A0A077ZFJ5_TRITR Loading...

Serine protease

AlphaFold DB , UniProt , Accession A0A077ZFJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 290 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	38.9	Very low	37.5	Very low	231 Å²	231	166.3 Å²	166.3	100%	1.138	83%	0.834	S	S	*	*				0	103.9	0	-112.5	161.5	97.7	0	0	108
2	K	37.4	Very low	38	Very low	213 Å²	213	162.9 Å²	162.9	93%	0.926	83%	0.828	S	S	*	*			trans	-91.9	111.4	173.5	-77.4	-177.4	176.3	-179.5	0	107.2
3	L	36.4	Very low	38.3	Very low	149 Å²	149	164.2 Å²	164.2	78%	0.78	83%	0.825	S	S	*	*			trans	-88.6	111.1	179.3	-142.2	76.5	0	0	0	108.4	F5	L3-F5 PolarHBondContact O-N 3.19Å
4	N	35.6	Very low	38.6	Very low	149 Å²	149	162.7 Å²	162.7	80%	0.797	82%	0.82	S	S	*	*			trans	-71.8	117	168.4	-89.3	-24.4	0	0	0	108.5
5	F	39.6	Very low	39	Very low	198 Å²	198	163.3 Å²	163.3	87%	0.868	82%	0.818	S	S	*	*			trans	-114.6	107.2	164.3	-147.2	-96	0	0	0	107.7	L3	L3-F5 PolarHBondContact O-N 3.19Å
6	Q	34.3	Very low	39.5	Very low	158 Å²	158	159.8 Å²	159.8	74%	0.738	81%	0.807	S	S	*	*			trans	-118.7	142.8	-178.9	-114.2	-178.9	-15.7	0	0	107.9
7	L	32.2	Very low	40.1	Very low	129 Å²	129	158.1 Å²	158.1	68%	0.675	81%	0.806	S	S	*	*			trans	75.3	133	170.1	-56.4	125.8	0	0	0	114.4
8	F	39.5	Very low	40.8	Very low	183 Å²	183	155.9 Å²	155.9	80%	0.803	80%	0.802	S	S	*	*			cis	-148.6	130.9	39.4	-80.9	-106.1	0	0	0	110.6
9	F	37	Very low	41.1	Very low	226 Å²	226	149.8 Å²	149.8	99%	0.991	78%	0.782	S	S	*	*			trans	-94.9	100.1	163.6	-85.2	-89.4	0	0	0	108.6	A11	F9-A11 PolarHBondContact O-N 3.49Å
10	S	38.8	Very low	41.9	Very low	109 Å²	109	150.6 Å²	150.6	76%	0.762	79%	0.787	S	S	*	*			trans	-72.2	116.7	166.1	-85.1	0	0	0	0	109.5	V12	S10-V12 PolarHBondContact O-N 2.92Å
11	A	42.8	Very low	42.6	Very low	84 Å²	84	154.1 Å²	154.1	69%	0.694	79%	0.791	S	S	*	*			trans	-70.4	103.5	171.4	0	0	0	0	0	109.8	F9 F13	F9-A11 PolarHBondContact O-N 3.49Å; A11-F13 PolarHBondContact O-N 3.23Å
12	V	43.5	Very low	44	Very low	126 Å²	126	147.8 Å²	147.8	76%	0.764	76%	0.759	S	S	*	*			trans	-77.2	106.8	169.9	178.3	0	0	0	0	107.7	S10 L14	S10-V12 PolarHBondContact O-N 2.92Å; V12-L14 PolarHBondContact O-N 3.19Å
13	F	42.5	Very low	45.9	Very low	179 Å²	179	142 Å²	142	79%	0.785	73%	0.734	S	S	*	*			trans	-69.2	98.3	170	-78.8	-89.9	0	0	0	108.8	A11 H15	A11-F13 PolarHBondContact O-N 3.23Å; F13-H15 PolarHBondContact O-N 3.37Å; F13-H15 VanDerWaalsContact O-N 3.1Å
14	L	42.7	Very low	48.3	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	70%	0.703	S	S	*	*			trans	-71.4	101.3	172	-152.1	84.8	0	0	0	107.9	V12 V16	V12-L14 PolarHBondContact O-N 3.19Å; L14-V16 VanDerWaalsContact C-N 3.3Å; L14-V16 HydrophobicContact CD2-CG2 4.36Å; L14-V16 PolarHBondContact O-N 3.18Å
15	H	44.8	Very low	51	Low	172 Å²	172	132.5 Å²	132.5	80%	0.796	68%	0.68	S	S	*	*			trans	-65.5	93.8	165.8	-81.4	-75.1	0	0	0	108.2	F13 V17	F13-H15 PolarHBondContact O-N 3.37Å; F13-H15 VanDerWaalsContact O-N 3.1Å; H15-V17 PolarHBondContact O-N 2.53Å
16	V	46.7	Very low	53.7	Low	106 Å²	106	123.9 Å²	123.9	64%	0.642	64%	0.644	S	S	*	*			trans	-67.3	100.9	166.9	-179.7	0	0	0	0	106.3	L14 V18	L14-V16 VanDerWaalsContact C-N 3.3Å; L14-V16 HydrophobicContact CD2-CG2 4.36Å; L14-V16 PolarHBondContact O-N 3.18Å; V16-V18 HydrophobicContact CG1-CG2 3.85Å; V16-V18 PolarHBondContact O-N 3.49Å
17	V	49.1	Very low	56.6	Low	131 Å²	131	116.4 Å²	116.4	79%	0.794	61%	0.609	S	S	*	*			trans	-67.6	90.5	165.4	-178.8	0	0	0	0	105.9	H15 G19	H15-V17 PolarHBondContact O-N 2.53Å; V17-G19 PolarHBondContact O-N 3.37Å
