-Y497 HydrophobicContact CG-CE2 4.11Å; W491-W526 AromaticContact CD2-CH2 3.92Å; W491-W526 HydrophobicContact CD2-CH2 3.92Å; W491-W526 AromaticContact CD2-CZ3 3.96Å; W491-W526 HydrophobicContact CD2-CZ3 3.96Å; W491-W526 HydrophobicContact CE3-CH2 4.26Å; W491-W526 HydrophobicContact CE3-CZ3 4.14Å; W491-W526 HydrophobicContact CG-CH2 4.04Å; W491-W526 HydrophobicContact CH2-CZ3 4.49Å; W491-W526 HydrophobicContact CZ2-CZ3 4.29Å; W491-W526 HydrophobicContact CZ3-CZ3 4.43Å
492	S	83.9	Confident	92.4	Very high	78 Å²	78	34.5 Å²	34.5	55%	0.545	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.2	-177.8	53.1	0	0	0	0	114.9	G494	S492-G494 VanDerWaalsContact C-N 3.31Å
493	D	86.8	Confident	92.5	Very high	68 Å²	68	36.6 Å²	36.6	36%	0.364	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0	173.4	80.4	-38.6	0	0	0	113.3	W491 S495 Y497 R506	W491-D493 PolarHBondContact O-N 3.23Å; W491-D493 VanDerWaalsContact O-N 3.16Å; D493-S495 VanDerWaalsContact C-N 3.33Å; D493-S495 VanDerWaalsContact CG-OG 3.28Å; D493-S495 VanDerWaalsContact OD1-CB 3.29Å; D493-S495 WeakPolarHBondContact OD1-CB 3.34Å; D493-S495 PolarHBondContact OD1-N 2.95Å; D493-S495 PolarHBondContact OD1-OG 3.02Å; D493-S495 WeakPolarHBondContact OD2-CB 3.42Å; D493-S495 PolarHBondContact OD2-OG 2.81Å; D493-Y497 PolarHBondContact OD2-OH 3.05Å; D493-R506 IonicContact OD2-CZ 3.71Å; D493-R506 IonicContact OD2-NE 3.67Å; D493-R506 PolarHBondContact OD2-NE 3.42Å; D493-R506 VanDerWaalsContact OD2-NE 3.11Å; D493-R506 IonicContact OD2-NH2 3.93Å; D493-R506 PolarHBondContact OD2-NH2 2.93Å
494	G	86.1	Confident	92.8	Very high	37 Å²	37	33.2 Å²	33.2	38%	0.381	18%	0.179	S	C	.	.	S	Bend	trans	85.8	-3.1	-176.6	0	0	0	0	0	114.8	W491 S492	W491-G494 PolarHBondContact O-N 3.05Å; W491-G494 VanDerWaalsContact O-N 3.13Å; S492-G494 VanDerWaalsContact C-N 3.31Å
495	S	92.6	Very high	93.2	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.028	16%	0.161	C	C	.	.			trans	-88.8	158.7	-179.6	-51.2	0	0	0	0	112.3	W491 D493 R506	W491-S495 PolarHBondContact N-O 3.02Å; D493-S495 VanDerWaalsContact C-N 3.33Å; D493-S495 VanDerWaalsContact CG-OG 3.28Å; D493-S495 VanDerWaalsContact OD1-CB 3.29Å; D493-S495 WeakPolarHBondContact OD1-CB 3.34Å; D493-S495 PolarHBondContact OD1-N 2.95Å; D493-S495 PolarHBondContact OD1-OG 3.02Å; D493-S495 WeakPolarHBondContact OD2-CB 3.42Å; D493-S495 PolarHBondContact OD2-OG 2.81Å; S495-R506 VanDerWaalsContact OG-CZ 3.3Å; S495-R506 PolarHBondContact OG-NE 3.29Å; S495-R506 PolarHBondContact OG-NH2 3.15Å; S495-R506 VanDerWaalsContact OG-NH2 3.12Å
496	S	95.1	Very high	93.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133	167.6	-51.7	0	0	0	0	109.2	F441 V507	F441-S496 WeakPolarHBondContact CE2-OG 3.49Å; S496-V507 PolarHBondContact N-O 3.48Å; S496-V507 PolarHBondContact O-N 3.37Å
497	Y	95.6	Very high	93.5	Very high	13 Å²	13	29.3 Å²	29.3	5%	0.051	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.6	-178.8	-70.9	-90.4	0	0	0	109.3	A488 M489 W491 D493 F499 Y504 W505 R506 W526	A488-Y497 CarbonylContact C-O 3.47Å; A488-Y497 VanDerWaalsContact CA-O 3.23Å; A488-Y497 WeakPolarHBondContact CA-O 3.43Å; M489-Y497 PolarHBondContact N-O 3.01Å; M489-Y497 PolarHBondContact O-N 2.84Å; W491-Y497 HydrophobicContact CB-CD2 3.63Å; W491-Y497 HydrophobicContact CB-CE2 3.46Å; W491-Y497 VanDerWaalsContact CB-CE2 3.46Å; W491-Y497 HydrophobicContact CG-CE2 4.11Å; D493-Y497 PolarHBondContact OD2-OH 3.05Å; Y497-F499 WeakPolarHBondContact O-CE2 3.12Å; Y497-Y504 AromaticContact CD1-CD2 3.7Å; Y497-Y504 HydrophobicContact CD1-CD2 3.7Å; Y497-Y504 AromaticContact CD1-CE2 3.66Å; Y497-Y504 HydrophobicContact CD1-CE2 3.66Å; Y497-Y504 HydrophobicContact CE1-CD2 4.28Å; Y497-Y504 AromaticContact CE1-CE2 3.75Å; Y497-Y504 HydrophobicContact CE1-CE2 3.75Å; Y497-W505 WeakPolarHBondContact CA-O 3.29Å; Y497-R506 HydrophobicContact CD1-CB 4.02Å; Y497-R506 HydrophobicContact CD1-CG 4.17Å; Y497-R506 HydrophobicContact CE1-CB 3.83Å; Y497-R506 HydrophobicContact CE1-CG 3.7Å; Y497-R506 HydrophobicContact CE2-CG 4.49Å; Y497-R506 WeakPolarHBondContact OH-CD 3.35Å; Y497-R506 PolarHBondContact OH-NE 3.05Å; Y497-W526 AromaticContact CD1-CZ2 3.74Å; Y497-W526 HydrophobicContact CD1-CZ2 3.74Å; Y497-W526 HydrophobicContact CD2-CH2 4.35Å; Y497-W526 HydrophobicContact CD2-CZ2 4.24Å; Y497-W526 AromaticContact CE1-CZ2 3.85Å; Y497-W526 HydrophobicContact CE1-CZ2 3.85Å; Y497-W526 HydrophobicContact CE2-CH2 4.39Å; Y497-W526 HydrophobicContact CE2-CZ2 4.35Å; Y497-W526 HydrophobicContact CG-CH2 4.42Å; Y497-W526 AromaticContact CG-CZ2 3.9Å; Y497-W526 HydrophobicContact CG-CZ2 3.9Å
