A0A087XDZ4_POEFO Loading...

Deaminated glutathione amidase

AlphaFold DB , UniProt , Accession A0A087XDZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 aa.

Structure Viewer

Loading PAE data...

(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	35	Very low	31.9	Very low	234 Å²	234	159.5 Å²	159.5	100%	1.153	87%	0.865	S	S	*	*				0	117.5	0	-63.9	178.1	-165.2	0	0	105.6
2	F	33.3	Very low	31.6	Very low	206 Å²	206	163.3 Å²	163.3	90%	0.904	86%	0.86	S	S	*	*			cis	-134.7	143.4	27.7	-96.2	-105	0	0	0	110.3
3	R	29.2	Very low	31.4	Very low	224 Å²	224	162.6 Å²	162.6	85%	0.845	86%	0.856	S	S	*	*			trans	-86.8	148.9	160	-76.6	177.5	168.9	-176.2	-3.3	108.1
4	C	30.1	Very low	31.3	Very low	137 Å²	137	157.5 Å²	157.5	93%	0.926	85%	0.848	S	S	*	*			trans	-149	112.9	137	-102.9	0	0	0	0	110.2
5	N	32.7	Very low	31.2	Very low	147 Å²	147	153.2 Å²	153.2	79%	0.786	84%	0.835	S	S	*	*			trans	-76.7	148.1	163.4	-91	-26.7	0	0	0	108.9
6	L	35.5	Very low	31.1	Very low	184 Å²	184	153.8 Å²	153.8	96%	0.963	84%	0.836	S	S	*	*			trans	-142.2	120.8	142.5	-98.6	154.4	0	0	0	106.6
7	G	28.2	Very low	31.1	Very low	65 Å²	65	150.8 Å²	150.8	67%	0.67	83%	0.83	S	S	*	*			trans	-125	163.8	175.4	0	0	0	0	0	110.6
8	S	32	Very low	31.1	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	83%	0.826	S	S	*	*			trans	168	109.5	152	47.9	0	0	0	0	107
9	S	30.1	Very low	31.3	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	83%	0.834	S	S	*	*				54.7	122.5	97.1	-68.6	0	0	0	0	112.4
10	V	32.3	Very low	31.2	Very low	139 Å²	139	145.5 Å²	145.5	84%	0.842	83%	0.827	S	S	*	*				-162.4	148	78.8	163.3	0	0	0	0	111.2
11	K	32.5	Very low	31.3	Very low	191 Å²	191	150.2 Å²	150.2	83%	0.83	83%	0.831	S	S	*	*			trans	-79	161.4	-179.9	-62.9	169.2	173.5	177.4	0	112.9
12	Y	28.1	Very low	31.1	Very low	205 Å²	205	148.2 Å²	148.2	80%	0.804	82%	0.819	S	S	*	*			trans	179.1	107.1	131.6	-105	-87.1	0	0	0	107.7
13	L	28.9	Very low	31	Very low	154 Å²	154	146.6 Å²	146.6	81%	0.806	81%	0.814	S	S	*	*				54.8	131.3	108.2	-70.7	168.9	0	0	0	113.8
14	A	30.6	Very low	31.1	Very low	91 Å²	91	143.5 Å²	143.5	75%	0.752	81%	0.812	S	S	*	*			cis	-156.8	174.4	15.6	0	0	0	0	0	106.2
15	S	29.2	Very low	31.2	Very low	93 Å²	93	144.5 Å²	144.5	65%	0.65	81%	0.807	S	S	*	*			cis	178.2	152.6	39.1	54.7	0	0	0	0	109.1
16	L	30.6	Very low	31.2	Very low	162 Å²	162	145.8 Å²	145.8	85%	0.848	81%	0.809	S	S	*	*			trans	66.4	135.5	151.4	-62.2	151.9	0	0	0	116.8
17	S	30.4	Very low	31	Very low	104 Å²	104	144 Å²	144	73%	0.727	80%	0.8	S	S	*	*			cis	-172.3	137.8	1.1	45.3	0	0	0	0	108.7
18	A	31.9	Very low	31.3	Very low	93 Å²	93	146.1 Å²	146.1	77%	0.769	81%	0.805	S	S	*	*			trans	22.7	114.4	150	0	0	0	0	0	121.8
19	L	34.4	Very low	31.4	Very low	186 Å²	186	151 Å²	151	97%	0.974	81%	0.806	S	S	*	*				25.3	116.2	123.9	-77.4	134.4	0	0	0	119
20	G	28.9	Very low	31.4	Very low	67 Å²	67	151.1 Å²	151.1	69%	0.691	81%	0.805	S	S	*	*			trans	-149.2	118.3	160.2	0	0	0	0	0	111.3
21	R	33.8	Very low	31.6	Very low	245 Å²	245	154.3 Å²	154.3	93%	0.925	81%	0.808	S	S	*	*			trans	-57.9	128.9	-178.4	-62	169.6	-173.8	-151.7	-0.9	111.2
22	H	30.3	Very low	31.7	Very low	192 Å²	192	152.7 Å²	152.7	89%	0.889	81%	0.808	S	S	*	*			trans	-91.2	110.3	171	-88.6	-52.7	0	0	0	111.6
23	H	30.6	Very low	32.2	Very low	171 Å²	171	147.6 Å²	147.6	79%	0.792	80%	0.801	S	S	*	*			trans	-56.4	132.8	161.5	-94.4	-88	0	0	0	111	L25	H23-L25 PolarHBondContact O-N 3.26Å
24	I	33.3	Very low	32.6	Very low	159 Å²	159	151.8 Å²	151.8	82%	0.815	81%	0.806	S	S	*	*			trans	-71.2	107.5	166.1	-63	169.5	0	0	0	107.2
25	L	30.5	Very low	33.4	Very low	158 Å²	158	155.2 Å²	155.2	83%	0.827	81%	0.809	S	S	*	*			trans	-98.5	109.4	165.6	-81.2	165	0	0	0	108.2	H23 N27	H23-L25 PolarHBondContact O-N 3.26Å; L25-N27 PolarHBondContact O-N 3.27Å
26	Q	34.4	Very low	34.1	Very low	175 Å²	175	154.1 Å²	154.1	82%	0.818	80%	0.801	S	S	*	*			trans	-59.9	117.5	165.3	-73.9	178.9	-23.2	0	0	108.6
27	N	29.3	Very low	35	Very low	145 Å²	145	153.1 Å²	153.1	78%	0.775	80%	0.802	S	S	*	*			trans	-99.2	89.1	175.4	-134.8	-2.8	0	0	0	108.3	L25 R29	L25-N27 PolarHBondContact O-N 3.27Å; N27-R29 VanDerWaalsContact C-N 3.34Å; N27-R29 PolarHBondContact O-N 3.09Å
28	S	35.3	Very low	36.2	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	78%	0.778	S	S	*	*			trans	-67.9	90.9	169.2	-59.8	0	0	0	0	108.9	C30	S28-C30 PolarHBondContact O-N 2.99Å; S28-C30 VanDerWaalsContact O-N 3.09Å
29	R	33.3	Very low	38.6	Very low	215 Å²	215	151.2 Å²	151.2	81%	0.811	78%	0.78	S	S	*	*			trans	-73.3	100.1	169.6	-79.9	-173.7	173.6	-163.7	-1	109	N27 F31	N27-R29 VanDerWaalsContact C-N 3.34Å; N27-R29 PolarHBondContact O-N 3.09Å; R29-F31 PolarHBondContact O-N 2.99Å; R29-F31 VanDerWaalsContact O-N 3.13Å
30	C	32.1	Very low	41.3	Very low	118 Å²	118	144.2 Å²	144.2	80%	0.797	74%	0.744	S	S	*	*			trans	-47.5	112.6	159.5	-117.2	0	0	0	0	109.3	S28 L32	S28-C30 PolarHBondContact O-N 2.99Å; S28-C30 VanDerWaalsContact O-N 3.09Å; C30-L32 VanDerWaalsContact C-N 3.28Å; C30-L32 PolarHBondContact O-N 3.13Å
31	F	34.6	Very low	44.6	Very low	206 Å²	206	143 Å²	143	90%	0.904	72%	0.724	S	S	*	*			trans	-70.1	89.8	163.3	-89.3	-94.5	0	0	0	107.8	R29 C33	R29-F31 PolarHBondContact O-N 2.99Å; R29-F31 VanDerWaalsContact O-N 3.13Å; F31-C33 PolarHBondContact O-N 3.07Å; F31-C33 VanDerWaalsContact O-N 3.07Å
32	L	34.9	Very low	47.6	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	68%	0.684	S	S	*	*			trans	-66.1	103.8	161.8	-86.5	153.9	0	0	0	107.1	C30 R34	C30-L32 VanDerWaalsContact C-N 3.28Å; C30-L32 PolarHBondContact O-N 3.13Å; L32-R34 PolarHBondContact O-N 2.95Å
33	C	38.1	Very low	50.9	Low	98 Å²	98	123 Å²	123	66%	0.662	64%	0.642	S	S	*	*			trans	-59.2	100.7	169.8	-157.8	0	0	0	0	107.5	F31 M35	F31-C33 PolarHBondContact O-N 3.07Å; F31-C33 VanDerWaalsContact O-N 3.07Å; C33-M35 VanDerWaalsContact C-N 3.32Å; C33-M35 PolarHBondContact O-N 2.95Å
34	R	38.7	Very low	54.1	Low	242 Å²	242	114.9 Å²	114.9	91%	0.913	60%	0.604	S	S	*	*			trans	-65	99.9	166.1	-88.1	-175.7	173.5	-167.9	-1.9	106.3	L32 S36	L32-R34 PolarHBondContact O-N 2.95Å; R34-S36 PolarHBondContact O-N 3.26Å
35	M	46.9	Very low	57.3	Low	164 Å²	164	107.3 Å²	107.3	81%	0.808	57%	0.565	S	S	*	*			trans	-55	125.7	166.2	-64.3	-172.6	76.7	0	0	107.4	C33 T37	C33-M35 VanDerWaalsContact C-N 3.32Å; C33-M35 PolarHBondContact O-N 2.95Å; M35-T37 PolarHBondContact O-N 3.24Å; M35-T37 VanDerWaalsContact O-N 3.17Å
36	S	43.5	Very low	60.5	Low	69 Å²	69	99.8 Å²	99.8	48%	0.483	53%	0.526	S	S	.	.			trans	-55	123.1	174.8	174.8	0	0	0	0	108.4	R34 S38 E291	R34-S36 PolarHBondContact O-N 3.26Å; S36-S38 PolarHBondContact O-N 3.48Å; S36-S38 WeakPolarHBondContact OG-CB 3.36Å; S36-S38 PolarHBondContact OG-N 3.17Å; S36-E291 PolarHBondContact OG-OE1 3.13Å; S36-E291 VanDerWaalsContact OG-OE1 3.13Å
37	T	50.3	Low	63.6	Low	142 Å²	142	91.4 Å²	91.4	87%	0.871	49%	0.487	S	S	*	.			trans	-85.9	12.4	174.2	54.2	0	0	0	0	111.7	M35	M35-T37 PolarHBondContact O-N 3.24Å; M35-T37 VanDerWaalsContact O-N 3.17Å
38	S	56	Low	66.9	Low	32 Å²	32	85 Å²	85	22%	0.224	45%	0.453	C	S	.	.			trans	-72.2	131.9	179.4	-171.3	0	0	0	0	110	S36 N40 E291	S36-S38 PolarHBondContact O-N 3.48Å; S36-S38 WeakPolarHBondContact OG-CB 3.36Å; S36-S38 PolarHBondContact OG-N 3.17Å; S38-N40 PolarHBondContact O-N 3.04Å; S38-E291 WeakPolarHBondContact CB-OE1 3.08Å; S38-E291 WeakPolarHBondContact CB-OE2 3.22Å; S38-E291 PolarHBondContact OG-OE1 3.47Å; S38-E291 PolarHBondContact OG-OE2 2.87Å
39	P	80.6	Confident	69.9	Low	125 Å²	125	81.6 Å²	81.6	81%	0.812	43%	0.428	S	S	*	.	S	Bend	trans	-70.4	-9.3	175.6	30	-35.1	0	0	0	112.8
40	N	92.7	Very high	73	Confident	39 Å²	39	71.4 Å²	71.4	21%	0.209	39%	0.389	C	S	.	.	S	Bend	trans	-85.5	143.9	-177.5	-62.6	-56.9	0	0	0	111.5	S38 E291	S38-N40 PolarHBondContact O-N 3.04Å; N40-E291 HydrophobicContact CB-CB 4.39Å
41	P	96.8	Very high	76.2	Confident	42 Å²	42	67.7 Å²	67.7	27%	0.273	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-66.1	142.8	174.6	31.9	-37.6	0	0	0	110.7	P189 I190 V292	P41-P189 WeakPolarHBondContact CG-O 3.24Å; P41-I190 HydrophobicContact CB-CG2 3.81Å; P41-I190 HydrophobicContact CG-CB 4.34Å; P41-I190 HydrophobicContact CG-CG2 4.06Å; P41-V292 PolarHBondContact O-N 2.73Å
42	V	98.4	Very high	79.2	Confident	16 Å²	16	59.3 Å²	59.3	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.9	-176.9	-179.5	0	0	0	0	110.1	A73 C74 L289 V290 E291	V42-A73 HydrophobicContact CG1-CB 4.41Å; V42-A73 CarbonylContact O-C 3.6Å; V42-A73 VanDerWaalsContact O-CA 3.3Å; V42-A73 WeakPolarHBondContact O-CA 3.17Å; V42-C74 PolarHBondContact O-N 2.84Å; V42-C74 PolarHBondContact O-SG 2.58Å; V42-C74 VanDerWaalsContact O-SG 3.38Å; V42-L289 HydrophobicContact CG1-CB 4.11Å; V42-L289 HydrophobicContact CG1-CD2 4.2Å; V42-V290 WeakPolarHBondContact CA-O 3.34Å; V42-E291 HydrophobicContact CG2-CG 4.22Å
43	A	98.7	Very high	82.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.1	169.4	0	0	0	0	0	110.8	M75 F77 I190 L249 L289 V290 V292	A43-M75 CarbonylContact C-O 3.55Å; A43-M75 VanDerWaalsContact CA-O 3.31Å; A43-M75 WeakPolarHBondContact CA-O 3.38Å; A43-F77 HydrophobicContact CB-CD2 4.41Å; A43-F77 HydrophobicContact CB-CE2 3.89Å; A43-I190 HydrophobicContact CB-CD1 4.12Å; A43-L249 HydrophobicContact CB-CD1 4Å; A43-L289 CarbonylContact O-C 3.54Å; A43-L289 WeakPolarHBondContact O-CA 3.32Å; A43-V290 PolarHBondContact N-O 2.94Å; A43-V290 PolarHBondContact O-N 2.93Å; A43-V292 HydrophobicContact CB-CG2 4.16Å
44	A	98.8	Very high	85.1	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.7	168.5	0	0	0	0	0	110.2	A68 A73 M75 V76 F77 M287 V288 L289	A44-A68 HydrophobicContact CB-CB 3.6Å; A44-A73 HydrophobicContact CB-CB 3.84Å; A44-M75 PolarHBondContact N-O 3.16Å; A44-V76 HydrophobicContact CB-CG1 4.26Å; A44-V76 HydrophobicContact CB-CG2 4.26Å; A44-V76 WeakPolarHBondContact O-CA 3.43Å; A44-F77 WeakPolarHBondContact O-CD2 3.22Å; A44-F77 PolarHBondContact O-N 2.88Å; A44-M287 HydrophobicContact CB-SD 3.99Å; A44-V288 WeakPolarHBondContact CA-O 3.31Å; A44-L289 HydrophobicContact CB-CD2 3.72Å
45	V	98.9	Very high	87.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.2	175.5	-172.5	0	0	0	0	108	L249 A251 A267 M287 V288 V290	V45-L249 HydrophobicContact CG2-CB 3.93Å; V45-L249 HydrophobicContact CG2-CD1 4.47Å; V45-L249 HydrophobicContact CG2-CD2 3.97Å; V45-L249 HydrophobicContact CG2-CG 4.33Å; V45-A251 HydrophobicContact CG1-CB 4.15Å; V45-A267 HydrophobicContact CG1-CB 4.27Å; V45-M287 VanDerWaalsContact O-CA 3.29Å; V45-M287 WeakPolarHBondContact O-CA 3.22Å; V45-V288 HydrophobicContact CB-CG2 3.92Å; V45-V288 PolarHBondContact N-O 3.44Å; V45-V288 PolarHBondContact O-N 2.92Å; V45-V290 HydrophobicContact CG2-CG2 4.14Å
46	C	98.8	Very high	90.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	151.9	-172.2	-62.8	0	0	0	0	112.7	L64 V76 F77 L78 A251 A252 A267 G286	C46-L64 HydrophobicContact CB-CD1 4.35Å; C46-V76 WeakPolarHBondContact SG-CG1 3.47Å; C46-F77 WeakPolarHBondContact CB-O 3.39Å; C46-F77 PolarHBondContact N-O 3.14Å; C46-L78 HydrophobicContact CB-CD2 3.86Å; C46-A251 VanDerWaalsContact O-CA 3.32Å; C46-A251 WeakPolarHBondContact O-CA 3.3Å; C46-A251 WeakPolarHBondContact O-CB 3.26Å; C46-A252 PolarHBondContact O-N 2.58Å; C46-A267 WeakPolarHBondContact O-CB 3.41Å; C46-G286 WeakPolarHBondContact CA-O 3.38Å
47	Q	98.6	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129	169.5	-178.3	159	-82.5	0	0	109	A252 V254 G265 A267 C280 G281 K284 P285 G286	Q47-A252 WeakPolarHBondContact CA-O 3.4Å; Q47-V254 HydrophobicContact CG-CB 3.59Å; Q47-V254 HydrophobicContact CG-CG1 3.45Å; Q47-V254 VanDerWaalsContact CG-CG1 3.45Å; Q47-V254 HydrophobicContact CG-CG2 4.45Å; Q47-G265 VanDerWaalsContact OE1-C 3.25Å; Q47-G265 VanDerWaalsContact OE1-CA 3.27Å; Q47-A267 HydrophobicContact CB-CB 3.7Å; Q47-A267 HydrophobicContact CG-CB 4.41Å; Q47-C280 HydrophobicContact CB-CB 3.84Å; Q47-C280 HydrophobicContact CG-CB 4.35Å; Q47-C280 PolarHBondContact NE2-O 2.82Å; Q47-G281 PolarHBondContact NE2-O 3.12Å; Q47-G281 PolarHBondContact OE1-O 3.24Å; Q47-G281 VanDerWaalsContact OE1-O 3.12Å; Q47-K284 PolarHBondContact NE2-O 2.97Å; Q47-P285 CarbonylContact O-C 3.49Å; Q47-P285 WeakPolarHBondContact O-CA 3.37Å; Q47-G286 PolarHBondContact N-O 2.55Å; Q47-G286 PolarHBondContact O-N 3.29Å
48	V	98.6	Very high	95.3	Very high	9 Å²	9	32 Å²	32	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	165.9	-179.6	-45	0	0	0	0	111.5	A50 L64 P79 A252 Q253 V254	V48-A50 HydrophobicContact CG2-CB 4.48Å; V48-L64 HydrophobicContact CG1-CD1 3.68Å; V48-P79 HydrophobicContact CB-CG 4.35Å; V48-P79 HydrophobicContact CG1-CG 4.3Å; V48-P79 HydrophobicContact CG2-CG 3.41Å; V48-P79 VanDerWaalsContact CG2-CG 3.41Å; V48-A252 PolarHBondContact N-O 2.85Å; V48-A252 VanDerWaalsContact N-O 3.15Å; V48-Q253 CarbonylContact O-C 3.55Å; V48-Q253 VanDerWaalsContact O-CA 3.24Å; V48-Q253 WeakPolarHBondContact O-CA 3.35Å; V48-Q253 PolarHBondContact O-OE1 2.92Å; V48-Q253 VanDerWaalsContact O-OE1 3.09Å; V48-V254 PolarHBondContact O-N 3.44Å
49	T	98.6	Very high	97.4	Very high	39 Å²	39	33.6 Å²	33.6	24%	0.239	20%	0.198	C	C	.	.			trans	-121.6	83.8	170	-55.8	0	0	0	0	107.6	V254 R256	T49-V254 VanDerWaalsContact CB-O 3.3Å; T49-V254 WeakPolarHBondContact CB-O 3.31Å; T49-V254 VanDerWaalsContact CG2-O 3.22Å; T49-V254 WeakPolarHBondContact CG2-O 3.44Å; T49-V254 WeakPolarHBondContact OG1-CG1 3.31Å; T49-V254 PolarHBondContact OG1-O 2.78Å; T49-R256 WeakPolarHBondContact CG2-O 3.41Å
50	A	98.5	Very high	98.2	Very high	1 Å²	1	29 Å²	29	1%	0.008	17%	0.174	C	C	.	.			trans	-69.6	140.2	178.2	0	0	0	0	0	110.6	V48 N57 G81 I85 H257	V48-A50 HydrophobicContact CG2-CB 4.48Å; A50-N57 WeakPolarHBondContact CA-OD1 3.34Å; A50-G81 WeakPolarHBondContact CB-O 3.3Å; A50-I85 HydrophobicContact CB-CD1 4.25Å; A50-I85 HydrophobicContact CB-CG1 4.15Å; A50-H257 WeakPolarHBondContact O-CB 3.4Å; A50-H257 PolarHBondContact O-ND1 3.2Å
51	T	98.4	Very high	98.5	Very high	40 Å²	40	27.3 Å²	27.3	25%	0.245	17%	0.165	C	C	.	.			trans	-120	-175.4	177.2	69.3	0	0	0	0	109.3	D53 N57 Y84 I85	T51-D53 PolarHBondContact O-N 3.1Å; T51-D53 PolarHBondContact OG1-N 3.2Å; T51-N57 PolarHBondContact N-ND2 3.25Å; T51-N57 PolarHBondContact N-OD1 3.49Å; T51-N57 PolarHBondContact O-ND2 3.22Å; T51-N57 PolarHBondContact OG1-OD1 2.96Å; T51-Y84 WeakPolarHBondContact O-CA 3.11Å; T51-Y84 WeakPolarHBondContact O-CB 3.35Å; T51-I85 CarbonylContact C-O 3.52Å; T51-I85 PolarHBondContact O-N 3.37Å; T51-I85 VanDerWaalsContact O-N 3.08Å
52	P	98.3	Very high	98.6	Very high	31 Å²	31	28.7 Å²	28.7	20%	0.201	17%	0.166	C	C	.	.	S	Bend	trans	-64.5	-14.1	169.2	-24.2	35.1	0	0	0	114.4	K54 I85 S87 M95	P52-K54 PolarHBondContact O-N 3.29Å; P52-I85 WeakPolarHBondContact CD-O 3.44Å; P52-I85 WeakPolarHBondContact CG-O 3.42Å; P52-S87 VanDerWaalsContact CG-OG 3.28Å; P52-S87 WeakPolarHBondContact CG-OG 3.24Å; P52-M95 HydrophobicContact CB-CE 4.38Å; P52-M95 VanDerWaalsContact O-SD 3.42Å
53	D	98.4	Very high	98.6	Very high	85 Å²	85	33.8 Å²	33.8	46%	0.455	19%	0.189	S	C	.	.			trans	-85.7	98	-179.5	-174.4	-21	0	0	0	112	T51 E55 A56 N57	T51-D53 PolarHBondContact O-N 3.1Å; T51-D53 PolarHBondContact OG1-N 3.2Å; D53-E55 VanDerWaalsContact C-N 3.33Å; D53-E55 PolarHBondContact O-N 2.79Å; D53-E55 PolarHBondContact OD1-N 2.83Å; D53-A56 HydrophobicContact CB-CB 3.92Å; D53-A56 VanDerWaalsContact CG-CB 3.47Å; D53-A56 PolarHBondContact O-N 3.03Å; D53-A56 PolarHBondContact OD1-N 2.85Å; D53-N57 WeakPolarHBondContact O-CB 3.41Å; D53-N57 PolarHBondContact O-N 2.97Å; D53-N57 PolarHBondContact O-ND2 3.49Å; D53-N57 PolarHBondContact O-OD1 2.85Å
54	K	98.3	Very high	98.6	Very high	36 Å²	36	34.6 Å²	34.6	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-36.1	-179.3	-69.5	177.3	67.6	174.3	0	114	P52 N57 F58 Y84 M95 E97	P52-K54 PolarHBondContact O-N 3.29Å; K54-N57 PolarHBondContact O-N 3.39Å; K54-F58 WeakPolarHBondContact O-CB 3.47Å; K54-F58 PolarHBondContact O-N 2.9Å; K54-Y84 HydrophobicContact CD-CD1 3.77Å; K54-Y84 HydrophobicContact CD-CE1 4.28Å; K54-Y84 HydrophobicContact CD-CG 4.48Å; K54-Y84 HydrophobicContact CG-CD1 3.74Å; K54-Y84 HydrophobicContact CG-CG 4.11Å; K54-M95 HydrophobicContact CD-CB 4.11Å; K54-M95 HydrophobicContact CD-CG 4.44Å; K54-M95 HydrophobicContact CD-SD 4.26Å; K54-M95 HydrophobicContact CG-SD 4.44Å; K54-M95 PolarHBondContact NZ-O 2.91Å; K54-E97 IonicContact NZ-OE1 3.74Å; K54-E97 PolarHBondContact NZ-OE1 3.08Å
55	E	98.6	Very high	98.6	Very high	98 Å²	98	34.6 Å²	34.6	46%	0.458	19%	0.193	S	C	.	.	H	α-helix	trans	-73.3	-41.1	-178.9	-73.9	-54.2	140	0	0	111.3	D53 N57 F58 T59 R106	D53-E55 VanDerWaalsContact C-N 3.33Å; D53-E55 PolarHBondContact O-N 2.79Å; D53-E55 PolarHBondContact OD1-N 2.83Å; E55-N57 VanDerWaalsContact C-N 3.34Å; E55-F58 PolarHBondContact O-N 2.83Å; E55-T59 WeakPolarHBondContact O-CB 3.29Å; E55-T59 PolarHBondContact O-N 3.31Å; E55-T59 PolarHBondContact O-OG1 2.93Å; E55-R106 VanDerWaalsContact CD-NH1 3.29Å; E55-R106 IonicContact OE1-CZ 3.65Å; E55-R106 IonicContact OE1-NH1 3.53Å; E55-R106 PolarHBondContact OE1-NH1 2.93Å; E55-R106 IonicContact OE1-NH2 2.76Å; E55-R106 IonicContact OE2-CZ 2.87Å; E55-R106 IonicContact OE2-NH1 3.67Å; E55-R106 PolarHBondContact OE2-NH1 2.74Å; E55-R106 VanDerWaalsContact OE2-NH1 3.1Å; E55-R106 IonicContact OE2-NH2 3.92Å; E55-R106 PolarHBondContact OE2-NH2 3.16Å
56	A	98.5	Very high	98.6	Very high	49 Å²	49	37.2 Å²	37.2	41%	0.405	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-44.6	172.5	0	0	0	0	0	111.1	D53 T59 G60	D53-A56 HydrophobicContact CB-CB 3.92Å; D53-A56 VanDerWaalsContact CG-CB 3.47Å; D53-A56 PolarHBondContact O-N 3.03Å; D53-A56 PolarHBondContact OD1-N 2.85Å; A56-T59 PolarHBondContact O-N 2.54Å; A56-G60 PolarHBondContact O-N 3.26Å
57	N	98.8	Very high	98.6	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-47.2	178.3	-60.8	-26	0	0	0	111.9	A50 T51 D53 K54 E55 T59 G60 C61 D83 Y84	A50-N57 WeakPolarHBondContact CA-OD1 3.34Å; T51-N57 PolarHBondContact N-ND2 3.25Å; T51-N57 PolarHBondContact N-OD1 3.49Å; T51-N57 PolarHBondContact O-ND2 3.22Å; T51-N57 PolarHBondContact OG1-OD1 2.96Å; D53-N57 WeakPolarHBondContact O-CB 3.41Å; D53-N57 PolarHBondContact O-N 2.97Å; D53-N57 PolarHBondContact O-ND2 3.49Å; D53-N57 PolarHBondContact O-OD1 2.85Å; K54-N57 PolarHBondContact O-N 3.39Å; E55-N57 VanDerWaalsContact C-N 3.34Å; N57-T59 VanDerWaalsContact C-N 3.32Å; N57-T59 PolarHBondContact O-N 2.89Å; N57-G60 PolarHBondContact O-N 3.31Å; N57-C61 WeakPolarHBondContact O-CB 3.27Å; N57-C61 PolarHBondContact O-N 3.49Å; N57-C61 PolarHBondContact O-SG 3.04Å; N57-D83 WeakPolarHBondContact CB-O 3.42Å; N57-D83 PolarHBondContact ND2-O 2.98Å; N57-Y84 VanDerWaalsContact ND2-CA 3.32Å; N57-Y84 WeakPolarHBondContact ND2-CA 3.24Å
58	F	98.9	Very high	98.6	Very high	19 Å²	19	40.8 Å²	40.8	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-44.3	175.9	175.4	-91.4	0	0	0	111.2	K54 E55 G60 C61 K62 I103 R106 Y107	K54-F58 WeakPolarHBondContact O-CB 3.47Å; K54-F58 PolarHBondContact O-N 2.9Å; E55-F58 PolarHBondContact O-N 2.83Å; F58-G60 PolarHBondContact O-N 3.45Å; F58-C61 PolarHBondContact O-N 2.89Å; F58-K62 HydrophobicContact CE1-CB 4.33Å; F58-K62 HydrophobicContact CE1-CD 4.06Å; F58-K62 VanDerWaalsContact O-CB 3.22Å; F58-K62 WeakPolarHBondContact O-CB 3.29Å; F58-K62 PolarHBondContact O-N 2.85Å; F58-I103 HydrophobicContact CB-CD1 4.21Å; F58-I103 HydrophobicContact CD2-CD1 3.9Å; F58-I103 HydrophobicContact CG-CD1 4.43Å; F58-R106 HydrophobicContact CD2-CB 4.33Å; F58-R106 HydrophobicContact CE2-CB 3.52Å; F58-R106 HydrophobicContact CZ-CB 3.83Å; F58-Y107 HydrophobicContact CD2-CD2 4.37Å; F58-Y107 AromaticContact CD2-CE2 3.73Å; F58-Y107 HydrophobicContact CD2-CE2 3.73Å; F58-Y107 AromaticContact CD2-CZ 3.87Å; F58-Y107 HydrophobicContact CE2-CD2 4.37Å; F58-Y107 HydrophobicContact CE2-CE2 4.12Å
59	T	98.8	Very high	98.6	Very high	65 Å²	65	44.9 Å²	44.9	40%	0.399	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-45.1	179	-61.8	0	0	0	0	111.3	E55 A56 N57 K62 Q63	E55-T59 WeakPolarHBondContact O-CB 3.29Å; E55-T59 PolarHBondContact O-N 3.31Å; E55-T59 PolarHBondContact O-OG1 2.93Å; A56-T59 PolarHBondContact O-N 2.54Å; N57-T59 VanDerWaalsContact C-N 3.32Å; N57-T59 PolarHBondContact O-N 2.89Å; T59-K62 PolarHBondContact O-N 2.7Å; T59-Q63 WeakPolarHBondContact O-CG 3.41Å; T59-Q63 PolarHBondContact O-N 3.36Å; T59-Q63 VanDerWaalsContact O-N 3.08Å
60	G	98.7	Very high	98.6	Very high	29 Å²	29	50.2 Å²	50.2	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-45.4	176.7	0	0	0	0	0	112.8	A56 N57 F58 K62 Q63 L64	A56-G60 PolarHBondContact O-N 3.26Å; N57-G60 PolarHBondContact O-N 3.31Å; F58-G60 PolarHBondContact O-N 3.45Å; G60-K62 PolarHBondContact O-N 2.9Å; G60-Q63 PolarHBondContact O-N 2.97Å; G60-L64 PolarHBondContact O-N 3.28Å
61	C	98.8	Very high	98.5	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-42.7	176.1	-67.9	0	0	0	0	111.5	N57 F58 Q63 L64 L65 L78 Y107	N57-C61 WeakPolarHBondContact O-CB 3.27Å; N57-C61 PolarHBondContact O-N 3.49Å; N57-C61 PolarHBondContact O-SG 3.04Å; F58-C61 PolarHBondContact O-N 2.89Å; C61-Q63 VanDerWaalsContact C-N 3.32Å; C61-Q63 PolarHBondContact O-N 2.99Å; C61-L64 PolarHBondContact O-N 3.42Å; C61-L64 VanDerWaalsContact O-N 3.17Å; C61-L65 WeakPolarHBondContact O-CD1 3.29Å; C61-L65 PolarHBondContact O-N 3.38Å; C61-L78 HydrophobicContact CB-CD1 4.01Å; C61-L78 HydrophobicContact CB-CD2 4.34Å; C61-Y107 HydrophobicContact CB-CE1 4.26Å; C61-Y107 WeakPolarHBondContact CB-OH 3.38Å
62	K	98.8	Very high	98.5	Very high	71 Å²	71	55.4 Å²	55.4	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-57.3	-44.5	176.5	175.3	-175.2	167.9	-164.9	0	111.8	F58 T59 G60 L64 L65 E66 L110	F58-K62 HydrophobicContact CE1-CB 4.33Å; F58-K62 HydrophobicContact CE1-CD 4.06Å; F58-K62 VanDerWaalsContact O-CB 3.22Å; F58-K62 WeakPolarHBondContact O-CB 3.29Å; F58-K62 PolarHBondContact O-N 2.85Å; T59-K62 PolarHBondContact O-N 2.7Å; G60-K62 PolarHBondContact O-N 2.9Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 2.87Å; K62-L65 PolarHBondContact O-N 2.84Å; K62-E66 WeakPolarHBondContact CE-OE1 3.43Å; K62-E66 IonicContact NZ-OE1 3.07Å; K62-E66 WeakPolarHBondContact O-CG 3.38Å; K62-E66 PolarHBondContact O-N 2.93Å; K62-L110 HydrophobicContact CB-CD2 3.99Å; K62-L110 HydrophobicContact CG-CD1 4.18Å; K62-L110 HydrophobicContact CG-CD2 3.88Å
63	Q	98.8	Very high	98.5	Very high	122 Å²	122	54 Å²	54	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-60.6	-43.5	177	-73	171.5	-7.5	0	0	111.7	T59 G60 C61 L65 E66 E67	T59-Q63 WeakPolarHBondContact O-CG 3.41Å; T59-Q63 PolarHBondContact O-N 3.36Å; T59-Q63 VanDerWaalsContact O-N 3.08Å; G60-Q63 PolarHBondContact O-N 2.97Å; C61-Q63 VanDerWaalsContact C-N 3.32Å; C61-Q63 PolarHBondContact O-N 2.99Å; Q63-L65 PolarHBondContact O-N 3.32Å; Q63-E66 PolarHBondContact O-N 3.1Å; Q63-E67 WeakPolarHBondContact O-CB 3.23Å; Q63-E67 PolarHBondContact O-N 3.01Å
64	L	98.6	Very high	98.5	Very high	17 Å²	17	51.6 Å²	51.6	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-39.2	175.8	-70.2	172.2	0	0	0	112.3	C46 V48 G60 C61 K62 A68 M287	C46-L64 HydrophobicContact CB-CD1 4.35Å; V48-L64 HydrophobicContact CG1-CD1 3.68Å; G60-L64 PolarHBondContact O-N 3.28Å; C61-L64 PolarHBondContact O-N 3.42Å; C61-L64 VanDerWaalsContact O-N 3.17Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 2.87Å; L64-A68 WeakPolarHBondContact O-CB 3.44Å; L64-A68 PolarHBondContact O-N 3.38Å; L64-M287 HydrophobicContact CB-CE 4.28Å; L64-M287 HydrophobicContact CD2-CE 3.81Å; L64-M287 VanDerWaalsContact O-CE 3.23Å; L64-M287 WeakPolarHBondContact O-CE 3.39Å
65	L	98.8	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-44.1	176.1	-93	60.9	0	0	0	111.5	C61 K62 Q63 A68 R69 V76 L78 Y107 L110 L114 L118	C61-L65 WeakPolarHBondContact O-CD1 3.29Å; C61-L65 PolarHBondContact O-N 3.38Å; K62-L65 PolarHBondContact O-N 2.84Å; Q63-L65 PolarHBondContact O-N 3.32Å; L65-A68 PolarHBondContact O-N 3Å; L65-R69 WeakPolarHBondContact O-CB 3.43Å; L65-R69 PolarHBondContact O-N 3.5Å; L65-V76 HydrophobicContact CD1-CB 4.45Å; L65-V76 HydrophobicContact CD1-CG1 3.7Å; L65-V76 HydrophobicContact CG-CB 4.44Å; L65-V76 HydrophobicContact CG-CG1 4.15Å; L65-L78 HydrophobicContact CD1-CD1 3.95Å; L65-L78 HydrophobicContact CD1-CD2 3.76Å; L65-L78 HydrophobicContact CD1-CG 4.03Å; L65-Y107 HydrophobicContact CD2-CD1 4.11Å; L65-Y107 HydrophobicContact CD2-CE1 4.13Å; L65-L110 HydrophobicContact CB-CD2 4.33Å; L65-L110 HydrophobicContact CD2-CD2 3.51Å; L65-L110 HydrophobicContact CD2-CG 4.15Å; L65-L114 HydrophobicContact CB-CD1 3.9Å; L65-L118 HydrophobicContact CD2-CD1 3.9Å; L65-L118 HydrophobicContact CD2-CD2 3.49Å; L65-L118 VanDerWaalsContact CD2-CD2 3.49Å; L65-L118 HydrophobicContact CD2-CG 4.38Å; L65-L118 HydrophobicContact CG-CD2 3.83Å
