A0A087YEG9_POEFO Loading...

tRNA-t(6)A37 methylthiotransferase

Catalyzes the methylthiolation of N6-threonylcarbamoyladenosine (t(6)A), leading to the formation of 2-methylthio-N6-threonylcarbamoyladenosine (ms(2)t(6)A) at position 37 in tRNAs that read codons beginning with adenine.

AlphaFold DB , UniProt , Accession A0A087YEG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 563 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	21.9	Very low	27.4	Very low	239 Å²	239	138.8 Å²	138.8	100%	1.177	80%	0.804	S	S	*	*				0	145.6	0	-76.8	-162.7	172.6	0	0	108.8
2	P	37.8	Very low	27.9	Very low	127 Å²	127	136.7 Å²	136.7	83%	0.825	79%	0.785	S	S	*	*			cis	-135.4	156.4	-40.1	36	-20.1	0	0	0	112.8
3	S	22.1	Very low	28.5	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	78%	0.779	S	S	*	*			trans	-173.7	103.3	148.1	-170.7	0	0	0	0	106.4
4	A	24.8	Very low	28.7	Very low	88 Å²	88	139.1 Å²	139.1	73%	0.727	78%	0.784	S	S	*	*				58.2	94.8	84.4	0	0	0	0	0	112.3
5	C	25.7	Very low	28.8	Very low	130 Å²	130	141.7 Å²	141.7	88%	0.878	79%	0.789	S	S	*	*			trans	-155.5	101.5	151.9	-92.9	0	0	0	0	107.2	S7	C5-S7 PolarHBondContact O-N 3.38Å
6	D	25	Very low	28.7	Very low	174 Å²	174	141.4 Å²	141.4	93%	0.93	79%	0.792	S	S	*	*			trans	-63.2	115.9	165.6	-78.2	-42.5	0	0	0	108.8
7	S	27.6	Very low	28.8	Very low	93 Å²	93	139.7 Å²	139.7	65%	0.65	79%	0.792	S	S	*	*			trans	-88.8	120.8	177	53.1	0	0	0	0	110.8	C5 I9	C5-S7 PolarHBondContact O-N 3.38Å; S7-I9 PolarHBondContact O-N 2.94Å
8	L	27.7	Very low	29	Very low	167 Å²	167	142.6 Å²	142.6	87%	0.874	79%	0.794	S	S	*	*			trans	-69.4	107.7	162.9	-73.2	160.5	0	0	0	108.4
9	I	27.5	Very low	29.3	Very low	141 Å²	141	142.7 Å²	142.7	72%	0.723	79%	0.794	S	S	*	*			trans	-91.5	111.8	-178.8	-61.2	167.3	0	0	0	108.2	S7	S7-I9 PolarHBondContact O-N 2.94Å
10	E	29.6	Very low	29.7	Very low	136 Å²	136	143.5 Å²	143.5	64%	0.636	80%	0.796	S	S	*	*			trans	-111.5	6.2	179.7	-73.9	-154.7	129.7	0	0	115	K63 F441	E10-K63 IonicContact OE1-NZ 2.74Å; E10-K63 PolarHBondContact OE1-NZ 3.33Å; E10-F441 HydrophobicContact CB-CE2 4.25Å
11	D	31.4	Very low	29.9	Very low	121 Å²	121	142.5 Å²	142.5	65%	0.647	80%	0.796	S	S	*	*			trans	-143.3	148.5	173.6	-149.6	-12.6	0	0	0	112.7
12	I	34	Very low	30.7	Very low	113 Å²	113	136.9 Å²	136.9	58%	0.579	78%	0.776	S	S	*	*			trans	-100.1	6	-158.6	-106.2	171.4	0	0	0	114.8	D14 P108	I12-D14 PolarHBondContact O-N 3.42Å; I12-P108 HydrophobicContact CD1-CB 4.47Å
13	E	35.9	Very low	30.7	Very low	151 Å²	151	137.1 Å²	137.1	71%	0.706	78%	0.777	S	S	*	*	S	Bend	trans	-86.7	89.7	170	-65.7	-170.3	171	0	0	109.6
14	D	30.8	Very low	31.4	Very low	157 Å²	157	140 Å²	140	84%	0.84	78%	0.778	S	S	*	*			trans	145.4	94.5	147.8	-72.8	-24.1	0	0	0	112.1	I12	I12-D14 PolarHBondContact O-N 3.42Å
15	M	29.8	Very low	32.2	Very low	177 Å²	177	143.5 Å²	143.5	87%	0.872	78%	0.784	S	S	*	*			trans	-137.2	101.9	164	-79	-160.8	-63.7	0	0	111
16	V	27.9	Very low	32.7	Very low	137 Å²	137	148.9 Å²	148.9	83%	0.83	79%	0.786	S	S	*	*			trans	-146.8	114.3	132	-168.6	0	0	0	0	108.6
17	S	29.6	Very low	33.2	Very low	113 Å²	113	150.2 Å²	150.2	79%	0.79	79%	0.787	S	S	*	*			trans	-126.5	144.2	160	178.4	0	0	0	0	109.3	N19	S17-N19 PolarHBondContact O-N 2.92Å
18	F	32.9	Very low	33.7	Very low	191 Å²	191	151.7 Å²	151.7	84%	0.838	80%	0.797	S	S	*	*	S	Bend	trans	-93.8	19.7	-152.9	-126.2	-93.5	0	0	0	115.1
19	N	34.8	Very low	34.1	Very low	146 Å²	146	148.5 Å²	148.5	78%	0.781	80%	0.795	S	S	*	*			trans	-128.2	34.5	-162.9	-91.5	-0.2	0	0	0	116.6	S17	S17-N19 PolarHBondContact O-N 2.92Å
20	D	37.1	Very low	34.5	Very low	158 Å²	158	154 Å²	154	85%	0.845	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-85.9	129.5	167.8	-89.4	-25	0	0	0	112
21	P	33	Very low	34.9	Very low	123 Å²	123	156.8 Å²	156.8	80%	0.799	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75	147.4	-178.8	28.1	-32	0	0	0	113.2
22	T	39	Very low	35.1	Very low	121 Å²	121	156.5 Å²	156.5	74%	0.742	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-81.9	162.1	-172.8	48.6	0	0	0	0	114.6	H24	T22-H24 VanDerWaalsContact C-N 3.3Å; T22-H24 PolarHBondContact O-N 3.41Å
23	P	37.3	Very low	35.2	Very low	132 Å²	132	159 Å²	159	86%	0.857	84%	0.837	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	36	-158	-9	27.9	0	0	0	116.1
24	H	37	Very low	35.1	Very low	171 Å²	171	159.2 Å²	159.2	79%	0.792	84%	0.842	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-1.5	-170.6	-114.7	-59.6	0	0	0	118.4	T22	T22-H24 VanDerWaalsContact C-N 3.3Å; T22-H24 PolarHBondContact O-N 3.41Å
25	D	42.3	Very low	35	Very low	161 Å²	161	157.5 Å²	157.5	86%	0.861	84%	0.84	S	S	*	*			trans	-117.1	52.9	-174.9	-76.3	-31.1	0	0	0	115.4
26	R	37.4	Very low	35	Very low	243 Å²	243	160.8 Å²	160.8	92%	0.917	84%	0.842	S	S	*	*			trans	-146.6	74.8	167.2	-71.6	-167.8	-179.7	173	1.5	114.2
27	Q	34.9	Very low	35.3	Very low	203 Å²	203	161.1 Å²	161.1	95%	0.949	85%	0.845	S	S	*	*			trans	-145.6	113.1	156.8	-68.7	-170.7	-1.3	0	0	112.1
28	S	36.8	Very low	35.5	Very low	124 Å²	124	167.5 Å²	167.5	87%	0.867	85%	0.851	S	S	*	*			trans	-141	123.2	144.4	69.2	0	0	0	0	109.5
29	A	37.5	Very low	35.5	Very low	100 Å²	100	168 Å²	168	83%	0.826	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-83.1	129.7	-176.1	0	0	0	0	0	110.7
30	R	36	Very low	35.6	Very low	255 Å²	255	170.9 Å²	170.9	96%	0.962	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-85.3	117.8	166.5	-80.4	-174.6	172.1	176.9	-1.7	109.9
31	K	37.3	Very low	35.4	Very low	195 Å²	195	171.7 Å²	171.7	85%	0.848	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-82.2	142.3	169	-75.4	176	175.2	176.2	0	109.7
32	S	35.3	Very low	35.7	Very low	115 Å²	115	174.3 Å²	174.3	80%	0.804	86%	0.864	S	S	*	*			trans	92.1	112.1	172.8	75.9	0	0	0	0	117.5
33	I	35.6	Very low	35.7	Very low	167 Å²	167	176.6 Å²	176.6	86%	0.856	87%	0.871	S	S	*	*			trans	-103.7	122.9	166.7	-64.9	168.3	0	0	0	106
34	L	33.8	Very low	35.8	Very low	155 Å²	155	175.2 Å²	175.2	81%	0.812	86%	0.864	S	S	*	*			trans	-111.9	122.5	170.6	-72	172.2	0	0	0	109	R36	L34-R36 PolarHBondContact O-N 3.5Å
35	P	30.1	Very low	36	Very low	121 Å²	121	174.4 Å²	174.4	79%	0.786	87%	0.866	S	S	*	*			trans	-77.1	121	179.1	29.7	-30.2	0	0	0	110.1
36	R	30.4	Very low	35.8	Very low	245 Å²	245	175.9 Å²	175.9	93%	0.925	87%	0.867	S	S	*	*			trans	-96.5	110.4	170.1	-107.2	-178.9	169	176.4	-3.5	109.5	L34 R38	L34-R36 PolarHBondContact O-N 3.5Å; R36-R38 PolarHBondContact O-N 3.5Å
37	T	34.2	Very low	35.6	Very low	144 Å²	144	172 Å²	172	88%	0.883	86%	0.86	S	S	*	*			trans	-71.4	113.6	168	10.5	0	0	0	0	109.4
38	R	32.4	Very low	35.7	Very low	247 Å²	247	170 Å²	170	93%	0.932	86%	0.855	S	S	*	*			trans	-84.7	121.5	170.9	-94	-176.7	171.4	177.8	-3	109.8	R36	R36-R38 PolarHBondContact O-N 3.5Å
39	K	34.3	Very low	35.7	Very low	201 Å²	201	173.9 Å²	173.9	87%	0.874	85%	0.85	S	S	*	*			trans	-60.4	139.8	166.3	-89.7	178.9	172.3	179.1	0	109.6	E41	K39-E41 PolarHBondContact O-N 2.79Å
40	K	35.4	Very low	35.8	Very low	207 Å²	207	174.3 Å²	174.3	90%	0.9	84%	0.842	S	S	*	*			trans	-76.3	102.4	176	-156.4	177.3	-173.2	-178.1	0	108.2
41	E	32.7	Very low	36.5	Very low	176 Å²	176	167.7 Å²	167.7	82%	0.822	83%	0.826	S	S	*	*			trans	-83.4	128.8	163.5	-83.1	-179.9	163.1	0	0	108.5	K39 L43	K39-E41 PolarHBondContact O-N 2.79Å; E41-L43 PolarHBondContact O-N 2.85Å
42	L	40.4	Very low	37.2	Very low	177 Å²	177	163 Å²	163	93%	0.927	82%	0.818	S	S	*	*			trans	-68.1	105.5	172.5	-82.8	139.1	0	0	0	108.1	S44	L42-S44 PolarHBondContact O-N 2.76Å
43	L	38.6	Very low	38.7	Very low	169 Å²	169	161.2 Å²	161.2	89%	0.885	80%	0.799	S	S	*	*			trans	-77.6	111.7	167.7	-80.7	159.8	0	0	0	108.7	E41	E41-L43 PolarHBondContact O-N 2.85Å
44	S	40.3	Very low	40.5	Very low	103 Å²	103	158.6 Å²	158.6	72%	0.72	79%	0.786	S	S	*	*			trans	-65	139.8	163.2	50.1	0	0	0	0	110.9	L42	L42-S44 PolarHBondContact O-N 2.76Å
45	N	40.3	Very low	42.7	Very low	154 Å²	154	153.1 Å²	153.1	82%	0.824	76%	0.76	S	S	*	*			trans	60	83.5	170.5	-69.1	-5.1	0	0	0	116	E47	N45-E47 VanDerWaalsContact C-N 3.29Å; N45-E47 PolarHBondContact O-N 3.08Å
46	E	37	Very low	45	Very low	192 Å²	192	147.9 Å²	147.9	90%	0.897	73%	0.728	S	S	*	*			trans	-66.6	94.7	147.8	-78.4	-177.6	155.8	0	0	107.9	L48	E46-L48 PolarHBondContact O-N 3.05Å; E46-L48 VanDerWaalsContact O-N 3.08Å
47	E	34.1	Very low	47.7	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.762	71%	0.709	S	S	*	*			trans	-59.1	109.6	152.8	-78.9	-179.8	166.3	0	0	106.7	N45 R49	N45-E47 VanDerWaalsContact C-N 3.29Å; N45-E47 PolarHBondContact O-N 3.08Å; E47-R49 PolarHBondContact O-N 3.19Å
48	L	37.4	Very low	50.5	Low	160 Å²	160	134.3 Å²	134.3	84%	0.838	67%	0.671	S	S	*	*			trans	-57	89.5	162.5	-87.5	148.6	0	0	0	107.5	E46 V50	E46-L48 PolarHBondContact O-N 3.05Å; E46-L48 VanDerWaalsContact O-N 3.08Å; L48-V50 HydrophobicContact CB-CG2 4.47Å; L48-V50 PolarHBondContact O-N 3.29Å
49	R	36.9	Very low	53.5	Low	205 Å²	205	126.1 Å²	126.1	77%	0.774	64%	0.642	S	S	*	*			trans	-66.7	86.8	158.7	-76.5	-170.8	-178.6	-176.2	0.2	106.4	E47 D51	E47-R49 PolarHBondContact O-N 3.19Å; R49-D51 PolarHBondContact O-N 3.39Å
50	V	39.3	Very low	56.5	Low	109 Å²	109	116.5 Å²	116.5	66%	0.661	60%	0.6	S	S	*	*			trans	-69	83.1	157	-171.6	0	0	0	0	104.6	L48 S52	L48-V50 HydrophobicContact CB-CG2 4.47Å; L48-V50 PolarHBondContact O-N 3.29Å; V50-S52 PolarHBondContact O-N 3.43Å; V50-S52 PolarHBondContact O-OG 3.37Å
51	D	50.2	Low	59.4	Low	117 Å²	117	108.2 Å²	108.2	63%	0.626	56%	0.563	S	S	*	*			trans	-57.3	99.5	164.2	-81.3	-15.3	0	0	0	104.7	R49 L53	R49-D51 PolarHBondContact O-N 3.39Å; D51-L53 HydrophobicContact CB-CD1 4.33Å; D51-L53 HydrophobicContact CB-CG 4.47Å; D51-L53 PolarHBondContact O-N 3.46Å
52	S	53.3	Low	62.4	Low	97 Å²	97	101.6 Å²	101.6	68%	0.678	53%	0.532	S	S	*	.			trans	-70.4	74.6	174	-63.8	0	0	0	0	106.3	V50 I54	V50-S52 PolarHBondContact O-N 3.43Å; V50-S52 PolarHBondContact O-OG 3.37Å; S52-I54 PolarHBondContact O-N 3.01Å
53	L	65.4	Low	65.1	Low	76 Å²	76	96.1 Å²	96.1	40%	0.398	50%	0.501	S	S	.	.			trans	-68.1	88.8	172.2	-88	150.2	0	0	0	106.2	D51 P55 V165	D51-L53 HydrophobicContact CB-CD1 4.33Å; D51-L53 HydrophobicContact CB-CG 4.47Å; D51-L53 PolarHBondContact O-N 3.46Å; L53-P55 WeakPolarHBondContact O-CD 3.32Å; L53-V165 HydrophobicContact CD2-CG1 3.91Å
54	I	74.1	Confident	67.7	Low	112 Å²	112	88.6 Å²	88.6	57%	0.574	46%	0.462	S	S	*	.			trans	-76.6	108.8	171.4	-58.8	172.5	0	0	0	106.4	S52 T57 Q58	S52-I54 PolarHBondContact O-N 3.01Å; I54-T57 PolarHBondContact O-OG1 2.69Å; I54-Q58 PolarHBondContact O-NE2 3.44Å; I54-Q58 PolarHBondContact O-OE1 2.87Å
55	P	79.6	Confident	70.2	Confident	41 Å²	41	85.5 Å²	85.5	27%	0.266	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	153.3	174.5	-19.7	34.9	0	0	0	110.4	L53 D162	L53-P55 WeakPolarHBondContact O-CD 3.32Å; P55-D162 HydrophobicContact CB-CB 4.2Å; P55-D162 WeakPolarHBondContact CB-OD1 3.36Å
56	G	79	Confident	72.5	Confident	11 Å²	11	80.2 Å²	80.2	11%	0.113	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	6.8	-178.8	0	0	0	0	0	115.3	G85 Y86	G56-G85 CarbonylContact O-C 3.56Å; G56-G85 WeakPolarHBondContact O-CA 3.46Å; G56-Y86 PolarHBondContact N-OH 2.9Å; G56-Y86 PolarHBondContact O-N 3.14Å
57	T	87.1	Confident	75	Confident	86 Å²	86	73 Å²	73	53%	0.528	39%	0.387	S	S	.	.	S	Bend	trans	-115.4	-9.1	174.1	56.7	0	0	0	0	113.9	I54	I54-T57 PolarHBondContact O-OG1 2.69Å
58	Q	92.8	Very high	77.8	Confident	18 Å²	18	67.3 Å²	67.3	8%	0.084	37%	0.365	C	S	.	.	S	Bend	trans	-75.4	156.6	-175.1	-69	73.5	53	0	0	112.3	I54 Y86 K87 D96 V165	I54-Q58 PolarHBondContact O-NE2 3.44Å; I54-Q58 PolarHBondContact O-OE1 2.87Å; Q58-Y86 HydrophobicContact CB-CD1 4.16Å; Q58-Y86 HydrophobicContact CB-CE1 4.05Å; Q58-K87 PolarHBondContact O-N 2.87Å; Q58-K87 VanDerWaalsContact O-N 3.08Å; Q58-D96 WeakPolarHBondContact CA-OD2 3.35Å; Q58-D96 HydrophobicContact CB-CB 3.9Å; Q58-D96 WeakPolarHBondContact CB-OD2 3.1Å; Q58-D96 HydrophobicContact CG-CB 4.12Å; Q58-V165 HydrophobicContact CG-CG1 4.16Å; Q58-V165 HydrophobicContact CG-CG2 4.5Å
59	K	95.4	Very high	80.5	Confident	74 Å²	74	59.9 Å²	59.9	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.3	171.1	-72	-178.1	175.6	-175	0	110.5	K87 T89 E94 D96 L97	K59-K87 CarbonylContact C-O 2.88Å; K59-K87 VanDerWaalsContact CA-O 3.26Å; K59-K87 WeakPolarHBondContact CA-O 3.36Å; K59-K87 HydrophobicContact CG-CB 4.26Å; K59-T89 HydrophobicContact CB-CG2 4.23Å; K59-E94 HydrophobicContact CD-CB 4.19Å; K59-E94 WeakPolarHBondContact CD-O 3.46Å; K59-E94 IonicContact NZ-OE2 2.69Å; K59-E94 PolarHBondContact NZ-OE2 2.89Å; K59-D96 PolarHBondContact N-OD2 2.94Å; K59-D96 PolarHBondContact O-N 2.78Å; K59-L97 PolarHBondContact O-N 2.72Å
60	I	96.8	Very high	83.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.9	177.5	-58.4	178.7	0	0	0	109.1	L81 Y86 K87 M88 T89 L97 L99 V161	I60-L81 HydrophobicContact CD1-CB 4.29Å; I60-L81 HydrophobicContact CD1-CD1 3.76Å; I60-L81 HydrophobicContact CD1-CD2 3.83Å; I60-L81 HydrophobicContact CD1-CG 4.17Å; I60-L81 HydrophobicContact CG2-CD1 4.43Å; I60-Y86 HydrophobicContact CD1-CD1 3.5Å; I60-Y86 VanDerWaalsContact CD1-CD1 3.5Å; I60-Y86 HydrophobicContact CD1-CD2 4.16Å; I60-Y86 HydrophobicContact CD1-CE1 4.07Å; I60-Y86 HydrophobicContact CD1-CG 3.53Å; I60-Y86 HydrophobicContact CG1-CD1 3.94Å; I60-Y86 HydrophobicContact CG1-CG 4.32Å; I60-K87 PolarHBondContact N-O 3.22Å; I60-M88 HydrophobicContact CB-CE 4.3Å; I60-M88 HydrophobicContact CB-SD 4.16Å; I60-M88 HydrophobicContact CG2-CE 4.13Å; I60-M88 WeakPolarHBondContact O-CA 3.02Å; I60-T89 PolarHBondContact O-N 3.43Å; I60-L97 WeakPolarHBondContact CA-O 3.36Å; I60-L97 HydrophobicContact CG2-CD2 4.2Å; I60-L99 HydrophobicContact CG2-CB 4.07Å; I60-V161 HydrophobicContact CD1-CG1 3.7Å
61	W	97.1	Very high	85.8	Confident	32 Å²	32	46.5 Å²	46.5	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.3	165.5	178.9	76.5	0	0	0	108.9	K63 T89 E90 P92 A95 L97 W98 L99 L100	W61-K63 HydrophobicContact CH2-CB 3.63Å; W61-K63 HydrophobicContact CH2-CG 4.08Å; W61-K63 HydrophobicContact CZ2-CB 3.8Å; W61-K63 HydrophobicContact CZ2-CD 4.12Å; W61-K63 HydrophobicContact CZ2-CG 4.13Å; W61-K63 HydrophobicContact CZ3-CB 4.03Å; W61-T89 HydrophobicContact CB-CG2 4.04Å; W61-E90 PolarHBondContact NE1-O 3.01Å; W61-P92 HydrophobicContact CD2-CB 3.67Å; W61-P92 HydrophobicContact CE3-CB 3.96Å; W61-P92 HydrophobicContact CG-CB 4.03Å; W61-P92 HydrophobicContact CH2-CB 4.32Å; W61-P92 HydrophobicContact CZ2-CB 4.07Å; W61-P92 HydrophobicContact CZ2-CG 4.33Å; W61-P92 HydrophobicContact CZ3-CB 4.26Å; W61-A95 HydrophobicContact CB-CB 3.42Å; W61-A95 VanDerWaalsContact CB-CB 3.42Å; W61-L97 PolarHBondContact N-O 3.4Å; W61-W98 HydrophobicContact CE3-CB 4.23Å; W61-W98 AromaticContact CE3-CD2 3.54Å; W61-W98 HydrophobicContact CE3-CD2 3.54Å; W61-W98 AromaticContact CE3-CE2 3.9Å; W61-W98 AromaticContact CE3-CE3 3.85Å; W61-W98 HydrophobicContact CE3-CE3 3.85Å; W61-W98 AromaticContact CE3-CG 3.7Å; W61-W98 HydrophobicContact CE3-CG 3.7Å; W61-W98 HydrophobicContact CE3-CZ3 4.49Å; W61-W98 AromaticContact CZ3-CD2 3.67Å; W61-W98 HydrophobicContact CZ3-CD2 3.67Å; W61-W98 AromaticContact CZ3-CE3 3.45Å; W61-W98 HydrophobicContact CZ3-CE3 3.45Å; W61-W98 VanDerWaalsContact CZ3-CE3 3.45Å; W61-W98 HydrophobicContact CZ3-CG 4.24Å; W61-W98 HydrophobicContact CZ3-CH2 4.33Å; W61-W98 HydrophobicContact CZ3-CZ2 4.49Å; W61-W98 AromaticContact CZ3-CZ3 3.81Å; W61-W98 HydrophobicContact CZ3-CZ3 3.81Å; W61-W98 WeakPolarHBondContact O-CA 3.08Å; W61-L99 PolarHBondContact O-N 3.36Å; W61-L100 HydrophobicContact CE3-CD2 4.24Å; W61-L100 HydrophobicContact CZ3-CD2 3.71Å
62	M	95.9	Very high	88	Confident	37 Å²	37	40.9 Å²	40.9	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.8	178.3	-174.9	-175.8	70	0	0	110.3	G74 M77 A78 M88 L99	M62-G74 VanDerWaalsContact CE-O 3.24Å; M62-G74 WeakPolarHBondContact CE-O 3.27Å; M62-G74 VanDerWaalsContact SD-O 3.35Å; M62-M77 HydrophobicContact SD-CB 4.4Å; M62-A78 HydrophobicContact CE-CB 3.69Å; M62-A78 HydrophobicContact SD-CB 4.18Å; M62-M88 HydrophobicContact CB-CE 3.84Å; M62-L99 VanDerWaalsContact CA-O 3.27Å; M62-L99 WeakPolarHBondContact CA-O 3.41Å; M62-L99 HydrophobicContact CB-CB 4.26Å; M62-L99 HydrophobicContact CG-CB 4.14Å; M62-L99 HydrophobicContact CG-CD2 4.02Å; M62-L99 HydrophobicContact CG-CG 4.03Å; M62-L99 WeakPolarHBondContact CG-O 3.36Å; M62-L99 HydrophobicContact SD-CD2 3.89Å; M62-L99 HydrophobicContact SD-CG 4.47Å
63	K	95.5	Very high	90	Very high	62 Å²	62	36.6 Å²	36.6	27%	0.27	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.8	170.5	-166	68.6	167.9	-172.7	0	109.4	E10 W61 W65 L99 L100 N101	E10-K63 IonicContact OE1-NZ 2.74Å; E10-K63 PolarHBondContact OE1-NZ 3.33Å; W61-K63 HydrophobicContact CH2-CB 3.63Å; W61-K63 HydrophobicContact CH2-CG 4.08Å; W61-K63 HydrophobicContact CZ2-CB 3.8Å; W61-K63 HydrophobicContact CZ2-CD 4.12Å; W61-K63 HydrophobicContact CZ2-CG 4.13Å; W61-K63 HydrophobicContact CZ3-CB 4.03Å; K63-W65 HydrophobicContact CB-CH2 3.75Å; K63-W65 HydrophobicContact CB-CZ2 4.03Å; K63-W65 HydrophobicContact CB-CZ3 4.08Å; K63-W65 HydrophobicContact CG-CD2 4.17Å; K63-W65 HydrophobicContact CG-CE3 4.39Å; K63-W65 HydrophobicContact CG-CH2 3.62Å; K63-W65 HydrophobicContact CG-CZ2 3.34Å; K63-W65 HydrophobicContact CG-CZ3 4.12Å; K63-L99 PolarHBondContact N-O 3.09Å; K63-L100 HydrophobicContact CB-CD2 4.29Å; K63-N101 PolarHBondContact O-N 3.16Å
64	T	94.6	Very high	91.4	Very high	11 Å²	11	33 Å²	33	7%	0.067	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.1	177.7	-60.3	0	0	0	0	109.4	N70 N71 N101	T64-N70 WeakPolarHBondContact CG2-O 3.47Å; T64-N71 WeakPolarHBondContact CG2-OD1 3.38Å; T64-N101 WeakPolarHBondContact CA-O 3.36Å; T64-N101 HydrophobicContact CG2-CB 4.07Å; T64-N101 WeakPolarHBondContact CG2-ND2 3.46Å
65	W	92.4	Very high	92.5	Very high	39 Å²	39	27.9 Å²	27.9	15%	0.148	16%	0.161	C	C	.	.			trans	-115.7	144.3	173.5	-60.6	-89.1	0	0	0	111.1	K63 N70 L100 N101 C103 A109 F113 S116	K63-W65 HydrophobicContact CB-CH2 3.75Å; K63-W65 HydrophobicContact CB-CZ2 4.03Å; K63-W65 HydrophobicContact CB-CZ3 4.08Å; K63-W65 HydrophobicContact CG-CD2 4.17Å; K63-W65 HydrophobicContact CG-CE3 4.39Å; K63-W65 HydrophobicContact CG-CH2 3.62Å; K63-W65 HydrophobicContact CG-CZ2 3.34Å; K63-W65 HydrophobicContact CG-CZ3 4.12Å; W65-N70 PolarHBondContact O-ND2 2.88Å; W65-L100 HydrophobicContact CH2-CD2 3.95Å; W65-L100 HydrophobicContact CZ3-CB 4.12Å; W65-L100 HydrophobicContact CZ3-CD2 4.12Å; W65-N101 PolarHBondContact N-O 3.31Å; W65-C103 VanDerWaalsContact O-CB 3.27Å; W65-C103 WeakPolarHBondContact O-CB 3.47Å; W65-C103 PolarHBondContact O-N 2.9Å; W65-A109 HydrophobicContact CB-CB 4.01Å; W65-F113 HydrophobicContact CE3-CB 4.29Å; W65-F113 HydrophobicContact CE3-CD2 4.32Å; W65-F113 HydrophobicContact CZ3-CB 4.39Å; W65-F113 AromaticContact CZ3-CD2 3.98Å; W65-F113 HydrophobicContact CZ3-CD2 3.98Å; W65-S116 WeakPolarHBondContact CH2-OG 3.49Å; W65-S116 WeakPolarHBondContact CZ2-OG 3.5Å
66	G	88.1	Confident	93.3	Very high	43 Å²	43	26 Å²	26	44%	0.443	15%	0.148	S	C	.	.	S	Bend	trans	117.1	-139.2	168	0	0	0	0	0	115.3
67	C	90.8	Very high	94.1	Very high	41 Å²	41	25.5 Å²	25.5	28%	0.277	14%	0.143	S	C	.	.			trans	-81.1	168.6	-170.7	64.8	0	0	0	0	113.9	H69 N70 N71	C67-H69 VanDerWaalsContact C-N 3.32Å; C67-H69 PolarHBondContact O-N 2.79Å; C67-N70 PolarHBondContact O-N 2.92Å; C67-N71 PolarHBondContact O-N 3.06Å; C67-N71 PolarHBondContact O-ND2 3.3Å
68	S	93.3	Very high	94.6	Very high	42 Å²	42	21.6 Å²	21.6	29%	0.294	12%	0.119	S	C	.	.	H	α-helix	trans	-51.7	-44.2	173.6	43.5	0	0	0	0	113.2	N70 N71 S72 T250	S68-N70 VanDerWaalsContact C-N 3.33Å; S68-N70 PolarHBondContact O-N 2.98Å; S68-N71 WeakPolarHBondContact O-CB 3.26Å; S68-N71 PolarHBondContact O-N 3.35Å; S68-S72 PolarHBondContact O-N 3.2Å; S68-T250 WeakPolarHBondContact OG-CB 3.49Å; S68-T250 PolarHBondContact OG-OG1 3.37Å
69	H	93.6	Very high	94.7	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-45.3	175.9	-161.4	161	0	0	0	111.2	C67 N71 S72 D73 N205 R221 T250 E252	C67-H69 VanDerWaalsContact C-N 3.32Å; C67-H69 PolarHBondContact O-N 2.79Å; H69-N71 VanDerWaalsContact C-N 3.32Å; H69-N71 PolarHBondContact O-N 3.01Å; H69-S72 PolarHBondContact O-N 2.83Å; H69-D73 IonicContact CD2-OD1 3.21Å; H69-D73 IonicContact CD2-OD2 2.64Å; H69-D73 PolarHBondContact O-N 2.81Å; H69-N205 PolarHBondContact CE1-O 2.93Å; H69-N205 VanDerWaalsContact CE1-O 3.31Å; H69-R221 PolarHBondContact CD2-NH1 2.79Å; H69-R221 PolarHBondContact CE1-NH1 3.01Å; H69-R221 VanDerWaalsContact CE1-NH1 3.32Å; H69-R221 PolarHBondContact NE2-NH1 3.44Å; H69-T250 HydrophobicContact CB-CG2 4.09Å; H69-T250 PolarHBondContact N-OG1 2.93Å; H69-E252 IonicContact CE1-OE1 2.92Å; H69-E252 IonicContact CE1-OE2 3.8Å; H69-E252 IonicContact CG-OE1 3.47Å; H69-E252 IonicContact ND1-OE1 3.17Å; H69-E252 PolarHBondContact ND1-OE1 2.95Å; H69-E252 IonicContact ND1-OE2 3.36Å
70	N	93.2	Very high	94.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-34.8	178.8	-155.9	51.9	0	0	0	112.2	T64 W65 C67 S68 D73 G74 N101 S102 C103	T64-N70 WeakPolarHBondContact CG2-O 3.47Å; W65-N70 PolarHBondContact O-ND2 2.88Å; C67-N70 PolarHBondContact O-N 2.92Å; S68-N70 VanDerWaalsContact C-N 3.33Å; S68-N70 PolarHBondContact O-N 2.98Å; N70-D73 PolarHBondContact O-N 2.62Å; N70-G74 PolarHBondContact O-N 3.16Å; N70-G74 VanDerWaalsContact O-N 3.07Å; N70-N101 PolarHBondContact O-ND2 3.15Å; N70-N101 PolarHBondContact OD1-ND2 2.88Å; N70-N101 PolarHBondContact OD1-OD1 3.46Å; N70-S102 VanDerWaalsContact ND2-C 3.25Å; N70-S102 PolarHBondContact ND2-O 3.24Å; N70-S102 PolarHBondContact OD1-O 3.36Å; N70-C103 HydrophobicContact CB-CB 4.33Å
71	N	94.8	Very high	94.8	Very high	33 Å²	33	17.9 Å²	17.9	18%	0.176	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-47	172.1	-75.8	-40	0	0	0	111.3	T64 C67 S68 H69 D73 G74 E75 K195 I201	T64-N71 WeakPolarHBondContact CG2-OD1 3.38Å; C67-N71 PolarHBondContact O-N 3.06Å; C67-N71 PolarHBondContact O-ND2 3.3Å; S68-N71 WeakPolarHBondContact O-CB 3.26Å; S68-N71 PolarHBondContact O-N 3.35Å; H69-N71 VanDerWaalsContact C-N 3.32Å; H69-N71 PolarHBondContact O-N 3.01Å; N71-D73 VanDerWaalsContact C-N 3.33Å; N71-D73 PolarHBondContact O-N 3.29Å; N71-G74 CarbonylContact O-C 3.43Å; N71-G74 WeakPolarHBondContact O-CA 3.15Å; N71-G74 PolarHBondContact O-N 3.22Å; N71-E75 WeakPolarHBondContact O-CG 3.38Å; N71-E75 PolarHBondContact O-N 2.96Å; N71-K195 PolarHBondContact OD1-NZ 3.25Å; N71-I201 HydrophobicContact CB-CD1 4.09Å
72	S	95.3	Very high	94.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-43.5	175.6	-178.9	0	0	0	0	112.2	S68 H69 G74 E75 Y76 K192 I201	S68-S72 PolarHBondContact O-N 3.2Å; H69-S72 PolarHBondContact O-N 2.83Å; S72-G74 VanDerWaalsContact C-N 3.25Å; S72-G74 PolarHBondContact O-N 3.08Å; S72-E75 PolarHBondContact O-N 3.3Å; S72-E75 VanDerWaalsContact O-N 3.16Å; S72-Y76 VanDerWaalsContact O-CD2 3.29Å; S72-Y76 WeakPolarHBondContact O-CD2 3.47Å; S72-Y76 PolarHBondContact O-N 2.66Å; S72-K192 PolarHBondContact OG-NZ 3.4Å; S72-I201 PolarHBondContact OG-O 3.23Å
73	D	95.3	Very high	94.5	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.032	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-38.7	174.9	-67.5	-17.6	0	0	0	111.4	H69 N70 N71 M77 I154 R221	H69-D73 IonicContact CD2-OD1 3.21Å; H69-D73 IonicContact CD2-OD2 2.64Å; H69-D73 PolarHBondContact O-N 2.81Å; N70-D73 PolarHBondContact O-N 2.62Å; N71-D73 VanDerWaalsContact C-N 3.33Å; N71-D73 PolarHBondContact O-N 3.29Å; D73-M77 WeakPolarHBondContact O-CG 3.08Å; D73-M77 PolarHBondContact O-N 2.82Å; D73-I154 HydrophobicContact CB-CD1 3.94Å; D73-I154 HydrophobicContact CB-CG2 4.5Å; D73-I154 WeakPolarHBondContact OD1-CD1 3.26Å; D73-R221 IonicContact OD2-CZ 3.82Å; D73-R221 IonicContact OD2-NH1 2.67Å; D73-R221 PolarHBondContact OD2-NH1 2.63Å; D73-R221 IonicContact OD2-NH2 2.69Å; D73-R221 PolarHBondContact OD2-NH2 2.88Å
74	G	95.8	Very high	94.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-45.4	173.1	0	0	0	0	0	112.9	M62 N70 N71 S72 Y76 M77 A78	M62-G74 VanDerWaalsContact CE-O 3.24Å; M62-G74 WeakPolarHBondContact CE-O 3.27Å; M62-G74 VanDerWaalsContact SD-O 3.35Å; N70-G74 PolarHBondContact O-N 3.16Å; N70-G74 VanDerWaalsContact O-N 3.07Å; N71-G74 CarbonylContact O-C 3.43Å; N71-G74 WeakPolarHBondContact O-CA 3.15Å; N71-G74 PolarHBondContact O-N 3.22Å; S72-G74 VanDerWaalsContact C-N 3.25Å; S72-G74 PolarHBondContact O-N 3.08Å; G74-Y76 VanDerWaalsContact C-N 3.34Å; G74-Y76 PolarHBondContact O-N 3.35Å; G74-M77 PolarHBondContact O-N 3.22Å; G74-M77 VanDerWaalsContact O-N 3.16Å; G74-A78 PolarHBondContact O-N 3.41Å
75	E	95.9	Very high	94.3	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.023	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-41.7	178.8	-64.5	-177.7	158.1	0	0	111.9	N71 S72 A78 G79 K192 I193 R194 K195	N71-E75 WeakPolarHBondContact O-CG 3.38Å; N71-E75 PolarHBondContact O-N 2.96Å; S72-E75 PolarHBondContact O-N 3.3Å; S72-E75 VanDerWaalsContact O-N 3.16Å; E75-A78 PolarHBondContact O-N 3.35Å; E75-G79 PolarHBondContact O-N 3.45Å; E75-K192 HydrophobicContact CB-CB 4.29Å; E75-K192 HydrophobicContact CB-CD 3.88Å; E75-K192 HydrophobicContact CB-CG 4.2Å; E75-K192 WeakPolarHBondContact O-CA 3.34Å; E75-K192 IonicContact OE2-NZ 3.36Å; E75-I193 WeakPolarHBondContact CA-O 3.46Å; E75-I193 VanDerWaalsContact CB-O 3.3Å; E75-I193 WeakPolarHBondContact CB-O 3.38Å; E75-I193 VanDerWaalsContact CG-O 3.29Å; E75-I193 WeakPolarHBondContact CG-O 3.38Å; E75-I193 PolarHBondContact O-N 2.98Å; E75-R194 WeakPolarHBondContact OE1-CA 3.49Å; E75-K195 PolarHBondContact OE1-N 2.84Å
76	Y	96.3	Very high	94.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-41.2	172.8	-77.9	-59	0	0	0	112.3	S72 G74 G79 Q80 I154 L188 L190 K192	S72-Y76 VanDerWaalsContact O-CD2 3.29Å; S72-Y76 WeakPolarHBondContact O-CD2 3.47Å; S72-Y76 PolarHBondContact O-N 2.66Å; G74-Y76 VanDerWaalsContact C-N 3.34Å; G74-Y76 PolarHBondContact O-N 3.35Å; Y76-G79 PolarHBondContact O-N 2.83Å; Y76-Q80 VanDerWaalsContact O-CG 3.3Å; Y76-Q80 WeakPolarHBondContact O-CG 3.29Å; Y76-Q80 PolarHBondContact O-N 3.43Å; Y76-Q80 VanDerWaalsContact O-N 3.11Å; Y76-Q80 PolarHBondContact O-NE2 3.39Å; Y76-I154 HydrophobicContact CD2-CD1 4.31Å; Y76-L188 WeakPolarHBondContact OH-CA 3.43Å; Y76-L188 WeakPolarHBondContact OH-CD2 3.42Å; Y76-L188 PolarHBondContact OH-O 3.23Å; Y76-L190 HydrophobicContact CD1-CB 3.67Å; Y76-L190 HydrophobicContact CE1-CB 3.95Å; Y76-L190 WeakPolarHBondContact CE1-O 3.38Å; Y76-K192 HydrophobicContact CD1-CD 4.12Å; Y76-K192 HydrophobicContact CD1-CG 3.39Å; Y76-K192 HydrophobicContact CE1-CD 4.02Å; Y76-K192 HydrophobicContact CE1-CG 3.58Å; Y76-K192 HydrophobicContact CG-CD 4.42Å; Y76-K192 HydrophobicContact CG-CG 3.95Å; Y76-K192 WeakPolarHBondContact OH-CE 3.48Å
77	M	96.9	Very high	94.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-44.4	177.8	-77	-172.2	-67	0	0	111.6	M62 D73 G74 L81 L99 N101 A130 I149 I154 V157	M62-M77 HydrophobicContact SD-CB 4.4Å; D73-M77 WeakPolarHBondContact O-CG 3.08Å; D73-M77 PolarHBondContact O-N 2.82Å; G74-M77 PolarHBondContact O-N 3.22Å; G74-M77 VanDerWaalsContact O-N 3.16Å; M77-L81 WeakPolarHBondContact O-CD1 3.47Å; M77-L81 VanDerWaalsContact O-CG 3.27Å; M77-L81 WeakPolarHBondContact O-CG 3.43Å; M77-L81 PolarHBondContact O-N 3.49Å; M77-L81 VanDerWaalsContact O-N 3.14Å; M77-L99 HydrophobicContact CB-CD2 4.1Å; M77-L99 HydrophobicContact SD-CD2 4.24Å; M77-N101 HydrophobicContact CE-CB 3.9Å; M77-A130 HydrophobicContact CE-CB 3.83Å; M77-A130 HydrophobicContact SD-CB 3.83Å; M77-I149 HydrophobicContact SD-CD1 4.32Å; M77-I154 HydrophobicContact CG-CB 3.97Å; M77-I154 HydrophobicContact CG-CG2 4.37Å; M77-I154 HydrophobicContact SD-CB 4.4Å; M77-I154 HydrophobicContact SD-CG2 4.21Å; M77-V157 HydrophobicContact CB-CB 4.41Å; M77-V157 HydrophobicContact CB-CG1 4.36Å; M77-V157 HydrophobicContact CB-CG2 4.09Å; M77-V157 HydrophobicContact CG-CB 4Å; M77-V157 HydrophobicContact CG-CG1 4.28Å; M77-V157 HydrophobicContact CG-CG2 4Å; M77-V157 HydrophobicContact SD-CG2 4.22Å
78	A	96.6	Very high	95	Very high	3 Å²	3	23.4 Å²	23.4	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-43.3	176.8	0	0	0	0	0	112.4	M62 G74 E75 Q80 L81 A82 M88 I193	M62-A78 HydrophobicContact CE-CB 3.69Å; M62-A78 HydrophobicContact SD-CB 4.18Å; G74-A78 PolarHBondContact O-N 3.41Å; E75-A78 PolarHBondContact O-N 3.35Å; A78-Q80 PolarHBondContact O-N 2.94Å; A78-L81 PolarHBondContact O-N 3.28Å; A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 2.75Å; A78-M88 HydrophobicContact CB-CE 3.95Å; A78-M88 HydrophobicContact CB-SD 4.47Å; A78-I193 HydrophobicContact CB-CB 4.02Å; A78-I193 HydrophobicContact CB-CD1 4.31Å
79	G	96.1	Very high	95	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-44.1	178.7	0	0	0	0	0	113.1	E75 Y76 A82 A83	E75-G79 PolarHBondContact O-N 3.45Å; Y76-G79 PolarHBondContact O-N 2.83Å; G79-A82 PolarHBondContact O-N 3.36Å; G79-A83 VanDerWaalsContact O-CB 3.26Å; G79-A83 WeakPolarHBondContact O-CB 3.1Å; G79-A83 PolarHBondContact O-N 2.57Å
80	Q	96.4	Very high	94.9	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-39.6	177.3	-70.9	174.2	82.4	0	0	113.1	Y76 A78 S84 I154 D155 V157 V158 P191	Y76-Q80 VanDerWaalsContact O-CG 3.3Å; Y76-Q80 WeakPolarHBondContact O-CG 3.29Å; Y76-Q80 PolarHBondContact O-N 3.43Å; Y76-Q80 VanDerWaalsContact O-N 3.11Å; Y76-Q80 PolarHBondContact O-NE2 3.39Å; A78-Q80 PolarHBondContact O-N 2.94Å; Q80-S84 WeakPolarHBondContact O-CB 3.37Å; Q80-S84 PolarHBondContact O-N 3.25Å; Q80-S84 VanDerWaalsContact O-N 3.09Å; Q80-S84 PolarHBondContact O-OG 3.35Å; Q80-I154 PolarHBondContact NE2-O 3.21Å; Q80-D155 VanDerWaalsContact OE1-C 3.25Å; Q80-D155 PolarHBondContact OE1-O 3.44Å; Q80-V157 HydrophobicContact CB-CG1 3.83Å; Q80-V158 HydrophobicContact CB-CG2 4.15Å; Q80-P191 HydrophobicContact CG-CG 3.92Å
81	L	96.4	Very high	95	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-46.4	176.4	-72.7	168.1	0	0	0	111.1	I60 M77 A78 S84 G85 Y86 M88 L99 V157 V158 V161	I60-L81 HydrophobicContact CD1-CB 4.29Å; I60-L81 HydrophobicContact CD1-CD1 3.76Å; I60-L81 HydrophobicContact CD1-CD2 3.83Å; I60-L81 HydrophobicContact CD1-CG 4.17Å; I60-L81 HydrophobicContact CG2-CD1 4.43Å; M77-L81 WeakPolarHBondContact O-CD1 3.47Å; M77-L81 VanDerWaalsContact O-CG 3.27Å; M77-L81 WeakPolarHBondContact O-CG 3.43Å; M77-L81 PolarHBondContact O-N 3.49Å; M77-L81 VanDerWaalsContact O-N 3.14Å; A78-L81 PolarHBondContact O-N 3.28Å; L81-S84 CarbonylContact O-C 3.57Å; L81-S84 WeakPolarHBondContact O-CA 3.07Å; L81-S84 PolarHBondContact O-N 3.38Å; L81-S84 VanDerWaalsContact O-N 3.11Å; L81-G85 PolarHBondContact O-N 3.23Å; L81-Y86 HydrophobicContact CB-CD2 4.31Å; L81-Y86 HydrophobicContact CD2-CD2 3.71Å; L81-Y86 HydrophobicContact CD2-CE2 4.01Å; L81-Y86 HydrophobicContact CD2-CG 4.38Å; L81-Y86 WeakPolarHBondContact O-CB 3.45Å; L81-Y86 PolarHBondContact O-N 3.03Å; L81-M88 HydrophobicContact CB-SD 4.28Å; L81-L99 HydrophobicContact CD1-CD2 3.8Å; L81-V157 HydrophobicContact CD1-CG2 3.86Å; L81-V157 HydrophobicContact CD2-CG2 4.19Å; L81-V157 HydrophobicContact CG-CG1 4.24Å; L81-V157 HydrophobicContact CG-CG2 4.02Å; L81-V158 HydrophobicContact CD2-CG2 4.3Å; L81-V161 HydrophobicContact CD1-CG2 4.37Å; L81-V161 HydrophobicContact CD2-CB 3.86Å; L81-V161 HydrophobicContact CD2-CG1 3.94Å; L81-V161 HydrophobicContact CD2-CG2 3.84Å
82	A	94.7	Very high	95	Very high	25 Å²	25	32.9 Å²	32.9	21%	0.207	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-43.1	177.3	0	0	0	0	0	112.6	A78 G79 S84 G85 Y86 M88 I193 V505	A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 2.75Å; G79-A82 PolarHBondContact O-N 3.36Å; A82-S84 PolarHBondContact O-N 2.88Å; A82-G85 PolarHBondContact O-N 3.28Å; A82-Y86 WeakPolarHBondContact CA-O 3.35Å; A82-M88 HydrophobicContact CB-CG 4.43Å; A82-I193 HydrophobicContact CB-CD1 3.48Å; A82-I193 VanDerWaalsContact CB-CD1 3.48Å; A82-I193 HydrophobicContact CB-CG1 4.47Å; A82-V505 HydrophobicContact CB-CG2 3.63Å
83	A	93.5	Very high	94.9	Very high	55 Å²	55	35.9 Å²	35.9	46%	0.455	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-25.9	174	0	0	0	0	0	112.7	G79 G85 P191	G79-A83 VanDerWaalsContact O-CB 3.26Å; G79-A83 WeakPolarHBondContact O-CB 3.1Å; G79-A83 PolarHBondContact O-N 2.57Å; A83-G85 VanDerWaalsContact C-N 3.33Å; A83-P191 HydrophobicContact CB-CG 4.14Å
84	S	92.8	Very high	94.8	Very high	58 Å²	58	40.4 Å²	40.4	41%	0.406	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.7	176.9	-52.3	0	0	0	0	113.5	Q80 L81 A82 V158	Q80-S84 WeakPolarHBondContact O-CB 3.37Å; Q80-S84 PolarHBondContact O-N 3.25Å; Q80-S84 VanDerWaalsContact O-N 3.09Å; Q80-S84 PolarHBondContact O-OG 3.35Å; L81-S84 CarbonylContact O-C 3.57Å; L81-S84 WeakPolarHBondContact O-CA 3.07Å; L81-S84 PolarHBondContact O-N 3.38Å; L81-S84 VanDerWaalsContact O-N 3.11Å; A82-S84 PolarHBondContact O-N 2.88Å; S84-V158 VanDerWaalsContact OG-CG2 3.28Å; S84-V158 WeakPolarHBondContact OG-CG2 3.43Å
85	G	93.1	Very high	94.8	Very high	42 Å²	42	40.3 Å²	40.3	43%	0.433	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-12.9	174.2	0	0	0	0	0	115.7	G56 L81 A82 A83	G56-G85 CarbonylContact O-C 3.56Å; G56-G85 WeakPolarHBondContact O-CA 3.46Å; L81-G85 PolarHBondContact O-N 3.23Å; A82-G85 PolarHBondContact O-N 3.28Å; A83-G85 VanDerWaalsContact C-N 3.33Å
86	Y	95.1	Very high	94.7	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.027	26%	0.256	C	S	.	.			trans	-63.4	146.7	179.3	-73.6	-78.1	0	0	0	112.1	G56 Q58 I60 L81 A82 V161 D162 V165	G56-Y86 PolarHBondContact N-OH 2.9Å; G56-Y86 PolarHBondContact O-N 3.14Å; Q58-Y86 HydrophobicContact CB-CD1 4.16Å; Q58-Y86 HydrophobicContact CB-CE1 4.05Å; I60-Y86 HydrophobicContact CD1-CD1 3.5Å; I60-Y86 VanDerWaalsContact CD1-CD1 3.5Å; I60-Y86 HydrophobicContact CD1-CD2 4.16Å; I60-Y86 HydrophobicContact CD1-CE1 4.07Å; I60-Y86 HydrophobicContact CD1-CG 3.53Å; I60-Y86 HydrophobicContact CG1-CD1 3.94Å; I60-Y86 HydrophobicContact CG1-CG 4.32Å; L81-Y86 HydrophobicContact CB-CD2 4.31Å; L81-Y86 HydrophobicContact CD2-CD2 3.71Å; L81-Y86 HydrophobicContact CD2-CE2 4.01Å; L81-Y86 HydrophobicContact CD2-CG 4.38Å; L81-Y86 WeakPolarHBondContact O-CB 3.45Å; L81-Y86 PolarHBondContact O-N 3.03Å; A82-Y86 WeakPolarHBondContact CA-O 3.35Å; Y86-V161 HydrophobicContact CE1-CG1 4.03Å; Y86-V161 HydrophobicContact CE2-CG1 4.06Å; Y86-D162 PolarHBondContact OH-OD1 3.43Å; Y86-V165 HydrophobicContact CE1-CG2 4.46Å
87	K	94.1	Very high	94.7	Very high	134 Å²	134	43.8 Å²	43.8	58%	0.583	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.6	178.9	-66.4	-178.3	-178.6	178.2	0	110.3	Q58 K59 I60	Q58-K87 PolarHBondContact O-N 2.87Å; Q58-K87 VanDerWaalsContact O-N 3.08Å; K59-K87 CarbonylContact C-O 2.88Å; K59-K87 VanDerWaalsContact CA-O 3.26Å; K59-K87 WeakPolarHBondContact CA-O 3.36Å; K59-K87 HydrophobicContact CG-CB 4.26Å; I60-K87 PolarHBondContact N-O 3.22Å
88	M	95.1	Very high	94.7	Very high	60 Å²	60	44 Å²	44	30%	0.296	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.8	173	-55.2	-50.9	-62.9	0	0	109.6	I60 M62 A78 L81 A82 I193	I60-M88 HydrophobicContact CB-CE 4.3Å; I60-M88 HydrophobicContact CB-SD 4.16Å; I60-M88 HydrophobicContact CG2-CE 4.13Å; I60-M88 WeakPolarHBondContact O-CA 3.02Å; M62-M88 HydrophobicContact CB-CE 3.84Å; A78-M88 HydrophobicContact CB-CE 3.95Å; A78-M88 HydrophobicContact CB-SD 4.47Å; L81-M88 HydrophobicContact CB-SD 4.28Å; A82-M88 HydrophobicContact CB-CG 4.43Å; M88-I193 HydrophobicContact CG-CD1 3.8Å
89	T	94.1	Very high	94.8	Very high	25 Å²	25	43.9 Å²	43.9	15%	0.153	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.5	175.4	-177.3	0	0	0	0	111	K59 I60 W61 D91 A95	K59-T89 HydrophobicContact CB-CG2 4.23Å; I60-T89 PolarHBondContact O-N 3.43Å; W61-T89 HydrophobicContact CB-CG2 4.04Å; T89-D91 WeakPolarHBondContact CG2-O 3.07Å; T89-D91 PolarHBondContact OG1-N 3.16Å; T89-D91 VanDerWaalsContact OG1-N 3.16Å; T89-A95 HydrophobicContact CG2-CB 3.85Å
90	E	92.3	Very high	94.8	Very high	143 Å²	143	43.9 Å²	43.9	67%	0.668	26%	0.255	S	S	*	.	S	Bend	trans	-86.1	-20.4	171.7	-59.2	-165.1	144.7	0	0	112	W61 P92 K502	W61-E90 PolarHBondContact NE1-O 3.01Å; E90-P92 WeakPolarHBondContact O-CD 3.32Å; E90-K502 WeakPolarHBondContact OE1-CE 3.32Å; E90-K502 IonicContact OE1-NZ 2.94Å; E90-K502 PolarHBondContact OE1-NZ 2.77Å; E90-K502 IonicContact OE2-NZ 2.66Å
91	D	94.4	Very high	94.8	Very high	71 Å²	71	43.2 Å²	43.2	38%	0.38	25%	0.253	S	S	.	.			trans	-90	113.6	178.8	-172.7	-8.1	0	0	0	111.5	T89 A93 E94	T89-D91 WeakPolarHBondContact CG2-O 3.07Å; T89-D91 PolarHBondContact OG1-N 3.16Å; T89-D91 VanDerWaalsContact OG1-N 3.16Å; D91-A93 PolarHBondContact O-N 3.11Å; D91-A93 VanDerWaalsContact OD1-CB 3.29Å; D91-A93 WeakPolarHBondContact OD1-CB 3.37Å; D91-A93 PolarHBondContact OD1-N 3.32Å; D91-E94 HydrophobicContact CB-CB 4.41Å; D91-E94 HydrophobicContact CB-CG 4.14Å; D91-E94 PolarHBondContact O-N 2.95Å
92	P	94.6	Very high	94.7	Very high	39 Å²	39	43.2 Å²	43.2	25%	0.253	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26	175.9	24.1	-33	0	0	0	114.2	W61 E90 W98	W61-P92 HydrophobicContact CD2-CB 3.67Å; W61-P92 HydrophobicContact CE3-CB 3.96Å; W61-P92 HydrophobicContact CG-CB 4.03Å; W61-P92 HydrophobicContact CH2-CB 4.32Å; W61-P92 HydrophobicContact CZ2-CB 4.07Å; W61-P92 HydrophobicContact CZ2-CG 4.33Å; W61-P92 HydrophobicContact CZ3-CB 4.26Å; E90-P92 WeakPolarHBondContact O-CD 3.32Å; P92-W98 HydrophobicContact CB-CH2 4.28Å; P92-W98 HydrophobicContact CB-CZ2 3.6Å; P92-W98 PolarHBondContact O-NE1 2.79Å
93	A	93	Very high	94.4	Very high	64 Å²	64	42 Å²	42	53%	0.529	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-38.8	-178.5	0	0	0	0	0	111.8	D91 A95 K125	D91-A93 PolarHBondContact O-N 3.11Å; D91-A93 VanDerWaalsContact OD1-CB 3.29Å; D91-A93 WeakPolarHBondContact OD1-CB 3.37Å; D91-A93 PolarHBondContact OD1-N 3.32Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 3.49Å; A93-K125 PolarHBondContact O-NZ 3.47Å
94	E	93.4	Very high	93.9	Very high	100 Å²	100	39.5 Å²	39.5	47%	0.467	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.9	179.6	-63	-164.9	162.4	0	0	114.3	K59 D91	K59-E94 HydrophobicContact CD-CB 4.19Å; K59-E94 WeakPolarHBondContact CD-O 3.46Å; K59-E94 IonicContact NZ-OE2 2.69Å; K59-E94 PolarHBondContact NZ-OE2 2.89Å; D91-E94 HydrophobicContact CB-CB 4.41Å; D91-E94 HydrophobicContact CB-CG 4.14Å; D91-E94 PolarHBondContact O-N 2.95Å
95	A	95.6	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.			trans	-76.9	138.4	-175.8	0	0	0	0	0	112.8	W61 T89 A93 K125	W61-A95 HydrophobicContact CB-CB 3.42Å; W61-A95 VanDerWaalsContact CB-CB 3.42Å; T89-A95 HydrophobicContact CG2-CB 3.85Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 3.49Å; A95-K125 WeakPolarHBondContact O-CD 3.45Å; A95-K125 WeakPolarHBondContact O-CE 3.1Å; A95-K125 PolarHBondContact O-NZ 3.49Å
96	D	94.2	Very high	92.2	Very high	80 Å²	80	43.7 Å²	43.7	43%	0.428	23%	0.227	S	C	.	.	S	Bend	trans	-79.4	-29.7	171.2	-58.4	-58.8	0	0	0	111.3	Q58 K59	Q58-D96 WeakPolarHBondContact CA-OD2 3.35Å; Q58-D96 HydrophobicContact CB-CB 3.9Å; Q58-D96 WeakPolarHBondContact CB-OD2 3.1Å; Q58-D96 HydrophobicContact CG-CB 4.12Å; K59-D96 PolarHBondContact N-OD2 2.94Å; K59-D96 PolarHBondContact O-N 2.78Å
97	L	96.1	Very high	91.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.5	-179.2	-175.8	146.5	0	0	0	111.3	K59 I60 W61 L99 K126 V128 V161 A164 V165	K59-L97 PolarHBondContact O-N 2.72Å; I60-L97 WeakPolarHBondContact CA-O 3.36Å; I60-L97 HydrophobicContact CG2-CD2 4.2Å; W61-L97 PolarHBondContact N-O 3.4Å; L97-L99 HydrophobicContact CD2-CB 4.35Å; L97-K126 WeakPolarHBondContact CA-O 3.44Å; L97-K126 HydrophobicContact CB-CB 4.25Å; L97-K126 HydrophobicContact CD1-CB 4.04Å; L97-K126 HydrophobicContact CG-CB 4.13Å; L97-V128 HydrophobicContact CD1-CG2 3.95Å; L97-V128 HydrophobicContact CD2-CB 4.34Å; L97-V128 HydrophobicContact CD2-CG2 4.05Å; L97-V128 HydrophobicContact CG-CG2 4.39Å; L97-V161 HydrophobicContact CD1-CG1 4.12Å; L97-V161 HydrophobicContact CD2-CG1 4.44Å; L97-V161 HydrophobicContact CD2-CG2 4.37Å; L97-A164 HydrophobicContact CD1-CB 3.86Å; L97-V165 HydrophobicContact CD1-CG2 3.92Å
98	W	97.7	Very high	90.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.4	172.9	-71.4	18.5	0	0	0	109.9	W61 P92 L100 K119 A120 K125 K126 V127 V128	W61-W98 HydrophobicContact CE3-CB 4.23Å; W61-W98 AromaticContact CE3-CD2 3.54Å; W61-W98 HydrophobicContact CE3-CD2 3.54Å; W61-W98 AromaticContact CE3-CE2 3.9Å; W61-W98 AromaticContact CE3-CE3 3.85Å; W61-W98 HydrophobicContact CE3-CE3 3.85Å; W61-W98 AromaticContact CE3-CG 3.7Å; W61-W98 HydrophobicContact CE3-CG 3.7Å; W61-W98 HydrophobicContact CE3-CZ3 4.49Å; W61-W98 AromaticContact CZ3-CD2 3.67Å; W61-W98 HydrophobicContact CZ3-CD2 3.67Å; W61-W98 AromaticContact CZ3-CE3 3.45Å; W61-W98 HydrophobicContact CZ3-CE3 3.45Å; W61-W98 VanDerWaalsContact CZ3-CE3 3.45Å; W61-W98 HydrophobicContact CZ3-CG 4.24Å; W61-W98 HydrophobicContact CZ3-CH2 4.33Å; W61-W98 HydrophobicContact CZ3-CZ2 4.49Å; W61-W98 AromaticContact CZ3-CZ3 3.81Å; W61-W98 HydrophobicContact CZ3-CZ3 3.81Å; W61-W98 WeakPolarHBondContact O-CA 3.08Å; P92-W98 HydrophobicContact CB-CH2 4.28Å; P92-W98 HydrophobicContact CB-CZ2 3.6Å; P92-W98 PolarHBondContact O-NE1 2.79Å; W98-L100 HydrophobicContact CB-CD2 4.24Å; W98-L100 HydrophobicContact CB-CG 4.36Å; W98-L100 HydrophobicContact CE3-CD2 4.26Å; W98-K119 HydrophobicContact CH2-CD 4.26Å; W98-K119 HydrophobicContact CH2-CG 4.24Å; W98-A120 HydrophobicContact CD2-CB 3.89Å; W98-A120 HydrophobicContact CE3-CB 3.4Å; W98-A120 VanDerWaalsContact CE3-CB 3.4Å; W98-A120 HydrophobicContact CG-CB 4.47Å; W98-A120 HydrophobicContact CH2-CB 4.47Å; W98-A120 HydrophobicContact CZ3-CB 3.74Å; W98-K125 HydrophobicContact CG-CB 4.48Å; W98-K126 PolarHBondContact N-O 3.36Å; W98-V127 WeakPolarHBondContact O-CA 3.26Å; W98-V128 PolarHBondContact O-N 3.11Å
99	L	97.8	Very high	90	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.1	170.9	178	60.5	0	0	0	109.2	I60 W61 M62 K63 M77 L81 L97 V128 A130 I149 V157	I60-L99 HydrophobicContact CG2-CB 4.07Å; W61-L99 PolarHBondContact O-N 3.36Å; M62-L99 VanDerWaalsContact CA-O 3.27Å; M62-L99 WeakPolarHBondContact CA-O 3.41Å; M62-L99 HydrophobicContact CB-CB 4.26Å; M62-L99 HydrophobicContact CG-CB 4.14Å; M62-L99 HydrophobicContact CG-CD2 4.02Å; M62-L99 HydrophobicContact CG-CG 4.03Å; M62-L99 WeakPolarHBondContact CG-O 3.36Å; M62-L99 HydrophobicContact SD-CD2 3.89Å; M62-L99 HydrophobicContact SD-CG 4.47Å; K63-L99 PolarHBondContact N-O 3.09Å; M77-L99 HydrophobicContact CB-CD2 4.1Å; M77-L99 HydrophobicContact SD-CD2 4.24Å; L81-L99 HydrophobicContact CD1-CD2 3.8Å; L97-L99 HydrophobicContact CD2-CB 4.35Å; L99-V128 WeakPolarHBondContact CA-O 3.35Å; L99-V128 HydrophobicContact CD1-CB 3.86Å; L99-V128 HydrophobicContact CD1-CG1 3.6Å; L99-A130 HydrophobicContact CD1-CB 4.38Å; L99-I149 HydrophobicContact CD1-CD1 4.25Å; L99-V157 HydrophobicContact CD2-CG2 4.12Å