498	F	96.6	Very high	93.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.5	-173.4	-69.3	-91.9	0	0	0	109	F441 F452 W478 L481 L485 A488 Y504 W505 V507	F441-F498 HydrophobicContact CD1-CE1 4.18Å; F441-F498 HydrophobicContact CD1-CZ 4.37Å; F441-F498 AromaticContact CE1-CE1 3.59Å; F441-F498 HydrophobicContact CE1-CE1 3.59Å; F441-F498 AromaticContact CE1-CZ 3.5Å; F441-F498 HydrophobicContact CE1-CZ 3.5Å; F441-F498 HydrophobicContact CE2-CZ 4.49Å; F441-F498 HydrophobicContact CZ-CE1 4.17Å; F441-F498 HydrophobicContact CZ-CE2 4.44Å; F441-F498 AromaticContact CZ-CZ 3.58Å; F441-F498 HydrophobicContact CZ-CZ 3.58Å; F452-F498 HydrophobicContact CE2-CE1 4.31Å; F452-F498 HydrophobicContact CZ-CE1 4.02Å; W478-F498 HydrophobicContact CD2-CZ 4.45Å; W478-F498 HydrophobicContact CE3-CE2 4.34Å; W478-F498 AromaticContact CE3-CZ 3.91Å; W478-F498 HydrophobicContact CE3-CZ 3.91Å; W478-F498 HydrophobicContact CH2-CZ 4.26Å; W478-F498 HydrophobicContact CZ3-CE2 4.24Å; W478-F498 AromaticContact CZ3-CZ 3.81Å; W478-F498 HydrophobicContact CZ3-CZ 3.81Å; L481-F498 HydrophobicContact CD1-CB 4.21Å; L481-F498 HydrophobicContact CD1-CD1 3.56Å; L481-F498 HydrophobicContact CD1-CD2 3.78Å; L481-F498 HydrophobicContact CD1-CE1 3.72Å; L481-F498 HydrophobicContact CD1-CE2 3.94Å; L481-F498 HydrophobicContact CD1-CG 3.58Å; L481-F498 HydrophobicContact CD1-CZ 3.9Å; L481-F498 HydrophobicContact CD2-CB 3.87Å; L481-F498 HydrophobicContact CD2-CD2 3.96Å; L481-F498 HydrophobicContact CD2-CG 3.95Å; L481-F498 HydrophobicContact CG-CG 4.46Å; L485-F498 HydrophobicContact CD1-CD1 3.71Å; L485-F498 HydrophobicContact CD1-CE1 4.26Å; L485-F498 HydrophobicContact CD2-CB 4.02Å; L485-F498 HydrophobicContact CD2-CD1 4.33Å; A488-F498 HydrophobicContact CB-CD1 3.51Å; A488-F498 HydrophobicContact CB-CE1 3.81Å; A488-F498 HydrophobicContact CB-CG 4.16Å; F498-Y504 CarbonylContact O-C 3.45Å; F498-Y504 WeakPolarHBondContact O-CA 3.4Å; F498-Y504 WeakPolarHBondContact O-CB 3.29Å; F498-W505 HydrophobicContact CB-CB 4.43Å; F498-W505 PolarHBondContact N-O 2.91Å; F498-W505 PolarHBondContact O-N 2.79Å; F498-V507 HydrophobicContact CD2-CB 4.37Å; F498-V507 HydrophobicContact CD2-CG2 3.77Å; F498-V507 HydrophobicContact CE2-CB 3.89Å; F498-V507 HydrophobicContact CE2-CG2 3.54Å
499	F	96.4	Very high	92.7	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.8	-169.2	-58.7	-89.5	0	0	0	111	V345 F354 D486 D487 M489 Y497 Y504 I522	V345-F499 HydrophobicContact CB-CD2 3.86Å; V345-F499 HydrophobicContact CB-CE2 4Å; V345-F499 HydrophobicContact CB-CG 4.24Å; V345-F499 HydrophobicContact CB-CZ 4.44Å; V345-F499 HydrophobicContact CG1-CD2 4.07Å; V345-F499 HydrophobicContact CG1-CE1 4.15Å; V345-F499 HydrophobicContact CG1-CE2 3.71Å; V345-F499 HydrophobicContact CG1-CG 4.49Å; V345-F499 HydrophobicContact CG1-CZ 3.75Å; V345-F499 HydrophobicContact CG2-CB 4.49Å; V345-F499 HydrophobicContact CG2-CD1 4.31Å; V345-F499 HydrophobicContact CG2-CD2 4.19Å; V345-F499 HydrophobicContact CG2-CG 4.05Å; F354-F499 HydrophobicContact CE1-CD1 4.41Å; F354-F499 AromaticContact CE1-CE1 3.95Å; F354-F499 HydrophobicContact CE1-CE1 3.95Å; F354-F499 HydrophobicContact CZ-CE1 4.3Å; D486-F499 PolarHBondContact N-O 2.85Å; D487-F499 PolarHBondContact O-N 3Å; M489-F499 HydrophobicContact CE-CE2 4.28Å; M489-F499 HydrophobicContact CE-CZ 3.77Å; M489-F499 HydrophobicContact CG-CE2 3.82Å; M489-F499 HydrophobicContact CG-CZ 4.25Å; Y497-F499 WeakPolarHBondContact O-CE2 3.12Å; F499-Y504 VanDerWaalsContact CD1-CB 3.49Å; F499-Y504 HydrophobicContact CD1-CG 4.46Å; F499-Y504 HydrophobicContact CE1-CG 4.14Å; F499-I522 HydrophobicContact CD1-CD1 3.79Å; F499-I522 HydrophobicContact CD1-CG1 4Å; F499-I522 HydrophobicContact CE1-CG1 4.43Å
500	K	95.1	Very high	92.2	Very high	64 Å²	64	36 Å²	36	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	124.5	168.1	-170	173.6	-177.9	140.3	0	110.7	P482 L483 Q484 D486 K502 E503 W505	P482-K500 HydrophobicContact CB-CD 3.8Å; P482-K500 HydrophobicContact CG-CB 4.02Å; P482-K500 HydrophobicContact CG-CD 3.79Å; L483-K500 PolarHBondContact O-NZ 2.93Å; Q484-K500 VanDerWaalsContact O-CD 3.27Å; Q484-K500 WeakPolarHBondContact O-CD 3.1Å; Q484-K500 VanDerWaalsContact O-CE 3.26Å; Q484-K500 WeakPolarHBondContact O-CE 3.42Å; Q484-K500 PolarHBondContact O-NZ 3.47Å; D486-K500 WeakPolarHBondContact OD1-CG 3.41Å; K500-K502 PolarHBondContact O-N 2.59Å; K500-E503 PolarHBondContact N-O 2.85Å; K500-E503 PolarHBondContact O-N 3.24Å; K500-E503 VanDerWaalsContact O-O 3.11Å; K500-W505 HydrophobicContact CB-CH2 4.21Å; K500-W505 HydrophobicContact CB-CZ3 3.76Å
501	G	93.8	Very high	91.9	Very high	25 Å²	25	39.8 Å²	39.8	26%	0.258	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-121.5	-177.5	0	0	0	0	0	111.8	N341 D486	N341-G501 WeakPolarHBondContact CA-O 3.16Å; N341-G501 VanDerWaalsContact CB-C 3.45Å; N341-G501 WeakPolarHBondContact CB-O 3.47Å; D486-G501 VanDerWaalsContact CG-N 3.31Å; D486-G501 PolarHBondContact OD1-N 2.78Å; D486-G501 WeakPolarHBondContact OD2-CA 3.19Å; D486-G501 PolarHBondContact OD2-N 3.08Å
502	K	93.6	Very high	92	Very high	110 Å²	110	41.3 Å²	41.3	48%	0.478	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4	178.9	-47.1	-167	-165.2	-163.7	0	112.9	T339 K500 I522	T339-K502 WeakPolarHBondContact O-CE 3.43Å; T339-K502 PolarHBondContact O-NZ 2.87Å; K500-K502 PolarHBondContact O-N 2.59Å; K502-I522 WeakPolarHBondContact O-CG1 3.34Å; K502-I522 PolarHBondContact O-N 3.15Å
503	E	95.6	Very high	92.5	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	153.5	-169.7	-68	-173.3	140.6	0	0	111.7	K500 W505 P519 R520 L521	K500-E503 PolarHBondContact N-O 2.85Å; K500-E503 PolarHBondContact O-N 3.24Å; K500-E503 VanDerWaalsContact O-O 3.11Å; E503-W505 HydrophobicContact CB-CH2 3.75Å; E503-W505 HydrophobicContact CB-CZ3 3.8Å; E503-P519 HydrophobicContact CB-CB 3.82Å; E503-P519 HydrophobicContact CG-CB 4.08Å; E503-R520 CarbonylContact C-O 3.52Å; E503-R520 VanDerWaalsContact CA-O 3.31Å; E503-R520 WeakPolarHBondContact CA-O 3.29Å; E503-L521 HydrophobicContact CG-CD2 4.31Å