66	E	98.8	Very high	98.5	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-46.6	176.1	-74.9	174.2	168.4	0	0	111.2	K62 Q63 R69 Q70 L114	K62-E66 WeakPolarHBondContact CE-OE1 3.43Å; K62-E66 IonicContact NZ-OE1 3.07Å; K62-E66 WeakPolarHBondContact O-CG 3.38Å; K62-E66 PolarHBondContact O-N 2.93Å; Q63-E66 PolarHBondContact O-N 3.1Å; E66-R69 PolarHBondContact O-N 2.92Å; E66-Q70 VanDerWaalsContact O-CG 3.26Å; E66-Q70 WeakPolarHBondContact O-CG 3.18Å; E66-Q70 PolarHBondContact O-N 3.48Å; E66-L114 HydrophobicContact CG-CD1 4.04Å; E66-L114 HydrophobicContact CG-CD2 3.95Å
67	E	98.6	Very high	98.5	Very high	76 Å²	76	42.9 Å²	42.9	36%	0.355	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-44.4	176.7	-176.1	-156.8	146.5	0	0	111.5	Q63 R69 Q70 R71 M287	Q63-E67 WeakPolarHBondContact O-CB 3.23Å; Q63-E67 PolarHBondContact O-N 3.01Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.19Å; E67-Q70 WeakPolarHBondContact O-CB 3.3Å; E67-Q70 PolarHBondContact O-N 3.35Å; E67-R71 HydrophobicContact CG-CG 4.47Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.31Å; E67-R71 PolarHBondContact O-N 3.42Å; E67-R71 WeakPolarHBondContact OE1-CD 3.3Å; E67-R71 IonicContact OE1-CZ 3.81Å; E67-R71 IonicContact OE1-NH1 2.84Å; E67-R71 PolarHBondContact OE1-NH1 3.44Å; E67-M287 HydrophobicContact CB-CE 3.78Å; E67-M287 HydrophobicContact CG-CE 3.84Å
68	A	98.5	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-45.2	177.6	0	0	0	0	0	111.2	A44 L64 L65 R71 G72 A73 V76 M287	A44-A68 HydrophobicContact CB-CB 3.6Å; L64-A68 WeakPolarHBondContact O-CB 3.44Å; L64-A68 PolarHBondContact O-N 3.38Å; L65-A68 PolarHBondContact O-N 3Å; A68-R71 CarbonylContact O-C 3.44Å; A68-R71 PolarHBondContact O-N 3.02Å; A68-G72 PolarHBondContact O-N 2.89Å; A68-A73 HydrophobicContact CB-CB 4.06Å; A68-A73 VanDerWaalsContact O-CB 3.3Å; A68-A73 WeakPolarHBondContact O-CB 3.45Å; A68-A73 PolarHBondContact O-N 3.41Å; A68-V76 HydrophobicContact CB-CG1 4.41Å; A68-V76 HydrophobicContact CB-CG2 3.68Å; A68-M287 HydrophobicContact CB-CE 4.13Å; A68-M287 HydrophobicContact CB-SD 3.64Å
69	R	98	Very high	98.5	Very high	95 Å²	95	41.5 Å²	41.5	36%	0.358	21%	0.212	S	C	.	.	H	α-helix	trans	-65.7	-40.7	178	-179	60.6	-178.5	91.2	-6.2	112.4	L65 E66 E67 R71 G72 L114	L65-R69 WeakPolarHBondContact O-CB 3.43Å; L65-R69 PolarHBondContact O-N 3.5Å; E66-R69 PolarHBondContact O-N 2.92Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.19Å; R69-R71 PolarHBondContact O-N 2.96Å; R69-G72 PolarHBondContact O-N 3.14Å; R69-G72 VanDerWaalsContact O-N 3.1Å; R69-L114 WeakPolarHBondContact CD-O 3.32Å; R69-L114 HydrophobicContact CG-CB 4.34Å; R69-L114 WeakPolarHBondContact CG-O 3.26Å; R69-L114 PolarHBondContact NE-O 2.97Å
70	Q	98	Very high	98.5	Very high	151 Å²	151	39.1 Å²	39.1	71%	0.706	20%	0.196	S	C	*	.	H	α-helix	trans	-61	-33.3	174.6	-74.5	171	16.4	0	0	111.8	E66 E67 G72	E66-Q70 VanDerWaalsContact O-CG 3.26Å; E66-Q70 WeakPolarHBondContact O-CG 3.18Å; E66-Q70 PolarHBondContact O-N 3.48Å; E67-Q70 WeakPolarHBondContact O-CB 3.3Å; E67-Q70 PolarHBondContact O-N 3.35Å; Q70-G72 VanDerWaalsContact C-N 3.28Å; Q70-G72 PolarHBondContact O-N 2.83Å
71	R	97.8	Very high	98.5	Very high	109 Å²	109	37.9 Å²	37.9	41%	0.411	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.8	177.4	-59.8	169.6	63.3	-172	-6.8	113.8	E67 A68 R69 L289	E67-R71 HydrophobicContact CG-CG 4.47Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.31Å; E67-R71 PolarHBondContact O-N 3.42Å; E67-R71 WeakPolarHBondContact OE1-CD 3.3Å; E67-R71 IonicContact OE1-CZ 3.81Å; E67-R71 IonicContact OE1-NH1 2.84Å; E67-R71 PolarHBondContact OE1-NH1 3.44Å; A68-R71 CarbonylContact O-C 3.44Å; A68-R71 PolarHBondContact O-N 3.02Å; R69-R71 PolarHBondContact O-N 2.96Å; R71-L289 HydrophobicContact CB-CD1 3.63Å
72	G	97.3	Very high	98.5	Very high	41 Å²	41	37.7 Å²	37.7	42%	0.423	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	7.6	170.3	0	0	0	0	0	115.8	A68 R69 Q70 C74	A68-G72 PolarHBondContact O-N 2.89Å; R69-G72 PolarHBondContact O-N 3.14Å; R69-G72 VanDerWaalsContact O-N 3.1Å; Q70-G72 VanDerWaalsContact C-N 3.28Å; Q70-G72 PolarHBondContact O-N 2.83Å; G72-C74 PolarHBondContact O-N 3.48Å
73	A	98.4	Very high	98.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.6	175.1	0	0	0	0	0	111	V42 A44 A68 V76 L289	V42-A73 HydrophobicContact CG1-CB 4.41Å; V42-A73 CarbonylContact O-C 3.6Å; V42-A73 VanDerWaalsContact O-CA 3.3Å; V42-A73 WeakPolarHBondContact O-CA 3.17Å; A44-A73 HydrophobicContact CB-CB 3.84Å; A68-A73 HydrophobicContact CB-CB 4.06Å; A68-A73 VanDerWaalsContact O-CB 3.3Å; A68-A73 WeakPolarHBondContact O-CB 3.45Å; A68-A73 PolarHBondContact O-N 3.41Å; A73-V76 HydrophobicContact CB-CG2 4.45Å; A73-L289 HydrophobicContact CB-CD2 4.28Å
74	C	98.3	Very high	98.5	Very high	34 Å²	34	28.7 Å²	28.7	23%	0.23	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-13	173.5	64.8	0	0	0	0	112.8	V42 G72 V116 W117	V42-C74 PolarHBondContact O-N 2.84Å; V42-C74 PolarHBondContact O-SG 2.58Å; V42-C74 VanDerWaalsContact O-SG 3.38Å; G72-C74 PolarHBondContact O-N 3.48Å; C74-V116 WeakPolarHBondContact O-CG2 3.47Å; C74-W117 PolarHBondContact O-N 3.02Å
75	M	98.8	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.9	172.2	-171.1	167.2	-178.4	0	0	111.1	A43 A44 F77 W117 I142 T188 I190 V193	A43-M75 CarbonylContact C-O 3.55Å; A43-M75 VanDerWaalsContact CA-O 3.31Å; A43-M75 WeakPolarHBondContact CA-O 3.38Å; A44-M75 PolarHBondContact N-O 3.16Å; M75-F77 HydrophobicContact CB-CE2 4.26Å; M75-F77 HydrophobicContact CE-CE1 3.88Å; M75-F77 HydrophobicContact CE-CE2 4.36Å; M75-F77 HydrophobicContact CE-CZ 3.63Å; M75-F77 HydrophobicContact CG-CD2 4.47Å; M75-F77 HydrophobicContact CG-CE2 3.72Å; M75-F77 HydrophobicContact CG-CZ 3.92Å; M75-F77 HydrophobicContact SD-CE2 4.07Å; M75-F77 HydrophobicContact SD-CZ 3.67Å; M75-W117 CarbonylContact C-O 3.43Å; M75-W117 VanDerWaalsContact CA-O 3.28Å; M75-W117 WeakPolarHBondContact CA-O 3.21Å; M75-W117 HydrophobicContact CB-CB 3.96Å; M75-W117 HydrophobicContact CG-CB 3.75Å; M75-W117 HydrophobicContact SD-CB 4.3Å; M75-I142 HydrophobicContact CE-CD1 4.01Å; M75-T188 HydrophobicContact CE-CG2 4.21Å; M75-T188 HydrophobicContact SD-CG2 4.07Å; M75-I190 HydrophobicContact CB-CD1 4.28Å; M75-I190 HydrophobicContact CB-CG2 4.41Å; M75-I190 HydrophobicContact CG-CD1 4.4Å; M75-I190 HydrophobicContact SD-CD1 3.68Å; M75-I190 HydrophobicContact SD-CG1 3.86Å; M75-V193 HydrophobicContact CE-CG2 4.34Å; M75-V193 HydrophobicContact SD-CG2 4.35Å
76	V	98.9	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.2	-177.5	-173.8	0	0	0	0	110.2	A44 C46 L65 A68 A73 V116 W117 L118 S119	A44-V76 HydrophobicContact CB-CG1 4.26Å; A44-V76 HydrophobicContact CB-CG2 4.26Å; A44-V76 WeakPolarHBondContact O-CA 3.43Å; C46-V76 WeakPolarHBondContact SG-CG1 3.47Å; L65-V76 HydrophobicContact CD1-CB 4.45Å; L65-V76 HydrophobicContact CD1-CG1 3.7Å; L65-V76 HydrophobicContact CG-CB 4.44Å; L65-V76 HydrophobicContact CG-CG1 4.15Å; A68-V76 HydrophobicContact CB-CG1 4.41Å; A68-V76 HydrophobicContact CB-CG2 3.68Å; A73-V76 HydrophobicContact CB-CG2 4.45Å; V76-V116 HydrophobicContact CG2-CG2 3.82Å; V76-W117 PolarHBondContact N-O 3.4Å; V76-L118 HydrophobicContact CB-CD2 4.06Å; V76-L118 WeakPolarHBondContact O-CA 3.2Å; V76-S119 PolarHBondContact O-N 2.81Å
77	F	98.9	Very high	98.1	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.6	-177.6	-63.8	-100.8	0	0	0	110	A43 A44 C46 M75 S119 I190 V193 T219 L249 A251	A43-F77 HydrophobicContact CB-CD2 4.41Å; A43-F77 HydrophobicContact CB-CE2 3.89Å; A44-F77 WeakPolarHBondContact O-CD2 3.22Å; A44-F77 PolarHBondContact O-N 2.88Å; C46-F77 WeakPolarHBondContact CB-O 3.39Å; C46-F77 PolarHBondContact N-O 3.14Å; M75-F77 HydrophobicContact CB-CE2 4.26Å; M75-F77 HydrophobicContact CE-CE1 3.88Å; M75-F77 HydrophobicContact CE-CE2 4.36Å; M75-F77 HydrophobicContact CE-CZ 3.63Å; M75-F77 HydrophobicContact CG-CD2 4.47Å; M75-F77 HydrophobicContact CG-CE2 3.72Å; M75-F77 HydrophobicContact CG-CZ 3.92Å; M75-F77 HydrophobicContact SD-CE2 4.07Å; M75-F77 HydrophobicContact SD-CZ 3.67Å; F77-S119 VanDerWaalsContact CD1-OG 3.23Å; F77-S119 WeakPolarHBondContact CD1-OG 3.45Å; F77-I190 HydrophobicContact CE2-CD1 3.84Å; F77-I190 HydrophobicContact CZ-CD1 3.67Å; F77-V193 HydrophobicContact CE1-CG1 4.33Å; F77-T219 HydrophobicContact CD1-CG2 3.97Å; F77-T219 HydrophobicContact CE1-CG2 3.58Å; F77-L249 HydrophobicContact CD2-CD1 4.21Å; F77-L249 HydrophobicContact CE1-CD1 4.4Å; F77-L249 HydrophobicContact CE2-CD1 3.62Å; F77-L249 HydrophobicContact CZ-CD1 3.74Å; F77-A251 HydrophobicContact CB-CB 4.11Å; F77-A251 WeakPolarHBondContact O-CB 3.27Å
78	L	98.9	Very high	97.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	150.2	172.9	-66.4	-177.1	0	0	0	110.7	C46 C61 L65 F82 Y107 S119 L120 G121 A251	C46-L78 HydrophobicContact CB-CD2 3.86Å; C61-L78 HydrophobicContact CB-CD1 4.01Å; C61-L78 HydrophobicContact CB-CD2 4.34Å; L65-L78 HydrophobicContact CD1-CD1 3.95Å; L65-L78 HydrophobicContact CD1-CD2 3.76Å; L65-L78 HydrophobicContact CD1-CG 4.03Å; L78-F82 HydrophobicContact CB-CB 3.99Å; L78-F82 HydrophobicContact CB-CG 4.2Å; L78-F82 HydrophobicContact CD1-CB 4.45Å; L78-F82 HydrophobicContact CD1-CD2 4.06Å; L78-F82 HydrophobicContact CD1-CG 4.32Å; L78-Y107 HydrophobicContact CD1-CD1 4.43Å; L78-Y107 HydrophobicContact CD1-CE1 3.61Å; L78-S119 PolarHBondContact N-O 3.42Å; L78-L120 HydrophobicContact CD1-CD2 3.82Å; L78-G121 VanDerWaalsContact O-CA 3.28Å; L78-G121 WeakPolarHBondContact O-CA 3.36Å; L78-G121 PolarHBondContact O-N 3.12Å; L78-G121 VanDerWaalsContact O-N 3.09Å; L78-A251 VanDerWaalsContact C-CB 3.49Å
79	P	98.8	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.			trans	-76.1	175.3	-174.4	29	-33.4	0	0	0	114.1	V48 F82 A251 A252 Q253	V48-P79 HydrophobicContact CB-CG 4.35Å; V48-P79 HydrophobicContact CG1-CG 4.3Å; V48-P79 HydrophobicContact CG2-CG 3.41Å; V48-P79 VanDerWaalsContact CG2-CG 3.41Å; P79-F82 WeakPolarHBondContact O-CB 3.02Å; P79-F82 WeakPolarHBondContact O-CD1 3.49Å; P79-F82 PolarHBondContact O-N 2.94Å; P79-A251 HydrophobicContact CB-CB 4.16Å; P79-A252 VanDerWaalsContact CB-C 3.44Å; P79-Q253 HydrophobicContact CB-CG 4.22Å; P79-Q253 HydrophobicContact CG-CG 4.32Å
80	E	98.7	Very high	97.4	Very high	15 Å²	15	34.7 Å²	34.7	7%	0.07	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	137.1	166.1	179.1	-177.4	-139.7	0	0	109.8	F82 N138 K155 I197 C198 A223 Q253	E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.38Å; E80-N138 PolarHBondContact OE1-ND2 2.96Å; E80-K155 IonicContact OE1-NZ 2.78Å; E80-K155 PolarHBondContact OE1-NZ 2.93Å; E80-I197 HydrophobicContact CB-CG2 4.16Å; E80-I197 HydrophobicContact CG-CG2 3.96Å; E80-C198 WeakPolarHBondContact OE2-CB 3.45Å; E80-C198 PolarHBondContact OE2-SG 2.94Å; E80-A223 PolarHBondContact OE2-N 2.86Å; E80-Q253 VanDerWaalsContact O-CG 3.29Å; E80-Q253 WeakPolarHBondContact O-CG 3.38Å; E80-Q253 PolarHBondContact O-NE2 3.15Å
81	G	98.3	Very high	97.3	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	29.7	-177.9	0	0	0	0	0	113.9	A50 D83 Y84 G122 Q253	A50-G81 WeakPolarHBondContact CB-O 3.3Å; G81-D83 WeakPolarHBondContact CA-OD1 3.31Å; G81-D83 PolarHBondContact O-N 2.91Å; G81-Y84 CarbonylContact O-C 3.55Å; G81-Y84 PolarHBondContact O-N 2.75Å; G81-G122 WeakPolarHBondContact CA-O 3.4Å; G81-G122 PolarHBondContact N-O 3.4Å; G81-Q253 VanDerWaalsContact C-NE2 3.32Å; G81-Q253 PolarHBondContact O-NE2 3.01Å
82	F	98.8	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-61.7	-27.3	177	71.6	-84.4	0	0	0	112.6	L78 P79 E80 Y107 L120 F123	L78-F82 HydrophobicContact CB-CB 3.99Å; L78-F82 HydrophobicContact CB-CG 4.2Å; L78-F82 HydrophobicContact CD1-CB 4.45Å; L78-F82 HydrophobicContact CD1-CD2 4.06Å; L78-F82 HydrophobicContact CD1-CG 4.32Å; P79-F82 WeakPolarHBondContact O-CB 3.02Å; P79-F82 WeakPolarHBondContact O-CD1 3.49Å; P79-F82 PolarHBondContact O-N 2.94Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.38Å; F82-Y107 AromaticContact CD2-CE2 3.87Å; F82-Y107 HydrophobicContact CD2-CE2 3.87Å; F82-Y107 AromaticContact CD2-CZ 3.79Å; F82-Y107 AromaticContact CE2-CD2 3.85Å; F82-Y107 HydrophobicContact CE2-CD2 3.85Å; F82-Y107 AromaticContact CE2-CE2 3.34Å; F82-Y107 HydrophobicContact CE2-CE2 3.34Å; F82-Y107 AromaticContact CE2-CZ 3.74Å; F82-Y107 HydrophobicContact CZ-CE2 4.45Å; F82-L120 HydrophobicContact CD1-CB 4.35Å; F82-L120 HydrophobicContact CE1-CB 3.62Å; F82-L120 HydrophobicContact CE2-CD1 4.43Å; F82-L120 HydrophobicContact CE2-CD2 4.23Å; F82-L120 HydrophobicContact CZ-CB 3.76Å; F82-L120 HydrophobicContact CZ-CD1 3.95Å; F82-L120 HydrophobicContact CZ-CD2 4.22Å; F82-L120 HydrophobicContact CZ-CG 4.2Å; F82-F123 HydrophobicContact CE1-CB 3.84Å; F82-F123 HydrophobicContact CZ-CB 4.07Å
83	D	98.6	Very high	97.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	13%	0.129	C	C	.	.	S	Bend	trans	-68.6	-51.8	176.5	53.6	-13.9	0	0	0	110.4	N57 G81 I103 F123 H124	N57-D83 WeakPolarHBondContact CB-O 3.42Å; N57-D83 PolarHBondContact ND2-O 2.98Å; G81-D83 WeakPolarHBondContact CA-OD1 3.31Å; G81-D83 PolarHBondContact O-N 2.91Å; D83-I103 HydrophobicContact CB-CG1 4.36Å; D83-F123 HydrophobicContact CB-CD2 4.35Å; D83-F123 VanDerWaalsContact OD2-CD2 3.27Å; D83-F123 WeakPolarHBondContact OD2-CD2 3.37Å; D83-H124 VanDerWaalsContact CG-ND1 3.34Å; D83-H124 IonicContact OD1-CE1 2.7Å; D83-H124 PolarHBondContact OD1-CE1 2.84Å; D83-H124 IonicContact OD1-ND1 3.41Å; D83-H124 PolarHBondContact OD1-ND1 3.37Å; D83-H124 WeakPolarHBondContact OD2-CB 3.19Å; D83-H124 IonicContact OD2-CG 2.93Å; D83-H124 PolarHBondContact OD2-N 2.94Å; D83-H124 IonicContact OD2-ND1 3.49Å; D83-H124 PolarHBondContact OD2-ND1 3.29Å; D83-H124 VanDerWaalsContact OD2-ND1 3.07Å
84	Y	98.6	Very high	97.1	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.15	C	C	.	.			trans	-168	165.5	173.1	60.1	-88.6	0	0	0	112.9	T51 K54 N57 G81 T92 M95 S96 H124	T51-Y84 WeakPolarHBondContact O-CA 3.11Å; T51-Y84 WeakPolarHBondContact O-CB 3.35Å; K54-Y84 HydrophobicContact CD-CD1 3.77Å; K54-Y84 HydrophobicContact CD-CE1 4.28Å; K54-Y84 HydrophobicContact CD-CG 4.48Å; K54-Y84 HydrophobicContact CG-CD1 3.74Å; K54-Y84 HydrophobicContact CG-CG 4.11Å; N57-Y84 VanDerWaalsContact ND2-CA 3.32Å; N57-Y84 WeakPolarHBondContact ND2-CA 3.24Å; G81-Y84 CarbonylContact O-C 3.55Å; G81-Y84 PolarHBondContact O-N 2.75Å; Y84-T92 HydrophobicContact CE2-CG2 4.09Å; Y84-T92 PolarHBondContact OH-O 2.79Å; Y84-M95 HydrophobicContact CD1-CB 4.3Å; Y84-M95 HydrophobicContact CD2-CB 4.47Å; Y84-M95 HydrophobicContact CD2-CE 3.43Å; Y84-M95 VanDerWaalsContact CD2-CE 3.43Å; Y84-M95 HydrophobicContact CE1-CB 3.86Å; Y84-M95 WeakPolarHBondContact CE1-O 3.48Å; Y84-M95 HydrophobicContact CE2-CB 4.04Å; Y84-M95 HydrophobicContact CE2-CE 3.82Å; Y84-M95 HydrophobicContact CG-CE 3.85Å; Y84-S96 VanDerWaalsContact OH-CA 3.32Å; Y84-S96 WeakPolarHBondContact OH-CA 3.42Å; Y84-S96 PolarHBondContact OH-N 3.33Å; Y84-S96 VanDerWaalsContact OH-N 3.12Å; Y84-H124 HydrophobicContact CE1-CB 4.05Å; Y84-H124 AromaticContact CE1-ND1 3.93Å; Y84-H124 AromaticContact CE2-ND1 3.91Å; Y84-H124 AromaticContact CZ-CG 3.6Å; Y84-H124 AromaticContact CZ-ND1 3.69Å; Y84-H124 PolarHBondContact O-CE1 2.73Å; Y84-H124 WeakPolarHBondContact OH-CB 3.02Å
85	I	97.8	Very high	97.1	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.082	15%	0.148	C	C	.	.			trans	-126.5	106.7	164.2	-69.6	173.3	0	0	0	107.7	A50 T51 P52 Q253 H257 R261	A50-I85 HydrophobicContact CB-CD1 4.25Å; A50-I85 HydrophobicContact CB-CG1 4.15Å; T51-I85 CarbonylContact C-O 3.52Å; T51-I85 PolarHBondContact O-N 3.37Å; T51-I85 VanDerWaalsContact O-N 3.08Å; P52-I85 WeakPolarHBondContact CD-O 3.44Å; P52-I85 WeakPolarHBondContact CG-O 3.42Å; I85-Q253 HydrophobicContact CD1-CG 3.89Å; I85-H257 HydrophobicContact CB-CB 4.24Å; I85-H257 WeakPolarHBondContact CD1-ND1 3.49Å; I85-H257 HydrophobicContact CG2-CB 3.91Å; I85-R261 HydrophobicContact CG2-CG 4.26Å
86	G	96	Very high	97	Very high	11 Å²	11	27.3 Å²	27.3	11%	0.113	15%	0.148	C	C	.	.			trans	-73	149	-179.6	0	0	0	0	0	112.7	S88 H258	G86-S88 VanDerWaalsContact C-N 3.32Å; G86-H258 PolarHBondContact O-NE2 3.15Å
87	S	94	Very high	97	Very high	55 Å²	55	28.5 Å²	28.5	39%	0.385	15%	0.154	S	C	.	.	S	Bend	trans	-79.5	-15.6	179.6	-50.2	0	0	0	0	113.3	P52 E91	P52-S87 VanDerWaalsContact CG-OG 3.28Å; P52-S87 WeakPolarHBondContact CG-OG 3.24Å; S87-E91 WeakPolarHBondContact CA-OE2 3.37Å; S87-E91 WeakPolarHBondContact CB-OE2 3.32Å; S87-E91 PolarHBondContact N-OE2 3.01Å; S87-E91 PolarHBondContact OG-OE2 3.14Å
88	S	92.9	Very high	97	Very high	62 Å²	62	31.5 Å²	31.5	43%	0.434	17%	0.173	S	C	.	.	S	Bend	trans	-148.5	163.4	178	74.3	0	0	0	0	111.2	G86 E90 E91 T92	G86-S88 VanDerWaalsContact C-N 3.32Å; S88-E90 VanDerWaalsContact C-N 3.34Å; S88-E90 PolarHBondContact O-N 2.79Å; S88-E91 PolarHBondContact O-N 2.97Å; S88-E91 WeakPolarHBondContact OG-CB 3.27Å; S88-E91 PolarHBondContact OG-N 2.83Å; S88-E91 VanDerWaalsContact OG-N 3.17Å; S88-T92 PolarHBondContact O-N 3.38Å; S88-T92 PolarHBondContact O-OG1 3.42Å
89	R	92.6	Very high	96.8	Very high	127 Å²	127	33.6 Å²	33.6	48%	0.479	18%	0.184	S	C	.	.	H	α-helix	trans	-55.8	-48.4	174.1	174.9	-177.3	170.9	161.7	6.8	111.8	E91 T92 L93 A174 F175	R89-E91 VanDerWaalsContact C-N 3.35Å; R89-E91 PolarHBondContact O-N 2.9Å; R89-T92 PolarHBondContact O-N 2.89Å; R89-L93 HydrophobicContact CG-CD1 3.93Å; R89-L93 HydrophobicContact CG-CG 4.33Å; R89-L93 VanDerWaalsContact O-CG 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 3.32Å; R89-A174 PolarHBondContact NH1-O 2.93Å; R89-A174 PolarHBondContact NH2-O 2.93Å; R89-A174 VanDerWaalsContact NH2-O 3.14Å; R89-F175 HydrophobicContact CG-CB 4.27Å; R89-F175 HydrophobicContact CG-CD1 4.01Å; R89-F175 HydrophobicContact CG-CG 4.12Å
90	E	94.9	Very high	96.6	Very high	99 Å²	99	36.8 Å²	36.8	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-64.9	-41.3	-176.4	-174.3	58.6	-150.6	0	0	111.4	S88 L93 S94 R134	S88-E90 VanDerWaalsContact C-N 3.34Å; S88-E90 PolarHBondContact O-N 2.79Å; E90-L93 PolarHBondContact O-N 3.45Å; E90-S94 WeakPolarHBondContact O-CB 3.35Å; E90-S94 PolarHBondContact O-N 2.96Å; E90-S94 PolarHBondContact O-OG 2.88Å; E90-R134 IonicContact OE1-CZ 2.8Å; E90-R134 IonicContact OE1-NH1 3.19Å; E90-R134 PolarHBondContact OE1-NH1 2.95Å; E90-R134 IonicContact OE1-NH2 2.83Å; E90-R134 PolarHBondContact OE1-NH2 2.79Å; E90-R134 IonicContact OE2-CZ 3.32Å; E90-R134 IonicContact OE2-NH1 3Å; E90-R134 PolarHBondContact OE2-NH1 2.88Å; E90-R134 VanDerWaalsContact OE2-NH1 3.13Å; E90-R134 IonicContact OE2-NH2 2.7Å
91	E	95.8	Very high	96.6	Very high	64 Å²	64	36.6 Å²	36.6	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-48.1	174.9	-173.4	173.9	-116.7	0	0	110.7	S87 S88 R89 L93 S94 M95	S87-E91 WeakPolarHBondContact CA-OE2 3.37Å; S87-E91 WeakPolarHBondContact CB-OE2 3.32Å; S87-E91 PolarHBondContact N-OE2 3.01Å; S87-E91 PolarHBondContact OG-OE2 3.14Å; S88-E91 PolarHBondContact O-N 2.97Å; S88-E91 WeakPolarHBondContact OG-CB 3.27Å; S88-E91 PolarHBondContact OG-N 2.83Å; S88-E91 VanDerWaalsContact OG-N 3.17Å; R89-E91 VanDerWaalsContact C-N 3.35Å; R89-E91 PolarHBondContact O-N 2.9Å; E91-L93 PolarHBondContact O-N 3.17Å; E91-S94 PolarHBondContact O-N 3.42Å; E91-S94 PolarHBondContact O-OG 3.38Å; E91-M95 HydrophobicContact CG-CE 3.66Å; E91-M95 HydrophobicContact CG-SD 4.34Å; E91-M95 WeakPolarHBondContact O-CG 3.28Å; E91-M95 PolarHBondContact O-N 3.48Å
92	T	95.9	Very high	96.6	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-49.4	175	-66	0	0	0	0	111.7	Y84 S88 R89 S94 M95 S96 I136 F175	Y84-T92 HydrophobicContact CE2-CG2 4.09Å; Y84-T92 PolarHBondContact OH-O 2.79Å; S88-T92 PolarHBondContact O-N 3.38Å; S88-T92 PolarHBondContact O-OG1 3.42Å; R89-T92 PolarHBondContact O-N 2.89Å; T92-S94 PolarHBondContact O-N 2.94Å; T92-M95 PolarHBondContact O-N 3.17Å; T92-S96 PolarHBondContact O-N 2.83Å; T92-I136 HydrophobicContact CG2-CD1 4.06Å; T92-F175 HydrophobicContact CG2-CE2 4.13Å
93	L	96.9	Very high	96.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-45	-179.4	-69.2	179.6	0	0	0	111.8	R89 E90 E91 M95 S96 W130 R134 I136 F175	R89-L93 HydrophobicContact CG-CD1 3.93Å; R89-L93 HydrophobicContact CG-CG 4.33Å; R89-L93 VanDerWaalsContact O-CG 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 3.32Å; E90-L93 PolarHBondContact O-N 3.45Å; E91-L93 PolarHBondContact O-N 3.17Å; L93-M95 PolarHBondContact O-N 3.48Å; L93-S96 WeakPolarHBondContact O-CB 3.18Å; L93-S96 PolarHBondContact O-N 2.85Å; L93-S96 PolarHBondContact O-OG 3.22Å; L93-W130 HydrophobicContact CB-CH2 4.02Å; L93-W130 HydrophobicContact CD2-CH2 4.37Å; L93-W130 HydrophobicContact CD2-CZ3 4.13Å; L93-W130 WeakPolarHBondContact O-CH2 3.39Å; L93-R134 WeakPolarHBondContact CD1-O 3.35Å; L93-R134 VanDerWaalsContact CD2-O 3.22Å; L93-R134 WeakPolarHBondContact CD2-O 3.46Å; L93-I136 HydrophobicContact CD2-CG1 4.26Å; L93-I136 HydrophobicContact CD2-CG2 3.83Å; L93-F175 HydrophobicContact CD1-CB 4.48Å; L93-F175 HydrophobicContact CD2-CB 4.29Å; L93-F175 HydrophobicContact CD2-CD2 4.29Å
94	S	96.9	Very high	96.5	Very high	66 Å²	66	41 Å²	41	46%	0.462	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-30.6	-178.2	74.5	0	0	0	0	113.8	E90 E91 T92	E90-S94 WeakPolarHBondContact O-CB 3.35Å; E90-S94 PolarHBondContact O-N 2.96Å; E90-S94 PolarHBondContact O-OG 2.88Å; E91-S94 PolarHBondContact O-N 3.42Å; E91-S94 PolarHBondContact O-OG 3.38Å; T92-S94 PolarHBondContact O-N 2.94Å
95	M	97.6	Very high	96.5	Very high	35 Å²	35	42.9 Å²	42.9	17%	0.172	26%	0.255	C	S	.	.	H	α-helix	trans	-92.1	-8.5	-176.5	-71	-166.1	-55	0	0	113.9	P52 K54 Y84 E91 T92 L93	P52-M95 HydrophobicContact CB-CE 4.38Å; P52-M95 VanDerWaalsContact O-SD 3.42Å; K54-M95 HydrophobicContact CD-CB 4.11Å; K54-M95 HydrophobicContact CD-CG 4.44Å; K54-M95 HydrophobicContact CD-SD 4.26Å; K54-M95 HydrophobicContact CG-SD 4.44Å; K54-M95 PolarHBondContact NZ-O 2.91Å; Y84-M95 HydrophobicContact CD1-CB 4.3Å; Y84-M95 HydrophobicContact CD2-CB 4.47Å; Y84-M95 HydrophobicContact CD2-CE 3.43Å; Y84-M95 VanDerWaalsContact CD2-CE 3.43Å; Y84-M95 HydrophobicContact CE1-CB 3.86Å; Y84-M95 WeakPolarHBondContact CE1-O 3.48Å; Y84-M95 HydrophobicContact CE2-CB 4.04Å; Y84-M95 HydrophobicContact CE2-CE 3.82Å; Y84-M95 HydrophobicContact CG-CE 3.85Å; E91-M95 HydrophobicContact CG-CE 3.66Å; E91-M95 HydrophobicContact CG-SD 4.34Å; E91-M95 WeakPolarHBondContact O-CG 3.28Å; E91-M95 PolarHBondContact O-N 3.48Å; T92-M95 PolarHBondContact O-N 3.17Å; L93-M95 PolarHBondContact O-N 3.48Å
96	S	97.9	Very high	96.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	26%	0.26	C	S	.	.			trans	-64.6	151.8	176.6	69.6	0	0	0	0	111.9	Y84 T92 L93 H124 R126 W130	Y84-S96 VanDerWaalsContact OH-CA 3.32Å; Y84-S96 WeakPolarHBondContact OH-CA 3.42Å; Y84-S96 PolarHBondContact OH-N 3.33Å; Y84-S96 VanDerWaalsContact OH-N 3.12Å; T92-S96 PolarHBondContact O-N 2.83Å; L93-S96 WeakPolarHBondContact O-CB 3.18Å; L93-S96 PolarHBondContact O-N 2.85Å; L93-S96 PolarHBondContact O-OG 3.22Å; S96-H124 WeakPolarHBondContact CB-O 3.49Å; S96-R126 VanDerWaalsContact O-CZ 3.3Å; S96-R126 PolarHBondContact O-NE 2.86Å; S96-R126 PolarHBondContact O-NH2 2.91Å; S96-R126 WeakPolarHBondContact OG-CG 3.22Å; S96-W130 VanDerWaalsContact OG-CH2 3.32Å; S96-W130 WeakPolarHBondContact OG-CH2 3.22Å
97	E	98.2	Very high	96.7	Very high	26 Å²	26	43.9 Å²	43.9	12%	0.121	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-133.1	154	-176.4	-78.2	179.8	-134.2	0	0	110.6	K54 G101 D102 I103 F123 H124 E125 R126	K54-E97 IonicContact NZ-OE1 3.74Å; K54-E97 PolarHBondContact NZ-OE1 3.08Å; E97-G101 VanDerWaalsContact OE2-C 3.28Å; E97-G101 WeakPolarHBondContact OE2-CA 3.49Å; E97-D102 PolarHBondContact OE2-N 3.43Å; E97-I103 PolarHBondContact OE2-N 3.32Å; E97-F123 HydrophobicContact CB-CE2 4.12Å; E97-F123 HydrophobicContact CB-CZ 3.69Å; E97-F123 VanDerWaalsContact O-CZ 3.3Å; E97-F123 WeakPolarHBondContact O-CZ 3.35Å; E97-H124 PolarHBondContact N-O 3.48Å; E97-E125 CarbonylContact O-C 3.58Å; E97-E125 WeakPolarHBondContact O-CA 3.32Å; E97-R126 PolarHBondContact O-N 3.02Å
98	P	97.8	Very high	97	Very high	63 Å²	63	42.1 Å²	42.1	41%	0.409	24%	0.242	S	C	.	.			trans	-66.7	163	166.4	31.5	-34.7	0	0	0	110.4	G100 G101	P98-G100 PolarHBondContact O-N 3.39Å; P98-G100 VanDerWaalsContact O-N 3.11Å; P98-G101 WeakPolarHBondContact O-CA 3.47Å; P98-G101 PolarHBondContact O-N 2.92Å