100	L	97.4	Very high	89.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.3	-173.1	-58.6	-172.8	0	0	0	110.2	W61 K63 W65 W98 F113 I117 V127 V128 V129 A130	W61-L100 HydrophobicContact CE3-CD2 4.24Å; W61-L100 HydrophobicContact CZ3-CD2 3.71Å; K63-L100 HydrophobicContact CB-CD2 4.29Å; W65-L100 HydrophobicContact CH2-CD2 3.95Å; W65-L100 HydrophobicContact CZ3-CB 4.12Å; W65-L100 HydrophobicContact CZ3-CD2 4.12Å; W98-L100 HydrophobicContact CB-CD2 4.24Å; W98-L100 HydrophobicContact CB-CG 4.36Å; W98-L100 HydrophobicContact CE3-CD2 4.26Å; L100-F113 HydrophobicContact CB-CD2 3.95Å; L100-F113 HydrophobicContact CB-CE2 3.7Å; L100-F113 WeakPolarHBondContact O-CE2 3.27Å; L100-I117 HydrophobicContact CD1-CG1 3.72Å; L100-V127 HydrophobicContact CD1-CG1 4.17Å; L100-V127 HydrophobicContact CG-CG1 4.46Å; L100-V128 PolarHBondContact N-O 2.81Å; L100-V129 HydrophobicContact CB-CG1 4.49Å; L100-V129 CarbonylContact O-C 3.58Å; L100-V129 WeakPolarHBondContact O-CA 3.4Å; L100-A130 PolarHBondContact O-N 3.47Å
101	N	96.1	Very high	89.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.5	-177.8	-175.3	22.4	0	0	0	111.6	K63 T64 W65 N70 M77 A130 G131	K63-N101 PolarHBondContact O-N 3.16Å; T64-N101 WeakPolarHBondContact CA-O 3.36Å; T64-N101 HydrophobicContact CG2-CB 4.07Å; T64-N101 WeakPolarHBondContact CG2-ND2 3.46Å; W65-N101 PolarHBondContact N-O 3.31Å; N70-N101 PolarHBondContact O-ND2 3.15Å; N70-N101 PolarHBondContact OD1-ND2 2.88Å; N70-N101 PolarHBondContact OD1-OD1 3.46Å; M77-N101 HydrophobicContact CE-CB 3.9Å; N101-A130 HydrophobicContact CB-CB 4.26Å; N101-A130 PolarHBondContact OD1-O 3.14Å; N101-G131 WeakPolarHBondContact OD1-CA 3.37Å; N101-G131 PolarHBondContact OD1-N 2.72Å
102	S	93.7	Very high	89.2	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.9	-166.1	62.1	0	0	0	0	113.9	N70 F113 A130 G131 C132 V133 P134	N70-S102 VanDerWaalsContact ND2-C 3.25Å; N70-S102 PolarHBondContact ND2-O 3.24Å; N70-S102 PolarHBondContact OD1-O 3.36Å; S102-F113 VanDerWaalsContact CB-CG 3.48Å; S102-A130 PolarHBondContact N-O 2.89Å; S102-A130 PolarHBondContact OG-O 3.17Å; S102-G131 CarbonylContact O-C 3.58Å; S102-G131 WeakPolarHBondContact O-CA 3.37Å; S102-C132 PolarHBondContact O-N 2.81Å; S102-V133 VanDerWaalsContact OG-CB 3.31Å; S102-V133 WeakPolarHBondContact OG-CB 3.28Å; S102-P134 WeakPolarHBondContact OG-CD 3.41Å
103	C	87.8	Confident	89.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.			trans	-117.2	145.4	178.6	-173.5	0	0	0	0	110.8	W65 N70 V105 V133	W65-C103 VanDerWaalsContact O-CB 3.27Å; W65-C103 WeakPolarHBondContact O-CB 3.47Å; W65-C103 PolarHBondContact O-N 2.9Å; N70-C103 HydrophobicContact CB-CB 4.33Å; C103-V105 WeakPolarHBondContact SG-CG2 3.43Å; C103-V133 WeakPolarHBondContact O-CG2 3.32Å
104	T	83.8	Confident	89.2	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.178	C	C	.	.	S	Bend	trans	-90.3	-2.6	179.1	46.7	0	0	0	0	113.7	C132 V133 A136 K216 R391	T104-C132 VanDerWaalsContact CG2-C 3.45Å; T104-C132 HydrophobicContact CG2-CB 3.65Å; T104-C132 WeakPolarHBondContact CG2-O 3.33Å; T104-C132 WeakPolarHBondContact OG1-CB 3.23Å; T104-V133 HydrophobicContact CG2-CB 4.27Å; T104-V133 HydrophobicContact CG2-CG2 3.77Å; T104-A136 HydrophobicContact CG2-CB 4.26Å; T104-K216 HydrophobicContact CG2-CB 4.36Å; T104-R391 PolarHBondContact O-NE 2.74Å; T104-R391 PolarHBondContact O-NH1 3.14Å; T104-R391 PolarHBondContact O-NH2 2.65Å
105	V	75.9	Confident	89.2	Confident	76 Å²	76	35 Å²	35	46%	0.461	18%	0.179	S	C	.	.	S	Bend	trans	-70.9	-51.4	-171.7	175.8	0	0	0	0	111.1	C103 R391	C103-V105 WeakPolarHBondContact SG-CG2 3.43Å; V105-R391 PolarHBondContact O-NH2 2.61Å
106	K	74.8	Confident	89.2	Confident	112 Å²	112	36 Å²	36	49%	0.487	19%	0.186	S	C	.	.			trans	-109.4	132.3	-177	-63.2	-171.6	177.5	-176	0	111.1	A109	K106-A109 HydrophobicContact CB-CB 4.48Å; K106-A109 WeakPolarHBondContact O-CB 3.43Å; K106-A109 PolarHBondContact O-N 3.39Å
107	N	76.6	Confident	89.3	Confident	37 Å²	37	32.2 Å²	32.2	20%	0.198	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-44.3	178.6	-87.2	2.6	0	0	0	114.4	A109 E110 D111 Y389 R391	N107-A109 PolarHBondContact O-N 3.1Å; N107-A109 VanDerWaalsContact O-N 3.17Å; N107-E110 WeakPolarHBondContact O-CA 3.43Å; N107-E110 WeakPolarHBondContact O-CB 3.06Å; N107-E110 PolarHBondContact O-N 2.73Å; N107-D111 PolarHBondContact O-N 3.06Å; N107-Y389 WeakPolarHBondContact ND2-CB 3.46Å; N107-Y389 WeakPolarHBondContact ND2-CD2 3.27Å; N107-R391 PolarHBondContact OD1-NH1 3Å; N107-R391 PolarHBondContact OD1-NH2 3.12Å
108	P	80.1	Confident	89.3	Confident	63 Å²	63	38 Å²	38	41%	0.409	19%	0.191	S	C	.	.	H	α-helix	trans	-55.3	-36.5	177.2	-28.8	36	0	0	0	113	I12 E110 D111 H112	I12-P108 HydrophobicContact CD1-CB 4.47Å; P108-E110 VanDerWaalsContact C-N 3.33Å; P108-E110 PolarHBondContact O-N 3Å; P108-D111 PolarHBondContact O-N 3.31Å; P108-H112 PolarHBondContact O-CD2 2.89Å; P108-H112 PolarHBondContact O-N 3.08Å
109	A	80.8	Confident	89.1	Confident	12 Å²	12	43.1 Å²	43.1	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-39.4	176.1	0	0	0	0	0	112.4	W65 K106 N107 F113	W65-A109 HydrophobicContact CB-CB 4.01Å; K106-A109 HydrophobicContact CB-CB 4.48Å; K106-A109 WeakPolarHBondContact O-CB 3.43Å; K106-A109 PolarHBondContact O-N 3.39Å; N107-A109 PolarHBondContact O-N 3.1Å; N107-A109 VanDerWaalsContact O-N 3.17Å; A109-F113 VanDerWaalsContact O-CB 3.26Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 3.27Å
110	E	86.6	Confident	89	Confident	19 Å²	19	43.1 Å²	43.1	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-37.2	175.7	-173	171	169.5	0	0	111.8	N107 P108 F113 R114 V133 R391	N107-E110 WeakPolarHBondContact O-CA 3.43Å; N107-E110 WeakPolarHBondContact O-CB 3.06Å; N107-E110 PolarHBondContact O-N 2.73Å; P108-E110 VanDerWaalsContact C-N 3.33Å; P108-E110 PolarHBondContact O-N 3Å; E110-F113 PolarHBondContact O-N 2.86Å; E110-R114 PolarHBondContact O-N 3.1Å; E110-V133 HydrophobicContact CB-CG2 4.37Å; E110-V133 HydrophobicContact CG-CG1 4.05Å; E110-V133 HydrophobicContact CG-CG2 4.08Å; E110-R391 IonicContact OE2-NH1 2.77Å; E110-R391 PolarHBondContact OE2-NH1 3.32Å
111	D	87.6	Confident	88.7	Confident	65 Å²	65	47.3 Å²	47.3	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-67	-46.4	175.9	-69.3	-37	0	0	0	112.3	N107 P108 F113 R114 N115	N107-D111 PolarHBondContact O-N 3.06Å; P108-D111 PolarHBondContact O-N 3.31Å; D111-F113 VanDerWaalsContact C-N 3.3Å; D111-F113 PolarHBondContact O-N 3.05Å; D111-R114 PolarHBondContact O-N 3.43Å; D111-R114 IonicContact OD1-CZ 3.44Å; D111-R114 IonicContact OD1-NH1 3.72Å; D111-R114 PolarHBondContact OD1-NH1 3.45Å; D111-R114 IonicContact OD1-NH2 3.77Å; D111-R114 PolarHBondContact OD1-NH2 3.34Å; D111-N115 WeakPolarHBondContact O-CB 3.39Å; D111-N115 PolarHBondContact O-N 2.82Å; D111-N115 PolarHBondContact O-ND2 2.89Å; D111-N115 PolarHBondContact O-OD1 3.22Å
112	H	90.1	Very high	88.6	Confident	82 Å²	82	53.4 Å²	53.4	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-39.9	174.8	-73.9	-64.6	0	0	0	112.1	P108 N115 S116	P108-H112 PolarHBondContact O-CD2 2.89Å; P108-H112 PolarHBondContact O-N 3.08Å; H112-N115 PolarHBondContact O-N 2.52Å; H112-S116 WeakPolarHBondContact O-CB 3.3Å; H112-S116 PolarHBondContact O-N 2.73Å; H112-S116 PolarHBondContact O-OG 3.3Å
113	F	93.2	Very high	88.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-49.8	175.3	171	-114.7	0	0	0	111.7	W65 L100 S102 A109 E110 D111 N115 S116 I117 V129 V133 Y142 L143	W65-F113 HydrophobicContact CE3-CB 4.29Å; W65-F113 HydrophobicContact CE3-CD2 4.32Å; W65-F113 HydrophobicContact CZ3-CB 4.39Å; W65-F113 AromaticContact CZ3-CD2 3.98Å; W65-F113 HydrophobicContact CZ3-CD2 3.98Å; L100-F113 HydrophobicContact CB-CD2 3.95Å; L100-F113 HydrophobicContact CB-CE2 3.7Å; L100-F113 WeakPolarHBondContact O-CE2 3.27Å; S102-F113 VanDerWaalsContact CB-CG 3.48Å; A109-F113 VanDerWaalsContact O-CB 3.26Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 3.27Å; E110-F113 PolarHBondContact O-N 2.86Å; D111-F113 VanDerWaalsContact C-N 3.3Å; D111-F113 PolarHBondContact O-N 3.05Å; F113-N115 PolarHBondContact O-N 3.12Å; F113-S116 PolarHBondContact O-N 3.42Å; F113-I117 HydrophobicContact CD1-CD1 4.12Å; F113-I117 HydrophobicContact CD2-CD1 4.26Å; F113-I117 HydrophobicContact CE1-CD1 3.73Å; F113-I117 HydrophobicContact CE2-CD1 3.89Å; F113-I117 HydrophobicContact CE2-CG1 4.38Å; F113-I117 HydrophobicContact CG-CD1 4.39Å; F113-I117 HydrophobicContact CZ-CD1 3.63Å; F113-I117 WeakPolarHBondContact O-CG1 3.41Å; F113-I117 PolarHBondContact O-N 3.24Å; F113-V129 HydrophobicContact CE2-CB 4.07Å; F113-V129 HydrophobicContact CE2-CG1 3.86Å; F113-V129 HydrophobicContact CZ-CB 3.77Å; F113-V129 HydrophobicContact CZ-CG1 3.73Å; F113-V133 HydrophobicContact CD1-CB 4.42Å; F113-V133 HydrophobicContact CD1-CG1 4.31Å; F113-V133 HydrophobicContact CE1-CB 4.18Å; F113-V133 HydrophobicContact CE1-CG1 4.1Å; F113-Y142 HydrophobicContact CD1-CE2 4.36Å; F113-Y142 HydrophobicContact CE1-CE2 4.07Å; F113-L143 HydrophobicContact CE1-CD2 4.28Å; F113-L143 HydrophobicContact CZ-CD2 4.39Å
114	R	93.6	Very high	88.8	Confident	91 Å²	91	66.3 Å²	66.3	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-45.1	176	-178.6	-178.1	64.7	-113.8	-1.6	112.1	E110 D111 S116 I117 K118 Y142	E110-R114 PolarHBondContact O-N 3.1Å; D111-R114 PolarHBondContact O-N 3.43Å; D111-R114 IonicContact OD1-CZ 3.44Å; D111-R114 IonicContact OD1-NH1 3.72Å; D111-R114 PolarHBondContact OD1-NH1 3.45Å; D111-R114 IonicContact OD1-NH2 3.77Å; D111-R114 PolarHBondContact OD1-NH2 3.34Å; R114-S116 VanDerWaalsContact C-N 3.31Å; R114-S116 PolarHBondContact O-N 2.86Å; R114-I117 PolarHBondContact O-N 3.13Å; R114-K118 PolarHBondContact O-N 3.36Å; R114-K118 VanDerWaalsContact O-N 3.14Å; R114-Y142 HydrophobicContact CB-CE2 4.38Å; R114-Y142 HydrophobicContact CG-CD1 4.06Å; R114-Y142 HydrophobicContact CG-CD2 4.21Å; R114-Y142 HydrophobicContact CG-CE1 4.28Å; R114-Y142 HydrophobicContact CG-CE2 4.43Å; R114-Y142 HydrophobicContact CG-CG 4.03Å
115	N	94.6	Very high	89.1	Confident	90 Å²	90	68.8 Å²	68.8	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-38	179.5	-67.7	-14.7	0	0	0	111.5	D111 H112 F113 K118 K119	D111-N115 WeakPolarHBondContact O-CB 3.39Å; D111-N115 PolarHBondContact O-N 2.82Å; D111-N115 PolarHBondContact O-ND2 2.89Å; D111-N115 PolarHBondContact O-OD1 3.22Å; H112-N115 PolarHBondContact O-N 2.52Å; F113-N115 PolarHBondContact O-N 3.12Å; N115-K118 PolarHBondContact O-N 3.21Å; N115-K119 WeakPolarHBondContact O-CB 3.36Å; N115-K119 PolarHBondContact O-N 2.98Å
116	S	95.4	Very high	90	Very high	21 Å²	21	68.6 Å²	68.6	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-39	177.8	-59.5	0	0	0	0	112.3	W65 H112 F113 R114 K118 K119 A120	W65-S116 WeakPolarHBondContact CH2-OG 3.49Å; W65-S116 WeakPolarHBondContact CZ2-OG 3.5Å; H112-S116 WeakPolarHBondContact O-CB 3.3Å; H112-S116 PolarHBondContact O-N 2.73Å; H112-S116 PolarHBondContact O-OG 3.3Å; F113-S116 PolarHBondContact O-N 3.42Å; R114-S116 VanDerWaalsContact C-N 3.31Å; R114-S116 PolarHBondContact O-N 2.86Å; S116-K118 VanDerWaalsContact C-N 3.35Å; S116-K119 PolarHBondContact O-N 3.03Å; S116-A120 WeakPolarHBondContact O-CB 3.4Å; S116-A120 PolarHBondContact O-N 3.36Å
117	I	95.8	Very high	91.1	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-48.8	172.8	-69.2	166.1	0	0	0	110.4	L100 F113 R114 K119 A120 Q121 V129 Y142 L143 L146	L100-I117 HydrophobicContact CD1-CG1 3.72Å; F113-I117 HydrophobicContact CD1-CD1 4.12Å; F113-I117 HydrophobicContact CD2-CD1 4.26Å; F113-I117 HydrophobicContact CE1-CD1 3.73Å; F113-I117 HydrophobicContact CE2-CD1 3.89Å; F113-I117 HydrophobicContact CE2-CG1 4.38Å; F113-I117 HydrophobicContact CG-CD1 4.39Å; F113-I117 HydrophobicContact CZ-CD1 3.63Å; F113-I117 WeakPolarHBondContact O-CG1 3.41Å; F113-I117 PolarHBondContact O-N 3.24Å; R114-I117 PolarHBondContact O-N 3.13Å; I117-K119 VanDerWaalsContact C-N 3.35Å; I117-K119 PolarHBondContact O-N 2.91Å; I117-A120 WeakPolarHBondContact O-CB 3.47Å; I117-A120 PolarHBondContact O-N 3.39Å; I117-Q121 HydrophobicContact CG2-CG 4.5Å; I117-Q121 WeakPolarHBondContact O-CG 3.39Å; I117-Q121 PolarHBondContact O-N 3.12Å; I117-V129 HydrophobicContact CD1-CG1 3.78Å; I117-V129 HydrophobicContact CG1-CG1 4.02Å; I117-Y142 HydrophobicContact CD1-CD2 3.7Å; I117-Y142 HydrophobicContact CD1-CE2 3.78Å; I117-L143 HydrophobicContact CD1-CD2 3.83Å; I117-L146 HydrophobicContact CD1-CD1 4.42Å; I117-L146 HydrophobicContact CG1-CD1 4.5Å; I117-L146 HydrophobicContact CG2-CD1 3.61Å
118	K	95.4	Very high	92.1	Very high	123 Å²	123	62 Å²	62	54%	0.535	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-46.5	180	-168.4	-171	-179.6	-149.4	0	111.3	R114 N115 S116 A120 Q121 E122	R114-K118 PolarHBondContact O-N 3.36Å; R114-K118 VanDerWaalsContact O-N 3.14Å; N115-K118 PolarHBondContact O-N 3.21Å; S116-K118 VanDerWaalsContact C-N 3.35Å; K118-A120 VanDerWaalsContact C-N 3.33Å; K118-A120 PolarHBondContact O-N 3.03Å; K118-Q121 PolarHBondContact O-N 3.1Å; K118-E122 WeakPolarHBondContact CE-OE1 3.31Å; K118-E122 IonicContact NZ-OE1 2.65Å; K118-E122 PolarHBondContact NZ-OE1 3Å; K118-E122 WeakPolarHBondContact O-CG 3.43Å; K118-E122 PolarHBondContact O-N 3.38Å
119	K	95	Very high	92.9	Very high	111 Å²	111	59 Å²	59	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-42.7	176.8	-174.3	177.9	179.9	-178.6	0	111.9	W98 N115 S116 I117 E122 Q123	W98-K119 HydrophobicContact CH2-CD 4.26Å; W98-K119 HydrophobicContact CH2-CG 4.24Å; N115-K119 WeakPolarHBondContact O-CB 3.36Å; N115-K119 PolarHBondContact O-N 2.98Å; S116-K119 PolarHBondContact O-N 3.03Å; I117-K119 VanDerWaalsContact C-N 3.35Å; I117-K119 PolarHBondContact O-N 2.91Å; K119-E122 PolarHBondContact O-N 3.04Å; K119-Q123 WeakPolarHBondContact O-CB 3.5Å; K119-Q123 VanDerWaalsContact O-CG 3.31Å; K119-Q123 WeakPolarHBondContact O-CG 3.41Å; K119-Q123 PolarHBondContact O-N 3.05Å
120	A	94.3	Very high	93.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-43	177.8	0	0	0	0	0	112	W98 S116 I117 K118 Q123 Q124 K125 V127	W98-A120 HydrophobicContact CD2-CB 3.89Å; W98-A120 HydrophobicContact CE3-CB 3.4Å; W98-A120 VanDerWaalsContact CE3-CB 3.4Å; W98-A120 HydrophobicContact CG-CB 4.47Å; W98-A120 HydrophobicContact CH2-CB 4.47Å; W98-A120 HydrophobicContact CZ3-CB 3.74Å; S116-A120 WeakPolarHBondContact O-CB 3.4Å; S116-A120 PolarHBondContact O-N 3.36Å; I117-A120 WeakPolarHBondContact O-CB 3.47Å; I117-A120 PolarHBondContact O-N 3.39Å; K118-A120 VanDerWaalsContact C-N 3.33Å; K118-A120 PolarHBondContact O-N 3.03Å; A120-Q123 CarbonylContact O-C 3.52Å; A120-Q123 PolarHBondContact O-N 2.92Å; A120-Q124 PolarHBondContact O-N 3.48Å; A120-Q124 VanDerWaalsContact O-N 3.13Å; A120-K125 HydrophobicContact CB-CB 4.3Å; A120-K125 PolarHBondContact O-N 3.15Å; A120-V127 HydrophobicContact CB-CG2 3.41Å; A120-V127 VanDerWaalsContact CB-CG2 3.41Å
121	Q	92.7	Very high	94	Very high	87 Å²	87	57.6 Å²	57.6	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-65.4	-41.7	176.7	-71	175.3	-32.7	0	0	112.1	I117 K118 Q123 Q124	I117-Q121 HydrophobicContact CG2-CG 4.5Å; I117-Q121 WeakPolarHBondContact O-CG 3.39Å; I117-Q121 PolarHBondContact O-N 3.12Å; K118-Q121 PolarHBondContact O-N 3.1Å; Q121-Q123 PolarHBondContact O-N 3.1Å; Q121-Q124 PolarHBondContact O-N 3.3Å
122	E	93.9	Very high	94.2	Very high	129 Å²	129	54.6 Å²	54.6	60%	0.603	25%	0.252	S	S	*	.	H	α-helix	trans	-60.8	-33.3	174.1	-73.3	169.4	179.1	0	0	111.8	K118 K119 Q124	K118-E122 WeakPolarHBondContact CE-OE1 3.31Å; K118-E122 IonicContact NZ-OE1 2.65Å; K118-E122 PolarHBondContact NZ-OE1 3Å; K118-E122 WeakPolarHBondContact O-CG 3.43Å; K118-E122 PolarHBondContact O-N 3.38Å; K119-E122 PolarHBondContact O-N 3.04Å; E122-Q124 VanDerWaalsContact C-N 3.31Å
123	Q	93.1	Very high	94.4	Very high	89 Å²	89	50.7 Å²	50.7	42%	0.416	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5.7	175.1	-66.4	-179.4	4.6	0	0	113.9	K119 A120 Q121 K125	K119-Q123 WeakPolarHBondContact O-CB 3.5Å; K119-Q123 VanDerWaalsContact O-CG 3.31Å; K119-Q123 WeakPolarHBondContact O-CG 3.41Å; K119-Q123 PolarHBondContact O-N 3.05Å; A120-Q123 CarbonylContact O-C 3.52Å; A120-Q123 PolarHBondContact O-N 2.92Å; Q121-Q123 PolarHBondContact O-N 3.1Å; Q123-K125 HydrophobicContact CB-CG 3.93Å; Q123-K125 PolarHBondContact O-N 3.36Å; Q123-K125 VanDerWaalsContact O-N 3.12Å
124	Q	90.9	Very high	94.4	Very high	182 Å²	182	50.7 Å²	50.7	85%	0.85	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.5	-177.1	-54.4	-174.1	-59.6	0	0	113.9	A120 Q121 E122	A120-Q124 PolarHBondContact O-N 3.48Å; A120-Q124 VanDerWaalsContact O-N 3.13Å; Q121-Q124 PolarHBondContact O-N 3.3Å; E122-Q124 VanDerWaalsContact C-N 3.31Å
125	K	91.7	Very high	94.3	Very high	54 Å²	54	48 Å²	48	24%	0.235	23%	0.225	C	C	.	.			trans	-76	147.6	174	-62.1	-65.1	-170.1	173.9	0	109.9	A93 A95 W98 A120 Q123	A93-K125 PolarHBondContact O-NZ 3.47Å; A95-K125 WeakPolarHBondContact O-CD 3.45Å; A95-K125 WeakPolarHBondContact O-CE 3.1Å; A95-K125 PolarHBondContact O-NZ 3.49Å; W98-K125 HydrophobicContact CG-CB 4.48Å; A120-K125 HydrophobicContact CB-CB 4.3Å; A120-K125 PolarHBondContact O-N 3.15Å; Q123-K125 HydrophobicContact CB-CG 3.93Å; Q123-K125 PolarHBondContact O-N 3.36Å; Q123-K125 VanDerWaalsContact O-N 3.12Å
126	K	94.6	Very high	94.1	Very high	72 Å²	72	44.7 Å²	44.7	31%	0.313	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.5	168.2	-66.3	172.1	178.6	162.6	0	108.6	L97 W98 A164 V165	L97-K126 WeakPolarHBondContact CA-O 3.44Å; L97-K126 HydrophobicContact CB-CB 4.25Å; L97-K126 HydrophobicContact CD1-CB 4.04Å; L97-K126 HydrophobicContact CG-CB 4.13Å; W98-K126 PolarHBondContact N-O 3.36Å; K126-A164 WeakPolarHBondContact CD-O 3.3Å; K126-V165 WeakPolarHBondContact CE-O 3.49Å; K126-V165 PolarHBondContact NZ-O 3.29Å
127	V	96.8	Very high	93.8	Very high	12 Å²	12	44.7 Å²	44.7	7%	0.073	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.8	-173.8	-173.2	0	0	0	0	110.5	W98 L100 A120 V129 L146	W98-V127 WeakPolarHBondContact O-CA 3.26Å; L100-V127 HydrophobicContact CD1-CG1 4.17Å; L100-V127 HydrophobicContact CG-CG1 4.46Å; A120-V127 HydrophobicContact CB-CG2 3.41Å; A120-V127 VanDerWaalsContact CB-CG2 3.41Å; V127-V129 HydrophobicContact CG1-CG1 4.05Å; V127-L146 HydrophobicContact CB-CD2 4.13Å; V127-L146 HydrophobicContact CG1-CD1 4.36Å
128	V	97.8	Very high	93.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	165.6	178.1	0	0	0	0	107.5	L97 W98 L99 L100 I149 V160 V161 A164	L97-V128 HydrophobicContact CD1-CG2 3.95Å; L97-V128 HydrophobicContact CD2-CB 4.34Å; L97-V128 HydrophobicContact CD2-CG2 4.05Å; L97-V128 HydrophobicContact CG-CG2 4.39Å; W98-V128 PolarHBondContact O-N 3.11Å; L99-V128 WeakPolarHBondContact CA-O 3.35Å; L99-V128 HydrophobicContact CD1-CB 3.86Å; L99-V128 HydrophobicContact CD1-CG1 3.6Å; L100-V128 PolarHBondContact N-O 2.81Å; V128-I149 HydrophobicContact CG1-CD1 3.6Å; V128-I149 HydrophobicContact CG1-CG1 3.93Å; V128-V160 HydrophobicContact CG1-CG1 3.88Å; V128-V160 HydrophobicContact CG2-CG1 4.43Å; V128-V161 HydrophobicContact CG2-CG2 4.2Å; V128-A164 HydrophobicContact CG2-CB 3.56Å
129	V	97.6	Very high	93.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	144.2	176.4	-63.8	0	0	0	0	111.3	L100 F113 I117 V127 P134 L143 L146 S147 I148 I149	L100-V129 HydrophobicContact CB-CG1 4.49Å; L100-V129 CarbonylContact O-C 3.58Å; L100-V129 WeakPolarHBondContact O-CA 3.4Å; F113-V129 HydrophobicContact CE2-CB 4.07Å; F113-V129 HydrophobicContact CE2-CG1 3.86Å; F113-V129 HydrophobicContact CZ-CB 3.77Å; F113-V129 HydrophobicContact CZ-CG1 3.73Å; I117-V129 HydrophobicContact CD1-CG1 3.78Å; I117-V129 HydrophobicContact CG1-CG1 4.02Å; V127-V129 HydrophobicContact CG1-CG1 4.05Å; V129-P134 HydrophobicContact CG2-CB 4.06Å; V129-P134 HydrophobicContact CG2-CG 4.36Å; V129-L143 HydrophobicContact CG1-CD2 4.38Å; V129-L143 HydrophobicContact CG2-CD2 4.13Å; V129-L146 HydrophobicContact CG1-CD1 4.03Å; V129-S147 WeakPolarHBondContact CG2-O 3.08Å; V129-S147 PolarHBondContact N-O 3.14Å; V129-I148 HydrophobicContact CG2-CB 4.18Å; V129-I148 HydrophobicContact CG2-CD1 4.18Å; V129-I148 HydrophobicContact CG2-CG1 3.63Å; V129-I148 HydrophobicContact CG2-CG2 4.28Å; V129-I148 CarbonylContact O-C 3.57Å; V129-I148 WeakPolarHBondContact O-CA 3.41Å; V129-I149 PolarHBondContact O-N 2.87Å
130	A	96.7	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	170.1	-179.5	0	0	0	0	0	112.2	M77 L99 L100 N101 S102 P134 I149	M77-A130 HydrophobicContact CE-CB 3.83Å; M77-A130 HydrophobicContact SD-CB 3.83Å; L99-A130 HydrophobicContact CD1-CB 4.38Å; L100-A130 PolarHBondContact O-N 3.47Å; N101-A130 HydrophobicContact CB-CB 4.26Å; N101-A130 PolarHBondContact OD1-O 3.14Å; S102-A130 PolarHBondContact N-O 2.89Å; S102-A130 PolarHBondContact OG-O 3.17Å; A130-P134 WeakPolarHBondContact O-CG 3.2Å; A130-I149 WeakPolarHBondContact CA-O 3.45Å; A130-I149 HydrophobicContact CB-CB 4.06Å
131	G	93.1	Very high	93	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.1	-164.6	169.3	0	0	0	0	0	114.7	N101 S102 V133 P134 Q135 I149	N101-G131 WeakPolarHBondContact OD1-CA 3.37Å; N101-G131 PolarHBondContact OD1-N 2.72Å; S102-G131 CarbonylContact O-C 3.58Å; S102-G131 WeakPolarHBondContact O-CA 3.37Å; G131-V133 PolarHBondContact O-N 3.07Å; G131-P134 WeakPolarHBondContact O-CD 3.34Å; G131-P134 WeakPolarHBondContact O-CG 3.35Å; G131-Q135 WeakPolarHBondContact O-CB 3.28Å; G131-Q135 PolarHBondContact O-N 3.13Å; G131-I149 PolarHBondContact N-O 3.45Å
132	C	93.1	Very high	92.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-34.9	-168.3	-63.8	0	0	0	0	113.7	S102 T104 Q135 A136 A220	S102-C132 PolarHBondContact O-N 2.81Å; T104-C132 VanDerWaalsContact CG2-C 3.45Å; T104-C132 HydrophobicContact CG2-CB 3.65Å; T104-C132 WeakPolarHBondContact CG2-O 3.33Å; T104-C132 WeakPolarHBondContact OG1-CB 3.23Å; C132-Q135 PolarHBondContact O-N 3.04Å; C132-A136 VanDerWaalsContact O-CB 3.28Å; C132-A136 WeakPolarHBondContact O-CB 3.38Å; C132-A136 PolarHBondContact O-N 2.71Å; C132-A220 HydrophobicContact CB-CB 3.68Å
133	V	92.8	Very high	92.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-55.7	-176.7	179.8	0	0	0	0	111	S102 C103 T104 E110 F113 G131 Q135 A136 Q137 Y142	S102-V133 VanDerWaalsContact OG-CB 3.31Å; S102-V133 WeakPolarHBondContact OG-CB 3.28Å; C103-V133 WeakPolarHBondContact O-CG2 3.32Å; T104-V133 HydrophobicContact CG2-CB 4.27Å; T104-V133 HydrophobicContact CG2-CG2 3.77Å; E110-V133 HydrophobicContact CB-CG2 4.37Å; E110-V133 HydrophobicContact CG-CG1 4.05Å; E110-V133 HydrophobicContact CG-CG2 4.08Å; F113-V133 HydrophobicContact CD1-CB 4.42Å; F113-V133 HydrophobicContact CD1-CG1 4.31Å; F113-V133 HydrophobicContact CE1-CB 4.18Å; F113-V133 HydrophobicContact CE1-CG1 4.1Å; G131-V133 PolarHBondContact O-N 3.07Å; V133-Q135 PolarHBondContact O-N 2.59Å; V133-A136 PolarHBondContact O-N 2.71Å; V133-Q137 PolarHBondContact O-N 3.17Å; V133-Y142 WeakPolarHBondContact CG1-OH 3.3Å
134	P	92.6	Very high	92.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-24	179.5	28.3	-36.5	0	0	0	112.7	S102 V129 A130 G131 P138 L143 I148	S102-P134 WeakPolarHBondContact OG-CD 3.41Å; V129-P134 HydrophobicContact CG2-CB 4.06Å; V129-P134 HydrophobicContact CG2-CG 4.36Å; A130-P134 WeakPolarHBondContact O-CG 3.2Å; G131-P134 WeakPolarHBondContact O-CD 3.34Å; G131-P134 WeakPolarHBondContact O-CG 3.35Å; P134-P138 VanDerWaalsContact O-CA 3.23Å; P134-P138 WeakPolarHBondContact O-CA 3.22Å; P134-P138 VanDerWaalsContact O-CB 3.32Å; P134-P138 WeakPolarHBondContact O-CB 3.22Å; P134-L143 HydrophobicContact CB-CD1 4Å; P134-I148 HydrophobicContact CB-CD1 4.31Å; P134-I148 HydrophobicContact CB-CG2 3.69Å; P134-I148 HydrophobicContact CG-CG2 4.3Å
135	Q	93.1	Very high	92.8	Very high	36 Å²	36	43.1 Å²	43.1	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-71.1	-47.1	172.1	-177.1	68.3	39.3	0	0	112.6	G131 C132 V133 V151 L173 A220	G131-Q135 WeakPolarHBondContact O-CB 3.28Å; G131-Q135 PolarHBondContact O-N 3.13Å; C132-Q135 PolarHBondContact O-N 3.04Å; V133-Q135 PolarHBondContact O-N 2.59Å; Q135-V151 HydrophobicContact CB-CG1 4.25Å; Q135-V151 HydrophobicContact CG-CG2 4.08Å; Q135-L173 PolarHBondContact NE2-O 3.02Å; Q135-A220 HydrophobicContact CB-CB 4.31Å; Q135-A220 HydrophobicContact CG-CB 4.26Å; Q135-A220 WeakPolarHBondContact CG-O 3.09Å
136	A	90.3	Very high	92.9	Very high	20 Å²	20	41.3 Å²	41.3	17%	0.165	21%	0.209	C	C	.	.	H	α-helix	trans	-77.4	-30	-176.7	0	0	0	0	0	113.1	T104 C132 V133 H219 A220	T104-A136 HydrophobicContact CG2-CB 4.26Å; C132-A136 VanDerWaalsContact O-CB 3.28Å; C132-A136 WeakPolarHBondContact O-CB 3.38Å; C132-A136 PolarHBondContact O-N 2.71Å; V133-A136 PolarHBondContact O-N 2.71Å; A136-H219 HydrophobicContact CB-CB 4.24Å; A136-A220 HydrophobicContact CB-CB 4.11Å
137	Q	89.6	Confident	93.1	Very high	21 Å²	21	38 Å²	38	10%	0.098	20%	0.196	C	C	.	.			trans	-134.8	63.3	-176.3	-61.8	-175.1	90.9	0	0	111.5	V133 R139 M140	V133-Q137 PolarHBondContact O-N 3.17Å; Q137-R139 PolarHBondContact O-N 3.33Å; Q137-R139 VanDerWaalsContact O-N 3.11Å; Q137-M140 HydrophobicContact CB-CG 3.79Å; Q137-M140 HydrophobicContact CB-SD 4.37Å; Q137-M140 VanDerWaalsContact O-CG 3.31Å; Q137-M140 WeakPolarHBondContact O-CG 3.29Å; Q137-M140 PolarHBondContact O-N 3.12Å
138	P	90.3	Very high	93.1	Very high	36 Å²	36	37.5 Å²	37.5	23%	0.234	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.2	-174	25.8	-34.5	0	0	0	113.9	P134 R171 L173	P134-P138 VanDerWaalsContact O-CA 3.23Å; P134-P138 WeakPolarHBondContact O-CA 3.22Å; P134-P138 VanDerWaalsContact O-CB 3.32Å; P134-P138 WeakPolarHBondContact O-CB 3.22Å; P138-R171 PolarHBondContact O-NH2 3.05Å; P138-L173 HydrophobicContact CB-CD1 3.56Å; P138-L173 HydrophobicContact CG-CD1 4.23Å
139	R	90.1	Very high	93	Very high	227 Å²	227	37.5 Å²	37.5	86%	0.857	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	8.7	-173.4	-63.1	-176.6	-178.1	167	0.2	114	Q137	Q137-R139 PolarHBondContact O-N 3.33Å; Q137-R139 VanDerWaalsContact O-N 3.11Å
140	M	90.6	Very high	92.8	Very high	62 Å²	62	37.5 Å²	37.5	31%	0.305	19%	0.192	S	C	.	.			trans	-62	141.8	177	-63.4	-67.6	-89.8	0	0	110.8	Q137 Y142 L143	Q137-M140 HydrophobicContact CB-CG 3.79Å; Q137-M140 HydrophobicContact CB-SD 4.37Å; Q137-M140 VanDerWaalsContact O-CG 3.31Å; Q137-M140 WeakPolarHBondContact O-CG 3.29Å; Q137-M140 PolarHBondContact O-N 3.12Å; M140-Y142 VanDerWaalsContact C-N 3.32Å; M140-Y142 HydrophobicContact CB-CD1 3.98Å; M140-Y142 HydrophobicContact CB-CE1 3.63Å; M140-Y142 HydrophobicContact CE-CE1 3.87Å; M140-Y142 HydrophobicContact CG-CE1 4.1Å; M140-Y142 PolarHBondContact O-N 3.02Å; M140-L143 HydrophobicContact CB-CD1 4.16Å; M140-L143 HydrophobicContact CB-CG 4.2Å; M140-L143 WeakPolarHBondContact O-CB 3.49Å; M140-L143 PolarHBondContact O-N 2.89Å
141	D	91.1	Very high	92.5	Very high	119 Å²	119	37.7 Å²	37.7	64%	0.636	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-60.6	-39.3	-172.6	-71.5	-38.5	0	0	0	113.4	L143 K144	D141-L143 PolarHBondContact O-N 2.92Å; D141-K144 WeakPolarHBondContact O-CB 3.38Å; D141-K144 WeakPolarHBondContact O-CG 3.39Å; D141-K144 PolarHBondContact O-N 2.99Å; D141-K144 VanDerWaalsContact O-N 3.16Å; D141-K144 WeakPolarHBondContact OD1-CE 3.4Å; D141-K144 IonicContact OD1-NZ 2.95Å; D141-K144 PolarHBondContact OD1-NZ 2.96Å
142	Y	91.9	Very high	92.3	Very high	43 Å²	43	37.9 Å²	37.9	17%	0.169	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-70.5	-8.4	179.4	68.1	-95.8	0	0	0	113.8	F113 R114 I117 V133 M140	F113-Y142 HydrophobicContact CD1-CE2 4.36Å; F113-Y142 HydrophobicContact CE1-CE2 4.07Å; R114-Y142 HydrophobicContact CB-CE2 4.38Å; R114-Y142 HydrophobicContact CG-CD1 4.06Å; R114-Y142 HydrophobicContact CG-CD2 4.21Å; R114-Y142 HydrophobicContact CG-CE1 4.28Å; R114-Y142 HydrophobicContact CG-CE2 4.43Å; R114-Y142 HydrophobicContact CG-CG 4.03Å; I117-Y142 HydrophobicContact CD1-CD2 3.7Å; I117-Y142 HydrophobicContact CD1-CE2 3.78Å; V133-Y142 WeakPolarHBondContact CG1-OH 3.3Å; M140-Y142 VanDerWaalsContact C-N 3.32Å; M140-Y142 HydrophobicContact CB-CD1 3.98Å; M140-Y142 HydrophobicContact CB-CE1 3.63Å; M140-Y142 HydrophobicContact CE-CE1 3.87Å; M140-Y142 HydrophobicContact CG-CE1 4.1Å; M140-Y142 PolarHBondContact O-N 3.02Å
143	L	93.3	Very high	92.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-96.8	-5.4	175.4	-60.6	-178.2	0	0	0	113	F113 I117 V129 P134 M140 D141 G145 L146 I148	F113-L143 HydrophobicContact CE1-CD2 4.28Å; F113-L143 HydrophobicContact CZ-CD2 4.39Å; I117-L143 HydrophobicContact CD1-CD2 3.83Å; V129-L143 HydrophobicContact CG1-CD2 4.38Å; V129-L143 HydrophobicContact CG2-CD2 4.13Å; P134-L143 HydrophobicContact CB-CD1 4Å; M140-L143 HydrophobicContact CB-CD1 4.16Å; M140-L143 HydrophobicContact CB-CG 4.2Å; M140-L143 WeakPolarHBondContact O-CB 3.49Å; M140-L143 PolarHBondContact O-N 2.89Å; D141-L143 PolarHBondContact O-N 2.92Å; L143-G145 PolarHBondContact O-N 3.15Å; L143-L146 HydrophobicContact CD2-CD1 4.44Å; L143-L146 PolarHBondContact O-N 3.25Å; L143-I148 HydrophobicContact CB-CD1 4.39Å
144	K	91.1	Very high	92.3	Very high	133 Å²	133	38.7 Å²	38.7	58%	0.578	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	132.3	-178.7	-73	174.7	172.4	168.4	0	110.4	D141 L146	D141-K144 WeakPolarHBondContact O-CB 3.38Å; D141-K144 WeakPolarHBondContact O-CG 3.39Å; D141-K144 PolarHBondContact O-N 2.99Å; D141-K144 VanDerWaalsContact O-N 3.16Å; D141-K144 WeakPolarHBondContact OD1-CE 3.4Å; D141-K144 IonicContact OD1-NZ 2.95Å; D141-K144 PolarHBondContact OD1-NZ 2.96Å; K144-L146 PolarHBondContact O-N 3.35Å
145	G	89.8	Confident	92.3	Very high	67 Å²	67	41 Å²	41	69%	0.691	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	-5.5	179.5	0	0	0	0	0	115.2	L143 S169	L143-G145 PolarHBondContact O-N 3.15Å; G145-S169 PolarHBondContact O-OG 2.7Å; G145-S169 VanDerWaalsContact O-OG 3.13Å
146	L	95.4	Very high	92.4	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.084	22%	0.218	C	C	.	.			trans	-85.6	149.5	178.2	-57.6	-174.7	0	0	0	111.9	I117 V127 V129 L143 K144 S169	I117-L146 HydrophobicContact CD1-CD1 4.42Å; I117-L146 HydrophobicContact CG1-CD1 4.5Å; I117-L146 HydrophobicContact CG2-CD1 3.61Å; V127-L146 HydrophobicContact CB-CD2 4.13Å; V127-L146 HydrophobicContact CG1-CD1 4.36Å; V129-L146 HydrophobicContact CG1-CD1 4.03Å; L143-L146 HydrophobicContact CD2-CD1 4.44Å; L143-L146 PolarHBondContact O-N 3.25Å; K144-L146 PolarHBondContact O-N 3.35Å; L146-S169 PolarHBondContact O-OG 2.86Å
147	S	97.2	Very high	92.7	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	137.4	168.1	-72.4	0	0	0	0	110.4	V129 H168 S169 V170	V129-S147 WeakPolarHBondContact CG2-O 3.08Å; V129-S147 PolarHBondContact N-O 3.14Å; S147-H168 PolarHBondContact OG-O 3.03Å; S147-S169 WeakPolarHBondContact OG-CA 3.49Å; S147-V170 CarbonylContact C-O 3.55Å; S147-V170 WeakPolarHBondContact CA-O 3.45Å; S147-V170 PolarHBondContact OG-N 2.9Å
148	I	96.9	Very high	93	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132	-172.5	-52.4	-163.9	0	0	0	111.6	V129 P134 L143 V170 R171 L172 L173	V129-I148 HydrophobicContact CG2-CB 4.18Å; V129-I148 HydrophobicContact CG2-CD1 4.18Å; V129-I148 HydrophobicContact CG2-CG1 3.63Å; V129-I148 HydrophobicContact CG2-CG2 4.28Å; V129-I148 CarbonylContact O-C 3.57Å; V129-I148 WeakPolarHBondContact O-CA 3.41Å; P134-I148 HydrophobicContact CB-CD1 4.31Å; P134-I148 HydrophobicContact CB-CG2 3.69Å; P134-I148 HydrophobicContact CG-CG2 4.3Å; L143-I148 HydrophobicContact CB-CD1 4.39Å; I148-V170 PolarHBondContact N-O 2.91Å; I148-R171 HydrophobicContact CB-CB 4.42Å; I148-R171 HydrophobicContact CB-CG 4.32Å; I148-R171 VanDerWaalsContact CD1-NH2 3.27Å; I148-R171 HydrophobicContact CG1-CG 4.22Å; I148-R171 WeakPolarHBondContact O-CA 3.36Å; I148-L172 PolarHBondContact O-N 3.04Å; I148-L173 HydrophobicContact CG2-CD2 3.68Å; I148-L173 HydrophobicContact CG2-CG 4.32Å
149	I	96	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.9	171.6	-54.7	168.1	0	0	0	109.1	M77 L99 V128 V129 A130 G131 Q153 I154 V157 V160	M77-I149 HydrophobicContact SD-CD1 4.32Å; L99-I149 HydrophobicContact CD1-CD1 4.25Å; V128-I149 HydrophobicContact CG1-CD1 3.6Å; V128-I149 HydrophobicContact CG1-CG1 3.93Å; V129-I149 PolarHBondContact O-N 2.87Å; A130-I149 WeakPolarHBondContact CA-O 3.45Å; A130-I149 HydrophobicContact CB-CB 4.06Å; G131-I149 PolarHBondContact N-O 3.45Å; I149-Q153 HydrophobicContact CG2-CB 4.44Å; I149-I154 HydrophobicContact CG2-CG2 4.23Å; I149-V157 HydrophobicContact CD1-CB 3.96Å; I149-V157 HydrophobicContact CD1-CG2 3.63Å; I149-V160 HydrophobicContact CD1-CB 4.1Å; I149-V160 HydrophobicContact CD1-CG1 4.19Å; I149-V160 HydrophobicContact CG1-CB 3.88Å; I149-V160 HydrophobicContact CG1-CG1 3.75Å; I149-V160 HydrophobicContact CG1-CG2 3.95Å
150	G	92.9	Very high	93.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.			trans	-74.2	156.6	173.4	0	0	0	0	0	112.6	Q152 Q153 L172	G150-Q152 PolarHBondContact O-N 2.84Å; G150-Q153 PolarHBondContact O-N 2.83Å; G150-L172 WeakPolarHBondContact CA-O 3.24Å; G150-L172 PolarHBondContact N-O 3.41Å
151	V	91.8	Very high	93.8	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21	-177.5	-59.6	0	0	0	0	114.3	Q135 A220 R221	Q135-V151 HydrophobicContact CB-CG1 4.25Å; Q135-V151 HydrophobicContact CG-CG2 4.08Å; V151-A220 WeakPolarHBondContact CG2-O 3.45Å; V151-R221 HydrophobicContact CB-CG 4.42Å; V151-R221 HydrophobicContact CG2-CG 4Å
152	Q	89.3	Confident	94	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.028	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-0.3	177.1	-60.4	-154.4	-46.5	0	0	114.4	G150 Q175 K176 R182	G150-Q152 PolarHBondContact O-N 2.84Å; Q152-Q175 VanDerWaalsContact OE1-CA 3.24Å; Q152-K176 VanDerWaalsContact O-CD 3.3Å; Q152-K176 WeakPolarHBondContact O-CD 3.32Å; Q152-K176 VanDerWaalsContact O-CE 3.32Å; Q152-K176 WeakPolarHBondContact O-CE 3.39Å; Q152-R182 VanDerWaalsContact NE2-CZ 3.28Å; Q152-R182 VanDerWaalsContact NE2-NE 3.13Å
153	Q	91.6	Very high	94.1	Very high	14 Å²	14	27.9 Å²	27.9	7%	0.065	15%	0.149	C	C	.	.			trans	-117.7	15.8	-173.4	-59.3	-68	-35.2	0	0	111.6	I149 G150 D155 R156 L172 G174	I149-Q153 HydrophobicContact CG2-CB 4.44Å; G150-Q153 PolarHBondContact O-N 2.83Å; Q153-D155 PolarHBondContact O-N 3.08Å; Q153-R156 PolarHBondContact O-N 3.04Å; Q153-L172 HydrophobicContact CB-CB 3.93Å; Q153-L172 HydrophobicContact CG-CB 4.05Å; Q153-G174 PolarHBondContact NE2-O 3.37Å
154	I	93.7	Very high	94.2	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65	-19.2	-177.3	65.6	172.1	0	0	0	112.9	D73 Y76 M77 Q80 I149 R156 V157 A186	D73-I154 HydrophobicContact CB-CD1 3.94Å; D73-I154 HydrophobicContact CB-CG2 4.5Å; D73-I154 WeakPolarHBondContact OD1-CD1 3.26Å; Y76-I154 HydrophobicContact CD2-CD1 4.31Å; M77-I154 HydrophobicContact CG-CB 3.97Å; M77-I154 HydrophobicContact CG-CG2 4.37Å; M77-I154 HydrophobicContact SD-CB 4.4Å; M77-I154 HydrophobicContact SD-CG2 4.21Å; Q80-I154 PolarHBondContact NE2-O 3.21Å; I149-I154 HydrophobicContact CG2-CG2 4.23Å; I154-R156 PolarHBondContact O-N 3.06Å; I154-V157 WeakPolarHBondContact O-CB 3.49Å; I154-V157 WeakPolarHBondContact O-CG1 3.21Å; I154-V157 PolarHBondContact O-N 3.04Å; I154-A186 HydrophobicContact CD1-CB 3.78Å; I154-A186 HydrophobicContact CG1-CB 3.45Å; I154-A186 VanDerWaalsContact CG1-CB 3.45Å
155	D	92.7	Very high	94.3	Very high	47 Å²	47	21.9 Å²	21.9	25%	0.251	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-72.8	-8.9	172.3	65.3	-63.6	0	0	0	113.7	Q80 Q153 K176 A186 L190	Q80-D155 VanDerWaalsContact OE1-C 3.25Å; Q80-D155 PolarHBondContact OE1-O 3.44Å; Q153-D155 PolarHBondContact O-N 3.08Å; D155-K176 WeakPolarHBondContact OD1-CE 3.36Å; D155-K176 IonicContact OD1-NZ 2.79Å; D155-K176 PolarHBondContact OD1-NZ 2.78Å; D155-K176 IonicContact OD2-NZ 3.21Å; D155-K176 PolarHBondContact OD2-NZ 3.04Å; D155-A186 HydrophobicContact CB-CB 4.2Å; D155-L190 HydrophobicContact CB-CD1 3.77Å
156	R	93.9	Very high	94.4	Very high	89 Å²	89	23.2 Å²	23.2	34%	0.336	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-110.5	20.4	176	-63.6	178.9	64.6	-170	3.2	111.9	Q153 I154 V158 E159 V160 L172	Q153-R156 PolarHBondContact O-N 3.04Å; I154-R156 PolarHBondContact O-N 3.06Å; R156-V158 PolarHBondContact O-N 3.02Å; R156-E159 IonicContact CZ-OE1 3.79Å; R156-E159 IonicContact CZ-OE2 3.2Å; R156-E159 IonicContact NE-OE2 2.72Å; R156-E159 PolarHBondContact NE-OE2 3.39Å; R156-E159 IonicContact NH2-OE1 3.33Å; R156-E159 PolarHBondContact NH2-OE1 3.16Å; R156-E159 IonicContact NH2-OE2 3.17Å; R156-E159 PolarHBondContact NH2-OE2 2.72Å; R156-E159 PolarHBondContact O-N 2.9Å; R156-V160 PolarHBondContact O-N 3.04Å; R156-L172 HydrophobicContact CB-CD1 3.67Å; R156-L172 HydrophobicContact CG-CD1 4.5Å
157	V	96.6	Very high	94.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.1	-39.1	-180	60.2	0	0	0	0	112.1	M77 Q80 L81 L99 I149 I154 E159 V160 V161	M77-V157 HydrophobicContact CB-CB 4.41Å; M77-V157 HydrophobicContact CB-CG1 4.36Å; M77-V157 HydrophobicContact CB-CG2 4.09Å; M77-V157 HydrophobicContact CG-CB 4Å; M77-V157 HydrophobicContact CG-CG1 4.28Å; M77-V157 HydrophobicContact CG-CG2 4Å; M77-V157 HydrophobicContact SD-CG2 4.22Å; Q80-V157 HydrophobicContact CB-CG1 3.83Å; L81-V157 HydrophobicContact CD1-CG2 3.86Å; L81-V157 HydrophobicContact CD2-CG2 4.19Å; L81-V157 HydrophobicContact CG-CG1 4.24Å; L81-V157 HydrophobicContact CG-CG2 4.02Å; L99-V157 HydrophobicContact CD2-CG2 4.12Å; I149-V157 HydrophobicContact CD1-CB 3.96Å; I149-V157 HydrophobicContact CD1-CG2 3.63Å; I154-V157 WeakPolarHBondContact O-CB 3.49Å; I154-V157 WeakPolarHBondContact O-CG1 3.21Å; I154-V157 PolarHBondContact O-N 3.04Å; V157-E159 PolarHBondContact O-N 3.45Å; V157-V160 PolarHBondContact O-N 3.45Å; V157-V161 HydrophobicContact CG2-CG2 4.07Å; V157-V161 WeakPolarHBondContact O-CB 3.29Å; V157-V161 WeakPolarHBondContact O-CG2 3.3Å; V157-V161 PolarHBondContact O-N 2.76Å
158	V	96.1	Very high	94	Very high	29 Å²	29	30.2 Å²	30.2	18%	0.176	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-47.6	-178.4	-177	0	0	0	0	110.4	Q80 L81 S84 R156 V160 V161 D162	Q80-V158 HydrophobicContact CB-CG2 4.15Å; L81-V158 HydrophobicContact CD2-CG2 4.3Å; S84-V158 VanDerWaalsContact OG-CG2 3.28Å; S84-V158 WeakPolarHBondContact OG-CG2 3.43Å; R156-V158 PolarHBondContact O-N 3.02Å; V158-V160 VanDerWaalsContact C-N 3.34Å; V158-V160 PolarHBondContact O-N 3.03Å; V158-V161 PolarHBondContact O-N 2.92Å; V158-D162 WeakPolarHBondContact O-CB 3.37Å; V158-D162 VanDerWaalsContact O-CG 3.27Å; V158-D162 PolarHBondContact O-N 3.11Å
159	E	95.3	Very high	93.8	Very high	80 Å²	80	33.3 Å²	33.3	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-57.3	-45.6	176.7	180	-172.1	160.8	0	0	112.1	R156 V157 E163	R156-E159 IonicContact CZ-OE1 3.79Å; R156-E159 IonicContact CZ-OE2 3.2Å; R156-E159 IonicContact NE-OE2 2.72Å; R156-E159 PolarHBondContact NE-OE2 3.39Å; R156-E159 IonicContact NH2-OE1 3.33Å; R156-E159 PolarHBondContact NH2-OE1 3.16Å; R156-E159 IonicContact NH2-OE2 3.17Å; R156-E159 PolarHBondContact NH2-OE2 2.72Å; R156-E159 PolarHBondContact O-N 2.9Å; V157-E159 PolarHBondContact O-N 3.45Å; E159-E163 WeakPolarHBondContact O-CG 3.5Å; E159-E163 PolarHBondContact O-N 2.95Å; E159-E163 VanDerWaalsContact O-N 3.14Å
160	V	96.4	Very high	93.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.8	-37.8	-178.3	178.6	0	0	0	0	111.5	V128 I149 R156 V157 V158 A164 V170 L172	V128-V160 HydrophobicContact CG1-CG1 3.88Å; V128-V160 HydrophobicContact CG2-CG1 4.43Å; I149-V160 HydrophobicContact CD1-CB 4.1Å; I149-V160 HydrophobicContact CD1-CG1 4.19Å; I149-V160 HydrophobicContact CG1-CB 3.88Å; I149-V160 HydrophobicContact CG1-CG1 3.75Å; I149-V160 HydrophobicContact CG1-CG2 3.95Å; R156-V160 PolarHBondContact O-N 3.04Å; V157-V160 PolarHBondContact O-N 3.45Å; V158-V160 VanDerWaalsContact C-N 3.34Å; V158-V160 PolarHBondContact O-N 3.03Å; V160-A164 VanDerWaalsContact O-CB 3.25Å; V160-A164 WeakPolarHBondContact O-CB 3.39Å; V160-A164 PolarHBondContact O-N 2.94Å; V160-V170 HydrophobicContact CG1-CB 4.38Å; V160-V170 HydrophobicContact CG2-CG1 4.07Å; V160-L172 HydrophobicContact CG2-CD1 3.44Å; V160-L172 VanDerWaalsContact CG2-CD1 3.44Å; V160-L172 HydrophobicContact CG2-CG 3.75Å
161	V	96.6	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-43.4	177.3	169.7	0	0	0	0	111	I60 L81 Y86 L97 V128 V157 V158 E163 A164 V165	I60-V161 HydrophobicContact CD1-CG1 3.7Å; L81-V161 HydrophobicContact CD1-CG2 4.37Å; L81-V161 HydrophobicContact CD2-CB 3.86Å; L81-V161 HydrophobicContact CD2-CG1 3.94Å; L81-V161 HydrophobicContact CD2-CG2 3.84Å; Y86-V161 HydrophobicContact CE1-CG1 4.03Å; Y86-V161 HydrophobicContact CE2-CG1 4.06Å; L97-V161 HydrophobicContact CD1-CG1 4.12Å; L97-V161 HydrophobicContact CD2-CG1 4.44Å; L97-V161 HydrophobicContact CD2-CG2 4.37Å; V128-V161 HydrophobicContact CG2-CG2 4.2Å; V157-V161 HydrophobicContact CG2-CG2 4.07Å; V157-V161 WeakPolarHBondContact O-CB 3.29Å; V157-V161 WeakPolarHBondContact O-CG2 3.3Å; V157-V161 PolarHBondContact O-N 2.76Å; V158-V161 PolarHBondContact O-N 2.92Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3Å; V161-A164 PolarHBondContact O-N 3.16Å; V161-V165 HydrophobicContact CG1-CG2 4.32Å; V161-V165 WeakPolarHBondContact O-CB 3.25Å; V161-V165 VanDerWaalsContact O-CG2 3.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.44Å; V161-V165 PolarHBondContact O-N 2.92Å
162	D	95.3	Very high	94	Very high	41 Å²	41	41.1 Å²	41.1	22%	0.219	21%	0.213	C	C	.	.	H	α-helix	trans	-54.8	-49.2	175.9	-78.1	-1.7	0	0	0	111.1	P55 Y86 V158 V165 K166	P55-D162 HydrophobicContact CB-CB 4.2Å; P55-D162 WeakPolarHBondContact CB-OD1 3.36Å; Y86-D162 PolarHBondContact OH-OD1 3.43Å; V158-D162 WeakPolarHBondContact O-CB 3.37Å; V158-D162 VanDerWaalsContact O-CG 3.27Å; V158-D162 PolarHBondContact O-N 3.11Å; D162-V165 PolarHBondContact O-N 2.93Å; D162-K166 WeakPolarHBondContact O-CG 3.48Å; D162-K166 PolarHBondContact O-N 3.49Å; D162-K166 VanDerWaalsContact O-N 3.1Å
163	E	94.9	Very high	94	Very high	51 Å²	51	43 Å²	43	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-69.2	-38.2	179.8	-68.3	-56.2	119.7	0	0	111.9	E159 V161 V165 K166 G167 H168 V170	E159-E163 WeakPolarHBondContact O-CG 3.5Å; E159-E163 PolarHBondContact O-N 2.95Å; E159-E163 VanDerWaalsContact O-N 3.14Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 2.92Å; E163-K166 PolarHBondContact O-N 3.28Å; E163-K166 VanDerWaalsContact O-N 3.12Å; E163-K166 IonicContact OE1-NZ 3.77Å; E163-K166 PolarHBondContact OE1-NZ 2.82Å; E163-G167 PolarHBondContact O-N 3.01Å; E163-H168 HydrophobicContact CB-CB 4.21Å; E163-H168 WeakPolarHBondContact O-CB 3.43Å; E163-H168 PolarHBondContact O-N 2.66Å; E163-H168 IonicContact OE2-CE1 2.63Å; E163-H168 IonicContact OE2-CG 3.7Å; E163-H168 IonicContact OE2-ND1 2.73Å; E163-H168 PolarHBondContact OE2-ND1 3.04Å; E163-V170 HydrophobicContact CB-CG2 3.43Å; E163-V170 VanDerWaalsContact CB-CG2 3.43Å; E163-V170 HydrophobicContact CG-CG2 3.88Å