18	V	52.2	Low	59.7	Low	119 Å²	119	115.5 Å²	115.5	72%	0.721	60%	0.596	S	S	*	*			trans	-70.3	87	164.9	-172.6	0	0	0	0	104.6	V16 D20	V16-V18 HydrophobicContact CG1-CG2 3.85Å; V16-V18 PolarHBondContact O-N 3.49Å; V18-D20 PolarHBondContact O-N 3.42Å
19	G	47.2	Very low	62.4	Low	41 Å²	41	107.7 Å²	107.7	42%	0.423	56%	0.564	S	S	.	*			trans	-54.7	129.2	170.9	0	0	0	0	0	107.5	V17 Y21	V17-G19 PolarHBondContact O-N 3.37Å; G19-Y21 VanDerWaalsContact C-N 3.28Å; G19-Y21 PolarHBondContact O-N 2.79Å
20	D	56.2	Low	65.2	Low	165 Å²	165	103.5 Å²	103.5	88%	0.882	54%	0.543	S	S	*	.			trans	-55.8	96.1	174.4	-78.6	-39.7	0	0	0	108.2	V18 Q22	V18-D20 PolarHBondContact O-N 3.42Å; D20-Q22 PolarHBondContact O-N 3.12Å
21	Y	57.1	Low	67.9	Low	224 Å²	224	100.4 Å²	100.4	88%	0.878	52%	0.515	S	S	*	.			trans	-70.9	100.1	-179.9	-115.3	-91.6	0	0	0	107	G19 F23	G19-Y21 VanDerWaalsContact C-N 3.28Å; G19-Y21 PolarHBondContact O-N 2.79Å; Y21-F23 PolarHBondContact O-N 3.26Å; Y21-F23 VanDerWaalsContact O-N 3.12Å
22	Q	67.5	Low	70.3	Confident	98 Å²	98	105.9 Å²	105.9	46%	0.458	52%	0.518	S	S	.	.			trans	-69.3	110.7	176.9	-166.9	176.8	-4.3	0	0	109	D20 Y24 N160	D20-Q22 PolarHBondContact O-N 3.12Å; Q22-Y24 HydrophobicContact CB-CE2 4.18Å; Q22-Y24 HydrophobicContact CG-CE1 4.46Å; Q22-Y24 HydrophobicContact CG-CE2 3.99Å; Q22-Y24 PolarHBondContact NE2-OH 2.78Å; Q22-Y24 WeakPolarHBondContact O-CD2 3.43Å; Q22-Y24 PolarHBondContact OE1-OH 3.03Å; Q22-N160 PolarHBondContact NE2-OD1 2.93Å
23	F	77.6	Confident	72.6	Confident	91 Å²	91	100.7 Å²	100.7	40%	0.399	49%	0.487	S	S	.	.			trans	-89.3	125.2	178.7	-178.4	-126.1	0	0	0	110.6	Y21 E25 K83	Y21-F23 PolarHBondContact O-N 3.26Å; Y21-F23 VanDerWaalsContact O-N 3.12Å; F23-E25 HydrophobicContact CD1-CG 3.72Å; F23-E25 HydrophobicContact CE1-CG 3.24Å; F23-E25 HydrophobicContact CZ-CG 3.91Å; F23-K83 HydrophobicContact CD2-CB 3.92Å; F23-K83 HydrophobicContact CD2-CD 3.87Å; F23-K83 HydrophobicContact CD2-CG 4.22Å; F23-K83 HydrophobicContact CE2-CB 3.53Å; F23-K83 HydrophobicContact CE2-CD 3.18Å; F23-K83 VanDerWaalsContact CE2-CE 3.48Å; F23-K83 HydrophobicContact CE2-CG 3.42Å; F23-K83 VanDerWaalsContact CE2-CG 3.42Å; F23-K83 HydrophobicContact CZ-CD 3.76Å; F23-K83 VanDerWaalsContact CZ-CE 3.46Å; F23-K83 HydrophobicContact CZ-CG 4.21Å
24	Y	87.7	Confident	74.7	Confident	35 Å²	35	97.8 Å²	97.8	14%	0.137	47%	0.471	C	S	.	.			trans	-103.4	101.3	178.6	-65.8	-87	0	0	0	109.7	Q22 Y158 S159 N160	Q22-Y24 HydrophobicContact CB-CE2 4.18Å; Q22-Y24 HydrophobicContact CG-CE1 4.46Å; Q22-Y24 HydrophobicContact CG-CE2 3.99Å; Q22-Y24 PolarHBondContact NE2-OH 2.78Å; Q22-Y24 WeakPolarHBondContact O-CD2 3.43Å; Q22-Y24 PolarHBondContact OE1-OH 3.03Å; Y24-Y158 HydrophobicContact CG-CD2 4.49Å; Y24-S159 VanDerWaalsContact CE1-O 3.28Å; Y24-S159 WeakPolarHBondContact CE1-O 3.5Å; Y24-S159 VanDerWaalsContact CZ-C 3.47Å; Y24-S159 VanDerWaalsContact OH-C 3.3Å; Y24-S159 WeakPolarHBondContact OH-CA 3.32Å; Y24-N160 PolarHBondContact OH-N 3.33Å; Y24-N160 PolarHBondContact OH-OD1 3.12Å