99	L	95.9	Very high	97.2	Very high	45 Å²	45	45 Å²	45	24%	0.236	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.5	178.1	-169.6	70.3	0	0	0	113.5	G101 I104 E125 V141 I149 V152	L99-G101 VanDerWaalsContact C-N 3.3Å; L99-I104 VanDerWaalsContact O-CB 3.31Å; L99-I104 WeakPolarHBondContact O-CB 3.21Å; L99-I104 VanDerWaalsContact O-CG2 3.28Å; L99-I104 WeakPolarHBondContact O-CG2 3.41Å; L99-E125 HydrophobicContact CB-CG 4.47Å; L99-V141 HydrophobicContact CD1-CG2 3.83Å; L99-I149 HydrophobicContact CD1-CD1 4.38Å; L99-I149 HydrophobicContact CD2-CD1 4.24Å; L99-I149 HydrophobicContact CG-CD1 4.07Å; L99-V152 HydrophobicContact CD1-CG2 4.13Å; L99-V152 HydrophobicContact CD2-CG2 3.77Å
100	G	94.8	Very high	97.5	Very high	67 Å²	67	39.3 Å²	39.3	69%	0.691	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	12.5	173.6	0	0	0	0	0	115	P98	P98-G100 PolarHBondContact O-N 3.39Å; P98-G100 VanDerWaalsContact O-N 3.11Å
101	G	97.6	Very high	97.7	Very high	11 Å²	11	34.6 Å²	34.6	11%	0.113	21%	0.205	C	C	.	.	S	Bend	trans	-69.7	-179.9	-178.3	0	0	0	0	0	114.5	E97 P98 L99 S105	E97-G101 VanDerWaalsContact OE2-C 3.28Å; E97-G101 WeakPolarHBondContact OE2-CA 3.49Å; P98-G101 WeakPolarHBondContact O-CA 3.47Å; P98-G101 PolarHBondContact O-N 2.92Å; L99-G101 VanDerWaalsContact C-N 3.3Å; G101-S105 VanDerWaalsContact O-CB 3.28Å; G101-S105 WeakPolarHBondContact O-CB 3.48Å; G101-S105 PolarHBondContact O-N 2.92Å; G101-S105 VanDerWaalsContact O-N 3.12Å; G101-S105 PolarHBondContact O-OG 3.25Å
102	D	98.2	Very high	97.9	Very high	91 Å²	91	38 Å²	38	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-60.7	-47	-179.2	179.8	66.7	0	0	0	111.6	E97 I104 S105 R106	E97-D102 PolarHBondContact OE2-N 3.43Å; D102-I104 PolarHBondContact O-N 2.9Å; D102-S105 WeakPolarHBondContact O-CB 3.42Å; D102-S105 PolarHBondContact O-N 2.95Å; D102-S105 VanDerWaalsContact O-N 3.15Å; D102-R106 WeakPolarHBondContact O-CG 3.19Å; D102-R106 PolarHBondContact O-N 3Å; D102-R106 WeakPolarHBondContact OD2-CD 3.46Å; D102-R106 IonicContact OD2-NH1 3.61Å; D102-R106 PolarHBondContact OD2-NH1 3.38Å
103	I	98.4	Very high	98	Very high	3 Å²	3	45 Å²	45	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-47	-171.4	-165.4	64.5	0	0	0	111.6	F58 D83 E97 S105 R106 Y107 F123	F58-I103 HydrophobicContact CB-CD1 4.21Å; F58-I103 HydrophobicContact CD2-CD1 3.9Å; F58-I103 HydrophobicContact CG-CD1 4.43Å; D83-I103 HydrophobicContact CB-CG1 4.36Å; E97-I103 PolarHBondContact OE2-N 3.32Å; I103-S105 VanDerWaalsContact C-N 3.33Å; I103-S105 PolarHBondContact O-N 3.21Å; I103-R106 PolarHBondContact O-N 3.34Å; I103-Y107 HydrophobicContact CD1-CD2 4.48Å; I103-Y107 HydrophobicContact CD1-CE2 3.95Å; I103-Y107 HydrophobicContact CG1-CD2 4.25Å; I103-Y107 HydrophobicContact CG1-CE2 3.98Å; I103-Y107 VanDerWaalsContact O-CD2 3.22Å; I103-Y107 WeakPolarHBondContact O-CD2 3.28Å; I103-Y107 PolarHBondContact O-N 3.01Å; I103-Y107 VanDerWaalsContact O-N 3.13Å; I103-F123 HydrophobicContact CG2-CD2 3.91Å; I103-F123 HydrophobicContact CG2-CE2 3.27Å; I103-F123 HydrophobicContact CG2-CZ 3.94Å
104	I	98.6	Very high	98.1	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-65.1	-39.1	175.9	-64.9	-63.9	0	0	0	110.5	L99 D102 R106 Y107 T108 L120 F123 V141 I149	L99-I104 VanDerWaalsContact O-CB 3.31Å; L99-I104 WeakPolarHBondContact O-CB 3.21Å; L99-I104 VanDerWaalsContact O-CG2 3.28Å; L99-I104 WeakPolarHBondContact O-CG2 3.41Å; D102-I104 PolarHBondContact O-N 2.9Å; I104-R106 VanDerWaalsContact C-N 3.29Å; I104-R106 PolarHBondContact O-N 3.45Å; I104-Y107 PolarHBondContact O-N 3.06Å; I104-T108 HydrophobicContact CG2-CG2 4.27Å; I104-T108 WeakPolarHBondContact O-CG2 3.37Å; I104-T108 PolarHBondContact O-N 3.45Å; I104-T108 PolarHBondContact O-OG1 3.25Å; I104-L120 HydrophobicContact CD1-CD1 3.69Å; I104-F123 HydrophobicContact CD1-CB 4.36Å; I104-F123 HydrophobicContact CD1-CD1 3.96Å; I104-F123 HydrophobicContact CD1-CD2 4.29Å; I104-F123 HydrophobicContact CD1-CE1 4.32Å; I104-F123 HydrophobicContact CD1-CG 3.94Å; I104-F123 HydrophobicContact CG1-CD1 3.98Å; I104-F123 HydrophobicContact CG1-CD2 4.43Å; I104-F123 HydrophobicContact CG1-CE1 3.81Å; I104-F123 HydrophobicContact CG1-CE2 4.32Å; I104-F123 HydrophobicContact CG1-CG 4.28Å; I104-F123 HydrophobicContact CG1-CZ 3.98Å; I104-V141 HydrophobicContact CD1-CG2 4.41Å; I104-I149 HydrophobicContact CG2-CD1 3.86Å
105	S	98.7	Very high	98.1	Very high	41 Å²	41	47 Å²	47	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-59.6	-38.9	175.5	-64.2	0	0	0	0	112.2	G101 D102 I103 T108 Q109	G101-S105 VanDerWaalsContact O-CB 3.28Å; G101-S105 WeakPolarHBondContact O-CB 3.48Å; G101-S105 PolarHBondContact O-N 2.92Å; G101-S105 VanDerWaalsContact O-N 3.12Å; G101-S105 PolarHBondContact O-OG 3.25Å; D102-S105 WeakPolarHBondContact O-CB 3.42Å; D102-S105 PolarHBondContact O-N 2.95Å; D102-S105 VanDerWaalsContact O-N 3.15Å; I103-S105 VanDerWaalsContact C-N 3.33Å; I103-S105 PolarHBondContact O-N 3.21Å; S105-T108 WeakPolarHBondContact CA-OG1 3.22Å; S105-T108 PolarHBondContact O-OG1 3.13Å; S105-Q109 VanDerWaalsContact O-CG 3.28Å; S105-Q109 WeakPolarHBondContact O-CG 3.4Å; S105-Q109 PolarHBondContact O-N 3.39Å; S105-Q109 VanDerWaalsContact O-N 3.11Å
106	R	98.8	Very high	98.2	Very high	48 Å²	48	45.3 Å²	45.3	18%	0.181	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-39.6	175.5	-69.6	168.6	66.4	174.3	9	112.4	E55 F58 D102 I103 I104 Q109 L110	E55-R106 VanDerWaalsContact CD-NH1 3.29Å; E55-R106 IonicContact OE1-CZ 3.65Å; E55-R106 IonicContact OE1-NH1 3.53Å; E55-R106 PolarHBondContact OE1-NH1 2.93Å; E55-R106 IonicContact OE1-NH2 2.76Å; E55-R106 IonicContact OE2-CZ 2.87Å; E55-R106 IonicContact OE2-NH1 3.67Å; E55-R106 PolarHBondContact OE2-NH1 2.74Å; E55-R106 VanDerWaalsContact OE2-NH1 3.1Å; E55-R106 IonicContact OE2-NH2 3.92Å; E55-R106 PolarHBondContact OE2-NH2 3.16Å; F58-R106 HydrophobicContact CD2-CB 4.33Å; F58-R106 HydrophobicContact CE2-CB 3.52Å; F58-R106 HydrophobicContact CZ-CB 3.83Å; D102-R106 WeakPolarHBondContact O-CG 3.19Å; D102-R106 PolarHBondContact O-N 3Å; D102-R106 WeakPolarHBondContact OD2-CD 3.46Å; D102-R106 IonicContact OD2-NH1 3.61Å; D102-R106 PolarHBondContact OD2-NH1 3.38Å; I103-R106 PolarHBondContact O-N 3.34Å; I104-R106 VanDerWaalsContact C-N 3.29Å; I104-R106 PolarHBondContact O-N 3.45Å; R106-Q109 PolarHBondContact O-N 3.2Å; R106-L110 WeakPolarHBondContact O-CB 3.44Å; R106-L110 PolarHBondContact O-N 2.93Å
107	Y	98.9	Very high	98.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.3	-36.3	175.5	-79.8	-75.6	0	0	0	113.2	F58 C61 L65 L78 F82 I103 I104 L110 A111 L118 L120	F58-Y107 HydrophobicContact CD2-CD2 4.37Å; F58-Y107 AromaticContact CD2-CE2 3.73Å; F58-Y107 HydrophobicContact CD2-CE2 3.73Å; F58-Y107 AromaticContact CD2-CZ 3.87Å; F58-Y107 HydrophobicContact CE2-CD2 4.37Å; F58-Y107 HydrophobicContact CE2-CE2 4.12Å; C61-Y107 HydrophobicContact CB-CE1 4.26Å; C61-Y107 WeakPolarHBondContact CB-OH 3.38Å; L65-Y107 HydrophobicContact CD2-CD1 4.11Å; L65-Y107 HydrophobicContact CD2-CE1 4.13Å; L78-Y107 HydrophobicContact CD1-CD1 4.43Å; L78-Y107 HydrophobicContact CD1-CE1 3.61Å; F82-Y107 AromaticContact CD2-CE2 3.87Å; F82-Y107 HydrophobicContact CD2-CE2 3.87Å; F82-Y107 AromaticContact CD2-CZ 3.79Å; F82-Y107 AromaticContact CE2-CD2 3.85Å; F82-Y107 HydrophobicContact CE2-CD2 3.85Å; F82-Y107 AromaticContact CE2-CE2 3.34Å; F82-Y107 HydrophobicContact CE2-CE2 3.34Å; F82-Y107 AromaticContact CE2-CZ 3.74Å; F82-Y107 HydrophobicContact CZ-CE2 4.45Å; I103-Y107 HydrophobicContact CD1-CD2 4.48Å; I103-Y107 HydrophobicContact CD1-CE2 3.95Å; I103-Y107 HydrophobicContact CG1-CD2 4.25Å; I103-Y107 HydrophobicContact CG1-CE2 3.98Å; I103-Y107 VanDerWaalsContact O-CD2 3.22Å; I103-Y107 WeakPolarHBondContact O-CD2 3.28Å; I103-Y107 PolarHBondContact O-N 3.01Å; I103-Y107 VanDerWaalsContact O-N 3.13Å; I104-Y107 PolarHBondContact O-N 3.06Å; Y107-L110 PolarHBondContact O-N 3.5Å; Y107-A111 WeakPolarHBondContact O-CB 3.38Å; Y107-A111 PolarHBondContact O-N 2.91Å; Y107-L118 HydrophobicContact CD1-CD1 4Å; Y107-L118 WeakPolarHBondContact O-CD1 3.42Å; Y107-L120 HydrophobicContact CD1-CD2 3.9Å; Y107-L120 HydrophobicContact CD2-CD1 4.31Å; Y107-L120 HydrophobicContact CE1-CD2 4.27Å; Y107-L120 HydrophobicContact CG-CD1 4.05Å; Y107-L120 HydrophobicContact CG-CD2 4.05Å
108	T	98.8	Very high	98.3	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.117	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-41.5	173.4	57.7	0	0	0	0	111.8	I104 S105 A111 R112 I143 G147 I149	I104-T108 HydrophobicContact CG2-CG2 4.27Å; I104-T108 WeakPolarHBondContact O-CG2 3.37Å; I104-T108 PolarHBondContact O-N 3.45Å; I104-T108 PolarHBondContact O-OG1 3.25Å; S105-T108 WeakPolarHBondContact CA-OG1 3.22Å; S105-T108 PolarHBondContact O-OG1 3.13Å; T108-A111 PolarHBondContact O-N 2.93Å; T108-R112 WeakPolarHBondContact O-CG 3.17Å; T108-R112 PolarHBondContact O-N 3.22Å; T108-R112 VanDerWaalsContact O-N 3.16Å; T108-I143 HydrophobicContact CG2-CD1 3.79Å; T108-I143 HydrophobicContact CG2-CG1 4.36Å; T108-I143 HydrophobicContact CG2-CG2 4.09Å; T108-G147 WeakPolarHBondContact CB-O 2.98Å; T108-G147 VanDerWaalsContact CG2-O 3.3Å; T108-G147 WeakPolarHBondContact CG2-O 3.41Å; T108-G147 WeakPolarHBondContact O-CA 3.4Å; T108-I149 HydrophobicContact CG2-CG1 4.43Å
109	Q	98.8	Very high	98.3	Very high	121 Å²	121	42.6 Å²	42.6	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-64.3	-40.2	173.4	-70.2	171.5	36.2	0	0	112.1	S105 R106 R112 K113	S105-Q109 VanDerWaalsContact O-CG 3.28Å; S105-Q109 WeakPolarHBondContact O-CG 3.4Å; S105-Q109 PolarHBondContact O-N 3.39Å; S105-Q109 VanDerWaalsContact O-N 3.11Å; R106-Q109 PolarHBondContact O-N 3.2Å; Q109-R112 WeakPolarHBondContact O-CB 3.48Å; Q109-R112 PolarHBondContact O-N 3.38Å; Q109-K113 WeakPolarHBondContact O-CB 3.19Å; Q109-K113 PolarHBondContact O-N 3.4Å
110	L	98.7	Very high	98.5	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-40.9	178.8	-170.2	60.1	0	0	0	111.8	K62 L65 R106 Y107 R112 K113 L114	K62-L110 HydrophobicContact CB-CD2 3.99Å; K62-L110 HydrophobicContact CG-CD1 4.18Å; K62-L110 HydrophobicContact CG-CD2 3.88Å; L65-L110 HydrophobicContact CB-CD2 4.33Å; L65-L110 HydrophobicContact CD2-CD2 3.51Å; L65-L110 HydrophobicContact CD2-CG 4.15Å; R106-L110 WeakPolarHBondContact O-CB 3.44Å; R106-L110 PolarHBondContact O-N 2.93Å; Y107-L110 PolarHBondContact O-N 3.5Å; L110-R112 VanDerWaalsContact C-N 3.33Å; L110-R112 PolarHBondContact O-N 3.47Å; L110-K113 PolarHBondContact O-N 3.45Å; L110-L114 HydrophobicContact CD1-CD1 3.7Å; L110-L114 HydrophobicContact CD1-CG 3.89Å; L110-L114 HydrophobicContact CG-CD1 3.81Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CG 3.34Å; L110-L114 PolarHBondContact O-N 3.29Å
111	A	98.8	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-45.5	173.4	0	0	0	0	0	111.8	Y107 T108 D115 V116 L118 I143	Y107-A111 WeakPolarHBondContact O-CB 3.38Å; Y107-A111 PolarHBondContact O-N 2.91Å; T108-A111 PolarHBondContact O-N 2.93Å; A111-D115 WeakPolarHBondContact O-CA 3.47Å; A111-D115 PolarHBondContact O-N 2.89Å; A111-V116 WeakPolarHBondContact CB-O 3.1Å; A111-V116 PolarHBondContact O-N 3.22Å; A111-V116 VanDerWaalsContact O-N 3.13Å; A111-L118 HydrophobicContact CB-CD1 3.81Å; A111-L118 HydrophobicContact CB-CG 4.01Å; A111-I143 HydrophobicContact CB-CG2 3.84Å
112	R	98.8	Very high	98.6	Very high	135 Å²	135	36.7 Å²	36.7	51%	0.509	17%	0.173	S	C	.	.	H	α-helix	trans	-59.8	-50.4	173.6	-71.7	172.2	-177	166.3	4.9	112.2	T108 Q109 L110 L114 D115 N145 K146	T108-R112 WeakPolarHBondContact O-CG 3.17Å; T108-R112 PolarHBondContact O-N 3.22Å; T108-R112 VanDerWaalsContact O-N 3.16Å; Q109-R112 WeakPolarHBondContact O-CB 3.48Å; Q109-R112 PolarHBondContact O-N 3.38Å; L110-R112 VanDerWaalsContact C-N 3.33Å; L110-R112 PolarHBondContact O-N 3.47Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 2.88Å; R112-D115 PolarHBondContact O-N 3.13Å; R112-N145 WeakPolarHBondContact CA-O 3.37Å; R112-K146 VanDerWaalsContact CG-O 3.29Å; R112-K146 WeakPolarHBondContact CG-O 3.36Å; R112-K146 PolarHBondContact NE-O 3.14Å; R112-K146 PolarHBondContact NH2-O 2.7Å
113	K	98.7	Very high	98.6	Very high	158 Å²	158	32.4 Å²	32.4	69%	0.687	15%	0.15	S	C	*	.	H	α-helix	trans	-63.9	-40.5	-175.1	-177.3	-176.7	176.6	-170.3	0	112.1	Q109 L110	Q109-K113 WeakPolarHBondContact O-CB 3.19Å; Q109-K113 PolarHBondContact O-N 3.4Å; L110-K113 PolarHBondContact O-N 3.45Å
114	L	98.6	Very high	98.7	Very high	26 Å²	26	33.7 Å²	33.7	14%	0.136	16%	0.155	C	C	.	.	H	α-helix	trans	-88.6	-7.3	-177.8	-61.6	-179	0	0	0	113	L65 E66 R69 L110 R112 V116	L65-L114 HydrophobicContact CB-CD1 3.9Å; E66-L114 HydrophobicContact CG-CD1 4.04Å; E66-L114 HydrophobicContact CG-CD2 3.95Å; R69-L114 WeakPolarHBondContact CD-O 3.32Å; R69-L114 HydrophobicContact CG-CB 4.34Å; R69-L114 WeakPolarHBondContact CG-O 3.26Å; R69-L114 PolarHBondContact NE-O 2.97Å; L110-L114 HydrophobicContact CD1-CD1 3.7Å; L110-L114 HydrophobicContact CD1-CG 3.89Å; L110-L114 HydrophobicContact CG-CD1 3.81Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CG 3.34Å; L110-L114 PolarHBondContact O-N 3.29Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 2.88Å; L114-V116 HydrophobicContact CB-CB 4.39Å; L114-V116 HydrophobicContact CB-CG1 3.83Å
115	D	98.5	Very high	98.7	Very high	85 Å²	85	34 Å²	34	46%	0.455	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	55.7	-174.1	-174.4	40.2	0	0	0	111.3	A111 R112 N145	A111-D115 WeakPolarHBondContact O-CA 3.47Å; A111-D115 PolarHBondContact O-N 2.89Å; R112-D115 PolarHBondContact O-N 3.13Å; D115-N145 WeakPolarHBondContact OD1-CB 3.47Å; D115-N145 PolarHBondContact OD1-ND2 2.81Å
116	V	98.7	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.158	C	C	.	.			trans	-140.4	147	-173.9	76.1	0	0	0	0	111.4	C74 V76 A111 L114 L118 N145	C74-V116 WeakPolarHBondContact O-CG2 3.47Å; V76-V116 HydrophobicContact CG2-CG2 3.82Å; A111-V116 WeakPolarHBondContact CB-O 3.1Å; A111-V116 PolarHBondContact O-N 3.22Å; A111-V116 VanDerWaalsContact O-N 3.13Å; L114-V116 HydrophobicContact CB-CB 4.39Å; L114-V116 HydrophobicContact CB-CG1 3.83Å; V116-L118 HydrophobicContact CG1-CD2 3.83Å; V116-L118 HydrophobicContact CG1-CG 4.5Å; V116-N145 WeakPolarHBondContact O-CA 3.3Å
117	W	98.9	Very high	98.5	Very high	32 Å²	32	34 Å²	34	12%	0.121	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	145.3	171.6	-75.4	56.7	0	0	0	110.9	C74 M75 V76 I142 I143 N144 N145 L150 Q187 T188 P189	C74-W117 PolarHBondContact O-N 3.02Å; M75-W117 CarbonylContact C-O 3.43Å; M75-W117 VanDerWaalsContact CA-O 3.28Å; M75-W117 WeakPolarHBondContact CA-O 3.21Å; M75-W117 HydrophobicContact CB-CB 3.96Å; M75-W117 HydrophobicContact CG-CB 3.75Å; M75-W117 HydrophobicContact SD-CB 4.3Å; V76-W117 PolarHBondContact N-O 3.4Å; W117-I142 HydrophobicContact CE3-CG2 4.19Å; W117-I142 HydrophobicContact CZ3-CG2 4.27Å; W117-I143 CarbonylContact C-O 3.6Å; W117-I143 WeakPolarHBondContact CA-O 3.35Å; W117-N144 HydrophobicContact CD2-CB 3.97Å; W117-N144 HydrophobicContact CE3-CB 4.23Å; W117-N144 HydrophobicContact CH2-CB 3.95Å; W117-N144 HydrophobicContact CZ2-CB 3.62Å; W117-N144 HydrophobicContact CZ3-CB 4.23Å; W117-N145 PolarHBondContact NE1-OD1 2.84Å; W117-L150 HydrophobicContact CE3-CD1 4.35Å; W117-L150 HydrophobicContact CH2-CD1 3.25Å; W117-L150 HydrophobicContact CZ2-CD1 4.23Å; W117-L150 HydrophobicContact CZ3-CD1 3.32Å; W117-Q187 WeakPolarHBondContact CH2-O 3.22Å; W117-T188 HydrophobicContact CE3-CG2 3.85Å; W117-T188 HydrophobicContact CZ3-CG2 3.64Å; W117-P189 HydrophobicContact CD2-CG 4.12Å; W117-P189 VanDerWaalsContact CE2-CD 3.48Å; W117-P189 HydrophobicContact CG-CG 4.13Å; W117-P189 HydrophobicContact CZ2-CG 4.29Å
118	L	98.9	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.3	180	-54.9	-179.7	0	0	0	111.2	L65 V76 Y107 A111 V116 L120 I142 I143	L65-L118 HydrophobicContact CD2-CD1 3.9Å; L65-L118 HydrophobicContact CD2-CD2 3.49Å; L65-L118 VanDerWaalsContact CD2-CD2 3.49Å; L65-L118 HydrophobicContact CD2-CG 4.38Å; L65-L118 HydrophobicContact CG-CD2 3.83Å; V76-L118 HydrophobicContact CB-CD2 4.06Å; V76-L118 WeakPolarHBondContact O-CA 3.2Å; Y107-L118 HydrophobicContact CD1-CD1 4Å; Y107-L118 WeakPolarHBondContact O-CD1 3.42Å; A111-L118 HydrophobicContact CB-CD1 3.81Å; A111-L118 HydrophobicContact CB-CG 4.01Å; V116-L118 HydrophobicContact CG1-CD2 3.83Å; V116-L118 HydrophobicContact CG1-CG 4.5Å; L118-L120 HydrophobicContact CB-CD2 4.18Å; L118-L120 HydrophobicContact CB-CG 4.49Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-I142 WeakPolarHBondContact O-CA 3.28Å; L118-I143 HydrophobicContact CB-CB 4.3Å; L118-I143 PolarHBondContact N-O 2.94Å; L118-I143 PolarHBondContact O-N 3.48Å
119	S	98.9	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.6	162	153.9	0	0	0	0	107.6	V76 F77 L78 H140	V76-S119 PolarHBondContact O-N 2.81Å; F77-S119 VanDerWaalsContact CD1-OG 3.23Å; F77-S119 WeakPolarHBondContact CD1-OG 3.45Å; L78-S119 PolarHBondContact N-O 3.42Å; S119-H140 PolarHBondContact OG-CE1 2.85Å; S119-H140 PolarHBondContact OG-NE2 3.32Å
120	L	98.9	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	96.8	178.7	-58.5	-172.6	0	0	0	108.1	L78 F82 I104 Y107 L118 G122 H140 V141 I143	L78-L120 HydrophobicContact CD1-CD2 3.82Å; F82-L120 HydrophobicContact CD1-CB 4.35Å; F82-L120 HydrophobicContact CE1-CB 3.62Å; F82-L120 HydrophobicContact CE2-CD1 4.43Å; F82-L120 HydrophobicContact CE2-CD2 4.23Å; F82-L120 HydrophobicContact CZ-CB 3.76Å; F82-L120 HydrophobicContact CZ-CD1 3.95Å; F82-L120 HydrophobicContact CZ-CD2 4.22Å; F82-L120 HydrophobicContact CZ-CG 4.2Å; I104-L120 HydrophobicContact CD1-CD1 3.69Å; Y107-L120 HydrophobicContact CD1-CD2 3.9Å; Y107-L120 HydrophobicContact CD2-CD1 4.31Å; Y107-L120 HydrophobicContact CE1-CD2 4.27Å; Y107-L120 HydrophobicContact CG-CD1 4.05Å; Y107-L120 HydrophobicContact CG-CD2 4.05Å; L118-L120 HydrophobicContact CB-CD2 4.18Å; L118-L120 HydrophobicContact CB-CG 4.49Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 2.93Å; L120-G122 VanDerWaalsContact O-N 3.08Å; L120-H140 CarbonylContact O-C 3.51Å; L120-H140 VanDerWaalsContact O-CA 3.26Å; L120-H140 WeakPolarHBondContact O-CA 3.2Å; L120-H140 PolarHBondContact O-CD2 3.43Å; L120-V141 HydrophobicContact CB-CB 4.19Å; L120-V141 PolarHBondContact N-O 2.95Å; L120-V141 PolarHBondContact O-N 3.17Å; L120-I143 HydrophobicContact CD1-CD1 3.54Å; L120-I143 HydrophobicContact CG-CD1 4.23Å
121	G	98	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	6.1	-154.5	0	0	0	0	0	118.9	L78 P221	L78-G121 VanDerWaalsContact O-CA 3.28Å; L78-G121 WeakPolarHBondContact O-CA 3.36Å; L78-G121 PolarHBondContact O-N 3.12Å; L78-G121 VanDerWaalsContact O-N 3.09Å; G121-P221 VanDerWaalsContact O-CB 3.32Å; G121-P221 WeakPolarHBondContact O-CB 3.26Å; G121-P221 WeakPolarHBondContact O-CG 3.25Å
122	G	97.6	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.9	74.8	179.6	0	0	0	0	0	111.1	G81 L120 N138 S139	G81-G122 WeakPolarHBondContact CA-O 3.4Å; G81-G122 PolarHBondContact N-O 3.4Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 2.93Å; L120-G122 VanDerWaalsContact O-N 3.08Å; G122-N138 WeakPolarHBondContact CA-OD1 3.31Å; G122-S139 CarbonylContact C-O 3.54Å; G122-S139 WeakPolarHBondContact CA-O 3.42Å
123	F	98.6	Very high	96.9	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.9	174.4	167.5	-121.4	0	0	0	110.2	F82 D83 E97 I103 I104 E125 S139	F82-F123 HydrophobicContact CE1-CB 3.84Å; F82-F123 HydrophobicContact CZ-CB 4.07Å; D83-F123 HydrophobicContact CB-CD2 4.35Å; D83-F123 VanDerWaalsContact OD2-CD2 3.27Å; D83-F123 WeakPolarHBondContact OD2-CD2 3.37Å; E97-F123 HydrophobicContact CB-CE2 4.12Å; E97-F123 HydrophobicContact CB-CZ 3.69Å; E97-F123 VanDerWaalsContact O-CZ 3.3Å; E97-F123 WeakPolarHBondContact O-CZ 3.35Å; I103-F123 HydrophobicContact CG2-CD2 3.91Å; I103-F123 HydrophobicContact CG2-CE2 3.27Å; I103-F123 HydrophobicContact CG2-CZ 3.94Å; I104-F123 HydrophobicContact CD1-CB 4.36Å; I104-F123 HydrophobicContact CD1-CD1 3.96Å; I104-F123 HydrophobicContact CD1-CD2 4.29Å; I104-F123 HydrophobicContact CD1-CE1 4.32Å; I104-F123 HydrophobicContact CD1-CG 3.94Å; I104-F123 HydrophobicContact CG1-CD1 3.98Å; I104-F123 HydrophobicContact CG1-CD2 4.43Å; I104-F123 HydrophobicContact CG1-CE1 3.81Å; I104-F123 HydrophobicContact CG1-CE2 4.32Å; I104-F123 HydrophobicContact CG1-CG 4.28Å; I104-F123 HydrophobicContact CG1-CZ 3.98Å; F123-E125 VanDerWaalsContact C-N 3.3Å; F123-E125 HydrophobicContact CD1-CB 3.79Å; F123-E125 HydrophobicContact CD1-CG 4.48Å; F123-E125 HydrophobicContact CE1-CB 3.82Å; F123-E125 HydrophobicContact CE1-CG 4.21Å; F123-E125 PolarHBondContact O-N 2.58Å; F123-S139 PolarHBondContact N-O 2.79Å; F123-S139 PolarHBondContact O-N 3.09Å
124	H	98.6	Very high	96.7	Very high	30 Å²	30	45.5 Å²	45.5	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	81.1	174.4	-62.7	85.2	0	0	0	110.2	D83 Y84 S96 E97 I136	D83-H124 VanDerWaalsContact CG-ND1 3.34Å; D83-H124 IonicContact OD1-CE1 2.7Å; D83-H124 PolarHBondContact OD1-CE1 2.84Å; D83-H124 IonicContact OD1-ND1 3.41Å; D83-H124 PolarHBondContact OD1-ND1 3.37Å; D83-H124 WeakPolarHBondContact OD2-CB 3.19Å; D83-H124 IonicContact OD2-CG 2.93Å; D83-H124 PolarHBondContact OD2-N 2.94Å; D83-H124 IonicContact OD2-ND1 3.49Å; D83-H124 PolarHBondContact OD2-ND1 3.29Å; D83-H124 VanDerWaalsContact OD2-ND1 3.07Å; Y84-H124 HydrophobicContact CE1-CB 4.05Å; Y84-H124 AromaticContact CE1-ND1 3.93Å; Y84-H124 AromaticContact CE2-ND1 3.91Å; Y84-H124 AromaticContact CZ-CG 3.6Å; Y84-H124 AromaticContact CZ-ND1 3.69Å; Y84-H124 PolarHBondContact O-CE1 2.73Å; Y84-H124 WeakPolarHBondContact OH-CB 3.02Å; S96-H124 WeakPolarHBondContact CB-O 3.49Å; E97-H124 PolarHBondContact N-O 3.48Å; H124-I136 HydrophobicContact CB-CD1 4.31Å
125	E	98.5	Very high	96.5	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131	-178.4	-175.8	-169.1	-174.8	0	0	110.5	E97 L99 F123 G127 I136 Y137 S139 R154	E97-E125 CarbonylContact O-C 3.58Å; E97-E125 WeakPolarHBondContact O-CA 3.32Å; L99-E125 HydrophobicContact CB-CG 4.47Å; F123-E125 VanDerWaalsContact C-N 3.3Å; F123-E125 HydrophobicContact CD1-CB 3.79Å; F123-E125 HydrophobicContact CD1-CG 4.48Å; F123-E125 HydrophobicContact CE1-CB 3.82Å; F123-E125 HydrophobicContact CE1-CG 4.21Å; F123-E125 PolarHBondContact O-N 2.58Å; E125-G127 PolarHBondContact O-N 3.43Å; E125-I136 CarbonylContact O-C 3.47Å; E125-I136 WeakPolarHBondContact O-CA 3.23Å; E125-I136 VanDerWaalsContact O-CB 3.27Å; E125-I136 WeakPolarHBondContact O-CB 3.15Å; E125-Y137 PolarHBondContact N-O 3.05Å; E125-Y137 PolarHBondContact O-N 3.44Å; E125-S139 WeakPolarHBondContact CB-OG 3.36Å; E125-S139 WeakPolarHBondContact OE2-CB 3.38Å; E125-S139 PolarHBondContact OE2-OG 3.05Å; E125-R154 IonicContact OE1-CZ 3.67Å; E125-R154 IonicContact OE1-NE 3.73Å; E125-R154 IonicContact OE1-NH2 3.13Å; E125-R154 PolarHBondContact OE1-NH2 3.06Å; E125-R154 IonicContact OE2-CZ 3.64Å; E125-R154 IonicContact OE2-NE 3.8Å; E125-R154 PolarHBondContact OE2-NE 3.31Å; E125-R154 IonicContact OE2-NH2 2.73Å; E125-R154 PolarHBondContact OE2-NH2 3.16Å
126	R	98.3	Very high	96.5	Very high	81 Å²	81	44 Å²	44	31%	0.306	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	137.6	171.5	-72.6	-179.4	-175.4	-174.9	4	111.8	S96 E97 W130	S96-R126 VanDerWaalsContact O-CZ 3.3Å; S96-R126 PolarHBondContact O-NE 2.86Å; S96-R126 PolarHBondContact O-NH2 2.91Å; S96-R126 WeakPolarHBondContact OG-CG 3.22Å; E97-R126 PolarHBondContact O-N 3.02Å; R126-W130 HydrophobicContact CB-CB 4.19Å; R126-W130 HydrophobicContact CB-CD2 4.07Å; R126-W130 HydrophobicContact CB-CE3 4.08Å; R126-W130 HydrophobicContact CB-CG 4.11Å; R126-W130 HydrophobicContact CG-CD2 3.69Å; R126-W130 HydrophobicContact CG-CE3 3.78Å; R126-W130 HydrophobicContact CG-CG 4.08Å; R126-W130 HydrophobicContact CG-CZ2 4.49Å; R126-W130 HydrophobicContact CG-CZ3 4.23Å
127	G	96.4	Very high	96.5	Very high	7 Å²	7	44.7 Å²	44.7	7%	0.072	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-60.9	160.5	172.3	0	0	0	0	0	112.1	E125 D129 W130 R135	E125-G127 PolarHBondContact O-N 3.43Å; G127-D129 PolarHBondContact O-N 3.41Å; G127-W130 WeakPolarHBondContact O-CB 3.39Å; G127-W130 PolarHBondContact O-N 2.89Å; G127-R135 WeakPolarHBondContact CA-O 3.24Å; G127-R135 PolarHBondContact N-O 3.21Å
128	H	92.4	Very high	96.5	Very high	155 Å²	155	43.7 Å²	43.7	72%	0.718	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.3	179.5	61.4	-86.6	0	0	0	112.7	Y137	H128-Y137 PolarHBondContact ND1-OH 3.47Å; H128-Y137 VanDerWaalsContact ND1-OH 3.1Å
129	D	92.4	Very high	96.5	Very high	66 Å²	66	43.7 Å²	43.7	35%	0.353	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	32.9	179.4	-159.6	26.8	0	0	0	112.4	G127 E131 N132 D133	G127-D129 PolarHBondContact O-N 3.41Å; D129-E131 PolarHBondContact O-N 2.8Å; D129-E131 VanDerWaalsContact O-N 3.14Å; D129-N132 PolarHBondContact O-N 3.09Å; D129-N132 PolarHBondContact OD1-ND2 2.84Å; D129-D133 PolarHBondContact O-N 3.15Å