504	Y	96.6	Very high	92.9	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.1	172.9	79.2	-84.3	0	0	0	112	Y497 F498 F499 Y518 P519 R520 I522 D525 W526	Y497-Y504 AromaticContact CD1-CD2 3.7Å; Y497-Y504 HydrophobicContact CD1-CD2 3.7Å; Y497-Y504 AromaticContact CD1-CE2 3.66Å; Y497-Y504 HydrophobicContact CD1-CE2 3.66Å; Y497-Y504 HydrophobicContact CE1-CD2 4.28Å; Y497-Y504 AromaticContact CE1-CE2 3.75Å; Y497-Y504 HydrophobicContact CE1-CE2 3.75Å; F498-Y504 CarbonylContact O-C 3.45Å; F498-Y504 WeakPolarHBondContact O-CA 3.4Å; F498-Y504 WeakPolarHBondContact O-CB 3.29Å; F499-Y504 VanDerWaalsContact CD1-CB 3.49Å; F499-Y504 HydrophobicContact CD1-CG 4.46Å; F499-Y504 HydrophobicContact CE1-CG 4.14Å; Y504-Y518 HydrophobicContact CD2-CD1 4.44Å; Y504-Y518 HydrophobicContact CD2-CE1 4.16Å; Y504-Y518 HydrophobicContact CE2-CD1 4.17Å; Y504-Y518 AromaticContact CE2-CE1 3.49Å; Y504-Y518 HydrophobicContact CE2-CE1 3.49Å; Y504-Y518 VanDerWaalsContact CE2-CE1 3.49Å; Y504-Y518 AromaticContact CZ-CE1 3.91Å; Y504-Y518 WeakPolarHBondContact O-CD1 3.29Å; Y504-P519 WeakPolarHBondContact O-CA 3.37Å; Y504-R520 HydrophobicContact CD1-CB 4.24Å; Y504-R520 WeakPolarHBondContact CD1-O 3.34Å; Y504-R520 HydrophobicContact CE1-CB 3.59Å; Y504-R520 PolarHBondContact N-O 2.71Å; Y504-R520 PolarHBondContact O-N 3.5Å; Y504-I522 HydrophobicContact CD1-CG1 3.96Å; Y504-I522 HydrophobicContact CG-CG1 4.44Å; Y504-D525 HydrophobicContact CE1-CB 3.91Å; Y504-D525 WeakPolarHBondContact OH-CB 3.2Å; Y504-D525 PolarHBondContact OH-OD2 2.76Å; Y504-W526 AromaticContact CD1-CD1 3.89Å; Y504-W526 AromaticContact CD1-NE1 3.69Å; Y504-W526 AromaticContact CD2-NE1 3.76Å; Y504-W526 AromaticContact CE1-CD1 3.63Å; Y504-W526 AromaticContact CE1-NE1 3.47Å; Y504-W526 AromaticContact CE2-NE1 3.51Å; Y504-W526 AromaticContact CG-NE1 3.85Å; Y504-W526 AromaticContact CZ-CD1 3.96Å; Y504-W526 AromaticContact CZ-NE1 3.38Å
505	W	97.1	Very high	93.3	Very high	22 Å²	22	41.4 Å²	41.4	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.3	177.5	-66.8	-108.5	0	0	0	109.6	G480 L481 P482 Y497 F498 K500 E503 P519	G480-W505 VanDerWaalsContact O-CD1 3.25Å; G480-W505 PolarHBondContact O-NE1 3.48Å; L481-W505 HydrophobicContact CD2-CB 3.53Å; L481-W505 HydrophobicContact CD2-CG 3.91Å; P482-W505 HydrophobicContact CG-CD2 4.44Å; P482-W505 HydrophobicContact CG-CE3 4.18Å; P482-W505 HydrophobicContact CG-CH2 3.82Å; P482-W505 HydrophobicContact CG-CZ2 3.99Å; P482-W505 HydrophobicContact CG-CZ3 3.9Å; Y497-W505 WeakPolarHBondContact CA-O 3.29Å; F498-W505 HydrophobicContact CB-CB 4.43Å; F498-W505 PolarHBondContact N-O 2.91Å; F498-W505 PolarHBondContact O-N 2.79Å; K500-W505 HydrophobicContact CB-CH2 4.21Å; K500-W505 HydrophobicContact CB-CZ3 3.76Å; E503-W505 HydrophobicContact CB-CH2 3.75Å; E503-W505 HydrophobicContact CB-CZ3 3.8Å; W505-P519 HydrophobicContact CD2-CB 4.24Å; W505-P519 HydrophobicContact CH2-CB 3.98Å; W505-P519 HydrophobicContact CH2-CG 4.48Å; W505-P519 HydrophobicContact CZ2-CB 3.6Å; W505-P519 HydrophobicContact CZ2-CG 3.83Å; W505-P519 HydrophobicContact CZ3-CB 4.48Å
506	R	96.1	Very high	93.3	Very high	52 Å²	52	46 Å²	46	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.1	173.4	-175.6	174.5	176.9	-111.1	3.5	109.4	D493 S495 Y497 E515 Y518	D493-R506 IonicContact OD2-CZ 3.71Å; D493-R506 IonicContact OD2-NE 3.67Å; D493-R506 PolarHBondContact OD2-NE 3.42Å; D493-R506 VanDerWaalsContact OD2-NE 3.11Å; D493-R506 IonicContact OD2-NH2 3.93Å; D493-R506 PolarHBondContact OD2-NH2 2.93Å; S495-R506 VanDerWaalsContact OG-CZ 3.3Å; S495-R506 PolarHBondContact OG-NE 3.29Å; S495-R506 PolarHBondContact OG-NH2 3.15Å; S495-R506 VanDerWaalsContact OG-NH2 3.12Å; Y497-R506 HydrophobicContact CD1-CB 4.02Å; Y497-R506 HydrophobicContact CD1-CG 4.17Å; Y497-R506 HydrophobicContact CE1-CB 3.83Å; Y497-R506 HydrophobicContact CE1-CG 3.7Å; Y497-R506 HydrophobicContact CE2-CG 4.49Å; Y497-R506 WeakPolarHBondContact OH-CD 3.35Å; Y497-R506 PolarHBondContact OH-NE 3.05Å; R506-E515 WeakPolarHBondContact CD-OE2 3.3Å; R506-E515 IonicContact CZ-OE2 2.73Å; R506-E515 IonicContact NE-OE2 2.75Å; R506-E515 IonicContact NH1-OE1 2.94Å; R506-E515 PolarHBondContact NH1-OE1 3.38Å; R506-E515 IonicContact NH1-OE2 2.65Å; R506-E515 PolarHBondContact NH1-OE2 3.09Å; R506-E515 WeakPolarHBondContact O-CB 3.43Å; R506-E515 PolarHBondContact O-N 3.3Å; R506-Y518 HydrophobicContact CB-CD1 4.37Å; R506-Y518 HydrophobicContact CB-CD2 4.25Å; R506-Y518 HydrophobicContact CB-CE1 3.85Å; R506-Y518 HydrophobicContact CB-CE2 3.75Å; R506-Y518 VanDerWaalsContact CB-CZ 3.5Å; R506-Y518 WeakPolarHBondContact CD-OH 3.25Å
507	V	95.2	Very high	93	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	107	169.3	177.2	0	0	0	0	107.5	W478 L481 S496 F498	W478-V507 HydrophobicContact CE3-CG1 4.44Å; W478-V507 HydrophobicContact CE3-CG2 4.49Å; W478-V507 HydrophobicContact CZ3-CG1 4.16Å; L481-V507 HydrophobicContact CD1-CG2 4.5Å; L481-V507 HydrophobicContact CD2-CG2 4.1Å; L481-V507 HydrophobicContact CG-CG2 4.46Å; S496-V507 PolarHBondContact N-O 3.48Å; S496-V507 PolarHBondContact O-N 3.37Å; F498-V507 HydrophobicContact CD2-CB 4.37Å; F498-V507 HydrophobicContact CD2-CG2 3.77Å; F498-V507 HydrophobicContact CE2-CB 3.89Å; F498-V507 HydrophobicContact CE2-CG2 3.54Å