25	E	91.6	Very high	76.1	Confident	65 Å²	65	93 Å²	93	30%	0.304	45%	0.449	S	S	.	.			trans	-76.9	147	170.5	-69.1	177.1	-174.1	0	0	110.7	F23 R28	F23-E25 HydrophobicContact CD1-CG 3.72Å; F23-E25 HydrophobicContact CE1-CG 3.24Å; F23-E25 HydrophobicContact CZ-CG 3.91Å; E25-R28 HydrophobicContact CB-CG 4.22Å; E25-R28 PolarHBondContact O-N 2.79Å; E25-R28 VanDerWaalsContact OE2-CD 3.28Å; E25-R28 WeakPolarHBondContact OE2-CD 3.44Å; E25-R28 IonicContact OE2-CZ 2.81Å; E25-R28 IonicContact OE2-NE 2.92Å; E25-R28 PolarHBondContact OE2-NE 2.95Å; E25-R28 IonicContact OE2-NH1 3.17Å; E25-R28 PolarHBondContact OE2-NH1 3.15Å; E25-R28 VanDerWaalsContact OE2-NH1 3.17Å; E25-R28 IonicContact OE2-NH2 3.18Å; E25-R28 PolarHBondContact OE2-NH2 2.91Å
26	C	95.7	Very high	76.9	Confident	17 Å²	17	86.8 Å²	86.8	12%	0.115	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	145.6	171.9	75	0	0	0	0	111.8	R28 E77 P164 C166 Q248	C26-R28 PolarHBondContact O-N 2.85Å; C26-R28 VanDerWaalsContact O-N 3.11Å; C26-E77 HydrophobicContact CB-CB 4.49Å; C26-P164 WeakPolarHBondContact CA-O 3.44Å; C26-P164 HydrophobicContact CB-CG 4.11Å; C26-C166 HydrophobicContact CB-CB 4.01Å; C26-C166 WeakPolarHBondContact CB-SG 3.14Å; C26-C166 PolarHBondContact O-SG 3.4Å; C26-C166 WeakPolarHBondContact SG-CA 3.22Å; C26-C166 WeakPolarHBondContact SG-CB 3.27Å; C26-C166 CovalentContact SG-SG 2.05Å; C26-C166 PolarHBondContact SG-SG 3.28Å; C26-Q248 PolarHBondContact O-NE2 3.1Å
27	G	97	Very high	77.4	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	13.9	172.6	0	0	0	0	0	114.5	P29 P164 Q248 Y249	G27-P29 WeakPolarHBondContact O-CD 3.41Å; G27-P164 PolarHBondContact N-O 2.9Å; G27-Q248 CarbonylContact O-C 3.38Å; G27-Q248 WeakPolarHBondContact O-CA 3.48Å; G27-Y249 VanDerWaalsContact CA-O 3.24Å; G27-Y249 WeakPolarHBondContact CA-O 3.5Å; G27-Y249 WeakPolarHBondContact O-CD2 3.5Å; G27-Y249 PolarHBondContact O-N 3Å
28	R	96.2	Very high	77.3	Confident	110 Å²	110	91.6 Å²	91.6	42%	0.415	42%	0.424	S	S	.	.			trans	-116.1	83.8	179.1	-65.1	-159	178.8	-176.5	10.7	111.4	E25 C26 Q248	E25-R28 HydrophobicContact CB-CG 4.22Å; E25-R28 PolarHBondContact O-N 2.79Å; E25-R28 VanDerWaalsContact OE2-CD 3.28Å; E25-R28 WeakPolarHBondContact OE2-CD 3.44Å; E25-R28 IonicContact OE2-CZ 2.81Å; E25-R28 IonicContact OE2-NE 2.92Å; E25-R28 PolarHBondContact OE2-NE 2.95Å; E25-R28 IonicContact OE2-NH1 3.17Å; E25-R28 PolarHBondContact OE2-NH1 3.15Å; E25-R28 VanDerWaalsContact OE2-NH1 3.17Å; E25-R28 IonicContact OE2-NH2 3.18Å; E25-R28 PolarHBondContact OE2-NH2 2.91Å; C26-R28 PolarHBondContact O-N 2.85Å; C26-R28 VanDerWaalsContact O-N 3.11Å; R28-Q248 HydrophobicContact CG-CG 3.88Å
29	P	95.9	Very high	76.9	Confident	20 Å²	20	88.7 Å²	88.7	13%	0.13	41%	0.407	C	S	.	.			trans	-69.1	137.8	-179.9	30.7	-35.4	0	0	0	111	G27 F31 S52 P54 W55 Y249	G27-P29 WeakPolarHBondContact O-CD 3.41Å; P29-F31 VanDerWaalsContact C-N 3.35Å; P29-S52 WeakPolarHBondContact CB-O 3.21Å; P29-P54 HydrophobicContact CB-CG 3.92Å; P29-W55 HydrophobicContact CB-CH2 4.4Å; P29-W55 HydrophobicContact CB-CZ3 4.28Å; P29-W55 HydrophobicContact CG-CH2 4.12Å; P29-W55 HydrophobicContact CG-CZ3 4.35Å; P29-Y249 HydrophobicContact CG-CD2 4.16Å; P29-Y249 HydrophobicContact CG-CE2 4.07Å
30	Y	95.9	Very high	76.3	Confident	138 Å²	138	95.7 Å²	95.7	54%	0.541	43%	0.428	S	S	.	.	S	Bend	trans	-60.8	-45.9	174.1	-177.3	-92.5	0	0	0	110.9	N160	Y30-N160 HydrophobicContact CD1-CB 3.99Å; Y30-N160 VanDerWaalsContact CD2-OD1 3.25Å; Y30-N160 WeakPolarHBondContact CD2-OD1 3.19Å; Y30-N160 HydrophobicContact CG-CB 3.95Å