130	W	93.8	Very high	96.5	Very high	28 Å²	28	43.7 Å²	43.7	11%	0.106	20%	0.202	C	C	.	.	H	α-helix	trans	-49.6	-41.5	-173.3	170.9	-101.4	0	0	0	114.3	L93 S96 R126 G127 N132 R134 I136	L93-W130 HydrophobicContact CB-CH2 4.02Å; L93-W130 HydrophobicContact CD2-CH2 4.37Å; L93-W130 HydrophobicContact CD2-CZ3 4.13Å; L93-W130 WeakPolarHBondContact O-CH2 3.39Å; S96-W130 VanDerWaalsContact OG-CH2 3.32Å; S96-W130 WeakPolarHBondContact OG-CH2 3.22Å; R126-W130 HydrophobicContact CB-CB 4.19Å; R126-W130 HydrophobicContact CB-CD2 4.07Å; R126-W130 HydrophobicContact CB-CE3 4.08Å; R126-W130 HydrophobicContact CB-CG 4.11Å; R126-W130 HydrophobicContact CG-CD2 3.69Å; R126-W130 HydrophobicContact CG-CE3 3.78Å; R126-W130 HydrophobicContact CG-CG 4.08Å; R126-W130 HydrophobicContact CG-CZ2 4.49Å; R126-W130 HydrophobicContact CG-CZ3 4.23Å; G127-W130 WeakPolarHBondContact O-CB 3.39Å; G127-W130 PolarHBondContact O-N 2.89Å; W130-N132 PolarHBondContact O-N 2.65Å; W130-R134 HydrophobicContact CH2-CB 4.41Å; W130-R134 HydrophobicContact CZ3-CB 4.28Å; W130-R134 WeakPolarHBondContact O-CA 3.3Å; W130-R134 PolarHBondContact O-N 2.94Å; W130-R134 VanDerWaalsContact O-N 3.08Å; W130-I136 HydrophobicContact CE3-CG2 4.42Å; W130-I136 HydrophobicContact CZ3-CG2 3.77Å
131	E	93.4	Very high	96.5	Very high	158 Å²	158	43.7 Å²	43.7	74%	0.738	20%	0.202	S	C	*	.	H	α-helix	trans	-64.8	-21.5	-178.4	-59.7	-57.3	148.8	0	0	112.7	D129	D129-E131 PolarHBondContact O-N 2.8Å; D129-E131 VanDerWaalsContact O-N 3.14Å
132	N	93.3	Very high	96.5	Very high	128 Å²	128	43.7 Å²	43.7	68%	0.684	20%	0.202	S	C	*	.	H	α-helix	trans	-106.2	-44.5	-178	-65.4	-49.6	0	0	0	113.1	D129 W130	D129-N132 PolarHBondContact O-N 3.09Å; D129-N132 PolarHBondContact OD1-ND2 2.84Å; W130-N132 PolarHBondContact O-N 2.65Å
133	D	92.8	Very high	96.6	Very high	54 Å²	54	43.7 Å²	43.7	29%	0.289	20%	0.202	S	C	.	.	H	α-helix	trans	-102.9	-16.9	-172.1	77.9	1.1	0	0	0	114.5	D129 R135	D129-D133 PolarHBondContact O-N 3.15Å; D133-R135 HydrophobicContact CB-CG 4.06Å; D133-R135 WeakPolarHBondContact O-CG 3.22Å; D133-R135 PolarHBondContact O-N 3.21Å; D133-R135 WeakPolarHBondContact OD1-CB 3.34Å; D133-R135 PolarHBondContact OD1-N 3.4Å; D133-R135 WeakPolarHBondContact OD2-CD 3.37Å
134	R	94.7	Very high	96.6	Very high	95 Å²	95	44.3 Å²	44.3	36%	0.358	21%	0.205	S	C	.	.			trans	47.6	41.5	-173.1	-59.2	-173.2	67.3	-154.6	-1.4	113	E90 L93 W130	E90-R134 IonicContact OE1-CZ 2.8Å; E90-R134 IonicContact OE1-NH1 3.19Å; E90-R134 PolarHBondContact OE1-NH1 2.95Å; E90-R134 IonicContact OE1-NH2 2.83Å; E90-R134 PolarHBondContact OE1-NH2 2.79Å; E90-R134 IonicContact OE2-CZ 3.32Å; E90-R134 IonicContact OE2-NH1 3Å; E90-R134 PolarHBondContact OE2-NH1 2.88Å; E90-R134 VanDerWaalsContact OE2-NH1 3.13Å; E90-R134 IonicContact OE2-NH2 2.7Å; L93-R134 WeakPolarHBondContact CD1-O 3.35Å; L93-R134 VanDerWaalsContact CD2-O 3.22Å; L93-R134 WeakPolarHBondContact CD2-O 3.46Å; W130-R134 HydrophobicContact CH2-CB 4.41Å; W130-R134 HydrophobicContact CZ3-CB 4.28Å; W130-R134 WeakPolarHBondContact O-CA 3.3Å; W130-R134 PolarHBondContact O-N 2.94Å; W130-R134 VanDerWaalsContact O-N 3.08Å
135	R	95.9	Very high	96.6	Very high	75 Å²	75	45.1 Å²	45.1	28%	0.283	21%	0.21	S	C	.	.			trans	-105.1	156.8	177	-60.2	179.1	68.4	-165	3.8	111.6	G127 D133 F175 T176 I177	G127-R135 WeakPolarHBondContact CA-O 3.24Å; G127-R135 PolarHBondContact N-O 3.21Å; D133-R135 HydrophobicContact CB-CG 4.06Å; D133-R135 WeakPolarHBondContact O-CG 3.22Å; D133-R135 PolarHBondContact O-N 3.21Å; D133-R135 WeakPolarHBondContact OD1-CB 3.34Å; D133-R135 PolarHBondContact OD1-N 3.4Å; D133-R135 WeakPolarHBondContact OD2-CD 3.37Å; R135-F175 VanDerWaalsContact CA-O 3.31Å; R135-F175 WeakPolarHBondContact CA-O 3.45Å; R135-F175 WeakPolarHBondContact CB-O 3.37Å; R135-T176 PolarHBondContact NH2-O 3.38Å; R135-I177 HydrophobicContact CB-CD1 3.84Å; R135-I177 HydrophobicContact CB-CG1 3.57Å
136	I	97.8	Very high	96.6	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	159.9	-176.3	56.8	166.8	0	0	0	111.5	T92 L93 H124 E125 W130 F175 T176 I177	T92-I136 HydrophobicContact CG2-CD1 4.06Å; L93-I136 HydrophobicContact CD2-CG1 4.26Å; L93-I136 HydrophobicContact CD2-CG2 3.83Å; H124-I136 HydrophobicContact CB-CD1 4.31Å; E125-I136 CarbonylContact O-C 3.47Å; E125-I136 WeakPolarHBondContact O-CA 3.23Å; E125-I136 VanDerWaalsContact O-CB 3.27Å; E125-I136 WeakPolarHBondContact O-CB 3.15Å; W130-I136 HydrophobicContact CE3-CG2 4.42Å; W130-I136 HydrophobicContact CZ3-CG2 3.77Å; I136-F175 HydrophobicContact CD1-CD2 4.06Å; I136-F175 HydrophobicContact CD1-CE2 4.19Å; I136-F175 HydrophobicContact CG1-CD2 4.17Å; I136-F175 PolarHBondContact N-O 2.76Å; I136-T176 CarbonylContact O-C 3.39Å; I136-T176 WeakPolarHBondContact O-CA 3.24Å; I136-T176 WeakPolarHBondContact O-CG2 3.25Å; I136-I177 PolarHBondContact O-N 3.35Å
137	Y	98.4	Very high	96.6	Very high	15 Å²	15	47.9 Å²	47.9	6%	0.059	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	156.2	159.5	-63.1	-75.6	0	0	0	110.1	E125 H128 S139 R154 I177	E125-Y137 PolarHBondContact N-O 3.05Å; E125-Y137 PolarHBondContact O-N 3.44Å; H128-Y137 PolarHBondContact ND1-OH 3.47Å; H128-Y137 VanDerWaalsContact ND1-OH 3.1Å; Y137-S139 WeakPolarHBondContact CB-OG 3.36Å; Y137-R154 HydrophobicContact CD1-CB 4.08Å; Y137-R154 HydrophobicContact CD1-CG 4.06Å; Y137-R154 HydrophobicContact CG-CB 4.44Å; Y137-R154 HydrophobicContact CG-CG 3.97Å; Y137-I177 HydrophobicContact CD1-CB 3.7Å; Y137-I177 HydrophobicContact CD1-CG2 4.14Å; Y137-I177 WeakPolarHBondContact CD1-O 3.28Å; Y137-I177 HydrophobicContact CE1-CB 3.44Å; Y137-I177 VanDerWaalsContact CE1-CB 3.44Å; Y137-I177 HydrophobicContact CE1-CD1 4.14Å; Y137-I177 HydrophobicContact CE1-CG1 4.36Å; Y137-I177 HydrophobicContact CE1-CG2 3.38Å; Y137-I177 HydrophobicContact CE2-CD1 4.13Å
138	N	98.4	Very high	96.7	Very high	12 Å²	12	51 Å²	51	6%	0.064	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	105.7	164.3	-177.8	-17.4	0	0	0	107.4	E80 G122 R154 K155 E172 T176 I197	E80-N138 PolarHBondContact OE1-ND2 2.96Å; G122-N138 WeakPolarHBondContact CA-OD1 3.31Å; N138-R154 WeakPolarHBondContact O-CA 3.45Å; N138-K155 HydrophobicContact CB-CB 3.93Å; N138-K155 HydrophobicContact CB-CD 4.21Å; N138-K155 WeakPolarHBondContact ND2-CD 3.23Å; N138-K155 PolarHBondContact O-N 3.09Å; N138-E172 PolarHBondContact ND2-OE1 3.27Å; N138-T176 HydrophobicContact CB-CG2 4.21Å; N138-I197 WeakPolarHBondContact O-CD1 3.41Å
139	S	98.8	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.8	-161.6	-63.9	0	0	0	0	112.5	G122 F123 E125 Y137 Y153 R154	G122-S139 CarbonylContact C-O 3.54Å; G122-S139 WeakPolarHBondContact CA-O 3.42Å; F123-S139 PolarHBondContact N-O 2.79Å; F123-S139 PolarHBondContact O-N 3.09Å; E125-S139 WeakPolarHBondContact CB-OG 3.36Å; E125-S139 WeakPolarHBondContact OE2-CB 3.38Å; E125-S139 PolarHBondContact OE2-OG 3.05Å; Y137-S139 WeakPolarHBondContact CB-OG 3.36Å; S139-Y153 CarbonylContact C-O 3.53Å; S139-Y153 WeakPolarHBondContact CA-O 3.3Å; S139-R154 WeakPolarHBondContact OG-CG 3.17Å
140	H	98.9	Very high	97.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.7	171.6	-173.6	168.1	0	0	0	109.8	S119 L120 V152 Y153 G196 I197 T219	S119-H140 PolarHBondContact OG-CE1 2.85Å; S119-H140 PolarHBondContact OG-NE2 3.32Å; L120-H140 CarbonylContact O-C 3.51Å; L120-H140 VanDerWaalsContact O-CA 3.26Å; L120-H140 WeakPolarHBondContact O-CA 3.2Å; L120-H140 PolarHBondContact O-CD2 3.43Å; H140-V152 WeakPolarHBondContact O-CA 3.33Å; H140-Y153 HydrophobicContact CB-CD1 4.27Å; H140-Y153 PolarHBondContact N-O 3.32Å; H140-Y153 PolarHBondContact O-N 2.71Å; H140-G196 PolarHBondContact ND1-O 2.68Å; H140-I197 HydrophobicContact CB-CD1 3.54Å; H140-I197 HydrophobicContact CB-CG1 3.71Å; H140-T219 PolarHBondContact CE1-OG1 2.94Å
141	V	98.9	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.4	-174.7	-172.2	0	0	0	0	110.7	L99 I104 L120 I143 I149 V152	L99-V141 HydrophobicContact CD1-CG2 3.83Å; I104-V141 HydrophobicContact CD1-CG2 4.41Å; L120-V141 HydrophobicContact CB-CB 4.19Å; L120-V141 PolarHBondContact N-O 2.95Å; L120-V141 PolarHBondContact O-N 3.17Å; V141-I143 HydrophobicContact CG1-CD1 4.49Å; V141-I143 HydrophobicContact CG1-CG1 4.02Å; V141-I149 HydrophobicContact CG1-CD1 4.44Å; V141-I149 HydrophobicContact CG1-CG1 4.13Å; V141-I149 HydrophobicContact CG1-CG2 3.74Å; V141-V152 HydrophobicContact CG1-CG2 4.29Å; V141-V152 HydrophobicContact CG2-CG1 4.37Å; V141-V152 HydrophobicContact CG2-CG2 4.35Å
142	I	98.9	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.8	170.1	-60.1	-56.9	0	0	0	109.8	M75 W117 L118 I149 L150 S151 V186 L195	M75-I142 HydrophobicContact CE-CD1 4.01Å; W117-I142 HydrophobicContact CE3-CG2 4.19Å; W117-I142 HydrophobicContact CZ3-CG2 4.27Å; L118-I142 WeakPolarHBondContact O-CA 3.28Å; I142-I149 WeakPolarHBondContact O-CA 3.32Å; I142-L150 HydrophobicContact CG2-CB 4.45Å; I142-L150 PolarHBondContact O-N 2.74Å; I142-S151 PolarHBondContact N-O 3.47Å; I142-V186 HydrophobicContact CG1-CG2 4.32Å; I142-V186 HydrophobicContact CG2-CG1 4.23Å; I142-L195 HydrophobicContact CD1-CD2 3.73Å; I142-L195 HydrophobicContact CG1-CD1 3.81Å; I142-L195 HydrophobicContact CG1-CD2 3.78Å; I142-L195 HydrophobicContact CG1-CG 4.43Å
143	I	98.9	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.7	177.8	-57.7	172.3	0	0	0	108.8	T108 A111 W117 L118 L120 V141 D148 I149	T108-I143 HydrophobicContact CG2-CD1 3.79Å; T108-I143 HydrophobicContact CG2-CG1 4.36Å; T108-I143 HydrophobicContact CG2-CG2 4.09Å; A111-I143 HydrophobicContact CB-CG2 3.84Å; W117-I143 CarbonylContact C-O 3.6Å; W117-I143 WeakPolarHBondContact CA-O 3.35Å; L118-I143 HydrophobicContact CB-CB 4.3Å; L118-I143 PolarHBondContact N-O 2.94Å; L118-I143 PolarHBondContact O-N 3.48Å; L120-I143 HydrophobicContact CD1-CD1 3.54Å; L120-I143 HydrophobicContact CG-CD1 4.23Å; V141-I143 HydrophobicContact CG1-CD1 4.49Å; V141-I143 HydrophobicContact CG1-CG1 4.02Å; I143-D148 WeakPolarHBondContact CA-O 3.05Å; I143-I149 HydrophobicContact CG1-CG1 4.2Å
144	N	98.9	Very high	98.3	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.07	17%	0.168	C	C	.	.			trans	-81.9	172.5	175.7	72.6	12.4	0	0	0	112.4	W117 K146 G147 D148 L150	W117-N144 HydrophobicContact CD2-CB 3.97Å; W117-N144 HydrophobicContact CE3-CB 4.23Å; W117-N144 HydrophobicContact CH2-CB 3.95Å; W117-N144 HydrophobicContact CZ2-CB 3.62Å; W117-N144 HydrophobicContact CZ3-CB 4.23Å; N144-K146 PolarHBondContact O-N 3.32Å; N144-K146 VanDerWaalsContact O-N 3.1Å; N144-K146 VanDerWaalsContact OD1-CA 3.25Å; N144-K146 WeakPolarHBondContact OD1-CA 3.28Å; N144-K146 WeakPolarHBondContact OD1-CB 3.34Å; N144-K146 PolarHBondContact OD1-N 2.91Å; N144-G147 PolarHBondContact O-N 3.3Å; N144-G147 PolarHBondContact OD1-N 3.38Å; N144-D148 PolarHBondContact N-O 3.48Å; N144-D148 PolarHBondContact ND2-OD2 3.27Å; N144-D148 PolarHBondContact OD1-N 3.44Å; N144-L150 HydrophobicContact CB-CD1 3.85Å; N144-L150 HydrophobicContact CB-CG 4.2Å
145	N	98.5	Very high	98.5	Very high	48 Å²	48	31.5 Å²	31.5	26%	0.257	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-8.7	174.9	66.9	-41.8	0	0	0	114.7	R112 D115 V116 W117	R112-N145 WeakPolarHBondContact CA-O 3.37Å; D115-N145 WeakPolarHBondContact OD1-CB 3.47Å; D115-N145 PolarHBondContact OD1-ND2 2.81Å; V116-N145 WeakPolarHBondContact O-CA 3.3Å; W117-N145 PolarHBondContact NE1-OD1 2.84Å
146	K	98.7	Very high	98.5	Very high	143 Å²	143	29.3 Å²	29.3	62%	0.622	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	5.5	170.1	-58.5	-179.5	-178.5	178.5	0	112.3	R112 N144 D148	R112-K146 VanDerWaalsContact CG-O 3.29Å; R112-K146 WeakPolarHBondContact CG-O 3.36Å; R112-K146 PolarHBondContact NE-O 3.14Å; R112-K146 PolarHBondContact NH2-O 2.7Å; N144-K146 PolarHBondContact O-N 3.32Å; N144-K146 VanDerWaalsContact O-N 3.1Å; N144-K146 VanDerWaalsContact OD1-CA 3.25Å; N144-K146 WeakPolarHBondContact OD1-CA 3.28Å; N144-K146 WeakPolarHBondContact OD1-CB 3.34Å; N144-K146 PolarHBondContact OD1-N 2.91Å; K146-D148 VanDerWaalsContact C-N 3.27Å; K146-D148 PolarHBondContact O-N 2.87Å
147	G	98.4	Very high	98.5	Very high	5 Å²	5	31.9 Å²	31.9	5%	0.052	16%	0.16	C	C	.	.	S	Bend	trans	71.3	16.9	-179.3	0	0	0	0	0	114.6	T108 N144	T108-G147 WeakPolarHBondContact CB-O 2.98Å; T108-G147 VanDerWaalsContact CG2-O 3.3Å; T108-G147 WeakPolarHBondContact CG2-O 3.41Å; T108-G147 WeakPolarHBondContact O-CA 3.4Å; N144-G147 PolarHBondContact O-N 3.3Å; N144-G147 PolarHBondContact OD1-N 3.38Å
148	D	98.7	Very high	98.3	Very high	72 Å²	72	32.2 Å²	32.2	39%	0.385	16%	0.163	S	C	.	.			trans	-86.3	136.2	174.7	-47.1	-47.4	0	0	0	109.8	I143 N144 K146 L150	I143-D148 WeakPolarHBondContact CA-O 3.05Å; N144-D148 PolarHBondContact N-O 3.48Å; N144-D148 PolarHBondContact ND2-OD2 3.27Å; N144-D148 PolarHBondContact OD1-N 3.44Å; K146-D148 VanDerWaalsContact C-N 3.27Å; K146-D148 PolarHBondContact O-N 2.87Å; D148-L150 HydrophobicContact CB-CD2 4.43Å; D148-L150 PolarHBondContact O-N 2.97Å
149	I	98.8	Very high	97.8	Very high	65 Å²	65	33 Å²	33	33%	0.333	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.8	170.2	-62.6	169.9	0	0	0	108.1	L99 I104 T108 V141 I142 I143 V152	L99-I149 HydrophobicContact CD1-CD1 4.38Å; L99-I149 HydrophobicContact CD2-CD1 4.24Å; L99-I149 HydrophobicContact CG-CD1 4.07Å; I104-I149 HydrophobicContact CG2-CD1 3.86Å; T108-I149 HydrophobicContact CG2-CG1 4.43Å; V141-I149 HydrophobicContact CG1-CD1 4.44Å; V141-I149 HydrophobicContact CG1-CG1 4.13Å; V141-I149 HydrophobicContact CG1-CG2 3.74Å; I142-I149 WeakPolarHBondContact O-CA 3.32Å; I143-I149 HydrophobicContact CG1-CG1 4.2Å; I149-V152 HydrophobicContact CG2-CG2 3.71Å
150	L	98.7	Very high	97.3	Very high	78 Å²	78	36.1 Å²	36.1	41%	0.408	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-26.9	-177.7	-64.4	-174.7	0	0	0	113.5	W117 I142 N144 D148 V186	W117-L150 HydrophobicContact CE3-CD1 4.35Å; W117-L150 HydrophobicContact CH2-CD1 3.25Å; W117-L150 HydrophobicContact CZ2-CD1 4.23Å; W117-L150 HydrophobicContact CZ3-CD1 3.32Å; I142-L150 HydrophobicContact CG2-CB 4.45Å; I142-L150 PolarHBondContact O-N 2.74Å; N144-L150 HydrophobicContact CB-CD1 3.85Å; N144-L150 HydrophobicContact CB-CG 4.2Å; D148-L150 HydrophobicContact CB-CD2 4.43Å; D148-L150 PolarHBondContact O-N 2.97Å; L150-V186 HydrophobicContact CB-CG1 4.17Å; L150-V186 HydrophobicContact CD1-CG1 4.23Å
151	S	98.5	Very high	96.4	Very high	18 Å²	18	37.3 Å²	37.3	13%	0.126	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	149.1	178.9	-169.8	0	0	0	0	110.7	I142 V186	I142-S151 PolarHBondContact N-O 3.47Å; S151-V186 VanDerWaalsContact CB-CG2 3.44Å
152	V	98.7	Very high	95.4	Very high	36 Å²	36	44.3 Å²	44.3	22%	0.218	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	109.6	172.7	-177.3	0	0	0	0	107.4	L99 H140 V141 I149 R154	L99-V152 HydrophobicContact CD1-CG2 4.13Å; L99-V152 HydrophobicContact CD2-CG2 3.77Å; H140-V152 WeakPolarHBondContact O-CA 3.33Å; V141-V152 HydrophobicContact CG1-CG2 4.29Å; V141-V152 HydrophobicContact CG2-CG1 4.37Å; V141-V152 HydrophobicContact CG2-CG2 4.35Å; I149-V152 HydrophobicContact CG2-CG2 3.71Å; V152-R154 HydrophobicContact CG1-CG 4.46Å
153	Y	98.8	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.9	169.7	171.9	-109.7	0	0	0	109.3	S139 H140 S156 L182 V183 L195 I197 D200	S139-Y153 CarbonylContact C-O 3.53Å; S139-Y153 WeakPolarHBondContact CA-O 3.3Å; H140-Y153 HydrophobicContact CB-CD1 4.27Å; H140-Y153 PolarHBondContact N-O 3.32Å; H140-Y153 PolarHBondContact O-N 2.71Å; Y153-S156 WeakPolarHBondContact OH-CB 3.36Å; Y153-S156 PolarHBondContact OH-N 2.85Å; Y153-S156 PolarHBondContact OH-OG 2.92Å; Y153-L182 HydrophobicContact CE2-CD2 4.13Å; Y153-V183 HydrophobicContact CD2-CG2 4.22Å; Y153-V183 HydrophobicContact CG-CG2 4.38Å; Y153-L195 HydrophobicContact CD1-CB 4.24Å; Y153-L195 HydrophobicContact CG-CB 4.02Å; Y153-I197 HydrophobicContact CD1-CD1 4.14Å; Y153-I197 HydrophobicContact CD1-CG1 3.93Å; Y153-I197 HydrophobicContact CE1-CD1 4.36Å; Y153-I197 HydrophobicContact CE1-CG1 3.97Å; Y153-D200 VanDerWaalsContact CE1-OD2 3.28Å; Y153-D200 WeakPolarHBondContact CE1-OD2 3.35Å; Y153-D200 PolarHBondContact OH-OD1 2.93Å; Y153-D200 PolarHBondContact OH-OD2 3.48Å
154	R	98.6	Very high	93	Very high	76 Å²	76	52.5 Å²	52.5	29%	0.287	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.7	174.6	-69.3	167.4	175.5	155.9	1	108.2	E125 Y137 N138 S139 V152 S156 G179	E125-R154 IonicContact OE1-CZ 3.67Å; E125-R154 IonicContact OE1-NE 3.73Å; E125-R154 IonicContact OE1-NH2 3.13Å; E125-R154 PolarHBondContact OE1-NH2 3.06Å; E125-R154 IonicContact OE2-CZ 3.64Å; E125-R154 IonicContact OE2-NE 3.8Å; E125-R154 PolarHBondContact OE2-NE 3.31Å; E125-R154 IonicContact OE2-NH2 2.73Å; E125-R154 PolarHBondContact OE2-NH2 3.16Å; Y137-R154 HydrophobicContact CD1-CB 4.08Å; Y137-R154 HydrophobicContact CD1-CG 4.06Å; Y137-R154 HydrophobicContact CG-CB 4.44Å; Y137-R154 HydrophobicContact CG-CG 3.97Å; N138-R154 WeakPolarHBondContact O-CA 3.45Å; S139-R154 WeakPolarHBondContact OG-CG 3.17Å; V152-R154 HydrophobicContact CG1-CG 4.46Å; R154-S156 PolarHBondContact O-N 2.92Å; R154-S156 VanDerWaalsContact O-N 3.16Å; R154-G179 WeakPolarHBondContact O-CA 3.45Å
155	K	98.3	Very high	92.1	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.009	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-50.6	118.3	-176	-166.1	171.6	-178.4	-173.2	0	111.4	E80 N138 H157 L158 E172 G179 I197	E80-K155 IonicContact OE1-NZ 2.78Å; E80-K155 PolarHBondContact OE1-NZ 2.93Å; N138-K155 HydrophobicContact CB-CB 3.93Å; N138-K155 HydrophobicContact CB-CD 4.21Å; N138-K155 WeakPolarHBondContact ND2-CD 3.23Å; N138-K155 PolarHBondContact O-N 3.09Å; K155-H157 WeakPolarHBondContact CE-O 3.38Å; K155-L158 HydrophobicContact CB-CD2 4.44Å; K155-L158 HydrophobicContact CG-CD2 4.46Å; K155-E172 IonicContact NZ-OE1 3.1Å; K155-E172 PolarHBondContact NZ-OE1 3.49Å; K155-E172 IonicContact NZ-OE2 3.86Å; K155-E172 PolarHBondContact NZ-OE2 2.81Å; K155-G179 PolarHBondContact O-N 2.81Å; K155-I197 HydrophobicContact CB-CB 4.36Å; K155-I197 HydrophobicContact CB-CD1 4.09Å; K155-I197 HydrophobicContact CD-CB 4.08Å; K155-I197 HydrophobicContact CD-CG2 3.98Å; K155-I197 HydrophobicContact CG-CB 4.05Å
156	S	95.6	Very high	90.7	Very high	29 Å²	29	65.7 Å²	65.7	20%	0.203	33%	0.33	C	S	.	.	S	Bend	trans	-82.8	-40.6	-177	-55.1	0	0	0	0	111.2	Y153 R154	Y153-S156 WeakPolarHBondContact OH-CB 3.36Å; Y153-S156 PolarHBondContact OH-N 2.85Å; Y153-S156 PolarHBondContact OH-OG 2.92Å; R154-S156 PolarHBondContact O-N 2.92Å; R154-S156 VanDerWaalsContact O-N 3.16Å
157	H	97.1	Very high	89.1	Confident	57 Å²	57	62.3 Å²	62.3	26%	0.264	34%	0.335	S	S	.	.	S	Bend	trans	-99.9	106.2	-178.8	-51.1	92.9	0	0	0	110.4	K155 Y199 D200 F203	K155-H157 WeakPolarHBondContact CE-O 3.38Å; H157-Y199 HydrophobicContact CB-CD1 3.98Å; H157-D200 WeakPolarHBondContact CB-OD1 3.37Å; H157-D200 IonicContact CE1-OD1 2.58Å; H157-D200 IonicContact CG-OD1 3.44Å; H157-D200 PolarHBondContact N-OD1 2.96Å; H157-D200 IonicContact ND1-OD1 3.61Å; H157-D200 PolarHBondContact ND1-OD1 3.34Å; H157-F203 HydrophobicContact CB-CD2 3.78Å; H157-F203 HydrophobicContact CB-CE2 3.4Å; H157-F203 VanDerWaalsContact CB-CE2 3.4Å; H157-F203 HydrophobicContact CB-CZ 3.97Å; H157-F203 AromaticContact CD2-CD1 3.65Å; H157-F203 AromaticContact CD2-CD2 3.67Å; H157-F203 AromaticContact CD2-CE1 3.66Å; H157-F203 AromaticContact CD2-CE2 3.7Å; H157-F203 AromaticContact CD2-CG 3.66Å; H157-F203 AromaticContact CD2-CZ 3.69Å; H157-F203 AromaticContact CE1-CG 3.86Å; H157-F203 AromaticContact CG-CD2 3.43Å; H157-F203 VanDerWaalsContact CG-CD2 3.43Å; H157-F203 AromaticContact CG-CE2 3.5Å; H157-F203 VanDerWaalsContact CG-CE2 3.5Å; H157-F203 AromaticContact CG-CG 3.86Å; H157-F203 AromaticContact CG-CZ 3.94Å; H157-F203 AromaticContact ND1-CD2 3.72Å; H157-F203 AromaticContact ND1-CG 3.98Å; H157-F203 AromaticContact NE2-CD1 3.75Å; H157-F203 AromaticContact NE2-CG 3.68Å
158	L	94.9	Very high	87.7	Confident	23 Å²	23	63.6 Å²	63.6	12%	0.12	34%	0.342	C	S	.	.			trans	-81.1	141.2	179	-55.2	-173.8	0	0	0	111.3	K155 D160 E172 T176 P178 Y199	K155-L158 HydrophobicContact CB-CD2 4.44Å; K155-L158 HydrophobicContact CG-CD2 4.46Å; L158-D160 PolarHBondContact O-N 2.86Å; L158-D160 VanDerWaalsContact O-N 3.14Å; L158-E172 HydrophobicContact CB-CB 4.29Å; L158-E172 HydrophobicContact CB-CG 4.3Å; L158-E172 HydrophobicContact CD2-CG 4.32Å; L158-T176 HydrophobicContact CD1-CG2 4.38Å; L158-T176 WeakPolarHBondContact CD1-O 3.33Å; L158-T176 HydrophobicContact CD2-CG2 3.74Å; L158-P178 HydrophobicContact CD1-CB 4.15Å; L158-P178 HydrophobicContact CD1-CG 4.49Å; L158-P178 HydrophobicContact CG-CB 4.17Å; L158-Y199 VanDerWaalsContact O-CD1 3.31Å; L158-Y199 WeakPolarHBondContact O-CD1 3.43Å; L158-Y199 WeakPolarHBondContact O-CE1 3.18Å
159	F	88.9	Confident	86.5	Confident	27 Å²	27	64.5 Å²	64.5	12%	0.118	35%	0.353	C	S	.	.			trans	-80.3	93	-179.2	-172.3	-109.7	0	0	0	111.4	V161 L170 E172 Y199	F159-V161 HydrophobicContact CD1-CB 4.49Å; F159-V161 HydrophobicContact CD2-CG2 3.78Å; F159-V161 HydrophobicContact CE1-CB 3.83Å; F159-V161 HydrophobicContact CE1-CG2 4.07Å; F159-V161 HydrophobicContact CE2-CB 3.92Å; F159-V161 HydrophobicContact CE2-CG2 3.21Å; F159-V161 HydrophobicContact CG-CG2 4.44Å; F159-V161 HydrophobicContact CZ-CB 3.52Å; F159-V161 HydrophobicContact CZ-CG1 4.05Å; F159-V161 HydrophobicContact CZ-CG2 3.38Å; F159-L170 HydrophobicContact CD1-CB 3.97Å; F159-L170 HydrophobicContact CD1-CD1 4.3Å; F159-L170 HydrophobicContact CE1-CB 3.96Å; F159-L170 HydrophobicContact CE1-CD1 3.84Å; F159-E172 HydrophobicContact CB-CB 4.31Å; F159-E172 WeakPolarHBondContact CB-OE2 3.47Å; F159-E172 PolarHBondContact N-OE2 3.28Å; F159-E172 VanDerWaalsContact O-CB 3.31Å; F159-E172 WeakPolarHBondContact O-CB 3.41Å; F159-E172 PolarHBondContact O-N 3.46Å; F159-Y199 HydrophobicContact CB-CD1 4.49Å; F159-Y199 HydrophobicContact CB-CG 4.27Å; F159-Y199 HydrophobicContact CD2-CD1 4.43Å; F159-Y199 AromaticContact CD2-CD2 3.35Å; F159-Y199 HydrophobicContact CD2-CD2 3.35Å; F159-Y199 AromaticContact CD2-CE2 3.44Å; F159-Y199 HydrophobicContact CD2-CE2 3.44Å; F159-Y199 VanDerWaalsContact CD2-CE2 3.44Å; F159-Y199 AromaticContact CD2-CG 3.86Å; F159-Y199 HydrophobicContact CD2-CG 3.86Å; F159-Y199 AromaticContact CE2-CD2 3.93Å; F159-Y199 HydrophobicContact CE2-CD2 3.93Å; F159-Y199 AromaticContact CE2-CE2 3.77Å; F159-Y199 HydrophobicContact CE2-CE2 3.77Å; F159-Y199 HydrophobicContact CG-CD2 4.44Å
160	D	87.6	Confident	85.5	Confident	66 Å²	66	64 Å²	64	35%	0.353	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104.6	168.3	-74.2	5	0	0	0	108.7	L158 L170 K171 E172 S173	L158-D160 PolarHBondContact O-N 2.86Å; L158-D160 VanDerWaalsContact O-N 3.14Å; D160-L170 CarbonylContact C-O 3.42Å; D160-L170 WeakPolarHBondContact CA-O 3.4Å; D160-K171 WeakPolarHBondContact OD1-CA 3.34Å; D160-K171 WeakPolarHBondContact OD1-CG 3.49Å; D160-E172 PolarHBondContact OD1-N 2.8Å; D160-S173 WeakPolarHBondContact OD1-CB 3.45Å; D160-S173 PolarHBondContact OD1-N 3.49Å; D160-S173 PolarHBondContact OD1-OG 2.83Å; D160-S173 VanDerWaalsContact OD1-OG 3.14Å; D160-S173 VanDerWaalsContact OD2-CB 3.22Å; D160-S173 WeakPolarHBondContact OD2-CB 3.45Å; D160-S173 PolarHBondContact OD2-OG 2.97Å
161	V	79.5	Confident	85	Confident	25 Å²	25	66.2 Å²	66.2	15%	0.152	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.8	-178.9	167.3	0	0	0	0	110.8	F159 L163 S169 L170	F159-V161 HydrophobicContact CD1-CB 4.49Å; F159-V161 HydrophobicContact CD2-CG2 3.78Å; F159-V161 HydrophobicContact CE1-CB 3.83Å; F159-V161 HydrophobicContact CE1-CG2 4.07Å; F159-V161 HydrophobicContact CE2-CB 3.92Å; F159-V161 HydrophobicContact CE2-CG2 3.21Å; F159-V161 HydrophobicContact CG-CG2 4.44Å; F159-V161 HydrophobicContact CZ-CB 3.52Å; F159-V161 HydrophobicContact CZ-CG1 4.05Å; F159-V161 HydrophobicContact CZ-CG2 3.38Å; V161-L163 HydrophobicContact CG1-CD1 3.88Å; V161-L163 HydrophobicContact CG1-CD2 4.22Å; V161-L163 HydrophobicContact CG1-CG 3.58Å; V161-S169 WeakPolarHBondContact O-CA 3.34Å; V161-L170 PolarHBondContact N-O 2.88Å; V161-L170 PolarHBondContact O-N 3.37Å
162	E	77.9	Confident	84.5	Confident	148 Å²	148	66.7 Å²	66.7	69%	0.692	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.9	167.8	-65	-176.8	-176.8	0	0	108.4
163	L	74.6	Confident	84.1	Confident	57 Å²	57	66.7 Å²	66.7	30%	0.298	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	79.7	170.8	-57.6	169.7	0	0	0	107.8	V161 E165 K166 G167 V168	V161-L163 HydrophobicContact CG1-CD1 3.88Å; V161-L163 HydrophobicContact CG1-CD2 4.22Å; V161-L163 HydrophobicContact CG1-CG 3.58Å; L163-E165 PolarHBondContact O-N 2.98Å; L163-K166 HydrophobicContact CB-CB 4.15Å; L163-K166 CarbonylContact O-C 3.49Å; L163-K166 PolarHBondContact O-N 2.96Å; L163-G167 PolarHBondContact O-N 3.16Å; L163-V168 HydrophobicContact CB-CB 4.18Å; L163-V168 HydrophobicContact CD1-CB 4.38Å; L163-V168 PolarHBondContact N-O 2.9Å; L163-V168 PolarHBondContact O-N 3.44Å; L163-V168 VanDerWaalsContact O-N 3.15Å