164	A	94.4	Very high	93.7	Very high	7 Å²	7	44.2 Å²	44.2	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-38.8	173.3	0	0	0	0	0	112.1	L97 K126 V128 V160 V161 K166 G167 H168	L97-A164 HydrophobicContact CD1-CB 3.86Å; K126-A164 WeakPolarHBondContact CD-O 3.3Å; V128-A164 HydrophobicContact CG2-CB 3.56Å; V160-A164 VanDerWaalsContact O-CB 3.25Å; V160-A164 WeakPolarHBondContact O-CB 3.39Å; V160-A164 PolarHBondContact O-N 2.94Å; V161-A164 PolarHBondContact O-N 3.16Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 3.3Å; A164-G167 PolarHBondContact O-N 2.86Å; A164-H168 WeakPolarHBondContact CA-O 3.36Å
165	V	93.5	Very high	93	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-33.5	173.7	170.8	0	0	0	0	111.3	L53 Q58 Y86 L97 K126 V161 D162 E163 G167	L53-V165 HydrophobicContact CD2-CG1 3.91Å; Q58-V165 HydrophobicContact CG-CG1 4.16Å; Q58-V165 HydrophobicContact CG-CG2 4.5Å; Y86-V165 HydrophobicContact CE1-CG2 4.46Å; L97-V165 HydrophobicContact CD1-CG2 3.92Å; K126-V165 WeakPolarHBondContact CE-O 3.49Å; K126-V165 PolarHBondContact NZ-O 3.29Å; V161-V165 HydrophobicContact CG1-CG2 4.32Å; V161-V165 WeakPolarHBondContact O-CB 3.25Å; V161-V165 VanDerWaalsContact O-CG2 3.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.44Å; V161-V165 PolarHBondContact O-N 2.92Å; D162-V165 PolarHBondContact O-N 2.93Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 2.92Å; V165-G167 PolarHBondContact O-N 3.26Å
166	K	92	Very high	92.2	Very high	95 Å²	95	49.7 Å²	49.7	41%	0.413	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.6	173.7	-64	166.8	-161	167.1	0	113.6	D162 E163 A164	D162-K166 WeakPolarHBondContact O-CG 3.48Å; D162-K166 PolarHBondContact O-N 3.49Å; D162-K166 VanDerWaalsContact O-N 3.1Å; E163-K166 PolarHBondContact O-N 3.28Å; E163-K166 VanDerWaalsContact O-N 3.12Å; E163-K166 IonicContact OE1-NZ 3.77Å; E163-K166 PolarHBondContact OE1-NZ 2.82Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 3.3Å
167	G	90.4	Very high	91.5	Very high	60 Å²	60	52.1 Å²	52.1	62%	0.619	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	9.3	-177.7	0	0	0	0	0	114	E163 A164 V165	E163-G167 PolarHBondContact O-N 3.01Å; A164-G167 PolarHBondContact O-N 2.86Å; V165-G167 PolarHBondContact O-N 3.26Å
168	H	93.2	Very high	90.4	Very high	107 Å²	107	57.6 Å²	57.6	50%	0.495	31%	0.305	S	S	.	.			trans	-86.5	154.8	173.9	-56.5	154.2	0	0	0	111.4	S147 E163 A164	S147-H168 PolarHBondContact OG-O 3.03Å; E163-H168 HydrophobicContact CB-CB 4.21Å; E163-H168 WeakPolarHBondContact O-CB 3.43Å; E163-H168 PolarHBondContact O-N 2.66Å; E163-H168 IonicContact OE2-CE1 2.63Å; E163-H168 IonicContact OE2-CG 3.7Å; E163-H168 IonicContact OE2-ND1 2.73Å; E163-H168 PolarHBondContact OE2-ND1 3.04Å; A164-H168 WeakPolarHBondContact CA-O 3.36Å
169	S	93.1	Very high	89.2	Confident	64 Å²	64	60 Å²	60	45%	0.448	34%	0.336	S	S	.	.			trans	-107.2	119.4	174.6	-174.6	0	0	0	0	109.5	G145 L146 S147	G145-S169 PolarHBondContact O-OG 2.7Å; G145-S169 VanDerWaalsContact O-OG 3.13Å; L146-S169 PolarHBondContact O-OG 2.86Å; S147-S169 WeakPolarHBondContact OG-CA 3.49Å
170	V	94.8	Very high	88	Confident	27 Å²	27	59.3 Å²	59.3	16%	0.164	35%	0.351	C	S	.	.			trans	-120.8	134.1	-179.2	-179.3	0	0	0	0	110	S147 I148 V160 E163 L172	S147-V170 CarbonylContact C-O 3.55Å; S147-V170 WeakPolarHBondContact CA-O 3.45Å; S147-V170 PolarHBondContact OG-N 2.9Å; I148-V170 PolarHBondContact N-O 2.91Å; V160-V170 HydrophobicContact CG1-CB 4.38Å; V160-V170 HydrophobicContact CG2-CG1 4.07Å; E163-V170 HydrophobicContact CB-CG2 3.43Å; E163-V170 VanDerWaalsContact CB-CG2 3.43Å; E163-V170 HydrophobicContact CG-CG2 3.88Å; V170-L172 HydrophobicContact CG1-CD2 4.06Å; V170-L172 HydrophobicContact CG1-CG 4.05Å
171	R	95.4	Very high	86.9	Confident	117 Å²	117	68.2 Å²	68.2	44%	0.442	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	102.2	-177.9	-56.7	-175.4	69.4	-176.8	6.3	110.7	P138 I148	P138-R171 PolarHBondContact O-NH2 3.05Å; I148-R171 HydrophobicContact CB-CB 4.42Å; I148-R171 HydrophobicContact CB-CG 4.32Å; I148-R171 VanDerWaalsContact CD1-NH2 3.27Å; I148-R171 HydrophobicContact CG1-CG 4.22Å; I148-R171 WeakPolarHBondContact O-CA 3.36Å
172	L	93.9	Very high	86	Confident	24 Å²	24	70.6 Å²	70.6	13%	0.126	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	93	178.3	-59.6	-172.7	0	0	0	110.4	I148 G150 Q153 R156 V160 V170	I148-L172 PolarHBondContact O-N 3.04Å; G150-L172 WeakPolarHBondContact CA-O 3.24Å; G150-L172 PolarHBondContact N-O 3.41Å; Q153-L172 HydrophobicContact CB-CB 3.93Å; Q153-L172 HydrophobicContact CG-CB 4.05Å; R156-L172 HydrophobicContact CB-CD1 3.67Å; R156-L172 HydrophobicContact CG-CD1 4.5Å; V160-L172 HydrophobicContact CG2-CD1 3.44Å; V160-L172 VanDerWaalsContact CG2-CD1 3.44Å; V160-L172 HydrophobicContact CG2-CG 3.75Å; V170-L172 HydrophobicContact CG1-CD2 4.06Å; V170-L172 HydrophobicContact CG1-CG 4.05Å
173	L	90.5	Very high	85.4	Confident	45 Å²	45	72 Å²	72	24%	0.236	40%	0.401	C	S	.	.			trans	-115.7	5.2	-178	-66.7	172.3	0	0	0	113.5	Q135 P138 I148	Q135-L173 PolarHBondContact NE2-O 3.02Å; P138-L173 HydrophobicContact CB-CD1 3.56Å; P138-L173 HydrophobicContact CG-CD1 4.23Å; I148-L173 HydrophobicContact CG2-CD2 3.68Å; I148-L173 HydrophobicContact CG2-CG 4.32Å
174	G	85.1	Confident	84.4	Confident	41 Å²	41	69.8 Å²	69.8	42%	0.423	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-66.5	151	-175.3	0	0	0	0	0	112.9	Q153	Q153-G174 PolarHBondContact NE2-O 3.37Å
175	Q	79.3	Confident	83.8	Confident	121 Å²	121	70 Å²	70	57%	0.565	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-83.1	144.6	171	-68.4	-177.3	-26.2	0	0	110.6	Q152	Q152-Q175 VanDerWaalsContact OE1-CA 3.24Å
176	K	76.4	Confident	83.3	Confident	44 Å²	44	70.1 Å²	70.1	19%	0.191	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-94.6	133.7	173.3	-73.9	-170.4	168.4	-176.1	0	111.6	Q152 D155 L183	Q152-K176 VanDerWaalsContact O-CD 3.3Å; Q152-K176 WeakPolarHBondContact O-CD 3.32Å; Q152-K176 VanDerWaalsContact O-CE 3.32Å; Q152-K176 WeakPolarHBondContact O-CE 3.39Å; D155-K176 WeakPolarHBondContact OD1-CE 3.36Å; D155-K176 IonicContact OD1-NZ 2.79Å; D155-K176 PolarHBondContact OD1-NZ 2.78Å; D155-K176 IonicContact OD2-NZ 3.21Å; D155-K176 PolarHBondContact OD2-NZ 3.04Å; K176-L183 HydrophobicContact CB-CB 4.47Å; K176-L183 HydrophobicContact CB-CD1 4.34Å; K176-L183 PolarHBondContact O-N 2.9Å
177	K	78.4	Confident	83.2	Confident	141 Å²	141	73.3 Å²	73.3	61%	0.613	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.9	174.1	-61.8	-176.1	-179.9	-176.5	0	109.7	R181	K177-R181 CarbonylContact C-O 2.95Å; K177-R181 WeakPolarHBondContact CA-O 3.39Å
178	D	73.6	Confident	83.2	Confident	114 Å²	114	70.7 Å²	70.7	61%	0.61	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.4	169.3	-174.9	21.1	0	0	0	109	G180 R181 L183	D178-G180 PolarHBondContact O-N 2.89Å; D178-R181 PolarHBondContact N-O 2.68Å; D178-R181 PolarHBondContact O-N 2.92Å; D178-L183 HydrophobicContact CB-CD1 4.09Å; D178-L183 HydrophobicContact CB-CD2 3.77Å; D178-L183 HydrophobicContact CB-CG 4.03Å
179	G	70	Confident	83.1	Confident	80 Å²	80	69.6 Å²	69.6	83%	0.825	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	26.8	-174.4	0	0	0	0	0	114.7	R181	G179-R181 VanDerWaalsContact C-N 3.28Å; G179-R181 PolarHBondContact O-N 3.13Å
180	G	71.1	Confident	83.1	Confident	66 Å²	66	67.9 Å²	67.9	68%	0.68	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-9.4	-174.6	0	0	0	0	0	115.5	D178	D178-G180 PolarHBondContact O-N 2.89Å
181	R	72.6	Confident	83.1	Confident	187 Å²	187	67.5 Å²	67.5	71%	0.706	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	149.5	174.3	-66.1	-174.1	-175.5	-178	1.4	111	K177 D178 G179	K177-R181 CarbonylContact C-O 2.95Å; K177-R181 WeakPolarHBondContact CA-O 3.39Å; D178-R181 PolarHBondContact N-O 2.68Å; D178-R181 PolarHBondContact O-N 2.92Å; G179-R181 VanDerWaalsContact C-N 3.28Å; G179-R181 PolarHBondContact O-N 3.13Å
182	R	78.8	Confident	83.1	Confident	50 Å²	50	61.9 Å²	61.9	19%	0.189	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.8	175.9	-168.2	174.4	-167.6	-142.9	-11	109.6	Q152 R221 D223 A225	Q152-R182 VanDerWaalsContact NE2-CZ 3.28Å; Q152-R182 VanDerWaalsContact NE2-NE 3.13Å; R182-R221 PolarHBondContact NH1-O 2.76Å; R182-R221 VanDerWaalsContact NH2-C 3.33Å; R182-R221 PolarHBondContact NH2-O 3.24Å; R182-D223 PolarHBondContact NH1-O 3.49Å; R182-A225 HydrophobicContact CB-CB 4Å; R182-A225 HydrophobicContact CG-CB 3.93Å
183	L	81.3	Confident	83.1	Confident	70 Å²	70	61.8 Å²	61.8	37%	0.366	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-85.1	151.3	176.2	-67.2	177.6	0	0	0	111.6	K176 D178 G185 A225	K176-L183 HydrophobicContact CB-CB 4.47Å; K176-L183 HydrophobicContact CB-CD1 4.34Å; K176-L183 PolarHBondContact O-N 2.9Å; D178-L183 HydrophobicContact CB-CD1 4.09Å; D178-L183 HydrophobicContact CB-CD2 3.77Å; D178-L183 HydrophobicContact CB-CG 4.03Å; L183-G185 PolarHBondContact O-N 3.45Å; L183-A225 WeakPolarHBondContact O-CB 3.4Å
184	G	75.1	Confident	83.3	Confident	5 Å²	5	60.1 Å²	60.1	5%	0.052	33%	0.327	C	S	.	.			trans	-61.9	-8.9	179.3	0	0	0	0	0	115.4	T206 A225 Y227	G184-T206 VanDerWaalsContact C-CG2 3.42Å; G184-T206 WeakPolarHBondContact O-CB 3.34Å; G184-T206 WeakPolarHBondContact O-CG2 3.47Å; G184-T206 PolarHBondContact O-N 3.42Å; G184-A225 VanDerWaalsContact CA-O 3.32Å; G184-A225 WeakPolarHBondContact CA-O 3.27Å; G184-Y227 VanDerWaalsContact C-OH 3.28Å; G184-Y227 WeakPolarHBondContact O-CE2 3.48Å; G184-Y227 PolarHBondContact O-OH 3.03Å
185	G	81.5	Confident	83.6	Confident	12 Å²	12	63.2 Å²	63.2	12%	0.124	33%	0.329	C	S	.	.	S	Bend	trans	135.7	-142.1	-178.9	0	0	0	0	0	110.7	L183 Y227	L183-G185 PolarHBondContact O-N 3.45Å; G185-Y227 VanDerWaalsContact CA-OH 3.3Å; G185-Y227 WeakPolarHBondContact CA-OH 3.32Å; G185-Y227 PolarHBondContact N-OH 3.35Å
186	A	82.7	Confident	84.3	Confident	3 Å²	3	58.7 Å²	58.7	3%	0.025	31%	0.309	C	S	.	.	S	Bend	trans	-73.6	159.1	169.7	0	0	0	0	0	110.9	I154 D155 L190 Y227	I154-A186 HydrophobicContact CD1-CB 3.78Å; I154-A186 HydrophobicContact CG1-CB 3.45Å; I154-A186 VanDerWaalsContact CG1-CB 3.45Å; D155-A186 HydrophobicContact CB-CB 4.2Å; A186-L190 HydrophobicContact CB-CD1 3.67Å; A186-Y227 PolarHBondContact N-OH 3.16Å; A186-Y227 VanDerWaalsContact O-CE1 3.29Å; A186-Y227 WeakPolarHBondContact O-CE1 3.48Å; A186-Y227 PolarHBondContact O-OH 3.2Å
187	R	89.4	Confident	85.2	Confident	162 Å²	162	57.8 Å²	57.8	61%	0.611	31%	0.307	S	S	*	.			trans	-66.7	144	179.8	-58.4	164.8	55.9	135.5	-0.3	110.1	D189 L190	R187-D189 VanDerWaalsContact C-N 3.27Å; R187-D189 WeakPolarHBondContact CB-OD1 3.25Å; R187-D189 IonicContact CZ-OD1 3.28Å; R187-D189 IonicContact CZ-OD2 3.23Å; R187-D189 IonicContact NE-OD1 3.53Å; R187-D189 PolarHBondContact NE-OD1 2.98Å; R187-D189 IonicContact NE-OD2 2.7Å; R187-D189 PolarHBondContact NE-OD2 3.45Å; R187-D189 IonicContact NH2-OD1 3.66Å; R187-D189 IonicContact NH2-OD2 2.86Å; R187-D189 PolarHBondContact NH2-OD2 3.36Å; R187-D189 PolarHBondContact O-N 3.43Å; R187-L190 HydrophobicContact CB-CG 4.25Å; R187-L190 WeakPolarHBondContact O-CB 3.46Å; R187-L190 WeakPolarHBondContact O-CD1 3.47Å; R187-L190 VanDerWaalsContact O-CG 3.32Å; R187-L190 WeakPolarHBondContact O-CG 3.38Å; R187-L190 PolarHBondContact O-N 3.03Å
188	L	91.6	Very high	86	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.4	-177.4	-62.6	177.5	0	0	0	113.4	Y76 L190 Y227 E231 L232 R235	Y76-L188 WeakPolarHBondContact OH-CA 3.43Å; Y76-L188 WeakPolarHBondContact OH-CD2 3.42Å; Y76-L188 PolarHBondContact OH-O 3.23Å; L188-L190 PolarHBondContact O-N 2.93Å; L188-Y227 HydrophobicContact CD1-CD1 3.76Å; L188-Y227 HydrophobicContact CD1-CD2 4.32Å; L188-Y227 HydrophobicContact CD1-CE1 4.24Å; L188-Y227 HydrophobicContact CD1-CG 3.8Å; L188-Y227 HydrophobicContact CD2-CD1 4.3Å; L188-Y227 HydrophobicContact CD2-CD2 4.37Å; L188-Y227 HydrophobicContact CD2-CE1 3.96Å; L188-Y227 HydrophobicContact CD2-CE2 4.07Å; L188-Y227 HydrophobicContact CD2-CG 4.48Å; L188-Y227 HydrophobicContact CG-CD1 3.75Å; L188-Y227 HydrophobicContact CG-CE1 3.71Å; L188-Y227 HydrophobicContact CG-CG 4.18Å; L188-E231 HydrophobicContact CD1-CB 4.06Å; L188-L232 HydrophobicContact CD1-CD2 3.48Å; L188-L232 VanDerWaalsContact CD1-CD2 3.48Å; L188-L232 HydrophobicContact CD1-CG 4.12Å; L188-R235 HydrophobicContact CB-CB 4.36Å; L188-R235 WeakPolarHBondContact O-CD 3.23Å
189	D	90.8	Very high	87.1	Confident	84 Å²	84	46.4 Å²	46.4	45%	0.449	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.3	176.3	66.1	-18.2	0	0	0	113.5	R187	R187-D189 VanDerWaalsContact C-N 3.27Å; R187-D189 WeakPolarHBondContact CB-OD1 3.25Å; R187-D189 IonicContact CZ-OD1 3.28Å; R187-D189 IonicContact CZ-OD2 3.23Å; R187-D189 IonicContact NE-OD1 3.53Å; R187-D189 PolarHBondContact NE-OD1 2.98Å; R187-D189 IonicContact NE-OD2 2.7Å; R187-D189 PolarHBondContact NE-OD2 3.45Å; R187-D189 IonicContact NH2-OD1 3.66Å; R187-D189 IonicContact NH2-OD2 2.86Å; R187-D189 PolarHBondContact NH2-OD2 3.36Å; R187-D189 PolarHBondContact O-N 3.43Å
190	L	93.4	Very high	88.4	Confident	28 Å²	28	42.6 Å²	42.6	15%	0.147	21%	0.213	C	C	.	.	S	Bend	trans	-67	148.4	175.9	-71.5	174.4	0	0	0	111.5	Y76 D155 A186 R187 L188	Y76-L190 HydrophobicContact CD1-CB 3.67Å; Y76-L190 HydrophobicContact CE1-CB 3.95Å; Y76-L190 WeakPolarHBondContact CE1-O 3.38Å; D155-L190 HydrophobicContact CB-CD1 3.77Å; A186-L190 HydrophobicContact CB-CD1 3.67Å; R187-L190 HydrophobicContact CB-CG 4.25Å; R187-L190 WeakPolarHBondContact O-CB 3.46Å; R187-L190 WeakPolarHBondContact O-CD1 3.47Å; R187-L190 VanDerWaalsContact O-CG 3.32Å; R187-L190 WeakPolarHBondContact O-CG 3.38Å; R187-L190 PolarHBondContact O-N 3.03Å; L188-L190 PolarHBondContact O-N 2.93Å
191	P	94.8	Very high	89.7	Confident	19 Å²	19	39.9 Å²	39.9	12%	0.123	18%	0.183	C	C	.	.			trans	-65.1	145.9	178.9	25.4	-33.6	0	0	0	112	Q80 A83 V505 S506	Q80-P191 HydrophobicContact CG-CG 3.92Å; A83-P191 HydrophobicContact CB-CG 4.14Å; P191-V505 HydrophobicContact CB-CG1 3.47Å; P191-V505 VanDerWaalsContact CB-CG1 3.47Å; P191-S506 WeakPolarHBondContact CA-O 3.36Å; P191-S506 WeakPolarHBondContact CB-O 3.37Å
192	K	94.4	Very high	90.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-125.3	148.4	175.5	-75	-161.7	-178.9	178.4	0	112.3	S72 E75 Y76 E200 I201 V505 S506	S72-K192 PolarHBondContact OG-NZ 3.4Å; E75-K192 HydrophobicContact CB-CB 4.29Å; E75-K192 HydrophobicContact CB-CD 3.88Å; E75-K192 HydrophobicContact CB-CG 4.2Å; E75-K192 WeakPolarHBondContact O-CA 3.34Å; E75-K192 IonicContact OE2-NZ 3.36Å; Y76-K192 HydrophobicContact CD1-CD 4.12Å; Y76-K192 HydrophobicContact CD1-CG 3.39Å; Y76-K192 HydrophobicContact CE1-CD 4.02Å; Y76-K192 HydrophobicContact CE1-CG 3.58Å; Y76-K192 HydrophobicContact CG-CD 4.42Å; Y76-K192 HydrophobicContact CG-CG 3.95Å; Y76-K192 WeakPolarHBondContact OH-CE 3.48Å; K192-E200 WeakPolarHBondContact CE-OE1 3.49Å; K192-E200 IonicContact NZ-OE1 3.63Å; K192-E200 PolarHBondContact NZ-OE1 3.01Å; K192-I201 PolarHBondContact NZ-O 2.79Å; K192-V505 CarbonylContact O-C 3.59Å; K192-V505 WeakPolarHBondContact O-CA 3.17Å; K192-S506 PolarHBondContact N-O 2.87Å; K192-S506 VanDerWaalsContact N-O 3.11Å; K192-S506 WeakPolarHBondContact O-CB 3.49Å; K192-S506 PolarHBondContact O-N 3.31Å
193	I	94.9	Very high	91.6	Very high	21 Å²	21	28.7 Å²	28.7	11%	0.108	14%	0.141	C	C	.	.			trans	-107.5	110.7	154.6	-70.8	171.4	0	0	0	107.2	E75 A78 A82 M88 V505	E75-I193 WeakPolarHBondContact CA-O 3.46Å; E75-I193 VanDerWaalsContact CB-O 3.3Å; E75-I193 WeakPolarHBondContact CB-O 3.38Å; E75-I193 VanDerWaalsContact CG-O 3.29Å; E75-I193 WeakPolarHBondContact CG-O 3.38Å; E75-I193 PolarHBondContact O-N 2.98Å; A78-I193 HydrophobicContact CB-CB 4.02Å; A78-I193 HydrophobicContact CB-CD1 4.31Å; A82-I193 HydrophobicContact CB-CD1 3.48Å; A82-I193 VanDerWaalsContact CB-CD1 3.48Å; A82-I193 HydrophobicContact CB-CG1 4.47Å; M88-I193 HydrophobicContact CG-CD1 3.8Å; I193-V505 HydrophobicContact CD1-CG2 4.24Å; I193-V505 HydrophobicContact CG1-CG2 4.08Å
194	R	94.1	Very high	92.4	Very high	11 Å²	11	25.4 Å²	25.4	4%	0.042	12%	0.124	C	C	.	.			trans	-71.9	138.1	179.4	-65	-178.3	-179	97.1	7.3	110.8	E75 I199 E200 S239 E242 S506	E75-R194 WeakPolarHBondContact OE1-CA 3.49Å; R194-I199 WeakPolarHBondContact CD-O 3.34Å; R194-E200 IonicContact CZ-OE2 3.48Å; R194-E200 IonicContact NE-OE2 2.71Å; R194-E200 PolarHBondContact NE-OE2 3.36Å; R194-E200 IonicContact NH2-OE2 3.41Å; R194-E200 PolarHBondContact NH2-OE2 3.46Å; R194-S239 PolarHBondContact NH2-OG 2.86Å; R194-E242 IonicContact CZ-OE2 3.78Å; R194-E242 IonicContact NH1-OE2 2.69Å; R194-E242 PolarHBondContact NH1-OE2 3.06Å; R194-E242 IonicContact NH2-OE2 3.94Å; R194-E242 PolarHBondContact NH2-OE2 3.43Å; R194-S506 PolarHBondContact NH2-OG 3.2Å; R194-S506 VanDerWaalsContact NH2-OG 3.14Å
195	K	92.1	Very high	93.4	Very high	106 Å²	106	25.1 Å²	25.1	46%	0.461	12%	0.121	S	C	.	.	S	Bend	trans	-67.2	-43.1	170.9	-74.2	-175.9	174.1	-178	0	111.4	N71 E75	N71-K195 PolarHBondContact OD1-NZ 3.25Å; E75-K195 PolarHBondContact OE1-N 2.84Å
196	N	94.1	Very high	93.9	Very high	26 Å²	26	24.7 Å²	24.7	14%	0.139	12%	0.116	C	C	.	.	S	Bend	trans	-115.1	112.4	171	-173.3	-15.5	0	0	0	108.5	L198 I199 T437 E438	N196-L198 PolarHBondContact O-N 3.14Å; N196-L198 WeakPolarHBondContact OD1-CB 3.1Å; N196-L198 PolarHBondContact OD1-N 3.36Å; N196-L198 VanDerWaalsContact OD1-N 3.08Å; N196-I199 HydrophobicContact CB-CB 4.31Å; N196-I199 HydrophobicContact CB-CD1 4.34Å; N196-I199 HydrophobicContact CB-CG1 4.24Å; N196-I199 WeakPolarHBondContact ND2-CD1 3.37Å; N196-I199 PolarHBondContact O-N 3.32Å; N196-I199 VanDerWaalsContact O-O 3.1Å; N196-T437 PolarHBondContact ND2-O 2.78Å; N196-E438 WeakPolarHBondContact ND2-CG 3.44Å
197	P	93.8	Very high	94.4	Very high	24 Å²	24	24.5 Å²	24.5	16%	0.156	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.5	-178.9	-24	33.4	0	0	0	115.1	P499 L500 K502	P197-P499 HydrophobicContact CB-CB 4.36Å; P197-L500 WeakPolarHBondContact CB-O 3.37Å; P197-K502 HydrophobicContact CG-CB 4.41Å
198	L	95.9	Very high	94.5	Very high	9 Å²	9	17.5 Å²	17.5	5%	0.047	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.4	179.6	-62.9	175	0	0	0	113.8	N196 V244 C245 E246 K465 P499	N196-L198 PolarHBondContact O-N 3.14Å; N196-L198 WeakPolarHBondContact OD1-CB 3.1Å; N196-L198 PolarHBondContact OD1-N 3.36Å; N196-L198 VanDerWaalsContact OD1-N 3.08Å; L198-V244 WeakPolarHBondContact O-CG1 3.36Å; L198-C245 PolarHBondContact O-N 3.41Å; L198-E246 PolarHBondContact O-N 2.89Å; L198-E246 VanDerWaalsContact O-N 3.15Å; L198-K465 HydrophobicContact CD1-CG 3.9Å; L198-P499 HydrophobicContact CD2-CB 3.96Å; L198-P499 HydrophobicContact CD2-CG 3.46Å; L198-P499 VanDerWaalsContact CD2-CG 3.46Å
199	I	97.1	Very high	94.7	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.036	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.6	-172.4	-52	-177.6	0	0	0	110.1	R194 N196 E246 W248 T437	R194-I199 WeakPolarHBondContact CD-O 3.34Å; N196-I199 HydrophobicContact CB-CB 4.31Å; N196-I199 HydrophobicContact CB-CD1 4.34Å; N196-I199 HydrophobicContact CB-CG1 4.24Å; N196-I199 WeakPolarHBondContact ND2-CD1 3.37Å; N196-I199 PolarHBondContact O-N 3.32Å; N196-I199 VanDerWaalsContact O-O 3.1Å; I199-E246 VanDerWaalsContact CA-O 3.32Å; I199-E246 WeakPolarHBondContact CA-O 3.48Å; I199-E246 HydrophobicContact CG1-CB 4.23Å; I199-W248 HydrophobicContact CD1-CH2 4.3Å; I199-W248 HydrophobicContact CD1-CZ2 3.68Å; I199-W248 HydrophobicContact CG2-CD2 3.74Å; I199-W248 HydrophobicContact CG2-CE3 4.35Å; I199-W248 HydrophobicContact CG2-CG 3.86Å; I199-W248 HydrophobicContact CG2-CZ2 4.21Å; I199-T437 HydrophobicContact CG1-CG2 4.46Å
200	E	97	Very high	94.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.1	167.8	174.8	68.8	-166.6	0	0	110.4	K192 R194 I202 R235 S239 V244 E246 I247 W248	K192-E200 WeakPolarHBondContact CE-OE1 3.49Å; K192-E200 IonicContact NZ-OE1 3.63Å; K192-E200 PolarHBondContact NZ-OE1 3.01Å; R194-E200 IonicContact CZ-OE2 3.48Å; R194-E200 IonicContact NE-OE2 2.71Å; R194-E200 PolarHBondContact NE-OE2 3.36Å; R194-E200 IonicContact NH2-OE2 3.41Å; R194-E200 PolarHBondContact NH2-OE2 3.46Å; E200-I202 HydrophobicContact CG-CD1 4.08Å; E200-I202 HydrophobicContact CG-CG1 3.55Å; E200-R235 IonicContact OE1-CZ 2.71Å; E200-R235 IonicContact OE1-NE 2.68Å; E200-R235 PolarHBondContact OE1-NE 3.41Å; E200-R235 IonicContact OE1-NH2 3.02Å; E200-R235 PolarHBondContact OE1-NH2 3.43Å; E200-R235 IonicContact OE2-CZ 3.15Å; E200-R235 IonicContact OE2-NH2 3.33Å; E200-R235 PolarHBondContact OE2-NH2 3.2Å; E200-S239 VanDerWaalsContact CG-OG 3.29Å; E200-S239 WeakPolarHBondContact CG-OG 3.48Å; E200-V244 HydrophobicContact CB-CG1 3.94Å; E200-V244 HydrophobicContact CB-CG2 4.25Å; E200-E246 PolarHBondContact N-O 3.16Å; E200-I247 HydrophobicContact CB-CG1 4.46Å; E200-I247 CarbonylContact O-C 3.57Å; E200-I247 WeakPolarHBondContact O-CA 3.13Å; E200-W248 PolarHBondContact O-N 3.04Å
201	I	97.6	Very high	94.7	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.051	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.8	170.5	-51.1	175.6	0	0	0	109.4	N71 S72 K192 W248 T250	N71-I201 HydrophobicContact CB-CD1 4.09Å; S72-I201 PolarHBondContact OG-O 3.23Å; K192-I201 PolarHBondContact NZ-O 2.79Å; I201-W248 CarbonylContact C-O 3.48Å; I201-W248 WeakPolarHBondContact CA-O 3.45Å; I201-W248 HydrophobicContact CD1-CE3 4.05Å; I201-W248 HydrophobicContact CD1-CZ3 4.43Å; I201-W248 HydrophobicContact CG1-CB 4.28Å; I201-W248 HydrophobicContact CG1-CE3 3.97Å; I201-W248 HydrophobicContact CG2-CB 4.44Å; I201-T250 HydrophobicContact CG2-CG2 3.58Å
202	I	97.2	Very high	94.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.7	179.1	-52.7	-177.6	0	0	0	109.7	E200 I204 L232 R235 A236 I247 W248 L249 T250	E200-I202 HydrophobicContact CG-CD1 4.08Å; E200-I202 HydrophobicContact CG-CG1 3.55Å; I202-I204 PolarHBondContact O-N 2.77Å; I202-L232 HydrophobicContact CG2-CD2 3.55Å; I202-R235 HydrophobicContact CD1-CB 4.44Å; I202-R235 HydrophobicContact CD1-CG 4.01Å; I202-R235 HydrophobicContact CG1-CG 4.25Å; I202-A236 HydrophobicContact CD1-CB 4.07Å; I202-I247 HydrophobicContact CD1-CD1 4.21Å; I202-I247 HydrophobicContact CD1-CG2 3.86Å; I202-I247 HydrophobicContact CG1-CG2 4.1Å; I202-W248 PolarHBondContact N-O 2.64Å; I202-L249 HydrophobicContact CB-CD2 4.12Å; I202-L249 WeakPolarHBondContact O-CA 3.34Å; I202-T250 PolarHBondContact O-N 3.2Å
203	S	95.6	Very high	94.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.007	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	113.1	169.4	44.1	0	0	0	0	110.3	Y227 T250	S203-Y227 VanDerWaalsContact O-CD2 3.3Å; S203-Y227 WeakPolarHBondContact O-CD2 3.26Å; S203-Y227 WeakPolarHBondContact O-CE2 3.13Å; S203-T250 WeakPolarHBondContact CA-O 3.43Å
204	I	97.2	Very high	94.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.			trans	-81.7	-21.2	-176.2	66.6	177.3	0	0	0	112.8	I202 Y227 L232 L249 T250 T254 Y257 L265 L268	I202-I204 PolarHBondContact O-N 2.77Å; I204-Y227 WeakPolarHBondContact O-CD2 3.34Å; I204-Y227 PolarHBondContact O-N 2.9Å; I204-Y227 VanDerWaalsContact O-N 3.08Å; I204-L232 HydrophobicContact CB-CD1 4.07Å; I204-L232 HydrophobicContact CB-CD2 4.35Å; I204-L232 HydrophobicContact CG2-CD1 4.22Å; I204-L232 HydrophobicContact CG2-CD2 4.17Å; I204-L249 HydrophobicContact CG2-CB 4.24Å; I204-L249 HydrophobicContact CG2-CD1 4.43Å; I204-L249 HydrophobicContact CG2-CD2 3.84Å; I204-L249 HydrophobicContact CG2-CG 4.38Å; I204-T250 PolarHBondContact N-O 3.48Å; I204-T254 HydrophobicContact CD1-CG2 4.01Å; I204-Y257 HydrophobicContact CB-CD2 3.88Å; I204-Y257 HydrophobicContact CB-CE2 4.19Å; I204-Y257 HydrophobicContact CD1-CD2 4Å; I204-Y257 HydrophobicContact CD1-CG 3.97Å; I204-Y257 HydrophobicContact CG1-CD2 3.9Å; I204-Y257 HydrophobicContact CG1-CG 4.37Å; I204-Y257 WeakPolarHBondContact O-CD2 3.43Å; I204-Y257 VanDerWaalsContact O-CE2 3.28Å; I204-Y257 WeakPolarHBondContact O-CE2 3.36Å; I204-L265 HydrophobicContact CD1-CD1 4.06Å; I204-L268 HydrophobicContact CB-CD2 4.14Å; I204-L268 HydrophobicContact CD1-CD2 4.29Å; I204-L268 HydrophobicContact CG2-CD2 3.93Å
205	N	95.6	Very high	94.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	166.7	173.4	67.8	-87.6	0	0	0	110	H69 G207 L224 A225 S251 Y257	H69-N205 PolarHBondContact CE1-O 2.93Å; H69-N205 VanDerWaalsContact CE1-O 3.31Å; N205-G207 PolarHBondContact ND2-O 3.09Å; N205-G207 VanDerWaalsContact ND2-O 3.09Å; N205-L224 HydrophobicContact CB-CD1 3.84Å; N205-L224 WeakPolarHBondContact ND2-CD1 3.42Å; N205-A225 VanDerWaalsContact CA-O 3.31Å; N205-A225 WeakPolarHBondContact CA-O 3.44Å; N205-A225 VanDerWaalsContact CB-O 3.28Å; N205-A225 WeakPolarHBondContact CB-O 3.5Å; N205-S251 PolarHBondContact ND2-OG 3.4Å; N205-S251 VanDerWaalsContact OD1-CB 3.25Å; N205-S251 WeakPolarHBondContact OD1-CB 3.43Å; N205-S251 PolarHBondContact OD1-OG 3.3Å; N205-Y257 HydrophobicContact CB-CD2 4.45Å
206	T	93.1	Very high	94.4	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.012	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.2	162.6	-173.4	0	0	0	0	110.4	G184 L224 A225	G184-T206 VanDerWaalsContact C-CG2 3.42Å; G184-T206 WeakPolarHBondContact O-CB 3.34Å; G184-T206 WeakPolarHBondContact O-CG2 3.47Å; G184-T206 PolarHBondContact O-N 3.42Å; T206-L224 CarbonylContact O-C 3.56Å; T206-L224 WeakPolarHBondContact O-CA 3.33Å; T206-A225 HydrophobicContact CG2-CB 4.05Å; T206-A225 PolarHBondContact N-O 3.24Å; T206-A225 PolarHBondContact O-N 2.73Å
207	G	92.5	Very high	94.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	80.2	177.1	176	0	0	0	0	0	113.1	N205 R221 G222 E252	N205-G207 PolarHBondContact ND2-O 3.09Å; N205-G207 VanDerWaalsContact ND2-O 3.09Å; G207-R221 WeakPolarHBondContact CA-O 3.11Å; G207-G222 CarbonylContact C-O 3.49Å; G207-G222 WeakPolarHBondContact CA-O 3.33Å; G207-E252 PolarHBondContact N-OE2 3.48Å
208	C	92.6	Very high	93.9	Very high	15 Å²	15	16.6 Å²	16.6	10%	0.101	10%	0.097	C	C	.	.			trans	-146.4	144.4	-172	-171.3	0	0	0	0	111.4	N210 K218 G222 E252	C208-N210 PolarHBondContact SG-ND2 3.33Å; C208-K218 PolarHBondContact O-NZ 2.92Å; C208-G222 PolarHBondContact N-O 3.26Å; C208-E252 HydrophobicContact CB-CB 3.86Å
209	L	93.9	Very high	93.5	Very high	70 Å²	70	20.6 Å²	20.6	37%	0.366	12%	0.115	S	C	.	.	S	Bend	trans	-74.7	-31.9	175.6	-67.6	178.1	0	0	0	112.4	K218 L224 A256 R259 Y291	L209-K218 PolarHBondContact O-NZ 2.77Å; L209-L224 HydrophobicContact CD1-CD2 3.84Å; L209-L224 HydrophobicContact CD2-CB 3.66Å; L209-L224 HydrophobicContact CD2-CD2 4.13Å; L209-L224 HydrophobicContact CG-CB 3.83Å; L209-L224 HydrophobicContact CG-CD2 3.85Å; L209-L224 HydrophobicContact CG-CG 4.46Å; L209-A256 HydrophobicContact CD1-CB 4.29Å; L209-R259 HydrophobicContact CD1-CB 4.35Å; L209-Y291 VanDerWaalsContact CB-OH 3.3Å; L209-Y291 WeakPolarHBondContact CB-OH 3.29Å; L209-Y291 HydrophobicContact CD1-CE1 4.5Å
210	N	92.6	Very high	93.2	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.037	12%	0.115	C	C	.	.			trans	-59.3	154.2	-177.2	-64.1	-61.6	0	0	0	113.7	C208 K218 D253 N288 Y291	C208-N210 PolarHBondContact SG-ND2 3.33Å; N210-K218 WeakPolarHBondContact O-CD 2.99Å; N210-K218 WeakPolarHBondContact O-CE 3.22Å; N210-K218 PolarHBondContact O-NZ 3.42Å; N210-D253 PolarHBondContact ND2-OD2 3.37Å; N210-N288 PolarHBondContact ND2-ND2 3.01Å; N210-N288 VanDerWaalsContact ND2-ND2 3.19Å; N210-Y291 PolarHBondContact OD1-OH 3.42Å
211	A	92.9	Very high	93	Very high	57 Å²	57	20.5 Å²	20.5	47%	0.471	12%	0.115	S	C	.	.			trans	-120.2	36.8	-179.9	0	0	0	0	0	113.3	T213	A211-T213 PolarHBondContact O-N 2.76Å
212	C	95.1	Very high	92.7	Very high	17 Å²	17	20.7 Å²	20.7	12%	0.115	12%	0.119	C	C	.	.			trans	-56.2	134.3	-172.9	-51.1	0	0	0	0	112.7	Y214 C215 M327	C212-Y214 HydrophobicContact CB-CD1 4.33Å; C212-Y214 HydrophobicContact CB-CE1 4.04Å; C212-Y214 PolarHBondContact O-N 2.98Å; C212-C215 HydrophobicContact CB-CB 3.91Å; C212-C215 PolarHBondContact O-N 3.47Å; C212-M327 CarbonylContact C-O 3.52Å; C212-M327 VanDerWaalsContact CA-O 3.24Å; C212-M327 WeakPolarHBondContact CA-O 3.2Å
213	T	96.2	Very high	92.4	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.037	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.5	-171.6	53	0	0	0	0	115	A211 D326 M327 K328 F360 T394 P395 A396	A211-T213 PolarHBondContact O-N 2.76Å; T213-D326 WeakPolarHBondContact CG2-O 3.48Å; T213-D326 PolarHBondContact OG1-O 3.45Å; T213-M327 PolarHBondContact N-O 3.31Å; T213-M327 VanDerWaalsContact OG1-CA 3.32Å; T213-M327 WeakPolarHBondContact OG1-CA 3.41Å; T213-M327 PolarHBondContact OG1-O 3.32Å; T213-K328 HydrophobicContact CG2-CB 4.02Å; T213-K328 HydrophobicContact CG2-CD 3.63Å; T213-K328 HydrophobicContact CG2-CG 3.56Å; T213-F360 WeakPolarHBondContact OG1-CZ 3.41Å; T213-T394 VanDerWaalsContact O-CB 3.32Å; T213-T394 WeakPolarHBondContact O-CB 3.36Å; T213-P395 HydrophobicContact CG2-CB 4.13Å; T213-P395 VanDerWaalsContact O-CD 3.24Å; T213-P395 WeakPolarHBondContact O-CD 3.14Å; T213-A396 VanDerWaalsContact O-CB 3.27Å; T213-A396 WeakPolarHBondContact O-CB 3.29Å; T213-A396 PolarHBondContact O-N 3.02Å
214	Y	92.4	Very high	92.4	Very high	29 Å²	29	25.8 Å²	25.8	11%	0.114	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-11.6	-178.8	58.1	-93.9	0	0	0	114.3	C212 K216 Q317 M327 R329 I357 F360	C212-Y214 HydrophobicContact CB-CD1 4.33Å; C212-Y214 HydrophobicContact CB-CE1 4.04Å; C212-Y214 PolarHBondContact O-N 2.98Å; Y214-K216 PolarHBondContact O-N 3.37Å; Y214-Q317 VanDerWaalsContact OH-CD 3.31Å; Y214-Q317 WeakPolarHBondContact OH-CG 3.42Å; Y214-M327 HydrophobicContact CD1-CB 4.36Å; Y214-M327 HydrophobicContact CD1-CG 4.05Å; Y214-M327 HydrophobicContact CE1-CB 3.87Å; Y214-M327 HydrophobicContact CE1-CG 3.67Å; Y214-M327 HydrophobicContact CE1-SD 3.74Å; Y214-R329 PolarHBondContact OH-NE 3.44Å; Y214-R329 PolarHBondContact OH-NH2 3.21Å; Y214-I357 HydrophobicContact CD2-CD1 4.07Å; Y214-I357 HydrophobicContact CE1-CD1 4.2Å; Y214-I357 HydrophobicContact CE2-CD1 3.57Å; Y214-F360 HydrophobicContact CD1-CD2 4.45Å; Y214-F360 AromaticContact CD1-CE2 3.83Å; Y214-F360 HydrophobicContact CD1-CE2 3.83Å
215	C	91.1	Very high	92.3	Very high	36 Å²	36	25.8 Å²	25.8	24%	0.243	15%	0.147	C	C	.	.			trans	-79.7	115.1	-166.6	-177.5	0	0	0	0	112.1	C212 T217	C212-C215 HydrophobicContact CB-CB 3.91Å; C212-C215 PolarHBondContact O-N 3.47Å; C215-T217 PolarHBondContact SG-N 2.79Å; C215-T217 VanDerWaalsContact SG-N 3.44Å
216	K	90	Very high	92.3	Very high	11 Å²	11	26.3 Å²	26.3	5%	0.048	15%	0.15	C	C	.	.	S	Bend	trans	-82.2	-17.7	170.8	-83.2	-59.4	-165.3	-176.1	0	114	T104 Y214 K218 H219 A220 R391 P392 T394	T104-K216 HydrophobicContact CG2-CB 4.36Å; Y214-K216 PolarHBondContact O-N 3.37Å; K216-K218 VanDerWaalsContact C-N 3.29Å; K216-K218 PolarHBondContact O-N 2.94Å; K216-H219 HydrophobicContact CD-CB 4.27Å; K216-H219 PolarHBondContact NZ-ND1 2.9Å; K216-H219 WeakPolarHBondContact O-CB 3.43Å; K216-H219 PolarHBondContact O-N 2.69Å; K216-A220 PolarHBondContact O-N 3.44Å; K216-A220 VanDerWaalsContact O-N 3.17Å; K216-R391 HydrophobicContact CG-CB 3.88Å; K216-R391 VanDerWaalsContact CG-CD 3.46Å; K216-R391 HydrophobicContact CG-CG 4.31Å; K216-P392 WeakPolarHBondContact CE-O 3.42Å; K216-P392 PolarHBondContact NZ-O 2.95Å; K216-T394 HydrophobicContact CD-CG2 3.79Å; K216-T394 HydrophobicContact CG-CG2 3.96Å
217	T	88.6	Confident	92.5	Very high	22 Å²	22	26.8 Å²	26.8	14%	0.135	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-39.1	-179.6	-46.5	0	0	0	0	111.4	C215 H219 A220 R221 E252	C215-T217 PolarHBondContact SG-N 2.79Å; C215-T217 VanDerWaalsContact SG-N 3.44Å; T217-H219 VanDerWaalsContact C-N 3.29Å; T217-H219 PolarHBondContact O-N 3.03Å; T217-A220 PolarHBondContact O-N 2.89Å; T217-A220 VanDerWaalsContact O-N 3.12Å; T217-R221 PolarHBondContact O-N 2.98Å; T217-E252 HydrophobicContact CG2-CG 3.49Å; T217-E252 VanDerWaalsContact CG2-CG 3.49Å
218	K	88.3	Confident	92.6	Very high	49 Å²	49	29.6 Å²	29.6	21%	0.213	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-32.5	173.7	-176.2	155.3	-177.6	149.4	0	113.2	C208 L209 N210 K216 A220 G222 D223	C208-K218 PolarHBondContact O-NZ 2.92Å; L209-K218 PolarHBondContact O-NZ 2.77Å; N210-K218 WeakPolarHBondContact O-CD 2.99Å; N210-K218 WeakPolarHBondContact O-CE 3.22Å; N210-K218 PolarHBondContact O-NZ 3.42Å; K216-K218 VanDerWaalsContact C-N 3.29Å; K216-K218 PolarHBondContact O-N 2.94Å; K218-A220 VanDerWaalsContact C-N 3.32Å; K218-A220 PolarHBondContact O-N 2.8Å; K218-G222 WeakPolarHBondContact O-CA 3.39Å; K218-G222 PolarHBondContact O-N 2.95Å; K218-D223 WeakPolarHBondContact CE-OD1 3.32Å; K218-D223 IonicContact NZ-OD1 3.78Å; K218-D223 PolarHBondContact NZ-OD1 2.58Å
219	H	87.9	Confident	92.9	Very high	92 Å²	92	29.9 Å²	29.9	43%	0.426	17%	0.17	S	C	.	.	H	α-helix	trans	-70	-32.1	175.6	-67.3	-146.7	0	0	0	111.8	A136 K216 T217 G393	A136-H219 HydrophobicContact CB-CB 4.24Å; K216-H219 HydrophobicContact CD-CB 4.27Å; K216-H219 PolarHBondContact NZ-ND1 2.9Å; K216-H219 WeakPolarHBondContact O-CB 3.43Å; K216-H219 PolarHBondContact O-N 2.69Å; T217-H219 VanDerWaalsContact C-N 3.29Å; T217-H219 PolarHBondContact O-N 3.03Å; H219-G393 PolarHBondContact CE1-O 3.04Å
220	A	89.9	Confident	93	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-79.7	-52	177	0	0	0	0	0	112	C132 Q135 A136 V151 K216 T217 K218	C132-A220 HydrophobicContact CB-CB 3.68Å; Q135-A220 HydrophobicContact CB-CB 4.31Å; Q135-A220 HydrophobicContact CG-CB 4.26Å; Q135-A220 WeakPolarHBondContact CG-O 3.09Å; A136-A220 HydrophobicContact CB-CB 4.11Å; V151-A220 WeakPolarHBondContact CG2-O 3.45Å; K216-A220 PolarHBondContact O-N 3.44Å; K216-A220 VanDerWaalsContact O-N 3.17Å; T217-A220 PolarHBondContact O-N 2.89Å; T217-A220 VanDerWaalsContact O-N 3.12Å; K218-A220 VanDerWaalsContact C-N 3.32Å; K218-A220 PolarHBondContact O-N 2.8Å
221	R	92	Very high	93.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-101.7	-2.7	-168.9	-70.2	-174.1	-176.1	-82.3	-2.4	114.2	H69 D73 V151 R182 G207 T217 E252	H69-R221 PolarHBondContact CD2-NH1 2.79Å; H69-R221 PolarHBondContact CE1-NH1 3.01Å; H69-R221 VanDerWaalsContact CE1-NH1 3.32Å; H69-R221 PolarHBondContact NE2-NH1 3.44Å; D73-R221 IonicContact OD2-CZ 3.82Å; D73-R221 IonicContact OD2-NH1 2.67Å; D73-R221 PolarHBondContact OD2-NH1 2.63Å; D73-R221 IonicContact OD2-NH2 2.69Å; D73-R221 PolarHBondContact OD2-NH2 2.88Å; V151-R221 HydrophobicContact CB-CG 4.42Å; V151-R221 HydrophobicContact CG2-CG 4Å; R182-R221 PolarHBondContact NH1-O 2.76Å; R182-R221 VanDerWaalsContact NH2-C 3.33Å; R182-R221 PolarHBondContact NH2-O 3.24Å; G207-R221 WeakPolarHBondContact CA-O 3.11Å; T217-R221 PolarHBondContact O-N 2.98Å; R221-E252 WeakPolarHBondContact CD-OE1 3.34Å; R221-E252 WeakPolarHBondContact CD-OE2 3.15Å; R221-E252 IonicContact NE-OE1 2.7Å; R221-E252 PolarHBondContact NE-OE1 2.99Å
222	G	91.4	Very high	93.4	Very high	13 Å²	13	32.8 Å²	32.8	13%	0.134	17%	0.172	C	C	.	.			trans	62.1	-156.4	175.1	0	0	0	0	0	114.9	G207 C208 K218	G207-G222 CarbonylContact C-O 3.49Å; G207-G222 WeakPolarHBondContact CA-O 3.33Å; C208-G222 PolarHBondContact N-O 3.26Å; K218-G222 WeakPolarHBondContact O-CA 3.39Å; K218-G222 PolarHBondContact O-N 2.95Å
223	D	92.6	Very high	93.6	Very high	95 Å²	95	32 Å²	32	51%	0.508	17%	0.167	S	C	.	.	S	Bend	trans	-75.5	161.8	177.6	-57.8	-53.6	0	0	0	113.6	R182 K218 A225	R182-D223 PolarHBondContact NH1-O 3.49Å; K218-D223 WeakPolarHBondContact CE-OD1 3.32Å; K218-D223 IonicContact NZ-OD1 3.78Å; K218-D223 PolarHBondContact NZ-OD1 2.58Å; D223-A225 PolarHBondContact O-N 2.7Å
224	L	94.6	Very high	93.6	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.079	19%	0.187	C	C	.	.			trans	-52.1	129.5	-178.8	-178.9	66.9	0	0	0	112.1	N205 T206 L209 A256 R259 D260	N205-L224 HydrophobicContact CB-CD1 3.84Å; N205-L224 WeakPolarHBondContact ND2-CD1 3.42Å; T206-L224 CarbonylContact O-C 3.56Å; T206-L224 WeakPolarHBondContact O-CA 3.33Å; L209-L224 HydrophobicContact CD1-CD2 3.84Å; L209-L224 HydrophobicContact CD2-CB 3.66Å; L209-L224 HydrophobicContact CD2-CD2 4.13Å; L209-L224 HydrophobicContact CG-CB 3.83Å; L209-L224 HydrophobicContact CG-CD2 3.85Å; L209-L224 HydrophobicContact CG-CG 4.46Å; L224-A256 HydrophobicContact CD2-CB 4.39Å; L224-A256 WeakPolarHBondContact CD2-O 3.26Å; L224-R259 HydrophobicContact CD2-CB 4.16Å; L224-D260 HydrophobicContact CD2-CB 4.15Å; L224-D260 WeakPolarHBondContact CD2-OD1 3.49Å; L224-D260 HydrophobicContact CG-CB 4.34Å
225	A	94.9	Very high	93.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	111.4	165.5	0	0	0	0	0	108.3	R182 L183 G184 N205 T206 D223 D260	R182-A225 HydrophobicContact CB-CB 4Å; R182-A225 HydrophobicContact CG-CB 3.93Å; L183-A225 WeakPolarHBondContact O-CB 3.4Å; G184-A225 VanDerWaalsContact CA-O 3.32Å; G184-A225 WeakPolarHBondContact CA-O 3.27Å; N205-A225 VanDerWaalsContact CA-O 3.31Å; N205-A225 WeakPolarHBondContact CA-O 3.44Å; N205-A225 VanDerWaalsContact CB-O 3.28Å; N205-A225 WeakPolarHBondContact CB-O 3.5Å; T206-A225 HydrophobicContact CG2-CB 4.05Å; T206-A225 PolarHBondContact N-O 3.24Å; T206-A225 PolarHBondContact O-N 2.73Å; D223-A225 PolarHBondContact O-N 2.7Å; A225-D260 VanDerWaalsContact CA-OD2 3.29Å; A225-D260 WeakPolarHBondContact CA-OD2 3.38Å
226	S	96.4	Very high	94.1	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148	-175.2	-59.1	0	0	0	0	112.4	G258 D260	S226-G258 PolarHBondContact OG-N 3.12Å; S226-G258 VanDerWaalsContact OG-N 3.14Å; S226-D260 WeakPolarHBondContact CB-OD1 3.26Å; S226-D260 PolarHBondContact N-OD2 3.5Å; S226-D260 PolarHBondContact OG-OD1 3.28Å
227	Y	96.3	Very high	94.4	Very high	13 Å²	13	36.6 Å²	36.6	5%	0.051	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-78.7	145.7	167	-68.5	-86.8	0	0	0	110.5	G184 G185 A186 L188 S203 I204 Y257	G184-Y227 VanDerWaalsContact C-OH 3.28Å; G184-Y227 WeakPolarHBondContact O-CE2 3.48Å; G184-Y227 PolarHBondContact O-OH 3.03Å; G185-Y227 VanDerWaalsContact CA-OH 3.3Å; G185-Y227 WeakPolarHBondContact CA-OH 3.32Å; G185-Y227 PolarHBondContact N-OH 3.35Å; A186-Y227 PolarHBondContact N-OH 3.16Å; A186-Y227 VanDerWaalsContact O-CE1 3.29Å; A186-Y227 WeakPolarHBondContact O-CE1 3.48Å; A186-Y227 PolarHBondContact O-OH 3.2Å; L188-Y227 HydrophobicContact CD1-CD1 3.76Å; L188-Y227 HydrophobicContact CD1-CD2 4.32Å; L188-Y227 HydrophobicContact CD1-CE1 4.24Å; L188-Y227 HydrophobicContact CD1-CG 3.8Å; L188-Y227 HydrophobicContact CD2-CD1 4.3Å; L188-Y227 HydrophobicContact CD2-CD2 4.37Å; L188-Y227 HydrophobicContact CD2-CE1 3.96Å; L188-Y227 HydrophobicContact CD2-CE2 4.07Å; L188-Y227 HydrophobicContact CD2-CG 4.48Å; L188-Y227 HydrophobicContact CG-CD1 3.75Å; L188-Y227 HydrophobicContact CG-CE1 3.71Å; L188-Y227 HydrophobicContact CG-CG 4.18Å; S203-Y227 VanDerWaalsContact O-CD2 3.3Å; S203-Y227 WeakPolarHBondContact O-CD2 3.26Å; S203-Y227 WeakPolarHBondContact O-CE2 3.13Å; I204-Y227 WeakPolarHBondContact O-CD2 3.34Å; I204-Y227 PolarHBondContact O-N 2.9Å; I204-Y227 VanDerWaalsContact O-N 3.08Å; Y227-Y257 WeakPolarHBondContact O-CE2 3.48Å; Y227-Y257 PolarHBondContact O-OH 2.91Å
228	P	96	Very high	94.7	Very high	59 Å²	59	37.3 Å²	37.3	38%	0.383	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-57.7	146	169.7	-23.1	34.5	0	0	0	111.9	E230 E231 L232	P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 PolarHBondContact O-N 2.98Å; P228-E231 HydrophobicContact CB-CG 4.43Å; P228-E231 WeakPolarHBondContact CD-OE1 3.48Å; P228-E231 HydrophobicContact CG-CG 4.47Å; P228-E231 WeakPolarHBondContact CG-OE1 3.49Å; P228-E231 PolarHBondContact O-N 2.83Å; P228-L232 PolarHBondContact O-N 3.38Å
229	I	97.6	Very high	95	Very high	21 Å²	21	35 Å²	35	11%	0.108	17%	0.174	C	C	.	.	H	α-helix	trans	-56	-43.1	-179.4	-69.4	179.8	0	0	0	111.6	E231 L232 V233 Y257 T263 T267 L268 R271	I229-E231 VanDerWaalsContact C-N 3.3Å; I229-E231 PolarHBondContact O-N 2.97Å; I229-L232 WeakPolarHBondContact O-CB 3.44Å; I229-L232 PolarHBondContact O-N 3.37Å; I229-L232 VanDerWaalsContact O-N 3.12Å; I229-V233 HydrophobicContact CG2-CG2 3.89Å; I229-V233 WeakPolarHBondContact O-CB 3.36Å; I229-V233 VanDerWaalsContact O-CG2 3.31Å; I229-V233 WeakPolarHBondContact O-CG2 3.49Å; I229-V233 PolarHBondContact O-N 3.48Å; I229-Y257 HydrophobicContact CG1-CE1 4.33Å; I229-Y257 VanDerWaalsContact CG1-OH 3.27Å; I229-Y257 WeakPolarHBondContact CG1-OH 3.37Å; I229-T263 HydrophobicContact CD1-CG2 4.07Å; I229-T263 WeakPolarHBondContact CD1-OG1 3.31Å; I229-T263 HydrophobicContact CG1-CG2 4.35Å; I229-T267 HydrophobicContact CD1-CG2 3.78Å; I229-L268 HydrophobicContact CB-CD1 4.49Å; I229-L268 HydrophobicContact CD1-CB 4.42Å; I229-L268 HydrophobicContact CG1-CB 4.33Å; I229-L268 HydrophobicContact CG1-CD1 4.23Å; I229-L268 HydrophobicContact CG2-CD1 4.2Å; I229-R271 HydrophobicContact CG2-CB 4.01Å; I229-R271 HydrophobicContact CG2-CG 4.03Å
230	E	97	Very high	95.4	Very high	107 Å²	107	30.8 Å²	30.8	50%	0.5	15%	0.154	S	C	.	.	H	α-helix	trans	-62.7	-36.1	-176.7	-57.8	-50.8	140.4	0	0	112.8	P228 L232 V233 E234 R271	P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 PolarHBondContact O-N 2.98Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-V233 PolarHBondContact O-N 2.78Å; E230-E234 WeakPolarHBondContact O-CB 3.43Å; E230-E234 PolarHBondContact O-N 2.83Å; E230-R271 IonicContact OE1-CZ 3.51Å; E230-R271 VanDerWaalsContact OE1-CZ 3.23Å; E230-R271 IonicContact OE1-NH1 2.79Å; E230-R271 PolarHBondContact OE1-NH1 3.4Å; E230-R271 IonicContact OE1-NH2 3.84Å; E230-R271 PolarHBondContact OE1-NH2 2.57Å; E230-R271 IonicContact OE2-CZ 3.77Å; E230-R271 IonicContact OE2-NH2 3.31Å; E230-R271 PolarHBondContact OE2-NH2 2.75Å
231	E	96.3	Very high	95.6	Very high	87 Å²	87	36.3 Å²	36.3	41%	0.407	18%	0.179	S	C	.	.	H	α-helix	trans	-67	-37.8	176	-65.6	-177.6	-146.4	0	0	111.6	L188 P228 I229 R235	L188-E231 HydrophobicContact CD1-CB 4.06Å; P228-E231 HydrophobicContact CB-CG 4.43Å; P228-E231 WeakPolarHBondContact CD-OE1 3.48Å; P228-E231 HydrophobicContact CG-CG 4.47Å; P228-E231 WeakPolarHBondContact CG-OE1 3.49Å; P228-E231 PolarHBondContact O-N 2.83Å; I229-E231 VanDerWaalsContact C-N 3.3Å; I229-E231 PolarHBondContact O-N 2.97Å; E231-R235 WeakPolarHBondContact O-CB 3.28Å; E231-R235 PolarHBondContact O-N 2.9Å