31	F	96	Very high	75.2	Confident	43 Å²	43	98.2 Å²	98.2	19%	0.189	43%	0.425	C	S	.	.	S	Bend	trans	-91.6	118.4	173.3	-55.6	-72.7	0	0	0	110.3	P29 H51 S52 N160 H161	P29-F31 VanDerWaalsContact C-N 3.35Å; F31-H51 HydrophobicContact CD2-CB 3.79Å; F31-H51 HydrophobicContact CE2-CB 4.13Å; F31-S52 WeakPolarHBondContact O-CA 3.28Å; F31-S52 VanDerWaalsContact O-CB 3.23Å; F31-S52 WeakPolarHBondContact O-CB 3.3Å; F31-N160 HydrophobicContact CE2-CB 4.13Å; F31-N160 WeakPolarHBondContact CE2-O 3.49Å; F31-H161 AromaticContact CE2-CD2 3.81Å; F31-H161 AromaticContact CE2-NE2 3.93Å
32	R	93.2	Very high	74.3	Confident	200 Å²	200	92.9 Å²	92.9	76%	0.755	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-70.7	136.2	-179.8	-64.2	-177.6	-176.9	171.9	2.5	111.7	R49	R32-R49 VanDerWaalsContact O-CD 3.26Å; R32-R49 WeakPolarHBondContact O-CD 3.38Å
33	P	92.1	Very high	73.2	Confident	16 Å²	16	93.9 Å²	93.9	10%	0.104	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-55.5	150	170.5	-28.2	36.3	0	0	0	112.4	F53 Y249	P33-F53 HydrophobicContact CB-CE1 4.45Å; P33-F53 HydrophobicContact CB-CE2 3.88Å; P33-F53 HydrophobicContact CB-CZ 3.67Å; P33-F53 HydrophobicContact CG-CE1 4.06Å; P33-F53 HydrophobicContact CG-CE2 4.01Å; P33-F53 HydrophobicContact CG-CZ 3.73Å; P33-Y249 HydrophobicContact CG-CE1 4.41Å; P33-Y249 HydrophobicContact CG-CE2 4.35Å
34	R	85.5	Confident	72.4	Confident	119 Å²	119	90.7 Å²	90.7	45%	0.449	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-71.5	130.7	169.8	-69.2	175.6	176.4	157.7	-4.2	107.9	E47 R49 Q200	R34-E47 PolarHBondContact NH1-O 3.02Å; R34-R49 HydrophobicContact CG-CB 4.27Å; R34-Q200 PolarHBondContact O-NE2 3.1Å
35	S	72.2	Confident	71.7	Confident	43 Å²	43	89.7 Å²	89.7	30%	0.301	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-80.6	139.5	167.2	172.8	0	0	0	0	109.2	L37 Y38	S35-L37 PolarHBondContact O-N 3.46Å; S35-L37 PolarHBondContact OG-N 3.12Å; S35-Y38 PolarHBondContact O-N 2.85Å
36	E	61.8	Low	71.4	Confident	41 Å²	41	87 Å²	87	19%	0.192	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-65.4	-15.2	177.5	-70.6	-168.6	171.1	0	0	113.6	Y38 T39 E202 K230	E36-Y38 PolarHBondContact O-N 2.9Å; E36-T39 PolarHBondContact O-N 3.1Å; E36-E202 HydrophobicContact CB-CB 4.48Å; E36-E202 HydrophobicContact CG-CB 3.74Å; E36-E202 PolarHBondContact N-OE2 2.88Å; E36-E202 PolarHBondContact OE1-N 2.9Å; E36-K230 VanDerWaalsContact CD-NZ 3.34Å; E36-K230 IonicContact OE1-NZ 3.42Å; E36-K230 PolarHBondContact OE1-NZ 2.76Å; E36-K230 IonicContact OE2-NZ 2.53Å; E36-K230 PolarHBondContact OE2-NZ 3.02Å
37	L	56.7	Low	71.2	Confident	145 Å²	145	89.7 Å²	89.7	76%	0.759	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-55.2	-16.6	171.8	-70.6	172.4	0	0	0	112.9	S35	S35-L37 PolarHBondContact O-N 3.46Å; S35-L37 PolarHBondContact OG-N 3.12Å
38	Y	48	Very low	71	Confident	194 Å²	194	89.7 Å²	89.7	76%	0.761	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-111.2	6.1	-177	-65.1	-79.2	0	0	0	115.4	S35 E36	S35-Y38 PolarHBondContact O-N 2.85Å; E36-Y38 PolarHBondContact O-N 2.9Å
39	T	43.8	Very low	70.9	Confident	57 Å²	57	89.3 Å²	89.3	35%	0.35	41%	0.414	S	S	.	.			trans	-126.2	110.9	-179.2	60.3	0	0	0	0	112.6	E36 R41	E36-T39 PolarHBondContact O-N 3.1Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 2.79Å
40	H	34.7	Very low	70.9	Confident	188 Å²	188	90.7 Å²	90.7	87%	0.87	42%	0.423	S	S	*	.			trans	-88.8	7.9	-176.9	-72	55.5	0	0	0	114.4
41	R	33.6	Very low	71	Confident	219 Å²	219	85.5 Å²	85.5	83%	0.826	40%	0.404	S	S	*	.			trans	-132.4	126.4	171.2	-78.3	-179.1	172.8	119.5	-2.3	104.9	T39	T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 2.79Å