164	P	74.4	Confident	83.7	Confident	115 Å²	115	68.8 Å²	68.8	75%	0.747	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-54.2	-42	-177.3	-26.4	35	0	0	0	112.5	K166 G167	P164-K166 PolarHBondContact O-N 3.39Å; P164-G167 PolarHBondContact O-N 3.1Å; P164-G167 VanDerWaalsContact O-N 3.12Å
165	E	78.9	Confident	83.2	Confident	196 Å²	196	67.2 Å²	67.2	92%	0.916	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.4	-23.8	179.6	-60	-177.2	176.5	0	0	113.9	L163	L163-E165 PolarHBondContact O-N 2.98Å
166	K	69	Low	83.1	Confident	142 Å²	142	67.3 Å²	67.3	62%	0.617	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-108.3	5.4	179.2	-62.1	-174	179.9	179.3	0	112.5	L163 P164 V168	L163-K166 HydrophobicContact CB-CB 4.15Å; L163-K166 CarbonylContact O-C 3.49Å; L163-K166 PolarHBondContact O-N 2.96Å; P164-K166 PolarHBondContact O-N 3.39Å; K166-V168 HydrophobicContact CB-CG2 4.34Å; K166-V168 PolarHBondContact O-N 2.67Å
167	G	65.6	Low	83.1	Confident	71 Å²	71	66.8 Å²	66.8	73%	0.732	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	23	-177.4	0	0	0	0	0	114.3	L163 P164	L163-G167 PolarHBondContact O-N 3.16Å; P164-G167 PolarHBondContact O-N 3.1Å; P164-G167 VanDerWaalsContact O-N 3.12Å
168	V	67.8	Low	83.2	Confident	33 Å²	33	67.1 Å²	67.1	20%	0.2	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.6	179.8	-179.4	0	0	0	0	108.9	L163 K166 L170	L163-V168 HydrophobicContact CB-CB 4.18Å; L163-V168 HydrophobicContact CD1-CB 4.38Å; L163-V168 PolarHBondContact N-O 2.9Å; L163-V168 PolarHBondContact O-N 3.44Å; L163-V168 VanDerWaalsContact O-N 3.15Å; K166-V168 HydrophobicContact CB-CG2 4.34Å; K166-V168 PolarHBondContact O-N 2.67Å; V168-L170 HydrophobicContact CG1-CD1 4.19Å; V168-L170 HydrophobicContact CG1-CG 4.46Å
169	S	74.6	Confident	83.3	Confident	90 Å²	90	66.5 Å²	66.5	63%	0.629	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	108.7	170.2	178.2	0	0	0	0	108.3	V161	V161-S169 WeakPolarHBondContact O-CA 3.34Å
170	L	78.3	Confident	83.5	Confident	56 Å²	56	70.3 Å²	70.3	29%	0.293	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.4	178.6	-73.8	165.8	0	0	0	108.4	F159 D160 V161 V168 T225	F159-L170 HydrophobicContact CD1-CB 3.97Å; F159-L170 HydrophobicContact CD1-CD1 4.3Å; F159-L170 HydrophobicContact CE1-CB 3.96Å; F159-L170 HydrophobicContact CE1-CD1 3.84Å; D160-L170 CarbonylContact C-O 3.42Å; D160-L170 WeakPolarHBondContact CA-O 3.4Å; V161-L170 PolarHBondContact N-O 2.88Å; V161-L170 PolarHBondContact O-N 3.37Å; V168-L170 HydrophobicContact CG1-CD1 4.19Å; V168-L170 HydrophobicContact CG1-CG 4.46Å; L170-T225 HydrophobicContact CD1-CG2 4.01Å
171	K	86.6	Confident	83.9	Confident	124 Å²	124	70.5 Å²	70.5	54%	0.539	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	82.7	179.1	-167.2	172.8	-174.9	169.3	0	109.4	D160 S173 A174	D160-K171 WeakPolarHBondContact OD1-CA 3.34Å; D160-K171 WeakPolarHBondContact OD1-CG 3.49Å; K171-S173 WeakPolarHBondContact CE-OG 3.29Å; K171-S173 WeakPolarHBondContact CG-OG 3.42Å; K171-S173 PolarHBondContact O-N 3.47Å; K171-A174 HydrophobicContact CB-CB 4.45Å; K171-A174 HydrophobicContact CD-CB 4.47Å; K171-A174 HydrophobicContact CG-CB 4.23Å; K171-A174 WeakPolarHBondContact O-CB 3.25Å; K171-A174 PolarHBondContact O-N 3.49Å
172	E	88.4	Confident	84.7	Confident	28 Å²	28	72.7 Å²	72.7	13%	0.131	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-59.1	-34.8	179.1	-176	174.6	-166.3	0	0	110.9	N138 K155 L158 F159 D160 A174 F175 T176	N138-E172 PolarHBondContact ND2-OE1 3.27Å; K155-E172 IonicContact NZ-OE1 3.1Å; K155-E172 PolarHBondContact NZ-OE1 3.49Å; K155-E172 IonicContact NZ-OE2 3.86Å; K155-E172 PolarHBondContact NZ-OE2 2.81Å; L158-E172 HydrophobicContact CB-CB 4.29Å; L158-E172 HydrophobicContact CB-CG 4.3Å; L158-E172 HydrophobicContact CD2-CG 4.32Å; F159-E172 HydrophobicContact CB-CB 4.31Å; F159-E172 WeakPolarHBondContact CB-OE2 3.47Å; F159-E172 PolarHBondContact N-OE2 3.28Å; F159-E172 VanDerWaalsContact O-CB 3.31Å; F159-E172 WeakPolarHBondContact O-CB 3.41Å; F159-E172 PolarHBondContact O-N 3.46Å; D160-E172 PolarHBondContact OD1-N 2.8Å; E172-A174 PolarHBondContact O-N 3.27Å; E172-F175 PolarHBondContact O-N 3.34Å; E172-T176 HydrophobicContact CG-CG2 4.3Å; E172-T176 VanDerWaalsContact O-CB 3.31Å; E172-T176 WeakPolarHBondContact O-CB 3.35Å; E172-T176 PolarHBondContact O-N 3.37Å; E172-T176 PolarHBondContact O-OG1 2.76Å
173	S	91.5	Very high	85.6	Confident	36 Å²	36	67 Å²	67	25%	0.252	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-61.8	-18.2	179.5	72.1	0	0	0	0	115	D160 K171 F175	D160-S173 WeakPolarHBondContact OD1-CB 3.45Å; D160-S173 PolarHBondContact OD1-N 3.49Å; D160-S173 PolarHBondContact OD1-OG 2.83Å; D160-S173 VanDerWaalsContact OD1-OG 3.14Å; D160-S173 VanDerWaalsContact OD2-CB 3.22Å; D160-S173 WeakPolarHBondContact OD2-CB 3.45Å; D160-S173 PolarHBondContact OD2-OG 2.97Å; K171-S173 WeakPolarHBondContact CE-OG 3.29Å; K171-S173 WeakPolarHBondContact CG-OG 3.42Å; K171-S173 PolarHBondContact O-N 3.47Å; S173-F175 PolarHBondContact O-N 2.74Å
174	A	88.5	Confident	86.7	Confident	44 Å²	44	68.7 Å²	68.7	36%	0.364	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-66.7	-20	-178	0	0	0	0	0	113.6	R89 K171 E172	R89-A174 PolarHBondContact NH1-O 2.93Å; R89-A174 PolarHBondContact NH2-O 2.93Å; R89-A174 VanDerWaalsContact NH2-O 3.14Å; K171-A174 HydrophobicContact CB-CB 4.45Å; K171-A174 HydrophobicContact CD-CB 4.47Å; K171-A174 HydrophobicContact CG-CB 4.23Å; K171-A174 WeakPolarHBondContact O-CB 3.25Å; K171-A174 PolarHBondContact O-N 3.49Å; E172-A174 PolarHBondContact O-N 3.27Å
175	F	89.3	Confident	87.9	Confident	43 Å²	43	64 Å²	64	19%	0.189	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	-10.6	-179.8	59.9	-88.2	0	0	0	114.2	R89 T92 L93 R135 I136 E172 S173	R89-F175 HydrophobicContact CG-CB 4.27Å; R89-F175 HydrophobicContact CG-CD1 4.01Å; R89-F175 HydrophobicContact CG-CG 4.12Å; T92-F175 HydrophobicContact CG2-CE2 4.13Å; L93-F175 HydrophobicContact CD1-CB 4.48Å; L93-F175 HydrophobicContact CD2-CB 4.29Å; L93-F175 HydrophobicContact CD2-CD2 4.29Å; R135-F175 VanDerWaalsContact CA-O 3.31Å; R135-F175 WeakPolarHBondContact CA-O 3.45Å; R135-F175 WeakPolarHBondContact CB-O 3.37Å; I136-F175 HydrophobicContact CD1-CD2 4.06Å; I136-F175 HydrophobicContact CD1-CE2 4.19Å; I136-F175 HydrophobicContact CG1-CD2 4.17Å; I136-F175 PolarHBondContact N-O 2.76Å; E172-F175 PolarHBondContact O-N 3.34Å; S173-F175 PolarHBondContact O-N 2.74Å
176	T	95.7	Very high	88.8	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.025	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-96.2	142.3	172.4	-52.2	0	0	0	0	110.7	R135 I136 N138 L158 E172	R135-T176 PolarHBondContact NH2-O 3.38Å; I136-T176 CarbonylContact O-C 3.39Å; I136-T176 WeakPolarHBondContact O-CA 3.24Å; I136-T176 WeakPolarHBondContact O-CG2 3.25Å; N138-T176 HydrophobicContact CB-CG2 4.21Å; L158-T176 HydrophobicContact CD1-CG2 4.38Å; L158-T176 WeakPolarHBondContact CD1-O 3.33Å; L158-T176 HydrophobicContact CD2-CG2 3.74Å; E172-T176 HydrophobicContact CG-CG2 4.3Å; E172-T176 VanDerWaalsContact O-CB 3.31Å; E172-T176 WeakPolarHBondContact O-CB 3.35Å; E172-T176 PolarHBondContact O-N 3.37Å; E172-T176 PolarHBondContact O-OG1 2.76Å
177	I	96.9	Very high	90.2	Very high	17 Å²	17	54.4 Å²	54.4	9%	0.087	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-92.6	129.2	174.7	-50	171.8	0	0	0	107.8	R135 I136 Y137	R135-I177 HydrophobicContact CB-CD1 3.84Å; R135-I177 HydrophobicContact CB-CG1 3.57Å; I136-I177 PolarHBondContact O-N 3.35Å; Y137-I177 HydrophobicContact CD1-CB 3.7Å; Y137-I177 HydrophobicContact CD1-CG2 4.14Å; Y137-I177 WeakPolarHBondContact CD1-O 3.28Å; Y137-I177 HydrophobicContact CE1-CB 3.44Å; Y137-I177 VanDerWaalsContact CE1-CB 3.44Å; Y137-I177 HydrophobicContact CE1-CD1 4.14Å; Y137-I177 HydrophobicContact CE1-CG1 4.36Å; Y137-I177 HydrophobicContact CE1-CG2 3.38Å; Y137-I177 HydrophobicContact CE2-CD1 4.13Å
178	P	97.4	Very high	91.8	Very high	64 Å²	64	51.5 Å²	51.5	42%	0.416	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.2	137.5	173.8	27.7	-33	0	0	0	110	L158	L158-P178 HydrophobicContact CD1-CB 4.15Å; L158-P178 HydrophobicContact CD1-CG 4.49Å; L158-P178 HydrophobicContact CG-CB 4.17Å
179	G	96.9	Very high	93.3	Very high	10 Å²	10	52.9 Å²	52.9	10%	0.103	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62.5	140	176	0	0	0	0	0	111.7	R154 K155 S181	R154-G179 WeakPolarHBondContact O-CA 3.45Å; K155-G179 PolarHBondContact O-N 2.81Å; G179-S181 PolarHBondContact O-N 2.96Å
180	P	94.6	Very high	94.4	Very high	107 Å²	107	48.7 Å²	48.7	70%	0.695	29%	0.285	S	S	*	.	S	Bend	trans	-77.9	-20.1	-169.2	31.3	-36.7	0	0	0	114
181	S	95.4	Very high	95.3	Very high	71 Å²	71	46.1 Å²	46.1	50%	0.497	27%	0.272	S	S	.	.	S	Bend	trans	-162.7	162	-173.1	56.6	0	0	0	0	112.6	G179	G179-S181 PolarHBondContact O-N 2.96Å
182	L	95.4	Very high	95.9	Very high	71 Å²	71	44 Å²	44	37%	0.372	26%	0.262	S	S	.	.			trans	-71.4	155.2	164	-63.3	179.1	0	0	0	110.5	Y153 L206 A209	Y153-L182 HydrophobicContact CE2-CD2 4.13Å; L182-L206 HydrophobicContact CD2-CD1 3.66Å; L182-L206 HydrophobicContact CD2-CG 3.73Å; L182-A209 HydrophobicContact CD1-CB 3.69Å
183	V	97.8	Very high	96.4	Very high	27 Å²	27	42.7 Å²	42.7	16%	0.164	26%	0.256	C	S	.	.			trans	-111.9	147.3	169.1	-60.1	0	0	0	0	109.7	Y153 L195	Y153-V183 HydrophobicContact CD2-CG2 4.22Å; Y153-V183 HydrophobicContact CG-CG2 4.38Å; V183-L195 HydrophobicContact CG2-CB 4.35Å; V183-L195 HydrophobicContact CG2-CD1 3.96Å; V183-L195 HydrophobicContact CG2-CG 4.38Å
184	P	97.9	Very high	96.8	Very high	93 Å²	93	41 Å²	41	60%	0.604	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-65	152.1	178.4	27.3	-34.6	0	0	0	111.4	V186	P184-V186 PolarHBondContact O-N 3.46Å
185	P	98.8	Very high	97.3	Very high	18 Å²	18	38.9 Å²	38.9	12%	0.117	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-56.2	134.1	173.8	-25.4	35.1	0	0	0	112.2	K192 V193 L210 H213 A215	P185-K192 HydrophobicContact CB-CB 4.1Å; P185-V193 CarbonylContact C-O 3.53Å; P185-V193 VanDerWaalsContact CA-O 3.25Å; P185-V193 WeakPolarHBondContact CA-O 3.28Å; P185-L210 HydrophobicContact CG-CD2 4.32Å; P185-H213 HydrophobicContact CG-CB 4.08Å; P185-A215 HydrophobicContact CB-CB 4.13Å; P185-A215 HydrophobicContact CG-CB 3.8Å
186	V	98.7	Very high	97.7	Very high	18 Å²	18	36.9 Å²	36.9	11%	0.109	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129	-176.5	-172.7	0	0	0	0	109.6	I142 L150 S151 P184 T188 K192 V193	I142-V186 HydrophobicContact CG1-CG2 4.32Å; I142-V186 HydrophobicContact CG2-CG1 4.23Å; L150-V186 HydrophobicContact CB-CG1 4.17Å; L150-V186 HydrophobicContact CD1-CG1 4.23Å; S151-V186 VanDerWaalsContact CB-CG2 3.44Å; P184-V186 PolarHBondContact O-N 3.46Å; V186-T188 HydrophobicContact CB-CG2 4.36Å; V186-T188 HydrophobicContact CG1-CG2 4.25Å; V186-T188 WeakPolarHBondContact O-CG2 3.22Å; V186-T188 PolarHBondContact O-N 3.13Å; V186-K192 CarbonylContact O-C 3.51Å; V186-K192 WeakPolarHBondContact O-CA 3.36Å; V186-V193 PolarHBondContact N-O 2.83Å; V186-V193 PolarHBondContact O-N 2.69Å
187	Q	98.6	Very high	97.9	Very high	118 Å²	118	36.7 Å²	36.7	55%	0.551	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.7	171.3	-176.4	62.9	59.5	0	0	109.8	W117	W117-Q187 WeakPolarHBondContact CH2-O 3.22Å
188	T	98.8	Very high	97.9	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	173.2	-179.8	76.3	0	0	0	0	110.9	M75 W117 V186 I190 G191 V193	M75-T188 HydrophobicContact CE-CG2 4.21Å; M75-T188 HydrophobicContact SD-CG2 4.07Å; W117-T188 HydrophobicContact CE3-CG2 3.85Å; W117-T188 HydrophobicContact CZ3-CG2 3.64Å; V186-T188 HydrophobicContact CB-CG2 4.36Å; V186-T188 HydrophobicContact CG1-CG2 4.25Å; V186-T188 WeakPolarHBondContact O-CG2 3.22Å; V186-T188 PolarHBondContact O-N 3.13Å; T188-I190 PolarHBondContact O-N 2.91Å; T188-I190 WeakPolarHBondContact OG1-CG1 3.02Å; T188-I190 PolarHBondContact OG1-N 2.86Å; T188-G191 PolarHBondContact N-O 2.72Å; T188-G191 PolarHBondContact O-N 3.46Å; T188-G191 PolarHBondContact OG1-O 3.33Å; T188-V193 HydrophobicContact CG2-CB 4.15Å; T188-V193 HydrophobicContact CG2-CG2 3.74Å
189	P	98.3	Very high	97.9	Very high	63 Å²	63	35.5 Å²	35.5	41%	0.409	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.7	175.2	-24.8	35.9	0	0	0	114.8	P41 W117	P41-P189 WeakPolarHBondContact CG-O 3.24Å; W117-P189 HydrophobicContact CD2-CG 4.12Å; W117-P189 VanDerWaalsContact CE2-CD 3.48Å; W117-P189 HydrophobicContact CG-CG 4.13Å; W117-P189 HydrophobicContact CZ2-CG 4.29Å
190	I	98.4	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-0.9	179.2	60	166.6	0	0	0	113.3	P41 A43 M75 F77 T188 V193 I217 L249 V292	P41-I190 HydrophobicContact CB-CG2 3.81Å; P41-I190 HydrophobicContact CG-CB 4.34Å; P41-I190 HydrophobicContact CG-CG2 4.06Å; A43-I190 HydrophobicContact CB-CD1 4.12Å; M75-I190 HydrophobicContact CB-CD1 4.28Å; M75-I190 HydrophobicContact CB-CG2 4.41Å; M75-I190 HydrophobicContact CG-CD1 4.4Å; M75-I190 HydrophobicContact SD-CD1 3.68Å; M75-I190 HydrophobicContact SD-CG1 3.86Å; F77-I190 HydrophobicContact CE2-CD1 3.84Å; F77-I190 HydrophobicContact CZ-CD1 3.67Å; T188-I190 PolarHBondContact O-N 2.91Å; T188-I190 WeakPolarHBondContact OG1-CG1 3.02Å; T188-I190 PolarHBondContact OG1-N 2.86Å; I190-V193 HydrophobicContact CD1-CG2 4.24Å; I190-V193 HydrophobicContact CG1-CG2 4.25Å; I190-I217 HydrophobicContact CB-CD1 4.17Å; I190-I217 HydrophobicContact CD1-CD1 3.53Å; I190-I217 HydrophobicContact CG1-CD1 3.59Å; I190-I217 WeakPolarHBondContact O-CD1 3.32Å; I190-L249 HydrophobicContact CD1-CD1 4.19Å; I190-V292 HydrophobicContact CB-CB 4.19Å; I190-V292 HydrophobicContact CB-CG1 4.4Å; I190-V292 HydrophobicContact CB-CG2 4.16Å; I190-V292 HydrophobicContact CD1-CG2 4.43Å; I190-V292 HydrophobicContact CG2-CG2 4.36Å; I190-V292 VanDerWaalsContact O-CG1 3.29Å; I190-V292 WeakPolarHBondContact O-CG1 3.44Å
191	G	98.5	Very high	98.2	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.2	-170.3	-174.6	0	0	0	0	0	113.1	T188	T188-G191 PolarHBondContact N-O 2.72Å; T188-G191 PolarHBondContact O-N 3.46Å; T188-G191 PolarHBondContact OG1-O 3.33Å
192	K	98.8	Very high	98.3	Very high	80 Å²	80	29.9 Å²	29.9	35%	0.348	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.4	177.2	-72.1	179.3	176.3	-178.7	0	111.4	P185 V186 G214 D216 I217	P185-K192 HydrophobicContact CB-CB 4.1Å; V186-K192 CarbonylContact O-C 3.51Å; V186-K192 WeakPolarHBondContact O-CA 3.36Å; K192-G214 WeakPolarHBondContact CB-O 3.02Å; K192-G214 WeakPolarHBondContact CD-O 3.33Å; K192-D216 PolarHBondContact N-OD2 3.49Å; K192-D216 PolarHBondContact O-N 3.03Å; K192-I217 PolarHBondContact O-N 3.39Å
193	V	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.1	-176.4	-179.7	0	0	0	0	110.3	M75 F77 P185 V186 T188 I190 L195 I217 T219	M75-V193 HydrophobicContact CE-CG2 4.34Å; M75-V193 HydrophobicContact SD-CG2 4.35Å; F77-V193 HydrophobicContact CE1-CG1 4.33Å; P185-V193 CarbonylContact C-O 3.53Å; P185-V193 VanDerWaalsContact CA-O 3.25Å; P185-V193 WeakPolarHBondContact CA-O 3.28Å; V186-V193 PolarHBondContact N-O 2.83Å; V186-V193 PolarHBondContact O-N 2.69Å; T188-V193 HydrophobicContact CG2-CB 4.15Å; T188-V193 HydrophobicContact CG2-CG2 3.74Å; I190-V193 HydrophobicContact CD1-CG2 4.24Å; I190-V193 HydrophobicContact CG1-CG2 4.25Å; V193-L195 HydrophobicContact CG1-CD2 3.9Å; V193-I217 HydrophobicContact CG2-CB 4.26Å; V193-I217 HydrophobicContact CG2-CD1 3.83Å; V193-T219 HydrophobicContact CG1-CG2 3.6Å
194	G	98.9	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.2	172.1	0	0	0	0	0	111.8	I217 T219	G194-I217 PolarHBondContact N-O 3.3Å; G194-T219 PolarHBondContact O-N 3.38Å; G194-T219 VanDerWaalsContact O-N 3.09Å; G194-T219 PolarHBondContact O-OG1 3.4Å
195	L	98.9	Very high	98.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.6	-169.9	-50.2	-177.5	0	0	0	112.1	I142 Y153 V183 V193	I142-L195 HydrophobicContact CD1-CD2 3.73Å; I142-L195 HydrophobicContact CG1-CD1 3.81Å; I142-L195 HydrophobicContact CG1-CD2 3.78Å; I142-L195 HydrophobicContact CG1-CG 4.43Å; Y153-L195 HydrophobicContact CD1-CB 4.24Å; Y153-L195 HydrophobicContact CG-CB 4.02Å; V183-L195 HydrophobicContact CG2-CB 4.35Å; V183-L195 HydrophobicContact CG2-CD1 3.96Å; V183-L195 HydrophobicContact CG2-CG 4.38Å; V193-L195 HydrophobicContact CG1-CD2 3.9Å
196	G	98.7	Very high	98.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	15%	0.148	C	C	.	.			trans	-143.5	170	166.9	0	0	0	0	0	108.7	H140 T219 P221	H140-G196 PolarHBondContact ND1-O 2.68Å; G196-T219 CarbonylContact C-O 3.56Å; G196-T219 WeakPolarHBondContact CA-O 3.49Å; G196-T219 PolarHBondContact N-O 3.08Å; G196-T219 VanDerWaalsContact O-O 3.13Å; G196-P221 VanDerWaalsContact O-CD 3.29Å; G196-P221 WeakPolarHBondContact O-CD 3.36Å
197	I	98.8	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.			trans	-138.6	124.3	177.5	-53.1	178.8	0	0	0	109.2	E80 N138 H140 Y153 K155 Y199 D200 P221	E80-I197 HydrophobicContact CB-CG2 4.16Å; E80-I197 HydrophobicContact CG-CG2 3.96Å; N138-I197 WeakPolarHBondContact O-CD1 3.41Å; H140-I197 HydrophobicContact CB-CD1 3.54Å; H140-I197 HydrophobicContact CB-CG1 3.71Å; Y153-I197 HydrophobicContact CD1-CD1 4.14Å; Y153-I197 HydrophobicContact CD1-CG1 3.93Å; Y153-I197 HydrophobicContact CE1-CD1 4.36Å; Y153-I197 HydrophobicContact CE1-CG1 3.97Å; K155-I197 HydrophobicContact CB-CB 4.36Å; K155-I197 HydrophobicContact CB-CD1 4.09Å; K155-I197 HydrophobicContact CD-CB 4.08Å; K155-I197 HydrophobicContact CD-CG2 3.98Å; K155-I197 HydrophobicContact CG-CB 4.05Å; I197-Y199 PolarHBondContact O-N 2.66Å; I197-D200 PolarHBondContact N-OD2 3.48Å; I197-D200 WeakPolarHBondContact O-CB 3.48Å; I197-D200 PolarHBondContact O-N 3.41Å; I197-D200 VanDerWaalsContact O-OD2 3.1Å; I197-P221 HydrophobicContact CG1-CG 4.46Å
198	C	97.9	Very high	98.3	Very high	10 Å²	10	25.1 Å²	25.1	7%	0.068	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	46	-98.6	164.7	-169.9	0	0	0	0	115.4	E80 D200 L201 P221 S222 F224	E80-C198 WeakPolarHBondContact OE2-CB 3.45Å; E80-C198 PolarHBondContact OE2-SG 2.94Å; C198-D200 PolarHBondContact O-N 3.39Å; C198-L201 WeakPolarHBondContact O-CB 3.48Å; C198-L201 PolarHBondContact O-N 3.21Å; C198-P221 PolarHBondContact N-O 2.85Å; C198-S222 WeakPolarHBondContact CA-OG 3.47Å; C198-F224 HydrophobicContact CB-CE2 4.42Å; C198-F224 VanDerWaalsContact SG-CD2 3.52Å; C198-F224 VanDerWaalsContact SG-CE2 3.55Å
199	Y	97.6	Very high	98.2	Very high	45 Å²	45	25.4 Å²	25.4	18%	0.176	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-64.1	-24.4	-175.4	-161.8	-130.7	0	0	0	113.9	H157 L158 F159 I197 L201 R202 F203	H157-Y199 HydrophobicContact CB-CD1 3.98Å; L158-Y199 VanDerWaalsContact O-CD1 3.31Å; L158-Y199 WeakPolarHBondContact O-CD1 3.43Å; L158-Y199 WeakPolarHBondContact O-CE1 3.18Å; F159-Y199 HydrophobicContact CB-CD1 4.49Å; F159-Y199 HydrophobicContact CB-CG 4.27Å; F159-Y199 HydrophobicContact CD2-CD1 4.43Å; F159-Y199 AromaticContact CD2-CD2 3.35Å; F159-Y199 HydrophobicContact CD2-CD2 3.35Å; F159-Y199 AromaticContact CD2-CE2 3.44Å; F159-Y199 HydrophobicContact CD2-CE2 3.44Å; F159-Y199 VanDerWaalsContact CD2-CE2 3.44Å; F159-Y199 AromaticContact CD2-CG 3.86Å; F159-Y199 HydrophobicContact CD2-CG 3.86Å; F159-Y199 AromaticContact CE2-CD2 3.93Å; F159-Y199 HydrophobicContact CE2-CD2 3.93Å; F159-Y199 AromaticContact CE2-CE2 3.77Å; F159-Y199 HydrophobicContact CE2-CE2 3.77Å; F159-Y199 HydrophobicContact CG-CD2 4.44Å; I197-Y199 PolarHBondContact O-N 2.66Å; Y199-L201 PolarHBondContact O-N 3.44Å; Y199-R202 HydrophobicContact CD2-CG 4.16Å; Y199-R202 HydrophobicContact CE2-CG 4.29Å; Y199-R202 VanDerWaalsContact CE2-NE 3.32Å; Y199-R202 WeakPolarHBondContact O-CB 3.33Å; Y199-R202 PolarHBondContact O-N 2.8Å; Y199-F203 AromaticContact CD1-CE2 3.8Å; Y199-F203 HydrophobicContact CD1-CE2 3.8Å; Y199-F203 HydrophobicContact CD1-CZ 4.31Å; Y199-F203 AromaticContact CE1-CE2 3.87Å; Y199-F203 HydrophobicContact CE1-CE2 3.87Å; Y199-F203 AromaticContact CE1-CZ 3.96Å; Y199-F203 HydrophobicContact CE1-CZ 3.96Å; Y199-F203 HydrophobicContact CG-CE2 4.31Å; Y199-F203 VanDerWaalsContact O-CD2 3.31Å; Y199-F203 WeakPolarHBondContact O-CD2 3.29Å; Y199-F203 WeakPolarHBondContact O-CE2 3.21Å
200	D	98.4	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-53.2	-27.9	170.1	-68.1	-36.6	0	0	0	112.3	Y153 H157 I197 C198 R202 F203 L206	Y153-D200 VanDerWaalsContact CE1-OD2 3.28Å; Y153-D200 WeakPolarHBondContact CE1-OD2 3.35Å; Y153-D200 PolarHBondContact OH-OD1 2.93Å; Y153-D200 PolarHBondContact OH-OD2 3.48Å; H157-D200 WeakPolarHBondContact CB-OD1 3.37Å; H157-D200 IonicContact CE1-OD1 2.58Å; H157-D200 IonicContact CG-OD1 3.44Å; H157-D200 PolarHBondContact N-OD1 2.96Å; H157-D200 IonicContact ND1-OD1 3.61Å; H157-D200 PolarHBondContact ND1-OD1 3.34Å; I197-D200 PolarHBondContact N-OD2 3.48Å; I197-D200 WeakPolarHBondContact O-CB 3.48Å; I197-D200 PolarHBondContact O-N 3.41Å; I197-D200 VanDerWaalsContact O-OD2 3.1Å; C198-D200 PolarHBondContact O-N 3.39Å; D200-R202 PolarHBondContact O-N 3.08Å; D200-R202 VanDerWaalsContact O-N 3.08Å; D200-F203 PolarHBondContact O-N 2.89Å; D200-L206 HydrophobicContact CB-CD1 3.81Å; D200-L206 HydrophobicContact CB-CD2 4.44Å
201	L	98.3	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-54.8	-28.2	175.5	-179.6	56.2	0	0	0	112.7	C198 Y199 F203 Y220 F224 W233 L236 L237 R240	C198-L201 WeakPolarHBondContact O-CB 3.48Å; C198-L201 PolarHBondContact O-N 3.21Å; Y199-L201 PolarHBondContact O-N 3.44Å; L201-F203 VanDerWaalsContact C-N 3.29Å; L201-F203 PolarHBondContact O-N 3.27Å; L201-Y220 HydrophobicContact CB-CD1 3.72Å; L201-Y220 HydrophobicContact CB-CE1 4.21Å; L201-Y220 HydrophobicContact CB-CG 4.08Å; L201-Y220 HydrophobicContact CD1-CD1 4.04Å; L201-Y220 HydrophobicContact CD1-CD2 3.86Å; L201-Y220 HydrophobicContact CD1-CE1 4.12Å; L201-Y220 HydrophobicContact CD1-CE2 3.96Å; L201-Y220 HydrophobicContact CD1-CG 3.91Å; L201-Y220 HydrophobicContact CG-CD1 4.46Å; L201-Y220 HydrophobicContact CG-CG 4.46Å; L201-F224 HydrophobicContact CD2-CZ 3.93Å; L201-W233 HydrophobicContact CD2-CE3 3.87Å; L201-W233 HydrophobicContact CD2-CZ3 3.78Å; L201-L236 HydrophobicContact CD1-CB 4.04Å; L201-L236 HydrophobicContact CD2-CB 3.79Å; L201-L236 HydrophobicContact CD2-CD1 4.38Å; L201-L236 HydrophobicContact CG-CB 3.71Å; L201-L236 HydrophobicContact CG-CD1 4.25Å; L201-L237 HydrophobicContact CD1-CD2 3.82Å; L201-L237 HydrophobicContact CD1-CG 4.45Å; L201-L237 HydrophobicContact CD2-CD2 3.68Å; L201-L237 HydrophobicContact CD2-CG 3.9Å; L201-L237 HydrophobicContact CG-CD2 4.41Å; L201-R240 HydrophobicContact CD1-CB 4.49Å; L201-R240 HydrophobicContact CD1-CG 3.44Å; L201-R240 VanDerWaalsContact CD1-CG 3.44Å; L201-R240 PolarHBondContact O-NE 3.16Å; L201-R240 PolarHBondContact O-NH2 3.16Å
202	R	97.8	Very high	98.1	Very high	70 Å²	70	30.9 Å²	30.9	26%	0.264	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-77.4	-14.9	-178.9	-63.8	-170.8	-174.1	-87.6	-2.4	113.8	Y199 D200 P204 L236 R240	Y199-R202 HydrophobicContact CD2-CG 4.16Å; Y199-R202 HydrophobicContact CE2-CG 4.29Å; Y199-R202 VanDerWaalsContact CE2-NE 3.32Å; Y199-R202 WeakPolarHBondContact O-CB 3.33Å; Y199-R202 PolarHBondContact O-N 2.8Å; D200-R202 PolarHBondContact O-N 3.08Å; D200-R202 VanDerWaalsContact O-N 3.08Å; R202-P204 VanDerWaalsContact O-CD 3.25Å; R202-P204 WeakPolarHBondContact O-CD 3.32Å; R202-L236 HydrophobicContact CG-CD1 4.07Å; R202-R240 PolarHBondContact O-NH2 2.8Å
203	F	98.1	Very high	98.1	Very high	60 Å²	60	33.2 Å²	33.2	26%	0.263	15%	0.15	S	C	.	.			trans	-106.3	94.5	-173.6	-57.5	-92.1	0	0	0	109.4	H157 Y199 D200 L201 E205 L206	H157-F203 HydrophobicContact CB-CD2 3.78Å; H157-F203 HydrophobicContact CB-CE2 3.4Å; H157-F203 VanDerWaalsContact CB-CE2 3.4Å; H157-F203 HydrophobicContact CB-CZ 3.97Å; H157-F203 AromaticContact CD2-CD1 3.65Å; H157-F203 AromaticContact CD2-CD2 3.67Å; H157-F203 AromaticContact CD2-CE1 3.66Å; H157-F203 AromaticContact CD2-CE2 3.7Å; H157-F203 AromaticContact CD2-CG 3.66Å; H157-F203 AromaticContact CD2-CZ 3.69Å; H157-F203 AromaticContact CE1-CG 3.86Å; H157-F203 AromaticContact CG-CD2 3.43Å; H157-F203 VanDerWaalsContact CG-CD2 3.43Å; H157-F203 AromaticContact CG-CE2 3.5Å; H157-F203 VanDerWaalsContact CG-CE2 3.5Å; H157-F203 AromaticContact CG-CG 3.86Å; H157-F203 AromaticContact CG-CZ 3.94Å; H157-F203 AromaticContact ND1-CD2 3.72Å; H157-F203 AromaticContact ND1-CG 3.98Å; H157-F203 AromaticContact NE2-CD1 3.75Å; H157-F203 AromaticContact NE2-CG 3.68Å; Y199-F203 AromaticContact CD1-CE2 3.8Å; Y199-F203 HydrophobicContact CD1-CE2 3.8Å; Y199-F203 HydrophobicContact CD1-CZ 4.31Å; Y199-F203 AromaticContact CE1-CE2 3.87Å; Y199-F203 HydrophobicContact CE1-CE2 3.87Å; Y199-F203 AromaticContact CE1-CZ 3.96Å; Y199-F203 HydrophobicContact CE1-CZ 3.96Å; Y199-F203 HydrophobicContact CG-CE2 4.31Å; Y199-F203 VanDerWaalsContact O-CD2 3.31Å; Y199-F203 WeakPolarHBondContact O-CD2 3.29Å; Y199-F203 WeakPolarHBondContact O-CE2 3.21Å; D200-F203 PolarHBondContact O-N 2.89Å; L201-F203 VanDerWaalsContact C-N 3.29Å; L201-F203 PolarHBondContact O-N 3.27Å; F203-E205 PolarHBondContact O-N 3.44Å; F203-E205 VanDerWaalsContact O-N 3.16Å; F203-L206 PolarHBondContact O-N 3.38Å