508	P	90.3	Very high	92.9	Very high	50 Å²	50	50.7 Å²	50.7	33%	0.325	30%	0.3	S	S	.	.			trans	-78.6	137.7	175.9	31.1	-32.4	0	0	0	110.7	S510 E515	P508-S510 PolarHBondContact O-N 2.93Å; P508-E515 HydrophobicContact CG-CB 4.39Å
509	G	83.9	Confident	92.9	Very high	44 Å²	44	53.3 Å²	53.3	45%	0.454	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	-131.7	170.1	0	0	0	0	0	115.3	W443	W443-G509 PolarHBondContact NE1-O 3.35Å
510	S	85.3	Confident	92.8	Very high	50 Å²	50	58.3 Å²	58.3	35%	0.35	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-9.7	-162	43	0	0	0	0	115.9	W443 P508 M512	W443-S510 WeakPolarHBondContact CH2-O 3.32Å; W443-S510 VanDerWaalsContact CZ2-C 3.49Å; W443-S510 VanDerWaalsContact CZ2-O 3.3Å; W443-S510 WeakPolarHBondContact CZ2-O 3.38Å; P508-S510 PolarHBondContact O-N 2.93Å; S510-M512 PolarHBondContact O-N 3.03Å
511	D	84.8	Confident	92.7	Very high	119 Å²	119	59.4 Å²	59.4	64%	0.636	34%	0.344	S	S	*	.	S	Bend	trans	-97.4	5.5	-150.2	-59.9	-10.3	0	0	0	114.5	E513	D511-E513 PolarHBondContact O-N 2.81Å
512	M	91.9	Very high	92.7	Very high	41 Å²	41	58.3 Å²	58.3	20%	0.202	33%	0.332	C	S	.	.			trans	52.2	37.1	-179.4	-60	-172.7	172.5	0	0	113.6	W443 Y450 W478 K479 S510	W443-M512 HydrophobicContact CE3-CE 4.46Å; W443-M512 HydrophobicContact CH2-CE 3.55Å; W443-M512 HydrophobicContact CH2-CG 3.72Å; W443-M512 HydrophobicContact CZ2-CG 4.27Å; W443-M512 HydrophobicContact CZ3-CE 3.41Å; W443-M512 VanDerWaalsContact CZ3-CE 3.41Å; Y450-M512 HydrophobicContact CE1-CE 4.37Å; W478-M512 CarbonylContact C-O 3.51Å; W478-M512 WeakPolarHBondContact CA-O 3.33Å; W478-M512 HydrophobicContact CD2-CB 4.11Å; W478-M512 HydrophobicContact CD2-CG 4.09Å; W478-M512 HydrophobicContact CD2-SD 4.45Å; W478-M512 HydrophobicContact CE3-CB 3.86Å; W478-M512 HydrophobicContact CE3-CG 3.92Å; W478-M512 HydrophobicContact CH2-CE 4.29Å; W478-M512 HydrophobicContact CH2-CG 4.08Å; W478-M512 HydrophobicContact CZ2-CE 3.92Å; W478-M512 HydrophobicContact CZ2-CG 4.26Å; W478-M512 HydrophobicContact CZ2-SD 4.34Å; W478-M512 HydrophobicContact CZ3-CB 4.27Å; W478-M512 HydrophobicContact CZ3-CG 3.91Å; K479-M512 PolarHBondContact N-O 3.22Å; S510-M512 PolarHBondContact O-N 3.03Å
513	E	94.1	Very high	92.5	Very high	96 Å²	96	54.1 Å²	54.1	45%	0.449	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-134.9	129.4	-176.8	-174	152.7	-167.2	0	0	110.3	K479 D511	K479-E513 HydrophobicContact CB-CB 4.28Å; K479-E513 HydrophobicContact CB-CG 4.02Å; K479-E513 HydrophobicContact CD-CB 4.18Å; K479-E513 HydrophobicContact CD-CG 3.96Å; K479-E513 VanDerWaalsContact CD-OE2 3.22Å; K479-E513 WeakPolarHBondContact CD-OE2 3.27Å; K479-E513 IonicContact NZ-OE2 2.62Å; K479-E513 PolarHBondContact NZ-OE2 3.3Å; D511-E513 PolarHBondContact O-N 2.81Å
514	A	94.9	Very high	92.2	Very high	21 Å²	21	55.5 Å²	55.5	17%	0.174	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-69.1	139.5	178.7	0	0	0	0	0	111.4	K479 L481	K479-A514 PolarHBondContact O-N 2.75Å; L481-A514 HydrophobicContact CD2-CB 4.21Å
515	E	95	Very high	91.8	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.1	144.4	178.8	-174.1	173.3	-141	0	0	111.6	R506 P508 Y518	R506-E515 WeakPolarHBondContact CD-OE2 3.3Å; R506-E515 IonicContact CZ-OE2 2.73Å; R506-E515 IonicContact NE-OE2 2.75Å; R506-E515 IonicContact NH1-OE1 2.94Å; R506-E515 PolarHBondContact NH1-OE1 3.38Å; R506-E515 IonicContact NH1-OE2 2.65Å; R506-E515 PolarHBondContact NH1-OE2 3.09Å; R506-E515 WeakPolarHBondContact O-CB 3.43Å; R506-E515 PolarHBondContact O-N 3.3Å; P508-E515 HydrophobicContact CG-CB 4.39Å; E515-Y518 HydrophobicContact CB-CD2 3.86Å; E515-Y518 HydrophobicContact CB-CE2 3.91Å; E515-Y518 HydrophobicContact CG-CD2 4.35Å; E515-Y518 HydrophobicContact CG-CE2 4.1Å; E515-Y518 WeakPolarHBondContact O-CD2 3.45Å; E515-Y518 WeakPolarHBondContact OE2-CE2 3.33Å
516	A	92.3	Very high	91.4	Very high	101 Å²	101	56.3 Å²	56.3	84%	0.835	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	135.5	176.2	0	0	0	0	0	111
517	G	89.8	Confident	91	Very high	64 Å²	64	53.9 Å²	53.9	66%	0.66	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	14.6	-174.8	0	0	0	0	0	114.8
518	Y	93.3	Very high	90.3	Very high	48 Å²	48	58.7 Å²	58.7	19%	0.188	35%	0.345	C	S	.	.			trans	-112.2	156	166.3	-69.4	-90.5	0	0	0	110.6	Y504 R506 E515 R520	Y504-Y518 HydrophobicContact CD2-CD1 4.44Å; Y504-Y518 HydrophobicContact CD2-CE1 4.16Å; Y504-Y518 HydrophobicContact CE2-CD1 4.17Å; Y504-Y518 AromaticContact CE2-CE1 3.49Å; Y504-Y518 HydrophobicContact CE2-CE1 3.49Å; Y504-Y518 VanDerWaalsContact CE2-CE1 3.49Å; Y504-Y518 AromaticContact CZ-CE1 3.91Å; Y504-Y518 WeakPolarHBondContact O-CD1 3.29Å; R506-Y518 HydrophobicContact CB-CD1 4.37Å; R506-Y518 HydrophobicContact CB-CD2 4.25Å; R506-Y518 HydrophobicContact CB-CE1 3.85Å; R506-Y518 HydrophobicContact CB-CE2 3.75Å; R506-Y518 VanDerWaalsContact CB-CZ 3.5Å; R506-Y518 WeakPolarHBondContact CD-OH 3.25Å; E515-Y518 HydrophobicContact CB-CD2 3.86Å; E515-Y518 HydrophobicContact CB-CE2 3.91Å; E515-Y518 HydrophobicContact CG-CD2 4.35Å; E515-Y518 HydrophobicContact CG-CE2 4.1Å; E515-Y518 WeakPolarHBondContact O-CD2 3.45Å; E515-Y518 WeakPolarHBondContact OE2-CE2 3.33Å; Y518-R520 HydrophobicContact CD1-CB 3.96Å; Y518-R520 HydrophobicContact CD1-CG 3.8Å; Y518-R520 HydrophobicContact CE1-CB 4.06Å; Y518-R520 HydrophobicContact CE1-CG 3.89Å; Y518-R520 HydrophobicContact CG-CG 4.49Å