42	I	37	Very low	71	Confident	111 Å²	111	83.5 Å²	83.5	57%	0.569	40%	0.395	S	S	*	.				169.7	137.3	118.8	-53.8	-140.5	0	0	0	107.2	G45	I42-G45 WeakPolarHBondContact CB-O 3.5Å; I42-G45 WeakPolarHBondContact CG2-O 3.23Å
43	V	44.6	Very low	71.3	Confident	120 Å²	120	74.1 Å²	74.1	73%	0.727	36%	0.36	S	S	*	.	S	Bend	trans	-85.5	123.7	168.8	179.5	0	0	0	0	108.1	K229	V43-K229 HydrophobicContact CG1-CB 4.41Å
44	G	60.3	Low	71.5	Confident	24 Å²	24	73.5 Å²	73.5	25%	0.247	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	107.3	-49.5	176.4	0	0	0	0	0	115	V201 K229	G44-V201 WeakPolarHBondContact O-CB 3.15Å; G44-V201 WeakPolarHBondContact O-CG2 3.43Å; G44-K229 WeakPolarHBondContact CA-O 3.02Å; G44-K229 PolarHBondContact N-O 2.78Å; G44-K229 VanDerWaalsContact N-O 3.12Å
45	G	73.6	Confident	72.2	Confident	13 Å²	13	67.9 Å²	67.9	13%	0.134	33%	0.334	C	S	.	.			trans	169.6	-175.1	-173.4	0	0	0	0	0	110.3	I42 Q200	I42-G45 WeakPolarHBondContact CB-O 3.5Å; I42-G45 WeakPolarHBondContact CG2-O 3.23Å; G45-Q200 CarbonylContact C-O 3.5Å; G45-Q200 WeakPolarHBondContact CA-O 3.01Å
46	S	85.5	Confident	73.4	Confident	10 Å²	10	66 Å²	66	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	162.8	176.6	61.7	0	0	0	0	111.6	A48 K199 Q200	S46-A48 PolarHBondContact O-N 3.15Å; S46-A48 VanDerWaalsContact O-N 3.16Å; S46-K199 CarbonylContact O-C 3.55Å; S46-K199 VanDerWaalsContact O-CA 3.28Å; S46-K199 WeakPolarHBondContact O-CA 3.33Å; S46-Q200 PolarHBondContact N-O 2.87Å; S46-Q200 PolarHBondContact O-N 3.04Å
47	E	90.8	Very high	75.2	Confident	73 Å²	73	64.1 Å²	64.1	34%	0.341	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	122.9	172	-168.6	-167.8	159.3	0	0	109.6	R34 H115 L197	R34-E47 PolarHBondContact NH1-O 3.02Å; E47-H115 IonicContact OE1-CD2 3.82Å; E47-H115 IonicContact OE1-CE1 3.21Å; E47-H115 IonicContact OE1-NE2 2.74Å; E47-H115 PolarHBondContact OE1-NE2 3.3Å; E47-L197 HydrophobicContact CG-CB 4.09Å; E47-L197 HydrophobicContact CG-CD1 4.26Å
48	A	92.8	Very high	77.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61.6	148.3	174.1	0	0	0	0	0	109.2	S46 P50 F53 H115 L198 Q200	S46-A48 PolarHBondContact O-N 3.15Å; S46-A48 VanDerWaalsContact O-N 3.16Å; A48-P50 WeakPolarHBondContact O-CD 3.17Å; A48-F53 HydrophobicContact CB-CD2 4.13Å; A48-F53 HydrophobicContact CB-CE2 4.17Å; A48-H115 PolarHBondContact O-CE1 3.17Å; A48-H115 VanDerWaalsContact O-CE1 3.22Å; A48-L198 HydrophobicContact CB-CB 4.46Å; A48-L198 HydrophobicContact CB-CD2 4.18Å; A48-L198 HydrophobicContact CB-CG 4.12Å; A48-L198 WeakPolarHBondContact CB-O 3.43Å; A48-L198 PolarHBondContact N-O 3.37Å; A48-Q200 HydrophobicContact CB-CB 4.14Å; A48-Q200 HydrophobicContact CB-CG 4.06Å
49	R	94.9	Very high	79.5	Confident	102 Å²	102	48.3 Å²	48.3	39%	0.385	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-59.6	130.3	165.8	176.6	-176.3	-177.4	173.7	2.5	107.1	R32 R34 H51 S52	R32-R49 VanDerWaalsContact O-CD 3.26Å; R32-R49 WeakPolarHBondContact O-CD 3.38Å; R34-R49 HydrophobicContact CG-CB 4.27Å; R49-H51 PolarHBondContact O-N 2.92Å; R49-S52 VanDerWaalsContact O-CB 3.25Å; R49-S52 WeakPolarHBondContact O-CB 3.37Å; R49-S52 PolarHBondContact O-N 2.83Å; R49-S52 PolarHBondContact O-OG 2.82Å
50	P	96.4	Very high	82	Confident	48 Å²	48	47 Å²	47	31%	0.312	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	130	178.7	-28.8	32.3	0	0	0	111.5	A48 S52 H115	A48-P50 WeakPolarHBondContact O-CD 3.17Å; P50-S52 PolarHBondContact O-N 2.04Å; P50-S52 VanDerWaalsContact O-N 3.14Å; P50-H115 HydrophobicContact CB-CB 4.31Å