204	P	97.6	Very high	98	Very high	36 Å²	36	34.3 Å²	34.3	23%	0.234	16%	0.162	C	C	.	.	H	α-helix	trans	-56.9	-29.8	-178.8	22.1	-31.9	0	0	0	112.6	R202 L206 S207 L208	R202-P204 VanDerWaalsContact O-CD 3.25Å; R202-P204 WeakPolarHBondContact O-CD 3.32Å; P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 PolarHBondContact O-N 3.32Å; P204-S207 WeakPolarHBondContact O-CB 3.38Å; P204-S207 PolarHBondContact O-N 3.02Å; P204-L208 VanDerWaalsContact O-CG 3.28Å; P204-L208 WeakPolarHBondContact O-CG 3.42Å; P204-L208 PolarHBondContact O-N 2.81Å
205	E	97	Very high	98	Very high	121 Å²	121	34.3 Å²	34.3	57%	0.565	16%	0.162	S	C	*	.	H	α-helix	trans	-56.6	-40.1	-178.4	-58.8	79.2	-174.6	0	0	112.4	F203 A209	F203-E205 PolarHBondContact O-N 3.44Å; F203-E205 VanDerWaalsContact O-N 3.16Å; E205-A209 VanDerWaalsContact O-CB 3.27Å; E205-A209 WeakPolarHBondContact O-CB 3.04Å; E205-A209 PolarHBondContact O-N 3.41Å
206	L	98.3	Very high	98	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-47.1	176.2	179.1	148.9	0	0	0	110.6	L182 D200 F203 P204 A209 L210 Y220	L182-L206 HydrophobicContact CD2-CD1 3.66Å; L182-L206 HydrophobicContact CD2-CG 3.73Å; D200-L206 HydrophobicContact CB-CD1 3.81Å; D200-L206 HydrophobicContact CB-CD2 4.44Å; F203-L206 PolarHBondContact O-N 3.38Å; P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 PolarHBondContact O-N 3.32Å; L206-A209 WeakPolarHBondContact O-CB 3.32Å; L206-A209 PolarHBondContact O-N 3.38Å; L206-L210 HydrophobicContact CD2-CD1 3.62Å; L206-L210 HydrophobicContact CD2-CG 4.49Å; L206-L210 HydrophobicContact CG-CD1 4.45Å; L206-L210 WeakPolarHBondContact O-CG 3.09Å; L206-L210 PolarHBondContact O-N 3.15Å; L206-Y220 HydrophobicContact CD2-CE1 4.49Å
207	S	98.6	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-43	-178	-45.1	0	0	0	0	111.2	P204 L210 Q211 Y220 R240	P204-S207 WeakPolarHBondContact O-CB 3.38Å; P204-S207 PolarHBondContact O-N 3.02Å; S207-L210 PolarHBondContact O-N 3.14Å; S207-Q211 WeakPolarHBondContact O-CB 3.4Å; S207-Q211 PolarHBondContact O-N 3.21Å; S207-Y220 WeakPolarHBondContact CB-OH 3.43Å; S207-Y220 PolarHBondContact OG-OH 2.85Å; S207-R240 WeakPolarHBondContact OG-CD 3.11Å
208	L	97.3	Very high	98	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.12	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-38.5	174.3	-65.4	177.2	0	0	0	112	P204 Q211 R212 E243 T244	P204-L208 VanDerWaalsContact O-CG 3.28Å; P204-L208 WeakPolarHBondContact O-CG 3.42Å; P204-L208 PolarHBondContact O-N 2.81Å; L208-Q211 PolarHBondContact O-N 3.26Å; L208-R212 WeakPolarHBondContact O-CB 3.29Å; L208-R212 WeakPolarHBondContact O-CG 3.47Å; L208-R212 PolarHBondContact O-N 3.5Å; L208-E243 HydrophobicContact CD2-CG 4.41Å; L208-T244 HydrophobicContact CD2-CG2 4.24Å
209	A	97.6	Very high	98.1	Very high	14 Å²	14	35.1 Å²	35.1	12%	0.116	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-46	175.5	0	0	0	0	0	111.4	L182 E205 L206 R212 H213	L182-A209 HydrophobicContact CD1-CB 3.69Å; E205-A209 VanDerWaalsContact O-CB 3.27Å; E205-A209 WeakPolarHBondContact O-CB 3.04Å; E205-A209 PolarHBondContact O-N 3.41Å; L206-A209 WeakPolarHBondContact O-CB 3.32Å; L206-A209 PolarHBondContact O-N 3.38Å; A209-R212 PolarHBondContact O-N 3.11Å; A209-H213 PolarHBondContact O-N 3.36Å; A209-H213 PolarHBondContact O-ND1 3.12Å
210	L	98.6	Very high	98.1	Very high	5 Å²	5	33 Å²	33	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-42.5	176.2	-69	170.6	0	0	0	112	P185 L206 S207 R212 H213 G214 A215 L218	P185-L210 HydrophobicContact CG-CD2 4.32Å; L206-L210 HydrophobicContact CD2-CD1 3.62Å; L206-L210 HydrophobicContact CD2-CG 4.49Å; L206-L210 HydrophobicContact CG-CD1 4.45Å; L206-L210 WeakPolarHBondContact O-CG 3.09Å; L206-L210 PolarHBondContact O-N 3.15Å; S207-L210 PolarHBondContact O-N 3.14Å; L210-R212 PolarHBondContact O-N 2.86Å; L210-H213 CarbonylContact O-C 3.58Å; L210-H213 PolarHBondContact O-N 3.42Å; L210-H213 VanDerWaalsContact O-N 3.12Å; L210-G214 PolarHBondContact O-N 3.18Å; L210-A215 HydrophobicContact CB-CB 4.25Å; L210-A215 WeakPolarHBondContact O-CB 3.41Å; L210-A215 PolarHBondContact O-N 3.29Å; L210-A215 VanDerWaalsContact O-N 3.11Å; L210-L218 HydrophobicContact CB-CD2 3.63Å; L210-L218 HydrophobicContact CD1-CD2 3.81Å; L210-L218 HydrophobicContact CG-CD2 4.39Å
211	Q	98.1	Very high	98.2	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.093	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-44	175.8	-173.3	-74.6	-39.6	0	0	111.8	S207 L208 H213 G214 T244	S207-Q211 WeakPolarHBondContact O-CB 3.4Å; S207-Q211 PolarHBondContact O-N 3.21Å; L208-Q211 PolarHBondContact O-N 3.26Å; Q211-H213 PolarHBondContact O-N 3.28Å; Q211-G214 WeakPolarHBondContact O-CA 3.45Å; Q211-G214 PolarHBondContact O-N 3.06Å; Q211-T244 HydrophobicContact CB-CG2 4.13Å; Q211-T244 HydrophobicContact CG-CG2 4.46Å; Q211-T244 WeakPolarHBondContact CG-O 3.41Å
212	R	96.6	Very high	98.2	Very high	157 Å²	157	33.1 Å²	33.1	59%	0.592	16%	0.158	S	C	*	.	H	α-helix	trans	-62.4	-27.6	175.8	-76	-172.6	-62	-102.4	1.4	113	L208 A209 L210 G214	L208-R212 WeakPolarHBondContact O-CB 3.29Å; L208-R212 WeakPolarHBondContact O-CG 3.47Å; L208-R212 PolarHBondContact O-N 3.5Å; A209-R212 PolarHBondContact O-N 3.11Å; L210-R212 PolarHBondContact O-N 2.86Å; R212-G214 PolarHBondContact O-N 2.98Å
213	H	97.9	Very high	98.1	Very high	128 Å²	128	30.1 Å²	30.1	59%	0.593	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	12.5	172	-68.4	87.2	0	0	0	113.1	P185 A209 L210 Q211	P185-H213 HydrophobicContact CG-CB 4.08Å; A209-H213 PolarHBondContact O-N 3.36Å; A209-H213 PolarHBondContact O-ND1 3.12Å; L210-H213 CarbonylContact O-C 3.58Å; L210-H213 PolarHBondContact O-N 3.42Å; L210-H213 VanDerWaalsContact O-N 3.12Å; Q211-H213 PolarHBondContact O-N 3.28Å
214	G	97.9	Very high	97.9	Very high	24 Å²	24	27.9 Å²	27.9	25%	0.247	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	24.6	171.3	0	0	0	0	0	114.5	K192 L210 Q211 R212 D216	K192-G214 WeakPolarHBondContact CB-O 3.02Å; K192-G214 WeakPolarHBondContact CD-O 3.33Å; L210-G214 PolarHBondContact O-N 3.18Å; Q211-G214 WeakPolarHBondContact O-CA 3.45Å; Q211-G214 PolarHBondContact O-N 3.06Å; R212-G214 PolarHBondContact O-N 2.98Å; G214-D216 PolarHBondContact O-N 2.89Å
215	A	98.8	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.			trans	-58	137	170.5	0	0	0	0	0	110.7	P185 L210 L218 C246 R301	P185-A215 HydrophobicContact CB-CB 4.13Å; P185-A215 HydrophobicContact CG-CB 3.8Å; L210-A215 HydrophobicContact CB-CB 4.25Å; L210-A215 WeakPolarHBondContact O-CB 3.41Å; L210-A215 PolarHBondContact O-N 3.29Å; L210-A215 VanDerWaalsContact O-N 3.11Å; A215-L218 HydrophobicContact CB-CD2 3.83Å; A215-C246 PolarHBondContact O-SG 2.78Å; A215-R301 PolarHBondContact O-NH2 2.97Å
216	D	98.8	Very high	97.4	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.144	13%	0.126	C	C	.	.	S	Bend	trans	-101.7	-26.2	168.8	-58.1	-53.2	0	0	0	111	K192 G214 C246 F247 L294 R301	K192-D216 PolarHBondContact N-OD2 3.49Å; K192-D216 PolarHBondContact O-N 3.03Å; G214-D216 PolarHBondContact O-N 2.89Å; D216-C246 CarbonylContact O-C 3.38Å; D216-C246 VanDerWaalsContact O-CA 3.28Å; D216-C246 WeakPolarHBondContact O-CA 3.46Å; D216-C246 WeakPolarHBondContact O-CB 3.14Å; D216-F247 PolarHBondContact O-N 2.96Å; D216-L294 HydrophobicContact CB-CD2 3.81Å; D216-R301 IonicContact OD1-NH1 3.49Å; D216-R301 PolarHBondContact OD1-NH1 2.98Å
217	I	98.9	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.3	-179.2	-58	148.7	0	0	0	107.9	I190 K192 V193 G194 F247 L249 V292	I190-I217 HydrophobicContact CB-CD1 4.17Å; I190-I217 HydrophobicContact CD1-CD1 3.53Å; I190-I217 HydrophobicContact CG1-CD1 3.59Å; I190-I217 WeakPolarHBondContact O-CD1 3.32Å; K192-I217 PolarHBondContact O-N 3.39Å; V193-I217 HydrophobicContact CG2-CB 4.26Å; V193-I217 HydrophobicContact CG2-CD1 3.83Å; G194-I217 PolarHBondContact N-O 3.3Å; I217-F247 CarbonylContact C-O 3.54Å; I217-F247 VanDerWaalsContact CA-O 3.3Å; I217-F247 WeakPolarHBondContact CA-O 3.39Å; I217-F247 HydrophobicContact CB-CB 4.44Å; I217-F247 HydrophobicContact CG1-CB 3.99Å; I217-F247 HydrophobicContact CG2-CB 4.39Å; I217-L249 HydrophobicContact CG2-CB 4.34Å; I217-L249 HydrophobicContact CG2-CD1 3.89Å; I217-L249 HydrophobicContact CG2-CG 3.8Å; I217-V292 HydrophobicContact CD1-CG1 4.12Å; I217-V292 HydrophobicContact CG1-CG1 4.35Å
218	L	98.9	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.7	168.9	-60.4	175.1	0	0	0	109.6	L210 A215 Y220 T244 C246 F247 V248 L249	L210-L218 HydrophobicContact CB-CD2 3.63Å; L210-L218 HydrophobicContact CD1-CD2 3.81Å; L210-L218 HydrophobicContact CG-CD2 4.39Å; A215-L218 HydrophobicContact CB-CD2 3.83Å; L218-Y220 HydrophobicContact CB-CE2 3.93Å; L218-T244 HydrophobicContact CD1-CG2 3.78Å; L218-T244 WeakPolarHBondContact CD1-OG1 3.42Å; L218-C246 HydrophobicContact CD1-CB 4.24Å; L218-C246 HydrophobicContact CG-CB 4.01Å; L218-F247 PolarHBondContact N-O 2.8Å; L218-V248 HydrophobicContact CB-CG2 4.36Å; L218-V248 VanDerWaalsContact O-CA 3.31Å; L218-V248 WeakPolarHBondContact O-CA 3.49Å; L218-L249 PolarHBondContact O-N 2.73Å
219	T	98.9	Very high	96.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.6	-179.3	62.8	0	0	0	0	111.3	F77 H140 V193 G194 G196 L249	F77-T219 HydrophobicContact CD1-CG2 3.97Å; F77-T219 HydrophobicContact CE1-CG2 3.58Å; H140-T219 PolarHBondContact CE1-OG1 2.94Å; V193-T219 HydrophobicContact CG1-CG2 3.6Å; G194-T219 PolarHBondContact O-N 3.38Å; G194-T219 VanDerWaalsContact O-N 3.09Å; G194-T219 PolarHBondContact O-OG1 3.4Å; G196-T219 CarbonylContact C-O 3.56Å; G196-T219 WeakPolarHBondContact CA-O 3.49Å; G196-T219 PolarHBondContact N-O 3.08Å; G196-T219 VanDerWaalsContact O-O 3.13Å; T219-L249 WeakPolarHBondContact CA-O 3.48Å
220	Y	98.8	Very high	96.1	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.161	C	C	.	.			trans	-137.6	62.5	170.6	-53.5	-85.4	0	0	0	110.3	L201 L206 S207 L218 S222 W233 L237 R240 V248	L201-Y220 HydrophobicContact CB-CD1 3.72Å; L201-Y220 HydrophobicContact CB-CE1 4.21Å; L201-Y220 HydrophobicContact CB-CG 4.08Å; L201-Y220 HydrophobicContact CD1-CD1 4.04Å; L201-Y220 HydrophobicContact CD1-CD2 3.86Å; L201-Y220 HydrophobicContact CD1-CE1 4.12Å; L201-Y220 HydrophobicContact CD1-CE2 3.96Å; L201-Y220 HydrophobicContact CD1-CG 3.91Å; L201-Y220 HydrophobicContact CG-CD1 4.46Å; L201-Y220 HydrophobicContact CG-CG 4.46Å; L206-Y220 HydrophobicContact CD2-CE1 4.49Å; S207-Y220 WeakPolarHBondContact CB-OH 3.43Å; S207-Y220 PolarHBondContact OG-OH 2.85Å; L218-Y220 HydrophobicContact CB-CE2 3.93Å; Y220-S222 WeakPolarHBondContact O-CB 3.22Å; Y220-S222 PolarHBondContact O-N 3.42Å; Y220-S222 PolarHBondContact O-OG 2.9Å; Y220-W233 WeakPolarHBondContact O-CH2 3.36Å; Y220-L237 HydrophobicContact CD2-CD2 3.74Å; Y220-L237 HydrophobicContact CG-CD2 4.25Å; Y220-R240 HydrophobicContact CE2-CB 4.16Å; Y220-R240 HydrophobicContact CE2-CG 4.07Å; Y220-V248 HydrophobicContact CD2-CG1 3.77Å; Y220-V248 HydrophobicContact CE2-CG1 3.97Å
221	P	98.9	Very high	95.9	Very high	2 Å²	2	31 Å²	31	1%	0.013	18%	0.182	C	C	.	.			trans	-49.9	135.4	168.6	24.2	-37.4	0	0	0	111.2	G121 G196 I197 C198 A251	G121-P221 VanDerWaalsContact O-CB 3.32Å; G121-P221 WeakPolarHBondContact O-CB 3.26Å; G121-P221 WeakPolarHBondContact O-CG 3.25Å; G196-P221 VanDerWaalsContact O-CD 3.29Å; G196-P221 WeakPolarHBondContact O-CD 3.36Å; I197-P221 HydrophobicContact CG1-CG 4.46Å; C198-P221 PolarHBondContact N-O 2.85Å; P221-A251 CarbonylContact C-O 3.46Å; P221-A251 VanDerWaalsContact CA-O 3.23Å; P221-A251 WeakPolarHBondContact CA-O 3.36Å
222	S	98.4	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-153	148	-160.2	-71.9	0	0	0	0	116.2	C198 Y220 W233 A251 A252 Q253	C198-S222 WeakPolarHBondContact CA-OG 3.47Å; Y220-S222 WeakPolarHBondContact O-CB 3.22Å; Y220-S222 PolarHBondContact O-N 3.42Å; Y220-S222 PolarHBondContact O-OG 2.9Å; S222-W233 WeakPolarHBondContact OG-CH2 3.33Å; S222-W233 WeakPolarHBondContact OG-CZ3 3.28Å; S222-A251 PolarHBondContact N-O 2.88Å; S222-A252 CarbonylContact O-C 3.57Å; S222-A252 WeakPolarHBondContact O-CA 3.46Å; S222-Q253 PolarHBondContact O-N 2.96Å
223	A	96.4	Very high	95.9	Very high	7 Å²	7	26.3 Å²	26.3	6%	0.058	17%	0.167	C	C	.	.			trans	-117.3	55.1	164.8	0	0	0	0	0	112.2	E80 Q253 R261	E80-A223 PolarHBondContact OE2-N 2.86Å; A223-Q253 HydrophobicContact CB-CB 4.06Å; A223-Q253 HydrophobicContact CB-CG 3.73Å; A223-R261 PolarHBondContact O-NH2 2.95Å
224	F	94.1	Very high	96	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.057	16%	0.157	C	C	.	.			trans	-60	135.5	-176.1	-98.9	-125.5	0	0	0	112.3	C198 L201 W233 S263 Y264	C198-F224 HydrophobicContact CB-CE2 4.42Å; C198-F224 VanDerWaalsContact SG-CD2 3.52Å; C198-F224 VanDerWaalsContact SG-CE2 3.55Å; L201-F224 HydrophobicContact CD2-CZ 3.93Å; F224-W233 HydrophobicContact CB-CE3 4.47Å; F224-W233 HydrophobicContact CD1-CB 4.38Å; F224-W233 HydrophobicContact CD1-CD2 4.41Å; F224-W233 AromaticContact CD1-CE3 3.66Å; F224-W233 HydrophobicContact CD1-CE3 3.66Å; F224-W233 HydrophobicContact CD1-CZ3 4.37Å; F224-W233 AromaticContact CD2-CE3 3.71Å; F224-W233 HydrophobicContact CD2-CE3 3.71Å; F224-W233 AromaticContact CD2-CZ3 3.57Å; F224-W233 HydrophobicContact CD2-CZ3 3.57Å; F224-W233 AromaticContact CE1-CE3 3.65Å; F224-W233 HydrophobicContact CE1-CE3 3.65Å; F224-W233 HydrophobicContact CE1-CZ3 4.28Å; F224-W233 AromaticContact CE2-CE3 3.69Å; F224-W233 HydrophobicContact CE2-CE3 3.69Å; F224-W233 AromaticContact CE2-CZ3 3.45Å; F224-W233 HydrophobicContact CE2-CZ3 3.45Å; F224-W233 VanDerWaalsContact CE2-CZ3 3.45Å; F224-W233 HydrophobicContact CG-CD2 4.46Å; F224-W233 AromaticContact CG-CE3 3.68Å; F224-W233 HydrophobicContact CG-CE3 3.68Å; F224-W233 HydrophobicContact CG-CZ3 4.02Å; F224-W233 AromaticContact CZ-CE3 3.66Å; F224-W233 HydrophobicContact CZ-CE3 3.66Å; F224-W233 AromaticContact CZ-CZ3 3.83Å; F224-W233 HydrophobicContact CZ-CZ3 3.83Å; F224-S263 CarbonylContact O-C 3.48Å; F224-S263 WeakPolarHBondContact O-CA 3.34Å; F224-Y264 PolarHBondContact O-N 2.84Å
225	T	91.7	Very high	96	Very high	15 Å²	15	27.8 Å²	27.8	9%	0.092	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-66.7	148.3	174.4	66.6	0	0	0	0	110.6	L170 A227 T228 G229	L170-T225 HydrophobicContact CD1-CG2 4.01Å; T225-A227 VanDerWaalsContact C-N 3.32Å; T225-A227 PolarHBondContact O-N 2.78Å; T225-T228 PolarHBondContact O-N 3.1Å; T225-T228 PolarHBondContact O-OG1 2.7Å; T225-T228 PolarHBondContact OG1-OG1 3.49Å; T225-G229 PolarHBondContact O-N 3.18Å
226	V	91.3	Very high	96	Very high	75 Å²	75	29.3 Å²	29.3	46%	0.455	18%	0.182	S	C	.	.	H	α-helix	trans	-54.3	-46.7	-177.2	178.8	0	0	0	0	112.4	G229 A230	V226-G229 PolarHBondContact O-N 3.13Å; V226-A230 WeakPolarHBondContact O-CB 3.13Å; V226-A230 PolarHBondContact O-N 3.24Å
227	A	89.6	Confident	96	Very high	47 Å²	47	28 Å²	28	39%	0.388	18%	0.175	S	C	.	.	H	α-helix	trans	-66.6	-40.5	-176.7	0	0	0	0	0	113.2	T225	T225-A227 VanDerWaalsContact C-N 3.32Å; T225-A227 PolarHBondContact O-N 2.78Å
228	T	89.6	Confident	96	Very high	15 Å²	15	32.6 Å²	32.6	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-81.1	-31.2	179.2	62.9	0	0	0	0	112	T225 A231 H232	T225-T228 PolarHBondContact O-N 3.1Å; T225-T228 PolarHBondContact O-OG1 2.7Å; T225-T228 PolarHBondContact OG1-OG1 3.49Å; T228-A231 PolarHBondContact O-N 2.87Å; T228-H232 WeakPolarHBondContact O-CB 3.37Å; T228-H232 PolarHBondContact O-N 2.88Å; T228-H232 PolarHBondContact O-ND1 3.47Å
229	G	92.5	Very high	96	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-47.3	175	0	0	0	0	0	111.8	T225 V226 A231 H232 W233 Y264	T225-G229 PolarHBondContact O-N 3.18Å; V226-G229 PolarHBondContact O-N 3.13Å; G229-A231 PolarHBondContact O-N 3.37Å; G229-A231 VanDerWaalsContact O-N 3.16Å; G229-H232 PolarHBondContact O-N 3.35Å; G229-W233 WeakPolarHBondContact O-CB 3.3Å; G229-W233 PolarHBondContact O-N 3.44Å; G229-Y264 VanDerWaalsContact C-CE1 3.42Å; G229-Y264 WeakPolarHBondContact O-CE1 3.18Å
230	A	93.5	Very high	96	Very high	62 Å²	62	34.9 Å²	34.9	51%	0.512	21%	0.208	S	C	.	.	H	α-helix	trans	-57.1	-31.7	177.5	0	0	0	0	0	113.8	V226 Y264	V226-A230 WeakPolarHBondContact O-CB 3.13Å; V226-A230 PolarHBondContact O-N 3.24Å; A230-Y264 VanDerWaalsContact CA-CE2 3.46Å; A230-Y264 HydrophobicContact CB-CD2 4.42Å; A230-Y264 HydrophobicContact CB-CE2 3.79Å
231	A	94.3	Very high	96	Very high	57 Å²	57	34.9 Å²	34.9	47%	0.471	21%	0.208	S	C	.	.	H	α-helix	trans	-93.3	-34.8	-177.5	0	0	0	0	0	113.7	T228 G229	T228-A231 PolarHBondContact O-N 2.87Å; G229-A231 PolarHBondContact O-N 3.37Å; G229-A231 VanDerWaalsContact O-N 3.16Å
232	H	97.3	Very high	96	Very high	75 Å²	75	38.8 Å²	38.8	35%	0.347	23%	0.228	S	C	.	.	H	α-helix	trans	-125	-22.1	-162.6	-53.6	136.8	0	0	0	115.1	T228 G229 V235 L236	T228-H232 WeakPolarHBondContact O-CB 3.37Å; T228-H232 PolarHBondContact O-N 2.88Å; T228-H232 PolarHBondContact O-ND1 3.47Å; G229-H232 PolarHBondContact O-N 3.35Å; H232-V235 PolarHBondContact O-N 3.34Å; H232-L236 HydrophobicContact CB-CD1 3.85Å; H232-L236 HydrophobicContact CB-CG 4.23Å; H232-L236 WeakPolarHBondContact O-CB 3.47Å; H232-L236 VanDerWaalsContact O-CG 3.26Å; H232-L236 WeakPolarHBondContact O-CG 3.4Å; H232-L236 PolarHBondContact O-N 3.43Å
233	W	98.1	Very high	96	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-61.9	-165.8	179.2	-118.3	0	0	0	112.7	L201 Y220 S222 F224 G229 V235 L236 L237 A250 A252 Y264 H266	L201-W233 HydrophobicContact CD2-CE3 3.87Å; L201-W233 HydrophobicContact CD2-CZ3 3.78Å; Y220-W233 WeakPolarHBondContact O-CH2 3.36Å; S222-W233 WeakPolarHBondContact OG-CH2 3.33Å; S222-W233 WeakPolarHBondContact OG-CZ3 3.28Å; F224-W233 HydrophobicContact CB-CE3 4.47Å; F224-W233 HydrophobicContact CD1-CB 4.38Å; F224-W233 HydrophobicContact CD1-CD2 4.41Å; F224-W233 AromaticContact CD1-CE3 3.66Å; F224-W233 HydrophobicContact CD1-CE3 3.66Å; F224-W233 HydrophobicContact CD1-CZ3 4.37Å; F224-W233 AromaticContact CD2-CE3 3.71Å; F224-W233 HydrophobicContact CD2-CE3 3.71Å; F224-W233 AromaticContact CD2-CZ3 3.57Å; F224-W233 HydrophobicContact CD2-CZ3 3.57Å; F224-W233 AromaticContact CE1-CE3 3.65Å; F224-W233 HydrophobicContact CE1-CE3 3.65Å; F224-W233 HydrophobicContact CE1-CZ3 4.28Å; F224-W233 AromaticContact CE2-CE3 3.69Å; F224-W233 HydrophobicContact CE2-CE3 3.69Å; F224-W233 AromaticContact CE2-CZ3 3.45Å; F224-W233 HydrophobicContact CE2-CZ3 3.45Å; F224-W233 VanDerWaalsContact CE2-CZ3 3.45Å; F224-W233 HydrophobicContact CG-CD2 4.46Å; F224-W233 AromaticContact CG-CE3 3.68Å; F224-W233 HydrophobicContact CG-CE3 3.68Å; F224-W233 HydrophobicContact CG-CZ3 4.02Å; F224-W233 AromaticContact CZ-CE3 3.66Å; F224-W233 HydrophobicContact CZ-CE3 3.66Å; F224-W233 AromaticContact CZ-CZ3 3.83Å; F224-W233 HydrophobicContact CZ-CZ3 3.83Å; G229-W233 WeakPolarHBondContact O-CB 3.3Å; G229-W233 PolarHBondContact O-N 3.44Å; W233-V235 PolarHBondContact O-N 3.36Å; W233-L236 PolarHBondContact O-N 2.96Å; W233-L237 HydrophobicContact CD2-CD1 3.77Å; W233-L237 HydrophobicContact CD2-CG 4.38Å; W233-L237 VanDerWaalsContact CE2-CD1 3.42Å; W233-L237 HydrophobicContact CE3-CD1 4.2Å; W233-L237 HydrophobicContact CE3-CG 4.41Å; W233-L237 HydrophobicContact CG-CD1 4.28Å; W233-L237 HydrophobicContact CH2-CD1 4.04Å; W233-L237 HydrophobicContact CH2-CD2 4.31Å; W233-L237 HydrophobicContact CZ2-CD1 3.61Å; W233-L237 HydrophobicContact CZ3-CD1 4.32Å; W233-L237 HydrophobicContact CZ3-CD2 4.37Å; W233-L237 HydrophobicContact CZ3-CG 4.48Å; W233-L237 VanDerWaalsContact O-CG 3.28Å; W233-L237 WeakPolarHBondContact O-CG 3.25Å; W233-L237 PolarHBondContact O-N 3.07Å; W233-L237 VanDerWaalsContact O-N 3.13Å; W233-A250 HydrophobicContact CH2-CB 3.78Å; W233-A250 HydrophobicContact CZ2-CB 3.67Å; W233-A252 HydrophobicContact CZ2-CB 4.27Å; W233-Y264 HydrophobicContact CB-CD1 4.04Å; W233-Y264 HydrophobicContact CB-CE1 4.01Å; W233-Y264 HydrophobicContact CG-CD1 4.16Å; W233-Y264 HydrophobicContact CG-CE1 4.32Å; W233-H266 PolarHBondContact NE1-O 3.21Å
234	E	98.6	Very high	96.1	Very high	85 Å²	85	41 Å²	41	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-46.2	-179.6	-171	-160.5	130.9	0	0	111.5	L236 L237 R238 L268 V276	E234-L236 PolarHBondContact O-N 3.08Å; E234-L237 PolarHBondContact O-N 3.11Å; E234-R238 HydrophobicContact CG-CG 4.26Å; E234-R238 WeakPolarHBondContact O-CB 3.3Å; E234-R238 VanDerWaalsContact O-CG 3.3Å; E234-R238 WeakPolarHBondContact O-CG 3.45Å; E234-R238 PolarHBondContact O-N 2.79Å; E234-R238 VanDerWaalsContact OE1-CD 3.31Å; E234-R238 WeakPolarHBondContact OE1-CD 3.24Å; E234-R238 IonicContact OE1-NH1 3.44Å; E234-R238 PolarHBondContact OE1-NH1 3.23Å; E234-R238 VanDerWaalsContact OE1-NH1 3.16Å; E234-L268 HydrophobicContact CB-CD2 4.43Å; E234-L268 HydrophobicContact CG-CD2 4.06Å; E234-V276 HydrophobicContact CG-CG2 4.22Å
235	V	98.6	Very high	96.3	Very high	98 Å²	98	40.6 Å²	40.6	59%	0.594	24%	0.236	S	C	*	.	H	α-helix	trans	-58.6	-46.8	-176.3	176.7	0	0	0	0	111.1	H232 W233 A239	H232-V235 PolarHBondContact O-N 3.34Å; W233-V235 PolarHBondContact O-N 3.36Å; V235-A239 WeakPolarHBondContact O-CB 3.41Å; V235-A239 PolarHBondContact O-N 3.29Å
236	L	98.8	Very high	96.7	Very high	33 Å²	33	39.9 Å²	39.9	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-69	-43.2	180	-69	176.5	0	0	0	111.8	L201 R202 H232 W233 E234 R238 A239 R240	L201-L236 HydrophobicContact CD1-CB 4.04Å; L201-L236 HydrophobicContact CD2-CB 3.79Å; L201-L236 HydrophobicContact CD2-CD1 4.38Å; L201-L236 HydrophobicContact CG-CB 3.71Å; L201-L236 HydrophobicContact CG-CD1 4.25Å; R202-L236 HydrophobicContact CG-CD1 4.07Å; H232-L236 HydrophobicContact CB-CD1 3.85Å; H232-L236 HydrophobicContact CB-CG 4.23Å; H232-L236 WeakPolarHBondContact O-CB 3.47Å; H232-L236 VanDerWaalsContact O-CG 3.26Å; H232-L236 WeakPolarHBondContact O-CG 3.4Å; H232-L236 PolarHBondContact O-N 3.43Å; W233-L236 PolarHBondContact O-N 2.96Å; E234-L236 PolarHBondContact O-N 3.08Å; L236-R238 VanDerWaalsContact C-N 3.32Å; L236-R238 PolarHBondContact O-N 2.99Å; L236-A239 WeakPolarHBondContact O-CB 3.38Å; L236-A239 PolarHBondContact O-N 3.16Å; L236-R240 WeakPolarHBondContact O-CG 3.47Å; L236-R240 PolarHBondContact O-N 3.03Å
237	L	98.9	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-43.7	177.9	-69.7	175.1	0	0	0	111.5	L201 Y220 W233 E234 R240 A241 V248 A250 L268 V270	L201-L237 HydrophobicContact CD1-CD2 3.82Å; L201-L237 HydrophobicContact CD1-CG 4.45Å; L201-L237 HydrophobicContact CD2-CD2 3.68Å; L201-L237 HydrophobicContact CD2-CG 3.9Å; L201-L237 HydrophobicContact CG-CD2 4.41Å; Y220-L237 HydrophobicContact CD2-CD2 3.74Å; Y220-L237 HydrophobicContact CG-CD2 4.25Å; W233-L237 HydrophobicContact CD2-CD1 3.77Å; W233-L237 HydrophobicContact CD2-CG 4.38Å; W233-L237 VanDerWaalsContact CE2-CD1 3.42Å; W233-L237 HydrophobicContact CE3-CD1 4.2Å; W233-L237 HydrophobicContact CE3-CG 4.41Å; W233-L237 HydrophobicContact CG-CD1 4.28Å; W233-L237 HydrophobicContact CH2-CD1 4.04Å; W233-L237 HydrophobicContact CH2-CD2 4.31Å; W233-L237 HydrophobicContact CZ2-CD1 3.61Å; W233-L237 HydrophobicContact CZ3-CD1 4.32Å; W233-L237 HydrophobicContact CZ3-CD2 4.37Å; W233-L237 HydrophobicContact CZ3-CG 4.48Å; W233-L237 VanDerWaalsContact O-CG 3.28Å; W233-L237 WeakPolarHBondContact O-CG 3.25Å; W233-L237 PolarHBondContact O-N 3.07Å; W233-L237 VanDerWaalsContact O-N 3.13Å; E234-L237 PolarHBondContact O-N 3.11Å; L237-R240 PolarHBondContact O-N 3.05Å; L237-A241 PolarHBondContact O-N 2.83Å; L237-V248 HydrophobicContact CB-CG1 4.26Å; L237-V248 HydrophobicContact CD2-CG1 3.59Å; L237-V248 HydrophobicContact CG-CG1 4.47Å; L237-A250 HydrophobicContact CD1-CB 3.74Å; L237-A250 HydrophobicContact CD2-CB 3.65Å; L237-A250 HydrophobicContact CG-CB 4.39Å; L237-L268 HydrophobicContact CB-CD2 4.3Å; L237-L268 HydrophobicContact CD1-CB 3.86Å; L237-L268 HydrophobicContact CD1-CD2 3.63Å; L237-L268 HydrophobicContact CD1-CG 4.38Å; L237-V270 HydrophobicContact CB-CG2 4.27Å