232	L	97.6	Very high	95.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-41.7	177.8	-65	169.2	0	0	0	111.8	L188 I202 I204 P228 I229 E230 R235 A236 Y257 L268	L188-L232 HydrophobicContact CD1-CD2 3.48Å; L188-L232 VanDerWaalsContact CD1-CD2 3.48Å; L188-L232 HydrophobicContact CD1-CG 4.12Å; I202-L232 HydrophobicContact CG2-CD2 3.55Å; I204-L232 HydrophobicContact CB-CD1 4.07Å; I204-L232 HydrophobicContact CB-CD2 4.35Å; I204-L232 HydrophobicContact CG2-CD1 4.22Å; I204-L232 HydrophobicContact CG2-CD2 4.17Å; P228-L232 PolarHBondContact O-N 3.38Å; I229-L232 WeakPolarHBondContact O-CB 3.44Å; I229-L232 PolarHBondContact O-N 3.37Å; I229-L232 VanDerWaalsContact O-N 3.12Å; E230-L232 VanDerWaalsContact C-N 3.34Å; L232-R235 PolarHBondContact O-N 3.02Å; L232-A236 WeakPolarHBondContact O-CB 3.44Å; L232-A236 PolarHBondContact O-N 2.93Å; L232-Y257 HydrophobicContact CD1-CE2 3.7Å; L232-L268 HydrophobicContact CB-CD1 3.92Å; L232-L268 HydrophobicContact CD1-CD1 3.66Å; L232-L268 HydrophobicContact CD1-CD2 3.71Å; L232-L268 HydrophobicContact CD1-CG 4.35Å; L232-L268 HydrophobicContact CG-CD1 4.45Å
233	V	98.1	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-45.4	175.8	168.8	0	0	0	0	110.5	I229 E230 R235 A236 R237 R271 L272 E275	I229-V233 HydrophobicContact CG2-CG2 3.89Å; I229-V233 WeakPolarHBondContact O-CB 3.36Å; I229-V233 VanDerWaalsContact O-CG2 3.31Å; I229-V233 WeakPolarHBondContact O-CG2 3.49Å; I229-V233 PolarHBondContact O-N 3.48Å; E230-V233 PolarHBondContact O-N 2.78Å; V233-R235 PolarHBondContact O-N 2.78Å; V233-A236 PolarHBondContact O-N 3.42Å; V233-R237 WeakPolarHBondContact O-CB 3.41Å; V233-R237 PolarHBondContact O-N 3.07Å; V233-R271 HydrophobicContact CG2-CB 3.91Å; V233-L272 HydrophobicContact CG2-CD2 4.27Å; V233-E275 HydrophobicContact CG1-CG 3.78Å
234	E	97.1	Very high	96	Very high	97 Å²	97	32.3 Å²	32.3	45%	0.453	15%	0.154	S	C	.	.	H	α-helix	trans	-63.5	-43	177.7	-173.2	57	-149.9	0	0	111.6	E230 A236 R237 Q238	E230-E234 WeakPolarHBondContact O-CB 3.43Å; E230-E234 PolarHBondContact O-N 2.83Å; E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.25Å; E234-R237 PolarHBondContact O-N 3.46Å; E234-R237 IonicContact OE2-CZ 3.03Å; E234-R237 IonicContact OE2-NH1 3.13Å; E234-R237 PolarHBondContact OE2-NH1 2.95Å; E234-Q238 WeakPolarHBondContact O-CB 3.1Å; E234-Q238 PolarHBondContact O-N 3.26Å
235	R	96.3	Very high	96.1	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-40.3	175.9	-179.8	56.8	-175.9	172.2	5.2	112.3	L188 E200 I202 E231 L232 V233 S239 S506	L188-R235 HydrophobicContact CB-CB 4.36Å; L188-R235 WeakPolarHBondContact O-CD 3.23Å; E200-R235 IonicContact OE1-CZ 2.71Å; E200-R235 IonicContact OE1-NE 2.68Å; E200-R235 PolarHBondContact OE1-NE 3.41Å; E200-R235 IonicContact OE1-NH2 3.02Å; E200-R235 PolarHBondContact OE1-NH2 3.43Å; E200-R235 IonicContact OE2-CZ 3.15Å; E200-R235 IonicContact OE2-NH2 3.33Å; E200-R235 PolarHBondContact OE2-NH2 3.2Å; I202-R235 HydrophobicContact CD1-CB 4.44Å; I202-R235 HydrophobicContact CD1-CG 4.01Å; I202-R235 HydrophobicContact CG1-CG 4.25Å; E231-R235 WeakPolarHBondContact O-CB 3.28Å; E231-R235 PolarHBondContact O-N 2.9Å; L232-R235 PolarHBondContact O-N 3.02Å; V233-R235 PolarHBondContact O-N 2.78Å; R235-S239 WeakPolarHBondContact O-CB 3.29Å; R235-S239 PolarHBondContact O-N 3.44Å; R235-S239 PolarHBondContact O-OG 2.86Å; R235-S506 PolarHBondContact NH1-OG 3.4Å; R235-S506 PolarHBondContact NH2-OG 2.95Å
236	A	97.1	Very high	96.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-48.4	175.8	0	0	0	0	0	111.3	I202 L232 V233 E234 Q238 S239 F240 I247 L272	I202-A236 HydrophobicContact CD1-CB 4.07Å; L232-A236 WeakPolarHBondContact O-CB 3.44Å; L232-A236 PolarHBondContact O-N 2.93Å; V233-A236 PolarHBondContact O-N 3.42Å; E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.25Å; A236-Q238 PolarHBondContact O-N 3.4Å; A236-S239 WeakPolarHBondContact O-CB 3.49Å; A236-S239 PolarHBondContact O-N 3.01Å; A236-S239 VanDerWaalsContact O-N 3.13Å; A236-F240 WeakPolarHBondContact O-CD2 3.38Å; A236-F240 PolarHBondContact O-N 2.78Å; A236-F240 VanDerWaalsContact O-N 3.07Å; A236-I247 HydrophobicContact CB-CD1 3.54Å; A236-L272 HydrophobicContact CB-CD2 3.68Å
237	R	96.3	Very high	96.3	Very high	76 Å²	76	31.2 Å²	31.2	29%	0.287	15%	0.148	S	C	.	.	H	α-helix	trans	-57.3	-49.8	177.4	-177.2	-177.1	-62	131	0.1	112	V233 E234 S239 F240 Q241 E275	V233-R237 WeakPolarHBondContact O-CB 3.41Å; V233-R237 PolarHBondContact O-N 3.07Å; E234-R237 PolarHBondContact O-N 3.46Å; E234-R237 IonicContact OE2-CZ 3.03Å; E234-R237 IonicContact OE2-NH1 3.13Å; E234-R237 PolarHBondContact OE2-NH1 2.95Å; R237-S239 VanDerWaalsContact C-N 3.27Å; R237-S239 PolarHBondContact O-N 3.01Å; R237-F240 PolarHBondContact O-N 2.95Å; R237-Q241 WeakPolarHBondContact O-CG 3.46Å; R237-Q241 PolarHBondContact O-N 2.81Å; R237-Q241 VanDerWaalsContact O-N 3.1Å; R237-E275 IonicContact CZ-OE1 3.94Å; R237-E275 IonicContact CZ-OE2 3.34Å; R237-E275 IonicContact NE-OE1 2.9Å; R237-E275 IonicContact NE-OE2 2.91Å; R237-E275 PolarHBondContact NE-OE2 2.95Å; R237-E275 IonicContact NH2-OE1 2.78Å; R237-E275 PolarHBondContact NH2-OE1 2.94Å; R237-E275 IonicContact NH2-OE2 3.99Å; R237-E275 PolarHBondContact NH2-OE2 3.17Å; R237-E275 VanDerWaalsContact NH2-OE2 3.07Å
238	Q	95.1	Very high	96.4	Very high	38 Å²	38	32.5 Å²	32.5	18%	0.178	15%	0.153	C	C	.	.	H	α-helix	trans	-56.2	-43.6	175.5	179.4	-179.9	42.9	0	0	111.3	E234 A236 F240 Q241 E242	E234-Q238 WeakPolarHBondContact O-CB 3.1Å; E234-Q238 PolarHBondContact O-N 3.26Å; A236-Q238 PolarHBondContact O-N 3.4Å; Q238-F240 PolarHBondContact O-N 2.91Å; Q238-Q241 WeakPolarHBondContact O-CB 3.42Å; Q238-Q241 PolarHBondContact O-N 3.23Å; Q238-Q241 VanDerWaalsContact O-N 3.17Å; Q238-E242 WeakPolarHBondContact O-CG 3.17Å; Q238-E242 PolarHBondContact O-N 2.89Å
239	S	95.5	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-41.3	-178	-59.7	0	0	0	0	112.2	R194 E200 R235 A236 R237 Q241 E242 G243 V244	R194-S239 PolarHBondContact NH2-OG 2.86Å; E200-S239 VanDerWaalsContact CG-OG 3.29Å; E200-S239 WeakPolarHBondContact CG-OG 3.48Å; R235-S239 WeakPolarHBondContact O-CB 3.29Å; R235-S239 PolarHBondContact O-N 3.44Å; R235-S239 PolarHBondContact O-OG 2.86Å; A236-S239 WeakPolarHBondContact O-CB 3.49Å; A236-S239 PolarHBondContact O-N 3.01Å; A236-S239 VanDerWaalsContact O-N 3.13Å; R237-S239 VanDerWaalsContact C-N 3.27Å; R237-S239 PolarHBondContact O-N 3.01Å; S239-Q241 VanDerWaalsContact C-N 3.32Å; S239-Q241 PolarHBondContact O-N 2.98Å; S239-E242 CarbonylContact O-C 3.41Å; S239-E242 PolarHBondContact O-N 2.99Å; S239-E242 VanDerWaalsContact O-N 3.14Å; S239-G243 PolarHBondContact O-N 3.32Å; S239-V244 VanDerWaalsContact O-CB 3.22Å; S239-V244 WeakPolarHBondContact O-CB 3.46Å; S239-V244 WeakPolarHBondContact O-CG2 3.42Å; S239-V244 PolarHBondContact O-N 2.82Å; S239-V244 VanDerWaalsContact O-N 3.17Å
240	F	95.3	Very high	96.4	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-34.1	174.2	-67.7	-56.8	0	0	0	112.9	A236 R237 Q238 E242 G243 V244 I247 E275 I276 P277 A280	A236-F240 WeakPolarHBondContact O-CD2 3.38Å; A236-F240 PolarHBondContact O-N 2.78Å; A236-F240 VanDerWaalsContact O-N 3.07Å; R237-F240 PolarHBondContact O-N 2.95Å; Q238-F240 PolarHBondContact O-N 2.91Å; F240-E242 PolarHBondContact O-N 3.31Å; F240-G243 PolarHBondContact O-N 3.27Å; F240-V244 VanDerWaalsContact CD1-O 3.3Å; F240-V244 WeakPolarHBondContact CD1-O 3.47Å; F240-I247 HydrophobicContact CD2-CD1 4.2Å; F240-I247 HydrophobicContact CE1-CD1 4.11Å; F240-I247 HydrophobicContact CE1-CG1 4.1Å; F240-I247 HydrophobicContact CE2-CD1 3.35Å; F240-I247 HydrophobicContact CE2-CG1 4.23Å; F240-I247 HydrophobicContact CZ-CD1 3.28Å; F240-I247 HydrophobicContact CZ-CG1 3.65Å; F240-E275 WeakPolarHBondContact CD2-O 3.43Å; F240-I276 HydrophobicContact CE1-CG2 4.32Å; F240-I276 HydrophobicContact CE2-CB 4.21Å; F240-I276 HydrophobicContact CE2-CG1 3.88Å; F240-I276 HydrophobicContact CE2-CG2 4.47Å; F240-I276 HydrophobicContact CZ-CB 4.04Å; F240-I276 HydrophobicContact CZ-CG1 3.8Å; F240-I276 HydrophobicContact CZ-CG2 3.82Å; F240-P277 HydrophobicContact CB-CG 4.1Å; F240-P277 VanDerWaalsContact CD1-CD 3.44Å; F240-P277 HydrophobicContact CD1-CG 3.91Å; F240-P277 HydrophobicContact CG-CG 3.94Å; F240-A280 HydrophobicContact CD1-CB 4.48Å; F240-A280 HydrophobicContact CE1-CB 3.89Å
241	Q	93.9	Very high	96.3	Very high	120 Å²	120	24.5 Å²	24.5	56%	0.561	11%	0.111	S	C	*	.	H	α-helix	trans	-68.9	-22.5	173.1	-68.9	173.2	-3.5	0	0	113.1	R237 Q238 S239 G243 A497	R237-Q241 WeakPolarHBondContact O-CG 3.46Å; R237-Q241 PolarHBondContact O-N 2.81Å; R237-Q241 VanDerWaalsContact O-N 3.1Å; Q238-Q241 WeakPolarHBondContact O-CB 3.42Å; Q238-Q241 PolarHBondContact O-N 3.23Å; Q238-Q241 VanDerWaalsContact O-N 3.17Å; S239-Q241 VanDerWaalsContact C-N 3.32Å; S239-Q241 PolarHBondContact O-N 2.98Å; Q241-G243 VanDerWaalsContact C-N 3.3Å; Q241-A497 WeakPolarHBondContact O-CB 3.24Å
242	E	94.1	Very high	96.2	Very high	26 Å²	26	21.4 Å²	21.4	12%	0.121	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7.4	174.7	-68.8	173.8	172.1	0	0	113.2	R194 Q238 S239 F240 P499 L500 S506 G507	R194-E242 IonicContact CZ-OE2 3.78Å; R194-E242 IonicContact NH1-OE2 2.69Å; R194-E242 PolarHBondContact NH1-OE2 3.06Å; R194-E242 IonicContact NH2-OE2 3.94Å; R194-E242 PolarHBondContact NH2-OE2 3.43Å; Q238-E242 WeakPolarHBondContact O-CG 3.17Å; Q238-E242 PolarHBondContact O-N 2.89Å; S239-E242 CarbonylContact O-C 3.41Å; S239-E242 PolarHBondContact O-N 2.99Å; S239-E242 VanDerWaalsContact O-N 3.14Å; F240-E242 PolarHBondContact O-N 3.31Å; E242-P499 WeakPolarHBondContact O-CA 3.36Å; E242-L500 HydrophobicContact CB-CD1 4.19Å; E242-L500 HydrophobicContact CB-CG 4.26Å; E242-L500 HydrophobicContact CG-CD1 4.32Å; E242-L500 PolarHBondContact O-N 3.43Å; E242-S506 VanDerWaalsContact CD-OG 3.26Å; E242-S506 PolarHBondContact OE1-OG 3.48Å; E242-S506 VanDerWaalsContact OE1-OG 3.12Å; E242-S506 WeakPolarHBondContact OE2-CB 3.37Å; E242-S506 PolarHBondContact OE2-OG 3.43Å; E242-G507 PolarHBondContact OE1-N 3.43Å
243	G	93.6	Very high	96.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	8.8	170.6	0	0	0	0	0	116	S239 F240 Q241 S495 A497 P499	S239-G243 PolarHBondContact O-N 3.32Å; F240-G243 PolarHBondContact O-N 3.27Å; Q241-G243 VanDerWaalsContact C-N 3.3Å; G243-S495 VanDerWaalsContact C-OG 3.29Å; G243-S495 WeakPolarHBondContact CA-OG 3.28Å; G243-S495 PolarHBondContact O-OG 3.35Å; G243-A497 WeakPolarHBondContact CA-O 3.32Å; G243-P499 WeakPolarHBondContact O-CG 3.27Å
244	V	96.1	Very high	96	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.			trans	-65.9	140.2	176.4	170.7	0	0	0	0	109.9	L198 E200 S239 F240 E246	L198-V244 WeakPolarHBondContact O-CG1 3.36Å; E200-V244 HydrophobicContact CB-CG1 3.94Å; E200-V244 HydrophobicContact CB-CG2 4.25Å; S239-V244 VanDerWaalsContact O-CB 3.22Å; S239-V244 WeakPolarHBondContact O-CB 3.46Å; S239-V244 WeakPolarHBondContact O-CG2 3.42Å; S239-V244 PolarHBondContact O-N 2.82Å; S239-V244 VanDerWaalsContact O-N 3.17Å; F240-V244 VanDerWaalsContact CD1-O 3.3Å; F240-V244 WeakPolarHBondContact CD1-O 3.47Å; V244-E246 WeakPolarHBondContact CG1-O 3.39Å
245	C	96.6	Very high	95.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	8%	0.076	C	C	.	.			trans	-112.8	-6.5	175.2	63.4	0	0	0	0	113.4	L198 A280 M281 L435 P494	L198-C245 PolarHBondContact O-N 3.41Å; C245-A280 WeakPolarHBondContact O-CA 3.32Å; C245-A280 VanDerWaalsContact O-CB 3.29Å; C245-A280 WeakPolarHBondContact O-CB 3.23Å; C245-M281 PolarHBondContact O-N 2.83Å; C245-L435 HydrophobicContact CB-CD1 4.36Å; C245-P494 HydrophobicContact CB-CB 4.07Å; C245-P494 HydrophobicContact CB-CG 4.24Å
246	E	97.8	Very high	95.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132.1	-178.7	-171	178	-179.8	0	0	111.8	L198 I199 E200 V244 W248 M281 Y309 L435 T437 Y453	L198-E246 PolarHBondContact O-N 2.89Å; L198-E246 VanDerWaalsContact O-N 3.15Å; I199-E246 VanDerWaalsContact CA-O 3.32Å; I199-E246 WeakPolarHBondContact CA-O 3.48Å; I199-E246 HydrophobicContact CG1-CB 4.23Å; E200-E246 PolarHBondContact N-O 3.16Å; V244-E246 WeakPolarHBondContact CG1-O 3.39Å; E246-W248 PolarHBondContact OE1-NE1 3.19Å; E246-M281 CarbonylContact C-O 3.53Å; E246-M281 WeakPolarHBondContact CA-O 3.34Å; E246-Y309 HydrophobicContact CG-CE2 4.14Å; E246-Y309 VanDerWaalsContact OE1-CE2 3.23Å; E246-Y309 WeakPolarHBondContact OE1-CE2 3.42Å; E246-Y309 PolarHBondContact OE1-OH 3.12Å; E246-L435 HydrophobicContact CB-CD2 4.21Å; E246-T437 HydrophobicContact CB-CG2 4.45Å; E246-T437 WeakPolarHBondContact OE2-CG2 3.45Å; E246-Y453 VanDerWaalsContact OE1-CE2 3.28Å; E246-Y453 WeakPolarHBondContact OE1-CE2 3.33Å
247	I	98.2	Very high	96	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.8	173	-66.6	-176.7	0	0	0	109.7	E200 I202 A236 F240 L249 M281 L282 R283	E200-I247 HydrophobicContact CB-CG1 4.46Å; E200-I247 CarbonylContact O-C 3.57Å; E200-I247 WeakPolarHBondContact O-CA 3.13Å; I202-I247 HydrophobicContact CD1-CD1 4.21Å; I202-I247 HydrophobicContact CD1-CG2 3.86Å; I202-I247 HydrophobicContact CG1-CG2 4.1Å; A236-I247 HydrophobicContact CB-CD1 3.54Å; F240-I247 HydrophobicContact CD2-CD1 4.2Å; F240-I247 HydrophobicContact CE1-CD1 4.11Å; F240-I247 HydrophobicContact CE1-CG1 4.1Å; F240-I247 HydrophobicContact CE2-CD1 3.35Å; F240-I247 HydrophobicContact CE2-CG1 4.23Å; F240-I247 HydrophobicContact CZ-CD1 3.28Å; F240-I247 HydrophobicContact CZ-CG1 3.65Å; I247-L249 HydrophobicContact CG2-CD2 3.89Å; I247-M281 PolarHBondContact N-O 3.5Å; I247-L282 HydrophobicContact CB-CD1 3.81Å; I247-L282 HydrophobicContact CG2-CD1 3.65Å; I247-R283 PolarHBondContact O-N 3.33Å
248	W	98.4	Very high	95.9	Very high	41 Å²	41	13 Å²	13	16%	0.155	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.3	170	-68.4	3.8	0	0	0	110.1	I199 E200 I201 I202 E246 R283 Y453	I199-W248 HydrophobicContact CD1-CH2 4.3Å; I199-W248 HydrophobicContact CD1-CZ2 3.68Å; I199-W248 HydrophobicContact CG2-CD2 3.74Å; I199-W248 HydrophobicContact CG2-CE3 4.35Å; I199-W248 HydrophobicContact CG2-CG 3.86Å; I199-W248 HydrophobicContact CG2-CZ2 4.21Å; E200-W248 PolarHBondContact O-N 3.04Å; I201-W248 CarbonylContact C-O 3.48Å; I201-W248 WeakPolarHBondContact CA-O 3.45Å; I201-W248 HydrophobicContact CD1-CE3 4.05Å; I201-W248 HydrophobicContact CD1-CZ3 4.43Å; I201-W248 HydrophobicContact CG1-CB 4.28Å; I201-W248 HydrophobicContact CG1-CE3 3.97Å; I201-W248 HydrophobicContact CG2-CB 4.44Å; I202-W248 PolarHBondContact N-O 2.64Å; E246-W248 PolarHBondContact OE1-NE1 3.19Å; W248-R283 HydrophobicContact CG-CB 4.34Å; W248-Y453 WeakPolarHBondContact CZ2-OH 3.38Å
249	L	98.1	Very high	95.9	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.9	168.9	-59.3	-175.1	0	0	0	109.7	I202 I204 I247 L269 L272 L282 R283 L284 G285	I202-L249 HydrophobicContact CB-CD2 4.12Å; I202-L249 WeakPolarHBondContact O-CA 3.34Å; I204-L249 HydrophobicContact CG2-CB 4.24Å; I204-L249 HydrophobicContact CG2-CD1 4.43Å; I204-L249 HydrophobicContact CG2-CD2 3.84Å; I204-L249 HydrophobicContact CG2-CG 4.38Å; I247-L249 HydrophobicContact CG2-CD2 3.89Å; L249-L269 HydrophobicContact CD1-CD2 3.45Å; L249-L269 VanDerWaalsContact CD1-CD2 3.45Å; L249-L272 HydrophobicContact CD1-CD1 3.69Å; L249-L272 HydrophobicContact CD2-CD1 3.9Å; L249-L272 HydrophobicContact CG-CD1 4.38Å; L249-L282 HydrophobicContact CD1-CD1 4.03Å; L249-L282 HydrophobicContact CD1-CD2 4.23Å; L249-L282 HydrophobicContact CD1-CG 4.37Å; L249-L282 HydrophobicContact CD2-CD1 4.18Å; L249-L282 HydrophobicContact CG-CD1 3.76Å; L249-L282 HydrophobicContact CG-CG 4.46Å; L249-R283 PolarHBondContact N-O 3.45Å; L249-L284 HydrophobicContact CB-CD1 4.33Å; L249-L284 HydrophobicContact CD1-CD1 4.22Å; L249-G285 VanDerWaalsContact O-CA 3.24Å; L249-G285 WeakPolarHBondContact O-CA 3.4Å; L249-G285 PolarHBondContact O-N 2.86Å
250	T	95.9	Very high	95.9	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.025	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148	-179.9	-170.2	0	0	0	0	111.7	S68 H69 I201 I202 S203 I204	S68-T250 WeakPolarHBondContact OG-CB 3.49Å; S68-T250 PolarHBondContact OG-OG1 3.37Å; H69-T250 HydrophobicContact CB-CG2 4.09Å; H69-T250 PolarHBondContact N-OG1 2.93Å; I201-T250 HydrophobicContact CG2-CG2 3.58Å; I202-T250 PolarHBondContact O-N 3.2Å; S203-T250 WeakPolarHBondContact CA-O 3.43Å; I204-T250 PolarHBondContact N-O 3.48Å
251	S	95.2	Very high	95.9	Very high	11 Å²	11	21.6 Å²	21.6	8%	0.077	10%	0.101	C	C	.	.			trans	-163.1	167.8	174.7	176.1	0	0	0	0	108.7	N205 D253	N205-S251 PolarHBondContact ND2-OG 3.4Å; N205-S251 VanDerWaalsContact OD1-CB 3.25Å; N205-S251 WeakPolarHBondContact OD1-CB 3.43Å; N205-S251 PolarHBondContact OD1-OG 3.3Å; S251-D253 VanDerWaalsContact OG-C 3.27Å; S251-D253 PolarHBondContact OG-N 3.39Å; S251-D253 PolarHBondContact OG-O 3.02Å
252	E	93.5	Very high	96	Very high	21 Å²	21	19.7 Å²	19.7	10%	0.098	11%	0.113	C	C	.	.	S	Bend	trans	-64.6	-29.2	161.3	-73.8	64	-118.7	0	0	112.1	H69 G207 C208 T217 R221 M286	H69-E252 IonicContact CE1-OE1 2.92Å; H69-E252 IonicContact CE1-OE2 3.8Å; H69-E252 IonicContact CG-OE1 3.47Å; H69-E252 IonicContact ND1-OE1 3.17Å; H69-E252 PolarHBondContact ND1-OE1 2.95Å; H69-E252 IonicContact ND1-OE2 3.36Å; G207-E252 PolarHBondContact N-OE2 3.48Å; C208-E252 HydrophobicContact CB-CB 3.86Å; T217-E252 HydrophobicContact CG2-CG 3.49Å; T217-E252 VanDerWaalsContact CG2-CG 3.49Å; R221-E252 WeakPolarHBondContact CD-OE1 3.34Å; R221-E252 WeakPolarHBondContact CD-OE2 3.15Å; R221-E252 IonicContact NE-OE1 2.7Å; R221-E252 PolarHBondContact NE-OE1 2.99Å; E252-M286 WeakPolarHBondContact O-CE 3.38Å
253	D	95.4	Very high	96.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.			trans	-161.5	101.6	175	-169.1	-10.3	0	0	0	109.5	N210 S251 G255 A256 T287 N288 Y291	N210-D253 PolarHBondContact ND2-OD2 3.37Å; S251-D253 VanDerWaalsContact OG-C 3.27Å; S251-D253 PolarHBondContact OG-N 3.39Å; S251-D253 PolarHBondContact OG-O 3.02Å; D253-G255 VanDerWaalsContact C-N 3.28Å; D253-G255 PolarHBondContact O-N 2.84Å; D253-G255 PolarHBondContact OD1-N 3.45Å; D253-A256 HydrophobicContact CB-CB 4.18Å; D253-A256 PolarHBondContact O-N 3.42Å; D253-T287 WeakPolarHBondContact OD1-CA 3.42Å; D253-N288 PolarHBondContact OD1-N 2.69Å; D253-N288 WeakPolarHBondContact OD2-CB 3.38Å; D253-N288 PolarHBondContact OD2-ND2 3Å; D253-Y291 WeakPolarHBondContact OD2-CD2 3.36Å; D253-Y291 WeakPolarHBondContact OD2-CE2 3.45Å
254	T	96.6	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-65.6	-32.5	-175.7	54.2	0	0	0	0	112.5	I204 A256 Y257 L284 G285 M286	I204-T254 HydrophobicContact CD1-CG2 4.01Å; T254-A256 PolarHBondContact O-N 2.79Å; T254-Y257 VanDerWaalsContact O-CB 3.27Å; T254-Y257 WeakPolarHBondContact O-CB 3.4Å; T254-Y257 PolarHBondContact O-N 3.07Å; T254-Y257 VanDerWaalsContact O-N 3.13Å; T254-L284 HydrophobicContact CG2-CD1 4.1Å; T254-G285 PolarHBondContact OG1-O 3.42Å; T254-M286 WeakPolarHBondContact CB-O 3.27Å; T254-M286 PolarHBondContact N-O 3.07Å; T254-M286 PolarHBondContact OG1-O 3.36Å
255	G	96.1	Very high	96.4	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.021	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-64.4	-23.6	178.3	0	0	0	0	0	113.5	D253 Y257 T287 Y291	D253-G255 VanDerWaalsContact C-N 3.28Å; D253-G255 PolarHBondContact O-N 2.84Å; D253-G255 PolarHBondContact OD1-N 3.45Å; G255-Y257 VanDerWaalsContact C-N 3.28Å; G255-Y257 PolarHBondContact O-N 3.42Å; G255-T287 VanDerWaalsContact CA-OG1 3.31Å; G255-T287 WeakPolarHBondContact CA-OG1 3.35Å; G255-T287 PolarHBondContact N-OG1 3.36Å; G255-Y291 VanDerWaalsContact C-CB 3.4Å; G255-Y291 WeakPolarHBondContact O-CB 3.4Å
256	A	96.2	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-78.5	-10.2	178	0	0	0	0	0	113.5	L209 L224 D253 T254 Y291	L209-A256 HydrophobicContact CD1-CB 4.29Å; L224-A256 HydrophobicContact CD2-CB 4.39Å; L224-A256 WeakPolarHBondContact CD2-O 3.26Å; D253-A256 HydrophobicContact CB-CB 4.18Å; D253-A256 PolarHBondContact O-N 3.42Å; T254-A256 PolarHBondContact O-N 2.79Å; A256-Y291 HydrophobicContact CB-CD2 3.85Å; A256-Y291 HydrophobicContact CB-CE2 3.82Å; A256-Y291 HydrophobicContact CB-CG 4.36Å
257	Y	97.4	Very high	96.5	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	139.5	-175.6	172.8	-93.1	0	0	0	112.3	I204 N205 Y227 I229 L232 T254 G255 R259 T263 L268	I204-Y257 HydrophobicContact CB-CD2 3.88Å; I204-Y257 HydrophobicContact CB-CE2 4.19Å; I204-Y257 HydrophobicContact CD1-CD2 4Å; I204-Y257 HydrophobicContact CD1-CG 3.97Å; I204-Y257 HydrophobicContact CG1-CD2 3.9Å; I204-Y257 HydrophobicContact CG1-CG 4.37Å; I204-Y257 WeakPolarHBondContact O-CD2 3.43Å; I204-Y257 VanDerWaalsContact O-CE2 3.28Å; I204-Y257 WeakPolarHBondContact O-CE2 3.36Å; N205-Y257 HydrophobicContact CB-CD2 4.45Å; Y227-Y257 WeakPolarHBondContact O-CE2 3.48Å; Y227-Y257 PolarHBondContact O-OH 2.91Å; I229-Y257 HydrophobicContact CG1-CE1 4.33Å; I229-Y257 VanDerWaalsContact CG1-OH 3.27Å; I229-Y257 WeakPolarHBondContact CG1-OH 3.37Å; L232-Y257 HydrophobicContact CD1-CE2 3.7Å; T254-Y257 VanDerWaalsContact O-CB 3.27Å; T254-Y257 WeakPolarHBondContact O-CB 3.4Å; T254-Y257 PolarHBondContact O-N 3.07Å; T254-Y257 VanDerWaalsContact O-N 3.13Å; G255-Y257 VanDerWaalsContact C-N 3.28Å; G255-Y257 PolarHBondContact O-N 3.42Å; Y257-R259 VanDerWaalsContact C-N 3.28Å; Y257-R259 PolarHBondContact O-N 2.91Å; Y257-T263 HydrophobicContact CE1-CG2 3.79Å; Y257-L268 HydrophobicContact CD1-CB 4.12Å; Y257-L268 HydrophobicContact CD1-CD2 3.88Å; Y257-L268 HydrophobicContact CD2-CD2 4.29Å; Y257-L268 HydrophobicContact CE1-CB 3.61Å; Y257-L268 HydrophobicContact CE1-CD2 3.64Å; Y257-L268 HydrophobicContact CE1-CG 4.15Å; Y257-L268 HydrophobicContact CE2-CD2 4.07Å; Y257-L268 HydrophobicContact CG-CD2 4.2Å
258	G	95.9	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-18.5	168.7	0	0	0	0	0	115.4	S226 D260 I261 G262 T263	S226-G258 PolarHBondContact OG-N 3.12Å; S226-G258 VanDerWaalsContact OG-N 3.14Å; G258-D260 PolarHBondContact O-N 2.91Å; G258-D260 VanDerWaalsContact O-N 3.17Å; G258-I261 CarbonylContact O-C 3.59Å; G258-I261 WeakPolarHBondContact O-CG1 3.45Å; G258-I261 PolarHBondContact O-N 3.48Å; G258-G262 PolarHBondContact O-N 2.9Å; G258-T263 CarbonylContact C-O 3.59Å; G258-T263 VanDerWaalsContact CA-CG2 3.48Å; G258-T263 WeakPolarHBondContact CA-O 3.43Å; G258-T263 PolarHBondContact O-N 3.22Å
259	R	95.1	Very high	96.5	Very high	93 Å²	93	23.8 Å²	23.8	35%	0.351	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.9	-178.2	-68.3	-174.9	-177.3	-103.9	-14.5	113.7	L209 L224 Y257 E294	L209-R259 HydrophobicContact CD1-CB 4.35Å; L224-R259 HydrophobicContact CD2-CB 4.16Å; Y257-R259 VanDerWaalsContact C-N 3.28Å; Y257-R259 PolarHBondContact O-N 2.91Å; R259-E294 IonicContact CZ-OE1 3.49Å; R259-E294 IonicContact CZ-OE2 3.98Å; R259-E294 IonicContact NH1-OE1 3.72Å; R259-E294 PolarHBondContact NH1-OE1 3.34Å; R259-E294 IonicContact NH1-OE2 3.59Å; R259-E294 PolarHBondContact NH1-OE2 3.29Å; R259-E294 VanDerWaalsContact NH1-OE2 3.17Å; R259-E294 IonicContact NH2-OE1 2.68Å; R259-E294 PolarHBondContact NH2-OE1 3.49Å; R259-E294 IonicContact NH2-OE2 3.8Å; R259-E294 PolarHBondContact NH2-OE2 3.44Å
260	D	95.1	Very high	96.5	Very high	61 Å²	61	27.7 Å²	27.7	33%	0.326	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.2	178.8	62.7	-51.9	0	0	0	114	L224 A225 S226 G258	L224-D260 HydrophobicContact CD2-CB 4.15Å; L224-D260 WeakPolarHBondContact CD2-OD1 3.49Å; L224-D260 HydrophobicContact CG-CB 4.34Å; A225-D260 VanDerWaalsContact CA-OD2 3.29Å; A225-D260 WeakPolarHBondContact CA-OD2 3.38Å; S226-D260 WeakPolarHBondContact CB-OD1 3.26Å; S226-D260 PolarHBondContact N-OD2 3.5Å; S226-D260 PolarHBondContact OG-OD1 3.28Å; G258-D260 PolarHBondContact O-N 2.91Å; G258-D260 VanDerWaalsContact O-N 3.17Å
261	I	94.9	Very high	96.6	Very high	68 Å²	68	31 Å²	31	35%	0.349	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	7.1	-178.1	62.6	170.4	0	0	0	113.6	G258 T263	G258-I261 CarbonylContact O-C 3.59Å; G258-I261 WeakPolarHBondContact O-CG1 3.45Å; G258-I261 PolarHBondContact O-N 3.48Å; I261-T263 HydrophobicContact CD1-CG2 3.87Å; I261-T263 HydrophobicContact CG1-CG2 3.84Å
262	G	95.6	Very high	96.8	Very high	79 Å²	79	30.6 Å²	30.6	81%	0.814	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	30.8	175.9	0	0	0	0	0	114.7	G258	G258-G262 PolarHBondContact O-N 2.9Å
263	T	96.6	Very high	97	Very high	37 Å²	37	29.9 Å²	29.9	23%	0.227	16%	0.163	C	C	.	.			trans	-132.9	-175	171.9	-165.6	0	0	0	0	109.9	I229 Y257 G258 I261	I229-T263 HydrophobicContact CD1-CG2 4.07Å; I229-T263 WeakPolarHBondContact CD1-OG1 3.31Å; I229-T263 HydrophobicContact CG1-CG2 4.35Å; Y257-T263 HydrophobicContact CE1-CG2 3.79Å; G258-T263 CarbonylContact C-O 3.59Å; G258-T263 VanDerWaalsContact CA-CG2 3.48Å; G258-T263 WeakPolarHBondContact CA-O 3.43Å; G258-T263 PolarHBondContact O-N 3.22Å; I261-T263 HydrophobicContact CD1-CG2 3.87Å; I261-T263 HydrophobicContact CG1-CG2 3.84Å
264	D	97.4	Very high	97.1	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.251	19%	0.193	S	C	.	.			trans	-137.3	172.3	176.3	58.4	38.7	0	0	0	113.1	P266 T267 L268	D264-P266 WeakPolarHBondContact OD1-CD 3.5Å; D264-T267 WeakPolarHBondContact OD1-CB 3.43Å; D264-T267 PolarHBondContact OD1-N 3.2Å; D264-T267 PolarHBondContact OD1-OG1 2.85Å; D264-L268 PolarHBondContact O-N 3.38Å
265	L	97.8	Very high	97	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-47.7	178.1	177.2	67.8	0	0	0	112.7	I204 T267 L268 L269 L284 M299	I204-L265 HydrophobicContact CD1-CD1 4.06Å; L265-T267 VanDerWaalsContact C-N 3.29Å; L265-T267 PolarHBondContact O-N 3.05Å; L265-L268 WeakPolarHBondContact O-CB 3.49Å; L265-L268 PolarHBondContact O-N 2.86Å; L265-L268 VanDerWaalsContact O-N 3.15Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CD2 4.25Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 4.22Å; L265-L269 HydrophobicContact CG-CD1 3.75Å; L265-L269 HydrophobicContact CG-CG 4.11Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 2.88Å; L265-L284 HydrophobicContact CD1-CD1 4.28Å; L265-L284 HydrophobicContact CD2-CD1 4.41Å; L265-L284 HydrophobicContact CD2-CD2 4.24Å; L265-M299 HydrophobicContact CD2-CE 4.42Å; L265-M299 HydrophobicContact CD2-SD 4.17Å
266	P	98.2	Very high	97.1	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.039	20%	0.204	C	C	.	.	H	α-helix	trans	-54.9	-42.1	177.9	-28.2	36.1	0	0	0	113.8	D264 L268 L269 W270 H295 E298 M299 I302	D264-P266 WeakPolarHBondContact OD1-CD 3.5Å; P266-L268 PolarHBondContact O-N 3.34Å; P266-L269 PolarHBondContact O-N 3.05Å; P266-W270 VanDerWaalsContact O-CD1 3.25Å; P266-W270 PolarHBondContact O-N 2.8Å; P266-H295 HydrophobicContact CG-CB 3.71Å; P266-E298 HydrophobicContact CB-CB 4.03Å; P266-E298 HydrophobicContact CG-CB 4.17Å; P266-M299 HydrophobicContact CG-SD 4.29Å; P266-I302 HydrophobicContact CB-CD1 4.03Å
267	T	98.4	Very high	97	Very high	62 Å²	62	39.4 Å²	39.4	38%	0.38	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-45.7	177.7	-59.1	0	0	0	0	111.1	I229 D264 L265 R271	I229-T267 HydrophobicContact CD1-CG2 3.78Å; D264-T267 WeakPolarHBondContact OD1-CB 3.43Å; D264-T267 PolarHBondContact OD1-N 3.2Å; D264-T267 PolarHBondContact OD1-OG1 2.85Å; L265-T267 VanDerWaalsContact C-N 3.29Å; L265-T267 PolarHBondContact O-N 3.05Å; T267-R271 VanDerWaalsContact O-CG 3.24Å; T267-R271 WeakPolarHBondContact O-CG 3.4Å; T267-R271 PolarHBondContact O-N 2.84Å
268	L	98.6	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-47.6	174.8	170.4	64.7	0	0	0	111.6	I204 I229 L232 Y257 D264 L265 P266 W270 R271 L272	I204-L268 HydrophobicContact CB-CD2 4.14Å; I204-L268 HydrophobicContact CD1-CD2 4.29Å; I204-L268 HydrophobicContact CG2-CD2 3.93Å; I229-L268 HydrophobicContact CB-CD1 4.49Å; I229-L268 HydrophobicContact CD1-CB 4.42Å; I229-L268 HydrophobicContact CG1-CB 4.33Å; I229-L268 HydrophobicContact CG1-CD1 4.23Å; I229-L268 HydrophobicContact CG2-CD1 4.2Å; L232-L268 HydrophobicContact CB-CD1 3.92Å; L232-L268 HydrophobicContact CD1-CD1 3.66Å; L232-L268 HydrophobicContact CD1-CD2 3.71Å; L232-L268 HydrophobicContact CD1-CG 4.35Å; L232-L268 HydrophobicContact CG-CD1 4.45Å; Y257-L268 HydrophobicContact CD1-CB 4.12Å; Y257-L268 HydrophobicContact CD1-CD2 3.88Å; Y257-L268 HydrophobicContact CD2-CD2 4.29Å; Y257-L268 HydrophobicContact CE1-CB 3.61Å; Y257-L268 HydrophobicContact CE1-CD2 3.64Å; Y257-L268 HydrophobicContact CE1-CG 4.15Å; Y257-L268 HydrophobicContact CE2-CD2 4.07Å; Y257-L268 HydrophobicContact CG-CD2 4.2Å; D264-L268 PolarHBondContact O-N 3.38Å; L265-L268 WeakPolarHBondContact O-CB 3.49Å; L265-L268 PolarHBondContact O-N 2.86Å; L265-L268 VanDerWaalsContact O-N 3.15Å; P266-L268 PolarHBondContact O-N 3.34Å; L268-W270 PolarHBondContact O-N 3.45Å; L268-R271 WeakPolarHBondContact O-CB 3.49Å; L268-R271 PolarHBondContact O-N 3.15Å; L268-L272 HydrophobicContact CD1-CD1 3.82Å; L268-L272 HydrophobicContact CD1-CD2 4.49Å; L268-L272 HydrophobicContact CD1-CG 3.88Å; L268-L272 HydrophobicContact CD2-CD1 4.37Å; L268-L272 HydrophobicContact CG-CD1 3.82Å; L268-L272 HydrophobicContact CG-CG 4.29Å; L268-L272 WeakPolarHBondContact O-CG 3.29Å; L268-L272 PolarHBondContact O-N 2.66Å
269	L	98.4	Very high	96.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-42.2	-176.1	-67.3	176.3	0	0	0	111.9	L249 L265 P266 R271 L272 V273 L282 L284 M299 I302	L249-L269 HydrophobicContact CD1-CD2 3.45Å; L249-L269 VanDerWaalsContact CD1-CD2 3.45Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CD2 4.25Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 4.22Å; L265-L269 HydrophobicContact CG-CD1 3.75Å; L265-L269 HydrophobicContact CG-CG 4.11Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 2.88Å; P266-L269 PolarHBondContact O-N 3.05Å; L269-R271 VanDerWaalsContact C-N 3.31Å; L269-R271 PolarHBondContact O-N 3.36Å; L269-L272 PolarHBondContact O-N 2.83Å; L269-V273 WeakPolarHBondContact O-CB 3.3Å; L269-V273 VanDerWaalsContact O-CG2 3.24Å; L269-V273 WeakPolarHBondContact O-CG2 3.29Å; L269-V273 PolarHBondContact O-N 2.94Å; L269-L282 HydrophobicContact CD2-CD2 3.86Å; L269-L284 HydrophobicContact CD1-CD2 4.16Å; L269-L284 HydrophobicContact CD2-CD1 4.24Å; L269-M299 HydrophobicContact CD1-CE 3.71Å; L269-M299 HydrophobicContact CD1-SD 3.79Å; L269-I302 HydrophobicContact CB-CD1 3.88Å; L269-I302 HydrophobicContact CB-CG1 4.49Å; L269-I302 HydrophobicContact CB-CG2 4.09Å; L269-I302 HydrophobicContact CD1-CD1 4.02Å; L269-I302 HydrophobicContact CD1-CG2 4.03Å
270	W	98.5	Very high	96.6	Very high	86 Å²	86	42.3 Å²	42.3	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-37.5	175.2	-78.9	123.8	0	0	0	112.7	P266 L268 Q274 E298 K301 I302	P266-W270 VanDerWaalsContact O-CD1 3.25Å; P266-W270 PolarHBondContact O-N 2.8Å; L268-W270 PolarHBondContact O-N 3.45Å; W270-Q274 WeakPolarHBondContact O-CG 3.44Å; W270-E298 PolarHBondContact NE1-OE2 2.9Å; W270-K301 HydrophobicContact CZ2-CB 4Å; W270-I302 HydrophobicContact CD2-CG1 4.13Å; W270-I302 HydrophobicContact CH2-CG1 4.4Å; W270-I302 HydrophobicContact CZ2-CG1 3.77Å
271	R	98.4	Very high	96.7	Very high	73 Å²	73	39.9 Å²	39.9	28%	0.275	22%	0.218	S	C	.	.	H	α-helix	trans	-67	-42.3	174.4	-69	-68.8	-56.2	-72.3	-3.5	112	I229 E230 V233 T267 L268 L269	I229-R271 HydrophobicContact CG2-CB 4.01Å; I229-R271 HydrophobicContact CG2-CG 4.03Å; E230-R271 IonicContact OE1-CZ 3.51Å; E230-R271 VanDerWaalsContact OE1-CZ 3.23Å; E230-R271 IonicContact OE1-NH1 2.79Å; E230-R271 PolarHBondContact OE1-NH1 3.4Å; E230-R271 IonicContact OE1-NH2 3.84Å; E230-R271 PolarHBondContact OE1-NH2 2.57Å; E230-R271 IonicContact OE2-CZ 3.77Å; E230-R271 IonicContact OE2-NH2 3.31Å; E230-R271 PolarHBondContact OE2-NH2 2.75Å; V233-R271 HydrophobicContact CG2-CB 3.91Å; T267-R271 VanDerWaalsContact O-CG 3.24Å; T267-R271 WeakPolarHBondContact O-CG 3.4Å; T267-R271 PolarHBondContact O-N 2.84Å; L268-R271 WeakPolarHBondContact O-CB 3.49Å; L268-R271 PolarHBondContact O-N 3.15Å; L269-R271 VanDerWaalsContact C-N 3.31Å; L269-R271 PolarHBondContact O-N 3.36Å
272	L	98.3	Very high	96.9	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-44.7	177.7	-73.2	172.8	0	0	0	112.1	V233 A236 L249 L268 L269 Q274 E275 I276	V233-L272 HydrophobicContact CG2-CD2 4.27Å; A236-L272 HydrophobicContact CB-CD2 3.68Å; L249-L272 HydrophobicContact CD1-CD1 3.69Å; L249-L272 HydrophobicContact CD2-CD1 3.9Å; L249-L272 HydrophobicContact CG-CD1 4.38Å; L268-L272 HydrophobicContact CD1-CD1 3.82Å; L268-L272 HydrophobicContact CD1-CD2 4.49Å; L268-L272 HydrophobicContact CD1-CG 3.88Å; L268-L272 HydrophobicContact CD2-CD1 4.37Å; L268-L272 HydrophobicContact CG-CD1 3.82Å; L268-L272 HydrophobicContact CG-CG 4.29Å; L268-L272 WeakPolarHBondContact O-CG 3.29Å; L268-L272 PolarHBondContact O-N 2.66Å; L269-L272 PolarHBondContact O-N 2.83Å; L272-Q274 PolarHBondContact O-N 2.93Å; L272-Q274 VanDerWaalsContact O-N 3.12Å; L272-E275 WeakPolarHBondContact O-CB 3.3Å; L272-E275 PolarHBondContact O-N 2.77Å; L272-I276 WeakPolarHBondContact O-CG1 3.3Å; L272-I276 PolarHBondContact O-N 2.92Å
273	V	97.6	Very high	97	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-31.3	-178.4	163.9	0	0	0	0	113.1	L269 E275 I276 H305 R307 V308	L269-V273 WeakPolarHBondContact O-CB 3.3Å; L269-V273 VanDerWaalsContact O-CG2 3.24Å; L269-V273 WeakPolarHBondContact O-CG2 3.29Å; L269-V273 PolarHBondContact O-N 2.94Å; V273-E275 VanDerWaalsContact C-N 3.26Å; V273-E275 PolarHBondContact O-N 3.35Å; V273-I276 HydrophobicContact CG2-CD1 4.41Å; V273-I276 PolarHBondContact O-N 3.03Å; V273-H305 WeakPolarHBondContact CG1-CE1 3.43Å; V273-H305 WeakPolarHBondContact CG1-ND1 3.19Å; V273-H305 WeakPolarHBondContact CG1-NE2 3.42Å; V273-R307 PolarHBondContact O-NH1 3.17Å; V273-V308 HydrophobicContact CG2-CG2 3.51Å
274	Q	96.9	Very high	97.1	Very high	132 Å²	132	34.2 Å²	34.2	62%	0.617	16%	0.164	S	C	*	.	H	α-helix	trans	-65	-30.2	176.4	-68.1	170.7	7.3	0	0	112.7	W270 L272	W270-Q274 WeakPolarHBondContact O-CG 3.44Å; L272-Q274 PolarHBondContact O-N 2.93Å; L272-Q274 VanDerWaalsContact O-N 3.12Å
275	E	96.3	Very high	96.9	Very high	50 Å²	50	32.7 Å²	32.7	23%	0.234	16%	0.159	C	C	.	.	H	α-helix	trans	-86.7	-15.3	-179.8	-56.1	-60.4	146.1	0	0	113.2	V233 R237 F240 L272 V273 P277	V233-E275 HydrophobicContact CG1-CG 3.78Å; R237-E275 IonicContact CZ-OE1 3.94Å; R237-E275 IonicContact CZ-OE2 3.34Å; R237-E275 IonicContact NE-OE1 2.9Å; R237-E275 IonicContact NE-OE2 2.91Å; R237-E275 PolarHBondContact NE-OE2 2.95Å; R237-E275 IonicContact NH2-OE1 2.78Å; R237-E275 PolarHBondContact NH2-OE1 2.94Å; R237-E275 IonicContact NH2-OE2 3.99Å; R237-E275 PolarHBondContact NH2-OE2 3.17Å; R237-E275 VanDerWaalsContact NH2-OE2 3.07Å; F240-E275 WeakPolarHBondContact CD2-O 3.43Å; L272-E275 WeakPolarHBondContact O-CB 3.3Å; L272-E275 PolarHBondContact O-N 2.77Å; V273-E275 VanDerWaalsContact C-N 3.26Å; V273-E275 PolarHBondContact O-N 3.35Å; E275-P277 WeakPolarHBondContact O-CD 3.49Å
276	I	96.4	Very high	96.8	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-75.6	123.5	-175.5	-53.8	179.1	0	0	0	109.3	F240 L272 V273 A280 L282 R307	F240-I276 HydrophobicContact CE1-CG2 4.32Å; F240-I276 HydrophobicContact CE2-CB 4.21Å; F240-I276 HydrophobicContact CE2-CG1 3.88Å; F240-I276 HydrophobicContact CE2-CG2 4.47Å; F240-I276 HydrophobicContact CZ-CB 4.04Å; F240-I276 HydrophobicContact CZ-CG1 3.8Å; F240-I276 HydrophobicContact CZ-CG2 3.82Å; L272-I276 WeakPolarHBondContact O-CG1 3.3Å; L272-I276 PolarHBondContact O-N 2.92Å; V273-I276 HydrophobicContact CG2-CD1 4.41Å; V273-I276 PolarHBondContact O-N 3.03Å; I276-A280 HydrophobicContact CG2-CB 3.62Å; I276-A280 WeakPolarHBondContact CG2-O 3.33Å; I276-L282 HydrophobicContact CD1-CB 3.56Å; I276-L282 HydrophobicContact CD1-CD1 4.4Å; I276-L282 HydrophobicContact CD1-CD2 4.22Å; I276-L282 HydrophobicContact CD1-CG 4.29Å; I276-R307 HydrophobicContact CB-CB 4.21Å; I276-R307 HydrophobicContact CD1-CB 4.4Å; I276-R307 HydrophobicContact CG2-CB 3.94Å; I276-R307 HydrophobicContact CG2-CG 4.36Å; I276-R307 WeakPolarHBondContact O-CD 3.16Å; I276-R307 PolarHBondContact O-NE 3.03Å; I276-R307 PolarHBondContact O-NH1 3.26Å
277	P	94.9	Very high	96.7	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.104	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-60.4	162.9	174.2	-23.1	34	0	0	0	112.6	F240 E275 G279 A280 P494 I496	F240-P277 HydrophobicContact CB-CG 4.1Å; F240-P277 VanDerWaalsContact CD1-CD 3.44Å; F240-P277 HydrophobicContact CD1-CG 3.91Å; F240-P277 HydrophobicContact CG-CG 3.94Å; E275-P277 WeakPolarHBondContact O-CD 3.49Å; P277-G279 PolarHBondContact O-N 3.06Å; P277-A280 HydrophobicContact CB-CB 4.25Å; P277-A280 HydrophobicContact CG-CB 4.4Å; P277-A280 PolarHBondContact O-N 3.42Å; P277-P494 VanDerWaalsContact CB-O 3.26Å; P277-P494 WeakPolarHBondContact CB-O 3.22Å; P277-I496 HydrophobicContact CB-CD1 4.35Å; P277-I496 HydrophobicContact CB-CG1 4.18Å; P277-I496 HydrophobicContact CG-CD1 3.67Å; P277-I496 HydrophobicContact CG-CG1 3.81Å
278	E	92.8	Very high	96.5	Very high	138 Å²	138	32 Å²	32	65%	0.645	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	140.6	169.7	-172.3	170.3	-176.3	0	0	110.7	A280 F492 P494	E278-A280 PolarHBondContact O-N 2.91Å; E278-A280 VanDerWaalsContact O-N 3.09Å; E278-F492 HydrophobicContact CB-CZ 4.08Å; E278-F492 HydrophobicContact CG-CE1 4.46Å; E278-F492 HydrophobicContact CG-CZ 4.07Å; E278-F492 WeakPolarHBondContact O-CE1 3.13Å; E278-P494 WeakPolarHBondContact O-CA 3.38Å
279	G	91	Very high	96.3	Very high	17 Å²	17	32 Å²	32	18%	0.175	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-4.9	-176.1	0	0	0	0	0	116.7	P277 M468 P494	P277-G279 PolarHBondContact O-N 3.06Å; G279-M468 WeakPolarHBondContact O-CE 3.33Å; G279-P494 VanDerWaalsContact C-CB 3.46Å; G279-P494 WeakPolarHBondContact O-CG 3.29Å
280	A	96.6	Very high	96.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	16%	0.157	C	C	.	.			trans	-86	154.5	172.2	0	0	0	0	0	109.5	F240 C245 I276 P277 E278 P494	F240-A280 HydrophobicContact CD1-CB 4.48Å; F240-A280 HydrophobicContact CE1-CB 3.89Å; C245-A280 WeakPolarHBondContact O-CA 3.32Å; C245-A280 VanDerWaalsContact O-CB 3.29Å; C245-A280 WeakPolarHBondContact O-CB 3.23Å; I276-A280 HydrophobicContact CG2-CB 3.62Å; I276-A280 WeakPolarHBondContact CG2-O 3.33Å; P277-A280 HydrophobicContact CB-CB 4.25Å; P277-A280 HydrophobicContact CG-CB 4.4Å; P277-A280 PolarHBondContact O-N 3.42Å; E278-A280 PolarHBondContact O-N 2.91Å; E278-A280 VanDerWaalsContact O-N 3.09Å; A280-P494 HydrophobicContact CB-CB 3.97Å
281	M	98	Very high	95.8	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.044	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140	-167.7	-62.1	-61.4	-71.7	0	0	113.6	C245 E246 I247 R307 Y309 L435 K451 M468	C245-M281 PolarHBondContact O-N 2.83Å; E246-M281 CarbonylContact C-O 3.53Å; E246-M281 WeakPolarHBondContact CA-O 3.34Å; I247-M281 PolarHBondContact N-O 3.5Å; M281-R307 CarbonylContact C-O 3.59Å; M281-Y309 HydrophobicContact CB-CD2 4.01Å; M281-Y309 HydrophobicContact CB-CE1 4.04Å; M281-Y309 HydrophobicContact CB-CE2 3.36Å; M281-Y309 HydrophobicContact CE-CD1 3.35Å; M281-Y309 HydrophobicContact CE-CD2 4.34Å; M281-Y309 HydrophobicContact CE-CE1 3.49Å; M281-Y309 VanDerWaalsContact CE-CE1 3.49Å; M281-Y309 HydrophobicContact CE-CE2 4.47Å; M281-Y309 HydrophobicContact CE-CG 3.82Å; M281-Y309 HydrophobicContact CG-CE1 3.92Å; M281-Y309 HydrophobicContact CG-CE2 4.16Å; M281-L435 HydrophobicContact CB-CD2 4.19Å; M281-L435 HydrophobicContact CG-CD2 3.94Å; M281-K451 HydrophobicContact CE-CD 4.39Å; M281-M468 HydrophobicContact CG-CE 4.33Å; M281-M468 HydrophobicContact SD-CE 4.49Å
282	L	98.5	Very high	95.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.4	168.4	-168.8	63.1	0	0	0	110.7	I247 L249 L269 I276 R307 V308 Y309	I247-L282 HydrophobicContact CB-CD1 3.81Å; I247-L282 HydrophobicContact CG2-CD1 3.65Å; L249-L282 HydrophobicContact CD1-CD1 4.03Å; L249-L282 HydrophobicContact CD1-CD2 4.23Å; L249-L282 HydrophobicContact CD1-CG 4.37Å; L249-L282 HydrophobicContact CD2-CD1 4.18Å; L249-L282 HydrophobicContact CG-CD1 3.76Å; L249-L282 HydrophobicContact CG-CG 4.46Å; L269-L282 HydrophobicContact CD2-CD2 3.86Å; I276-L282 HydrophobicContact CD1-CB 3.56Å; I276-L282 HydrophobicContact CD1-CD1 4.4Å; I276-L282 HydrophobicContact CD1-CD2 4.22Å; I276-L282 HydrophobicContact CD1-CG 4.29Å; L282-R307 PolarHBondContact N-O 3.2Å; L282-V308 HydrophobicContact CB-CG1 4.47Å; L282-V308 HydrophobicContact CB-CG2 4.24Å; L282-V308 HydrophobicContact CD2-CG2 4.34Å; L282-Y309 WeakPolarHBondContact O-CD2 3.38Å; L282-Y309 PolarHBondContact O-N 3.01Å
283	R	98.1	Very high	95.4	Very high	59 Å²	59	27.5 Å²	27.5	22%	0.223	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.5	168.3	-172.9	-171.6	176.3	-172.5	-1.6	109.8	I247 W248 L249 Y309 Y453	I247-R283 PolarHBondContact O-N 3.33Å; W248-R283 HydrophobicContact CG-CB 4.34Å; L249-R283 PolarHBondContact N-O 3.45Å; R283-Y309 HydrophobicContact CB-CD2 3.8Å; R283-Y309 HydrophobicContact CB-CE2 4.24Å; R283-Y309 HydrophobicContact CG-CD2 4.36Å; R283-Y453 VanDerWaalsContact CD-CZ 3.41Å; R283-Y453 HydrophobicContact CG-CE2 4.36Å; R283-Y453 PolarHBondContact NH1-OH 3.46Å
284	L	97.5	Very high	95.3	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-84.2	136.7	171.2	-173.4	57.7	0	0	0	110.8	L249 T254 L265 L269 M299 L312	L249-L284 HydrophobicContact CB-CD1 4.33Å; L249-L284 HydrophobicContact CD1-CD1 4.22Å; T254-L284 HydrophobicContact CG2-CD1 4.1Å; L265-L284 HydrophobicContact CD1-CD1 4.28Å; L265-L284 HydrophobicContact CD2-CD1 4.41Å; L265-L284 HydrophobicContact CD2-CD2 4.24Å; L269-L284 HydrophobicContact CD1-CD2 4.16Å; L269-L284 HydrophobicContact CD2-CD1 4.24Å; L284-M299 HydrophobicContact CD2-CE 3.44Å; L284-M299 VanDerWaalsContact CD2-CE 3.44Å; L284-L312 HydrophobicContact CD2-CD1 3.65Å; L284-L312 HydrophobicContact CG-CD1 4.13Å
285	G	94.7	Very high	95.2	Very high	15 Å²	15	28.3 Å²	28.3	16%	0.155	14%	0.143	C	C	.	.			trans	-73.3	-171.7	174.3	0	0	0	0	0	113.5	L249 T254	L249-G285 VanDerWaalsContact O-CA 3.24Å; L249-G285 WeakPolarHBondContact O-CA 3.4Å; L249-G285 PolarHBondContact O-N 2.86Å; T254-G285 PolarHBondContact OG1-O 3.42Å
286	M	95.1	Very high	95.2	Very high	50 Å²	50	26.5 Å²	26.5	25%	0.246	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-63.7	141.2	179.1	-179	-169	65.3	0	0	112.2	E252 T254 H313 P315	E252-M286 WeakPolarHBondContact O-CE 3.38Å; T254-M286 WeakPolarHBondContact CB-O 3.27Å; T254-M286 PolarHBondContact N-O 3.07Å; T254-M286 PolarHBondContact OG1-O 3.36Å; M286-H313 WeakPolarHBondContact CA-O 3.27Å; M286-H313 HydrophobicContact CB-CB 4.31Å; M286-P315 HydrophobicContact CG-CG 3.89Å; M286-P315 HydrophobicContact SD-CB 4.39Å; M286-P315 HydrophobicContact SD-CG 3.8Å