519	P	95.6	Very high	89.9	Confident	55 Å²	55	57.2 Å²	57.2	36%	0.357	34%	0.336	S	S	.	.			cis	-65.1	160.2	5	23.1	-32.4	0	0	0	115.8	E503 Y504 W505	E503-P519 HydrophobicContact CB-CB 3.82Å; E503-P519 HydrophobicContact CG-CB 4.08Å; Y504-P519 WeakPolarHBondContact O-CA 3.37Å; W505-P519 HydrophobicContact CD2-CB 4.24Å; W505-P519 HydrophobicContact CH2-CB 3.98Å; W505-P519 HydrophobicContact CH2-CG 4.48Å; W505-P519 HydrophobicContact CZ2-CB 3.6Å; W505-P519 HydrophobicContact CZ2-CG 3.83Å; W505-P519 HydrophobicContact CZ3-CB 4.48Å
520	R	94.3	Very high	89.3	Confident	108 Å²	108	61.2 Å²	61.2	41%	0.408	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158.7	169	-74.1	-178.1	62.9	153.3	1	110.7	E503 Y504 Y518 D525	E503-R520 CarbonylContact C-O 3.52Å; E503-R520 VanDerWaalsContact CA-O 3.31Å; E503-R520 WeakPolarHBondContact CA-O 3.29Å; Y504-R520 HydrophobicContact CD1-CB 4.24Å; Y504-R520 WeakPolarHBondContact CD1-O 3.34Å; Y504-R520 HydrophobicContact CE1-CB 3.59Å; Y504-R520 PolarHBondContact N-O 2.71Å; Y504-R520 PolarHBondContact O-N 3.5Å; Y518-R520 HydrophobicContact CD1-CB 3.96Å; Y518-R520 HydrophobicContact CD1-CG 3.8Å; Y518-R520 HydrophobicContact CE1-CB 4.06Å; Y518-R520 HydrophobicContact CE1-CG 3.89Å; Y518-R520 HydrophobicContact CG-CG 4.49Å; R520-D525 WeakPolarHBondContact CB-OD2 3.37Å; R520-D525 IonicContact CZ-OD1 3.07Å; R520-D525 IonicContact CZ-OD2 2.68Å; R520-D525 VanDerWaalsContact CZ-OD2 3.31Å; R520-D525 IonicContact NE-OD1 3.31Å; R520-D525 IonicContact NE-OD2 3.2Å; R520-D525 PolarHBondContact NE-OD2 3.49Å; R520-D525 IonicContact NH2-OD1 2.62Å; R520-D525 PolarHBondContact NH2-OD1 2.58Å; R520-D525 IonicContact NH2-OD2 2.65Å; R520-D525 PolarHBondContact NH2-OD2 2.99Å
521	L	93.7	Very high	87.7	Confident	87 Å²	87	65.8 Å²	65.8	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.3	-174	-67.8	174.5	0	0	0	112.1	E503 A523 K524 D525	E503-L521 HydrophobicContact CG-CD2 4.31Å; L521-A523 VanDerWaalsContact C-N 3.33Å; L521-A523 PolarHBondContact O-N 2.8Å; L521-K524 HydrophobicContact CB-CB 4.12Å; L521-K524 PolarHBondContact O-N 3.16Å; L521-D525 PolarHBondContact O-N 3Å; L521-D525 VanDerWaalsContact O-N 3.16Å
522	I	93.8	Very high	85.4	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-59.3	-45.8	179.2	-57.1	167	0	0	0	110.6	F342 F354 F499 K502 Y504 K524 D525 W526 L527	F342-I522 HydrophobicContact CD2-CD1 4.05Å; F342-I522 HydrophobicContact CD2-CG2 4.23Å; F342-I522 HydrophobicContact CE2-CB 4.47Å; F342-I522 HydrophobicContact CE2-CD1 4.36Å; F342-I522 HydrophobicContact CE2-CG2 3.83Å; F354-I522 HydrophobicContact CD1-CG2 4.12Å; F354-I522 HydrophobicContact CE1-CG2 3.53Å; F354-I522 HydrophobicContact CZ-CG2 4.25Å; F499-I522 HydrophobicContact CD1-CD1 3.79Å; F499-I522 HydrophobicContact CD1-CG1 4Å; F499-I522 HydrophobicContact CE1-CG1 4.43Å; K502-I522 WeakPolarHBondContact O-CG1 3.34Å; K502-I522 PolarHBondContact O-N 3.15Å; Y504-I522 HydrophobicContact CD1-CG1 3.96Å; Y504-I522 HydrophobicContact CG-CG1 4.44Å; I522-K524 VanDerWaalsContact C-N 3.27Å; I522-K524 PolarHBondContact O-N 2.87Å; I522-D525 PolarHBondContact O-N 2.89Å; I522-W526 HydrophobicContact CG2-CB 4.33Å; I522-W526 WeakPolarHBondContact O-CB 3.47Å; I522-W526 PolarHBondContact O-N 2.61Å; I522-L527 HydrophobicContact CG2-CD1 3.83Å; I522-L527 HydrophobicContact CG2-CG 4.24Å; I522-L527 PolarHBondContact O-N 2.86Å
523	A	89.6	Confident	82.7	Confident	21 Å²	21	75.4 Å²	75.4	17%	0.174	41%	0.41	C	S	.	.	H	α-helix	trans	-54.3	-42.2	-179.8	0	0	0	0	0	112.9	C338 L521 L527 L528 C529	C338-A523 WeakPolarHBondContact O-CB 3.37Å; L521-A523 VanDerWaalsContact C-N 3.33Å; L521-A523 PolarHBondContact O-N 2.8Å; A523-L527 CarbonylContact O-C 3.57Å; A523-L527 PolarHBondContact O-N 3.42Å; A523-L528 PolarHBondContact O-N 2.83Å; A523-C529 HydrophobicContact CB-CB 4.02Å; A523-C529 VanDerWaalsContact O-CB 3.27Å; A523-C529 WeakPolarHBondContact O-CB 3.26Å; A523-C529 PolarHBondContact O-N 3.2Å; A523-C529 PolarHBondContact O-SG 2.92Å
524	K	88.7	Confident	79.7	Confident	108 Å²	108	75.9 Å²	75.9	47%	0.47	42%	0.424	S	S	.	.	H	α-helix	trans	-78.6	-45	-175.2	-171.2	169.6	-178	170.3	0	112.6	L521 I522 E531	L521-K524 HydrophobicContact CB-CB 4.12Å; L521-K524 PolarHBondContact O-N 3.16Å; I522-K524 VanDerWaalsContact C-N 3.27Å; I522-K524 PolarHBondContact O-N 2.87Å; K524-E531 IonicContact NZ-OE1 3.49Å; K524-E531 PolarHBondContact NZ-OE1 2.8Å
525	D	88.8	Confident	76.8	Confident	45 Å²	45	82.6 Å²	82.6	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-99.4	-12.5	-167.8	-65.5	-44.5	0	0	0	115	Y504 R520 L521 I522	Y504-D525 HydrophobicContact CE1-CB 3.91Å; Y504-D525 WeakPolarHBondContact OH-CB 3.2Å; Y504-D525 PolarHBondContact OH-OD2 2.76Å; R520-D525 WeakPolarHBondContact CB-OD2 3.37Å; R520-D525 IonicContact CZ-OD1 3.07Å; R520-D525 IonicContact CZ-OD2 2.68Å; R520-D525 VanDerWaalsContact CZ-OD2 3.31Å; R520-D525 IonicContact NE-OD1 3.31Å; R520-D525 IonicContact NE-OD2 3.2Å; R520-D525 PolarHBondContact NE-OD2 3.49Å; R520-D525 IonicContact NH2-OD1 2.62Å; R520-D525 PolarHBondContact NH2-OD1 2.58Å; R520-D525 IonicContact NH2-OD2 2.65Å; R520-D525 PolarHBondContact NH2-OD2 2.99Å; L521-D525 PolarHBondContact O-N 3Å; L521-D525 VanDerWaalsContact O-N 3.16Å; I522-D525 PolarHBondContact O-N 2.89Å