238	R	98.9	Very high	97.5	Very high	95 Å²	95	34.4 Å²	34.4	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-41.5	175.5	-68.1	177.7	67	-160	-6.2	112	E234 L236 R240 A241 I242 V270 G274 V276	E234-R238 HydrophobicContact CG-CG 4.26Å; E234-R238 WeakPolarHBondContact O-CB 3.3Å; E234-R238 VanDerWaalsContact O-CG 3.3Å; E234-R238 WeakPolarHBondContact O-CG 3.45Å; E234-R238 PolarHBondContact O-N 2.79Å; E234-R238 VanDerWaalsContact OE1-CD 3.31Å; E234-R238 WeakPolarHBondContact OE1-CD 3.24Å; E234-R238 IonicContact OE1-NH1 3.44Å; E234-R238 PolarHBondContact OE1-NH1 3.23Å; E234-R238 VanDerWaalsContact OE1-NH1 3.16Å; L236-R238 VanDerWaalsContact C-N 3.32Å; L236-R238 PolarHBondContact O-N 2.99Å; R238-R240 VanDerWaalsContact C-N 3.33Å; R238-R240 PolarHBondContact O-N 3.27Å; R238-A241 PolarHBondContact O-N 3.19Å; R238-I242 WeakPolarHBondContact O-CB 3.5Å; R238-I242 WeakPolarHBondContact O-CD1 3.39Å; R238-I242 WeakPolarHBondContact O-CG1 3.27Å; R238-I242 PolarHBondContact O-N 3.23Å; R238-V270 HydrophobicContact CB-CG1 4.46Å; R238-V270 HydrophobicContact CG-CG1 3.88Å; R238-V270 HydrophobicContact CG-CG2 4.05Å; R238-G274 PolarHBondContact NE-O 3.45Å; R238-G274 PolarHBondContact NH2-O 3.18Å; R238-V276 HydrophobicContact CG-CG2 4.26Å
239	A	98.9	Very high	97.9	Very high	35 Å²	35	33.7 Å²	33.7	29%	0.289	19%	0.188	S	C	.	.	H	α-helix	trans	-57.7	-45.3	174.6	0	0	0	0	0	111.5	V235 L236 A241 I242 E243	V235-A239 WeakPolarHBondContact O-CB 3.41Å; V235-A239 PolarHBondContact O-N 3.29Å; L236-A239 WeakPolarHBondContact O-CB 3.38Å; L236-A239 PolarHBondContact O-N 3.16Å; A239-A241 PolarHBondContact O-N 2.76Å; A239-I242 PolarHBondContact O-N 3.22Å; A239-E243 WeakPolarHBondContact O-CB 3.35Å; A239-E243 WeakPolarHBondContact O-CG 3.31Å; A239-E243 PolarHBondContact O-N 3Å
240	R	98.9	Very high	98.2	Very high	15 Å²	15	33.6 Å²	33.6	6%	0.057	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-44.3	175.7	-61.3	-44.3	168.3	-126	-6.5	112.2	L201 R202 S207 Y220 L236 L237 R238 I242 E243 T244 V248	L201-R240 HydrophobicContact CD1-CB 4.49Å; L201-R240 HydrophobicContact CD1-CG 3.44Å; L201-R240 VanDerWaalsContact CD1-CG 3.44Å; L201-R240 PolarHBondContact O-NE 3.16Å; L201-R240 PolarHBondContact O-NH2 3.16Å; R202-R240 PolarHBondContact O-NH2 2.8Å; S207-R240 WeakPolarHBondContact OG-CD 3.11Å; Y220-R240 HydrophobicContact CE2-CB 4.16Å; Y220-R240 HydrophobicContact CE2-CG 4.07Å; L236-R240 WeakPolarHBondContact O-CG 3.47Å; L236-R240 PolarHBondContact O-N 3.03Å; L237-R240 PolarHBondContact O-N 3.05Å; R238-R240 VanDerWaalsContact C-N 3.33Å; R238-R240 PolarHBondContact O-N 3.27Å; R240-I242 PolarHBondContact O-N 2.7Å; R240-E243 WeakPolarHBondContact CD-OE1 3.32Å; R240-E243 IonicContact CZ-OE1 3.55Å; R240-E243 IonicContact NE-OE1 3.32Å; R240-E243 IonicContact NH1-OE1 3.16Å; R240-E243 PolarHBondContact NH1-OE1 3.29Å; R240-E243 IonicContact NH1-OE2 2.91Å; R240-T244 WeakPolarHBondContact O-CB 3.39Å; R240-T244 WeakPolarHBondContact O-CG2 3.28Å; R240-T244 PolarHBondContact O-N 2.85Å; R240-T244 PolarHBondContact O-OG1 2.88Å; R240-V248 HydrophobicContact CB-CG2 4.14Å
241	A	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-47.4	178.5	0	0	0	0	0	111.6	L237 R238 A239 Q245 C246 V248 V270 D271	L237-A241 PolarHBondContact O-N 2.83Å; R238-A241 PolarHBondContact O-N 3.19Å; A239-A241 PolarHBondContact O-N 2.76Å; A241-Q245 WeakPolarHBondContact O-CA 3.38Å; A241-Q245 PolarHBondContact O-N 2.81Å; A241-C246 WeakPolarHBondContact CA-O 3.28Å; A241-C246 PolarHBondContact O-N 3.01Å; A241-V248 HydrophobicContact CB-CB 4.31Å; A241-V248 HydrophobicContact CB-CG2 3.62Å; A241-V270 HydrophobicContact CB-CB 4.03Å; A241-V270 HydrophobicContact CB-CG1 3.64Å; A241-D271 VanDerWaalsContact CB-O 3.32Å; A241-D271 WeakPolarHBondContact CB-O 3.46Å
242	I	98.8	Very high	98.7	Very high	85 Å²	85	28.1 Å²	28.1	44%	0.436	14%	0.142	S	C	.	.	H	α-helix	trans	-65.9	-50.7	-178.1	-65.1	161.4	0	0	0	111.5	R238 A239 R240 T244 Q245	R238-I242 WeakPolarHBondContact O-CB 3.5Å; R238-I242 WeakPolarHBondContact O-CD1 3.39Å; R238-I242 WeakPolarHBondContact O-CG1 3.27Å; R238-I242 PolarHBondContact O-N 3.23Å; A239-I242 PolarHBondContact O-N 3.22Å; R240-I242 PolarHBondContact O-N 2.7Å; I242-T244 VanDerWaalsContact C-N 3.31Å; I242-T244 PolarHBondContact O-N 2.96Å; I242-Q245 PolarHBondContact O-N 3.35Å
243	E	98.3	Very high	98.8	Very high	53 Å²	53	24.6 Å²	24.6	25%	0.248	13%	0.126	C	C	.	.	H	α-helix	trans	-73.6	-25	-171.9	78.9	-171.7	166	0	0	113.3	L208 A239 R240 Q307	L208-E243 HydrophobicContact CD2-CG 4.41Å; A239-E243 WeakPolarHBondContact O-CB 3.35Å; A239-E243 WeakPolarHBondContact O-CG 3.31Å; A239-E243 PolarHBondContact O-N 3Å; R240-E243 WeakPolarHBondContact CD-OE1 3.32Å; R240-E243 IonicContact CZ-OE1 3.55Å; R240-E243 IonicContact NE-OE1 3.32Å; R240-E243 IonicContact NH1-OE1 3.16Å; R240-E243 PolarHBondContact NH1-OE1 3.29Å; R240-E243 IonicContact NH1-OE2 2.91Å; E243-Q307 PolarHBondContact O-NE2 2.73Å
244	T	98.7	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-99.5	-15.3	178	67.5	0	0	0	0	112.9	L208 Q211 L218 R240 I242 C246	L208-T244 HydrophobicContact CD2-CG2 4.24Å; Q211-T244 HydrophobicContact CB-CG2 4.13Å; Q211-T244 HydrophobicContact CG-CG2 4.46Å; Q211-T244 WeakPolarHBondContact CG-O 3.41Å; L218-T244 HydrophobicContact CD1-CG2 3.78Å; L218-T244 WeakPolarHBondContact CD1-OG1 3.42Å; R240-T244 WeakPolarHBondContact O-CB 3.39Å; R240-T244 WeakPolarHBondContact O-CG2 3.28Å; R240-T244 PolarHBondContact O-N 2.85Å; R240-T244 PolarHBondContact O-OG1 2.88Å; I242-T244 VanDerWaalsContact C-N 3.31Å; I242-T244 PolarHBondContact O-N 2.96Å; T244-C246 PolarHBondContact O-N 2.85Å; T244-C246 PolarHBondContact O-SG 3.07Å; T244-C246 WeakPolarHBondContact OG1-CB 3.4Å
245	Q	98.8	Very high	98.7	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.023	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	46.9	-173	-51.9	179.2	-70.1	0	0	110.9	A241 I242 T300 R301 M304 V306	A241-Q245 WeakPolarHBondContact O-CA 3.38Å; A241-Q245 PolarHBondContact O-N 2.81Å; I242-Q245 PolarHBondContact O-N 3.35Å; Q245-T300 HydrophobicContact CB-CG2 4.19Å; Q245-T300 HydrophobicContact CG-CG2 4.22Å; Q245-T300 PolarHBondContact NE2-O 2.86Å; Q245-T300 VanDerWaalsContact NE2-O 3.14Å; Q245-R301 HydrophobicContact CB-CG 3.83Å; Q245-R301 PolarHBondContact O-NE 3.33Å; Q245-R301 PolarHBondContact O-NH2 3.23Å; Q245-M304 PolarHBondContact NE2-O 3.12Å; Q245-M304 PolarHBondContact OE1-O 3.49Å; Q245-V306 HydrophobicContact CG-CG2 4.1Å
246	C	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.			trans	-119.8	154.4	177.1	-63.7	0	0	0	0	109.1	A215 D216 L218 A241 T244 P272 R301	A215-C246 PolarHBondContact O-SG 2.78Å; D216-C246 CarbonylContact O-C 3.38Å; D216-C246 VanDerWaalsContact O-CA 3.28Å; D216-C246 WeakPolarHBondContact O-CA 3.46Å; D216-C246 WeakPolarHBondContact O-CB 3.14Å; L218-C246 HydrophobicContact CD1-CB 4.24Å; L218-C246 HydrophobicContact CG-CB 4.01Å; A241-C246 WeakPolarHBondContact CA-O 3.28Å; A241-C246 PolarHBondContact O-N 3.01Å; T244-C246 PolarHBondContact O-N 2.85Å; T244-C246 PolarHBondContact O-SG 3.07Å; T244-C246 WeakPolarHBondContact OG1-CB 3.4Å; C246-P272 WeakPolarHBondContact O-CA 3.43Å; C246-R301 PolarHBondContact SG-NH2 2.87Å; C246-R301 VanDerWaalsContact SG-NH2 3.4Å
247	F	98.9	Very high	98.5	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.026	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	148.8	158.8	-79.5	-87.3	0	0	0	109.2	D216 I217 L218 V270 D271 P272 V292 V297	D216-F247 PolarHBondContact O-N 2.96Å; I217-F247 CarbonylContact C-O 3.54Å; I217-F247 VanDerWaalsContact CA-O 3.3Å; I217-F247 WeakPolarHBondContact CA-O 3.39Å; I217-F247 HydrophobicContact CB-CB 4.44Å; I217-F247 HydrophobicContact CG1-CB 3.99Å; I217-F247 HydrophobicContact CG2-CB 4.39Å; L218-F247 PolarHBondContact N-O 2.8Å; F247-V270 CarbonylContact C-O 3.58Å; F247-V270 WeakPolarHBondContact CA-O 3.08Å; F247-D271 HydrophobicContact CD1-CB 4.15Å; F247-D271 HydrophobicContact CE1-CB 3.74Å; F247-D271 HydrophobicContact CZ-CB 4.42Å; F247-P272 HydrophobicContact CD2-CG 3.77Å; F247-P272 HydrophobicContact CE2-CG 3.83Å; F247-P272 HydrophobicContact CG-CG 4.25Å; F247-P272 HydrophobicContact CZ-CG 4.35Å; F247-V292 HydrophobicContact CD2-CG1 4.06Å; F247-V292 HydrophobicContact CE2-CG1 4.12Å; F247-V297 HydrophobicContact CD2-CG2 3.71Å; F247-V297 HydrophobicContact CE2-CG2 3.77Å
248	V	98.9	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.6	169.6	176.7	0	0	0	0	108.5	L218 Y220 L237 R240 A241 A269 V270	L218-V248 HydrophobicContact CB-CG2 4.36Å; L218-V248 VanDerWaalsContact O-CA 3.31Å; L218-V248 WeakPolarHBondContact O-CA 3.49Å; Y220-V248 HydrophobicContact CD2-CG1 3.77Å; Y220-V248 HydrophobicContact CE2-CG1 3.97Å; L237-V248 HydrophobicContact CB-CG1 4.26Å; L237-V248 HydrophobicContact CD2-CG1 3.59Å; L237-V248 HydrophobicContact CG-CG1 4.47Å; R240-V248 HydrophobicContact CB-CG2 4.14Å; A241-V248 HydrophobicContact CB-CB 4.31Å; A241-V248 HydrophobicContact CB-CG2 3.62Å; V248-A269 CarbonylContact O-C 3.59Å; V248-A269 WeakPolarHBondContact O-CA 3.44Å; V248-V270 HydrophobicContact CB-CB 4.27Å; V248-V270 PolarHBondContact N-O 2.81Å; V248-V270 PolarHBondContact O-N 3.14Å
249	L	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108.3	177.8	-56.1	-175.1	0	0	0	108.9	A43 V45 F77 I190 I217 L218 T219 A269 V290	A43-L249 HydrophobicContact CB-CD1 4Å; V45-L249 HydrophobicContact CG2-CB 3.93Å; V45-L249 HydrophobicContact CG2-CD1 4.47Å; V45-L249 HydrophobicContact CG2-CD2 3.97Å; V45-L249 HydrophobicContact CG2-CG 4.33Å; F77-L249 HydrophobicContact CD2-CD1 4.21Å; F77-L249 HydrophobicContact CE1-CD1 4.4Å; F77-L249 HydrophobicContact CE2-CD1 3.62Å; F77-L249 HydrophobicContact CZ-CD1 3.74Å; I190-L249 HydrophobicContact CD1-CD1 4.19Å; I217-L249 HydrophobicContact CG2-CB 4.34Å; I217-L249 HydrophobicContact CG2-CD1 3.89Å; I217-L249 HydrophobicContact CG2-CG 3.8Å; L218-L249 PolarHBondContact O-N 2.73Å; T219-L249 WeakPolarHBondContact CA-O 3.48Å; L249-A269 HydrophobicContact CD2-CB 3.83Å; L249-V290 HydrophobicContact CD2-CB 4.45Å; L249-V290 HydrophobicContact CD2-CG1 4.2Å; L249-V290 HydrophobicContact CD2-CG2 4.28Å
250	A	98.8	Very high	97.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	92	-171.5	0	0	0	0	0	110.9	W233 L237 A267 L268	W233-A250 HydrophobicContact CH2-CB 3.78Å; W233-A250 HydrophobicContact CZ2-CB 3.67Å; L237-A250 HydrophobicContact CD1-CB 3.74Å; L237-A250 HydrophobicContact CD2-CB 3.65Å; L237-A250 HydrophobicContact CG-CB 4.39Å; A250-A267 CarbonylContact O-C 3.59Å; A250-A267 VanDerWaalsContact O-CA 3.27Å; A250-A267 WeakPolarHBondContact O-CA 3.47Å; A250-L268 PolarHBondContact N-O 3.03Å; A250-L268 PolarHBondContact O-N 3.03Å
251	A	98.9	Very high	97.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	17%	0.172	C	C	.	.			trans	-64.3	140.1	171	0	0	0	0	0	110.2	V45 C46 F77 L78 P79 P221 S222	V45-A251 HydrophobicContact CG1-CB 4.15Å; C46-A251 VanDerWaalsContact O-CA 3.32Å; C46-A251 WeakPolarHBondContact O-CA 3.3Å; C46-A251 WeakPolarHBondContact O-CB 3.26Å; F77-A251 HydrophobicContact CB-CB 4.11Å; F77-A251 WeakPolarHBondContact O-CB 3.27Å; L78-A251 VanDerWaalsContact C-CB 3.49Å; P79-A251 HydrophobicContact CB-CB 4.16Å; P221-A251 CarbonylContact C-O 3.46Å; P221-A251 VanDerWaalsContact CA-O 3.23Å; P221-A251 WeakPolarHBondContact CA-O 3.36Å; S222-A251 PolarHBondContact N-O 2.88Å
252	A	98.8	Very high	96.9	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.6	-173.3	0	0	0	0	0	113.5	C46 Q47 V48 P79 S222 W233 G265 A267	C46-A252 PolarHBondContact O-N 2.58Å; Q47-A252 WeakPolarHBondContact CA-O 3.4Å; V48-A252 PolarHBondContact N-O 2.85Å; V48-A252 VanDerWaalsContact N-O 3.15Å; P79-A252 VanDerWaalsContact CB-C 3.44Å; S222-A252 CarbonylContact O-C 3.57Å; S222-A252 WeakPolarHBondContact O-CA 3.46Å; W233-A252 HydrophobicContact CZ2-CB 4.27Å; A252-G265 WeakPolarHBondContact CB-O 3.38Å; A252-A267 HydrophobicContact CB-CB 3.93Å
253	Q	98.8	Very high	96.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	147.8	160	-66.6	-72.2	-13.5	0	0	110.2	V48 P79 E80 G81 I85 S222 A223 H257 S263 G265	V48-Q253 CarbonylContact O-C 3.55Å; V48-Q253 VanDerWaalsContact O-CA 3.24Å; V48-Q253 WeakPolarHBondContact O-CA 3.35Å; V48-Q253 PolarHBondContact O-OE1 2.92Å; V48-Q253 VanDerWaalsContact O-OE1 3.09Å; P79-Q253 HydrophobicContact CB-CG 4.22Å; P79-Q253 HydrophobicContact CG-CG 4.32Å; E80-Q253 VanDerWaalsContact O-CG 3.29Å; E80-Q253 WeakPolarHBondContact O-CG 3.38Å; E80-Q253 PolarHBondContact O-NE2 3.15Å; G81-Q253 VanDerWaalsContact C-NE2 3.32Å; G81-Q253 PolarHBondContact O-NE2 3.01Å; I85-Q253 HydrophobicContact CD1-CG 3.89Å; S222-Q253 PolarHBondContact O-N 2.96Å; A223-Q253 HydrophobicContact CB-CB 4.06Å; A223-Q253 HydrophobicContact CB-CG 3.73Å; Q253-H257 PolarHBondContact OE1-CE1 3Å; Q253-S263 VanDerWaalsContact O-CB 3.28Å; Q253-S263 WeakPolarHBondContact O-CB 3.35Å; Q253-G265 WeakPolarHBondContact O-CA 3.43Å; Q253-G265 PolarHBondContact O-N 3.02Å
254	V	98.4	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156	177.4	71	0	0	0	0	111.8	Q47 V48 T49 R282	Q47-V254 HydrophobicContact CG-CB 3.59Å; Q47-V254 HydrophobicContact CG-CG1 3.45Å; Q47-V254 VanDerWaalsContact CG-CG1 3.45Å; Q47-V254 HydrophobicContact CG-CG2 4.45Å; V48-V254 PolarHBondContact O-N 3.44Å; T49-V254 VanDerWaalsContact CB-O 3.3Å; T49-V254 WeakPolarHBondContact CB-O 3.31Å; T49-V254 VanDerWaalsContact CG2-O 3.22Å; T49-V254 WeakPolarHBondContact CG2-O 3.44Å; T49-V254 WeakPolarHBondContact OG1-CG1 3.31Å; T49-V254 PolarHBondContact OG1-O 2.78Å; V254-R282 VanDerWaalsContact CG2-C 3.41Å; V254-R282 WeakPolarHBondContact CG2-O 3.49Å
255	G	96.7	Very high	96.7	Very high	25 Å²	25	34.6 Å²	34.6	26%	0.258	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.2	-159	168.1	0	0	0	0	0	112.9	S262 S263	G255-S262 CarbonylContact O-C 3.57Å; G255-S262 WeakPolarHBondContact O-CA 3.28Å; G255-S262 VanDerWaalsContact O-CB 3.3Å; G255-S262 WeakPolarHBondContact O-CB 3.28Å; G255-S263 PolarHBondContact N-O 2.67Å; G255-S263 VanDerWaalsContact N-O 3.14Å; G255-S263 PolarHBondContact O-N 3.12Å
256	R	96.4	Very high	96.7	Very high	159 Å²	159	35.5 Å²	35.5	60%	0.6	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.2	-173.7	-174.8	173	175.4	173.8	-7.5	110.6	T49 H258	T49-R256 WeakPolarHBondContact CG2-O 3.41Å; R256-H258 VanDerWaalsContact CG-O 3.24Å; R256-H258 WeakPolarHBondContact CG-O 3.31Å; R256-H258 PolarHBondContact NE-O 2.75Å
257	H	96.8	Very high	96.7	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-41.9	179.5	-56.6	-66.3	0	0	0	111.6	A50 I85 Q253 R261 S263	A50-H257 WeakPolarHBondContact O-CB 3.4Å; A50-H257 PolarHBondContact O-ND1 3.2Å; I85-H257 HydrophobicContact CB-CB 4.24Å; I85-H257 WeakPolarHBondContact CD1-ND1 3.49Å; I85-H257 HydrophobicContact CG2-CB 3.91Å; Q253-H257 PolarHBondContact OE1-CE1 3Å; H257-R261 HydrophobicContact CB-CB 4.46Å; H257-R261 PolarHBondContact N-O 2.76Å; H257-S263 WeakPolarHBondContact NE2-CB 3.31Å; H257-S263 PolarHBondContact NE2-OG 2.94Å
258	H	94.5	Very high	96.6	Very high	35 Å²	35	35.3 Å²	35.3	16%	0.162	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-170.6	175.3	55.7	87.7	0	0	0	108.8	G86 R256 K260 R261	G86-H258 PolarHBondContact O-NE2 3.15Å; R256-H258 VanDerWaalsContact CG-O 3.24Å; R256-H258 WeakPolarHBondContact CG-O 3.31Å; R256-H258 PolarHBondContact NE-O 2.75Å; H258-K260 PolarHBondContact ND1-N 3.05Å; H258-K260 PolarHBondContact O-N 3.25Å; H258-K260 VanDerWaalsContact O-N 3.13Å; H258-R261 VanDerWaalsContact CE1-CB 3.41Å; H258-R261 WeakPolarHBondContact CE1-CB 3.41Å; H258-R261 WeakPolarHBondContact NE2-CB 3.31Å; H258-R261 PolarHBondContact O-N 3.12Å
259	E	91.8	Very high	96.6	Very high	163 Å²	163	35.3 Å²	35.3	76%	0.762	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.1	-172.3	-64.4	-176.1	163.6	0	0	115.8
260	K	88.8	Confident	96.6	Very high	181 Å²	181	35.3 Å²	35.3	79%	0.787	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-2.3	-170.4	-60.1	178.9	-176.9	175.1	0	113.6	H258	H258-K260 PolarHBondContact ND1-N 3.05Å; H258-K260 PolarHBondContact O-N 3.25Å; H258-K260 VanDerWaalsContact O-N 3.13Å
261	R	91.3	Very high	96.6	Very high	61 Å²	61	35.3 Å²	35.3	23%	0.23	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.4	-173.5	-170.7	56.8	-177.2	-92.1	1.6	111.8	I85 A223 H257 H258	I85-R261 HydrophobicContact CG2-CG 4.26Å; A223-R261 PolarHBondContact O-NH2 2.95Å; H257-R261 HydrophobicContact CB-CB 4.46Å; H257-R261 PolarHBondContact N-O 2.76Å; H258-R261 VanDerWaalsContact CE1-CB 3.41Å; H258-R261 WeakPolarHBondContact CE1-CB 3.41Å; H258-R261 WeakPolarHBondContact NE2-CB 3.31Å; H258-R261 PolarHBondContact O-N 3.12Å
262	S	94.5	Very high	96.6	Very high	47 Å²	47	35.3 Å²	35.3	33%	0.329	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150	170.2	-60.2	0	0	0	0	109.5	G255	G255-S262 CarbonylContact O-C 3.57Å; G255-S262 WeakPolarHBondContact O-CA 3.28Å; G255-S262 VanDerWaalsContact O-CB 3.3Å; G255-S262 WeakPolarHBondContact O-CB 3.28Å
263	S	96.6	Very high	96.6	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.028	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.7	178	-61.6	0	0	0	0	111.9	F224 Q253 G255 H257 G265	F224-S263 CarbonylContact O-C 3.48Å; F224-S263 WeakPolarHBondContact O-CA 3.34Å; Q253-S263 VanDerWaalsContact O-CB 3.28Å; Q253-S263 WeakPolarHBondContact O-CB 3.35Å; G255-S263 PolarHBondContact N-O 2.67Å; G255-S263 VanDerWaalsContact N-O 3.14Å; G255-S263 PolarHBondContact O-N 3.12Å; H257-S263 WeakPolarHBondContact NE2-CB 3.31Å; H257-S263 PolarHBondContact NE2-OG 2.94Å; S263-G265 VanDerWaalsContact C-N 3.33Å; S263-G265 PolarHBondContact O-N 3.39Å
264	Y	97.4	Very high	96.6	Very high	24 Å²	24	42.8 Å²	42.8	9%	0.094	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-29.8	-171.2	-176.6	-120.6	0	0	0	114.2	F224 G229 A230 W233 H266 R282	F224-Y264 PolarHBondContact O-N 2.84Å; G229-Y264 VanDerWaalsContact C-CE1 3.42Å; G229-Y264 WeakPolarHBondContact O-CE1 3.18Å; A230-Y264 VanDerWaalsContact CA-CE2 3.46Å; A230-Y264 HydrophobicContact CB-CD2 4.42Å; A230-Y264 HydrophobicContact CB-CE2 3.79Å; W233-Y264 HydrophobicContact CB-CD1 4.04Å; W233-Y264 HydrophobicContact CB-CE1 4.01Å; W233-Y264 HydrophobicContact CG-CD1 4.16Å; W233-Y264 HydrophobicContact CG-CE1 4.32Å; Y264-H266 HydrophobicContact CD1-CB 4.36Å; Y264-H266 AromaticContact CD1-CD2 3.69Å; Y264-H266 HydrophobicContact CE1-CB 4.18Å; Y264-H266 AromaticContact CE1-CD2 3.17Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.43Å; Y264-H266 AromaticContact CE1-CG 3.88Å; Y264-H266 AromaticContact CE1-NE2 3.89Å; Y264-H266 AromaticContact CZ-CD2 3.36Å; Y264-H266 AromaticContact CZ-NE2 3.6Å; Y264-H266 PolarHBondContact OH-NE2 2.83Å; Y264-R282 PolarHBondContact OH-NH2 3.07Å; Y264-R282 VanDerWaalsContact OH-NH2 3.14Å
265	G	97.9	Very high	96.6	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.031	22%	0.219	C	C	.	.			trans	78	-142.2	-168.8	0	0	0	0	0	111.8	Q47 A252 Q253 S263	Q47-G265 VanDerWaalsContact OE1-C 3.25Å; Q47-G265 VanDerWaalsContact OE1-CA 3.27Å; A252-G265 WeakPolarHBondContact CB-O 3.38Å; Q253-G265 WeakPolarHBondContact O-CA 3.43Å; Q253-G265 PolarHBondContact O-N 3.02Å; S263-G265 VanDerWaalsContact C-N 3.33Å; S263-G265 PolarHBondContact O-N 3.39Å
266	H	98.3	Very high	96.7	Very high	24 Å²	24	49.2 Å²	49.2	11%	0.111	22%	0.221	C	C	.	.			trans	54.9	53.4	-172.5	-66.6	-88	0	0	0	112.7	W233 Y264 L268 D279 G281 R282	W233-H266 PolarHBondContact NE1-O 3.21Å; Y264-H266 HydrophobicContact CD1-CB 4.36Å; Y264-H266 AromaticContact CD1-CD2 3.69Å; Y264-H266 HydrophobicContact CE1-CB 4.18Å; Y264-H266 AromaticContact CE1-CD2 3.17Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.43Å; Y264-H266 AromaticContact CE1-CG 3.88Å; Y264-H266 AromaticContact CE1-NE2 3.89Å; Y264-H266 AromaticContact CZ-CD2 3.36Å; Y264-H266 AromaticContact CZ-NE2 3.6Å; Y264-H266 PolarHBondContact OH-NE2 2.83Å; H266-L268 WeakPolarHBondContact O-CB 3.45Å; H266-L268 PolarHBondContact O-N 3.19Å; H266-D279 WeakPolarHBondContact CA-OD1 3.37Å; H266-D279 IonicContact CE1-OD2 2.83Å; H266-D279 PolarHBondContact CE1-OD2 3.42Å; H266-D279 IonicContact CG-OD1 3.48Å; H266-D279 VanDerWaalsContact ND1-CG 3.27Å; H266-D279 IonicContact ND1-OD1 2.54Å; H266-D279 PolarHBondContact ND1-OD1 3.39Å; H266-D279 IonicContact ND1-OD2 3.81Å; H266-D279 PolarHBondContact ND1-OD2 3.23Å; H266-G281 PolarHBondContact N-O 2.77Å; H266-R282 VanDerWaalsContact CD2-CG 3.49Å; H266-R282 WeakPolarHBondContact CD2-CG 3.49Å; H266-R282 WeakPolarHBondContact NE2-CG 3.35Å; H266-R282 PolarHBondContact NE2-NE 3.47Å
267	A	98.7	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.			trans	-55	118.6	163.6	0	0	0	0	0	108.2	V45 C46 Q47 A250 A252 C280	V45-A267 HydrophobicContact CG1-CB 4.27Å; C46-A267 WeakPolarHBondContact O-CB 3.41Å; Q47-A267 HydrophobicContact CB-CB 3.7Å; Q47-A267 HydrophobicContact CG-CB 4.41Å; A250-A267 CarbonylContact O-C 3.59Å; A250-A267 VanDerWaalsContact O-CA 3.27Å; A250-A267 WeakPolarHBondContact O-CA 3.47Å; A252-A267 HydrophobicContact CB-CB 3.93Å; A267-C280 HydrophobicContact CB-CB 4.03Å; A267-C280 PolarHBondContact O-N 3.4Å
268	L	98.6	Very high	96.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.2	-158.5	-157.8	76.5	0	0	0	110.5	E234 L237 A250 H266 V270 V276 G278 D279	E234-L268 HydrophobicContact CB-CD2 4.43Å; E234-L268 HydrophobicContact CG-CD2 4.06Å; L237-L268 HydrophobicContact CB-CD2 4.3Å; L237-L268 HydrophobicContact CD1-CB 3.86Å; L237-L268 HydrophobicContact CD1-CD2 3.63Å; L237-L268 HydrophobicContact CD1-CG 4.38Å; A250-L268 PolarHBondContact N-O 3.03Å; A250-L268 PolarHBondContact O-N 3.03Å; H266-L268 WeakPolarHBondContact O-CB 3.45Å; H266-L268 PolarHBondContact O-N 3.19Å; L268-V270 HydrophobicContact CD2-CG2 3.76Å; L268-V270 HydrophobicContact CG-CG2 4.2Å; L268-V276 HydrophobicContact CD1-CG1 3.59Å; L268-V276 HydrophobicContact CD2-CG2 4.36Å; L268-V276 HydrophobicContact CG-CG1 4.13Å; L268-G278 CarbonylContact C-O 3.58Å; L268-G278 WeakPolarHBondContact CA-O 3.28Å; L268-G278 WeakPolarHBondContact CD1-O 3.45Å; L268-D279 HydrophobicContact CD1-CB 3.67Å
269	A	98.8	Very high	97	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.7	169.3	0	0	0	0	0	109.7	V248 L249 V277 G278 V290	V248-A269 CarbonylContact O-C 3.59Å; V248-A269 WeakPolarHBondContact O-CA 3.44Å; L249-A269 HydrophobicContact CD2-CB 3.83Å; A269-V277 HydrophobicContact CB-CG2 3.87Å; A269-V277 WeakPolarHBondContact O-CG2 3.32Å; A269-V277 PolarHBondContact O-N 3Å; A269-G278 PolarHBondContact N-O 3.18Å; A269-G278 PolarHBondContact O-N 2.93Å; A269-V290 HydrophobicContact CB-CB 4.43Å; A269-V290 HydrophobicContact CB-CG1 4.23Å; A269-V290 HydrophobicContact CB-CG2 3.34Å
270	V	98.9	Very high	97.3	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138	178.4	-168.5	0	0	0	0	109	L237 R238 A241 F247 V248 L268 E275 V276	L237-V270 HydrophobicContact CB-CG2 4.27Å; R238-V270 HydrophobicContact CB-CG1 4.46Å; R238-V270 HydrophobicContact CG-CG1 3.88Å; R238-V270 HydrophobicContact CG-CG2 4.05Å; A241-V270 HydrophobicContact CB-CB 4.03Å; A241-V270 HydrophobicContact CB-CG1 3.64Å; F247-V270 CarbonylContact C-O 3.58Å; F247-V270 WeakPolarHBondContact CA-O 3.08Å; V248-V270 HydrophobicContact CB-CB 4.27Å; V248-V270 PolarHBondContact N-O 2.81Å; V248-V270 PolarHBondContact O-N 3.14Å; L268-V270 HydrophobicContact CD2-CG2 3.76Å; L268-V270 HydrophobicContact CG-CG2 4.2Å; V270-E275 CarbonylContact C-O 3.49Å; V270-E275 VanDerWaalsContact CA-O 3.31Å; V270-E275 WeakPolarHBondContact CA-O 3.3Å; V270-E275 WeakPolarHBondContact CG1-O 3.47Å; V270-V276 HydrophobicContact CG2-CG2 4.44Å
271	D	98.8	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.			trans	-84.6	171.8	177.5	80.8	9.2	0	0	0	113.3	A241 F247 W273 G274 E275 V277 K296	A241-D271 VanDerWaalsContact CB-O 3.32Å; A241-D271 WeakPolarHBondContact CB-O 3.46Å; F247-D271 HydrophobicContact CD1-CB 4.15Å; F247-D271 HydrophobicContact CE1-CB 3.74Å; F247-D271 HydrophobicContact CZ-CB 4.42Å; D271-W273 PolarHBondContact O-N 3.31Å; D271-W273 WeakPolarHBondContact OD1-CA 3.42Å; D271-W273 WeakPolarHBondContact OD1-CB 3.47Å; D271-W273 PolarHBondContact OD1-N 2.68Å; D271-G274 PolarHBondContact O-N 3.4Å; D271-G274 PolarHBondContact OD1-N 3.2Å; D271-E275 PolarHBondContact N-O 3.16Å; D271-E275 PolarHBondContact OD1-N 2.86Å; D271-E275 WeakPolarHBondContact OD2-CB 3.45Å; D271-V277 HydrophobicContact CB-CG1 3.94Å; D271-K296 WeakPolarHBondContact OD2-CE 3.34Å; D271-K296 IonicContact OD2-NZ 2.7Å; D271-K296 PolarHBondContact OD2-NZ 2.98Å
272	P	98.8	Very high	97.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.4	-179.5	-26.2	36.3	0	0	0	116	C246 F247 V297 T300	C246-P272 WeakPolarHBondContact O-CA 3.43Å; F247-P272 HydrophobicContact CD2-CG 3.77Å; F247-P272 HydrophobicContact CE2-CG 3.83Å; F247-P272 HydrophobicContact CG-CG 4.25Å; F247-P272 HydrophobicContact CZ-CG 4.35Å; P272-V297 HydrophobicContact CG-CB 4.34Å; P272-V297 HydrophobicContact CG-CG2 3.6Å; P272-T300 HydrophobicContact CB-CG2 4.13Å