287	T	95.3	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.			trans	-134	136.9	172.8	-176	0	0	0	0	110.6	D253 G255 I292 L312 H313 V314 P315	D253-T287 WeakPolarHBondContact OD1-CA 3.42Å; G255-T287 VanDerWaalsContact CA-OG1 3.31Å; G255-T287 WeakPolarHBondContact CA-OG1 3.35Å; G255-T287 PolarHBondContact N-OG1 3.36Å; T287-I292 HydrophobicContact CG2-CB 3.95Å; T287-I292 HydrophobicContact CG2-CD1 4.01Å; T287-I292 HydrophobicContact CG2-CG1 4.07Å; T287-I292 HydrophobicContact CG2-CG2 4.34Å; T287-L312 HydrophobicContact CG2-CD1 3.79Å; T287-L312 HydrophobicContact CG2-CD2 3.87Å; T287-L312 HydrophobicContact CG2-CG 3.91Å; T287-H313 PolarHBondContact N-O 3.48Å; T287-V314 HydrophobicContact CG2-CG2 4.19Å; T287-P315 WeakPolarHBondContact O-CD 3.1Å
288	N	94.9	Very high	95.3	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	17%	0.173	C	C	.	.			trans	-78.7	152.5	173.7	-70.5	-72.7	0	0	0	111.7	N210 D253 P290 Y291 I292 P315 R329	N210-N288 PolarHBondContact ND2-ND2 3.01Å; N210-N288 VanDerWaalsContact ND2-ND2 3.19Å; D253-N288 PolarHBondContact OD1-N 2.69Å; D253-N288 WeakPolarHBondContact OD2-CB 3.38Å; D253-N288 PolarHBondContact OD2-ND2 3Å; N288-P290 VanDerWaalsContact C-CD 3.42Å; N288-Y291 PolarHBondContact O-N 3.2Å; N288-I292 PolarHBondContact O-N 2.83Å; N288-P315 WeakPolarHBondContact OD1-CG 3.45Å; N288-R329 PolarHBondContact OD1-NH1 2.75Å
289	P	94.8	Very high	95.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-50.7	-45.3	-179.9	-28.3	34.4	0	0	0	116.3	Y291 I292 L293 V314 Y331 F336	P289-Y291 VanDerWaalsContact C-N 3.29Å; P289-Y291 PolarHBondContact O-N 2.78Å; P289-I292 WeakPolarHBondContact O-CG2 3.42Å; P289-I292 PolarHBondContact O-N 3.49Å; P289-L293 WeakPolarHBondContact O-CB 3.45Å; P289-L293 WeakPolarHBondContact O-CD1 3.31Å; P289-L293 WeakPolarHBondContact O-CG 3.14Å; P289-L293 PolarHBondContact O-N 3.31Å; P289-V314 HydrophobicContact CG-CG1 3.88Å; P289-Y331 HydrophobicContact CB-CD1 4.13Å; P289-Y331 HydrophobicContact CB-CD2 4.15Å; P289-Y331 HydrophobicContact CB-CG 3.88Å; P289-Y331 HydrophobicContact CG-CD1 4.05Å; P289-Y331 HydrophobicContact CG-CD2 3.88Å; P289-Y331 HydrophobicContact CG-CE1 4.02Å; P289-Y331 HydrophobicContact CG-CE2 3.9Å; P289-Y331 HydrophobicContact CG-CG 3.97Å; P289-F336 HydrophobicContact CG-CD2 4.33Å
290	P	93.3	Very high	95.9	Very high	19 Å²	19	27.8 Å²	27.8	12%	0.123	14%	0.136	C	C	.	.	H	α-helix	trans	-57.8	-42.1	-174.2	-24.4	33.2	0	0	0	112.9	N288 E330 Y331	N288-P290 VanDerWaalsContact C-CD 3.42Å; P290-E330 HydrophobicContact CG-CB 4.14Å; P290-Y331 VanDerWaalsContact CD-CD1 3.48Å; P290-Y331 HydrophobicContact CG-CD1 3.68Å; P290-Y331 HydrophobicContact CG-CG 4.3Å
291	Y	93.3	Very high	96	Very high	12 Å²	12	33 Å²	33	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-82.4	-32.3	-173.7	-52.9	-50.7	0	0	0	113.1	L209 N210 D253 G255 A256 N288 P289 L293 H295	L209-Y291 VanDerWaalsContact CB-OH 3.3Å; L209-Y291 WeakPolarHBondContact CB-OH 3.29Å; L209-Y291 HydrophobicContact CD1-CE1 4.5Å; N210-Y291 PolarHBondContact OD1-OH 3.42Å; D253-Y291 WeakPolarHBondContact OD2-CD2 3.36Å; D253-Y291 WeakPolarHBondContact OD2-CE2 3.45Å; G255-Y291 VanDerWaalsContact C-CB 3.4Å; G255-Y291 WeakPolarHBondContact O-CB 3.4Å; A256-Y291 HydrophobicContact CB-CD2 3.85Å; A256-Y291 HydrophobicContact CB-CE2 3.82Å; A256-Y291 HydrophobicContact CB-CG 4.36Å; N288-Y291 PolarHBondContact O-N 3.2Å; P289-Y291 VanDerWaalsContact C-N 3.29Å; P289-Y291 PolarHBondContact O-N 2.78Å; Y291-L293 VanDerWaalsContact C-N 3.35Å; Y291-H295 PolarHBondContact O-CD2 3.23Å
292	I	93.6	Very high	96	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-74.6	-30	176.1	-162.2	72.5	0	0	0	111.6	T287 N288 P289 E294 H295 L296 M299 L312 V339	T287-I292 HydrophobicContact CG2-CB 3.95Å; T287-I292 HydrophobicContact CG2-CD1 4.01Å; T287-I292 HydrophobicContact CG2-CG1 4.07Å; T287-I292 HydrophobicContact CG2-CG2 4.34Å; N288-I292 PolarHBondContact O-N 2.83Å; P289-I292 WeakPolarHBondContact O-CG2 3.42Å; P289-I292 PolarHBondContact O-N 3.49Å; I292-E294 PolarHBondContact O-N 2.82Å; I292-H295 CarbonylContact O-C 3.56Å; I292-H295 PolarHBondContact O-N 3.48Å; I292-L296 HydrophobicContact CG1-CD2 4.44Å; I292-L296 PolarHBondContact O-N 3.42Å; I292-L296 VanDerWaalsContact O-N 3.13Å; I292-M299 HydrophobicContact CD1-CB 4.08Å; I292-M299 HydrophobicContact CD1-CE 3.93Å; I292-M299 HydrophobicContact CD1-CG 3.47Å; I292-M299 VanDerWaalsContact CD1-CG 3.47Å; I292-M299 HydrophobicContact CD1-SD 4.02Å; I292-M299 HydrophobicContact CG1-CG 4.42Å; I292-L312 HydrophobicContact CD1-CD2 4.27Å; I292-L312 HydrophobicContact CG1-CD2 4.11Å; I292-V339 HydrophobicContact CG2-CB 4.45Å; I292-V339 HydrophobicContact CG2-CG1 3.8Å; I292-V339 HydrophobicContact CG2-CG2 3.71Å
293	L	94.6	Very high	96	Very high	36 Å²	36	32.6 Å²	32.6	19%	0.188	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-38.3	176.8	-84.7	168.7	0	0	0	112.8	P289 Y291 H295 L296 D335 R338 V339	P289-L293 WeakPolarHBondContact O-CB 3.45Å; P289-L293 WeakPolarHBondContact O-CD1 3.31Å; P289-L293 WeakPolarHBondContact O-CG 3.14Å; P289-L293 PolarHBondContact O-N 3.31Å; Y291-L293 VanDerWaalsContact C-N 3.35Å; L293-H295 PolarHBondContact O-N 2.66Å; L293-L296 HydrophobicContact CD2-CD1 3.88Å; L293-D335 HydrophobicContact CD1-CB 3.72Å; L293-R338 HydrophobicContact CD2-CB 4.34Å; L293-R338 HydrophobicContact CD2-CG 4.12Å; L293-V339 HydrophobicContact CD1-CG2 4.42Å; L293-V339 HydrophobicContact CD2-CG2 3.54Å; L293-V339 HydrophobicContact CG-CG2 3.57Å
294	E	93.9	Very high	96	Very high	116 Å²	116	33.5 Å²	33.5	54%	0.542	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19	179.2	-65.3	179.7	-148.6	0	0	113.1	R259 I292	R259-E294 IonicContact CZ-OE1 3.49Å; R259-E294 IonicContact CZ-OE2 3.98Å; R259-E294 IonicContact NH1-OE1 3.72Å; R259-E294 PolarHBondContact NH1-OE1 3.34Å; R259-E294 IonicContact NH1-OE2 3.59Å; R259-E294 PolarHBondContact NH1-OE2 3.29Å; R259-E294 VanDerWaalsContact NH1-OE2 3.17Å; R259-E294 IonicContact NH2-OE1 2.68Å; R259-E294 PolarHBondContact NH2-OE1 3.49Å; R259-E294 IonicContact NH2-OE2 3.8Å; R259-E294 PolarHBondContact NH2-OE2 3.44Å; I292-E294 PolarHBondContact O-N 2.82Å
295	H	95.6	Very high	96	Very high	40 Å²	40	35.3 Å²	35.3	19%	0.185	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	16.5	-171.1	-57.7	-58.3	0	0	0	114	P266 Y291 I292 L293 E297 E298 M299	P266-H295 HydrophobicContact CG-CB 3.71Å; Y291-H295 PolarHBondContact O-CD2 3.23Å; I292-H295 CarbonylContact O-C 3.56Å; I292-H295 PolarHBondContact O-N 3.48Å; L293-H295 PolarHBondContact O-N 2.66Å; H295-E297 VanDerWaalsContact C-N 3.32Å; H295-E297 PolarHBondContact O-N 3.17Å; H295-E298 PolarHBondContact O-N 3.01Å; H295-M299 HydrophobicContact CB-CG 3.98Å; H295-M299 WeakPolarHBondContact O-CB 3.47Å; H295-M299 WeakPolarHBondContact O-CG 3.32Å; H295-M299 PolarHBondContact O-N 2.95Å
296	L	95.6	Very high	96.1	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.058	20%	0.196	C	C	.	.	H	α-helix	trans	-51.4	-44.6	-171.4	-81.1	179.2	0	0	0	114.6	I292 L293 M299 A300 V339 F342 L343	I292-L296 HydrophobicContact CG1-CD2 4.44Å; I292-L296 PolarHBondContact O-N 3.42Å; I292-L296 VanDerWaalsContact O-N 3.13Å; L293-L296 HydrophobicContact CD2-CD1 3.88Å; L296-M299 PolarHBondContact O-N 3.03Å; L296-A300 WeakPolarHBondContact O-CB 3.43Å; L296-A300 PolarHBondContact O-N 3.18Å; L296-V339 HydrophobicContact CD2-CB 4.37Å; L296-V339 HydrophobicContact CD2-CG1 4.1Å; L296-V339 HydrophobicContact CD2-CG2 4.24Å; L296-F342 HydrophobicContact CB-CD1 3.81Å; L296-F342 HydrophobicContact CB-CE1 3.79Å; L296-F342 HydrophobicContact CB-CG 4.41Å; L296-F342 HydrophobicContact CB-CZ 4.36Å; L296-F342 HydrophobicContact CD1-CB 4.15Å; L296-F342 HydrophobicContact CD1-CD1 4.2Å; L296-F342 HydrophobicContact CD1-CG 4.07Å; L296-F342 HydrophobicContact CD2-CD1 4.26Å; L296-F342 HydrophobicContact CG-CD1 4.32Å; L296-F342 WeakPolarHBondContact O-CE1 3.23Å; L296-L343 HydrophobicContact CD2-CG 4.41Å
297	E	97.3	Very high	96.2	Very high	134 Å²	134	40.3 Å²	40.3	63%	0.626	20%	0.198	S	C	*	.	H	α-helix	trans	-63.7	-48	-178.5	-71.4	-177.7	-171.6	0	0	112.2	H295 M299 A300 K301 F342	H295-E297 VanDerWaalsContact C-N 3.32Å; H295-E297 PolarHBondContact O-N 3.17Å; E297-M299 VanDerWaalsContact C-N 3.34Å; E297-A300 PolarHBondContact O-N 3.3Å; E297-K301 WeakPolarHBondContact O-CG 3.47Å; E297-K301 PolarHBondContact O-N 2.74Å; E297-K301 VanDerWaalsContact O-N 3.17Å; E297-F342 HydrophobicContact CG-CZ 3.83Å
298	E	97.8	Very high	96.4	Very high	63 Å²	63	40.4 Å²	40.4	29%	0.294	20%	0.198	S	C	.	.	H	α-helix	trans	-66.2	-39.9	177.9	-70.9	-54.4	115.9	0	0	111.3	P266 W270 H295 A300 K301 I302	P266-E298 HydrophobicContact CB-CB 4.03Å; P266-E298 HydrophobicContact CG-CB 4.17Å; W270-E298 PolarHBondContact NE1-OE2 2.9Å; H295-E298 PolarHBondContact O-N 3.01Å; E298-A300 VanDerWaalsContact C-N 3.32Å; E298-A300 PolarHBondContact O-N 2.72Å; E298-K301 WeakPolarHBondContact O-CB 3.49Å; E298-K301 PolarHBondContact O-N 2.65Å; E298-K301 VanDerWaalsContact O-N 3.13Å; E298-K301 WeakPolarHBondContact OE1-CE 3.43Å; E298-K301 IonicContact OE1-NZ 3.8Å; E298-K301 PolarHBondContact OE1-NZ 2.97Å; E298-I302 WeakPolarHBondContact O-CD1 3.36Å; E298-I302 VanDerWaalsContact O-CG1 3.31Å; E298-I302 WeakPolarHBondContact O-CG1 3.2Å; E298-I302 PolarHBondContact O-N 3.49Å
299	M	97.8	Very high	96.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-38.1	177.3	-68.2	-62.3	-43.3	0	0	112	L265 P266 L269 L284 I292 H295 L296 E297 K301 I302 L303	L265-M299 HydrophobicContact CD2-CE 4.42Å; L265-M299 HydrophobicContact CD2-SD 4.17Å; P266-M299 HydrophobicContact CG-SD 4.29Å; L269-M299 HydrophobicContact CD1-CE 3.71Å; L269-M299 HydrophobicContact CD1-SD 3.79Å; L284-M299 HydrophobicContact CD2-CE 3.44Å; L284-M299 VanDerWaalsContact CD2-CE 3.44Å; I292-M299 HydrophobicContact CD1-CB 4.08Å; I292-M299 HydrophobicContact CD1-CE 3.93Å; I292-M299 HydrophobicContact CD1-CG 3.47Å; I292-M299 VanDerWaalsContact CD1-CG 3.47Å; I292-M299 HydrophobicContact CD1-SD 4.02Å; I292-M299 HydrophobicContact CG1-CG 4.42Å; H295-M299 HydrophobicContact CB-CG 3.98Å; H295-M299 WeakPolarHBondContact O-CB 3.47Å; H295-M299 WeakPolarHBondContact O-CG 3.32Å; H295-M299 PolarHBondContact O-N 2.95Å; L296-M299 PolarHBondContact O-N 3.03Å; E297-M299 VanDerWaalsContact C-N 3.34Å; M299-K301 PolarHBondContact O-N 3.37Å; M299-I302 PolarHBondContact O-N 2.93Å; M299-I302 HydrophobicContact SD-CD1 4.14Å; M299-L303 WeakPolarHBondContact O-CB 3.44Å; M299-L303 VanDerWaalsContact O-CG 3.23Å; M299-L303 WeakPolarHBondContact O-CG 3.28Å; M299-L303 PolarHBondContact O-N 3.32Å
300	A	98.2	Very high	96.7	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-39.9	172.7	0	0	0	0	0	112.2	L296 E297 E298 N304 F342 L343 K346 V347	L296-A300 WeakPolarHBondContact O-CB 3.43Å; L296-A300 PolarHBondContact O-N 3.18Å; E297-A300 PolarHBondContact O-N 3.3Å; E298-A300 VanDerWaalsContact C-N 3.32Å; E298-A300 PolarHBondContact O-N 2.72Å; A300-N304 PolarHBondContact O-N 3.4Å; A300-N304 VanDerWaalsContact O-N 3.13Å; A300-N304 PolarHBondContact O-ND2 3.48Å; A300-F342 HydrophobicContact CB-CE1 4.05Å; A300-L343 HydrophobicContact CB-CD2 4.37Å; A300-K346 HydrophobicContact CB-CB 3.73Å; A300-V347 HydrophobicContact CB-CG2 3.74Å
301	K	98.4	Very high	96.9	Very high	110 Å²	110	39.9 Å²	39.9	48%	0.478	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-45.1	174.3	-65.6	171.1	-170.2	168.2	0	111.4	W270 E297 E298 M299 N304 H305	W270-K301 HydrophobicContact CZ2-CB 4Å; E297-K301 WeakPolarHBondContact O-CG 3.47Å; E297-K301 PolarHBondContact O-N 2.74Å; E297-K301 VanDerWaalsContact O-N 3.17Å; E298-K301 WeakPolarHBondContact O-CB 3.49Å; E298-K301 PolarHBondContact O-N 2.65Å; E298-K301 VanDerWaalsContact O-N 3.13Å; E298-K301 WeakPolarHBondContact OE1-CE 3.43Å; E298-K301 IonicContact OE1-NZ 3.8Å; E298-K301 PolarHBondContact OE1-NZ 2.97Å; M299-K301 PolarHBondContact O-N 3.37Å; K301-N304 PolarHBondContact O-N 2.94Å; K301-H305 PolarHBondContact O-N 2.86Å
302	I	98.1	Very high	97.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-45.8	179.5	-68.6	160	0	0	0	111.1	P266 L269 W270 E298 M299 N304 H305 V308	P266-I302 HydrophobicContact CB-CD1 4.03Å; L269-I302 HydrophobicContact CB-CD1 3.88Å; L269-I302 HydrophobicContact CB-CG1 4.49Å; L269-I302 HydrophobicContact CB-CG2 4.09Å; L269-I302 HydrophobicContact CD1-CD1 4.02Å; L269-I302 HydrophobicContact CD1-CG2 4.03Å; W270-I302 HydrophobicContact CD2-CG1 4.13Å; W270-I302 HydrophobicContact CH2-CG1 4.4Å; W270-I302 HydrophobicContact CZ2-CG1 3.77Å; E298-I302 WeakPolarHBondContact O-CD1 3.36Å; E298-I302 VanDerWaalsContact O-CG1 3.31Å; E298-I302 WeakPolarHBondContact O-CG1 3.2Å; E298-I302 PolarHBondContact O-N 3.49Å; M299-I302 PolarHBondContact O-N 2.93Å; M299-I302 HydrophobicContact SD-CD1 4.14Å; I302-N304 VanDerWaalsContact C-N 3.27Å; I302-N304 PolarHBondContact O-N 3.46Å; I302-H305 WeakPolarHBondContact O-CB 3.41Å; I302-H305 PolarHBondContact O-N 2.7Å; I302-V308 HydrophobicContact CG2-CG1 4.23Å; I302-V308 HydrophobicContact CG2-CG2 4.19Å; I302-V308 WeakPolarHBondContact O-CB 3.16Å
303	L	98.2	Very high	97.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-29	179.4	-69.3	170.6	0	0	0	112.7	M299 H305 V308 Y309 L343 V347 K451	M299-L303 WeakPolarHBondContact O-CB 3.44Å; M299-L303 VanDerWaalsContact O-CG 3.23Å; M299-L303 WeakPolarHBondContact O-CG 3.28Å; M299-L303 PolarHBondContact O-N 3.32Å; L303-H305 VanDerWaalsContact C-N 3.28Å; L303-H305 PolarHBondContact O-N 2.95Å; L303-V308 HydrophobicContact CD2-CG1 4.43Å; L303-Y309 VanDerWaalsContact CD2-O 3.27Å; L303-Y309 WeakPolarHBondContact CD2-O 3.43Å; L303-L343 HydrophobicContact CD1-CD2 3.97Å; L303-V347 HydrophobicContact CB-CG1 3.95Å; L303-V347 HydrophobicContact CB-CG2 4.11Å; L303-V347 HydrophobicContact CD1-CG2 4.5Å; L303-K451 PolarHBondContact O-NZ 3.03Å
304	N	98.1	Very high	97.4	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	19%	0.188	S	C	.	.	H	α-helix	trans	-72.4	-19.5	171.8	-82	-58.6	0	0	0	113.2	A300 K301 I302 K346	A300-N304 PolarHBondContact O-N 3.4Å; A300-N304 VanDerWaalsContact O-N 3.13Å; A300-N304 PolarHBondContact O-ND2 3.48Å; K301-N304 PolarHBondContact O-N 2.94Å; I302-N304 VanDerWaalsContact C-N 3.27Å; I302-N304 PolarHBondContact O-N 3.46Å; N304-K346 PolarHBondContact ND2-O 3.02Å
305	H	98.2	Very high	97.6	Very high	44 Å²	44	33.2 Å²	33.2	20%	0.204	16%	0.162	C	C	.	.	S	Bend	trans	-61	133.3	-178.4	-170	-85.2	0	0	0	111.5	V273 K301 I302 L303 R307 V308 K451	V273-H305 WeakPolarHBondContact CG1-CE1 3.43Å; V273-H305 WeakPolarHBondContact CG1-ND1 3.19Å; V273-H305 WeakPolarHBondContact CG1-NE2 3.42Å; K301-H305 PolarHBondContact O-N 2.86Å; I302-H305 WeakPolarHBondContact O-CB 3.41Å; I302-H305 PolarHBondContact O-N 2.7Å; L303-H305 VanDerWaalsContact C-N 3.28Å; L303-H305 PolarHBondContact O-N 2.95Å; H305-R307 PolarHBondContact ND1-N 3.28Å; H305-R307 VanDerWaalsContact ND1-N 3.2Å; H305-R307 PolarHBondContact O-N 2.88Å; H305-V308 HydrophobicContact CB-CG2 4.09Å; H305-V308 PolarHBondContact O-N 3.43Å; H305-K451 PolarHBondContact O-NZ 3.44Å
306	P	96.5	Very high	97.7	Very high	96 Å²	96	31.3 Å²	31.3	62%	0.623	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	-172.5	20.7	-34	0	0	0	114.5
307	R	97.3	Very high	97.7	Very high	73 Å²	73	31.5 Å²	31.5	28%	0.275	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.2	-179.1	-55.7	-177.2	-175.5	160.4	-5.8	115.1	V273 I276 M281 L282 H305	V273-R307 PolarHBondContact O-NH1 3.17Å; I276-R307 HydrophobicContact CB-CB 4.21Å; I276-R307 HydrophobicContact CD1-CB 4.4Å; I276-R307 HydrophobicContact CG2-CB 3.94Å; I276-R307 HydrophobicContact CG2-CG 4.36Å; I276-R307 WeakPolarHBondContact O-CD 3.16Å; I276-R307 PolarHBondContact O-NE 3.03Å; I276-R307 PolarHBondContact O-NH1 3.26Å; M281-R307 CarbonylContact C-O 3.59Å; L282-R307 PolarHBondContact N-O 3.2Å; H305-R307 PolarHBondContact ND1-N 3.28Å; H305-R307 VanDerWaalsContact ND1-N 3.2Å; H305-R307 PolarHBondContact O-N 2.88Å
308	V	98.4	Very high	97.7	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-121.6	137.7	179.8	-176	0	0	0	0	108.1	V273 L282 I302 L303 H305 A310 K451	V273-V308 HydrophobicContact CG2-CG2 3.51Å; L282-V308 HydrophobicContact CB-CG1 4.47Å; L282-V308 HydrophobicContact CB-CG2 4.24Å; L282-V308 HydrophobicContact CD2-CG2 4.34Å; I302-V308 HydrophobicContact CG2-CG1 4.23Å; I302-V308 HydrophobicContact CG2-CG2 4.19Å; I302-V308 WeakPolarHBondContact O-CB 3.16Å; L303-V308 HydrophobicContact CD2-CG1 4.43Å; H305-V308 HydrophobicContact CB-CG2 4.09Å; H305-V308 PolarHBondContact O-N 3.43Å; V308-A310 PolarHBondContact O-N 2.66Å; V308-K451 WeakPolarHBondContact O-CE 3.46Å; V308-K451 PolarHBondContact O-NZ 3.44Å
309	Y	98.6	Very high	97.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.008	11%	0.112	C	C	.	.			trans	-66.9	134.5	172.1	-70	-68.1	0	0	0	110.5	E246 M281 L282 R283 L303 F311 H449 N450 K451 Y453	E246-Y309 HydrophobicContact CG-CE2 4.14Å; E246-Y309 VanDerWaalsContact OE1-CE2 3.23Å; E246-Y309 WeakPolarHBondContact OE1-CE2 3.42Å; E246-Y309 PolarHBondContact OE1-OH 3.12Å; M281-Y309 HydrophobicContact CB-CD2 4.01Å; M281-Y309 HydrophobicContact CB-CE1 4.04Å; M281-Y309 HydrophobicContact CB-CE2 3.36Å; M281-Y309 HydrophobicContact CE-CD1 3.35Å; M281-Y309 HydrophobicContact CE-CD2 4.34Å; M281-Y309 HydrophobicContact CE-CE1 3.49Å; M281-Y309 VanDerWaalsContact CE-CE1 3.49Å; M281-Y309 HydrophobicContact CE-CE2 4.47Å; M281-Y309 HydrophobicContact CE-CG 3.82Å; M281-Y309 HydrophobicContact CG-CE1 3.92Å; M281-Y309 HydrophobicContact CG-CE2 4.16Å; L282-Y309 WeakPolarHBondContact O-CD2 3.38Å; L282-Y309 PolarHBondContact O-N 3.01Å; R283-Y309 HydrophobicContact CB-CD2 3.8Å; R283-Y309 HydrophobicContact CB-CE2 4.24Å; R283-Y309 HydrophobicContact CG-CD2 4.36Å; L303-Y309 VanDerWaalsContact CD2-O 3.27Å; L303-Y309 WeakPolarHBondContact CD2-O 3.43Å; Y309-F311 PolarHBondContact O-N 3.28Å; Y309-H449 HydrophobicContact CE1-CB 4.17Å; Y309-N450 VanDerWaalsContact CD1-O 3.22Å; Y309-N450 WeakPolarHBondContact CD1-O 2.99Å; Y309-N450 WeakPolarHBondContact CE1-O 3.04Å; Y309-K451 CarbonylContact C-O 3.51Å; Y309-K451 WeakPolarHBondContact CA-O 3.42Å; Y309-Y453 AromaticContact CD1-CD2 3.87Å; Y309-Y453 HydrophobicContact CD1-CD2 3.87Å; Y309-Y453 AromaticContact CD2-CD2 3.59Å; Y309-Y453 HydrophobicContact CD2-CD2 3.59Å; Y309-Y453 HydrophobicContact CD2-CE2 4.13Å; Y309-Y453 HydrophobicContact CD2-CG 4.48Å; Y309-Y453 AromaticContact CE1-CD2 3.86Å; Y309-Y453 HydrophobicContact CE1-CD2 3.86Å; Y309-Y453 AromaticContact CE2-CD2 3.54Å; Y309-Y453 HydrophobicContact CE2-CD2 3.54Å; Y309-Y453 AromaticContact CE2-CE2 3.75Å; Y309-Y453 HydrophobicContact CE2-CE2 3.75Å; Y309-Y453 AromaticContact CG-CD2 3.74Å; Y309-Y453 HydrophobicContact CG-CD2 3.74Å; Y309-Y453 HydrophobicContact CG-CG 4.34Å; Y309-Y453 AromaticContact CZ-CD2 3.68Å
310	A	98.4	Very high	97.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	11%	0.114	C	C	.	.	S	Bend	trans	-77.1	61.5	167.6	0	0	0	0	0	109.5	V308 V347 V350 T351 K451 F452	V308-A310 PolarHBondContact O-N 2.66Å; A310-V347 HydrophobicContact CB-CG1 3.93Å; A310-V350 WeakPolarHBondContact O-CA 3.24Å; A310-T351 PolarHBondContact O-N 3.29Å; A310-K451 HydrophobicContact CB-CG 4.47Å; A310-K451 PolarHBondContact N-O 3.49Å; A310-F452 HydrophobicContact CB-CD1 3.7Å; A310-F452 HydrophobicContact CB-CE1 4.04Å
311	F	98	Very high	97.8	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.048	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.7	-178.4	169.1	-90.2	0	0	0	108.6	Y309 H313 T351 A353 Y453	Y309-F311 PolarHBondContact O-N 3.28Å; F311-H313 HydrophobicContact CE1-CB 4.16Å; F311-H313 HydrophobicContact CZ-CB 4.2Å; F311-T351 WeakPolarHBondContact CA-O 3.48Å; F311-T351 HydrophobicContact CD2-CG2 3.67Å; F311-T351 HydrophobicContact CE2-CG2 4.05Å; F311-A353 HydrophobicContact CE2-CB 3.75Å; F311-A353 HydrophobicContact CZ-CB 3.73Å; F311-Y453 HydrophobicContact CB-CG 4.42Å; F311-Y453 HydrophobicContact CD1-CD1 4.35Å; F311-Y453 HydrophobicContact CD2-CD1 4.23Å; F311-Y453 HydrophobicContact CE2-CD1 4.39Å; F311-Y453 HydrophobicContact CG-CD1 4.22Å; F311-Y453 HydrophobicContact CG-CG 4.26Å
312	L	97.1	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.8	172.6	-165.5	64	0	0	0	111.2	L284 T287 I292 V314 L343 T351 I352 A353	L284-L312 HydrophobicContact CD2-CD1 3.65Å; L284-L312 HydrophobicContact CG-CD1 4.13Å; T287-L312 HydrophobicContact CG2-CD1 3.79Å; T287-L312 HydrophobicContact CG2-CD2 3.87Å; T287-L312 HydrophobicContact CG2-CG 3.91Å; I292-L312 HydrophobicContact CD1-CD2 4.27Å; I292-L312 HydrophobicContact CG1-CD2 4.11Å; L312-V314 HydrophobicContact CB-CG2 4.39Å; L312-V314 HydrophobicContact CD2-CG2 3.64Å; L312-V314 HydrophobicContact CG-CG2 3.72Å; L312-L343 HydrophobicContact CD2-CD1 3.64Å; L312-T351 PolarHBondContact N-O 2.99Å; L312-I352 HydrophobicContact CB-CD1 4.07Å; L312-I352 WeakPolarHBondContact O-CA 3.38Å; L312-A353 PolarHBondContact O-N 2.86Å
313	H	97.7	Very high	97.7	Very high	26 Å²	26	23.9 Å²	23.9	12%	0.12	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.2	174.2	-177.3	-175.1	0	0	0	109.7	M286 T287 F311 A353 D355 F384	M286-H313 WeakPolarHBondContact CA-O 3.27Å; M286-H313 HydrophobicContact CB-CB 4.31Å; T287-H313 PolarHBondContact N-O 3.48Å; F311-H313 HydrophobicContact CE1-CB 4.16Å; F311-H313 HydrophobicContact CZ-CB 4.2Å; H313-A353 CarbonylContact C-O 3.51Å; H313-A353 WeakPolarHBondContact CA-O 3.45Å; H313-A353 HydrophobicContact CB-CB 4.19Å; H313-A353 PolarHBondContact CD2-O 2.89Å; H313-D355 IonicContact CD2-OD2 2.58Å; H313-D355 IonicContact CE1-OD2 3.02Å; H313-D355 PolarHBondContact CE1-OD2 3.33Å; H313-D355 IonicContact NE2-OD2 3.45Å; H313-D355 PolarHBondContact NE2-OD2 3.15Å; H313-F384 AromaticContact CE1-CD2 3.85Å; H313-F384 AromaticContact CE1-CE2 3.73Å; H313-F384 AromaticContact NE2-CD2 3.79Å; H313-F384 AromaticContact NE2-CE2 3.96Å
314	V	97.3	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.			trans	-119	102.4	-179	-171.8	0	0	0	0	109.1	T287 P289 L312 V316 F336 V339 A353 T354	T287-V314 HydrophobicContact CG2-CG2 4.19Å; P289-V314 HydrophobicContact CG-CG1 3.88Å; L312-V314 HydrophobicContact CB-CG2 4.39Å; L312-V314 HydrophobicContact CD2-CG2 3.64Å; L312-V314 HydrophobicContact CG-CG2 3.72Å; V314-V316 PolarHBondContact O-N 3.35Å; V314-F336 HydrophobicContact CB-CE2 4.26Å; V314-F336 HydrophobicContact CG1-CD2 3.96Å; V314-F336 HydrophobicContact CG1-CE2 3.97Å; V314-V339 HydrophobicContact CG1-CG1 4.37Å; V314-V339 HydrophobicContact CG2-CG1 4.25Å; V314-A353 PolarHBondContact N-O 3.13Å; V314-T354 WeakPolarHBondContact O-CA 3.49Å; V314-T354 WeakPolarHBondContact O-CB 3.47Å; V314-T354 PolarHBondContact O-OG1 2.96Å
315	P	96.3	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.			trans	-77.1	118.4	-175.7	30.8	-32.7	0	0	0	111.5	M286 T287 N288 Q317 Y331 D355	M286-P315 HydrophobicContact CG-CG 3.89Å; M286-P315 HydrophobicContact SD-CB 4.39Å; M286-P315 HydrophobicContact SD-CG 3.8Å; T287-P315 WeakPolarHBondContact O-CD 3.1Å; N288-P315 WeakPolarHBondContact OD1-CG 3.45Å; P315-Q317 HydrophobicContact CB-CG 4.46Å; P315-Y331 PolarHBondContact O-OH 2.76Å; P315-Y331 VanDerWaalsContact O-OH 3.14Å; P315-D355 HydrophobicContact CB-CB 4.13Å; P315-D355 WeakPolarHBondContact CB-OD2 3.43Å
316	V	97.5	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.			trans	-81.7	-36.1	175.4	71.2	0	0	0	0	111.5	V314 S318 L324 Y331 I333 F336 T354 I356 L374	V314-V316 PolarHBondContact O-N 3.35Å; V316-S318 PolarHBondContact O-N 2.85Å; V316-L324 VanDerWaalsContact O-CD2 3.29Å; V316-L324 WeakPolarHBondContact O-CD2 3.24Å; V316-Y331 PolarHBondContact O-OH 2.65Å; V316-Y331 VanDerWaalsContact O-OH 3.05Å; V316-I333 HydrophobicContact CG2-CD1 3.85Å; V316-F336 HydrophobicContact CB-CD1 4.23Å; V316-F336 HydrophobicContact CB-CD2 3.77Å; V316-F336 HydrophobicContact CB-CE1 4.15Å; V316-F336 HydrophobicContact CB-CE2 3.7Å; V316-F336 HydrophobicContact CB-CG 4.04Å; V316-F336 HydrophobicContact CB-CZ 3.88Å; V316-F336 HydrophobicContact CG2-CB 4.16Å; V316-F336 HydrophobicContact CG2-CD1 3.73Å; V316-F336 HydrophobicContact CG2-CD2 3.89Å; V316-F336 HydrophobicContact CG2-CE1 4.06Å; V316-F336 HydrophobicContact CG2-CE2 4.22Å; V316-F336 HydrophobicContact CG2-CG 3.63Å; V316-F336 HydrophobicContact CG2-CZ 4.29Å; V316-T354 HydrophobicContact CG1-CG2 4.35Å; V316-T354 PolarHBondContact N-OG1 2.88Å; V316-I356 HydrophobicContact CG1-CD1 4.46Å; V316-I356 HydrophobicContact CG1-CG1 3.88Å; V316-L374 HydrophobicContact CG1-CD2 4.16Å; V316-L374 HydrophobicContact CG2-CD2 3.96Å
317	Q	96.9	Very high	97.6	Very high	15 Å²	15	23.4 Å²	23.4	7%	0.07	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	68.4	-48.9	-176.5	-49.6	-67.7	-8.6	0	0	115.1	Y214 P315 M327 D355 I356 I357	Y214-Q317 VanDerWaalsContact OH-CD 3.31Å; Y214-Q317 WeakPolarHBondContact OH-CG 3.42Å; P315-Q317 HydrophobicContact CB-CG 4.46Å; Q317-M327 HydrophobicContact CB-CE 4.31Å; Q317-M327 HydrophobicContact CB-SD 3.72Å; Q317-D355 VanDerWaalsContact CA-O 3.26Å; Q317-D355 WeakPolarHBondContact CA-O 3.15Å; Q317-D355 PolarHBondContact N-O 2.9Å; Q317-I356 WeakPolarHBondContact O-CA 3.49Å; Q317-I357 PolarHBondContact O-N 2.84Å; Q317-I357 VanDerWaalsContact OE1-CG1 3.25Å
318	S	97.9	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.			trans	-151.9	150.7	174.3	-178	0	0	0	0	109.4	V316 S320 L324	V316-S318 PolarHBondContact O-N 2.85Å; S318-S320 PolarHBondContact OG-N 2.8Å; S318-L324 WeakPolarHBondContact O-CD2 3.27Å
319	A	97.7	Very high	97.5	Very high	5 Å²	5	26.9 Å²	26.9	4%	0.041	14%	0.138	C	C	.	.	S	Bend	trans	-92.8	6	173.8	0	0	0	0	0	114	I333 T371 L374	A319-I333 HydrophobicContact CB-CD1 3.97Å; A319-I333 HydrophobicContact CB-CG1 4.32Å; A319-T371 VanDerWaalsContact CB-CA 3.5Å; A319-T371 PolarHBondContact N-OG1 3.38Å; A319-T371 VanDerWaalsContact N-OG1 3.12Å; A319-L374 HydrophobicContact CB-CB 3.96Å; A319-L374 HydrophobicContact CB-CD2 3.92Å; A319-L374 HydrophobicContact CB-CG 4.45Å
320	S	98.1	Very high	97.3	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.049	17%	0.166	C	C	.	.			trans	-101.5	124.1	175.3	166.4	0	0	0	0	111	S318 S322 V323 L324 D367	S318-S320 PolarHBondContact OG-N 2.8Å; S320-S322 PolarHBondContact O-N 3.44Å; S320-S322 PolarHBondContact OG-N 3.07Å; S320-V323 PolarHBondContact O-N 2.87Å; S320-V323 PolarHBondContact OG-N 3.05Å; S320-L324 VanDerWaalsContact O-CG 3.28Å; S320-L324 WeakPolarHBondContact O-CG 3.45Å; S320-L324 PolarHBondContact O-N 3.08Å; S320-D367 WeakPolarHBondContact CB-OD1 3.49Å; S320-D367 VanDerWaalsContact OG-CG 3.31Å; S320-D367 PolarHBondContact OG-OD1 3.47Å
321	D	98.2	Very high	97.2	Very high	69 Å²	69	33.4 Å²	33.4	37%	0.369	17%	0.168	S	C	.	.	H	α-helix	trans	-62.9	-31.8	176.9	-70.7	-20.2	0	0	0	112.5	L324 M325 C332 I333	D321-L324 PolarHBondContact O-N 2.92Å; D321-M325 VanDerWaalsContact O-CB 3.29Å; D321-M325 WeakPolarHBondContact O-CB 3.36Å; D321-M325 PolarHBondContact O-N 2.96Å; D321-C332 WeakPolarHBondContact OD1-CA 3.13Å; D321-C332 VanDerWaalsContact OD1-CB 3.32Å; D321-C332 WeakPolarHBondContact OD1-CB 3.3Å; D321-I333 WeakPolarHBondContact OD1-CG2 3.39Å; D321-I333 PolarHBondContact OD1-N 3.28Å
322	S	97.3	Very high	97.2	Very high	72 Å²	72	34.7 Å²	34.7	50%	0.503	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-49.2	174	-172.6	0	0	0	0	110.5	S320 M325 D326	S320-S322 PolarHBondContact O-N 3.44Å; S320-S322 PolarHBondContact OG-N 3.07Å; S322-M325 PolarHBondContact O-N 3.01Å; S322-D326 PolarHBondContact O-N 2.88Å
323	V	97.9	Very high	97.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-40.5	177.6	176.5	0	0	0	0	111.4	S320 M325 D326 M327 F360 E363 D367	S320-V323 PolarHBondContact O-N 2.87Å; S320-V323 PolarHBondContact OG-N 3.05Å; V323-M325 VanDerWaalsContact C-N 3.33Å; V323-M325 PolarHBondContact O-N 3.27Å; V323-D326 PolarHBondContact O-N 3.28Å; V323-M327 HydrophobicContact CG1-CE 3.73Å; V323-M327 HydrophobicContact CG1-CG 4.46Å; V323-M327 HydrophobicContact CG1-SD 4.44Å; V323-M327 WeakPolarHBondContact O-CB 3.46Å; V323-M327 VanDerWaalsContact O-CG 3.27Å; V323-M327 WeakPolarHBondContact O-CG 3.31Å; V323-M327 PolarHBondContact O-N 2.72Å; V323-F360 HydrophobicContact CG1-CB 3.97Å; V323-F360 HydrophobicContact CG1-CD1 3.88Å; V323-F360 HydrophobicContact CG1-CG 4.12Å; V323-E363 HydrophobicContact CG2-CB 4.15Å; V323-E363 HydrophobicContact CG2-CG 4.19Å; V323-D367 HydrophobicContact CG2-CB 3.91Å
324	L	97.9	Very high	97.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-40.4	176.1	-70.8	175.3	0	0	0	111.9	V316 S318 S320 D321 M327 K328 R329 Y331	V316-L324 VanDerWaalsContact O-CD2 3.29Å; V316-L324 WeakPolarHBondContact O-CD2 3.24Å; S318-L324 WeakPolarHBondContact O-CD2 3.27Å; S320-L324 VanDerWaalsContact O-CG 3.28Å; S320-L324 WeakPolarHBondContact O-CG 3.45Å; S320-L324 PolarHBondContact O-N 3.08Å; D321-L324 PolarHBondContact O-N 2.92Å; L324-M327 CarbonylContact O-C 3.52Å; L324-M327 WeakPolarHBondContact O-CB 3.36Å; L324-M327 PolarHBondContact O-N 3.27Å; L324-K328 PolarHBondContact O-N 2.9Å; L324-R329 HydrophobicContact CB-CB 4.19Å; L324-R329 HydrophobicContact CB-CG 4.5Å; L324-R329 HydrophobicContact CD2-CB 4.25Å; L324-R329 HydrophobicContact CD2-CG 3.86Å; L324-R329 WeakPolarHBondContact O-CB 3.41Å; L324-R329 PolarHBondContact O-N 3Å; L324-Y331 HydrophobicContact CD1-CD2 4.33Å; L324-Y331 HydrophobicContact CD1-CE2 4.15Å; L324-Y331 HydrophobicContact CD2-CE2 3.9Å
325	M	97.2	Very high	97.3	Very high	141 Å²	141	40.9 Å²	40.9	70%	0.695	21%	0.212	S	C	*	.	H	α-helix	trans	-63.9	-45.2	175.5	-170.9	179.4	-61.1	0	0	111.5	D321 S322 V323 M327 K328	D321-M325 VanDerWaalsContact O-CB 3.29Å; D321-M325 WeakPolarHBondContact O-CB 3.36Å; D321-M325 PolarHBondContact O-N 2.96Å; S322-M325 PolarHBondContact O-N 3.01Å; V323-M325 VanDerWaalsContact C-N 3.33Å; V323-M325 PolarHBondContact O-N 3.27Å; M325-M327 VanDerWaalsContact C-N 3.27Å; M325-M327 PolarHBondContact O-N 3.5Å; M325-K328 WeakPolarHBondContact O-CA 3.32Å; M325-K328 PolarHBondContact O-N 3.29Å
326	D	97.6	Very high	97.4	Very high	64 Å²	64	40.9 Å²	40.9	34%	0.342	21%	0.212	S	C	.	.	H	α-helix	trans	-65.6	-31	175.4	-77.6	-19	0	0	0	112.8	T213 S322 V323 K328 F360 M399	T213-D326 WeakPolarHBondContact CG2-O 3.48Å; T213-D326 PolarHBondContact OG1-O 3.45Å; S322-D326 PolarHBondContact O-N 2.88Å; V323-D326 PolarHBondContact O-N 3.28Å; D326-K328 PolarHBondContact O-N 3.03Å; D326-F360 HydrophobicContact CB-CE1 3.76Å; D326-M399 HydrophobicContact CB-CE 4.07Å
327	M	97.3	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13	169.2	-78.5	-173.2	-174.2	0	0	113	C212 T213 Y214 Q317 V323 L324 M325 R329 I357 F360	C212-M327 CarbonylContact C-O 3.52Å; C212-M327 VanDerWaalsContact CA-O 3.24Å; C212-M327 WeakPolarHBondContact CA-O 3.2Å; T213-M327 PolarHBondContact N-O 3.31Å; T213-M327 VanDerWaalsContact OG1-CA 3.32Å; T213-M327 WeakPolarHBondContact OG1-CA 3.41Å; T213-M327 PolarHBondContact OG1-O 3.32Å; Y214-M327 HydrophobicContact CD1-CB 4.36Å; Y214-M327 HydrophobicContact CD1-CG 4.05Å; Y214-M327 HydrophobicContact CE1-CB 3.87Å; Y214-M327 HydrophobicContact CE1-CG 3.67Å; Y214-M327 HydrophobicContact CE1-SD 3.74Å; Q317-M327 HydrophobicContact CB-CE 4.31Å; Q317-M327 HydrophobicContact CB-SD 3.72Å; V323-M327 HydrophobicContact CG1-CE 3.73Å; V323-M327 HydrophobicContact CG1-CG 4.46Å; V323-M327 HydrophobicContact CG1-SD 4.44Å; V323-M327 WeakPolarHBondContact O-CB 3.46Å; V323-M327 VanDerWaalsContact O-CG 3.27Å; V323-M327 WeakPolarHBondContact O-CG 3.31Å; V323-M327 PolarHBondContact O-N 2.72Å; L324-M327 CarbonylContact O-C 3.52Å; L324-M327 WeakPolarHBondContact O-CB 3.36Å; L324-M327 PolarHBondContact O-N 3.27Å; M325-M327 VanDerWaalsContact C-N 3.27Å; M325-M327 PolarHBondContact O-N 3.5Å; M327-R329 HydrophobicContact CB-CG 3.99Å; M327-I357 HydrophobicContact CE-CB 4.06Å; M327-I357 HydrophobicContact CE-CD1 4.47Å; M327-I357 HydrophobicContact CE-CG2 4.34Å; M327-F360 HydrophobicContact CB-CZ 4.43Å; M327-F360 HydrophobicContact CE-CB 3.61Å; M327-F360 HydrophobicContact CE-CD1 4.3Å; M327-F360 HydrophobicContact CE-CD2 3.5Å; M327-F360 HydrophobicContact CE-CE2 4.31Å; M327-F360 HydrophobicContact CE-CG 3.51Å; M327-F360 HydrophobicContact CG-CD1 4.11Å; M327-F360 HydrophobicContact CG-CD2 3.73Å; M327-F360 HydrophobicContact CG-CE1 3.98Å; M327-F360 HydrophobicContact CG-CE2 3.57Å; M327-F360 HydrophobicContact CG-CG 4.01Å; M327-F360 HydrophobicContact CG-CZ 3.71Å; M327-F360 HydrophobicContact SD-CD2 4.42Å
328	K	96.6	Very high	97.4	Very high	121 Å²	121	52.1 Å²	52.1	53%	0.526	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	50	-166.3	-69.9	-177.1	179.2	-163.5	0	112.3	T213 L324 M325 D326	T213-K328 HydrophobicContact CG2-CB 4.02Å; T213-K328 HydrophobicContact CG2-CD 3.63Å; T213-K328 HydrophobicContact CG2-CG 3.56Å; L324-K328 PolarHBondContact O-N 2.9Å; M325-K328 WeakPolarHBondContact O-CA 3.32Å; M325-K328 PolarHBondContact O-N 3.29Å; D326-K328 PolarHBondContact O-N 3.03Å
329	R	96.3	Very high	97.4	Very high	27 Å²	27	52.1 Å²	52.1	10%	0.102	25%	0.254	C	S	.	.			trans	-83.7	140.2	165.7	-65.4	-51.8	-162.4	152.9	-3	109.6	Y214 N288 L324 M327 Y331	Y214-R329 PolarHBondContact OH-NE 3.44Å; Y214-R329 PolarHBondContact OH-NH2 3.21Å; N288-R329 PolarHBondContact OD1-NH1 2.75Å; L324-R329 HydrophobicContact CB-CB 4.19Å; L324-R329 HydrophobicContact CB-CG 4.5Å; L324-R329 HydrophobicContact CD2-CB 4.25Å; L324-R329 HydrophobicContact CD2-CG 3.86Å; L324-R329 WeakPolarHBondContact O-CB 3.41Å; L324-R329 PolarHBondContact O-N 3Å; M327-R329 HydrophobicContact CB-CG 3.99Å; R329-Y331 HydrophobicContact CB-CD1 3.91Å; R329-Y331 HydrophobicContact CB-CE1 3.67Å; R329-Y331 HydrophobicContact CB-CE2 4.39Å; R329-Y331 HydrophobicContact CB-CG 4.41Å; R329-Y331 HydrophobicContact CG-CE1 3.81Å; R329-Y331 PolarHBondContact NE-OH 2.79Å; R329-Y331 PolarHBondContact O-N 2.78Å
330	E	94.7	Very high	97.5	Very high	127 Å²	127	51.9 Å²	51.9	59%	0.593	25%	0.252	S	S	*	.	S	Bend	trans	-93.2	28.7	179.1	-59.7	-177.3	154.9	0	0	111.4	P290	P290-E330 HydrophobicContact CG-CB 4.14Å
331	Y	96.3	Very high	97.5	Very high	13 Å²	13	55.2 Å²	55.2	5%	0.051	27%	0.269	C	S	.	.			trans	-147.8	155.8	179.7	59.5	-90.9	0	0	0	110.2	P289 P290 P315 V316 L324 R329 D335	P289-Y331 HydrophobicContact CB-CD1 4.13Å; P289-Y331 HydrophobicContact CB-CD2 4.15Å; P289-Y331 HydrophobicContact CB-CG 3.88Å; P289-Y331 HydrophobicContact CG-CD1 4.05Å; P289-Y331 HydrophobicContact CG-CD2 3.88Å; P289-Y331 HydrophobicContact CG-CE1 4.02Å; P289-Y331 HydrophobicContact CG-CE2 3.9Å; P289-Y331 HydrophobicContact CG-CG 3.97Å; P290-Y331 VanDerWaalsContact CD-CD1 3.48Å; P290-Y331 HydrophobicContact CG-CD1 3.68Å; P290-Y331 HydrophobicContact CG-CG 4.3Å; P315-Y331 PolarHBondContact O-OH 2.76Å; P315-Y331 VanDerWaalsContact O-OH 3.14Å; V316-Y331 PolarHBondContact O-OH 2.65Å; V316-Y331 VanDerWaalsContact O-OH 3.05Å; L324-Y331 HydrophobicContact CD1-CD2 4.33Å; L324-Y331 HydrophobicContact CD1-CE2 4.15Å; L324-Y331 HydrophobicContact CD2-CE2 3.9Å; R329-Y331 HydrophobicContact CB-CD1 3.91Å; R329-Y331 HydrophobicContact CB-CE1 3.67Å; R329-Y331 HydrophobicContact CB-CE2 4.39Å; R329-Y331 HydrophobicContact CB-CG 4.41Å; R329-Y331 HydrophobicContact CG-CE1 3.81Å; R329-Y331 PolarHBondContact NE-OH 2.79Å; R329-Y331 PolarHBondContact O-N 2.78Å; Y331-D335 WeakPolarHBondContact CA-OD2 3.38Å
332	C	97.4	Very high	97.5	Very high	38 Å²	38	54.3 Å²	54.3	26%	0.257	26%	0.262	S	S	.	.			trans	-102.3	178.4	169.4	69.2	0	0	0	0	112	D321 D334 D335 F336	D321-C332 WeakPolarHBondContact OD1-CA 3.13Å; D321-C332 VanDerWaalsContact OD1-CB 3.32Å; D321-C332 WeakPolarHBondContact OD1-CB 3.3Å; C332-D334 VanDerWaalsContact C-N 3.27Å; C332-D334 PolarHBondContact O-N 3.1Å; C332-D335 PolarHBondContact N-OD2 2.88Å; C332-D335 WeakPolarHBondContact O-CB 2.89Å; C332-D335 PolarHBondContact O-N 3.47Å; C332-D335 PolarHBondContact SG-OD2 3.28Å; C332-D335 VanDerWaalsContact SG-OD2 3.38Å; C332-F336 PolarHBondContact O-N 2.8Å
333	I	97.9	Very high	97.5	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-33.6	177.2	-170.8	51.8	0	0	0	112.6	V316 A319 D321 D335 F336 R337 L374	V316-I333 HydrophobicContact CG2-CD1 3.85Å; A319-I333 HydrophobicContact CB-CD1 3.97Å; A319-I333 HydrophobicContact CB-CG1 4.32Å; D321-I333 WeakPolarHBondContact OD1-CG2 3.39Å; D321-I333 PolarHBondContact OD1-N 3.28Å; I333-D335 VanDerWaalsContact C-N 3.35Å; I333-F336 HydrophobicContact CD1-CB 4.45Å; I333-F336 HydrophobicContact CD1-CD1 4.12Å; I333-F336 WeakPolarHBondContact O-CB 3.24Å; I333-F336 PolarHBondContact O-N 2.63Å; I333-R337 WeakPolarHBondContact O-CG 3.43Å; I333-R337 PolarHBondContact O-N 2.9Å; I333-L374 HydrophobicContact CD1-CD1 3.87Å; I333-L374 HydrophobicContact CD1-CD2 3.87Å; I333-L374 HydrophobicContact CD1-CG 4.48Å; I333-L374 HydrophobicContact CG1-CD1 4.42Å
334	D	97.9	Very high	97.4	Very high	96 Å²	96	55 Å²	55	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-70.6	-32.7	179.8	-71.4	-19.2	0	0	0	112.2	C332 R337 R338	C332-D334 VanDerWaalsContact C-N 3.27Å; C332-D334 PolarHBondContact O-N 3.1Å; D334-R337 PolarHBondContact O-N 2.92Å; D334-R337 IonicContact OD1-CZ 3.07Å; D334-R337 IonicContact OD1-NH1 2.84Å; D334-R337 PolarHBondContact OD1-NH1 2.92Å; D334-R338 WeakPolarHBondContact O-CB 3.35Å; D334-R338 PolarHBondContact O-N 3.3Å
335	D	97.8	Very high	97.5	Very high	50 Å²	50	59.9 Å²	59.9	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-46.5	170	-73.8	-35.2	0	0	0	111.1	L293 Y331 C332 I333 R338 V339	L293-D335 HydrophobicContact CD1-CB 3.72Å; Y331-D335 WeakPolarHBondContact CA-OD2 3.38Å; C332-D335 PolarHBondContact N-OD2 2.88Å; C332-D335 WeakPolarHBondContact O-CB 2.89Å; C332-D335 PolarHBondContact O-N 3.47Å; C332-D335 PolarHBondContact SG-OD2 3.28Å; C332-D335 VanDerWaalsContact SG-OD2 3.38Å; I333-D335 VanDerWaalsContact C-N 3.35Å; D335-R338 PolarHBondContact O-N 3.42Å; D335-V339 WeakPolarHBondContact O-CG2 3.24Å; D335-V339 PolarHBondContact O-N 3.49Å; D335-V339 VanDerWaalsContact O-N 3.13Å
336	F	98.1	Very high	97.5	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-46.2	175.3	172.1	-94.4	0	0	0	111.8	P289 V314 V316 C332 I333 R338 V339 V340 L374 Y378 F380	P289-F336 HydrophobicContact CG-CD2 4.33Å; V314-F336 HydrophobicContact CB-CE2 4.26Å; V314-F336 HydrophobicContact CG1-CD2 3.96Å; V314-F336 HydrophobicContact CG1-CE2 3.97Å; V316-F336 HydrophobicContact CB-CD1 4.23Å; V316-F336 HydrophobicContact CB-CD2 3.77Å; V316-F336 HydrophobicContact CB-CE1 4.15Å; V316-F336 HydrophobicContact CB-CE2 3.7Å; V316-F336 HydrophobicContact CB-CG 4.04Å; V316-F336 HydrophobicContact CB-CZ 3.88Å; V316-F336 HydrophobicContact CG2-CB 4.16Å; V316-F336 HydrophobicContact CG2-CD1 3.73Å; V316-F336 HydrophobicContact CG2-CD2 3.89Å; V316-F336 HydrophobicContact CG2-CE1 4.06Å; V316-F336 HydrophobicContact CG2-CE2 4.22Å; V316-F336 HydrophobicContact CG2-CG 3.63Å; V316-F336 HydrophobicContact CG2-CZ 4.29Å; C332-F336 PolarHBondContact O-N 2.8Å; I333-F336 HydrophobicContact CD1-CB 4.45Å; I333-F336 HydrophobicContact CD1-CD1 4.12Å; I333-F336 WeakPolarHBondContact O-CB 3.24Å; I333-F336 PolarHBondContact O-N 2.63Å; F336-R338 VanDerWaalsContact C-N 3.31Å; F336-R338 PolarHBondContact O-N 3.37Å; F336-V339 PolarHBondContact O-N 3.45Å; F336-V340 HydrophobicContact CD1-CG2 4.25Å; F336-V340 HydrophobicContact CD2-CG2 4.36Å; F336-V340 HydrophobicContact CE1-CG2 3.72Å; F336-V340 HydrophobicContact CE2-CG2 3.84Å; F336-V340 HydrophobicContact CZ-CG2 3.5Å; F336-V340 VanDerWaalsContact CZ-CG2 3.5Å; F336-V340 WeakPolarHBondContact O-CG2 3.17Å; F336-V340 PolarHBondContact O-N 3.11Å; F336-L374 HydrophobicContact CD1-CD2 4.34Å; F336-L374 HydrophobicContact CE1-CD1 4.44Å; F336-L374 HydrophobicContact CE1-CD2 3.99Å; F336-Y378 HydrophobicContact CE1-CE2 4.33Å; F336-F380 AromaticContact CE1-CZ 3.91Å; F336-F380 HydrophobicContact CE1-CZ 3.91Å; F336-F380 HydrophobicContact CZ-CE1 4.11Å; F336-F380 AromaticContact CZ-CZ 3.75Å; F336-F380 HydrophobicContact CZ-CZ 3.75Å
337	R	98.3	Very high	97.5	Very high	89 Å²	89	55 Å²	55	34%	0.336	25%	0.254	S	S	.	.	H	α-helix	trans	-57.4	-45.5	176.6	-71.2	179.4	177.9	127	3.2	111.1	I333 D334 V339 V340 D341 L374 Y378	I333-R337 WeakPolarHBondContact O-CG 3.43Å; I333-R337 PolarHBondContact O-N 2.9Å; D334-R337 PolarHBondContact O-N 2.92Å; D334-R337 IonicContact OD1-CZ 3.07Å; D334-R337 IonicContact OD1-NH1 2.84Å; D334-R337 PolarHBondContact OD1-NH1 2.92Å; R337-V339 VanDerWaalsContact C-N 3.31Å; R337-V339 PolarHBondContact O-N 2.91Å; R337-V340 PolarHBondContact O-N 3.47Å; R337-V340 VanDerWaalsContact O-N 3.14Å; R337-D341 VanDerWaalsContact O-CB 3.3Å; R337-D341 WeakPolarHBondContact O-CB 3.08Å; R337-D341 PolarHBondContact O-N 3.38Å; R337-L374 HydrophobicContact CG-CD1 4.44Å; R337-Y378 WeakPolarHBondContact CB-OH 3.29Å; R337-Y378 HydrophobicContact CG-CE2 4.25Å; R337-Y378 WeakPolarHBondContact CG-OH 3.19Å
338	R	98.1	Very high	97.4	Very high	162 Å²	162	59.4 Å²	59.4	61%	0.611	28%	0.282	S	S	*	.	H	α-helix	trans	-56.5	-43.9	177	-178.1	177	178.4	177.9	-0.2	112.2	L293 D334 D335 F336 F342	L293-R338 HydrophobicContact CD2-CB 4.34Å; L293-R338 HydrophobicContact CD2-CG 4.12Å; D334-R338 WeakPolarHBondContact O-CB 3.35Å; D334-R338 PolarHBondContact O-N 3.3Å; D335-R338 PolarHBondContact O-N 3.42Å; F336-R338 VanDerWaalsContact C-N 3.31Å; F336-R338 PolarHBondContact O-N 3.37Å; R338-F342 WeakPolarHBondContact O-CB 3.31Å; R338-F342 PolarHBondContact O-N 3.04Å
339	V	97.8	Very high	97.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-51.4	175.4	174.1	0	0	0	0	110.8	I292 L293 L296 V314 D335 F336 R337 L343	I292-V339 HydrophobicContact CG2-CB 4.45Å; I292-V339 HydrophobicContact CG2-CG1 3.8Å; I292-V339 HydrophobicContact CG2-CG2 3.71Å; L293-V339 HydrophobicContact CD1-CG2 4.42Å; L293-V339 HydrophobicContact CD2-CG2 3.54Å; L293-V339 HydrophobicContact CG-CG2 3.57Å; L296-V339 HydrophobicContact CD2-CB 4.37Å; L296-V339 HydrophobicContact CD2-CG1 4.1Å; L296-V339 HydrophobicContact CD2-CG2 4.24Å; V314-V339 HydrophobicContact CG1-CG1 4.37Å; V314-V339 HydrophobicContact CG2-CG1 4.25Å; D335-V339 WeakPolarHBondContact O-CG2 3.24Å; D335-V339 PolarHBondContact O-N 3.49Å; D335-V339 VanDerWaalsContact O-N 3.13Å; F336-V339 PolarHBondContact O-N 3.45Å; R337-V339 VanDerWaalsContact C-N 3.31Å; R337-V339 PolarHBondContact O-N 2.91Å; V339-L343 HydrophobicContact CG1-CD1 3.92Å; V339-L343 WeakPolarHBondContact O-CB 3.47Å; V339-L343 VanDerWaalsContact O-CG 3.27Å; V339-L343 WeakPolarHBondContact O-CG 3.43Å; V339-L343 PolarHBondContact O-N 3.31Å