526	W	88.6	Confident	73.7	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.008	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-39.3	176.2	-63.7	89.9	0	0	0	112.9	F354 L363 K367 M489 W491 Y497 Y504 I522	F354-W526 HydrophobicContact CE2-CB 4.24Å; F354-W526 HydrophobicContact CE2-CD2 4.45Å; F354-W526 HydrophobicContact CE2-CE3 4.2Å; F354-W526 HydrophobicContact CZ-CB 3.81Å; F354-W526 AromaticContact CZ-CD2 3.88Å; F354-W526 HydrophobicContact CZ-CD2 3.88Å; F354-W526 HydrophobicContact CZ-CE3 4.05Å; F354-W526 AromaticContact CZ-CG 3.81Å; F354-W526 HydrophobicContact CZ-CG 3.81Å; L363-W526 HydrophobicContact CD2-CB 4.17Å; L363-W526 HydrophobicContact CD2-CE3 3.97Å; L363-W526 WeakPolarHBondContact CD2-O 3.41Å; K367-W526 HydrophobicContact CD-CD2 4.36Å; K367-W526 HydrophobicContact CD-CE3 3.71Å; K367-W526 HydrophobicContact CD-CH2 4.33Å; K367-W526 HydrophobicContact CD-CZ3 3.7Å; K367-W526 HydrophobicContact CG-CE3 4.23Å; K367-W526 HydrophobicContact CG-CZ3 4.13Å; K367-W526 VanDerWaalsContact NZ-CZ3 3.29Å; M489-W526 HydrophobicContact CE-CE3 4.24Å; M489-W526 HydrophobicContact CE-CH2 3.43Å; M489-W526 VanDerWaalsContact CE-CH2 3.43Å; M489-W526 HydrophobicContact CE-CZ2 4.01Å; M489-W526 HydrophobicContact CE-CZ3 3.58Å; W491-W526 AromaticContact CD2-CH2 3.92Å; W491-W526 HydrophobicContact CD2-CH2 3.92Å; W491-W526 AromaticContact CD2-CZ3 3.96Å; W491-W526 HydrophobicContact CD2-CZ3 3.96Å; W491-W526 HydrophobicContact CE3-CH2 4.26Å; W491-W526 HydrophobicContact CE3-CZ3 4.14Å; W491-W526 HydrophobicContact CG-CH2 4.04Å; W491-W526 HydrophobicContact CH2-CZ3 4.49Å; W491-W526 HydrophobicContact CZ2-CZ3 4.29Å; W491-W526 HydrophobicContact CZ3-CZ3 4.43Å; Y497-W526 AromaticContact CD1-CZ2 3.74Å; Y497-W526 HydrophobicContact CD1-CZ2 3.74Å; Y497-W526 HydrophobicContact CD2-CH2 4.35Å; Y497-W526 HydrophobicContact CD2-CZ2 4.24Å; Y497-W526 AromaticContact CE1-CZ2 3.85Å; Y497-W526 HydrophobicContact CE1-CZ2 3.85Å; Y497-W526 HydrophobicContact CE2-CH2 4.39Å; Y497-W526 HydrophobicContact CE2-CZ2 4.35Å; Y497-W526 HydrophobicContact CG-CH2 4.42Å; Y497-W526 AromaticContact CG-CZ2 3.9Å; Y497-W526 HydrophobicContact CG-CZ2 3.9Å; Y504-W526 AromaticContact CD1-CD1 3.89Å; Y504-W526 AromaticContact CD1-NE1 3.69Å; Y504-W526 AromaticContact CD2-NE1 3.76Å; Y504-W526 AromaticContact CE1-CD1 3.63Å; Y504-W526 AromaticContact CE1-NE1 3.47Å; Y504-W526 AromaticContact CE2-NE1 3.51Å; Y504-W526 AromaticContact CG-NE1 3.85Å; Y504-W526 AromaticContact CZ-CD1 3.96Å; Y504-W526 AromaticContact CZ-NE1 3.38Å; I522-W526 HydrophobicContact CG2-CB 4.33Å; I522-W526 WeakPolarHBondContact O-CB 3.47Å; I522-W526 PolarHBondContact O-N 2.61Å
527	L	87.9	Confident	70.8	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	47%	0.469	C	S	.	.	S	Bend	trans	-104.5	12.5	-166.9	-55.1	171.9	0	0	0	114.5	R337 F342 F354 L363 L369 I522 A523 C529	R337-L527 HydrophobicContact CB-CB 4.46Å; R337-L527 HydrophobicContact CB-CD1 4.19Å; R337-L527 HydrophobicContact CG-CB 4.22Å; R337-L527 PolarHBondContact NE-O 3.24Å; R337-L527 VanDerWaalsContact O-CD1 3.29Å; R337-L527 WeakPolarHBondContact O-CD1 3.35Å; F342-L527 HydrophobicContact CE1-CD1 4.15Å; F342-L527 HydrophobicContact CE2-CD1 3.67Å; F342-L527 HydrophobicContact CZ-CD1 3.25Å; F354-L527 HydrophobicContact CD2-CD2 4.15Å; F354-L527 HydrophobicContact CE2-CD2 4.44Å; F354-L527 HydrophobicContact CG-CD2 4.29Å; L363-L527 HydrophobicContact CD1-CD2 4.1Å; L369-L527 HydrophobicContact CD1-CD2 4.27Å; I522-L527 HydrophobicContact CG2-CD1 3.83Å; I522-L527 HydrophobicContact CG2-CG 4.24Å; I522-L527 PolarHBondContact O-N 2.86Å; A523-L527 CarbonylContact O-C 3.57Å; A523-L527 PolarHBondContact O-N 3.42Å; L527-C529 VanDerWaalsContact C-N 3.28Å; L527-C529 PolarHBondContact O-N 2.98Å
528	L	81	Confident	68	Low	102 Å²	102	88.7 Å²	88.7	53%	0.534	48%	0.476	S	S	.	.			trans	53.4	41.9	173.5	-63.2	167.9	0	0	0	113.2	L369 A523	L369-L528 HydrophobicContact CB-CD1 3.95Å; A523-L528 PolarHBondContact O-N 2.83Å
529	C	81	Confident	65	Low	18 Å²	18	93.2 Å²	93.2	12%	0.122	51%	0.509	C	S	.	.			trans	-90.8	108	171.9	-55.4	0	0	0	0	109.8	C338 A523 L527	C338-C529 WeakPolarHBondContact CA-SG 3.3Å; C338-C529 HydrophobicContact CB-CB 3.82Å; C338-C529 WeakPolarHBondContact CB-SG 3.31Å; C338-C529 WeakPolarHBondContact SG-CB 3.49Å; C338-C529 CovalentContact SG-SG 2.04Å; C338-C529 PolarHBondContact SG-SG 2.94Å; A523-C529 HydrophobicContact CB-CB 4.02Å; A523-C529 VanDerWaalsContact O-CB 3.27Å; A523-C529 WeakPolarHBondContact O-CB 3.26Å; A523-C529 PolarHBondContact O-N 3.2Å; A523-C529 PolarHBondContact O-SG 2.92Å; L527-C529 VanDerWaalsContact C-N 3.28Å; L527-C529 PolarHBondContact O-N 2.98Å
530	T	71.6	Confident	61.9	Low	129 Å²	129	99.1 Å²	99.1	79%	0.791	53%	0.532	S	S	*	.			trans	-65.3	154.3	168.1	-13.7	0	0	0	0	110.4	M532	T530-M532 PolarHBondContact O-N 3.19Å
531	E	51.3	Low	58.8	Low	145 Å²	145	98.4 Å²	98.4	68%	0.678	55%	0.549	S	S	*	.			trans	-66.7	96.7	165.5	-76.6	162.8	-149.6	0	0	109	K524 Q533	K524-E531 IonicContact NZ-OE1 3.49Å; K524-E531 PolarHBondContact NZ-OE1 2.8Å; E531-Q533 PolarHBondContact O-N 3.13Å