51	H	97.3	Very high	84.9	Confident	30 Å²	30	38.4 Å²	38.4	14%	0.139	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	17.9	178.4	-39.8	-69.4	0	0	0	116.1	F31 R49 F53 G113 E122 S124 H161	F31-H51 HydrophobicContact CD2-CB 3.79Å; F31-H51 HydrophobicContact CE2-CB 4.13Å; R49-H51 PolarHBondContact O-N 2.92Å; H51-F53 VanDerWaalsContact C-N 3.26Å; H51-F53 PolarHBondContact O-N 3.02Å; H51-G113 PolarHBondContact CE1-O 3.19Å; H51-G113 VanDerWaalsContact CE1-O 3.3Å; H51-G113 PolarHBondContact ND1-O 3.17Å; H51-E122 IonicContact CE1-OE1 3.74Å; H51-E122 PolarHBondContact CE1-OE1 3.04Å; H51-E122 VanDerWaalsContact CE1-OE1 3.31Å; H51-S124 PolarHBondContact CE1-OG 3.09Å; H51-H161 HydrophobicContact CB-CB 4.27Å; H51-H161 AromaticContact CD2-CD2 3.35Å; H51-H161 PolarHBondContact CD2-CD2 2.89Å; H51-H161 AromaticContact CG-CD2 3.35Å; H51-H161 AromaticContact ND1-CD2 3.81Å; H51-H161 AromaticContact NE2-CD2 3.84Å
52	S	97	Very high	87.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-76.9	-11.3	175.8	60.5	0	0	0	0	114.9	P29 F31 R49 P50 P54	P29-S52 WeakPolarHBondContact CB-O 3.21Å; F31-S52 WeakPolarHBondContact O-CA 3.28Å; F31-S52 VanDerWaalsContact O-CB 3.23Å; F31-S52 WeakPolarHBondContact O-CB 3.3Å; R49-S52 VanDerWaalsContact O-CB 3.25Å; R49-S52 WeakPolarHBondContact O-CB 3.37Å; R49-S52 PolarHBondContact O-N 2.83Å; R49-S52 PolarHBondContact O-OG 2.82Å; P50-S52 PolarHBondContact O-N 2.04Å; P50-S52 VanDerWaalsContact O-N 3.14Å; S52-P54 VanDerWaalsContact C-CD 3.43Å; S52-P54 WeakPolarHBondContact O-CD 3.28Å
53	F	98	Very high	90.3	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.018	16%	0.157	C	C	.	.	S	Bend	trans	-122.7	68.2	171.1	-62.2	-92.2	0	0	0	109	P33 A48 H51 W55 Q56 F181 T183 L198 Q200 V242	P33-F53 HydrophobicContact CB-CE1 4.45Å; P33-F53 HydrophobicContact CB-CE2 3.88Å; P33-F53 HydrophobicContact CB-CZ 3.67Å; P33-F53 HydrophobicContact CG-CE1 4.06Å; P33-F53 HydrophobicContact CG-CE2 4.01Å; P33-F53 HydrophobicContact CG-CZ 3.73Å; A48-F53 HydrophobicContact CB-CD2 4.13Å; A48-F53 HydrophobicContact CB-CE2 4.17Å; H51-F53 VanDerWaalsContact C-N 3.26Å; H51-F53 PolarHBondContact O-N 3.02Å; F53-W55 AromaticContact CD1-CZ2 3.74Å; F53-W55 HydrophobicContact CD1-CZ2 3.74Å; F53-W55 PolarHBondContact O-N 3.2Å; F53-Q56 HydrophobicContact CB-CB 4.31Å; F53-Q56 WeakPolarHBondContact O-CB 3.41Å; F53-Q56 PolarHBondContact O-N 3.03Å; F53-F181 HydrophobicContact CE1-CB 3.67Å; F53-F181 HydrophobicContact CE1-CD2 4.44Å; F53-F181 HydrophobicContact CE1-CG 4.04Å; F53-F181 HydrophobicContact CZ-CB 3.85Å; F53-F181 HydrophobicContact CZ-CD1 4.16Å; F53-F181 AromaticContact CZ-CG 3.92Å; F53-F181 HydrophobicContact CZ-CG 3.92Å; F53-T183 HydrophobicContact CB-CG2 4.28Å; F53-T183 HydrophobicContact CD1-CG2 3.68Å; F53-T183 HydrophobicContact CD2-CG2 3.58Å; F53-T183 HydrophobicContact CE1-CG2 3.79Å; F53-T183 HydrophobicContact CE2-CG2 3.67Å; F53-T183 HydrophobicContact CG-CG2 3.57Å; F53-T183 HydrophobicContact CZ-CG2 3.77Å; F53-L198 HydrophobicContact CB-CD2 4.48Å; F53-Q200 HydrophobicContact CE2-CB 3.89Å; F53-Q200 HydrophobicContact CE2-CG 4.38Å; F53-Q200 HydrophobicContact CZ-CB 4.13Å; F53-V242 HydrophobicContact CD1-CG2 4.21Å; F53-V242 HydrophobicContact CE1-CG2 4.03Å