273	W	98.4	Very high	96.7	Very high	158 Å²	158	42.3 Å²	42.3	60%	0.598	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.6	176.2	-164.8	-111.5	0	0	0	112.4	D271 T300 M304	D271-W273 PolarHBondContact O-N 3.31Å; D271-W273 WeakPolarHBondContact OD1-CA 3.42Å; D271-W273 WeakPolarHBondContact OD1-CB 3.47Å; D271-W273 PolarHBondContact OD1-N 2.68Å; W273-T300 HydrophobicContact CE3-CG2 3.88Å; W273-T300 HydrophobicContact CZ3-CG2 4.39Å; W273-M304 HydrophobicContact CH2-CE 4.35Å; W273-M304 HydrophobicContact CZ3-CB 4.33Å
274	G	98.4	Very high	96.5	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.021	24%	0.236	C	C	.	.	S	Bend	trans	89.4	14.3	-177.3	0	0	0	0	0	114.2	R238 D271	R238-G274 PolarHBondContact NE-O 3.45Å; R238-G274 PolarHBondContact NH2-O 3.18Å; D271-G274 PolarHBondContact O-N 3.4Å; D271-G274 PolarHBondContact OD1-N 3.2Å
275	E	98.6	Very high	96.5	Very high	112 Å²	112	51.5 Å²	51.5	52%	0.523	25%	0.254	S	S	.	.			trans	-80.2	132.9	172.4	-169.7	-178.1	174.7	0	0	109.9	V270 D271 V277	V270-E275 CarbonylContact C-O 3.49Å; V270-E275 VanDerWaalsContact CA-O 3.31Å; V270-E275 WeakPolarHBondContact CA-O 3.3Å; V270-E275 WeakPolarHBondContact CG1-O 3.47Å; D271-E275 PolarHBondContact N-O 3.16Å; D271-E275 PolarHBondContact OD1-N 2.86Å; D271-E275 WeakPolarHBondContact OD2-CB 3.45Å; E275-V277 PolarHBondContact O-N 2.81Å
276	V	98.7	Very high	96.5	Very high	49 Å²	49	52.4 Å²	52.4	30%	0.297	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.2	172.7	177.4	0	0	0	0	108.2	E234 R238 L268 V270 D279	E234-V276 HydrophobicContact CG-CG2 4.22Å; R238-V276 HydrophobicContact CG-CG2 4.26Å; L268-V276 HydrophobicContact CD1-CG1 3.59Å; L268-V276 HydrophobicContact CD2-CG2 4.36Å; L268-V276 HydrophobicContact CG-CG1 4.13Å; V270-V276 HydrophobicContact CG2-CG2 4.44Å; V276-D279 HydrophobicContact CG1-CB 4.37Å
277	V	98.4	Very high	96.6	Very high	60 Å²	60	52.2 Å²	52.2	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-5.3	-177.8	-64.6	0	0	0	0	113	A269 D271 E275 V290	A269-V277 HydrophobicContact CB-CG2 3.87Å; A269-V277 WeakPolarHBondContact O-CG2 3.32Å; A269-V277 PolarHBondContact O-N 3Å; D271-V277 HydrophobicContact CB-CG1 3.94Å; E275-V277 PolarHBondContact O-N 2.81Å; V277-V290 HydrophobicContact CG2-CG1 4.03Å
278	G	98	Very high	96.5	Very high	11 Å²	11	53.3 Å²	53.3	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	139.2	170.9	0	0	0	0	0	112	L268 A269	L268-G278 CarbonylContact C-O 3.58Å; L268-G278 WeakPolarHBondContact CA-O 3.28Å; L268-G278 WeakPolarHBondContact CD1-O 3.45Å; A269-G278 PolarHBondContact N-O 3.18Å; A269-G278 PolarHBondContact O-N 2.93Å
279	D	98.1	Very high	96.5	Very high	69 Å²	69	55.7 Å²	55.7	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	123.6	175	-174.3	-4	0	0	0	110.3	H266 L268 V276 G281	H266-D279 WeakPolarHBondContact CA-OD1 3.37Å; H266-D279 IonicContact CE1-OD2 2.83Å; H266-D279 PolarHBondContact CE1-OD2 3.42Å; H266-D279 IonicContact CG-OD1 3.48Å; H266-D279 VanDerWaalsContact ND1-CG 3.27Å; H266-D279 IonicContact ND1-OD1 2.54Å; H266-D279 PolarHBondContact ND1-OD1 3.39Å; H266-D279 IonicContact ND1-OD2 3.81Å; H266-D279 PolarHBondContact ND1-OD2 3.23Å; L268-D279 HydrophobicContact CD1-CB 3.67Å; V276-D279 HydrophobicContact CG1-CB 4.37Å; D279-G281 VanDerWaalsContact C-N 3.3Å; D279-G281 PolarHBondContact OD1-N 3.32Å
280	C	96.8	Very high	96.5	Very high	31 Å²	31	56 Å²	56	21%	0.209	28%	0.283	C	S	.	.			trans	-77.8	-9.7	175.3	-71.9	0	0	0	0	114.1	Q47 A267 V288	Q47-C280 HydrophobicContact CB-CB 3.84Å; Q47-C280 HydrophobicContact CG-CB 4.35Å; Q47-C280 PolarHBondContact NE2-O 2.82Å; A267-C280 HydrophobicContact CB-CB 4.03Å; A267-C280 PolarHBondContact O-N 3.4Å; C280-V288 PolarHBondContact SG-N 3.31Å
281	G	95	Very high	96.4	Very high	21 Å²	21	60.2 Å²	60.2	22%	0.216	30%	0.303	C	S	.	.			trans	68.1	-163.6	-177.3	0	0	0	0	0	113.9	Q47 H266 D279	Q47-G281 PolarHBondContact NE2-O 3.12Å; Q47-G281 PolarHBondContact OE1-O 3.24Å; Q47-G281 VanDerWaalsContact OE1-O 3.12Å; H266-G281 PolarHBondContact N-O 2.77Å; D279-G281 VanDerWaalsContact C-N 3.3Å; D279-G281 PolarHBondContact OD1-N 3.32Å
282	R	88.1	Confident	96.4	Very high	152 Å²	152	60.2 Å²	60.2	57%	0.574	30%	0.304	S	S	*	.	S	Bend	trans	-102.8	-9.3	-167.1	-60.1	-176.3	-167.4	175.7	4.6	115.9	V254 Y264 H266	V254-R282 VanDerWaalsContact CG2-C 3.41Å; V254-R282 WeakPolarHBondContact CG2-O 3.49Å; Y264-R282 PolarHBondContact OH-NH2 3.07Å; Y264-R282 VanDerWaalsContact OH-NH2 3.14Å; H266-R282 VanDerWaalsContact CD2-CG 3.49Å; H266-R282 WeakPolarHBondContact CD2-CG 3.49Å; H266-R282 WeakPolarHBondContact NE2-CG 3.35Å; H266-R282 PolarHBondContact NE2-NE 3.47Å
283	E	80.3	Confident	96.3	Very high	165 Å²	165	61.9 Å²	61.9	77%	0.771	31%	0.312	S	S	*	.	S	Bend	trans	-93.7	-47.1	-157.8	-63.4	-166.4	171.3	0	0	114.1
284	K	92.3	Very high	96.2	Very high	146 Å²	146	57.1 Å²	57.1	64%	0.635	30%	0.298	S	S	*	.	S	Bend	trans	-144.7	157.9	-165	-63	-177.4	-172.7	174.5	0	112.6	Q47	Q47-K284 PolarHBondContact NE2-O 2.97Å
285	P	97.4	Very high	96.2	Very high	75 Å²	75	62 Å²	62	49%	0.487	32%	0.324	S	S	.	.	S	Bend	trans	-52.2	146.4	163.5	-26.4	35.8	0	0	0	111.7	Q47	Q47-P285 CarbonylContact O-C 3.49Å; Q47-P285 WeakPolarHBondContact O-CA 3.37Å
286	G	98.1	Very high	96.1	Very high	21 Å²	21	59.7 Å²	59.7	22%	0.216	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	-162.8	-175.8	0	0	0	0	0	111.7	C46 Q47	C46-G286 WeakPolarHBondContact CA-O 3.38Å; Q47-G286 PolarHBondContact N-O 2.55Å; Q47-G286 PolarHBondContact O-N 3.29Å
287	M	98.4	Very high	96.1	Very high	20 Å²	20	57.3 Å²	57.3	10%	0.099	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	158.1	174.5	75.6	-174	84.7	0	0	111.1	A44 V45 L64 E67 A68 L289	A44-M287 HydrophobicContact CB-SD 3.99Å; V45-M287 VanDerWaalsContact O-CA 3.29Å; V45-M287 WeakPolarHBondContact O-CA 3.22Å; L64-M287 HydrophobicContact CB-CE 4.28Å; L64-M287 HydrophobicContact CD2-CE 3.81Å; L64-M287 VanDerWaalsContact O-CE 3.23Å; L64-M287 WeakPolarHBondContact O-CE 3.39Å; E67-M287 HydrophobicContact CB-CE 3.78Å; E67-M287 HydrophobicContact CG-CE 3.84Å; A68-M287 HydrophobicContact CB-CE 4.13Å; A68-M287 HydrophobicContact CB-SD 3.64Å; M287-L289 HydrophobicContact SD-CD2 4.16Å
288	V	98.1	Very high	96.1	Very high	23 Å²	23	58 Å²	58	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142.1	161.9	-71.7	0	0	0	0	109.8	A44 V45 C280 V290	A44-V288 WeakPolarHBondContact CA-O 3.31Å; V45-V288 HydrophobicContact CB-CG2 3.92Å; V45-V288 PolarHBondContact N-O 3.44Å; V45-V288 PolarHBondContact O-N 2.92Å; C280-V288 PolarHBondContact SG-N 3.31Å; V288-V290 HydrophobicContact CG2-CG2 4.49Å
289	L	98.5	Very high	96.1	Very high	52 Å²	52	63.9 Å²	63.9	27%	0.272	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138	172.3	-62.9	-179.2	0	0	0	109.5	V42 A43 A44 R71 A73 M287	V42-L289 HydrophobicContact CG1-CB 4.11Å; V42-L289 HydrophobicContact CG1-CD2 4.2Å; A43-L289 CarbonylContact O-C 3.54Å; A43-L289 WeakPolarHBondContact O-CA 3.32Å; A44-L289 HydrophobicContact CB-CD2 3.72Å; R71-L289 HydrophobicContact CB-CD1 3.63Å; A73-L289 HydrophobicContact CB-CD2 4.28Å; M287-L289 HydrophobicContact SD-CD2 4.16Å
290	V	97.7	Very high	96.1	Very high	6 Å²	6	61.2 Å²	61.2	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.2	-175.2	-171.6	0	0	0	0	108.4	V42 A43 V45 L249 A269 V277 V288	V42-V290 WeakPolarHBondContact CA-O 3.34Å; A43-V290 PolarHBondContact N-O 2.94Å; A43-V290 PolarHBondContact O-N 2.93Å; V45-V290 HydrophobicContact CG2-CG2 4.14Å; L249-V290 HydrophobicContact CD2-CB 4.45Å; L249-V290 HydrophobicContact CD2-CG1 4.2Å; L249-V290 HydrophobicContact CD2-CG2 4.28Å; A269-V290 HydrophobicContact CB-CB 4.43Å; A269-V290 HydrophobicContact CB-CG1 4.23Å; A269-V290 HydrophobicContact CB-CG2 3.34Å; V277-V290 HydrophobicContact CG2-CG1 4.03Å; V288-V290 HydrophobicContact CG2-CG2 4.49Å
291	E	97.7	Very high	96.2	Very high	90 Å²	90	62.4 Å²	62.4	42%	0.421	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.5	169.8	-65.8	-171.9	177.4	0	0	109.4	S36 S38 N40 V42 N293	S36-E291 PolarHBondContact OG-OE1 3.13Å; S36-E291 VanDerWaalsContact OG-OE1 3.13Å; S38-E291 WeakPolarHBondContact CB-OE1 3.08Å; S38-E291 WeakPolarHBondContact CB-OE2 3.22Å; S38-E291 PolarHBondContact OG-OE1 3.47Å; S38-E291 PolarHBondContact OG-OE2 2.87Å; N40-E291 HydrophobicContact CB-CB 4.39Å; V42-E291 HydrophobicContact CG2-CG 4.22Å; E291-N293 PolarHBondContact O-N 2.86Å
292	V	97.9	Very high	96.3	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	34%	0.335	C	S	.	.			trans	-92.1	99.9	-176.7	-174.8	0	0	0	0	109.8	P41 A43 I190 I217 F247 L294	P41-V292 PolarHBondContact O-N 2.73Å; A43-V292 HydrophobicContact CB-CG2 4.16Å; I190-V292 HydrophobicContact CB-CB 4.19Å; I190-V292 HydrophobicContact CB-CG1 4.4Å; I190-V292 HydrophobicContact CB-CG2 4.16Å; I190-V292 HydrophobicContact CD1-CG2 4.43Å; I190-V292 HydrophobicContact CG2-CG2 4.36Å; I190-V292 VanDerWaalsContact O-CG1 3.29Å; I190-V292 WeakPolarHBondContact O-CG1 3.44Å; I217-V292 HydrophobicContact CD1-CG1 4.12Å; I217-V292 HydrophobicContact CG1-CG1 4.35Å; F247-V292 HydrophobicContact CD2-CG1 4.06Å; F247-V292 HydrophobicContact CE2-CG1 4.12Å; V292-L294 HydrophobicContact CG1-CD2 4.09Å
293	N	97.1	Very high	96.8	Very high	35 Å²	35	68.3 Å²	68.3	19%	0.187	34%	0.34	C	S	.	.			trans	-95.7	100.2	178.6	-176.6	-24.4	0	0	0	111.2	E291 D295 K296	E291-N293 PolarHBondContact O-N 2.86Å; N293-D295 PolarHBondContact O-N 2.85Å; N293-D295 WeakPolarHBondContact OD1-CA 3.31Å; N293-D295 WeakPolarHBondContact OD1-CB 3.4Å; N293-D295 PolarHBondContact OD1-N 3.47Å; N293-K296 HydrophobicContact CB-CB 4.3Å; N293-K296 VanDerWaalsContact O-CB 3.24Å; N293-K296 WeakPolarHBondContact O-CB 3.37Å; N293-K296 PolarHBondContact O-N 3.11Å; N293-K296 PolarHBondContact OD1-N 3.17Å; N293-K296 VanDerWaalsContact OD1-N 3.14Å
294	L	97.4	Very high	97.6	Very high	58 Å²	58	64.5 Å²	64.5	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-19.2	179.1	-61.5	-176.6	0	0	0	113.7	D216 V292 K296 V297 S298	D216-L294 HydrophobicContact CB-CD2 3.81Å; V292-L294 HydrophobicContact CG1-CD2 4.09Å; L294-K296 PolarHBondContact O-N 2.98Å; L294-V297 HydrophobicContact CD2-CG2 4.26Å; L294-V297 WeakPolarHBondContact O-CB 3.31Å; L294-V297 PolarHBondContact O-N 3.46Å; L294-S298 PolarHBondContact O-N 3.19Å; L294-S298 PolarHBondContact O-OG 3.04Å; L294-S298 VanDerWaalsContact O-OG 3.1Å
295	D	97.4	Very high	97.8	Very high	105 Å²	105	59 Å²	59	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-68.1	-27.4	169.4	-61.4	-29.1	0	0	0	111.2	N293 R299	N293-D295 PolarHBondContact O-N 2.85Å; N293-D295 WeakPolarHBondContact OD1-CA 3.31Å; N293-D295 WeakPolarHBondContact OD1-CB 3.4Å; N293-D295 PolarHBondContact OD1-N 3.47Å; D295-R299 VanDerWaalsContact O-CB 3.27Å; D295-R299 WeakPolarHBondContact O-CB 3.48Å; D295-R299 VanDerWaalsContact O-CG 3.24Å; D295-R299 WeakPolarHBondContact O-CG 3.21Å; D295-R299 PolarHBondContact O-N 3.24Å; D295-R299 PolarHBondContact O-NE 3.14Å
296	K	97.6	Very high	97.7	Very high	63 Å²	63	57.7 Å²	57.7	27%	0.274	29%	0.293	S	S	.	.	H	α-helix	trans	-67.7	-41.7	173	-169	170.3	-170.2	170.4	0	110.8	D271 N293 L294 T300	D271-K296 WeakPolarHBondContact OD2-CE 3.34Å; D271-K296 IonicContact OD2-NZ 2.7Å; D271-K296 PolarHBondContact OD2-NZ 2.98Å; N293-K296 HydrophobicContact CB-CB 4.3Å; N293-K296 VanDerWaalsContact O-CB 3.24Å; N293-K296 WeakPolarHBondContact O-CB 3.37Å; N293-K296 PolarHBondContact O-N 3.11Å; N293-K296 PolarHBondContact OD1-N 3.17Å; N293-K296 VanDerWaalsContact OD1-N 3.14Å; L294-K296 PolarHBondContact O-N 2.98Å; K296-T300 VanDerWaalsContact O-CB 3.29Å; K296-T300 WeakPolarHBondContact O-CB 3.32Å; K296-T300 PolarHBondContact O-N 2.94Å; K296-T300 PolarHBondContact O-OG1 3.07Å
297	V	98	Very high	97.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-52.8	172.9	177.2	0	0	0	0	109.8	F247 P272 L294 R299 T300 R301	F247-V297 HydrophobicContact CD2-CG2 3.71Å; F247-V297 HydrophobicContact CE2-CG2 3.77Å; P272-V297 HydrophobicContact CG-CB 4.34Å; P272-V297 HydrophobicContact CG-CG2 3.6Å; L294-V297 HydrophobicContact CD2-CG2 4.26Å; L294-V297 WeakPolarHBondContact O-CB 3.31Å; L294-V297 PolarHBondContact O-N 3.46Å; V297-R299 PolarHBondContact O-N 3.35Å; V297-T300 PolarHBondContact O-N 3.34Å; V297-R301 WeakPolarHBondContact O-CG 3.16Å; V297-R301 PolarHBondContact O-N 3.44Å
298	S	97.7	Very high	97.2	Very high	73 Å²	73	65.5 Å²	65.5	51%	0.51	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-45.8	-178.1	-59.9	0	0	0	0	112.5	L294 R301 K302	L294-S298 PolarHBondContact O-N 3.19Å; L294-S298 PolarHBondContact O-OG 3.04Å; L294-S298 VanDerWaalsContact O-OG 3.1Å; S298-R301 PolarHBondContact O-N 2.99Å; S298-K302 WeakPolarHBondContact O-CB 3.35Å; S298-K302 PolarHBondContact O-N 3.49Å
299	R	98.1	Very high	97.1	Very high	135 Å²	135	70.5 Å²	70.5	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-41.5	176.6	-77.3	178.3	-75.8	174	-6.1	112.4	D295 V297 K302 N303	D295-R299 VanDerWaalsContact O-CB 3.27Å; D295-R299 WeakPolarHBondContact O-CB 3.48Å; D295-R299 VanDerWaalsContact O-CG 3.24Å; D295-R299 WeakPolarHBondContact O-CG 3.21Å; D295-R299 PolarHBondContact O-N 3.24Å; D295-R299 PolarHBondContact O-NE 3.14Å; V297-R299 PolarHBondContact O-N 3.35Å; R299-K302 PolarHBondContact O-N 2.53Å; R299-N303 WeakPolarHBondContact O-CB 3.27Å; R299-N303 VanDerWaalsContact O-CG 3.23Å; R299-N303 PolarHBondContact O-N 3.17Å
300	T	98.3	Very high	96.7	Very high	13 Å²	13	72.4 Å²	72.4	8%	0.08	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-48.5	178.6	-58.7	0	0	0	0	110.8	Q245 P272 W273 K296 V297 K302 N303 M304	Q245-T300 HydrophobicContact CB-CG2 4.19Å; Q245-T300 HydrophobicContact CG-CG2 4.22Å; Q245-T300 PolarHBondContact NE2-O 2.86Å; Q245-T300 VanDerWaalsContact NE2-O 3.14Å; P272-T300 HydrophobicContact CB-CG2 4.13Å; W273-T300 HydrophobicContact CE3-CG2 3.88Å; W273-T300 HydrophobicContact CZ3-CG2 4.39Å; K296-T300 VanDerWaalsContact O-CB 3.29Å; K296-T300 WeakPolarHBondContact O-CB 3.32Å; K296-T300 PolarHBondContact O-N 2.94Å; K296-T300 PolarHBondContact O-OG1 3.07Å; V297-T300 PolarHBondContact O-N 3.34Å; T300-K302 VanDerWaalsContact C-N 3.34Å; T300-K302 PolarHBondContact O-N 3.23Å; T300-N303 PolarHBondContact O-N 3.49Å; T300-M304 PolarHBondContact O-N 3.38Å
301	R	98.2	Very high	96.5	Very high	57 Å²	57	79.3 Å²	79.3	22%	0.215	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-38.2	176.3	-69.7	173.9	179.6	168.8	-1.2	112.6	A215 D216 Q245 C246 V297 S298 M304 P305	A215-R301 PolarHBondContact O-NH2 2.97Å; D216-R301 IonicContact OD1-NH1 3.49Å; D216-R301 PolarHBondContact OD1-NH1 2.98Å; Q245-R301 HydrophobicContact CB-CG 3.83Å; Q245-R301 PolarHBondContact O-NE 3.33Å; Q245-R301 PolarHBondContact O-NH2 3.23Å; C246-R301 PolarHBondContact SG-NH2 2.87Å; C246-R301 VanDerWaalsContact SG-NH2 3.4Å; V297-R301 WeakPolarHBondContact O-CG 3.16Å; V297-R301 PolarHBondContact O-N 3.44Å; S298-R301 PolarHBondContact O-N 2.99Å; R301-M304 CarbonylContact O-C 3.5Å; R301-P305 VanDerWaalsContact O-CA 3.24Å; R301-P305 WeakPolarHBondContact O-CA 3.17Å
302	K	97.8	Very high	96	Very high	168 Å²	168	79.7 Å²	79.7	73%	0.73	38%	0.379	S	S	*	.	H	α-helix	trans	-68.4	-45.3	177.3	-176.3	-179.8	178.1	-178.9	0	112.5	S298 R299 T300	S298-K302 WeakPolarHBondContact O-CB 3.35Å; S298-K302 PolarHBondContact O-N 3.49Å; R299-K302 PolarHBondContact O-N 2.53Å; T300-K302 VanDerWaalsContact C-N 3.34Å; T300-K302 PolarHBondContact O-N 3.23Å
303	N	97.8	Very high	95.3	Very high	128 Å²	128	84.6 Å²	84.6	68%	0.684	41%	0.409	S	S	*	.	H	α-helix	trans	-77.8	-25.1	-175.1	-67.5	-10.1	0	0	0	112.6	R299 T300	R299-N303 WeakPolarHBondContact O-CB 3.27Å; R299-N303 VanDerWaalsContact O-CG 3.23Å; R299-N303 PolarHBondContact O-N 3.17Å; T300-N303 PolarHBondContact O-N 3.49Å
304	M	97.5	Very high	94.8	Very high	85 Å²	85	86.1 Å²	86.1	42%	0.419	43%	0.426	S	S	.	.	S	Bend	trans	-133.5	77.7	178.6	-175.8	61.6	77.1	0	0	109	Q245 W273 T300 R301 V306	Q245-M304 PolarHBondContact NE2-O 3.12Å; Q245-M304 PolarHBondContact OE1-O 3.49Å; W273-M304 HydrophobicContact CH2-CE 4.35Å; W273-M304 HydrophobicContact CZ3-CB 4.33Å; T300-M304 PolarHBondContact O-N 3.38Å; R301-M304 CarbonylContact O-C 3.5Å; M304-V306 HydrophobicContact CG-CG1 3.76Å; M304-V306 PolarHBondContact O-N 2.88Å; M304-V306 HydrophobicContact SD-CG1 4.09Å
305	P	96.8	Very high	94.5	Very high	31 Å²	31	88.1 Å²	88.1	20%	0.201	43%	0.433	C	S	.	.			trans	-77.8	50.3	-170.2	31.9	-35.6	0	0	0	113.5	R301 Q307 Q308 H309	R301-P305 VanDerWaalsContact O-CA 3.24Å; R301-P305 WeakPolarHBondContact O-CA 3.17Å; P305-Q307 PolarHBondContact O-N 3.04Å; P305-Q308 HydrophobicContact CB-CB 4.39Å; P305-Q308 HydrophobicContact CB-CG 4.2Å; P305-Q308 WeakPolarHBondContact O-CB 3.34Å; P305-Q308 PolarHBondContact O-N 2.85Å; P305-H309 PolarHBondContact O-N 3.45Å
306	V	95.4	Very high	93.9	Very high	48 Å²	48	89.2 Å²	89.2	29%	0.291	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.1	-175.4	-72.4	0	0	0	0	113.5	Q245 M304 Q308 H309 R310	Q245-V306 HydrophobicContact CG-CG2 4.1Å; M304-V306 HydrophobicContact CG-CG1 3.76Å; M304-V306 PolarHBondContact O-N 2.88Å; M304-V306 HydrophobicContact SD-CG1 4.09Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.32Å; V306-H309 PolarHBondContact O-N 2.9Å; V306-H309 VanDerWaalsContact O-N 3.16Å; V306-R310 PolarHBondContact O-N 3.42Å
307	Q	91.9	Very high	93.4	Very high	44 Å²	44	91.9 Å²	91.9	21%	0.206	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.9	178.1	-51.9	-54.2	-25.6	0	0	112.3	E243 P305 H309	E243-Q307 PolarHBondContact O-NE2 2.73Å; P305-Q307 PolarHBondContact O-N 3.04Å; Q307-H309 VanDerWaalsContact C-N 3.31Å
308	Q	94.1	Very high	92.7	Very high	160 Å²	160	94.8 Å²	94.8	75%	0.748	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.5	175	-57.3	177.3	13.2	0	0	111.9	P305 V306	P305-Q308 HydrophobicContact CB-CB 4.39Å; P305-Q308 HydrophobicContact CB-CG 4.2Å; P305-Q308 WeakPolarHBondContact O-CB 3.34Å; P305-Q308 PolarHBondContact O-N 2.85Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.32Å
309	H	95.6	Very high	91.7	Very high	128 Å²	128	98.6 Å²	98.6	59%	0.593	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.2	178	-54.7	164.2	0	0	0	112.9	P305 V306 Q307 R311	P305-H309 PolarHBondContact O-N 3.45Å; V306-H309 PolarHBondContact O-N 2.9Å; V306-H309 VanDerWaalsContact O-N 3.16Å; Q307-H309 VanDerWaalsContact C-N 3.31Å; H309-R311 PolarHBondContact O-N 2.7Å
310	R	91	Very high	90	Very high	93 Å²	93	96.5 Å²	96.5	35%	0.351	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-63.8	131.2	177.6	-72.9	-171.2	178.2	-77.7	-12.9	110.1	V306	V306-R310 PolarHBondContact O-N 3.42Å
311	R	92.9	Very high	88	Confident	151 Å²	151	104.2 Å²	104.2	57%	0.57	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-73.1	157	168.4	-56.5	-67.2	-65	-155.4	-1.8	110	H309 F315 Y316	H309-R311 PolarHBondContact O-N 2.7Å; R311-F315 HydrophobicContact CB-CB 3.7Å; R311-F315 HydrophobicContact CB-CD1 3.78Å; R311-F315 HydrophobicContact CB-CG 3.74Å; R311-F315 HydrophobicContact CG-CB 4.44Å; R311-F315 HydrophobicContact CG-CD1 3.87Å; R311-F315 HydrophobicContact CG-CD2 4.39Å; R311-F315 HydrophobicContact CG-CE1 4.21Å; R311-F315 HydrophobicContact CG-CG 3.97Å; R311-Y316 HydrophobicContact CB-CE2 4.02Å
312	D	86.9	Confident	85.9	Confident	97 Å²	97	107 Å²	107	52%	0.519	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-60.8	165.9	170.7	59.5	57.3	0	0	0	112.1	A314 F315 Y316	D312-A314 PolarHBondContact O-N 2.84Å; D312-A314 WeakPolarHBondContact OD1-CA 3.47Å; D312-A314 VanDerWaalsContact OD1-CB 3.31Å; D312-A314 WeakPolarHBondContact OD1-CB 3.37Å; D312-A314 PolarHBondContact OD1-N 3.1Å; D312-F315 WeakPolarHBondContact O-CB 3.46Å; D312-F315 PolarHBondContact O-N 3.47Å; D312-F315 PolarHBondContact OD1-N 3.34Å; D312-Y316 VanDerWaalsContact O-CD2 3.3Å; D312-Y316 WeakPolarHBondContact O-CD2 3.47Å
313	T	83.5	Confident	83.5	Confident	105 Å²	105	104.6 Å²	104.6	64%	0.644	54%	0.543	S	S	*	.	H	α-helix	trans	-65.1	-28	179.3	47.5	0	0	0	0	112.8	F315 Y316 H317	T313-F315 VanDerWaalsContact C-N 3.3Å; T313-F315 PolarHBondContact O-N 2.72Å; T313-Y316 PolarHBondContact O-N 3.13Å; T313-H317 PolarHBondContact O-N 2.7Å
314	A	87.4	Confident	81	Confident	66 Å²	66	110 Å²	110	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-64.4	-36.6	178.8	0	0	0	0	0	111.5	D312 Y316 H317 S318	D312-A314 PolarHBondContact O-N 2.84Å; D312-A314 WeakPolarHBondContact OD1-CA 3.47Å; D312-A314 VanDerWaalsContact OD1-CB 3.31Å; D312-A314 WeakPolarHBondContact OD1-CB 3.37Å; D312-A314 PolarHBondContact OD1-N 3.1Å; A314-Y316 VanDerWaalsContact C-N 3.32Å; A314-Y316 PolarHBondContact O-N 3.27Å; A314-H317 CarbonylContact O-C 3.57Å; A314-H317 PolarHBondContact O-N 3Å; A314-S318 PolarHBondContact O-N 2.83Å
315	F	90.4	Very high	80.2	Confident	100 Å²	100	111.3 Å²	111.3	44%	0.439	58%	0.578	S	S	.	*	H	α-helix	trans	-55.6	-46.7	172.9	-178.5	-94.5	0	0	0	111.8	R311 D312 T313 S318	R311-F315 HydrophobicContact CB-CB 3.7Å; R311-F315 HydrophobicContact CB-CD1 3.78Å; R311-F315 HydrophobicContact CB-CG 3.74Å; R311-F315 HydrophobicContact CG-CB 4.44Å; R311-F315 HydrophobicContact CG-CD1 3.87Å; R311-F315 HydrophobicContact CG-CD2 4.39Å; R311-F315 HydrophobicContact CG-CE1 4.21Å; R311-F315 HydrophobicContact CG-CG 3.97Å; D312-F315 WeakPolarHBondContact O-CB 3.46Å; D312-F315 PolarHBondContact O-N 3.47Å; D312-F315 PolarHBondContact OD1-N 3.34Å; T313-F315 VanDerWaalsContact C-N 3.3Å; T313-F315 PolarHBondContact O-N 2.72Å; F315-S318 WeakPolarHBondContact O-CB 3.39Å; F315-S318 PolarHBondContact O-N 3.14Å; F315-S318 PolarHBondContact O-OG 3.14Å
316	Y	85.5	Confident	79.3	Confident	129 Å²	129	115.5 Å²	115.5	51%	0.506	60%	0.598	S	S	.	*	H	α-helix	trans	-75.2	-23.6	-179.5	-60.9	-74.9	0	0	0	113.3	R311 D312 T313 A314	R311-Y316 HydrophobicContact CB-CE2 4.02Å; D312-Y316 VanDerWaalsContact O-CD2 3.3Å; D312-Y316 WeakPolarHBondContact O-CD2 3.47Å; T313-Y316 PolarHBondContact O-N 3.13Å; A314-Y316 VanDerWaalsContact C-N 3.32Å; A314-Y316 PolarHBondContact O-N 3.27Å
317	H	86	Confident	78.4	Confident	119 Å²	119	119.3 Å²	119.3	55%	0.551	62%	0.615	S	S	*	*	H	α-helix	trans	-88	-4.4	174.9	-65.5	-179.6	0	0	0	113.7	T313 A314 M319 S320	T313-H317 PolarHBondContact O-N 2.7Å; A314-H317 CarbonylContact O-C 3.57Å; A314-H317 PolarHBondContact O-N 3Å; H317-M319 PolarHBondContact O-N 3.23Å; H317-S320 VanDerWaalsContact O-CB 3.28Å; H317-S320 WeakPolarHBondContact O-CB 3.39Å; H317-S320 PolarHBondContact O-N 3.33Å; H317-S320 PolarHBondContact O-OG 2.7Å
318	S	84.8	Confident	77.6	Confident	61 Å²	61	123.7 Å²	123.7	43%	0.427	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-61	-26.5	-179.1	63.9	0	0	0	0	113.3	A314 F315 S320 Q321 T322	A314-S318 PolarHBondContact O-N 2.83Å; F315-S318 WeakPolarHBondContact O-CB 3.39Å; F315-S318 PolarHBondContact O-N 3.14Å; F315-S318 PolarHBondContact O-OG 3.14Å; S318-S320 VanDerWaalsContact C-N 3.29Å; S318-S320 PolarHBondContact O-N 2.99Å; S318-Q321 PolarHBondContact O-N 3.08Å; S318-T322 PolarHBondContact O-OG1 2.93Å
319	M	75.3	Confident	76.6	Confident	153 Å²	153	121.4 Å²	121.4	75%	0.754	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-74.1	-18.2	175.6	-58.9	-149.4	-60.2	0	0	113.4	H317 Q321	H317-M319 PolarHBondContact O-N 3.23Å; M319-Q321 VanDerWaalsContact C-N 3.26Å; M319-Q321 PolarHBondContact O-N 3.31Å
320	S	62.4	Low	75.3	Confident	90 Å²	90	121 Å²	121	63%	0.629	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-75.5	-16.3	178.3	-42.4	0	0	0	0	112.7	H317 S318	H317-S320 VanDerWaalsContact O-CB 3.28Å; H317-S320 WeakPolarHBondContact O-CB 3.39Å; H317-S320 PolarHBondContact O-N 3.33Å; H317-S320 PolarHBondContact O-OG 2.7Å; S318-S320 VanDerWaalsContact C-N 3.29Å; S318-S320 PolarHBondContact O-N 2.99Å
321	Q	56.4	Low	74.2	Confident	175 Å²	175	123 Å²	123	82%	0.818	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-91.5	-6.1	179.6	-68.4	-173.8	-13.9	0	0	113.4	S318 M319	S318-Q321 PolarHBondContact O-N 3.08Å; M319-Q321 VanDerWaalsContact C-N 3.26Å; M319-Q321 PolarHBondContact O-N 3.31Å
322	T	54	Low	72.7	Confident	117 Å²	117	120.8 Å²	120.8	72%	0.718	66%	0.662	S	S	*	*	S	Bend	trans	-103.2	5.8	-175.8	-12.7	0	0	0	0	113.9	S318	S318-T322 PolarHBondContact O-OG1 2.93Å
323	C	48.7	Very low	71.6	Confident	116 Å²	116	122.8 Å²	122.8	78%	0.784	67%	0.674	S	S	*	*			trans	-110.3	79.1	169.4	-86.3	0	0	0	0	110.7
324	L	44.3	Very low	70.5	Confident	243 Å²	243	124.5 Å²	124.5	100%	1.272	68%	0.677	S	S	*	*			trans	-135.7	0	152	-84.5	174	0	0	0	108.2

Retrieved 324 of 324 residues in 666.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).