532	M	36.8	Very low	55.6	Low	179 Å²	179	104 Å²	104	88%	0.882	57%	0.57	S	S	*	*			trans	-61.5	119	163	-64.6	-176.7	76.4	0	0	107	T530 S534	T530-M532 PolarHBondContact O-N 3.19Å; M532-S534 PolarHBondContact O-N 3.35Å
533	Q	34.1	Very low	52.5	Low	184 Å²	184	109.6 Å²	109.6	86%	0.86	61%	0.609	S	S	*	*			trans	-59.2	123.9	177.3	-72.3	178.5	-17	0	0	108.6	E531 D535	E531-Q533 PolarHBondContact O-N 3.13Å; Q533-D535 VanDerWaalsContact C-N 3.32Å; Q533-D535 PolarHBondContact O-N 2.97Å
534	S	32.7	Very low	49.6	Very low	106 Å²	106	114.9 Å²	114.9	74%	0.741	64%	0.639	S	S	*	*			trans	-74.4	87.9	177	53.3	0	0	0	0	109.1	M532 S536	M532-S534 PolarHBondContact O-N 3.35Å; S534-S536 PolarHBondContact O-N 3.24Å
535	D	33.2	Very low	46.7	Very low	162 Å²	162	119.1 Å²	119.1	87%	0.866	66%	0.661	S	S	*	*			trans	-62.8	89.8	163.3	-91.2	-28.6	0	0	0	108.5	Q533	Q533-D535 VanDerWaalsContact C-N 3.32Å; Q533-D535 PolarHBondContact O-N 2.97Å
536	S	28.8	Very low	43.7	Very low	87 Å²	87	122.9 Å²	122.9	61%	0.608	69%	0.685	S	S	*	*			trans	-148	120.4	173.9	-72.5	0	0	0	0	105.8	S534 D538	S534-S536 PolarHBondContact O-N 3.24Å; S536-D538 PolarHBondContact O-N 2.81Å
537	P	33.1	Very low	40.7	Very low	124 Å²	124	134.3 Å²	134.3	81%	0.805	73%	0.729	S	S	*	*			trans	-63.8	125.7	-171.3	25.3	-33.9	0	0	0	110.5	T539	P537-T539 PolarHBondContact O-N 3.01Å
538	D	29.6	Very low	37.7	Very low	151 Å²	151	139.8 Å²	139.8	81%	0.807	76%	0.762	S	S	*	*			trans	-53.2	114.7	-177	-77.2	-64.2	0	0	0	111.5	S536 E540	S536-D538 PolarHBondContact O-N 2.81Å; D538-E540 HydrophobicContact CB-CG 4.34Å; D538-E540 PolarHBondContact O-N 2.82Å
539	T	32.1	Very low	35.1	Very low	142 Å²	142	141.8 Å²	141.8	87%	0.871	77%	0.773	S	S	*	*			trans	-83.1	70.3	168.6	-54.5	0	0	0	0	108	P537 A541	P537-T539 PolarHBondContact O-N 3.01Å; T539-A541 PolarHBondContact O-N 3.33Å
540	E	28.9	Very low	32.5	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	79%	0.793	S	S	*	*			trans	-54.9	121.9	-179.6	-81.7	-160.3	125.6	0	0	111.2	D538 K542	D538-E540 HydrophobicContact CB-CG 4.34Å; D538-E540 PolarHBondContact O-N 2.82Å; E540-K542 PolarHBondContact O-N 3.48Å
541	A	28.9	Very low	30.4	Very low	93 Å²	93	146.9 Å²	146.9	77%	0.769	79%	0.792	S	S	*	*			trans	-71.3	117.6	175.8	0	0	0	0	0	109.9	T539 S543	T539-A541 PolarHBondContact O-N 3.33Å; A541-S543 PolarHBondContact O-N 2.83Å
542	K	28.2	Very low	29.2	Very low	206 Å²	206	148.6 Å²	148.6	90%	0.896	80%	0.8	S	S	*	*			trans	-58.1	102.7	175.2	-79.8	-178.1	173.3	176.1	0	111.8	E540	E540-K542 PolarHBondContact O-N 3.48Å
543	S	28.6	Very low	28.6	Very low	118 Å²	118	148.1 Å²	148.1	83%	0.825	80%	0.795	S	S	*	*			trans	-85.3	115.3	159	49	0	0	0	0	109.4	A541	A541-S543 PolarHBondContact O-N 2.83Å
544	T	27.1	Very low	28.9	Very low	133 Å²	133	144.3 Å²	144.3	82%	0.816	79%	0.786	S	S	*	*			trans	-82.4	122	173.5	43.4	0	0	0	0	111.1
545	E	28.2	Very low	28.6	Very low	196 Å²	196	145 Å²	145	92%	0.916	78%	0.781	S	S	*	*			trans	-151.7	164.2	146.4	-125	174.7	-148.6	0	0	112.2
546	T	25.5	Very low	28.5	Very low	124 Å²	124	145.7 Å²	145.7	76%	0.761	78%	0.779	S	S	*	*			trans	-126.8	123.1	-150.8	-57.6	0	0	0	0	114.1
547	R	26	Very low	28.5	Very low	243 Å²	243	145.5 Å²	145.5	92%	0.917	78%	0.783	S	S	*	*			trans	-162.5	94.3	161	-126.1	171.4	176.9	156	-0.8	116.9
548	V	25	Very low	28.5	Very low	114 Å²	114	147.4 Å²	147.4	69%	0.691	78%	0.781	S	S	*	*				16.3	126.9	110.3	174.1	0	0	0	0	114.7
549	N	26.4	Very low	28.6	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	78%	0.78	S	S	*	*			cis	-168.8	177.7	17.7	-129.7	5.4	0	0	0	109.7
550	V	27.3	Very low	28.4	Very low	91 Å²	91	143.7 Å²	143.7	55%	0.552	77%	0.772	S	S	*	*			cis	-163.8	158.6	-3.3	77.1	0	0	0	0	110.9
551	H	26.6	Very low	28.5	Very low	163 Å²	163	146.6 Å²	146.6	76%	0.755	78%	0.777	S	S	*	*			trans	63.2	159.1	164.4	-64.6	-21.5	0	0	0	117.9
552	Q	25.5	Very low	28.6	Very low	182 Å²	182	150.6 Å²	150.6	85%	0.85	78%	0.78	S	S	*	*			cis	-150	153.7	12.6	-145.5	159.9	5.2	0	0	112.3
553	H	23.8	Very low	28.8	Very low	169 Å²	169	148 Å²	148	78%	0.782	78%	0.781	S	S	*	*			trans	-91.4	175.7	169.7	-122.4	-33.4	0	0	0	110
554	P	40.3	Very low	28.8	Very low	104 Å²	104	147.3 Å²	147.3	68%	0.675	78%	0.775	S	S	*	*			cis	-147.9	175.3	38.9	43.2	-21.5	0	0	0	119.5
555	D	27.3	Very low	28.9	Very low	120 Å²	120	146.1 Å²	146.1	64%	0.642	77%	0.772	S	S	*	*			trans	48.4	120.1	144.8	-53.3	-16.4	0	0	0	125.4
556	H	30.8	Very low	28.9	Very low	176 Å²	176	143 Å²	143	82%	0.815	77%	0.77	S	S	*	*				166.6	123.6	109.1	-86	-63.7	0	0	0	109.4
557	A	30	Very low	29.3	Very low	84 Å²	84	143.1 Å²	143.1	69%	0.694	77%	0.771	S	S	*	*				70.2	133.4	74.4	0	0	0	0	0	113
558	E	32.3	Very low	29.6	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	77%	0.769	S	S	*	*			cis	-162.9	177.4	10.7	-152.3	171.8	-146.6	0	0	111.9
559	N	31.6	Very low	30	Very low	146 Å²	146	138.9 Å²	138.9	78%	0.781	77%	0.773	S	S	*	*			trans	71.2	125.6	167.7	-54	-55.8	0	0	0	118.4
560	G	28.4	Very low	30.2	Very low	69 Å²	69	138.7 Å²	138.7	71%	0.711	78%	0.777	S	S	*	*			cis	120.9	102.8	-13.7	0	0	0	0	0	115.8
561	Y	30.6	Very low	30.3	Very low	240 Å²	240	138.8 Å²	138.8	94%	0.941	79%	0.788	S	S	*	*			trans	-155	134.9	144.3	40.4	-98.7	0	0	0	110.7
562	E	32	Very low	30.6	Very low	178 Å²	178	136.6 Å²	136.6	83%	0.832	79%	0.79	S	S	*	*			trans	-136.2	134.5	-175.2	178	-175.9	-133.4	0	0	108.6
563	V	32.5	Very low	31.6	Very low	151 Å²	151	133.6 Å²	133.6	92%	0.915	79%	0.787	S	S	*	*			trans	-142.4	137.1	163.7	-175	0	0	0	0	107.3