54	P	98	Very high	92.4	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.019	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.6	-168.8	31.4	-39.5	0	0	0	113.9	P29 S52 H161 V162 S163	P29-P54 HydrophobicContact CB-CG 3.92Å; S52-P54 VanDerWaalsContact C-CD 3.43Å; S52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-H161 WeakPolarHBondContact CB-O 3.44Å; P54-V162 WeakPolarHBondContact O-CA 3.48Å; P54-S163 CarbonylContact C-O 3.53Å; P54-S163 WeakPolarHBondContact CG-OG 3.39Å; P54-S163 PolarHBondContact O-N 3.36Å
55	W	98.5	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-18.7	171.2	46.8	80.7	0	0	0	113.3	P29 F53 V57 S74 I75 S163 V165 V242 Y249	P29-W55 HydrophobicContact CB-CH2 4.4Å; P29-W55 HydrophobicContact CB-CZ3 4.28Å; P29-W55 HydrophobicContact CG-CH2 4.12Å; P29-W55 HydrophobicContact CG-CZ3 4.35Å; F53-W55 AromaticContact CD1-CZ2 3.74Å; F53-W55 HydrophobicContact CD1-CZ2 3.74Å; F53-W55 PolarHBondContact O-N 3.2Å; W55-V57 PolarHBondContact O-N 3.18Å; W55-S74 CarbonylContact O-C 3.51Å; W55-S74 VanDerWaalsContact O-CA 3.29Å; W55-S74 WeakPolarHBondContact O-CA 3.42Å; W55-I75 HydrophobicContact CB-CB 4.34Å; W55-I75 PolarHBondContact O-N 3.23Å; W55-S163 WeakPolarHBondContact CA-O 3.32Å; W55-S163 VanDerWaalsContact CB-O 3.29Å; W55-S163 WeakPolarHBondContact CB-O 3.39Å; W55-S163 PolarHBondContact N-O 3.3Å; W55-S163 VanDerWaalsContact N-O 3.16Å; W55-V165 HydrophobicContact CB-CB 3.98Å; W55-V165 HydrophobicContact CB-CG1 4.43Å; W55-V165 HydrophobicContact CD2-CB 3.69Å; W55-V165 HydrophobicContact CD2-CG2 4.1Å; W55-V165 HydrophobicContact CE3-CB 4.03Å; W55-V165 HydrophobicContact CE3-CG2 4.44Å; W55-V165 HydrophobicContact CG-CB 3.65Å; W55-V165 HydrophobicContact CG-CG1 4.37Å; W55-V165 HydrophobicContact CG-CG2 4.4Å; W55-V242 HydrophobicContact CZ2-CB 4.49Å; W55-V242 HydrophobicContact CZ2-CG1 4.37Å; W55-V242 HydrophobicContact CZ2-CG2 4.05Å; W55-Y249 VanDerWaalsContact CH2-CB 3.48Å; W55-Y249 AromaticContact CH2-CD2 3.9Å; W55-Y249 HydrophobicContact CH2-CD2 3.9Å; W55-Y249 AromaticContact CH2-CG 3.72Å; W55-Y249 HydrophobicContact CH2-CG 3.72Å; W55-Y249 HydrophobicContact CZ2-CD1 4.49Å; W55-Y249 HydrophobicContact CZ2-CG 4.08Å
56	Q	98.6	Very high	94.1	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.9	-179.1	179.2	71.6	51.3	0	0	109.4	F53 T183 W185 L198 S239	F53-Q56 HydrophobicContact CB-CB 4.31Å; F53-Q56 WeakPolarHBondContact O-CB 3.41Å; F53-Q56 PolarHBondContact O-N 3.03Å; Q56-T183 PolarHBondContact OE1-O 3.06Å; Q56-T183 PolarHBondContact OE1-OG1 3.43Å; Q56-W185 HydrophobicContact CG-CH2 3.7Å; Q56-W185 HydrophobicContact CG-CZ3 3.7Å; Q56-L198 HydrophobicContact CG-CD1 3.88Å; Q56-L198 HydrophobicContact CG-CD2 4.43Å; Q56-S239 PolarHBondContact NE2-OG 3.13Å
57	V	98.4	Very high	94.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.2	170.7	-54.7	0	0	0	0	110.6	W55 G72 G73 I75 I89 I110 V111 A112	W55-V57 PolarHBondContact O-N 3.18Å; V57-G72 WeakPolarHBondContact O-CA 3.38Å; V57-G73 PolarHBondContact N-O 2.5Å; V57-G73 PolarHBondContact O-N 3.39Å; V57-G73 VanDerWaalsContact O-N 3.15Å; V57-I75 HydrophobicContact CG1-CD1 3.95Å; V57-I75 HydrophobicContact CG1-CG1 3.69Å; V57-I89 HydrophobicContact CG1-CD1 4.12Å; V57-I89 HydrophobicContact CG2-CD1 4.26Å; V57-I89 HydrophobicContact CG2-CG2 3.68Å; V57-I110 HydrophobicContact CG2-CG2 4.31Å; V57-V111 WeakPolarHBondContact CA-O 3.07Å; V57-V111 WeakPolarHBondContact CB-O 3.04Å; V57-A112 HydrophobicContact CG1-CB 3.95Å