340	V	97.9	Very high	97.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-47.7	-175.4	176.3	0	0	0	0	111.6	F336 R337 L343 K344 I352 Y378	F336-V340 HydrophobicContact CD1-CG2 4.25Å; F336-V340 HydrophobicContact CD2-CG2 4.36Å; F336-V340 HydrophobicContact CE1-CG2 3.72Å; F336-V340 HydrophobicContact CE2-CG2 3.84Å; F336-V340 HydrophobicContact CZ-CG2 3.5Å; F336-V340 VanDerWaalsContact CZ-CG2 3.5Å; F336-V340 WeakPolarHBondContact O-CG2 3.17Å; F336-V340 PolarHBondContact O-N 3.11Å; R337-V340 PolarHBondContact O-N 3.47Å; R337-V340 VanDerWaalsContact O-N 3.14Å; V340-L343 PolarHBondContact O-N 3.5Å; V340-K344 HydrophobicContact CG1-CD 4.03Å; V340-K344 HydrophobicContact CG1-CG 4.44Å; V340-K344 WeakPolarHBondContact O-CB 2.9Å; V340-K344 WeakPolarHBondContact O-CG 3.39Å; V340-K344 PolarHBondContact O-N 2.95Å; V340-I352 HydrophobicContact CG2-CG2 4.23Å; V340-Y378 HydrophobicContact CB-CE1 4.36Å; V340-Y378 HydrophobicContact CG1-CD1 3.85Å; V340-Y378 HydrophobicContact CG1-CE1 3.64Å; V340-Y378 HydrophobicContact CG1-CG 4.37Å
341	D	98.1	Very high	97.6	Very high	77 Å²	77	49.3 Å²	49.3	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-43.4	-177.3	-64.4	-17.5	0	0	0	110.8	R337 K344 D345 Y378	R337-D341 VanDerWaalsContact O-CB 3.3Å; R337-D341 WeakPolarHBondContact O-CB 3.08Å; R337-D341 PolarHBondContact O-N 3.38Å; D341-K344 PolarHBondContact O-N 3.44Å; D341-D345 WeakPolarHBondContact O-CB 3.21Å; D341-D345 PolarHBondContact O-N 2.95Å; D341-Y378 WeakPolarHBondContact OD1-CE1 3.25Å; D341-Y378 PolarHBondContact OD1-OH 3.33Å; D341-Y378 PolarHBondContact OD2-OH 3.2Å
342	F	98.4	Very high	97.6	Very high	51 Å²	51	48.8 Å²	48.8	22%	0.224	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-45.6	177	-175.4	-85.6	0	0	0	111.8	L296 E297 A300 R338 D345 K346	L296-F342 HydrophobicContact CB-CD1 3.81Å; L296-F342 HydrophobicContact CB-CE1 3.79Å; L296-F342 HydrophobicContact CB-CG 4.41Å; L296-F342 HydrophobicContact CB-CZ 4.36Å; L296-F342 HydrophobicContact CD1-CB 4.15Å; L296-F342 HydrophobicContact CD1-CD1 4.2Å; L296-F342 HydrophobicContact CD1-CG 4.07Å; L296-F342 HydrophobicContact CD2-CD1 4.26Å; L296-F342 HydrophobicContact CG-CD1 4.32Å; L296-F342 WeakPolarHBondContact O-CE1 3.23Å; E297-F342 HydrophobicContact CG-CZ 3.83Å; A300-F342 HydrophobicContact CB-CE1 4.05Å; R338-F342 WeakPolarHBondContact O-CB 3.31Å; R338-F342 PolarHBondContact O-N 3.04Å; F342-D345 PolarHBondContact O-N 2.77Å; F342-K346 HydrophobicContact CD1-CG 4.15Å; F342-K346 HydrophobicContact CE1-CB 4.22Å; F342-K346 HydrophobicContact CE1-CG 3.72Å; F342-K346 HydrophobicContact CE2-CG 4.14Å; F342-K346 HydrophobicContact CZ-CG 3.71Å; F342-K346 WeakPolarHBondContact O-CB 3.48Å; F342-K346 WeakPolarHBondContact O-CG 3.46Å; F342-K346 PolarHBondContact O-N 2.99Å
343	L	97.8	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-39.8	179.1	-69.9	176.6	0	0	0	111.7	L296 A300 L303 L312 V339 V340 D345 K346 V347 V350 I352	L296-L343 HydrophobicContact CD2-CG 4.41Å; A300-L343 HydrophobicContact CB-CD2 4.37Å; L303-L343 HydrophobicContact CD1-CD2 3.97Å; L312-L343 HydrophobicContact CD2-CD1 3.64Å; V339-L343 HydrophobicContact CG1-CD1 3.92Å; V339-L343 WeakPolarHBondContact O-CB 3.47Å; V339-L343 VanDerWaalsContact O-CG 3.27Å; V339-L343 WeakPolarHBondContact O-CG 3.43Å; V339-L343 PolarHBondContact O-N 3.31Å; V340-L343 PolarHBondContact O-N 3.5Å; L343-D345 VanDerWaalsContact C-N 3.29Å; L343-D345 PolarHBondContact O-N 3.33Å; L343-K346 PolarHBondContact O-N 3.32Å; L343-V347 HydrophobicContact CD2-CG2 4.32Å; L343-V347 WeakPolarHBondContact O-CA 3.37Å; L343-V347 WeakPolarHBondContact O-CB 3.28Å; L343-V347 PolarHBondContact O-N 3.45Å; L343-V350 HydrophobicContact CB-CG1 4.23Å; L343-V350 WeakPolarHBondContact O-CG1 3.31Å; L343-I352 HydrophobicContact CB-CD1 4.47Å; L343-I352 HydrophobicContact CD1-CD1 3.94Å
344	K	96.9	Very high	97.6	Very high	86 Å²	86	46.5 Å²	46.5	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-34.5	175.5	-78.1	-176.5	170.6	-173.5	0	112.8	V340 D341 V350 Y378	V340-K344 HydrophobicContact CG1-CD 4.03Å; V340-K344 HydrophobicContact CG1-CG 4.44Å; V340-K344 WeakPolarHBondContact O-CB 2.9Å; V340-K344 WeakPolarHBondContact O-CG 3.39Å; V340-K344 PolarHBondContact O-N 2.95Å; D341-K344 PolarHBondContact O-N 3.44Å; K344-V350 HydrophobicContact CG-CG1 4.16Å; K344-Y378 PolarHBondContact NZ-O 3.38Å
345	D	98.1	Very high	97.5	Very high	105 Å²	105	43 Å²	43	56%	0.561	22%	0.216	S	C	*	.	H	α-helix	trans	-73.1	-46.2	175	-179	65.8	0	0	0	112.4	D341 F342 L343	D341-D345 WeakPolarHBondContact O-CB 3.21Å; D341-D345 PolarHBondContact O-N 2.95Å; F342-D345 PolarHBondContact O-N 2.77Å; L343-D345 VanDerWaalsContact C-N 3.29Å; L343-D345 PolarHBondContact O-N 3.33Å
346	K	98.4	Very high	97.5	Very high	103 Å²	103	40.7 Å²	40.7	45%	0.448	20%	0.204	S	C	.	.	H	α-helix	trans	-90	-17.5	-172	-62.6	-53.8	-176.9	-139.6	0	115.4	A300 N304 F342 L343	A300-K346 HydrophobicContact CB-CB 3.73Å; N304-K346 PolarHBondContact ND2-O 3.02Å; F342-K346 HydrophobicContact CD1-CG 4.15Å; F342-K346 HydrophobicContact CE1-CB 4.22Å; F342-K346 HydrophobicContact CE1-CG 3.72Å; F342-K346 HydrophobicContact CE2-CG 4.14Å; F342-K346 HydrophobicContact CZ-CG 3.71Å; F342-K346 WeakPolarHBondContact O-CB 3.48Å; F342-K346 WeakPolarHBondContact O-CG 3.46Å; F342-K346 PolarHBondContact O-N 2.99Å; L343-K346 PolarHBondContact O-N 3.32Å
347	V	98.1	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-127.5	85.1	-178.7	-169.2	0	0	0	0	108	A300 L303 A310 L343 G349 V350	A300-V347 HydrophobicContact CB-CG2 3.74Å; L303-V347 HydrophobicContact CB-CG1 3.95Å; L303-V347 HydrophobicContact CB-CG2 4.11Å; L303-V347 HydrophobicContact CD1-CG2 4.5Å; A310-V347 HydrophobicContact CB-CG1 3.93Å; L343-V347 HydrophobicContact CD2-CG2 4.32Å; L343-V347 WeakPolarHBondContact O-CA 3.37Å; L343-V347 WeakPolarHBondContact O-CB 3.28Å; L343-V347 PolarHBondContact O-N 3.45Å; V347-G349 PolarHBondContact O-N 3.23Å; V347-V350 HydrophobicContact CB-CB 3.93Å; V347-V350 HydrophobicContact CB-CG1 4.32Å; V347-V350 HydrophobicContact CG1-CB 3.9Å; V347-V350 HydrophobicContact CG1-CG2 4.34Å; V347-V350 WeakPolarHBondContact O-CB 3.44Å; V347-V350 WeakPolarHBondContact O-CG1 3.48Å; V347-V350 PolarHBondContact O-N 2.84Å
348	P	95.4	Very high	97.4	Very high	92 Å²	92	37.2 Å²	37.2	60%	0.597	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	125.3	-177.2	-26.6	35.2	0	0	0	111.8	F452	P348-F452 VanDerWaalsContact O-CE1 3.28Å; P348-F452 WeakPolarHBondContact O-CE1 3.18Å
349	G	94.4	Very high	97.3	Very high	45 Å²	45	29.5 Å²	29.5	46%	0.464	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	3.4	-180	0	0	0	0	0	115.4	V347 T351 F452	V347-G349 PolarHBondContact O-N 3.23Å; G349-T351 PolarHBondContact O-N 3.3Å; G349-F452 VanDerWaalsContact C-CE1 3.45Å; G349-F452 WeakPolarHBondContact O-CD1 3.46Å; G349-F452 WeakPolarHBondContact O-CE1 3.39Å; G349-F452 WeakPolarHBondContact O-CG 3.19Å
350	V	97.6	Very high	97.3	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.079	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-52.3	131.8	-179.1	65.7	0	0	0	0	113	A310 L343 K344 V347 I352	A310-V350 WeakPolarHBondContact O-CA 3.24Å; L343-V350 HydrophobicContact CB-CG1 4.23Å; L343-V350 WeakPolarHBondContact O-CG1 3.31Å; K344-V350 HydrophobicContact CG-CG1 4.16Å; V347-V350 HydrophobicContact CB-CB 3.93Å; V347-V350 HydrophobicContact CB-CG1 4.32Å; V347-V350 HydrophobicContact CG1-CB 3.9Å; V347-V350 HydrophobicContact CG1-CG2 4.34Å; V347-V350 WeakPolarHBondContact O-CB 3.44Å; V347-V350 WeakPolarHBondContact O-CG1 3.48Å; V347-V350 PolarHBondContact O-N 2.84Å; V350-I352 HydrophobicContact CG1-CD1 4.46Å; V350-I352 HydrophobicContact CG2-CD1 3.93Å
351	T	97.9	Very high	97.3	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.7	172	-63.8	0	0	0	0	109.6	A310 F311 L312 G349 P381 F452	A310-T351 PolarHBondContact O-N 3.29Å; F311-T351 WeakPolarHBondContact CA-O 3.48Å; F311-T351 HydrophobicContact CD2-CG2 3.67Å; F311-T351 HydrophobicContact CE2-CG2 4.05Å; L312-T351 PolarHBondContact N-O 2.99Å; G349-T351 PolarHBondContact O-N 3.3Å; T351-P381 HydrophobicContact CG2-CB 4.24Å; T351-P381 HydrophobicContact CG2-CG 4.27Å; T351-F452 VanDerWaalsContact CB-O 3.24Å; T351-F452 WeakPolarHBondContact CB-O 3.17Å; T351-F452 PolarHBondContact OG1-O 2.95Å
352	I	97.6	Very high	97.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.5	170.7	-55.9	-59.9	0	0	0	109.2	L312 V340 L343 V350 F380	L312-I352 HydrophobicContact CB-CD1 4.07Å; L312-I352 WeakPolarHBondContact O-CA 3.38Å; V340-I352 HydrophobicContact CG2-CG2 4.23Å; L343-I352 HydrophobicContact CB-CD1 4.47Å; L343-I352 HydrophobicContact CD1-CD1 3.94Å; V350-I352 HydrophobicContact CG1-CD1 4.46Å; V350-I352 HydrophobicContact CG2-CD1 3.93Å; I352-F380 HydrophobicContact CB-CD1 4.43Å; I352-F380 HydrophobicContact CG2-CD1 4.36Å; I352-F380 HydrophobicContact CG2-CE1 4.21Å
353	A	97.6	Very high	97.1	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.3	167.3	0	0	0	0	0	110.1	F311 L312 H313 V314 S382 F384	F311-A353 HydrophobicContact CE2-CB 3.75Å; F311-A353 HydrophobicContact CZ-CB 3.73Å; L312-A353 PolarHBondContact O-N 2.86Å; H313-A353 CarbonylContact C-O 3.51Å; H313-A353 WeakPolarHBondContact CA-O 3.45Å; H313-A353 HydrophobicContact CB-CB 4.19Å; H313-A353 PolarHBondContact CD2-O 2.89Å; V314-A353 PolarHBondContact N-O 3.13Å; A353-S382 VanDerWaalsContact CA-O 3.3Å; A353-S382 WeakPolarHBondContact CA-O 3.01Å; A353-F384 HydrophobicContact CB-CE2 4.3Å
354	T	97.4	Very high	97.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.8	177.2	-161.1	0	0	0	0	112.4	V314 V316 F380 S382 L383 F384	V314-T354 WeakPolarHBondContact O-CA 3.49Å; V314-T354 WeakPolarHBondContact O-CB 3.47Å; V314-T354 PolarHBondContact O-OG1 2.96Å; V316-T354 HydrophobicContact CG1-CG2 4.35Å; V316-T354 PolarHBondContact N-OG1 2.88Å; T354-F380 HydrophobicContact CG2-CD1 4.36Å; T354-F380 HydrophobicContact CG2-CD2 3.89Å; T354-F380 HydrophobicContact CG2-CE1 4.46Å; T354-F380 HydrophobicContact CG2-CE2 4Å; T354-F380 HydrophobicContact CG2-CG 4.08Å; T354-F380 HydrophobicContact CG2-CZ 4.28Å; T354-S382 PolarHBondContact N-O 3.36Å; T354-L383 HydrophobicContact CG2-CD1 3.31Å; T354-F384 PolarHBondContact O-N 3.34Å
355	D	96.6	Very high	97.1	Very high	24 Å²	24	28.7 Å²	28.7	13%	0.128	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.6	172.4	-60.3	-93.7	0	0	0	110.4	H313 P315 Q317 F384	H313-D355 IonicContact CD2-OD2 2.58Å; H313-D355 IonicContact CE1-OD2 3.02Å; H313-D355 PolarHBondContact CE1-OD2 3.33Å; H313-D355 IonicContact NE2-OD2 3.45Å; H313-D355 PolarHBondContact NE2-OD2 3.15Å; P315-D355 HydrophobicContact CB-CB 4.13Å; P315-D355 WeakPolarHBondContact CB-OD2 3.43Å; Q317-D355 VanDerWaalsContact CA-O 3.26Å; Q317-D355 WeakPolarHBondContact CA-O 3.15Å; Q317-D355 PolarHBondContact N-O 2.9Å; D355-F384 WeakPolarHBondContact CA-O 3.43Å; D355-F384 HydrophobicContact CB-CB 4.32Å; D355-F384 WeakPolarHBondContact OD1-CB 3.39Å
356	I	97.7	Very high	97.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.1	170.3	-65.3	177.1	0	0	0	109.1	V316 Q317 T371 V375 L383 F384 N386 L414	V316-I356 HydrophobicContact CG1-CD1 4.46Å; V316-I356 HydrophobicContact CG1-CG1 3.88Å; Q317-I356 WeakPolarHBondContact O-CA 3.49Å; I356-T371 HydrophobicContact CD1-CG2 3.75Å; I356-T371 HydrophobicContact CG1-CG2 4.42Å; I356-T371 HydrophobicContact CG2-CG2 3.76Å; I356-V375 HydrophobicContact CD1-CG2 3.42Å; I356-V375 VanDerWaalsContact CD1-CG2 3.42Å; I356-L383 HydrophobicContact CD1-CD1 3.77Å; I356-L383 HydrophobicContact CD1-CD2 4.45Å; I356-L383 HydrophobicContact CG1-CD1 4.07Å; I356-F384 PolarHBondContact N-O 3.17Å; I356-N386 PolarHBondContact O-N 3.4Å; I356-L414 HydrophobicContact CB-CD2 4.07Å; I356-L414 HydrophobicContact CD1-CD2 3.96Å; I356-L414 HydrophobicContact CG2-CD2 3.64Å
357	I	96.5	Very high	97.1	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.082	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	105.6	172.8	-65.8	169.5	0	0	0	108.2	Y214 Q317 M327 N386 F388	Y214-I357 HydrophobicContact CD2-CD1 4.07Å; Y214-I357 HydrophobicContact CE1-CD1 4.2Å; Y214-I357 HydrophobicContact CE2-CD1 3.57Å; Q317-I357 PolarHBondContact O-N 2.84Å; Q317-I357 VanDerWaalsContact OE1-CG1 3.25Å; M327-I357 HydrophobicContact CE-CB 4.06Å; M327-I357 HydrophobicContact CE-CD1 4.47Å; M327-I357 HydrophobicContact CE-CG2 4.34Å; I357-N386 CarbonylContact C-O 3.56Å; I357-N386 WeakPolarHBondContact CA-O 3.45Å; I357-F388 HydrophobicContact CG2-CB 3.67Å; I357-F388 HydrophobicContact CG2-CD2 3.98Å; I357-F388 HydrophobicContact CG2-CG 4.32Å
358	C	96.9	Very high	97.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.1	175.9	-66	0	0	0	0	111.1	N386 F388 R410 L414	C358-N386 PolarHBondContact N-O 2.89Å; C358-F388 PolarHBondContact O-N 2.87Å; C358-R410 HydrophobicContact CB-CB 4.28Å; C358-L414 VanDerWaalsContact SG-CD2 3.59Å
359	G	96.4	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	33.7	173.7	0	0	0	0	0	113.7	E363 F388 K407	G359-E363 WeakPolarHBondContact CA-OE2 3.31Å; G359-E363 PolarHBondContact N-OE2 3.4Å; G359-F388 WeakPolarHBondContact O-CB 3.09Å; G359-K407 WeakPolarHBondContact O-CE 2.94Å
360	F	97.8	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.			trans	-56.5	145.4	170.8	-174	-94.4	0	0	0	110.2	T213 Y214 V323 D326 M327 G362 E363 F388 A396 M399 V402	T213-F360 WeakPolarHBondContact OG1-CZ 3.41Å; Y214-F360 HydrophobicContact CD1-CD2 4.45Å; Y214-F360 AromaticContact CD1-CE2 3.83Å; Y214-F360 HydrophobicContact CD1-CE2 3.83Å; V323-F360 HydrophobicContact CG1-CB 3.97Å; V323-F360 HydrophobicContact CG1-CD1 3.88Å; V323-F360 HydrophobicContact CG1-CG 4.12Å; D326-F360 HydrophobicContact CB-CE1 3.76Å; M327-F360 HydrophobicContact CB-CZ 4.43Å; M327-F360 HydrophobicContact CE-CB 3.61Å; M327-F360 HydrophobicContact CE-CD1 4.3Å; M327-F360 HydrophobicContact CE-CD2 3.5Å; M327-F360 HydrophobicContact CE-CE2 4.31Å; M327-F360 HydrophobicContact CE-CG 3.51Å; M327-F360 HydrophobicContact CG-CD1 4.11Å; M327-F360 HydrophobicContact CG-CD2 3.73Å; M327-F360 HydrophobicContact CG-CE1 3.98Å; M327-F360 HydrophobicContact CG-CE2 3.57Å; M327-F360 HydrophobicContact CG-CG 4.01Å; M327-F360 HydrophobicContact CG-CZ 3.71Å; M327-F360 HydrophobicContact SD-CD2 4.42Å; F360-G362 PolarHBondContact O-N 2.99Å; F360-E363 WeakPolarHBondContact O-CB 3.28Å; F360-E363 PolarHBondContact O-N 3.21Å; F360-F388 AromaticContact CD2-CD2 3.84Å; F360-F388 HydrophobicContact CD2-CD2 3.84Å; F360-F388 AromaticContact CD2-CE2 3.93Å; F360-F388 HydrophobicContact CD2-CE2 3.93Å; F360-F388 HydrophobicContact CE2-CD2 4.39Å; F360-F388 HydrophobicContact CE2-CE2 4.02Å; F360-A396 HydrophobicContact CE2-CB 3.88Å; F360-A396 HydrophobicContact CZ-CB 3.99Å; F360-M399 HydrophobicContact CE1-CE 4.26Å; F360-M399 HydrophobicContact CE1-SD 4.36Å; F360-M399 HydrophobicContact CZ-SD 4.24Å; F360-V402 VanDerWaalsContact O-CG2 3.28Å; F360-V402 WeakPolarHBondContact O-CG2 3.36Å
361	P	97.4	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	128.5	178.6	-28.1	38.7	0	0	0	111.7	F388 A396 M399 E400	P361-F388 HydrophobicContact CG-CD1 3.94Å; P361-F388 HydrophobicContact CG-CE1 3.42Å; P361-F388 VanDerWaalsContact CG-CE1 3.42Å; P361-F388 HydrophobicContact CG-CZ 3.74Å; P361-A396 HydrophobicContact CG-CB 4.44Å; P361-A396 WeakPolarHBondContact CG-O 3.33Å; P361-M399 HydrophobicContact CB-CB 3.46Å; P361-M399 VanDerWaalsContact CB-CB 3.46Å; P361-M399 HydrophobicContact CB-CE 4.4Å; P361-M399 HydrophobicContact CB-CG 4.46Å; P361-M399 HydrophobicContact CB-SD 4.31Å; P361-M399 HydrophobicContact CG-CB 4.19Å; P361-E400 WeakPolarHBondContact CA-O 3.3Å; P361-E400 VanDerWaalsContact CB-O 3.3Å; P361-E400 WeakPolarHBondContact CB-O 3.35Å
362	G	94.3	Very high	97.5	Very high	47 Å²	47	27.4 Å²	27.4	49%	0.485	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-10.5	-174.5	0	0	0	0	0	116.3	F360 T364 E400	F360-G362 PolarHBondContact O-N 2.99Å; G362-T364 PolarHBondContact O-N 3.04Å; G362-E400 PolarHBondContact N-O 2.92Å
363	E	97.7	Very high	97.5	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.033	18%	0.176	C	C	.	.			trans	-63.6	118	-177.8	-177.1	-172	-106.1	0	0	112.4	V323 G359 F360 D367 V402 R410	V323-E363 HydrophobicContact CG2-CB 4.15Å; V323-E363 HydrophobicContact CG2-CG 4.19Å; G359-E363 WeakPolarHBondContact CA-OE2 3.31Å; G359-E363 PolarHBondContact N-OE2 3.4Å; F360-E363 WeakPolarHBondContact O-CB 3.28Å; F360-E363 PolarHBondContact O-N 3.21Å; E363-D367 HydrophobicContact CG-CB 3.97Å; E363-V402 HydrophobicContact CB-CG2 4.44Å; E363-R410 PolarHBondContact O-NH1 2.95Å; E363-R410 PolarHBondContact O-NH2 3.45Å; E363-R410 VanDerWaalsContact OE2-CD 3.29Å; E363-R410 WeakPolarHBondContact OE2-CD 3.13Å; E363-R410 IonicContact OE2-CZ 2.75Å; E363-R410 IonicContact OE2-NE 2.79Å; E363-R410 IonicContact OE2-NH1 3.69Å; E363-R410 PolarHBondContact OE2-NH1 3.34Å
364	T	97.8	Very high	97.6	Very high	67 Å²	67	33.6 Å²	33.6	41%	0.411	18%	0.177	S	C	.	.			trans	-82.6	173	177.7	72	0	0	0	0	112	G362 E366 D367 F368 R410	G362-T364 PolarHBondContact O-N 3.04Å; T364-E366 VanDerWaalsContact C-N 3.34Å; T364-E366 PolarHBondContact OG1-N 3.24Å; T364-D367 WeakPolarHBondContact CB-OD2 3.44Å; T364-D367 WeakPolarHBondContact CG2-OD2 3.28Å; T364-D367 PolarHBondContact N-OD2 3.14Å; T364-D367 PolarHBondContact OG1-N 3.13Å; T364-D367 PolarHBondContact OG1-OD2 3.46Å; T364-F368 PolarHBondContact O-N 2.59Å; T364-R410 PolarHBondContact O-NH2 2.99Å; T364-R410 VanDerWaalsContact O-NH2 3.09Å
365	E	97.4	Very high	97.6	Very high	76 Å²	76	33.6 Å²	33.6	36%	0.355	18%	0.177	S	C	.	.	H	α-helix	trans	-67.5	-35.9	173.6	-175.4	61.7	-166.4	0	0	111.6	F368 Q369 R410 K413	E365-F368 PolarHBondContact O-N 2.8Å; E365-Q369 HydrophobicContact CG-CG 4.42Å; E365-Q369 VanDerWaalsContact O-CG 3.31Å; E365-Q369 WeakPolarHBondContact O-CG 3.32Å; E365-Q369 PolarHBondContact O-N 2.84Å; E365-Q369 PolarHBondContact OE1-NE2 3.48Å; E365-R410 IonicContact OE2-NE 2.79Å; E365-R410 IonicContact OE2-NH2 3.89Å; E365-K413 IonicContact OE1-NZ 2.75Å
366	E	98.1	Very high	97.7	Very high	156 Å²	156	39.5 Å²	39.5	73%	0.729	20%	0.201	S	C	*	.	H	α-helix	trans	-62.4	-45.4	178.2	-66.7	176.2	-174	0	0	111.2	T364 F368 Q369 D370	T364-E366 VanDerWaalsContact C-N 3.34Å; T364-E366 PolarHBondContact OG1-N 3.24Å; E366-F368 VanDerWaalsContact C-N 3.27Å; E366-F368 PolarHBondContact O-N 2.58Å; E366-Q369 WeakPolarHBondContact O-CB 3.38Å; E366-Q369 PolarHBondContact O-N 3.35Å; E366-Q369 VanDerWaalsContact O-N 3.07Å; E366-D370 PolarHBondContact O-N 2.96Å
367	D	98.3	Very high	97.7	Very high	20 Å²	20	45.9 Å²	45.9	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-42	175.3	-60.4	-46.7	0	0	0	112.2	S320 V323 E363 T364 D370 T371	S320-D367 WeakPolarHBondContact CB-OD1 3.49Å; S320-D367 VanDerWaalsContact OG-CG 3.31Å; S320-D367 PolarHBondContact OG-OD1 3.47Å; V323-D367 HydrophobicContact CG2-CB 3.91Å; E363-D367 HydrophobicContact CG-CB 3.97Å; T364-D367 WeakPolarHBondContact CB-OD2 3.44Å; T364-D367 WeakPolarHBondContact CG2-OD2 3.28Å; T364-D367 PolarHBondContact N-OD2 3.14Å; T364-D367 PolarHBondContact OG1-N 3.13Å; T364-D367 PolarHBondContact OG1-OD2 3.46Å; D367-D370 PolarHBondContact O-N 2.75Å; D367-T371 PolarHBondContact O-N 3.32Å; D367-T371 PolarHBondContact O-OG1 3.17Å; D367-T371 VanDerWaalsContact O-OG1 3.09Å
368	F	98.4	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-37.6	177.9	179.6	-110.2	0	0	0	111.9	T364 E365 E366 D370 T371 L372 R410 K413 L414	T364-F368 PolarHBondContact O-N 2.59Å; E365-F368 PolarHBondContact O-N 2.8Å; E366-F368 VanDerWaalsContact C-N 3.27Å; E366-F368 PolarHBondContact O-N 2.58Å; F368-D370 VanDerWaalsContact C-N 3.32Å; F368-D370 PolarHBondContact O-N 2.94Å; F368-T371 WeakPolarHBondContact O-CB 3.4Å; F368-T371 PolarHBondContact O-N 3.34Å; F368-L372 HydrophobicContact CD1-CD1 4.07Å; F368-L372 HydrophobicContact CD1-CG 4.47Å; F368-L372 HydrophobicContact CE1-CD1 3.54Å; F368-L372 HydrophobicContact CE1-CD2 4.36Å; F368-L372 HydrophobicContact CE1-CG 3.95Å; F368-L372 HydrophobicContact CE2-CG 4.49Å; F368-L372 HydrophobicContact CZ-CD1 4.02Å; F368-L372 HydrophobicContact CZ-CD2 3.98Å; F368-L372 HydrophobicContact CZ-CG 3.93Å; F368-L372 PolarHBondContact O-N 2.98Å; F368-R410 HydrophobicContact CD1-CB 4.32Å; F368-R410 HydrophobicContact CD1-CG 3.72Å; F368-R410 HydrophobicContact CD2-CB 3.9Å; F368-R410 HydrophobicContact CD2-CG 3.89Å; F368-R410 HydrophobicContact CE1-CB 4.02Å; F368-R410 HydrophobicContact CE1-CG 3.83Å; F368-R410 HydrophobicContact CE2-CB 3.59Å; F368-R410 HydrophobicContact CE2-CG 4.02Å; F368-R410 HydrophobicContact CG-CB 4.26Å; F368-R410 HydrophobicContact CG-CG 3.75Å; F368-R410 HydrophobicContact CZ-CB 3.67Å; F368-R410 HydrophobicContact CZ-CG 4Å; F368-R410 WeakPolarHBondContact CZ-O 3.42Å; F368-K413 HydrophobicContact CE1-CB 4.19Å; F368-K413 HydrophobicContact CE1-CD 3.96Å; F368-K413 HydrophobicContact CZ-CB 4.13Å; F368-L414 HydrophobicContact CE2-CB 4.38Å; F368-L414 HydrophobicContact CZ-CB 4.32Å
369	Q	98.4	Very high	97.7	Very high	71 Å²	71	50.8 Å²	50.8	33%	0.332	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-38.1	175	-70.1	-56	-40.1	0	0	112	E365 E366 T371 L372 K373	E365-Q369 HydrophobicContact CG-CG 4.42Å; E365-Q369 VanDerWaalsContact O-CG 3.31Å; E365-Q369 WeakPolarHBondContact O-CG 3.32Å; E365-Q369 PolarHBondContact O-N 2.84Å; E365-Q369 PolarHBondContact OE1-NE2 3.48Å; E366-Q369 WeakPolarHBondContact O-CB 3.38Å; E366-Q369 PolarHBondContact O-N 3.35Å; E366-Q369 VanDerWaalsContact O-N 3.07Å; Q369-T371 VanDerWaalsContact C-N 3.28Å; Q369-T371 PolarHBondContact O-N 3.34Å; Q369-L372 WeakPolarHBondContact O-CB 3.23Å; Q369-L372 PolarHBondContact O-N 2.94Å; Q369-K373 WeakPolarHBondContact O-CG 3.35Å; Q369-K373 PolarHBondContact O-N 3Å
370	D	98.4	Very high	97.7	Very high	63 Å²	63	50.8 Å²	50.8	34%	0.337	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-35.4	174.6	-71.6	-20.1	0	0	0	112.1	E366 D367 F368 K373 L374	E366-D370 PolarHBondContact O-N 2.96Å; D367-D370 PolarHBondContact O-N 2.75Å; F368-D370 VanDerWaalsContact C-N 3.32Å; F368-D370 PolarHBondContact O-N 2.94Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 IonicContact OD1-NZ 3.89Å; D370-K373 PolarHBondContact OD1-NZ 3.06Å; D370-L374 PolarHBondContact O-N 3.09Å
371	T	98.4	Very high	97.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-42	173	-58.4	0	0	0	0	111.9	A319 I356 D367 F368 Q369 L374 V375	A319-T371 VanDerWaalsContact CB-CA 3.5Å; A319-T371 PolarHBondContact N-OG1 3.38Å; A319-T371 VanDerWaalsContact N-OG1 3.12Å; I356-T371 HydrophobicContact CD1-CG2 3.75Å; I356-T371 HydrophobicContact CG1-CG2 4.42Å; I356-T371 HydrophobicContact CG2-CG2 3.76Å; D367-T371 PolarHBondContact O-N 3.32Å; D367-T371 PolarHBondContact O-OG1 3.17Å; D367-T371 VanDerWaalsContact O-OG1 3.09Å; F368-T371 WeakPolarHBondContact O-CB 3.4Å; F368-T371 PolarHBondContact O-N 3.34Å; Q369-T371 VanDerWaalsContact C-N 3.28Å; Q369-T371 PolarHBondContact O-N 3.34Å; T371-L374 PolarHBondContact O-N 2.74Å; T371-V375 PolarHBondContact O-N 2.7Å
372	L	98.5	Very high	97.5	Very high	25 Å²	25	53.7 Å²	53.7	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-42.3	173.3	-71.2	171.8	0	0	0	112.2	F368 Q369 L374 V375 K376 L414 L417	F368-L372 HydrophobicContact CD1-CD1 4.07Å; F368-L372 HydrophobicContact CD1-CG 4.47Å; F368-L372 HydrophobicContact CE1-CD1 3.54Å; F368-L372 HydrophobicContact CE1-CD2 4.36Å; F368-L372 HydrophobicContact CE1-CG 3.95Å; F368-L372 HydrophobicContact CE2-CG 4.49Å; F368-L372 HydrophobicContact CZ-CD1 4.02Å; F368-L372 HydrophobicContact CZ-CD2 3.98Å; F368-L372 HydrophobicContact CZ-CG 3.93Å; F368-L372 PolarHBondContact O-N 2.98Å; Q369-L372 WeakPolarHBondContact O-CB 3.23Å; Q369-L372 PolarHBondContact O-N 2.94Å; L372-L374 VanDerWaalsContact C-N 3.34Å; L372-L374 PolarHBondContact O-N 2.63Å; L372-V375 PolarHBondContact O-N 2.71Å; L372-K376 WeakPolarHBondContact O-CB 3.41Å; L372-K376 PolarHBondContact O-N 3.38Å; L372-L414 HydrophobicContact CD2-CB 4.38Å; L372-L414 HydrophobicContact CD2-CD1 3.72Å; L372-L417 HydrophobicContact CB-CD2 4.26Å; L372-L417 HydrophobicContact CD2-CB 4.34Å; L372-L417 HydrophobicContact CD2-CD2 3.68Å; L372-L417 WeakPolarHBondContact O-CD2 2.97Å
373	K	98.6	Very high	97.6	Very high	128 Å²	128	52.1 Å²	52.1	56%	0.557	25%	0.253	S	S	*	.	H	α-helix	trans	-60.7	-43.7	177.4	-69.2	171.2	-161.4	158.4	0	111.4	Q369 D370 K376 H377	Q369-K373 WeakPolarHBondContact O-CG 3.35Å; Q369-K373 PolarHBondContact O-N 3Å; D370-K373 PolarHBondContact O-N 2.92Å; D370-K373 IonicContact OD1-NZ 3.89Å; D370-K373 PolarHBondContact OD1-NZ 3.06Å; K373-K376 PolarHBondContact O-N 2.96Å; K373-H377 WeakPolarHBondContact O-CB 3.27Å; K373-H377 PolarHBondContact O-N 3.49Å
374	L	98.5	Very high	97.5	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-49.8	177.8	-173	78.6	0	0	0	111.6	V316 A319 I333 F336 R337 D370 T371 L372 K376 H377 Y378	V316-L374 HydrophobicContact CG1-CD2 4.16Å; V316-L374 HydrophobicContact CG2-CD2 3.96Å; A319-L374 HydrophobicContact CB-CB 3.96Å; A319-L374 HydrophobicContact CB-CD2 3.92Å; A319-L374 HydrophobicContact CB-CG 4.45Å; I333-L374 HydrophobicContact CD1-CD1 3.87Å; I333-L374 HydrophobicContact CD1-CD2 3.87Å; I333-L374 HydrophobicContact CD1-CG 4.48Å; I333-L374 HydrophobicContact CG1-CD1 4.42Å; F336-L374 HydrophobicContact CD1-CD2 4.34Å; F336-L374 HydrophobicContact CE1-CD1 4.44Å; F336-L374 HydrophobicContact CE1-CD2 3.99Å; R337-L374 HydrophobicContact CG-CD1 4.44Å; D370-L374 PolarHBondContact O-N 3.09Å; T371-L374 PolarHBondContact O-N 2.74Å; L372-L374 VanDerWaalsContact C-N 3.34Å; L372-L374 PolarHBondContact O-N 2.63Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 2.82Å; L374-H377 PolarHBondContact O-N 3.16Å; L374-Y378 HydrophobicContact CD1-CD2 3.81Å; L374-Y378 HydrophobicContact CD1-CE2 3.59Å; L374-Y378 HydrophobicContact CG-CD2 4.05Å; L374-Y378 HydrophobicContact CG-CE2 4.33Å; L374-Y378 PolarHBondContact O-N 3.25Å
375	V	98.3	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-39.1	-179.9	172.9	0	0	0	0	111.4	I356 T371 L372 H377 Q379 F380 L383 L414 L417 Y421	I356-V375 HydrophobicContact CD1-CG2 3.42Å; I356-V375 VanDerWaalsContact CD1-CG2 3.42Å; T371-V375 PolarHBondContact O-N 2.7Å; L372-V375 PolarHBondContact O-N 2.71Å; V375-H377 VanDerWaalsContact C-N 3.32Å; V375-H377 PolarHBondContact O-N 2.84Å; V375-Q379 WeakPolarHBondContact O-CA 3.45Å; V375-Q379 PolarHBondContact O-N 2.61Å; V375-F380 HydrophobicContact CG2-CD2 4.42Å; V375-F380 HydrophobicContact CG2-CE2 4.46Å; V375-L383 HydrophobicContact CG1-CD2 3.75Å; V375-L383 HydrophobicContact CG2-CD1 4.47Å; V375-L383 HydrophobicContact CG2-CD2 3.99Å; V375-L414 HydrophobicContact CB-CD1 4.28Å; V375-L414 HydrophobicContact CG1-CD1 4.4Å; V375-L414 HydrophobicContact CG2-CD1 4.01Å; V375-L417 HydrophobicContact CB-CD2 4.04Å; V375-L417 HydrophobicContact CG1-CD2 3.95Å; V375-L417 HydrophobicContact CG1-CG 4.29Å; V375-Y421 HydrophobicContact CG1-CE1 4.31Å
376	K	97.9	Very high	97.2	Very high	148 Å²	148	52.7 Å²	52.7	64%	0.643	25%	0.253	S	S	*	.	H	α-helix	trans	-64	-37.5	175.6	-174.3	176.2	179.5	179.4	0	112.2	L372 K373 L374 Q379 L417	L372-K376 WeakPolarHBondContact O-CB 3.41Å; L372-K376 PolarHBondContact O-N 3.38Å; K373-K376 PolarHBondContact O-N 2.96Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 2.82Å; K376-Q379 WeakPolarHBondContact O-CG 3.28Å; K376-L417 HydrophobicContact CB-CD1 4.31Å; K376-L417 HydrophobicContact CB-CD2 4.3Å
377	H	97.8	Very high	96.9	Very high	136 Å²	136	47.6 Å²	47.6	63%	0.63	23%	0.229	S	C	*	.	H	α-helix	trans	-68.7	-49.3	179.3	178.1	69.3	0	0	0	112	K373 L374 V375	K373-H377 WeakPolarHBondContact O-CB 3.27Å; K373-H377 PolarHBondContact O-N 3.49Å; L374-H377 PolarHBondContact O-N 3.16Å; V375-H377 VanDerWaalsContact C-N 3.32Å; V375-H377 PolarHBondContact O-N 2.84Å
378	Y	97.1	Very high	96.7	Very high	14 Å²	14	47 Å²	47	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-88.1	-21	-173	-75.2	-56.4	0	0	0	115.5	F336 R337 V340 D341 K344 L374 F380	F336-Y378 HydrophobicContact CE1-CE2 4.33Å; R337-Y378 WeakPolarHBondContact CB-OH 3.29Å; R337-Y378 HydrophobicContact CG-CE2 4.25Å; R337-Y378 WeakPolarHBondContact CG-OH 3.19Å; V340-Y378 HydrophobicContact CB-CE1 4.36Å; V340-Y378 HydrophobicContact CG1-CD1 3.85Å; V340-Y378 HydrophobicContact CG1-CE1 3.64Å; V340-Y378 HydrophobicContact CG1-CG 4.37Å; D341-Y378 WeakPolarHBondContact OD1-CE1 3.25Å; D341-Y378 PolarHBondContact OD1-OH 3.33Å; D341-Y378 PolarHBondContact OD2-OH 3.2Å; K344-Y378 PolarHBondContact NZ-O 3.38Å; L374-Y378 HydrophobicContact CD1-CD2 3.81Å; L374-Y378 HydrophobicContact CD1-CE2 3.59Å; L374-Y378 HydrophobicContact CG-CD2 4.05Å; L374-Y378 HydrophobicContact CG-CE2 4.33Å; L374-Y378 PolarHBondContact O-N 3.25Å; Y378-F380 VanDerWaalsContact C-N 3.34Å; Y378-F380 VanDerWaalsContact CB-CZ 3.41Å; Y378-F380 HydrophobicContact CD2-CE1 4.3Å; Y378-F380 HydrophobicContact CD2-CE2 4.15Å; Y378-F380 AromaticContact CD2-CZ 3.55Å; Y378-F380 HydrophobicContact CD2-CZ 3.55Å; Y378-F380 HydrophobicContact CG-CE1 4.1Å; Y378-F380 HydrophobicContact CG-CE2 4.33Å; Y378-F380 AromaticContact CG-CZ 3.73Å; Y378-F380 HydrophobicContact CG-CZ 3.73Å; Y378-F380 PolarHBondContact O-N 3.21Å
379	Q	96.6	Very high	96.3	Very high	104 Å²	104	52.3 Å²	52.3	49%	0.486	25%	0.246	S	C	.	.			trans	45.5	54.8	-178.4	-62.6	-169.8	-43.3	0	0	112.8	V375 K376 Y421	V375-Q379 WeakPolarHBondContact O-CA 3.45Å; V375-Q379 PolarHBondContact O-N 2.61Å; K376-Q379 WeakPolarHBondContact O-CG 3.28Å; Q379-Y421 VanDerWaalsContact C-CE2 3.43Å; Q379-Y421 HydrophobicContact CB-CD2 3.81Å; Q379-Y421 HydrophobicContact CB-CE1 4.49Å; Q379-Y421 HydrophobicContact CB-CE2 3.76Å; Q379-Y421 HydrophobicContact CB-CG 4.21Å; Q379-Y421 HydrophobicContact CG-CD1 4.27Å; Q379-Y421 HydrophobicContact CG-CD2 4.27Å; Q379-Y421 HydrophobicContact CG-CE1 4.46Å; Q379-Y421 HydrophobicContact CG-CE2 4.48Å; Q379-Y421 HydrophobicContact CG-CG 4.15Å
380	F	96.8	Very high	95.9	Very high	1 Å²	1	52 Å²	52	0%	0.004	25%	0.25	C	S	.	.			trans	-52.8	131	-176	-61.6	-72.2	0	0	0	112.2	F336 I352 T354 V375 Y378 S382 L383 F418 Y421	F336-F380 AromaticContact CE1-CZ 3.91Å; F336-F380 HydrophobicContact CE1-CZ 3.91Å; F336-F380 HydrophobicContact CZ-CE1 4.11Å; F336-F380 AromaticContact CZ-CZ 3.75Å; F336-F380 HydrophobicContact CZ-CZ 3.75Å; I352-F380 HydrophobicContact CB-CD1 4.43Å; I352-F380 HydrophobicContact CG2-CD1 4.36Å; I352-F380 HydrophobicContact CG2-CE1 4.21Å; T354-F380 HydrophobicContact CG2-CD1 4.36Å; T354-F380 HydrophobicContact CG2-CD2 3.89Å; T354-F380 HydrophobicContact CG2-CE1 4.46Å; T354-F380 HydrophobicContact CG2-CE2 4Å; T354-F380 HydrophobicContact CG2-CG 4.08Å; T354-F380 HydrophobicContact CG2-CZ 4.28Å; V375-F380 HydrophobicContact CG2-CD2 4.42Å; V375-F380 HydrophobicContact CG2-CE2 4.46Å; Y378-F380 VanDerWaalsContact C-N 3.34Å; Y378-F380 VanDerWaalsContact CB-CZ 3.41Å; Y378-F380 HydrophobicContact CD2-CE1 4.3Å; Y378-F380 HydrophobicContact CD2-CE2 4.15Å; Y378-F380 AromaticContact CD2-CZ 3.55Å; Y378-F380 HydrophobicContact CD2-CZ 3.55Å; Y378-F380 HydrophobicContact CG-CE1 4.1Å; Y378-F380 HydrophobicContact CG-CE2 4.33Å; Y378-F380 AromaticContact CG-CZ 3.73Å; Y378-F380 HydrophobicContact CG-CZ 3.73Å; Y378-F380 PolarHBondContact O-N 3.21Å; F380-S382 VanDerWaalsContact C-N 3.29Å; F380-S382 PolarHBondContact O-N 3.12Å; F380-L383 HydrophobicContact CD2-CD1 4.4Å; F380-F418 WeakPolarHBondContact O-CE2 3.21Å; F380-Y421 PolarHBondContact N-OH 2.85Å; F380-Y421 WeakPolarHBondContact O-CE2 3.48Å; F380-Y421 PolarHBondContact O-OH 3.37Å
381	P	95.1	Very high	95.4	Very high	27 Å²	27	50.4 Å²	50.4	18%	0.175	24%	0.24	C	C	.	.	S	Bend	trans	-64	-34.7	175.5	-23.8	34.1	0	0	0	113.2	T351 P423 Y424	T351-P381 HydrophobicContact CG2-CB 4.24Å; T351-P381 HydrophobicContact CG2-CG 4.27Å; P381-P423 HydrophobicContact CB-CB 3.78Å; P381-P423 HydrophobicContact CB-CG 4.09Å; P381-P423 HydrophobicContact CG-CB 3.98Å; P381-Y424 HydrophobicContact CB-CE1 3.93Å; P381-Y424 WeakPolarHBondContact CB-OH 3.33Å
382	S	95.4	Very high	94.8	Very high	33 Å²	33	54.5 Å²	54.5	23%	0.231	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	113	179.8	178.3	0	0	0	0	110.8	A353 T354 F380	A353-S382 VanDerWaalsContact CA-O 3.3Å; A353-S382 WeakPolarHBondContact CA-O 3.01Å; T354-S382 PolarHBondContact N-O 3.36Å; F380-S382 VanDerWaalsContact C-N 3.29Å; F380-S382 PolarHBondContact O-N 3.12Å
383	L	96.2	Very high	94.3	Very high	15 Å²	15	56 Å²	56	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	114.3	-178.6	-174.7	64	0	0	0	111.1	T354 I356 V375 F380 I385 F418	T354-L383 HydrophobicContact CG2-CD1 3.31Å; I356-L383 HydrophobicContact CD1-CD1 3.77Å; I356-L383 HydrophobicContact CD1-CD2 4.45Å; I356-L383 HydrophobicContact CG1-CD1 4.07Å; V375-L383 HydrophobicContact CG1-CD2 3.75Å; V375-L383 HydrophobicContact CG2-CD1 4.47Å; V375-L383 HydrophobicContact CG2-CD2 3.99Å; F380-L383 HydrophobicContact CD2-CD1 4.4Å; L383-I385 HydrophobicContact CD2-CD1 4.04Å; L383-I385 HydrophobicContact CD2-CG1 3.92Å; L383-I385 HydrophobicContact CG-CD1 4.42Å; L383-I385 HydrophobicContact CG-CG1 3.86Å; L383-I385 PolarHBondContact O-N 3.44Å; L383-F418 HydrophobicContact CB-CD2 3.6Å; L383-F418 HydrophobicContact CB-CE2 3.58Å; L383-F418 HydrophobicContact CB-CG 4.31Å; L383-F418 HydrophobicContact CB-CZ 4.26Å; L383-F418 HydrophobicContact CD2-CB 4.24Å; L383-F418 HydrophobicContact CD2-CD2 3.93Å; L383-F418 HydrophobicContact CD2-CG 4.31Å; L383-F418 HydrophobicContact CG-CD2 4.41Å
384	F	95.4	Very high	94	Very high	73 Å²	73	50.1 Å²	50.1	32%	0.32	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	98.9	176.7	-60.4	-68.6	0	0	0	110.4	H313 A353 T354 D355 I356 N386	H313-F384 AromaticContact CE1-CD2 3.85Å; H313-F384 AromaticContact CE1-CE2 3.73Å; H313-F384 AromaticContact NE2-CD2 3.79Å; H313-F384 AromaticContact NE2-CE2 3.96Å; A353-F384 HydrophobicContact CB-CE2 4.3Å; T354-F384 PolarHBondContact O-N 3.34Å; D355-F384 WeakPolarHBondContact CA-O 3.43Å; D355-F384 HydrophobicContact CB-CB 4.32Å; D355-F384 WeakPolarHBondContact OD1-CB 3.39Å; I356-F384 PolarHBondContact N-O 3.17Å; F384-N386 PolarHBondContact O-ND2 3.04Å
385	I	95.8	Very high	93.9	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.185	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.4	179.6	-55.7	169.9	0	0	0	109	L383 T411 L414 F418	L383-I385 HydrophobicContact CD2-CD1 4.04Å; L383-I385 HydrophobicContact CD2-CG1 3.92Å; L383-I385 HydrophobicContact CG-CD1 4.42Å; L383-I385 HydrophobicContact CG-CG1 3.86Å; L383-I385 PolarHBondContact O-N 3.44Å; I385-T411 HydrophobicContact CG2-CG2 3.96Å; I385-L414 HydrophobicContact CD1-CB 4.27Å; I385-L414 HydrophobicContact CD1-CD2 4.23Å; I385-L414 HydrophobicContact CD1-CG 3.82Å; I385-L414 HydrophobicContact CG1-CD2 3.98Å; I385-L414 HydrophobicContact CG1-CG 4.12Å; I385-L414 HydrophobicContact CG2-CB 4.49Å; I385-L414 HydrophobicContact CG2-CD2 3.91Å; I385-L414 HydrophobicContact CG2-CG 4.43Å; I385-F418 HydrophobicContact CD1-CB 4.18Å
386	N	92.8	Very high	93.8	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.283	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.1	178.8	-63.7	-74.7	0	0	0	110.8	I356 I357 C358 F384	I356-N386 PolarHBondContact O-N 3.4Å; I357-N386 CarbonylContact C-O 3.56Å; I357-N386 WeakPolarHBondContact CA-O 3.45Å; C358-N386 PolarHBondContact N-O 2.89Å; F384-N386 PolarHBondContact O-ND2 3.04Å
387	Q	92.8	Very high	93.6	Very high	48 Å²	48	47.6 Å²	47.6	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.1	167.7	173.8	173.1	-33.2	0	0	110.1	Y389 K407	Q387-Y389 HydrophobicContact CB-CD2 4.49Å; Q387-Y389 HydrophobicContact CB-CE2 3.75Å; Q387-Y389 HydrophobicContact CG-CD2 4.49Å; Q387-Y389 HydrophobicContact CG-CE1 4.49Å; Q387-Y389 HydrophobicContact CG-CE2 3.93Å; Q387-Y389 WeakPolarHBondContact O-CD2 3.49Å; Q387-Y389 WeakPolarHBondContact O-CE2 3.49Å; Q387-Y389 PolarHBondContact O-N 3.5Å; Q387-K407 HydrophobicContact CG-CB 4.01Å; Q387-K407 HydrophobicContact CG-CD 4.22Å
388	F	93.4	Very high	93.5	Very high	8 Å²	8	50 Å²	50	4%	0.035	27%	0.273	C	S	.	.			trans	-69.5	126	172.6	-177.5	-97.7	0	0	0	112	I357 C358 G359 F360 P361 P390 A396 Q401 K407	I357-F388 HydrophobicContact CG2-CB 3.67Å; I357-F388 HydrophobicContact CG2-CD2 3.98Å; I357-F388 HydrophobicContact CG2-CG 4.32Å; C358-F388 PolarHBondContact O-N 2.87Å; G359-F388 WeakPolarHBondContact O-CB 3.09Å; F360-F388 AromaticContact CD2-CD2 3.84Å; F360-F388 HydrophobicContact CD2-CD2 3.84Å; F360-F388 AromaticContact CD2-CE2 3.93Å; F360-F388 HydrophobicContact CD2-CE2 3.93Å; F360-F388 HydrophobicContact CE2-CD2 4.39Å; F360-F388 HydrophobicContact CE2-CE2 4.02Å; P361-F388 HydrophobicContact CG-CD1 3.94Å; P361-F388 HydrophobicContact CG-CE1 3.42Å; P361-F388 VanDerWaalsContact CG-CE1 3.42Å; P361-F388 HydrophobicContact CG-CZ 3.74Å; F388-P390 HydrophobicContact CE1-CB 4.18Å; F388-A396 HydrophobicContact CE2-CB 4.03Å; F388-A396 HydrophobicContact CZ-CB 3.68Å; F388-Q401 VanDerWaalsContact CE1-OE1 3.27Å; F388-K407 PolarHBondContact O-NZ 3.39Å; F388-K407 VanDerWaalsContact O-NZ 3.17Å
389	Y	89.6	Confident	93.4	Very high	111 Å²	111	52.1 Å²	52.1	44%	0.435	28%	0.284	S	S	.	.			trans	-120.6	129	169.8	-63.3	-86.9	0	0	0	110.5	N107 Q387 R391	N107-Y389 WeakPolarHBondContact ND2-CB 3.46Å; N107-Y389 WeakPolarHBondContact ND2-CD2 3.27Å; Q387-Y389 HydrophobicContact CB-CD2 4.49Å; Q387-Y389 HydrophobicContact CB-CE2 3.75Å; Q387-Y389 HydrophobicContact CG-CD2 4.49Å; Q387-Y389 HydrophobicContact CG-CE1 4.49Å; Q387-Y389 HydrophobicContact CG-CE2 3.93Å; Q387-Y389 WeakPolarHBondContact O-CD2 3.49Å; Q387-Y389 WeakPolarHBondContact O-CE2 3.49Å; Q387-Y389 PolarHBondContact O-N 3.5Å; Y389-R391 PolarHBondContact O-N 3.33Å
390	P	89.9	Confident	93.3	Very high	65 Å²	65	55.6 Å²	55.6	42%	0.422	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-66.6	125.7	177.5	27.9	-33.5	0	0	0	109.8	F388 A397	F388-P390 HydrophobicContact CE1-CB 4.18Å; P390-A397 HydrophobicContact CB-CB 3.89Å
391	R	88.8	Confident	93.3	Very high	30 Å²	30	58.5 Å²	58.5	11%	0.113	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-102	125.9	178.7	-65.1	-171.2	177.6	-80.1	5.1	110.2	T104 V105 N107 E110 K216 Y389 G393 T394 A397	T104-R391 PolarHBondContact O-NE 2.74Å; T104-R391 PolarHBondContact O-NH1 3.14Å; T104-R391 PolarHBondContact O-NH2 2.65Å; V105-R391 PolarHBondContact O-NH2 2.61Å; N107-R391 PolarHBondContact OD1-NH1 3Å; N107-R391 PolarHBondContact OD1-NH2 3.12Å; E110-R391 IonicContact OE2-NH1 2.77Å; E110-R391 PolarHBondContact OE2-NH1 3.32Å; K216-R391 HydrophobicContact CG-CB 3.88Å; K216-R391 VanDerWaalsContact CG-CD 3.46Å; K216-R391 HydrophobicContact CG-CG 4.31Å; Y389-R391 PolarHBondContact O-N 3.33Å; R391-G393 PolarHBondContact O-N 3.3Å; R391-T394 HydrophobicContact CB-CG2 3.91Å; R391-T394 PolarHBondContact O-N 3.44Å; R391-T394 VanDerWaalsContact O-N 3.1Å; R391-T394 PolarHBondContact O-OG1 2.87Å; R391-A397 WeakPolarHBondContact O-CB 3.43Å
392	P	86.4	Confident	93.4	Very high	86 Å²	86	58 Å²	58	56%	0.558	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	126.8	-175.8	-28.9	35.1	0	0	0	113	K216	K216-P392 WeakPolarHBondContact CE-O 3.42Å; K216-P392 PolarHBondContact NZ-O 2.95Å
393	G	87.2	Confident	93.4	Very high	57 Å²	57	59.8 Å²	59.8	59%	0.588	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	9.2	178.3	0	0	0	0	0	115.8	H219 R391	H219-G393 PolarHBondContact CE1-O 3.04Å; R391-G393 PolarHBondContact O-N 3.3Å
394	T	92.8	Very high	93.3	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.018	35%	0.345	C	S	.	.	S	Bend	trans	-90.2	153.1	163.4	68.5	0	0	0	0	110.7	T213 K216 R391 A396 A397	T213-T394 VanDerWaalsContact O-CB 3.32Å; T213-T394 WeakPolarHBondContact O-CB 3.36Å; K216-T394 HydrophobicContact CD-CG2 3.79Å; K216-T394 HydrophobicContact CG-CG2 3.96Å; R391-T394 HydrophobicContact CB-CG2 3.91Å; R391-T394 PolarHBondContact O-N 3.44Å; R391-T394 VanDerWaalsContact O-N 3.1Å; R391-T394 PolarHBondContact O-OG1 2.87Å; T394-A396 VanDerWaalsContact C-N 3.33Å; T394-A396 PolarHBondContact O-N 3.38Å; T394-A397 PolarHBondContact O-N 3.43Å; T394-A397 PolarHBondContact OG1-N 3.38Å
395	P	95.4	Very high	93.4	Very high	69 Å²	69	65.4 Å²	65.4	45%	0.448	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-55.6	-44.4	173.4	-27	33.5	0	0	0	113.3	T213 A397 K398	T213-P395 HydrophobicContact CG2-CB 4.13Å; T213-P395 VanDerWaalsContact O-CD 3.24Å; T213-P395 WeakPolarHBondContact O-CD 3.14Å; P395-A397 PolarHBondContact O-N 2.98Å; P395-A397 VanDerWaalsContact O-N 3.16Å; P395-K398 PolarHBondContact O-N 3.09Å
396	A	95.7	Very high	93.4	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-63.1	-23.4	-178.7	0	0	0	0	0	113.5	T213 F360 P361 F388 T394 K398 M399 Q401	T213-A396 VanDerWaalsContact O-CB 3.27Å; T213-A396 WeakPolarHBondContact O-CB 3.29Å; T213-A396 PolarHBondContact O-N 3.02Å; F360-A396 HydrophobicContact CE2-CB 3.88Å; F360-A396 HydrophobicContact CZ-CB 3.99Å; P361-A396 HydrophobicContact CG-CB 4.44Å; P361-A396 WeakPolarHBondContact CG-O 3.33Å; F388-A396 HydrophobicContact CE2-CB 4.03Å; F388-A396 HydrophobicContact CZ-CB 3.68Å; T394-A396 VanDerWaalsContact C-N 3.33Å; T394-A396 PolarHBondContact O-N 3.38Å; A396-K398 PolarHBondContact O-N 3.26Å; A396-M399 HydrophobicContact CB-SD 4.3Å; A396-M399 PolarHBondContact O-N 3.15Å; A396-Q401 PolarHBondContact O-NE2 2.88Å
397	A	94.5	Very high	93.5	Very high	31 Å²	31	63 Å²	63	26%	0.256	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-70.8	-18.1	174.9	0	0	0	0	0	113.7	P390 R391 T394 P395	P390-A397 HydrophobicContact CB-CB 3.89Å; R391-A397 WeakPolarHBondContact O-CB 3.43Å; T394-A397 PolarHBondContact O-N 3.43Å; T394-A397 PolarHBondContact OG1-N 3.38Å; P395-A397 PolarHBondContact O-N 2.98Å; P395-A397 VanDerWaalsContact O-N 3.16Å
398	K	95.6	Very high	93.7	Very high	186 Å²	186	68 Å²	68	81%	0.809	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-96	-10.5	178	-60.1	-178.7	-179.1	-179.8	0	113.2	P395 A396	P395-K398 PolarHBondContact O-N 3.09Å; A396-K398 PolarHBondContact O-N 3.26Å
399	M	95.8	Very high	93.9	Very high	59 Å²	59	72.1 Å²	72.1	29%	0.291	39%	0.388	S	S	.	.	S	Bend	trans	-74.5	162.2	178.4	-63.8	176.6	72.7	0	0	110.9	D326 F360 P361 A396 Q401	D326-M399 HydrophobicContact CB-CE 4.07Å; F360-M399 HydrophobicContact CE1-CE 4.26Å; F360-M399 HydrophobicContact CE1-SD 4.36Å; F360-M399 HydrophobicContact CZ-SD 4.24Å; P361-M399 HydrophobicContact CB-CB 3.46Å; P361-M399 VanDerWaalsContact CB-CB 3.46Å; P361-M399 HydrophobicContact CB-CE 4.4Å; P361-M399 HydrophobicContact CB-CG 4.46Å; P361-M399 HydrophobicContact CB-SD 4.31Å; P361-M399 HydrophobicContact CG-CB 4.19Å; A396-M399 HydrophobicContact CB-SD 4.3Å; A396-M399 PolarHBondContact O-N 3.15Å; M399-Q401 PolarHBondContact O-N 3.39Å; M399-Q401 PolarHBondContact O-NE2 2.81Å
400	E	94.3	Very high	94.3	Very high	176 Å²	176	67.4 Å²	67.4	82%	0.822	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-65	118.8	176.1	-172.9	171.6	-180	0	0	110.9	P361 G362	P361-E400 WeakPolarHBondContact CA-O 3.3Å; P361-E400 VanDerWaalsContact CB-O 3.3Å; P361-E400 WeakPolarHBondContact CB-O 3.35Å; G362-E400 PolarHBondContact N-O 2.92Å