564	C	27.3	Very low	32	Very low	104 Å²	104	133.6 Å²	133.6	70%	0.703	79%	0.791	S	S	*	*			trans	-136.7	173	-166.1	-165.4	0	0	0	0	111.9
565	S	29.8	Very low	31.5	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	80%	0.798	S	S	*	*			trans	73.3	152.2	175.4	-61	0	0	0	0	115.3
566	C	28.4	Very low	31.7	Very low	129 Å²	129	131.1 Å²	131.1	87%	0.872	80%	0.797	S	S	*	*			cis	-132.7	163.6	28.7	-62.8	0	0	0	0	116.2
567	T	34.1	Very low	31.6	Very low	127 Å²	127	131.9 Å²	131.9	78%	0.779	80%	0.8	S	S	*	*			trans	-94.6	163.5	173	48.7	0	0	0	0	113
568	S	31.9	Very low	31.7	Very low	125 Å²	125	135.6 Å²	135.6	87%	0.874	81%	0.808	S	S	*	*			trans	-162.9	142.5	154.2	-76.7	0	0	0	0	110.6
569	D	32.3	Very low	32.4	Very low	144 Å²	144	133 Å²	133	77%	0.77	81%	0.805	S	S	*	*			trans	-110.9	-176.4	-171.7	-89.8	-66.2	0	0	0	113.3
570	T	31.8	Very low	32.3	Very low	139 Å²	139	133.1 Å²	133.1	85%	0.853	81%	0.805	S	S	*	*			trans	83.9	143.5	160.5	73.3	0	0	0	0	118.1
571	A	28.1	Very low	32.4	Very low	94 Å²	94	138.8 Å²	138.8	78%	0.777	81%	0.81	S	S	*	*			cis	-161.7	166	-15.4	0	0	0	0	0	111.5
572	S	33.7	Very low	33.3	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	80%	0.799	S	S	*	*			trans	-88.9	166.1	167.3	-50.2	0	0	0	0	112.2
573	P	47.6	Very low	33.3	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	79%	0.792	S	S	*	*				-148.3	135.1	110.2	35.5	-18.9	0	0	0	117.5
574	L	31.1	Very low	33.3	Very low	168 Å²	168	132.7 Å²	132.7	88%	0.88	79%	0.788	S	S	*	*			trans	28.6	144.7	134	-70.7	164.3	0	0	0	124.6
575	A	30.1	Very low	33.7	Very low	98 Å²	98	134.3 Å²	134.3	81%	0.81	79%	0.789	S	S	*	*			trans	79.5	146	146	0	0	0	0	0	119.7
576	A	32.1	Very low	33.8	Very low	75 Å²	75	137.1 Å²	137.1	62%	0.62	79%	0.794	S	S	*	*			cis	-169	178.8	-17.4	0	0	0	0	0	111.4
577	H	28.7	Very low	34.2	Very low	192 Å²	192	138 Å²	138	89%	0.889	79%	0.789	S	S	*	*			trans	99	120.8	159.9	-57.7	-77.8	0	0	0	121.2
578	L	31.6	Very low	34.9	Very low	162 Å²	162	137.6 Å²	137.6	85%	0.848	79%	0.789	S	S	*	*			trans	-73.8	168.6	157.8	-85.5	164.5	0	0	0	110.5
579	P	46.6	Very low	35	Very low	108 Å²	108	136.3 Å²	136.3	70%	0.701	78%	0.779	S	S	*	*			cis	-158.6	167.5	49	43.2	-20.3	0	0	0	122.2
580	L	29.7	Very low	35.1	Very low	149 Å²	149	141.2 Å²	141.2	78%	0.78	79%	0.787	S	S	*	*			trans	53.7	126.9	140.2	-63.9	166.8	0	0	0	124.3
581	F	31.5	Very low	35.3	Very low	187 Å²	187	139.5 Å²	139.5	82%	0.82	78%	0.777	S	S	*	*			trans	3.3	159.7	135.8	-66.3	-67.5	0	0	0	121.7
582	P	48.2	Very low	35.7	Very low	111 Å²	111	141.9 Å²	141.9	72%	0.721	78%	0.775	S	S	*	*			cis	-155.3	155.7	38.5	41.9	-19.5	0	0	0	122.6
583	V	32.6	Very low	35.6	Very low	110 Å²	110	142.9 Å²	142.9	67%	0.667	77%	0.771	S	S	*	*				56.2	157	129.5	-172.8	0	0	0	0	123.1
584	W	32.6	Very low	35.1	Very low	220 Å²	220	144.2 Å²	144.2	83%	0.833	77%	0.771	S	S	*	*			trans	108.6	98.4	164.6	-67.4	87.2	0	0	0	114.4
585	L	34.4	Very low	35	Very low	138 Å²	138	142.7 Å²	142.7	72%	0.723	77%	0.769	S	S	*	*				65.5	115.6	69.9	-76.2	170.6	0	0	0	115.4
586	L	32.8	Very low	35.3	Very low	167 Å²	167	147.2 Å²	147.2	87%	0.874	77%	0.771	S	S	*	*				-168.8	150.3	117.9	-104.3	167.9	0	0	0	112.8
587	L	37.2	Very low	36.4	Very low	147 Å²	147	149.4 Å²	149.4	77%	0.77	78%	0.778	S	S	*	*			trans	-88.5	176.6	165.7	-81	151.6	0	0	0	109.8
588	P	49.2	Very low	37	Very low	119 Å²	119	147.2 Å²	147.2	77%	0.773	77%	0.773	S	S	*	*				-130.1	143.5	112.2	36.2	-30.8	0	0	0	113.9
589	C	32.5	Very low	37.5	Very low	99 Å²	99	148.1 Å²	148.1	67%	0.669	77%	0.773	S	S	*	*			trans	-114.5	134	163.1	-179.2	0	0	0	0	107.3
590	W	34	Very low	37.5	Very low	246 Å²	246	150 Å²	150	93%	0.932	78%	0.777	S	S	*	*			trans	-133.6	146	171.1	-93.5	69.9	0	0	0	109.2
591	T	37.7	Very low	37.9	Very low	103 Å²	103	154.5 Å²	154.5	63%	0.632	80%	0.8	S	S	*	*			trans	-142	158.6	-160.2	51.3	0	0	0	0	113.3
592	L	35.6	Very low	38.3	Very low	144 Å²	144	152.9 Å²	152.9	75%	0.754	80%	0.799	S	S	*	*			trans	80.2	125.6	142.9	-82.5	163	0	0	0	121.7
593	L	32.7	Very low	37.7	Very low	137 Å²	137	155.1 Å²	155.1	72%	0.717	80%	0.803	S	S	*	*			trans	95.1	114.2	140.8	-62.3	159.7	0	0	0	121.6
594	L	35.3	Very low	38	Very low	148 Å²	148	157.6 Å²	157.6	78%	0.775	81%	0.811	S	S	*	*				45	130	129.8	-54.4	175.2	0	0	0	119
595	T	31	Very low	38.4	Very low	137 Å²	137	153.9 Å²	153.9	84%	0.84	81%	0.809	S	S	*	*				-162	164.1	69.7	33.5	0	0	0	0	114.9
596	F	35.9	Very low	38.6	Very low	193 Å²	193	154.9 Å²	154.9	85%	0.846	82%	0.815	S	S	*	*			trans	-80.3	160.4	163.7	-90	-78.1	0	0	0	110.7
597	P	53.6	Low	39	Very low	120 Å²	120	154.1 Å²	154.1	78%	0.779	81%	0.811	S	S	*	*				-149.7	-171.8	55.7	43.1	-21.9	0	0	0	118.1
598	N	43.2	Very low	39.1	Very low	147 Å²	147	154.6 Å²	154.6	79%	0.786	81%	0.814	S	S	*	*			trans	-44.4	152.2	172.1	-58.8	-12.4	0	0	0	115.5
599	E	40.6	Very low	38.3	Very low	181 Å²	181	157.3 Å²	157.3	85%	0.846	82%	0.817	S	S	*	*				-157.8	176.6	106.9	-115.7	-167.6	176.4	0	0	113.9
600	L	47.1	Very low	38.8	Very low	147 Å²	147	162.2 Å²	162.2	77%	0.77	83%	0.829	S	S	*	*			trans	-71	145.8	-167.7	-59.5	107.4	0	0	0	115
601	L	39.3	Very low	39.3	Very low	243 Å²	243	154.5 Å²	154.5	100%	1.272	82%	0.82	S	S	*	*				-153.6	0	102.1	-136.8	94	0	0	0	112.1

Retrieved 601 of 601 residues in 141.1 ms (Link to these results)

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