401	Q	96.6	Very high	94.6	Very high	63 Å²	63	65.6 Å²	65.6	29%	0.294	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-83.8	134.5	-171.5	-60.8	-61	-56.3	0	0	111.3	F388 A396 M399	F388-Q401 VanDerWaalsContact CE1-OE1 3.27Å; A396-Q401 PolarHBondContact O-NE2 2.88Å; M399-Q401 PolarHBondContact O-N 3.39Å; M399-Q401 PolarHBondContact O-NE2 2.81Å
402	V	96.4	Very high	95	Very high	16 Å²	16	70.4 Å²	70.4	10%	0.097	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.3	137.5	165.7	176.8	0	0	0	0	109.4	F360 E363 V406 K407	F360-V402 VanDerWaalsContact O-CG2 3.28Å; F360-V402 WeakPolarHBondContact O-CG2 3.36Å; E363-V402 HydrophobicContact CB-CG2 4.44Å; V402-V406 HydrophobicContact CG1-CB 3.75Å; V402-V406 HydrophobicContact CG1-CG1 3.7Å; V402-K407 HydrophobicContact CB-CG 4.2Å; V402-K407 HydrophobicContact CG1-CG 4Å; V402-K407 WeakPolarHBondContact O-CE 3.11Å
403	P	96.4	Very high	95.6	Very high	71 Å²	71	69.4 Å²	69.4	46%	0.461	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-58.4	141.8	178.4	-27	35.3	0	0	0	113	H405 V406 K407	P403-H405 VanDerWaalsContact C-N 3.26Å; P403-H405 PolarHBondContact O-N 3.32Å; P403-H405 VanDerWaalsContact O-N 3.16Å; P403-V406 HydrophobicContact CB-CG2 4.2Å; P403-V406 HydrophobicContact CG-CG2 4.43Å; P403-V406 WeakPolarHBondContact O-CB 3.32Å; P403-V406 PolarHBondContact O-N 3.46Å; P403-K407 PolarHBondContact O-N 2.87Å; P403-K407 VanDerWaalsContact O-N 3.13Å
404	A	94.4	Very high	96.1	Very high	71 Å²	71	66.7 Å²	66.7	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-57.4	-35.5	-174.5	0	0	0	0	0	113.9	K407 K408	A404-K407 PolarHBondContact O-N 3.23Å; A404-K408 PolarHBondContact O-N 3.34Å
405	H	96.4	Very high	96.3	Very high	135 Å²	135	68.3 Å²	68.3	63%	0.625	35%	0.349	S	S	*	.	H	α-helix	trans	-66.2	-36.9	177.7	72.1	-87.5	0	0	0	112.2	P403 K408 Q409	P403-H405 VanDerWaalsContact C-N 3.26Å; P403-H405 PolarHBondContact O-N 3.32Å; P403-H405 VanDerWaalsContact O-N 3.16Å; H405-K408 PolarHBondContact O-N 3.38Å; H405-Q409 WeakPolarHBondContact O-CB 3.38Å; H405-Q409 PolarHBondContact O-N 3.3Å
406	V	96.8	Very high	96.4	Very high	26 Å²	26	70.1 Å²	70.1	16%	0.158	35%	0.351	C	S	.	.	H	α-helix	trans	-67.2	-45.5	175.4	178.9	0	0	0	0	110	V402 P403 K408 Q409 R410	V402-V406 HydrophobicContact CG1-CB 3.75Å; V402-V406 HydrophobicContact CG1-CG1 3.7Å; P403-V406 HydrophobicContact CB-CG2 4.2Å; P403-V406 HydrophobicContact CG-CG2 4.43Å; P403-V406 WeakPolarHBondContact O-CB 3.32Å; P403-V406 PolarHBondContact O-N 3.46Å; V406-K408 VanDerWaalsContact C-N 3.32Å; V406-K408 PolarHBondContact O-N 3Å; V406-Q409 PolarHBondContact O-N 3.03Å; V406-Q409 VanDerWaalsContact O-N 3.15Å; V406-R410 HydrophobicContact CG1-CG 4.3Å; V406-R410 WeakPolarHBondContact O-CG 3.49Å; V406-R410 PolarHBondContact O-N 2.94Å
407	K	95.3	Very high	96.6	Very high	12 Å²	12	71.7 Å²	71.7	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-55.9	-47.7	175.8	-54.9	-168.5	179.4	169.1	0	111.3	G359 Q387 F388 V402 P403 A404 Q409 R410 T411	G359-K407 WeakPolarHBondContact O-CE 2.94Å; Q387-K407 HydrophobicContact CG-CB 4.01Å; Q387-K407 HydrophobicContact CG-CD 4.22Å; F388-K407 PolarHBondContact O-NZ 3.39Å; F388-K407 VanDerWaalsContact O-NZ 3.17Å; V402-K407 HydrophobicContact CB-CG 4.2Å; V402-K407 HydrophobicContact CG1-CG 4Å; V402-K407 WeakPolarHBondContact O-CE 3.11Å; P403-K407 PolarHBondContact O-N 2.87Å; P403-K407 VanDerWaalsContact O-N 3.13Å; A404-K407 PolarHBondContact O-N 3.23Å; K407-Q409 PolarHBondContact O-N 2.94Å; K407-R410 PolarHBondContact O-N 3.41Å; K407-T411 PolarHBondContact O-N 3.44Å; K407-T411 PolarHBondContact O-OG1 2.63Å
408	K	95.9	Very high	96.7	Very high	152 Å²	152	70.7 Å²	70.7	66%	0.661	35%	0.35	S	S	*	.	H	α-helix	trans	-61.4	-42.2	177.6	-173	176.7	-178.2	178.1	0	112	A404 H405 V406 K412	A404-K408 PolarHBondContact O-N 3.34Å; H405-K408 PolarHBondContact O-N 3.38Å; V406-K408 VanDerWaalsContact C-N 3.32Å; V406-K408 PolarHBondContact O-N 3Å; K408-K412 WeakPolarHBondContact O-CB 3.37Å; K408-K412 PolarHBondContact O-N 3.01Å
409	Q	97.5	Very high	96.7	Very high	95 Å²	95	67.2 Å²	67.2	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-44.8	177.2	-173.6	-175	11.5	0	0	111.8	H405 V406 K407 K412 K413	H405-Q409 WeakPolarHBondContact O-CB 3.38Å; H405-Q409 PolarHBondContact O-N 3.3Å; V406-Q409 PolarHBondContact O-N 3.03Å; V406-Q409 VanDerWaalsContact O-N 3.15Å; K407-Q409 PolarHBondContact O-N 2.94Å; Q409-K412 PolarHBondContact O-N 3.13Å; Q409-K413 WeakPolarHBondContact O-CG 3.41Å; Q409-K413 PolarHBondContact O-N 3.42Å
410	R	97.6	Very high	96.7	Very high	13 Å²	13	68.4 Å²	68.4	5%	0.049	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-50.2	178.2	-72.8	-176.8	-179.6	161.6	1.3	111.7	C358 E363 T364 E365 F368 V406 K407 K412 K413 L414	C358-R410 HydrophobicContact CB-CB 4.28Å; E363-R410 PolarHBondContact O-NH1 2.95Å; E363-R410 PolarHBondContact O-NH2 3.45Å; E363-R410 VanDerWaalsContact OE2-CD 3.29Å; E363-R410 WeakPolarHBondContact OE2-CD 3.13Å; E363-R410 IonicContact OE2-CZ 2.75Å; E363-R410 IonicContact OE2-NE 2.79Å; E363-R410 IonicContact OE2-NH1 3.69Å; E363-R410 PolarHBondContact OE2-NH1 3.34Å; T364-R410 PolarHBondContact O-NH2 2.99Å; T364-R410 VanDerWaalsContact O-NH2 3.09Å; E365-R410 IonicContact OE2-NE 2.79Å; E365-R410 IonicContact OE2-NH2 3.89Å; F368-R410 HydrophobicContact CD1-CB 4.32Å; F368-R410 HydrophobicContact CD1-CG 3.72Å; F368-R410 HydrophobicContact CD2-CB 3.9Å; F368-R410 HydrophobicContact CD2-CG 3.89Å; F368-R410 HydrophobicContact CE1-CB 4.02Å; F368-R410 HydrophobicContact CE1-CG 3.83Å; F368-R410 HydrophobicContact CE2-CB 3.59Å; F368-R410 HydrophobicContact CE2-CG 4.02Å; F368-R410 HydrophobicContact CG-CB 4.26Å; F368-R410 HydrophobicContact CG-CG 3.75Å; F368-R410 HydrophobicContact CZ-CB 3.67Å; F368-R410 HydrophobicContact CZ-CG 4Å; F368-R410 WeakPolarHBondContact CZ-O 3.42Å; V406-R410 HydrophobicContact CG1-CG 4.3Å; V406-R410 WeakPolarHBondContact O-CG 3.49Å; V406-R410 PolarHBondContact O-N 2.94Å; K407-R410 PolarHBondContact O-N 3.41Å; R410-K412 VanDerWaalsContact C-N 3.3Å; R410-K412 PolarHBondContact O-N 3.17Å; R410-K413 PolarHBondContact O-N 3.36Å; R410-L414 PolarHBondContact O-N 2.9Å
411	T	96.7	Very high	96.8	Very high	27 Å²	27	60.7 Å²	60.7	17%	0.166	31%	0.314	C	S	.	.	H	α-helix	trans	-54	-48.3	174.4	-59.4	0	0	0	0	111	I385 K407 L414 S415	I385-T411 HydrophobicContact CG2-CG2 3.96Å; K407-T411 PolarHBondContact O-N 3.44Å; K407-T411 PolarHBondContact O-OG1 2.63Å; T411-L414 PolarHBondContact O-N 2.67Å; T411-S415 WeakPolarHBondContact O-CB 3.4Å; T411-S415 PolarHBondContact O-N 3.43Å; T411-S415 PolarHBondContact O-OG 3.19Å; T411-S415 VanDerWaalsContact O-OG 3.09Å
412	K	97.8	Very high	96.7	Very high	130 Å²	130	61.5 Å²	61.5	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-59.7	-49	178.4	179.5	174.4	170.9	175.5	0	112.3	K408 Q409 R410 L414 S415 E416	K408-K412 WeakPolarHBondContact O-CB 3.37Å; K408-K412 PolarHBondContact O-N 3.01Å; Q409-K412 PolarHBondContact O-N 3.13Å; R410-K412 VanDerWaalsContact C-N 3.3Å; R410-K412 PolarHBondContact O-N 3.17Å; K412-L414 VanDerWaalsContact C-N 3.31Å; K412-L414 PolarHBondContact O-N 3.5Å; K412-S415 PolarHBondContact O-N 2.92Å; K412-E416 WeakPolarHBondContact CE-OE1 3.33Å; K412-E416 HydrophobicContact CG-CG 4.44Å; K412-E416 IonicContact NZ-OE1 3.01Å; K412-E416 WeakPolarHBondContact O-CG 3.27Å; K412-E416 PolarHBondContact O-N 3.17Å
413	K	98.2	Very high	96.5	Very high	66 Å²	66	61.6 Å²	61.6	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-42.2	177.9	-76.5	177.6	176.8	179.6	0	112	E365 F368 Q409 R410 E416 L417	E365-K413 IonicContact OE1-NZ 2.75Å; F368-K413 HydrophobicContact CE1-CB 4.19Å; F368-K413 HydrophobicContact CE1-CD 3.96Å; F368-K413 HydrophobicContact CZ-CB 4.13Å; Q409-K413 WeakPolarHBondContact O-CG 3.41Å; Q409-K413 PolarHBondContact O-N 3.42Å; R410-K413 PolarHBondContact O-N 3.36Å; K413-E416 PolarHBondContact O-N 3.46Å; K413-L417 PolarHBondContact O-N 3.29Å
414	L	98.1	Very high	96.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-38.7	179.7	-171.6	62.3	0	0	0	111.7	I356 C358 F368 L372 V375 I385 R410 T411 K412 L417 F418	I356-L414 HydrophobicContact CB-CD2 4.07Å; I356-L414 HydrophobicContact CD1-CD2 3.96Å; I356-L414 HydrophobicContact CG2-CD2 3.64Å; C358-L414 VanDerWaalsContact SG-CD2 3.59Å; F368-L414 HydrophobicContact CE2-CB 4.38Å; F368-L414 HydrophobicContact CZ-CB 4.32Å; L372-L414 HydrophobicContact CD2-CB 4.38Å; L372-L414 HydrophobicContact CD2-CD1 3.72Å; V375-L414 HydrophobicContact CB-CD1 4.28Å; V375-L414 HydrophobicContact CG1-CD1 4.4Å; V375-L414 HydrophobicContact CG2-CD1 4.01Å; I385-L414 HydrophobicContact CD1-CB 4.27Å; I385-L414 HydrophobicContact CD1-CD2 4.23Å; I385-L414 HydrophobicContact CD1-CG 3.82Å; I385-L414 HydrophobicContact CG1-CD2 3.98Å; I385-L414 HydrophobicContact CG1-CG 4.12Å; I385-L414 HydrophobicContact CG2-CB 4.49Å; I385-L414 HydrophobicContact CG2-CD2 3.91Å; I385-L414 HydrophobicContact CG2-CG 4.43Å; R410-L414 PolarHBondContact O-N 2.9Å; T411-L414 PolarHBondContact O-N 2.67Å; K412-L414 VanDerWaalsContact C-N 3.31Å; K412-L414 PolarHBondContact O-N 3.5Å; L414-L417 HydrophobicContact CD1-CD2 4.45Å; L414-L417 PolarHBondContact O-N 2.94Å; L414-F418 WeakPolarHBondContact O-CB 3.4Å; L414-F418 PolarHBondContact O-N 2.93Å
415	S	97.4	Very high	96.5	Very high	36 Å²	36	59.8 Å²	59.8	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-45	172.5	-64	0	0	0	0	111.6	T411 K412 L417 F418 H419	T411-S415 WeakPolarHBondContact O-CB 3.4Å; T411-S415 PolarHBondContact O-N 3.43Å; T411-S415 PolarHBondContact O-OG 3.19Å; T411-S415 VanDerWaalsContact O-OG 3.09Å; K412-S415 PolarHBondContact O-N 2.92Å; S415-L417 VanDerWaalsContact C-N 3.33Å; S415-L417 PolarHBondContact O-N 2.97Å; S415-F418 WeakPolarHBondContact O-CB 3.5Å; S415-F418 PolarHBondContact O-N 3.42Å; S415-F418 VanDerWaalsContact O-N 3.15Å; S415-H419 PolarHBondContact O-CD2 3.42Å; S415-H419 PolarHBondContact O-N 2.82Å
416	E	98.1	Very high	96.3	Very high	107 Å²	107	59.2 Å²	59.2	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-58.8	-43.9	175	-73.6	169.5	170.9	0	0	111.5	K412 K413 H419 S420	K412-E416 WeakPolarHBondContact CE-OE1 3.33Å; K412-E416 HydrophobicContact CG-CG 4.44Å; K412-E416 IonicContact NZ-OE1 3.01Å; K412-E416 WeakPolarHBondContact O-CG 3.27Å; K412-E416 PolarHBondContact O-N 3.17Å; K413-E416 PolarHBondContact O-N 3.46Å; E416-H419 PolarHBondContact O-N 3.23Å; E416-S420 PolarHBondContact O-N 2.92Å
417	L	98.1	Very high	96.3	Very high	33 Å²	33	58.9 Å²	58.9	17%	0.173	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-46.4	173.5	175.5	62.1	0	0	0	111.3	L372 V375 K376 K413 L414 S415 H419 S420 Y421	L372-L417 HydrophobicContact CB-CD2 4.26Å; L372-L417 HydrophobicContact CD2-CB 4.34Å; L372-L417 HydrophobicContact CD2-CD2 3.68Å; L372-L417 WeakPolarHBondContact O-CD2 2.97Å; V375-L417 HydrophobicContact CB-CD2 4.04Å; V375-L417 HydrophobicContact CG1-CD2 3.95Å; V375-L417 HydrophobicContact CG1-CG 4.29Å; K376-L417 HydrophobicContact CB-CD1 4.31Å; K376-L417 HydrophobicContact CB-CD2 4.3Å; K413-L417 PolarHBondContact O-N 3.29Å; L414-L417 HydrophobicContact CD1-CD2 4.45Å; L414-L417 PolarHBondContact O-N 2.94Å; S415-L417 VanDerWaalsContact C-N 3.33Å; S415-L417 PolarHBondContact O-N 2.97Å; L417-H419 VanDerWaalsContact C-N 3.34Å; L417-H419 PolarHBondContact O-N 3.17Å; L417-S420 WeakPolarHBondContact O-CB 3.48Å; L417-S420 PolarHBondContact O-N 3.4Å; L417-S420 VanDerWaalsContact O-N 3.12Å; L417-S420 PolarHBondContact O-OG 3.06Å; L417-Y421 VanDerWaalsContact O-CD1 3.27Å; L417-Y421 WeakPolarHBondContact O-CD1 3.34Å; L417-Y421 WeakPolarHBondContact O-CE1 3.06Å
418	F	96.9	Very high	96.4	Very high	11 Å²	11	61.7 Å²	61.7	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-45.6	178.1	179.3	-112.6	0	0	0	111.2	F380 L383 I385 L414 S415 S420 Y421 K478 H479	F380-F418 WeakPolarHBondContact O-CE2 3.21Å; L383-F418 HydrophobicContact CB-CD2 3.6Å; L383-F418 HydrophobicContact CB-CE2 3.58Å; L383-F418 HydrophobicContact CB-CG 4.31Å; L383-F418 HydrophobicContact CB-CZ 4.26Å; L383-F418 HydrophobicContact CD2-CB 4.24Å; L383-F418 HydrophobicContact CD2-CD2 3.93Å; L383-F418 HydrophobicContact CD2-CG 4.31Å; L383-F418 HydrophobicContact CG-CD2 4.41Å; I385-F418 HydrophobicContact CD1-CB 4.18Å; L414-F418 WeakPolarHBondContact O-CB 3.4Å; L414-F418 PolarHBondContact O-N 2.93Å; S415-F418 WeakPolarHBondContact O-CB 3.5Å; S415-F418 PolarHBondContact O-N 3.42Å; S415-F418 VanDerWaalsContact O-N 3.15Å; F418-S420 PolarHBondContact O-N 3.4Å; F418-Y421 HydrophobicContact CD2-CE1 4.47Å; F418-Y421 HydrophobicContact CD2-CE2 4.33Å; F418-Y421 AromaticContact CD2-CZ 3.8Å; F418-Y421 WeakPolarHBondContact CD2-OH 3.36Å; F418-Y421 HydrophobicContact CE2-CE2 4.47Å; F418-K478 VanDerWaalsContact CZ-CE 3.48Å; F418-K478 WeakPolarHBondContact O-CE 3.25Å; F418-K478 PolarHBondContact O-NZ 3.17Å; F418-H479 AromaticContact CE1-CE1 3.72Å
419	H	96	Very high	96.4	Very high	112 Å²	112	57.4 Å²	57.4	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-71.6	-13.3	178.2	-68.5	-64.4	0	0	0	114.2	S415 E416 L417 Y421	S415-H419 PolarHBondContact O-CD2 3.42Å; S415-H419 PolarHBondContact O-N 2.82Å; E416-H419 PolarHBondContact O-N 3.23Å; L417-H419 VanDerWaalsContact C-N 3.34Å; L417-H419 PolarHBondContact O-N 3.17Å; H419-Y421 VanDerWaalsContact C-N 3.29Å; H419-Y421 PolarHBondContact O-N 3.01Å
420	S	96.1	Very high	96.4	Very high	85 Å²	85	56 Å²	56	59%	0.594	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.9	-179.4	75.3	0	0	0	0	114.7	E416 L417 F418	E416-S420 PolarHBondContact O-N 2.92Å; L417-S420 WeakPolarHBondContact O-CB 3.48Å; L417-S420 PolarHBondContact O-N 3.4Å; L417-S420 VanDerWaalsContact O-N 3.12Å; L417-S420 PolarHBondContact O-OG 3.06Å; F418-S420 PolarHBondContact O-N 3.4Å
421	Y	95.7	Very high	96.4	Very high	14 Å²	14	61.9 Å²	61.9	6%	0.055	32%	0.323	C	S	.	.			trans	-124.6	150.2	179.3	62.7	-96.3	0	0	0	112.4	V375 Q379 F380 L417 F418 H419 K478	V375-Y421 HydrophobicContact CG1-CE1 4.31Å; Q379-Y421 VanDerWaalsContact C-CE2 3.43Å; Q379-Y421 HydrophobicContact CB-CD2 3.81Å; Q379-Y421 HydrophobicContact CB-CE1 4.49Å; Q379-Y421 HydrophobicContact CB-CE2 3.76Å; Q379-Y421 HydrophobicContact CB-CG 4.21Å; Q379-Y421 HydrophobicContact CG-CD1 4.27Å; Q379-Y421 HydrophobicContact CG-CD2 4.27Å; Q379-Y421 HydrophobicContact CG-CE1 4.46Å; Q379-Y421 HydrophobicContact CG-CE2 4.48Å; Q379-Y421 HydrophobicContact CG-CG 4.15Å; F380-Y421 PolarHBondContact N-OH 2.85Å; F380-Y421 WeakPolarHBondContact O-CE2 3.48Å; F380-Y421 PolarHBondContact O-OH 3.37Å; L417-Y421 VanDerWaalsContact O-CD1 3.27Å; L417-Y421 WeakPolarHBondContact O-CD1 3.34Å; L417-Y421 WeakPolarHBondContact O-CE1 3.06Å; F418-Y421 HydrophobicContact CD2-CE1 4.47Å; F418-Y421 HydrophobicContact CD2-CE2 4.33Å; F418-Y421 AromaticContact CD2-CZ 3.8Å; F418-Y421 WeakPolarHBondContact CD2-OH 3.36Å; F418-Y421 HydrophobicContact CE2-CE2 4.47Å; H419-Y421 VanDerWaalsContact C-N 3.29Å; H419-Y421 PolarHBondContact O-N 3.01Å; Y421-K478 PolarHBondContact O-NZ 3.42Å
422	N	94.5	Very high	96.4	Very high	79 Å²	79	61.4 Å²	61.4	42%	0.422	32%	0.319	S	S	.	.			trans	-112.5	114.4	177.7	-73.1	-60	0	0	0	110.1	Y424 N425	N422-Y424 VanDerWaalsContact C-N 3.35Å; N422-Y424 PolarHBondContact O-N 3.37Å; N422-N425 WeakPolarHBondContact CB-OD1 3.5Å
423	P	92.8	Very high	96.3	Very high	18 Å²	18	60.9 Å²	60.9	12%	0.117	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.9	-174	27.8	-33.7	0	0	0	112.9	P381 H426	P381-P423 HydrophobicContact CB-CB 3.78Å; P381-P423 HydrophobicContact CB-CG 4.09Å; P381-P423 HydrophobicContact CG-CB 3.98Å; P423-H426 PolarHBondContact O-CE1 2.98Å; P423-H426 PolarHBondContact O-ND1 3Å
424	Y	95.2	Very high	96.2	Very high	13 Å²	13	57.7 Å²	57.7	5%	0.051	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	0.8	-166.8	-48.6	-56.2	0	0	0	115.3	P381 N422 H426 K427 E454 M481	P381-Y424 HydrophobicContact CB-CE1 3.93Å; P381-Y424 WeakPolarHBondContact CB-OH 3.33Å; N422-Y424 VanDerWaalsContact C-N 3.35Å; N422-Y424 PolarHBondContact O-N 3.37Å; Y424-H426 PolarHBondContact O-N 3.44Å; Y424-H426 VanDerWaalsContact O-N 3.1Å; Y424-K427 VanDerWaalsContact O-CB 3.23Å; Y424-K427 WeakPolarHBondContact O-CB 2.83Å; Y424-K427 PolarHBondContact O-N 2.69Å; Y424-E454 HydrophobicContact CD1-CG 4.34Å; Y424-E454 WeakPolarHBondContact CD1-OE1 2.95Å; Y424-E454 HydrophobicContact CE1-CB 4.19Å; Y424-E454 HydrophobicContact CE1-CG 3.71Å; Y424-E454 VanDerWaalsContact CE1-OE1 3.31Å; Y424-E454 WeakPolarHBondContact CE1-OE1 3.47Å; Y424-M481 HydrophobicContact CD1-CE 4.31Å; Y424-M481 HydrophobicContact CD2-CG 4.47Å; Y424-M481 HydrophobicContact CG-CE 4.45Å; Y424-M481 HydrophobicContact CG-CG 4.17Å; Y424-M481 HydrophobicContact CG-SD 4.41Å
425	N	94.4	Very high	96.2	Very high	91 Å²	91	57.7 Å²	57.7	49%	0.487	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-57.8	-32.8	-175	-77.9	1	0	0	0	113.5	N422 K427 V428	N422-N425 WeakPolarHBondContact CB-OD1 3.5Å; N425-K427 PolarHBondContact O-N 3.33Å; N425-V428 PolarHBondContact O-N 2.63Å
426	H	94.2	Very high	96.2	Very high	124 Å²	124	56 Å²	56	57%	0.574	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-70.5	-12.2	178.7	69.5	-83.3	0	0	0	113.6	P423 Y424	P423-H426 PolarHBondContact O-CE1 2.98Å; P423-H426 PolarHBondContact O-ND1 3Å; Y424-H426 PolarHBondContact O-N 3.44Å; Y424-H426 VanDerWaalsContact O-N 3.1Å
427	K	95.7	Very high	96	Very high	19 Å²	19	51 Å²	51	8%	0.083	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-85.8	-14.2	179.4	-60.7	-56.8	-162.1	178.1	0	113.9	Y424 N425 G429 E430 I473 M481	Y424-K427 VanDerWaalsContact O-CB 3.23Å; Y424-K427 WeakPolarHBondContact O-CB 2.83Å; Y424-K427 PolarHBondContact O-N 2.69Å; N425-K427 PolarHBondContact O-N 3.33Å; K427-G429 PolarHBondContact O-N 3.38Å; K427-E430 VanDerWaalsContact CD-CD 3.43Å; K427-E430 VanDerWaalsContact CD-OE1 3.3Å; K427-E430 WeakPolarHBondContact CD-OE1 3.3Å; K427-E430 WeakPolarHBondContact CD-OE2 3.37Å; K427-E430 IonicContact NZ-OE1 2.97Å; K427-E430 PolarHBondContact NZ-OE1 3.22Å; K427-E430 IonicContact NZ-OE2 2.61Å; K427-E430 PolarHBondContact NZ-OE2 2.99Å; K427-E430 VanDerWaalsContact O-CB 3.29Å; K427-E430 WeakPolarHBondContact O-CB 3.34Å; K427-E430 PolarHBondContact O-N 2.77Å; K427-I473 WeakPolarHBondContact O-CB 3.4Å; K427-M481 HydrophobicContact CB-SD 3.53Å; K427-M481 VanDerWaalsContact CB-SD 3.53Å; K427-M481 HydrophobicContact CG-SD 3.9Å
428	V	97.3	Very high	95.8	Very high	70 Å²	70	52.6 Å²	52.6	42%	0.424	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	127.6	-179.6	-179.8	0	0	0	0	109.6	N425 A476	N425-V428 PolarHBondContact O-N 2.63Å; V428-A476 HydrophobicContact CG2-CB 3.71Å
429	G	96.6	Very high	95.6	Very high	63 Å²	63	56.1 Å²	56.1	65%	0.649	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-5.3	-174	0	0	0	0	0	114.5	K427 I473	K427-G429 PolarHBondContact O-N 3.38Å; G429-I473 PolarHBondContact N-O 3.29Å
430	E	96.9	Very high	95.4	Very high	65 Å²	65	51.6 Å²	51.6	30%	0.304	27%	0.272	S	S	.	.			trans	-75.2	146.5	171.3	-66.6	-174.4	-168.9	0	0	111.2	K427 Q432 I473	K427-E430 VanDerWaalsContact CD-CD 3.43Å; K427-E430 VanDerWaalsContact CD-OE1 3.3Å; K427-E430 WeakPolarHBondContact CD-OE1 3.3Å; K427-E430 WeakPolarHBondContact CD-OE2 3.37Å; K427-E430 IonicContact NZ-OE1 2.97Å; K427-E430 PolarHBondContact NZ-OE1 3.22Å; K427-E430 IonicContact NZ-OE2 2.61Å; K427-E430 PolarHBondContact NZ-OE2 2.99Å; K427-E430 VanDerWaalsContact O-CB 3.29Å; K427-E430 WeakPolarHBondContact O-CB 3.34Å; K427-E430 PolarHBondContact O-N 2.77Å; E430-Q432 HydrophobicContact CB-CG 4.23Å; E430-Q432 PolarHBondContact OE2-NE2 2.93Å; E430-I473 PolarHBondContact O-N 3.19Å
431	R	97.1	Very high	94.9	Very high	136 Å²	136	55.3 Å²	55.3	51%	0.513	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.6	167.4	-175.2	166.5	-67.4	-171.6	-8.7	109.6	E470 V471 D472 V486	R431-E470 WeakPolarHBondContact CD-OE1 3.42Å; R431-E470 HydrophobicContact CG-CG 3.74Å; R431-V471 WeakPolarHBondContact CA-O 3.09Å; R431-D472 WeakPolarHBondContact CB-OD1 3.44Å; R431-D472 IonicContact CZ-OD1 2.72Å; R431-D472 IonicContact CZ-OD2 2.76Å; R431-D472 IonicContact NE-OD1 3.02Å; R431-D472 PolarHBondContact NE-OD1 3.03Å; R431-D472 IonicContact NE-OD2 2.78Å; R431-D472 IonicContact NH2-OD1 2.73Å; R431-D472 PolarHBondContact NH2-OD1 3.03Å; R431-D472 IonicContact NH2-OD2 3.67Å; R431-D472 PolarHBondContact NH2-OD2 2.97Å; R431-V486 HydrophobicContact CG-CG2 4.47Å
432	Q	96.4	Very high	94.5	Very high	18 Å²	18	58.9 Å²	58.9	8%	0.084	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.3	-173.4	-60.2	-173.2	-13.9	0	0	111.6	E430 N450 E470 V471 I473	E430-Q432 HydrophobicContact CB-CG 4.23Å; E430-Q432 PolarHBondContact OE2-NE2 2.93Å; Q432-N450 PolarHBondContact OE1-ND2 3.4Å; Q432-E470 WeakPolarHBondContact O-CA 3.19Å; Q432-V471 PolarHBondContact N-O 3.03Å; Q432-V471 WeakPolarHBondContact O-CG2 3.15Å; Q432-V471 PolarHBondContact O-N 3.25Å; Q432-I473 HydrophobicContact CG-CG1 4.47Å
433	F	96.6	Very high	94.1	Very high	118 Å²	118	57.4 Å²	57.4	52%	0.518	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.2	165.8	-71.4	-80.4	0	0	0	110.5	N450 M468 I469 E470	F433-N450 WeakPolarHBondContact O-CA 3.5Å; F433-M468 HydrophobicContact CB-CG 4.22Å; F433-M468 HydrophobicContact CB-SD 3.91Å; F433-M468 HydrophobicContact CD1-CG 4.2Å; F433-I469 WeakPolarHBondContact CA-O 3.39Å; F433-E470 HydrophobicContact CD1-CB 4.03Å; F433-E470 HydrophobicContact CD1-CG 4.39Å; F433-E470 HydrophobicContact CE1-CB 3.72Å; F433-E470 HydrophobicContact CE1-CG 4.02Å; F433-E470 HydrophobicContact CZ-CB 4.29Å; F433-E470 HydrophobicContact CZ-CG 4.11Å
434	V	97.2	Very high	94	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137	178.9	-59.3	0	0	0	0	111.5	S448 H449 N450 V456 V458 M468 I469 V471	V434-S448 WeakPolarHBondContact CB-OG 3.19Å; V434-S448 WeakPolarHBondContact CG2-OG 3.41Å; V434-H449 WeakPolarHBondContact CA-O 3.46Å; V434-N450 HydrophobicContact CG1-CB 4Å; V434-V456 HydrophobicContact CG1-CB 3.92Å; V434-V456 HydrophobicContact CG1-CG1 4.16Å; V434-V456 HydrophobicContact CG1-CG2 3.83Å; V434-V458 HydrophobicContact CG2-CG1 4.22Å; V434-M468 WeakPolarHBondContact O-CA 3.17Å; V434-I469 HydrophobicContact CG2-CD1 4.16Å; V434-I469 HydrophobicContact CG2-CG1 3.56Å; V434-I469 PolarHBondContact N-O 3.13Å; V434-I469 PolarHBondContact O-N 3.35Å; V434-V471 HydrophobicContact CG1-CG2 3.8Å; V434-V471 HydrophobicContact CG2-CG1 3.74Å; V434-V471 HydrophobicContact CG2-CG2 3.91Å
435	L	97.4	Very high	93.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121	175.3	-178.5	63.8	0	0	0	109.8	C245 E246 M281 T437 S448 H449 M468 P494	C245-L435 HydrophobicContact CB-CD1 4.36Å; E246-L435 HydrophobicContact CB-CD2 4.21Å; M281-L435 HydrophobicContact CB-CD2 4.19Å; M281-L435 HydrophobicContact CG-CD2 3.94Å; L435-T437 HydrophobicContact CD2-CG2 3.96Å; L435-T437 HydrophobicContact CG-CG2 3.84Å; L435-S448 CarbonylContact O-C 3.45Å; L435-S448 WeakPolarHBondContact O-CA 3.43Å; L435-S448 WeakPolarHBondContact O-CB 3.27Å; L435-H449 PolarHBondContact N-O 2.91Å; L435-H449 PolarHBondContact O-N 3.45Å; L435-M468 HydrophobicContact CB-CE 3.84Å; L435-M468 HydrophobicContact CB-SD 4.15Å; L435-M468 HydrophobicContact CD1-CE 4.31Å; L435-P494 HydrophobicContact CD1-CG 3.8Å
436	V	96.6	Very high	94	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	107.9	-177.1	-172.5	0	0	0	0	110.4	Y446 V458 F464 G466 K467 I469	V436-Y446 VanDerWaalsContact CG1-CB 3.46Å; V436-Y446 HydrophobicContact CG1-CD2 3.96Å; V436-Y446 HydrophobicContact CG1-CG 3.81Å; V436-V458 HydrophobicContact CG2-CG2 4.18Å; V436-F464 WeakPolarHBondContact CB-O 3.24Å; V436-F464 HydrophobicContact CG2-CB 4.38Å; V436-G466 VanDerWaalsContact O-CA 3.32Å; V436-G466 WeakPolarHBondContact O-CA 3.39Å; V436-G466 PolarHBondContact O-N 3.48Å; V436-K467 PolarHBondContact N-O 3.34Å; V436-I469 HydrophobicContact CG2-CD1 3.79Å; V436-I469 HydrophobicContact CG2-CG1 3.96Å
437	T	94.8	Very high	94.1	Very high	1 Å²	1	56 Å²	56	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-22	-177	54.3	0	0	0	0	114.2	N196 I199 E246 L435 V447	N196-T437 PolarHBondContact ND2-O 2.78Å; I199-T437 HydrophobicContact CG1-CG2 4.46Å; E246-T437 HydrophobicContact CB-CG2 4.45Å; E246-T437 WeakPolarHBondContact OE2-CG2 3.45Å; L435-T437 HydrophobicContact CD2-CG2 3.96Å; L435-T437 HydrophobicContact CG-CG2 3.84Å; T437-V447 PolarHBondContact N-O 3.05Å
438	E	94.1	Very high	94.1	Very high	67 Å²	67	55 Å²	55	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	168.6	-167.3	-72	178.7	121.5	0	0	112.5	N196 Y446 V447 H449	N196-E438 WeakPolarHBondContact ND2-CG 3.44Å; E438-Y446 WeakPolarHBondContact O-CA 3.4Å; E438-Y446 WeakPolarHBondContact O-CD1 3.43Å; E438-V447 HydrophobicContact CB-CB 3.8Å; E438-V447 HydrophobicContact CB-CG1 4.22Å; E438-V447 PolarHBondContact N-O 3.17Å; E438-V447 VanDerWaalsContact N-O 3.16Å; E438-V447 PolarHBondContact O-N 3.4Å; E438-H449 IonicContact OE2-CE1 3.79Å
439	E	92.9	Very high	94.2	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.402	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.2	175.8	-172.6	169.8	171.3	0	0	109	A443 Y446 K460	E439-A443 VanDerWaalsContact OE1-CB 3.27Å; E439-A443 WeakPolarHBondContact OE1-CB 3.31Å; E439-Y446 HydrophobicContact CB-CD1 4.25Å; E439-Y446 HydrophobicContact CB-CE1 4.49Å; E439-Y446 HydrophobicContact CG-CD1 4.35Å; E439-Y446 HydrophobicContact CG-CE1 4.43Å; E439-K460 IonicContact OE1-NZ 2.62Å; E439-K460 PolarHBondContact OE1-NZ 3.4Å
440	S	91.1	Very high	94.2	Very high	17 Å²	17	49.5 Å²	49.5	12%	0.119	23%	0.232	C	C	.	.			trans	-67.5	156.2	178.3	60.4	0	0	0	0	111.2	D442 A443 Q444 Y445	S440-D442 VanDerWaalsContact CB-OD1 3.27Å; S440-D442 WeakPolarHBondContact CB-OD1 3.47Å; S440-D442 PolarHBondContact O-N 2.92Å; S440-D442 PolarHBondContact OG-OD1 2.81Å; S440-A443 WeakPolarHBondContact O-CA 3.34Å; S440-A443 PolarHBondContact O-N 3.14Å; S440-Q444 PolarHBondContact OG-N 3.24Å; S440-Y445 PolarHBondContact N-O 2.93Å; S440-Y445 PolarHBondContact OG-N 3.36Å; S440-Y445 PolarHBondContact OG-O 3.48Å; S440-Y445 VanDerWaalsContact OG-O 3.06Å
441	F	85.6	Confident	94.2	Very high	163 Å²	163	49 Å²	49	72%	0.715	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.9	-179.4	-178.6	-98	0	0	0	113.1	E10 A443	E10-F441 HydrophobicContact CB-CE2 4.25Å; F441-A443 PolarHBondContact O-N 3.32Å
442	D	86.9	Confident	94.3	Very high	89 Å²	89	44.2 Å²	44.2	48%	0.476	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.3	175.6	65.5	-1	0	0	0	113.8	S440 Q444	S440-D442 VanDerWaalsContact CB-OD1 3.27Å; S440-D442 WeakPolarHBondContact CB-OD1 3.47Å; S440-D442 PolarHBondContact O-N 2.92Å; S440-D442 PolarHBondContact OG-OD1 2.81Å; D442-Q444 HydrophobicContact CB-CG 4.22Å; D442-Q444 PolarHBondContact O-N 3.03Å; D442-Q444 VanDerWaalsContact O-N 3.08Å; D442-Q444 PolarHBondContact OD1-N 3.47Å; D442-Q444 VanDerWaalsContact OD1-N 3.1Å
443	A	86.8	Confident	94.3	Very high	47 Å²	47	44.5 Å²	44.5	39%	0.388	21%	0.213	S	C	.	.	S	Bend	trans	56.4	17.9	-177.5	0	0	0	0	0	115	E439 S440 F441 K460	E439-A443 VanDerWaalsContact OE1-CB 3.27Å; E439-A443 WeakPolarHBondContact OE1-CB 3.31Å; S440-A443 WeakPolarHBondContact O-CA 3.34Å; S440-A443 PolarHBondContact O-N 3.14Å; F441-A443 PolarHBondContact O-N 3.32Å; A443-K460 WeakPolarHBondContact O-CD 3.14Å; A443-K460 PolarHBondContact O-NZ 3.13Å
444	Q	89.2	Confident	94.4	Very high	125 Å²	125	39.4 Å²	39.4	58%	0.584	19%	0.19	S	C	*	.	S	Bend	trans	-88.1	-30.9	-178.9	-63.9	-166.9	-7.7	0	0	113.2	S440 D442	S440-Q444 PolarHBondContact OG-N 3.24Å; D442-Q444 HydrophobicContact CB-CG 4.22Å; D442-Q444 PolarHBondContact O-N 3.03Å; D442-Q444 VanDerWaalsContact O-N 3.08Å; D442-Q444 PolarHBondContact OD1-N 3.47Å; D442-Q444 VanDerWaalsContact OD1-N 3.1Å
445	Y	94.1	Very high	94.4	Very high	57 Å²	57	42.7 Å²	42.7	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.2	-175.9	-61.4	-87.7	0	0	0	110.6	S440 L457 V458	S440-Y445 PolarHBondContact N-O 2.93Å; S440-Y445 PolarHBondContact OG-N 3.36Å; S440-Y445 PolarHBondContact OG-O 3.48Å; S440-Y445 VanDerWaalsContact OG-O 3.06Å; Y445-L457 HydrophobicContact CD1-CB 4.26Å; Y445-L457 HydrophobicContact CG-CB 4.21Å; Y445-V458 WeakPolarHBondContact CA-O 3.35Å
446	Y	95.9	Very high	94.4	Very high	23 Å²	23	42.7 Å²	42.7	9%	0.09	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.9	155.8	-68.6	-47.8	0	0	0	110.4	V436 E438 E439 L457 V458 K460 R461 F464 K465	V436-Y446 VanDerWaalsContact CG1-CB 3.46Å; V436-Y446 HydrophobicContact CG1-CD2 3.96Å; V436-Y446 HydrophobicContact CG1-CG 3.81Å; E438-Y446 WeakPolarHBondContact O-CA 3.4Å; E438-Y446 WeakPolarHBondContact O-CD1 3.43Å; E439-Y446 HydrophobicContact CB-CD1 4.25Å; E439-Y446 HydrophobicContact CB-CE1 4.49Å; E439-Y446 HydrophobicContact CG-CD1 4.35Å; E439-Y446 HydrophobicContact CG-CE1 4.43Å; Y446-L457 WeakPolarHBondContact O-CA 3.37Å; Y446-V458 PolarHBondContact N-O 3.03Å; Y446-V458 PolarHBondContact O-N 3.47Å; Y446-K460 HydrophobicContact CD1-CG 4.03Å; Y446-K460 HydrophobicContact CD2-CB 4.36Å; Y446-K460 HydrophobicContact CD2-CG 4.05Å; Y446-K460 HydrophobicContact CE1-CD 4.41Å; Y446-K460 HydrophobicContact CE1-CG 4.09Å; Y446-K460 HydrophobicContact CE2-CB 4.15Å; Y446-K460 HydrophobicContact CE2-CG 4.11Å; Y446-K460 HydrophobicContact CG-CG 3.99Å; Y446-R461 WeakPolarHBondContact CE2-O 3.42Å; Y446-F464 HydrophobicContact CD2-CB 4.29Å; Y446-F464 HydrophobicContact CE2-CB 4.46Å; Y446-K465 HydrophobicContact CE2-CB 4.42Å
447	V	96.6	Very high	94.4	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.1	174.1	175.6	0	0	0	0	107	T437 E438 Q455 L457	T437-V447 PolarHBondContact N-O 3.05Å; E438-V447 HydrophobicContact CB-CB 3.8Å; E438-V447 HydrophobicContact CB-CG1 4.22Å; E438-V447 PolarHBondContact N-O 3.17Å; E438-V447 VanDerWaalsContact N-O 3.16Å; E438-V447 PolarHBondContact O-N 3.4Å; V447-Q455 HydrophobicContact CG1-CG 3.83Å; V447-L457 HydrophobicContact CG2-CD2 3.85Å
448	S	96.9	Very high	94.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	159.6	-179	66.2	0	0	0	0	110.7	V434 L435 V456	V434-S448 WeakPolarHBondContact CB-OG 3.19Å; V434-S448 WeakPolarHBondContact CG2-OG 3.41Å; L435-S448 CarbonylContact O-C 3.45Å; L435-S448 WeakPolarHBondContact O-CA 3.43Å; L435-S448 WeakPolarHBondContact O-CB 3.27Å; S448-V456 PolarHBondContact N-O 2.87Å; S448-V456 PolarHBondContact O-N 3.15Å; S448-V456 PolarHBondContact OG-O 2.9Å
449	H	97.9	Very high	94.4	Very high	13 Å²	13	42.4 Å²	42.4	6%	0.06	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.4	-178.6	-65.3	93.1	0	0	0	110.8	Y309 V434 L435 E438 Y453 E454	Y309-H449 HydrophobicContact CE1-CB 4.17Å; V434-H449 WeakPolarHBondContact CA-O 3.46Å; L435-H449 PolarHBondContact N-O 2.91Å; L435-H449 PolarHBondContact O-N 3.45Å; E438-H449 IonicContact OE2-CE1 3.79Å; H449-Y453 HydrophobicContact CB-CD2 4.01Å; H449-Y453 HydrophobicContact CB-CE2 4.18Å; H449-Y453 AromaticContact CD2-CD2 3.97Å; H449-Y453 AromaticContact CD2-CE2 3.85Å; H449-Y453 AromaticContact CD2-CZ 4Å; H449-Y453 AromaticContact CG-CD2 3.99Å; H449-Y453 AromaticContact CG-CE2 3.78Å; H449-Y453 AromaticContact NE2-CZ 3.97Å; H449-E454 WeakPolarHBondContact CA-O 3.38Å
450	N	97.4	Very high	94.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-178.7	171.8	73.9	5.6	0	0	0	111.3	Y309 Q432 F433 V434 F452 Y453 E454 V456	Y309-N450 VanDerWaalsContact CD1-O 3.22Å; Y309-N450 WeakPolarHBondContact CD1-O 2.99Å; Y309-N450 WeakPolarHBondContact CE1-O 3.04Å; Q432-N450 PolarHBondContact OE1-ND2 3.4Å; F433-N450 WeakPolarHBondContact O-CA 3.5Å; V434-N450 HydrophobicContact CG1-CB 4Å; N450-F452 PolarHBondContact O-N 3.1Å; N450-F452 WeakPolarHBondContact OD1-CA 3.4Å; N450-F452 PolarHBondContact OD1-N 3.23Å; N450-Y453 PolarHBondContact O-N 3.33Å; N450-Y453 PolarHBondContact OD1-N 2.88Å; N450-E454 PolarHBondContact N-O 2.76Å; N450-E454 PolarHBondContact ND2-OE2 3.16Å; N450-E454 WeakPolarHBondContact OD1-CB 3.3Å; N450-E454 PolarHBondContact OD1-N 3.27Å; N450-V456 HydrophobicContact CB-CG2 4.5Å
451	K	97.6	Very high	94.2	Very high	55 Å²	55	47.3 Å²	47.3	24%	0.239	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-28.3	176.9	171.7	62.4	-172.8	-177	0	114.3	M281 L303 H305 V308 Y309 A310 Y453	M281-K451 HydrophobicContact CE-CD 4.39Å; L303-K451 PolarHBondContact O-NZ 3.03Å; H305-K451 PolarHBondContact O-NZ 3.44Å; V308-K451 WeakPolarHBondContact O-CE 3.46Å; V308-K451 PolarHBondContact O-NZ 3.44Å; Y309-K451 CarbonylContact C-O 3.51Å; Y309-K451 WeakPolarHBondContact CA-O 3.42Å; A310-K451 HydrophobicContact CB-CG 4.47Å; A310-K451 PolarHBondContact N-O 3.49Å; K451-Y453 VanDerWaalsContact C-N 3.32Å
452	F	97.8	Very high	94.1	Very high	35 Å²	35	44.1 Å²	44.1	15%	0.154	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	11	-177.8	-51.3	-67.3	0	0	0	113	A310 P348 G349 T351 N450 E454	A310-F452 HydrophobicContact CB-CD1 3.7Å; A310-F452 HydrophobicContact CB-CE1 4.04Å; P348-F452 VanDerWaalsContact O-CE1 3.28Å; P348-F452 WeakPolarHBondContact O-CE1 3.18Å; G349-F452 VanDerWaalsContact C-CE1 3.45Å; G349-F452 WeakPolarHBondContact O-CD1 3.46Å; G349-F452 WeakPolarHBondContact O-CE1 3.39Å; G349-F452 WeakPolarHBondContact O-CG 3.19Å; T351-F452 VanDerWaalsContact CB-O 3.24Å; T351-F452 WeakPolarHBondContact CB-O 3.17Å; T351-F452 PolarHBondContact OG1-O 2.95Å; N450-F452 PolarHBondContact O-N 3.1Å; N450-F452 WeakPolarHBondContact OD1-CA 3.4Å; N450-F452 PolarHBondContact OD1-N 3.23Å; F452-E454 HydrophobicContact CB-CG 3.9Å; F452-E454 PolarHBondContact O-N 2.96Å
453	Y	97.6	Very high	94.1	Very high	25 Å²	25	43.3 Å²	43.3	10%	0.098	22%	0.223	C	C	.	.			trans	57.4	28.9	-174.6	-155	-110.5	0	0	0	113.2	E246 W248 R283 Y309 F311 H449 N450 K451	E246-Y453 VanDerWaalsContact OE1-CE2 3.28Å; E246-Y453 WeakPolarHBondContact OE1-CE2 3.33Å; W248-Y453 WeakPolarHBondContact CZ2-OH 3.38Å; R283-Y453 VanDerWaalsContact CD-CZ 3.41Å; R283-Y453 HydrophobicContact CG-CE2 4.36Å; R283-Y453 PolarHBondContact NH1-OH 3.46Å; Y309-Y453 AromaticContact CD1-CD2 3.87Å; Y309-Y453 HydrophobicContact CD1-CD2 3.87Å; Y309-Y453 AromaticContact CD2-CD2 3.59Å; Y309-Y453 HydrophobicContact CD2-CD2 3.59Å; Y309-Y453 HydrophobicContact CD2-CE2 4.13Å; Y309-Y453 HydrophobicContact CD2-CG 4.48Å; Y309-Y453 AromaticContact CE1-CD2 3.86Å; Y309-Y453 HydrophobicContact CE1-CD2 3.86Å; Y309-Y453 AromaticContact CE2-CD2 3.54Å; Y309-Y453 HydrophobicContact CE2-CD2 3.54Å; Y309-Y453 AromaticContact CE2-CE2 3.75Å; Y309-Y453 HydrophobicContact CE2-CE2 3.75Å; Y309-Y453 AromaticContact CG-CD2 3.74Å; Y309-Y453 HydrophobicContact CG-CD2 3.74Å; Y309-Y453 HydrophobicContact CG-CG 4.34Å; Y309-Y453 AromaticContact CZ-CD2 3.68Å; F311-Y453 HydrophobicContact CB-CG 4.42Å; F311-Y453 HydrophobicContact CD1-CD1 4.35Å; F311-Y453 HydrophobicContact CD2-CD1 4.23Å; F311-Y453 HydrophobicContact CE2-CD1 4.39Å; F311-Y453 HydrophobicContact CG-CD1 4.22Å; F311-Y453 HydrophobicContact CG-CG 4.26Å; H449-Y453 HydrophobicContact CB-CD2 4.01Å; H449-Y453 HydrophobicContact CB-CE2 4.18Å; H449-Y453 AromaticContact CD2-CD2 3.97Å; H449-Y453 AromaticContact CD2-CE2 3.85Å; H449-Y453 AromaticContact CD2-CZ 4Å; H449-Y453 AromaticContact CG-CD2 3.99Å; H449-Y453 AromaticContact CG-CE2 3.78Å; H449-Y453 AromaticContact NE2-CZ 3.97Å; N450-Y453 PolarHBondContact O-N 3.33Å; N450-Y453 PolarHBondContact OD1-N 2.88Å; K451-Y453 VanDerWaalsContact C-N 3.32Å
454	E	97.1	Very high	94.3	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.047	21%	0.205	C	C	.	.			trans	-85.2	137.8	175.5	-58.1	169.5	146.6	0	0	109.3	Y424 H449 N450 F452 V456 M481	Y424-E454 HydrophobicContact CD1-CG 4.34Å; Y424-E454 WeakPolarHBondContact CD1-OE1 2.95Å; Y424-E454 HydrophobicContact CE1-CB 4.19Å; Y424-E454 HydrophobicContact CE1-CG 3.71Å; Y424-E454 VanDerWaalsContact CE1-OE1 3.31Å; Y424-E454 WeakPolarHBondContact CE1-OE1 3.47Å; H449-E454 WeakPolarHBondContact CA-O 3.38Å; N450-E454 PolarHBondContact N-O 2.76Å; N450-E454 PolarHBondContact ND2-OE2 3.16Å; N450-E454 WeakPolarHBondContact OD1-CB 3.3Å; N450-E454 PolarHBondContact OD1-N 3.27Å; F452-E454 HydrophobicContact CB-CG 3.9Å; F452-E454 PolarHBondContact O-N 2.96Å; E454-V456 PolarHBondContact O-N 2.95Å; E454-M481 HydrophobicContact CB-CE 3.56Å; E454-M481 HydrophobicContact CG-CE 4.36Å; E454-M481 WeakPolarHBondContact OE2-CE 3.23Å
455	Q	97.4	Very high	94.5	Very high	69 Å²	69	40.2 Å²	40.2	32%	0.322	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123	-177.5	-173.4	174.9	-41	0	0	111.2	V447 F480 M481	V447-Q455 HydrophobicContact CG1-CG 3.83Å; Q455-F480 HydrophobicContact CB-CB 4.42Å; Q455-F480 HydrophobicContact CG-CB 4.31Å; Q455-F480 CarbonylContact O-C 3.57Å; Q455-F480 WeakPolarHBondContact O-CA 3.05Å; Q455-M481 PolarHBondContact O-N 3.17Å
456	V	97.8	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.8	175.8	-175	0	0	0	0	109.3	V434 S448 N450 E454 V458 V471 I473 M481 A483	V434-V456 HydrophobicContact CG1-CB 3.92Å; V434-V456 HydrophobicContact CG1-CG1 4.16Å; V434-V456 HydrophobicContact CG1-CG2 3.83Å; S448-V456 PolarHBondContact N-O 2.87Å; S448-V456 PolarHBondContact O-N 3.15Å; S448-V456 PolarHBondContact OG-O 2.9Å; N450-V456 HydrophobicContact CB-CG2 4.5Å; E454-V456 PolarHBondContact O-N 2.95Å; V456-V458 HydrophobicContact CG1-CG1 4.22Å; V456-V471 HydrophobicContact CG1-CG2 4.42Å; V456-I473 HydrophobicContact CG1-CD1 3.9Å; V456-I473 HydrophobicContact CG2-CD1 4.27Å; V456-M481 CarbonylContact C-O 3.59Å; V456-M481 WeakPolarHBondContact CA-O 3.45Å; V456-M481 HydrophobicContact CG2-CB 4.36Å; V456-M481 HydrophobicContact CG2-CE 3.93Å; V456-A483 HydrophobicContact CG1-CB 3.47Å; V456-A483 VanDerWaalsContact CG1-CB 3.47Å
457	L	97.3	Very high	94.3	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.089	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.9	175.6	-59.2	-178.7	0	0	0	109.8	Y445 Y446 V447 F480 M481 K482 A483	Y445-L457 HydrophobicContact CD1-CB 4.26Å; Y445-L457 HydrophobicContact CG-CB 4.21Å; Y446-L457 WeakPolarHBondContact O-CA 3.37Å; V447-L457 HydrophobicContact CG2-CD2 3.85Å; L457-F480 HydrophobicContact CD1-CB 4.44Å; L457-F480 HydrophobicContact CD1-CD2 3.69Å; L457-F480 HydrophobicContact CD1-CE2 4.13Å; L457-F480 HydrophobicContact CD1-CG 4.02Å; L457-F480 HydrophobicContact CG-CB 4.34Å; L457-F480 HydrophobicContact CG-CD2 4.19Å; L457-F480 HydrophobicContact CG-CG 4.42Å; L457-M481 PolarHBondContact N-O 3.37Å; L457-K482 HydrophobicContact CB-CG 4.27Å; L457-K482 HydrophobicContact CD1-CG 4.42Å; L457-K482 WeakPolarHBondContact O-CA 3.26Å; L457-A483 PolarHBondContact O-N 3.05Å
458	V	95.6	Very high	94.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.8	179.5	-59.8	0	0	0	0	110.8	V434 V436 Y445 Y446 V456 I469 V471 A483	V434-V458 HydrophobicContact CG2-CG1 4.22Å; V436-V458 HydrophobicContact CG2-CG2 4.18Å; Y445-V458 WeakPolarHBondContact CA-O 3.35Å; Y446-V458 PolarHBondContact N-O 3.03Å; Y446-V458 PolarHBondContact O-N 3.47Å; V456-V458 HydrophobicContact CG1-CG1 4.22Å; V458-I469 HydrophobicContact CB-CD1 4.34Å; V458-I469 HydrophobicContact CG1-CD1 4.2Å; V458-I469 HydrophobicContact CG2-CD1 4.18Å; V458-V471 HydrophobicContact CG1-CG1 4.03Å; V458-A483 HydrophobicContact CG1-CB 4.44Å
459	P	92.5	Very high	94.2	Very high	45 Å²	45	40 Å²	40	29%	0.292	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	140.2	176	-24.2	33.3	0	0	0	111.9	R461 A483	P459-R461 PolarHBondContact O-N 3Å; P459-A483 WeakPolarHBondContact CD-O 3.43Å
460	K	91.2	Very high	94.1	Very high	85 Å²	85	41.5 Å²	41.5	37%	0.37	21%	0.208	S	C	.	.			trans	-69.3	116.2	178.8	-72	176.8	63.4	178.2	0	111.1	E439 A443 Y446	E439-K460 IonicContact OE1-NZ 2.62Å; E439-K460 PolarHBondContact OE1-NZ 3.4Å; A443-K460 WeakPolarHBondContact O-CD 3.14Å; A443-K460 PolarHBondContact O-NZ 3.13Å; Y446-K460 HydrophobicContact CD1-CG 4.03Å; Y446-K460 HydrophobicContact CD2-CB 4.36Å; Y446-K460 HydrophobicContact CD2-CG 4.05Å; Y446-K460 HydrophobicContact CE1-CD 4.41Å; Y446-K460 HydrophobicContact CE1-CG 4.09Å; Y446-K460 HydrophobicContact CE2-CB 4.15Å; Y446-K460 HydrophobicContact CE2-CG 4.11Å; Y446-K460 HydrophobicContact CG-CG 3.99Å
461	R	89.3	Confident	94.1	Very high	121 Å²	121	41.3 Å²	41.3	46%	0.457	21%	0.208	S	C	.	.			trans	-131	130.9	164.3	-55.5	-170.2	-178.9	165.4	-4	108.4	Y446 P459 D463 F464	Y446-R461 WeakPolarHBondContact CE2-O 3.42Å; P459-R461 PolarHBondContact O-N 3Å; R461-D463 WeakPolarHBondContact CB-OD1 3.27Å; R461-D463 PolarHBondContact O-N 3.3Å; R461-F464 HydrophobicContact CB-CD1 4.21Å; R461-F464 HydrophobicContact CB-CD2 3.91Å; R461-F464 HydrophobicContact CB-CE1 4.3Å; R461-F464 HydrophobicContact CB-CE2 4.01Å; R461-F464 HydrophobicContact CB-CG 4.04Å; R461-F464 HydrophobicContact CB-CZ 4.23Å; R461-F464 HydrophobicContact CG-CD2 4.19Å; R461-F464 HydrophobicContact CG-CE2 3.85Å; R461-F464 HydrophobicContact CG-CZ 4.13Å; R461-F464 WeakPolarHBondContact O-CB 3.32Å; R461-F464 PolarHBondContact O-N 3.16Å
462	A	82.4	Confident	94.1	Very high	97 Å²	97	41.3 Å²	41.3	80%	0.802	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	-170.4	0	0	0	0	0	113.2	F464	A462-F464 VanDerWaalsContact C-N 3.3Å; A462-F464 PolarHBondContact O-N 2.98Å
463	D	87.4	Confident	94.1	Very high	71 Å²	71	39.8 Å²	39.8	38%	0.38	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.7	178.9	65.8	-46.3	0	0	0	114.5	R461 K467	R461-D463 WeakPolarHBondContact CB-OD1 3.27Å; R461-D463 PolarHBondContact O-N 3.3Å; D463-K467 WeakPolarHBondContact O-CD 3.19Å; D463-K467 WeakPolarHBondContact O-CE 3.41Å; D463-K467 PolarHBondContact O-NZ 2.97Å
464	F	92	Very high	94.1	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.022	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-29.1	-176.9	-70.2	-4	0	0	0	114.2	V436 Y446 R461 A462 G466 K467 I469 P485 P491	V436-F464 WeakPolarHBondContact CB-O 3.24Å; V436-F464 HydrophobicContact CG2-CB 4.38Å; Y446-F464 HydrophobicContact CD2-CB 4.29Å; Y446-F464 HydrophobicContact CE2-CB 4.46Å; R461-F464 HydrophobicContact CB-CD1 4.21Å; R461-F464 HydrophobicContact CB-CD2 3.91Å; R461-F464 HydrophobicContact CB-CE1 4.3Å; R461-F464 HydrophobicContact CB-CE2 4.01Å; R461-F464 HydrophobicContact CB-CG 4.04Å; R461-F464 HydrophobicContact CB-CZ 4.23Å; R461-F464 HydrophobicContact CG-CD2 4.19Å; R461-F464 HydrophobicContact CG-CE2 3.85Å; R461-F464 HydrophobicContact CG-CZ 4.13Å; R461-F464 WeakPolarHBondContact O-CB 3.32Å; R461-F464 PolarHBondContact O-N 3.16Å; A462-F464 VanDerWaalsContact C-N 3.3Å; A462-F464 PolarHBondContact O-N 2.98Å; F464-G466 PolarHBondContact O-N 3.34Å; F464-K467 WeakPolarHBondContact O-CB 3.36Å; F464-K467 PolarHBondContact O-N 2.94Å; F464-I469 HydrophobicContact CD1-CG2 4.1Å; F464-I469 HydrophobicContact CD2-CD1 3.83Å; F464-I469 HydrophobicContact CE1-CG2 4.4Å; F464-I469 HydrophobicContact CE2-CD1 4.03Å; F464-I469 HydrophobicContact CG-CD1 4.17Å; F464-I469 HydrophobicContact CG-CG2 4.38Å; F464-P485 HydrophobicContact CE2-CB 3.95Å; F464-P485 HydrophobicContact CE2-CG 3.98Å; F464-P485 HydrophobicContact CZ-CB 3.69Å; F464-P485 HydrophobicContact CZ-CG 3.94Å; F464-P491 HydrophobicContact CD1-CG 4Å; F464-P491 HydrophobicContact CE1-CG 3.88Å
465	K	91.9	Very high	94.1	Very high	102 Å²	102	45.3 Å²	45.3	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	128.9	-174.4	-173.6	169.9	-177.3	175	0	110.9	L198 Y446 K467	L198-K465 HydrophobicContact CD1-CG 3.9Å; Y446-K465 HydrophobicContact CE2-CB 4.42Å; K465-K467 VanDerWaalsContact C-N 3.31Å
466	G	93	Very high	94.1	Very high	7 Å²	7	43 Å²	43	7%	0.072	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	13.7	-176.1	0	0	0	0	0	114.5	V436 F464 P494	V436-G466 VanDerWaalsContact O-CA 3.32Å; V436-G466 WeakPolarHBondContact O-CA 3.39Å; V436-G466 PolarHBondContact O-N 3.48Å; F464-G466 PolarHBondContact O-N 3.34Å; G466-P494 VanDerWaalsContact O-CD 3.23Å; G466-P494 WeakPolarHBondContact O-CD 3.42Å
467	K	93.8	Very high	93.9	Very high	50 Å²	50	43.6 Å²	43.6	22%	0.217	23%	0.227	C	C	.	.			trans	-119	153.1	-178.1	-57.8	-163.4	-166.3	157.9	0	112.8	V436 D463 F464 K465 P491 F492 T493	V436-K467 PolarHBondContact N-O 3.34Å; D463-K467 WeakPolarHBondContact O-CD 3.19Å; D463-K467 WeakPolarHBondContact O-CE 3.41Å; D463-K467 PolarHBondContact O-NZ 2.97Å; F464-K467 WeakPolarHBondContact O-CB 3.36Å; F464-K467 PolarHBondContact O-N 2.94Å; K465-K467 VanDerWaalsContact C-N 3.31Å; K467-P491 HydrophobicContact CB-CB 4.13Å; K467-P491 HydrophobicContact CD-CB 3.57Å; K467-F492 CarbonylContact C-O 3.52Å; K467-F492 WeakPolarHBondContact CA-O 3.35Å; K467-F492 WeakPolarHBondContact CB-O 3.43Å; K467-T493 WeakPolarHBondContact CE-OG1 3.48Å
468	M	95.3	Very high	93.7	Very high	24 Å²	24	44.1 Å²	44.1	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.3	166.4	-170.8	69.8	68.6	0	0	108.4	G279 M281 F433 V434 L435 F492 P494	G279-M468 WeakPolarHBondContact O-CE 3.33Å; M281-M468 HydrophobicContact CG-CE 4.33Å; M281-M468 HydrophobicContact SD-CE 4.49Å; F433-M468 HydrophobicContact CB-CG 4.22Å; F433-M468 HydrophobicContact CB-SD 3.91Å; F433-M468 HydrophobicContact CD1-CG 4.2Å; V434-M468 WeakPolarHBondContact O-CA 3.17Å; L435-M468 HydrophobicContact CB-CE 3.84Å; L435-M468 HydrophobicContact CB-SD 4.15Å; L435-M468 HydrophobicContact CD1-CE 4.31Å; M468-F492 HydrophobicContact CB-CB 4.34Å; M468-F492 HydrophobicContact CB-CD1 4.1Å; M468-F492 PolarHBondContact N-O 3.41Å; M468-F492 PolarHBondContact O-N 3.34Å; M468-P494 HydrophobicContact CB-CG 4.45Å
469	I	95.3	Very high	93.6	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.4	-180	60.4	172.6	0	0	0	110.9	F433 V434 V436 V458 F464 V471 P491	F433-I469 WeakPolarHBondContact CA-O 3.39Å; V434-I469 HydrophobicContact CG2-CD1 4.16Å; V434-I469 HydrophobicContact CG2-CG1 3.56Å; V434-I469 PolarHBondContact N-O 3.13Å; V434-I469 PolarHBondContact O-N 3.35Å; V436-I469 HydrophobicContact CG2-CD1 3.79Å; V436-I469 HydrophobicContact CG2-CG1 3.96Å; V458-I469 HydrophobicContact CB-CD1 4.34Å; V458-I469 HydrophobicContact CG1-CD1 4.2Å; V458-I469 HydrophobicContact CG2-CD1 4.18Å; F464-I469 HydrophobicContact CD1-CG2 4.1Å; F464-I469 HydrophobicContact CD2-CD1 3.83Å; F464-I469 HydrophobicContact CE1-CG2 4.4Å; F464-I469 HydrophobicContact CE2-CD1 4.03Å; F464-I469 HydrophobicContact CG-CD1 4.17Å; F464-I469 HydrophobicContact CG-CG2 4.38Å; I469-V471 HydrophobicContact CD1-CG1 3.84Å; I469-V471 HydrophobicContact CG1-CG1 3.86Å; I469-P491 HydrophobicContact CG2-CB 3.76Å; I469-P491 HydrophobicContact CG2-CG 4Å
470	E	96.8	Very high	93.7	Very high	45 Å²	45	48.6 Å²	48.6	21%	0.21	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.6	171.3	-162.1	178.1	-154.2	0	0	109.8	R431 Q432 F433 V486 S489	R431-E470 WeakPolarHBondContact CD-OE1 3.42Å; R431-E470 HydrophobicContact CG-CG 3.74Å; Q432-E470 WeakPolarHBondContact O-CA 3.19Å; F433-E470 HydrophobicContact CD1-CB 4.03Å; F433-E470 HydrophobicContact CD1-CG 4.39Å; F433-E470 HydrophobicContact CE1-CB 3.72Å; F433-E470 HydrophobicContact CE1-CG 4.02Å; F433-E470 HydrophobicContact CZ-CB 4.29Å; F433-E470 HydrophobicContact CZ-CG 4.11Å; E470-V486 HydrophobicContact CB-CB 4.47Å; E470-V486 HydrophobicContact CB-CG2 4.26Å; E470-V486 HydrophobicContact CG-CG2 3.99Å; E470-V486 PolarHBondContact O-N 3.13Å; E470-S489 VanDerWaalsContact CB-OG 3.29Å; E470-S489 WeakPolarHBondContact CB-OG 3.18Å
471	V	97.1	Very high	94	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.1	-174.5	-57.6	0	0	0	0	111.8	R431 Q432 V434 V456 V458 I469 I473 A483 R484	R431-V471 WeakPolarHBondContact CA-O 3.09Å; Q432-V471 PolarHBondContact N-O 3.03Å; Q432-V471 WeakPolarHBondContact O-CG2 3.15Å; Q432-V471 PolarHBondContact O-N 3.25Å; V434-V471 HydrophobicContact CG1-CG2 3.8Å; V434-V471 HydrophobicContact CG2-CG1 3.74Å; V434-V471 HydrophobicContact CG2-CG2 3.91Å; V456-V471 HydrophobicContact CG1-CG2 4.42Å; V458-V471 HydrophobicContact CG1-CG1 4.03Å; I469-V471 HydrophobicContact CD1-CG1 3.84Å; I469-V471 HydrophobicContact CG1-CG1 3.86Å; V471-I473 HydrophobicContact CG2-CD1 4.21Å; V471-A483 HydrophobicContact CB-CB 3.59Å; V471-A483 HydrophobicContact CG1-CB 4.34Å; V471-A483 HydrophobicContact CG2-CB 3.53Å; V471-R484 CarbonylContact C-O 3.59Å; V471-R484 VanDerWaalsContact CA-O 3.26Å; V471-R484 WeakPolarHBondContact CA-O 3.45Å; V471-R484 WeakPolarHBondContact CB-O 3.45Å
472	D	97.7	Very high	94.4	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.6	170.2	-69.7	-42.6	0	0	0	109.2	R431 Y474 A483 R484	R431-D472 WeakPolarHBondContact CB-OD1 3.44Å; R431-D472 IonicContact CZ-OD1 2.72Å; R431-D472 IonicContact CZ-OD2 2.76Å; R431-D472 IonicContact NE-OD1 3.02Å; R431-D472 PolarHBondContact NE-OD1 3.03Å; R431-D472 IonicContact NE-OD2 2.78Å; R431-D472 IonicContact NH2-OD1 2.73Å; R431-D472 PolarHBondContact NH2-OD1 3.03Å; R431-D472 IonicContact NH2-OD2 3.67Å; R431-D472 PolarHBondContact NH2-OD2 2.97Å; D472-Y474 PolarHBondContact O-N 3.01Å; D472-A483 CarbonylContact O-C 3.57Å; D472-A483 VanDerWaalsContact O-CA 3.25Å; D472-A483 WeakPolarHBondContact O-CA 3.07Å; D472-A483 WeakPolarHBondContact O-CB 3.3Å; D472-R484 PolarHBondContact N-O 3.19Å; D472-R484 PolarHBondContact O-N 3.33Å
473	I	98.1	Very high	95.1	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.2	178.9	-52.6	-55	0	0	0	109.4	K427 G429 E430 Q432 V456 V471 M481 A483	K427-I473 WeakPolarHBondContact O-CB 3.4Å; G429-I473 PolarHBondContact N-O 3.29Å; E430-I473 PolarHBondContact O-N 3.19Å; Q432-I473 HydrophobicContact CG-CG1 4.47Å; V456-I473 HydrophobicContact CG1-CD1 3.9Å; V456-I473 HydrophobicContact CG2-CD1 4.27Å; V471-I473 HydrophobicContact CG2-CD1 4.21Å; I473-M481 HydrophobicContact CD1-CB 4.46Å; I473-M481 HydrophobicContact CD1-SD 4.44Å; I473-M481 HydrophobicContact CG1-SD 4.43Å; I473-M481 HydrophobicContact CG2-CB 4.06Å; I473-M481 HydrophobicContact CG2-CG 4.3Å; I473-M481 HydrophobicContact CG2-SD 4.11Å; I473-A483 HydrophobicContact CD1-CB 3.64Å
474	Y	97.4	Very high	95.5	Very high	77 Å²	77	39.9 Å²	39.9	30%	0.302	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-15.1	-179.9	70.9	-93.8	0	0	0	114.3	D472 K482 R484	D472-Y474 PolarHBondContact O-N 3.01Å; Y474-K482 HydrophobicContact CD1-CB 4.42Å; Y474-K482 WeakPolarHBondContact CD1-O 3.47Å; Y474-K482 HydrophobicContact CE1-CB 3.68Å; Y474-K482 HydrophobicContact CE2-CB 3.98Å; Y474-K482 HydrophobicContact CE2-CD 4.29Å; Y474-K482 VanDerWaalsContact CZ-CB 3.41Å; Y474-K482 PolarHBondContact N-O 3.01Å; Y474-K482 WeakPolarHBondContact OH-CB 3.46Å; Y474-K482 WeakPolarHBondContact OH-CD 3.47Å; Y474-R484 HydrophobicContact CD1-CG 3.66Å; Y474-R484 HydrophobicContact CE1-CG 3.72Å
475	E	97.3	Very high	95.6	Very high	73 Å²	73	40.6 Å²	40.6	34%	0.341	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.8	-179.7	-170.1	-173.3	136.8	0	0	109.6	M481 K482	E475-M481 CarbonylContact O-C 3.55Å; E475-M481 WeakPolarHBondContact O-CA 3.45Å; E475-K482 HydrophobicContact CB-CB 4.14Å; E475-K482 HydrophobicContact CB-CG 4.42Å; E475-K482 VanDerWaalsContact CD-NZ 3.26Å; E475-K482 PolarHBondContact N-O 3.06Å; E475-K482 PolarHBondContact O-N 2.7Å; E475-K482 IonicContact OE1-NZ 2.7Å; E475-K482 PolarHBondContact OE1-NZ 2.79Å; E475-K482 IonicContact OE2-NZ 3.21Å; E475-K482 PolarHBondContact OE2-NZ 3.14Å
476	A	96.8	Very high	95.7	Very high	21 Å²	21	36.6 Å²	36.6	17%	0.174	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.5	173.3	0	0	0	0	0	109.3	V428 M481	V428-A476 HydrophobicContact CG2-CB 3.71Å; A476-M481 HydrophobicContact CB-CG 4.33Å
477	G	94.2	Very high	95.2	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	21%	0.211	C	C	.	.			trans	-105.2	-172.7	168.9	0	0	0	0	0	111.4	F480	G477-F480 CarbonylContact C-O 3.59Å; G477-F480 WeakPolarHBondContact CA-O 3.47Å; G477-F480 PolarHBondContact N-O 3.02Å
478	K	92.8	Very high	94.4	Very high	27 Å²	27	50.2 Å²	50.2	12%	0.117	24%	0.241	C	C	.	.	S	Bend	trans	-66.5	-39.8	179.4	178.4	57.9	-177.7	165.3	0	112.9	F418 Y421	F418-K478 VanDerWaalsContact CZ-CE 3.48Å; F418-K478 WeakPolarHBondContact O-CE 3.25Å; F418-K478 PolarHBondContact O-NZ 3.17Å; Y421-K478 PolarHBondContact O-NZ 3.42Å
479	H	93.6	Very high	93.8	Very high	79 Å²	79	50.6 Å²	50.6	37%	0.366	25%	0.246	S	C	.	.	S	Bend	trans	-117.3	-8.4	-171.3	-61.4	-78	0	0	0	113.8	F418	F418-H479 AromaticContact CE1-CE1 3.72Å
480	F	95.3	Very high	93.2	Very high	60 Å²	60	59.2 Å²	59.2	26%	0.263	28%	0.283	S	S	.	.			trans	-148.3	164.7	-174	65.5	-93.1	0	0	0	110.6	Q455 L457 G477 K482	Q455-F480 HydrophobicContact CB-CB 4.42Å; Q455-F480 HydrophobicContact CG-CB 4.31Å; Q455-F480 CarbonylContact O-C 3.57Å; Q455-F480 WeakPolarHBondContact O-CA 3.05Å; L457-F480 HydrophobicContact CD1-CB 4.44Å; L457-F480 HydrophobicContact CD1-CD2 3.69Å; L457-F480 HydrophobicContact CD1-CE2 4.13Å; L457-F480 HydrophobicContact CD1-CG 4.02Å; L457-F480 HydrophobicContact CG-CB 4.34Å; L457-F480 HydrophobicContact CG-CD2 4.19Å; L457-F480 HydrophobicContact CG-CG 4.42Å; G477-F480 CarbonylContact C-O 3.59Å; G477-F480 WeakPolarHBondContact CA-O 3.47Å; G477-F480 PolarHBondContact N-O 3.02Å; F480-K482 HydrophobicContact CD2-CG 4.06Å; F480-K482 HydrophobicContact CE2-CD 4.39Å; F480-K482 HydrophobicContact CE2-CG 3.84Å
481	M	97.3	Very high	92.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	160.2	162.4	-67.4	174.1	-83.8	0	0	109.5	Y424 K427 E454 Q455 V456 L457 I473 E475 A476	Y424-M481 HydrophobicContact CD1-CE 4.31Å; Y424-M481 HydrophobicContact CD2-CG 4.47Å; Y424-M481 HydrophobicContact CG-CE 4.45Å; Y424-M481 HydrophobicContact CG-CG 4.17Å; Y424-M481 HydrophobicContact CG-SD 4.41Å; K427-M481 HydrophobicContact CB-SD 3.53Å; K427-M481 VanDerWaalsContact CB-SD 3.53Å; K427-M481 HydrophobicContact CG-SD 3.9Å; E454-M481 HydrophobicContact CB-CE 3.56Å; E454-M481 HydrophobicContact CG-CE 4.36Å; E454-M481 WeakPolarHBondContact OE2-CE 3.23Å; Q455-M481 PolarHBondContact O-N 3.17Å; V456-M481 CarbonylContact C-O 3.59Å; V456-M481 WeakPolarHBondContact CA-O 3.45Å; V456-M481 HydrophobicContact CG2-CB 4.36Å; V456-M481 HydrophobicContact CG2-CE 3.93Å; L457-M481 PolarHBondContact N-O 3.37Å; I473-M481 HydrophobicContact CD1-CB 4.46Å; I473-M481 HydrophobicContact CD1-SD 4.44Å; I473-M481 HydrophobicContact CG1-SD 4.43Å; I473-M481 HydrophobicContact CG2-CB 4.06Å; I473-M481 HydrophobicContact CG2-CG 4.3Å; I473-M481 HydrophobicContact CG2-SD 4.11Å; E475-M481 CarbonylContact O-C 3.55Å; E475-M481 WeakPolarHBondContact O-CA 3.45Å; A476-M481 HydrophobicContact CB-CG 4.33Å
482	K	97.4	Very high	92.3	Very high	37 Å²	37	63 Å²	63	16%	0.161	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.2	167.3	-54.4	-174.9	-177.6	135.9	0	109.9	L457 Y474 E475 F480	L457-K482 HydrophobicContact CB-CG 4.27Å; L457-K482 HydrophobicContact CD1-CG 4.42Å; L457-K482 WeakPolarHBondContact O-CA 3.26Å; Y474-K482 HydrophobicContact CD1-CB 4.42Å; Y474-K482 WeakPolarHBondContact CD1-O 3.47Å; Y474-K482 HydrophobicContact CE1-CB 3.68Å; Y474-K482 HydrophobicContact CE2-CB 3.98Å; Y474-K482 HydrophobicContact CE2-CD 4.29Å; Y474-K482 VanDerWaalsContact CZ-CB 3.41Å; Y474-K482 PolarHBondContact N-O 3.01Å; Y474-K482 WeakPolarHBondContact OH-CB 3.46Å; Y474-K482 WeakPolarHBondContact OH-CD 3.47Å; E475-K482 HydrophobicContact CB-CB 4.14Å; E475-K482 HydrophobicContact CB-CG 4.42Å; E475-K482 VanDerWaalsContact CD-NZ 3.26Å; E475-K482 PolarHBondContact N-O 3.06Å; E475-K482 PolarHBondContact O-N 2.7Å; E475-K482 IonicContact OE1-NZ 2.7Å; E475-K482 PolarHBondContact OE1-NZ 2.79Å; E475-K482 IonicContact OE2-NZ 3.21Å; E475-K482 PolarHBondContact OE2-NZ 3.14Å; F480-K482 HydrophobicContact CD2-CG 4.06Å; F480-K482 HydrophobicContact CE2-CD 4.39Å; F480-K482 HydrophobicContact CE2-CG 3.84Å
483	A	97.4	Very high	91.8	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156	-176.6	0	0	0	0	0	112.3	V456 L457 V458 P459 V471 D472 I473	V456-A483 HydrophobicContact CG1-CB 3.47Å; V456-A483 VanDerWaalsContact CG1-CB 3.47Å; L457-A483 PolarHBondContact O-N 3.05Å; V458-A483 HydrophobicContact CG1-CB 4.44Å; P459-A483 WeakPolarHBondContact CD-O 3.43Å; V471-A483 HydrophobicContact CB-CB 3.59Å; V471-A483 HydrophobicContact CG1-CB 4.34Å; V471-A483 HydrophobicContact CG2-CB 3.53Å; D472-A483 CarbonylContact O-C 3.57Å; D472-A483 VanDerWaalsContact O-CA 3.25Å; D472-A483 WeakPolarHBondContact O-CA 3.07Å; D472-A483 WeakPolarHBondContact O-CB 3.3Å; I473-A483 HydrophobicContact CD1-CB 3.64Å
484	R	95.2	Very high	91.1	Very high	154 Å²	154	64 Å²	64	58%	0.581	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.5	171.8	-68.3	171.5	-167.6	173.3	3.1	108.5	V471 D472 Y474	V471-R484 CarbonylContact C-O 3.59Å; V471-R484 VanDerWaalsContact CA-O 3.26Å; V471-R484 WeakPolarHBondContact CA-O 3.45Å; V471-R484 WeakPolarHBondContact CB-O 3.45Å; D472-R484 PolarHBondContact N-O 3.19Å; D472-R484 PolarHBondContact O-N 3.33Å; Y474-R484 HydrophobicContact CD1-CG 3.66Å; Y474-R484 HydrophobicContact CE1-CG 3.72Å
485	P	94.5	Very high	90.2	Very high	20 Å²	20	61.3 Å²	61.3	13%	0.13	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.1	174.7	28.8	-34.7	0	0	0	110	F464 E487	F464-P485 HydrophobicContact CE2-CB 3.95Å; F464-P485 HydrophobicContact CE2-CG 3.98Å; F464-P485 HydrophobicContact CZ-CB 3.69Å; F464-P485 HydrophobicContact CZ-CG 3.94Å; P485-E487 PolarHBondContact O-N 3.23Å
486	V	93.6	Very high	89.4	Confident	19 Å²	19	63.9 Å²	63.9	12%	0.115	32%	0.318	C	S	.	.			trans	-70.2	123.7	172.5	179.8	0	0	0	0	108.3	R431 E470 D488 S489	R431-V486 HydrophobicContact CG-CG2 4.47Å; E470-V486 HydrophobicContact CB-CB 4.47Å; E470-V486 HydrophobicContact CB-CG2 4.26Å; E470-V486 HydrophobicContact CG-CG2 3.99Å; E470-V486 PolarHBondContact O-N 3.13Å; V486-D488 VanDerWaalsContact C-N 3.28Å; V486-D488 PolarHBondContact O-N 3.44Å; V486-S489 PolarHBondContact O-N 3.36Å; V486-S489 VanDerWaalsContact O-N 3.16Å
487	E	81.9	Confident	88.8	Confident	185 Å²	185	64.7 Å²	64.7	86%	0.864	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.7	-169.5	-65.8	-172.2	166.6	0	0	113.8	P485	P485-E487 PolarHBondContact O-N 3.23Å
488	D	78.6	Confident	88.4	Confident	157 Å²	157	72.7 Å²	72.7	84%	0.84	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.9	-177.8	-62.9	-44.6	0	0	0	114	V486 K490	V486-D488 VanDerWaalsContact C-N 3.28Å; V486-D488 PolarHBondContact O-N 3.44Å; D488-K490 PolarHBondContact O-N 2.7Å
489	S	80.9	Confident	88	Confident	32 Å²	32	74 Å²	74	22%	0.224	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-80.1	123.3	-178.5	173.6	0	0	0	0	110.6	E470 V486	E470-S489 VanDerWaalsContact CB-OG 3.29Å; E470-S489 WeakPolarHBondContact CB-OG 3.18Å; V486-S489 PolarHBondContact O-N 3.36Å; V486-S489 VanDerWaalsContact O-N 3.16Å
490	K	82.7	Confident	87.7	Confident	186 Å²	186	71.8 Å²	71.8	81%	0.809	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-78.3	128.8	173.8	-68.5	-175.1	-179.5	178.9	0	110.3	D488 F492	D488-K490 PolarHBondContact O-N 2.7Å; K490-F492 PolarHBondContact O-N 2.93Å
491	P	87.1	Confident	87.3	Confident	40 Å²	40	75.7 Å²	75.7	26%	0.26	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-56	132.2	169.9	-25.7	35.1	0	0	0	111	F464 K467 I469	F464-P491 HydrophobicContact CD1-CG 4Å; F464-P491 HydrophobicContact CE1-CG 3.88Å; K467-P491 HydrophobicContact CB-CB 4.13Å; K467-P491 HydrophobicContact CD-CB 3.57Å; I469-P491 HydrophobicContact CG2-CB 3.76Å; I469-P491 HydrophobicContact CG2-CG 4Å
492	F	88.6	Confident	86.6	Confident	85 Å²	85	82.3 Å²	82.3	37%	0.373	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-100.4	128.6	177.3	171.2	-95.1	0	0	0	109.3	E278 K467 M468 K490 P494	E278-F492 HydrophobicContact CB-CZ 4.08Å; E278-F492 HydrophobicContact CG-CE1 4.46Å; E278-F492 HydrophobicContact CG-CZ 4.07Å; E278-F492 WeakPolarHBondContact O-CE1 3.13Å; K467-F492 CarbonylContact C-O 3.52Å; K467-F492 WeakPolarHBondContact CA-O 3.35Å; K467-F492 WeakPolarHBondContact CB-O 3.43Å; M468-F492 HydrophobicContact CB-CB 4.34Å; M468-F492 HydrophobicContact CB-CD1 4.1Å; M468-F492 PolarHBondContact N-O 3.41Å; M468-F492 PolarHBondContact O-N 3.34Å; K490-F492 PolarHBondContact O-N 2.93Å; F492-P494 HydrophobicContact CD1-CG 4.31Å; F492-P494 HydrophobicContact CE1-CB 4.31Å; F492-P494 HydrophobicContact CE1-CG 4.31Å; F492-P494 VanDerWaalsContact O-CD 3.28Å; F492-P494 WeakPolarHBondContact O-CD 3.48Å
493	T	88.1	Confident	85.9	Confident	75 Å²	75	82.6 Å²	82.6	46%	0.46	42%	0.423	S	S	.	.			trans	-89.4	112.6	175.8	-56.8	0	0	0	0	108.9	K467 S495	K467-T493 WeakPolarHBondContact CE-OG1 3.48Å; T493-S495 VanDerWaalsContact C-N 3.28Å; T493-S495 PolarHBondContact O-N 3.38Å
494	P	82.6	Confident	85.4	Confident	4 Å²	4	86.7 Å²	86.7	3%	0.026	44%	0.442	C	S	.	.			trans	-69.4	-29	178	-22.9	37.1	0	0	0	114.2	C245 P277 E278 G279 A280 L435 G466 M468 F492	C245-P494 HydrophobicContact CB-CB 4.07Å; C245-P494 HydrophobicContact CB-CG 4.24Å; P277-P494 VanDerWaalsContact CB-O 3.26Å; P277-P494 WeakPolarHBondContact CB-O 3.22Å; E278-P494 WeakPolarHBondContact O-CA 3.38Å; G279-P494 VanDerWaalsContact C-CB 3.46Å; G279-P494 WeakPolarHBondContact O-CG 3.29Å; A280-P494 HydrophobicContact CB-CB 3.97Å; L435-P494 HydrophobicContact CD1-CG 3.8Å; G466-P494 VanDerWaalsContact O-CD 3.23Å; G466-P494 WeakPolarHBondContact O-CD 3.42Å; M468-P494 HydrophobicContact CB-CG 4.45Å; F492-P494 HydrophobicContact CD1-CG 4.31Å; F492-P494 HydrophobicContact CE1-CB 4.31Å; F492-P494 HydrophobicContact CE1-CG 4.31Å; F492-P494 VanDerWaalsContact O-CD 3.28Å; F492-P494 WeakPolarHBondContact O-CD 3.48Å
495	S	79.1	Confident	85.2	Confident	20 Å²	20	80.5 Å²	80.5	14%	0.14	42%	0.421	C	S	.	.			trans	-73.3	141.9	-170.6	-174.6	0	0	0	0	112.2	G243 T493 A497	G243-S495 VanDerWaalsContact C-OG 3.29Å; G243-S495 WeakPolarHBondContact CA-OG 3.28Å; G243-S495 PolarHBondContact O-OG 3.35Å; T493-S495 VanDerWaalsContact C-N 3.28Å; T493-S495 PolarHBondContact O-N 3.38Å; S495-A497 VanDerWaalsContact C-N 3.32Å; S495-A497 WeakPolarHBondContact CB-O 3.49Å; S495-A497 PolarHBondContact OG-N 3.26Å; S495-A497 PolarHBondContact OG-O 2.95Å
496	I	80.1	Confident	85	Confident	127 Å²	127	79.6 Å²	79.6	65%	0.651	42%	0.415	S	S	*	.	S	Bend	trans	-79.4	-21	174.1	-53.2	169.6	0	0	0	110.7	P277	P277-I496 HydrophobicContact CB-CD1 4.35Å; P277-I496 HydrophobicContact CB-CG1 4.18Å; P277-I496 HydrophobicContact CG-CD1 3.67Å; P277-I496 HydrophobicContact CG-CG1 3.81Å
497	A	84.1	Confident	84.3	Confident	38 Å²	38	79.3 Å²	79.3	31%	0.314	42%	0.416	S	S	.	.	S	Bend	trans	-137.8	165.9	-177	0	0	0	0	0	112.3	Q241 G243 S495	Q241-A497 WeakPolarHBondContact O-CB 3.24Å; G243-A497 WeakPolarHBondContact CA-O 3.32Å; S495-A497 VanDerWaalsContact C-N 3.32Å; S495-A497 WeakPolarHBondContact CB-O 3.49Å; S495-A497 PolarHBondContact OG-N 3.26Å; S495-A497 PolarHBondContact OG-O 2.95Å
498	E	84.9	Confident	84	Confident	181 Å²	181	73.2 Å²	73.2	85%	0.846	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-68	133.7	170.4	-69.7	-170.6	166.1	0	0	110.3
499	P	86.2	Confident	82.9	Confident	55 Å²	55	72 Å²	72	36%	0.357	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-59.7	140.4	175.5	-17.5	27.2	0	0	0	111.6	P197 L198 E242 G243	P197-P499 HydrophobicContact CB-CB 4.36Å; L198-P499 HydrophobicContact CD2-CB 3.96Å; L198-P499 HydrophobicContact CD2-CG 3.46Å; L198-P499 VanDerWaalsContact CD2-CG 3.46Å; E242-P499 WeakPolarHBondContact O-CA 3.36Å; G243-P499 WeakPolarHBondContact O-CG 3.27Å
500	L	86.7	Confident	81.2	Confident	32 Å²	32	78.7 Å²	78.7	17%	0.168	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-52.1	148.2	168.9	-64.8	179.1	0	0	0	111.4	P197 E242 E504	P197-L500 WeakPolarHBondContact CB-O 3.37Å; E242-L500 HydrophobicContact CB-CD1 4.19Å; E242-L500 HydrophobicContact CB-CG 4.26Å; E242-L500 HydrophobicContact CG-CD1 4.32Å; E242-L500 PolarHBondContact O-N 3.43Å; L500-E504 HydrophobicContact CB-CB 4.21Å
501	Q	85.7	Confident	79	Confident	143 Å²	143	77.1 Å²	77.1	67%	0.668	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-71.1	154.4	175.5	-58.2	-168.9	1.5	0	0	111	G503 E504	Q501-G503 PolarHBondContact O-N 3.05Å; Q501-G503 VanDerWaalsContact O-N 3.15Å; Q501-E504 HydrophobicContact CB-CG 3.94Å; Q501-E504 PolarHBondContact N-OE2 2.89Å; Q501-E504 WeakPolarHBondContact O-CB 3.45Å; Q501-E504 PolarHBondContact O-N 3.4Å
502	K	83.2	Confident	76.7	Confident	138 Å²	138	81.5 Å²	81.5	60%	0.6	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	122.2	177	-173.1	-178.6	175.5	-165.9	0	109.7	E90 P197	E90-K502 WeakPolarHBondContact OE1-CE 3.32Å; E90-K502 IonicContact OE1-NZ 2.94Å; E90-K502 PolarHBondContact OE1-NZ 2.77Å; E90-K502 IonicContact OE2-NZ 2.66Å; P197-K502 HydrophobicContact CG-CB 4.41Å
503	G	83.3	Confident	74.2	Confident	44 Å²	44	83.1 Å²	83.1	45%	0.454	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-9	-177.3	0	0	0	0	0	114.7	Q501	Q501-G503 PolarHBondContact O-N 3.05Å; Q501-G503 VanDerWaalsContact O-N 3.15Å
504	E	87.5	Confident	71.4	Confident	85 Å²	85	83.5 Å²	83.5	40%	0.397	44%	0.443	S	S	.	.			trans	-73.7	151.1	173.9	-71.6	-175.2	157.9	0	0	112.2	L500 Q501	L500-E504 HydrophobicContact CB-CB 4.21Å; Q501-E504 HydrophobicContact CB-CG 3.94Å; Q501-E504 PolarHBondContact N-OE2 2.89Å; Q501-E504 WeakPolarHBondContact O-CB 3.45Å; Q501-E504 PolarHBondContact O-N 3.4Å
505	V	90.2	Very high	68.9	Low	24 Å²	24	89.9 Å²	89.9	15%	0.145	48%	0.477	C	S	.	.			trans	-91	113.2	-175.6	-173.9	0	0	0	0	109.7	A82 P191 K192 I193 L508	A82-V505 HydrophobicContact CB-CG2 3.63Å; P191-V505 HydrophobicContact CB-CG1 3.47Å; P191-V505 VanDerWaalsContact CB-CG1 3.47Å; K192-V505 CarbonylContact O-C 3.59Å; K192-V505 WeakPolarHBondContact O-CA 3.17Å; I193-V505 HydrophobicContact CD1-CG2 4.24Å; I193-V505 HydrophobicContact CG1-CG2 4.08Å; V505-L508 HydrophobicContact CB-CD1 3.91Å; V505-L508 HydrophobicContact CB-CG 4.4Å; V505-L508 HydrophobicContact CG1-CD1 3.9Å; V505-L508 HydrophobicContact CG1-CD2 4.41Å; V505-L508 HydrophobicContact CG1-CG 3.92Å
506	S	89.4	Confident	66.5	Low	2 Å²	2	91.5 Å²	91.5	1%	0.014	50%	0.497	C	S	.	.	B	Isolated β-bridge	trans	-71.4	158.2	165.7	162.9	0	0	0	0	110.8	P191 K192 R194 R235 E242 L508	P191-S506 WeakPolarHBondContact CA-O 3.36Å; P191-S506 WeakPolarHBondContact CB-O 3.37Å; K192-S506 PolarHBondContact N-O 2.87Å; K192-S506 VanDerWaalsContact N-O 3.11Å; K192-S506 WeakPolarHBondContact O-CB 3.49Å; K192-S506 PolarHBondContact O-N 3.31Å; R194-S506 PolarHBondContact NH2-OG 3.2Å; R194-S506 VanDerWaalsContact NH2-OG 3.14Å; R235-S506 PolarHBondContact NH1-OG 3.4Å; R235-S506 PolarHBondContact NH2-OG 2.95Å; E242-S506 VanDerWaalsContact CD-OG 3.26Å; E242-S506 PolarHBondContact OE1-OG 3.48Å; E242-S506 VanDerWaalsContact OE1-OG 3.12Å; E242-S506 WeakPolarHBondContact OE2-CB 3.37Å; E242-S506 PolarHBondContact OE2-OG 3.43Å; S506-L508 VanDerWaalsContact C-N 3.34Å
507	G	80.4	Confident	64.4	Low	13 Å²	13	92.4 Å²	92.4	13%	0.134	51%	0.508	C	S	.	.	S	Bend	trans	88.9	-3.3	170.4	0	0	0	0	0	114.8	E242	E242-G507 PolarHBondContact OE1-N 3.43Å
508	L	74.9	Confident	61.6	Low	56 Å²	56	100 Å²	100	29%	0.293	53%	0.534	S	S	.	.			trans	-82.2	120.8	175.4	-61.6	177.3	0	0	0	109.4	V505 S506 Q510	V505-L508 HydrophobicContact CB-CD1 3.91Å; V505-L508 HydrophobicContact CB-CG 4.4Å; V505-L508 HydrophobicContact CG1-CD1 3.9Å; V505-L508 HydrophobicContact CG1-CD2 4.41Å; V505-L508 HydrophobicContact CG1-CG 3.92Å; S506-L508 VanDerWaalsContact C-N 3.34Å; L508-Q510 PolarHBondContact O-N 3.24Å
509	L	56.3	Low	58.8	Low	131 Å²	131	94.7 Å²	94.7	69%	0.686	53%	0.527	S	S	*	.			trans	-54.6	137.9	170.6	-73.6	163.6	0	0	0	109.3	E511 H512	L509-E511 PolarHBondContact O-N 3.48Å; L509-H512 PolarHBondContact O-N 3.41Å
510	Q	44.3	Very low	55.9	Low	174 Å²	174	97 Å²	97	81%	0.813	55%	0.551	S	S	*	*	H	α-helix	trans	-53.1	-22.5	-174.4	-128.5	169	25.7	0	0	113.9	L508 H512 M513 A514	L508-Q510 PolarHBondContact O-N 3.24Å; Q510-H512 PolarHBondContact O-N 2.98Å; Q510-M513 PolarHBondContact O-N 2.91Å; Q510-A514 PolarHBondContact O-N 3.09Å
511	E	37.3	Very low	53	Low	153 Å²	153	99.8 Å²	99.8	72%	0.715	58%	0.579	S	S	*	*	H	α-helix	trans	-61.4	-27.2	173.5	-67.1	-171.5	160.9	0	0	113.9	L509	L509-E511 PolarHBondContact O-N 3.48Å
512	H	37.2	Very low	50.1	Low	132 Å²	132	99.2 Å²	99.2	61%	0.611	59%	0.589	S	S	*	*	H	α-helix	trans	-81.9	-24.7	178.9	-75.6	25.4	0	0	0	113.2	L509 Q510	L509-H512 PolarHBondContact O-N 3.41Å; Q510-H512 PolarHBondContact O-N 2.98Å
513	M	36.2	Very low	47.5	Very low	118 Å²	118	99 Å²	99	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-78.1	-26.9	174.8	-66.1	-158.5	-156.3	0	0	112.8	Q510 N515	Q510-M513 PolarHBondContact O-N 2.91Å; M513-N515 PolarHBondContact O-N 3.27Å
514	A	29.3	Very low	44.7	Very low	83 Å²	83	102 Å²	102	69%	0.686	61%	0.611	S	S	*	*	S	Bend	trans	-69.6	-21.8	177.5	0	0	0	0	0	113.2	Q510 G516	Q510-A514 PolarHBondContact O-N 3.09Å; A514-G516 PolarHBondContact O-N 3.12Å
515	N	30.9	Very low	42	Very low	138 Å²	138	103.6 Å²	103.6	74%	0.738	63%	0.628	S	S	*	*	S	Bend	trans	-97.7	66.3	173.9	-74.2	-29.2	0	0	0	110.5	M513 V517	M513-N515 PolarHBondContact O-N 3.27Å; N515-V517 PolarHBondContact O-N 3.31Å
516	G	29	Very low	39	Very low	54 Å²	54	110.1 Å²	110.1	56%	0.557	66%	0.662	S	S	*	*			trans	-49.8	131.1	168.9	0	0	0	0	0	111.4	A514 K518	A514-G516 PolarHBondContact O-N 3.12Å; G516-K518 PolarHBondContact O-N 3.39Å
517	V	36.2	Very low	36	Very low	146 Å²	146	115.8 Å²	115.8	89%	0.885	70%	0.702	S	S	*	*			trans	-12.2	93.3	165.8	-174.6	0	0	0	0	113.1	N515	N515-V517 PolarHBondContact O-N 3.31Å
518	K	24.6	Very low	33.6	Very low	199 Å²	199	119.4 Å²	119.4	87%	0.865	73%	0.731	S	S	*	*			trans	-106.1	115	153.2	-79.9	-174	178.1	176.9	0	106.5	G516 A520	G516-K518 PolarHBondContact O-N 3.39Å; K518-A520 PolarHBondContact O-N 2.85Å
519	G	26.3	Very low	31.6	Very low	68 Å²	68	124.3 Å²	124.3	70%	0.701	76%	0.756	S	S	*	*			trans	-46.5	134.3	-176.4	0	0	0	0	0	111.8	A521	G519-A521 PolarHBondContact O-N 2.9Å
520	A	25.7	Very low	30.1	Very low	105 Å²	105	126.6 Å²	126.6	87%	0.868	77%	0.768	S	S	*	*			trans	-59.2	102.2	169.3	0	0	0	0	0	108.4	K518	K518-A520 PolarHBondContact O-N 2.85Å
521	A	25.4	Very low	29.4	Very low	90 Å²	90	124.4 Å²	124.4	74%	0.744	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-67.9	128.3	165.2	0	0	0	0	0	108.1	G519 V523	G519-A521 PolarHBondContact O-N 2.9Å; A521-V523 PolarHBondContact O-N 2.97Å
522	C	25.4	Very low	28.8	Very low	131 Å²	131	120.7 Å²	120.7	89%	0.885	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-49.7	129.7	173.6	-64.8	0	0	0	0	111.4
523	V	26.8	Very low	28.3	Very low	133 Å²	133	119.6 Å²	119.6	81%	0.806	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-98.9	122.9	161.7	-178.4	0	0	0	0	107	A521	A521-V523 PolarHBondContact O-N 2.97Å
524	P	24.4	Very low	27.9	Very low	108 Å²	108	120.1 Å²	120.1	70%	0.701	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-74.5	156.1	178.7	31.7	-33.7	0	0	0	111.1	D526	P524-D526 PolarHBondContact O-N 3.24Å
525	P	31.6	Very low	28	Very low	118 Å²	118	121.5 Å²	121.5	77%	0.766	80%	0.795	S	S	*	*	S	Bend	trans	-81	122.7	179.9	33	-29	0	0	0	109.6
526	D	28.1	Very low	28.4	Very low	161 Å²	161	121.5 Å²	121.5	86%	0.861	79%	0.794	S	S	*	*			trans	143.6	94.4	148.2	-79.2	-16.8	0	0	0	111.1	P524	P524-D526 PolarHBondContact O-N 3.24Å
527	S	26.6	Very low	29.3	Very low	121 Å²	121	123.7 Å²	123.7	85%	0.846	79%	0.793	S	S	*	*			trans	-160.3	115.9	143.2	58.8	0	0	0	0	109.3
528	A	28.7	Very low	29.7	Very low	89 Å²	89	126.8 Å²	126.8	74%	0.736	79%	0.789	S	S	*	*			trans	-56.9	149.4	177.6	0	0	0	0	0	113.3
529	L	33	Very low	30.9	Very low	158 Å²	158	123 Å²	123	83%	0.827	77%	0.774	S	S	*	*			trans	48	107.8	143	-69.8	160.6	0	0	0	117.5
530	L	24.7	Very low	32	Very low	179 Å²	179	125.2 Å²	125.2	94%	0.937	77%	0.769	S	S	*	*			trans	-159.9	93.5	137.3	-101.1	160.3	0	0	0	109	G532	L530-G532 PolarHBondContact O-N 3.45Å
531	V	29.4	Very low	33.3	Very low	129 Å²	129	125 Å²	125	78%	0.782	75%	0.753	S	S	*	*			trans	-71.5	117.4	167.1	172.9	0	0	0	0	107.5	S533	V531-S533 PolarHBondContact O-N 3.19Å; V531-S533 VanDerWaalsContact O-N 3.16Å
532	G	25.6	Very low	34.8	Very low	75 Å²	75	128 Å²	128	77%	0.773	75%	0.75	S	S	*	*			trans	-64.5	108.5	167.1	0	0	0	0	0	109.9	L530 C534	L530-G532 PolarHBondContact O-N 3.45Å; G532-C534 PolarHBondContact O-N 3Å
533	S	27.1	Very low	36.6	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	73%	0.733	S	S	*	*			trans	-73.1	110.7	176	53.1	0	0	0	0	110.9	V531 S535	V531-S533 PolarHBondContact O-N 3.19Å; V531-S533 VanDerWaalsContact O-N 3.16Å; S533-S535 PolarHBondContact O-N 3.2Å
534	C	27	Very low	38.3	Very low	129 Å²	129	126.2 Å²	126.2	87%	0.872	72%	0.72	S	S	*	*			trans	-79.4	100.8	154.9	-127.7	0	0	0	0	106.8	G532 L536	G532-C534 PolarHBondContact O-N 3Å; C534-L536 PolarHBondContact O-N 2.9Å
535	S	31.3	Very low	40.6	Very low	112 Å²	112	123 Å²	123	78%	0.783	71%	0.706	S	S	*	*			trans	-74.5	94.7	178.6	62	0	0	0	0	109.9	S533 D537	S533-S535 PolarHBondContact O-N 3.2Å; S535-D537 PolarHBondContact O-N 3.07Å
536	L	38.7	Very low	42.8	Very low	138 Å²	138	122.3 Å²	122.3	72%	0.723	70%	0.695	S	S	*	*			trans	-64	122.1	154.2	-106	95.1	0	0	0	107.7	C534 R538 L541	C534-L536 PolarHBondContact O-N 2.9Å; L536-R538 PolarHBondContact O-N 3.47Å; L536-L541 HydrophobicContact CB-CD1 4.48Å; L536-L541 HydrophobicContact CD2-CD1 4.17Å
537	D	49.4	Very low	44.8	Very low	100 Å²	100	118.6 Å²	118.6	54%	0.535	68%	0.681	S	S	.	*			trans	-59.8	106	-176.8	-167.2	-10.7	0	0	0	110.8	S535 E539 L540 L541	S535-D537 PolarHBondContact O-N 3.07Å; D537-E539 PolarHBondContact O-N 3.3Å; D537-E539 VanDerWaalsContact O-N 3.1Å; D537-E539 WeakPolarHBondContact OD1-CB 3.42Å; D537-E539 PolarHBondContact OD1-N 3.25Å; D537-E539 VanDerWaalsContact OD1-N 3.15Å; D537-L540 HydrophobicContact CB-CB 4.28Å; D537-L540 WeakPolarHBondContact O-CB 3.3Å; D537-L540 PolarHBondContact O-N 3.42Å; D537-L541 PolarHBondContact O-N 3.35Å
538	R	44.2	Very low	47.3	Very low	211 Å²	211	118.2 Å²	118.2	80%	0.796	67%	0.668	S	S	*	*	H	α-helix	trans	-58	-21.8	179.5	-96.7	179.7	167.3	-169.1	-2.7	112.2	L536 K542	L536-R538 PolarHBondContact O-N 3.47Å; R538-K542 WeakPolarHBondContact O-CG 3.16Å; R538-K542 PolarHBondContact O-N 3Å
539	E	48.7	Very low	49.6	Very low	119 Å²	119	116.9 Å²	116.9	56%	0.556	66%	0.657	S	S	*	*	H	α-helix	trans	-75.4	-35	177.8	-136.2	-174.9	134.8	0	0	111.8	D537 K542 K543	D537-E539 PolarHBondContact O-N 3.3Å; D537-E539 VanDerWaalsContact O-N 3.1Å; D537-E539 WeakPolarHBondContact OD1-CB 3.42Å; D537-E539 PolarHBondContact OD1-N 3.25Å; D537-E539 VanDerWaalsContact OD1-N 3.15Å; E539-K542 PolarHBondContact O-N 3.37Å; E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 2.98Å; E539-K543 IonicContact OE1-NZ 3.75Å; E539-K543 PolarHBondContact OE1-NZ 2.94Å
540	L	49.3	Very low	51.8	Low	115 Å²	115	114.4 Å²	114.4	60%	0.602	64%	0.644	S	S	*	*	H	α-helix	trans	-69.1	-41.6	176.9	-160.7	77	0	0	0	111.5	D537 K543 L544	D537-L540 HydrophobicContact CB-CB 4.28Å; D537-L540 WeakPolarHBondContact O-CB 3.3Å; D537-L540 PolarHBondContact O-N 3.42Å; L540-K543 PolarHBondContact O-N 2.83Å; L540-L544 WeakPolarHBondContact O-CB 3.29Å; L540-L544 PolarHBondContact O-N 3.09Å
541	L	53.4	Low	54.3	Low	102 Å²	102	108.9 Å²	108.9	53%	0.534	62%	0.624	S	S	.	*	H	α-helix	trans	-65.5	-37	175.6	-85.4	156.7	0	0	0	112.6	L536 D537 G545	L536-L541 HydrophobicContact CB-CD1 4.48Å; L536-L541 HydrophobicContact CD2-CD1 4.17Å; D537-L541 PolarHBondContact O-N 3.35Å; L541-G545 PolarHBondContact O-N 3.24Å
542	K	58.2	Low	56.7	Low	153 Å²	153	105.5 Å²	105.5	67%	0.665	61%	0.61	S	S	*	*	H	α-helix	trans	-67.1	-42.2	173.3	-80	-178.9	177.8	-177.8	0	112	R538 E539 G545 I546	R538-K542 WeakPolarHBondContact O-CG 3.16Å; R538-K542 PolarHBondContact O-N 3Å; E539-K542 PolarHBondContact O-N 3.37Å; K542-G545 PolarHBondContact O-N 2.68Å; K542-I546 WeakPolarHBondContact O-CD1 3.36Å; K542-I546 VanDerWaalsContact O-CG1 3.26Å; K542-I546 WeakPolarHBondContact O-CG1 3.28Å; K542-I546 PolarHBondContact O-N 2.83Å
543	K	62.1	Low	59.3	Low	123 Å²	123	104.8 Å²	104.8	54%	0.535	60%	0.597	S	S	.	*	H	α-helix	trans	-64.5	-41	176.2	-73.9	175.7	-175.4	170.4	0	111.6	E539 L540 I546 C547	E539-K543 WeakPolarHBondContact O-CG 3.38Å; E539-K543 PolarHBondContact O-N 2.98Å; E539-K543 IonicContact OE1-NZ 3.75Å; E539-K543 PolarHBondContact OE1-NZ 2.94Å; L540-K543 PolarHBondContact O-N 2.83Å; K543-I546 PolarHBondContact O-N 2.97Å; K543-C547 PolarHBondContact O-N 3.29Å; K543-C547 PolarHBondContact O-SG 2.87Å; K543-C547 VanDerWaalsContact O-SG 3.37Å
544	L	63.6	Low	61.9	Low	103 Å²	103	103.6 Å²	103.6	54%	0.539	59%	0.585	S	S	.	*	H	α-helix	trans	-62.4	-44.4	174.8	-129.7	88	0	0	0	111.9	L540 I546 C547 I548	L540-L544 WeakPolarHBondContact O-CB 3.29Å; L540-L544 PolarHBondContact O-N 3.09Å; L544-I546 PolarHBondContact O-N 3.4Å; L544-C547 PolarHBondContact O-N 3.3Å; L544-I548 VanDerWaalsContact O-CG1 3.28Å; L544-I548 WeakPolarHBondContact O-CG1 3.39Å; L544-I548 PolarHBondContact O-N 3.4Å
545	G	71.7	Confident	64.4	Low	40 Å²	40	102.8 Å²	102.8	41%	0.412	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-40	177.9	0	0	0	0	0	113.2	L541 K542 I548 A549	L541-G545 PolarHBondContact O-N 3.24Å; K542-G545 PolarHBondContact O-N 2.68Å; G545-I548 PolarHBondContact O-N 3.38Å; G545-A549 WeakPolarHBondContact O-CB 3.41Å; G545-A549 PolarHBondContact O-N 2.98Å
546	I	77.6	Confident	66.5	Low	104 Å²	104	100.2 Å²	100.2	53%	0.533	56%	0.557	S	S	.	*	H	α-helix	trans	-68.1	-40.6	176.5	-66.9	165.2	0	0	0	110.9	K542 K543 L544 A549 L550	K542-I546 WeakPolarHBondContact O-CD1 3.36Å; K542-I546 VanDerWaalsContact O-CG1 3.26Å; K542-I546 WeakPolarHBondContact O-CG1 3.28Å; K542-I546 PolarHBondContact O-N 2.83Å; K543-I546 PolarHBondContact O-N 2.97Å; L544-I546 PolarHBondContact O-N 3.4Å; I546-A549 PolarHBondContact O-N 2.84Å; I546-L550 HydrophobicContact CG2-CD1 3.89Å; I546-L550 WeakPolarHBondContact O-CB 3.4Å; I546-L550 PolarHBondContact O-N 3.29Å
547	C	70.8	Confident	68.4	Low	83 Å²	83	99.7 Å²	99.7	56%	0.561	55%	0.549	S	S	*	.	H	α-helix	trans	-64.4	-40.5	176.1	-74.4	0	0	0	0	112.6	K543 L544 L550 A551	K543-C547 PolarHBondContact O-N 3.29Å; K543-C547 PolarHBondContact O-SG 2.87Å; K543-C547 VanDerWaalsContact O-SG 3.37Å; L544-C547 PolarHBondContact O-N 3.3Å; C547-L550 PolarHBondContact O-N 3.4Å; C547-A551 WeakPolarHBondContact O-CB 3.32Å; C547-A551 PolarHBondContact O-N 3.32Å
548	I	79.1	Confident	69.8	Low	112 Å²	112	99 Å²	99	57%	0.574	54%	0.544	S	S	*	.	H	α-helix	trans	-67.3	-40.8	177.2	-67.5	166.1	0	0	0	110.7	L544 G545 A551 A552	L544-I548 VanDerWaalsContact O-CG1 3.28Å; L544-I548 WeakPolarHBondContact O-CG1 3.39Å; L544-I548 PolarHBondContact O-N 3.4Å; G545-I548 PolarHBondContact O-N 3.38Å; I548-A551 PolarHBondContact O-N 2.77Å; I548-A552 WeakPolarHBondContact O-CB 3.35Å; I548-A552 PolarHBondContact O-N 2.54Å
549	A	77.9	Confident	71.3	Confident	61 Å²	61	93.4 Å²	93.4	50%	0.504	53%	0.529	S	S	.	.	H	α-helix	trans	-65.4	-40.6	176.5	0	0	0	0	0	112.4	G545 I546 A552 A553	G545-A549 WeakPolarHBondContact O-CB 3.41Å; G545-A549 PolarHBondContact O-N 2.98Å; I546-A549 PolarHBondContact O-N 2.84Å; A549-A552 PolarHBondContact O-N 3.36Å; A549-A553 WeakPolarHBondContact O-CB 3.5Å; A549-A553 PolarHBondContact O-N 3.37Å
550	L	78.1	Confident	72.5	Confident	107 Å²	107	94.9 Å²	94.9	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-65.9	-41.3	174.6	-83.2	161.8	0	0	0	112	I546 C547 A552 A553 V554	I546-L550 HydrophobicContact CG2-CD1 3.89Å; I546-L550 WeakPolarHBondContact O-CB 3.4Å; I546-L550 PolarHBondContact O-N 3.29Å; C547-L550 PolarHBondContact O-N 3.4Å; L550-A552 VanDerWaalsContact C-N 3.35Å; L550-A552 PolarHBondContact O-N 3.34Å; L550-A553 PolarHBondContact O-N 3.42Å; L550-V554 VanDerWaalsContact O-CG2 3.3Å; L550-V554 WeakPolarHBondContact O-CG2 3.16Å; L550-V554 PolarHBondContact O-N 2.79Å
551	A	77.3	Confident	73.2	Confident	62 Å²	62	97.3 Å²	97.3	51%	0.512	54%	0.542	S	S	.	.	H	α-helix	trans	-63.5	-41.1	176.2	0	0	0	0	0	111.7	C547 I548 V554 L555	C547-A551 WeakPolarHBondContact O-CB 3.32Å; C547-A551 PolarHBondContact O-N 3.32Å; I548-A551 PolarHBondContact O-N 2.77Å; A551-V554 PolarHBondContact O-N 3.29Å; A551-L555 WeakPolarHBondContact O-CB 3.29Å; A551-L555 PolarHBondContact O-N 3.32Å
552	A	80.3	Confident	73.7	Confident	59 Å²	59	99 Å²	99	49%	0.488	55%	0.551	S	S	.	*	H	α-helix	trans	-65.5	-39.6	175.7	0	0	0	0	0	112.4	I548 A549 L550 L555 A556	I548-A552 WeakPolarHBondContact O-CB 3.35Å; I548-A552 PolarHBondContact O-N 2.54Å; A549-A552 PolarHBondContact O-N 3.36Å; L550-A552 VanDerWaalsContact C-N 3.35Å; L550-A552 PolarHBondContact O-N 3.34Å; A552-L555 PolarHBondContact O-N 2.88Å; A552-A556 WeakPolarHBondContact O-CB 3.36Å; A552-A556 PolarHBondContact O-N 3.43Å
553	A	79.4	Confident	73.5	Confident	59 Å²	59	104.3 Å²	104.3	49%	0.488	57%	0.568	S	S	.	*	H	α-helix	trans	-67.3	-40.1	176.6	0	0	0	0	0	112.5	A549 L550 A556 F557	A549-A553 WeakPolarHBondContact O-CB 3.5Å; A549-A553 PolarHBondContact O-N 3.37Å; L550-A553 PolarHBondContact O-N 3.42Å; A553-A556 PolarHBondContact O-N 2.86Å; A553-F557 WeakPolarHBondContact O-CB 3.35Å; A553-F557 PolarHBondContact O-N 3.17Å
554	V	81.9	Confident	74	Confident	84 Å²	84	103.4 Å²	103.4	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-66.3	-40.4	174.7	171.8	0	0	0	0	110.8	L550 A551 F557 I558	L550-V554 VanDerWaalsContact O-CG2 3.3Å; L550-V554 WeakPolarHBondContact O-CG2 3.16Å; L550-V554 PolarHBondContact O-N 2.79Å; A551-V554 PolarHBondContact O-N 3.29Å; V554-F557 PolarHBondContact O-N 3.33Å; V554-I558 HydrophobicContact CG1-CD1 3.77Å; V554-I558 HydrophobicContact CG1-CG1 4.44Å; V554-I558 VanDerWaalsContact O-CG1 3.25Å; V554-I558 WeakPolarHBondContact O-CG1 3.31Å; V554-I558 PolarHBondContact O-N 3.47Å
555	L	78.9	Confident	74.6	Confident	111 Å²	111	103.4 Å²	103.4	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-64.1	-42.2	176.6	-153.8	83.2	0	0	0	111.5	A551 A552 I558 I559	A551-L555 WeakPolarHBondContact O-CB 3.29Å; A551-L555 PolarHBondContact O-N 3.32Å; A552-L555 PolarHBondContact O-N 2.88Å; L555-I558 PolarHBondContact O-N 2.75Å; L555-I559 HydrophobicContact CD2-CD1 4.42Å; L555-I559 HydrophobicContact CG-CD1 4.28Å; L555-I559 WeakPolarHBondContact O-CD1 3.5Å; L555-I559 VanDerWaalsContact O-CG1 3.23Å; L555-I559 WeakPolarHBondContact O-CG1 3.47Å; L555-I559 PolarHBondContact O-N 2.66Å
556	A	77	Confident	74.7	Confident	58 Å²	58	106.9 Å²	106.9	48%	0.479	58%	0.581	S	S	.	*	H	α-helix	trans	-62.6	-42.3	175.5	0	0	0	0	0	111.9	A552 A553 I558 I559 E560	A552-A556 WeakPolarHBondContact O-CB 3.36Å; A552-A556 PolarHBondContact O-N 3.43Å; A553-A556 PolarHBondContact O-N 2.86Å; A556-I558 VanDerWaalsContact C-N 3.35Å; A556-I558 PolarHBondContact O-N 3.46Å; A556-I559 PolarHBondContact O-N 2.83Å; A556-E560 WeakPolarHBondContact O-CB 3.34Å; A556-E560 PolarHBondContact O-N 3.33Å
557	F	77.9	Confident	74.6	Confident	127 Å²	127	107.1 Å²	107.1	56%	0.557	58%	0.583	S	S	*	*	H	α-helix	trans	-67.6	-33.2	177.6	-165.5	-97.2	0	0	0	113.1	A553 V554 K561	A553-F557 WeakPolarHBondContact O-CB 3.35Å; A553-F557 PolarHBondContact O-N 3.17Å; V554-F557 PolarHBondContact O-N 3.33Å; F557-K561 HydrophobicContact CE1-CD 4.44Å; F557-K561 PolarHBondContact O-N 3.03Å
558	I	77.5	Confident	74.8	Confident	86 Å²	86	108.6 Å²	108.6	44%	0.441	59%	0.585	S	S	.	*	H	α-helix	trans	-70.6	-40.3	174.4	-70.5	168.3	0	0	0	110.6	V554 L555 A556 E560 K561 L562	V554-I558 HydrophobicContact CG1-CD1 3.77Å; V554-I558 HydrophobicContact CG1-CG1 4.44Å; V554-I558 VanDerWaalsContact O-CG1 3.25Å; V554-I558 WeakPolarHBondContact O-CG1 3.31Å; V554-I558 PolarHBondContact O-N 3.47Å; L555-I558 PolarHBondContact O-N 2.75Å; A556-I558 VanDerWaalsContact C-N 3.35Å; A556-I558 PolarHBondContact O-N 3.46Å; I558-E560 VanDerWaalsContact C-N 3.34Å; I558-K561 PolarHBondContact O-N 3Å; I558-L562 HydrophobicContact CG2-CD1 3.78Å; I558-L562 PolarHBondContact O-N 3.45Å
559	I	76.8	Confident	74.5	Confident	93 Å²	93	108.4 Å²	108.4	48%	0.477	59%	0.585	S	S	.	*	H	α-helix	trans	-66.1	-37.8	177.4	-69.6	166.1	0	0	0	111	L555 A556 K561 L562	L555-I559 HydrophobicContact CD2-CD1 4.42Å; L555-I559 HydrophobicContact CG-CD1 4.28Å; L555-I559 WeakPolarHBondContact O-CD1 3.5Å; L555-I559 VanDerWaalsContact O-CG1 3.23Å; L555-I559 WeakPolarHBondContact O-CG1 3.47Å; L555-I559 PolarHBondContact O-N 2.66Å; A556-I559 PolarHBondContact O-N 2.83Å; I559-K561 VanDerWaalsContact C-N 3.29Å; I559-K561 PolarHBondContact O-N 3.28Å; I559-L562 PolarHBondContact O-N 3.21Å
560	E	73.1	Confident	74.3	Confident	150 Å²	150	111.8 Å²	111.8	70%	0.701	59%	0.591	S	S	*	*	H	α-helix	trans	-70.4	-21.9	178.2	-159.8	174.9	-158.4	0	0	113.3	A556 I558	A556-E560 WeakPolarHBondContact O-CB 3.34Å; A556-E560 PolarHBondContact O-N 3.33Å; I558-E560 VanDerWaalsContact C-N 3.34Å
561	K	65.1	Low	74	Confident	166 Å²	166	112.2 Å²	112.2	72%	0.722	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-9	174	-88.6	-157.4	173.6	-169.2	0	114.9	F557 I558 I559	F557-K561 HydrophobicContact CE1-CD 4.44Å; F557-K561 PolarHBondContact O-N 3.03Å; I558-K561 PolarHBondContact O-N 3Å; I559-K561 VanDerWaalsContact C-N 3.29Å; I559-K561 PolarHBondContact O-N 3.28Å
562	L	63	Low	73.7	Confident	138 Å²	138	116.3 Å²	116.3	72%	0.723	60%	0.6	S	S	*	*			trans	-101	3.7	-179.2	-81.4	165.1	0	0	0	113.2	I558 I559	I558-L562 HydrophobicContact CG2-CD1 3.78Å; I558-L562 PolarHBondContact O-N 3.45Å; I559-L562 PolarHBondContact O-N 3.21Å
563	Y	53.5	Low	73.1	Confident	265 Å²	265	121.5 Å²	121.5	100%	1.039	61%	0.611	S	S	*	*			trans	-117	0	175.1	-93.8	-80.7	0	0	0	112.9

Retrieved 563 of 563 residues in 2262.2 ms (Link to these results)

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