58	Q	97.4	Very high	94.2	Very high	6 Å²	6	48 Å²	48	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.6	164.2	-174.7	180	52.9	0	0	109	K60 I110 V111 W185	Q58-K60 HydrophobicContact CG-CG 4.27Å; Q58-I110 CarbonylContact O-C 3.58Å; Q58-I110 VanDerWaalsContact O-CA 3.31Å; Q58-I110 WeakPolarHBondContact O-CA 3.43Å; Q58-V111 HydrophobicContact CB-CB 4.24Å; Q58-V111 PolarHBondContact N-O 3.43Å; Q58-V111 PolarHBondContact O-N 2.65Å; Q58-W185 HydrophobicContact CB-CE3 4.23Å; Q58-W185 HydrophobicContact CB-CH2 4.35Å; Q58-W185 HydrophobicContact CB-CZ3 3.85Å
59	L	97.9	Very high	94.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.6	169.3	178	62.3	0	0	0	109.3	T70 C71 T91 C95 L96 L108 I110 L150	L59-T70 WeakPolarHBondContact O-CA 2.95Å; L59-C71 HydrophobicContact CB-CB 4.16Å; L59-C71 HydrophobicContact CD2-CB 4.21Å; L59-C71 PolarHBondContact N-O 3.31Å; L59-C71 PolarHBondContact O-N 3.22Å; L59-T91 HydrophobicContact CD2-CG2 4.21Å; L59-C95 HydrophobicContact CD2-CB 4.17Å; L59-L96 HydrophobicContact CD2-CD2 3.94Å; L59-L108 HydrophobicContact CD1-CB 4.41Å; L59-L108 HydrophobicContact CD1-CD2 4.27Å; L59-I110 HydrophobicContact CD1-CG2 3.88Å; L59-L150 HydrophobicContact CD1-CD1 3.86Å; L59-L150 HydrophobicContact CD2-CD1 4.31Å
60	K	96.1	Very high	94	Very high	29 Å²	29	48.8 Å²	48.8	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.7	175.1	-62	-173.5	-179.1	-177.7	0	109.7	Q58 Y62 Y68 L108 K109 V111	Q58-K60 HydrophobicContact CG-CG 4.27Å; K60-Y62 HydrophobicContact CB-CD2 4.19Å; K60-Y62 HydrophobicContact CB-CE2 3.56Å; K60-Y62 HydrophobicContact CD-CE2 4.26Å; K60-Y62 WeakPolarHBondContact CD-OH 3.49Å; K60-Y68 HydrophobicContact CB-CD2 4.13Å; K60-Y68 HydrophobicContact CD-CD2 4.13Å; K60-Y68 HydrophobicContact CD-CE2 3.91Å; K60-Y68 HydrophobicContact CG-CD2 4.03Å; K60-Y68 HydrophobicContact CG-CE2 4.12Å; K60-L108 WeakPolarHBondContact O-CA 3.14Å; K60-K109 PolarHBondContact N-O 2.02Å; K60-K109 PolarHBondContact O-N 3.03Å; K60-V111 HydrophobicContact CD-CG2 4.26Å
61	L	96.1	Very high	94	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.6	171.2	169.6	61.9	0	0	0	109.2	Y63 Y68 H69 S103 A107 L108	L61-Y63 HydrophobicContact CD2-CE1 4.2Å; L61-Y63 HydrophobicContact CG-CE1 4.49Å; L61-Y68 CarbonylContact O-C 3.59Å; L61-Y68 WeakPolarHBondContact O-CA 3.42Å; L61-Y68 WeakPolarHBondContact O-CB 3.24Å; L61-H69 HydrophobicContact CB-CB 4.41Å; L61-H69 PolarHBondContact N-O 2.85Å; L61-H69 PolarHBondContact O-N 2.96Å; L61-S103 VanDerWaalsContact CD1-CB 3.48Å; L61-S103 WeakPolarHBondContact CD1-OG 2.94Å; L61-S103 WeakPolarHBondContact CD2-OG 3.32Å; L61-A107 HydrophobicContact CD1-CB 3.88Å; L61-L108 HydrophobicContact CB-CD2 3.99Å; L61-L108 HydrophobicContact CD1-CD2 3.61Å; L61-L108 HydrophobicContact CG-CD2 4.36Å
62	Y	94.7	Very high	94	Very high	58 Å²	58	45.2 Å²	45.2	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.9	-178.2	-70.4	-94.8	0	0	0	111.6	K60 Y68 A107 K109	K60-Y62 HydrophobicContact CB-CD2 4.19Å; K60-Y62 HydrophobicContact CB-CE2 3.56Å; K60-Y62 HydrophobicContact CD-CE2 4.26Å; K60-Y62 WeakPolarHBondContact CD-OH 3.49Å; Y62-Y68 HydrophobicContact CD1-CD1 4.24Å; Y62-Y68 HydrophobicContact CD1-CG 4.32Å; Y62-Y68 AromaticContact CE1-CD1 3.85Å; Y62-Y68 HydrophobicContact CE1-CD1 3.85Å; Y62-Y68 HydrophobicContact CE1-CG 4.12Å; Y62-A107 PolarHBondContact N-O 2.79Å; Y62-K109 HydrophobicContact CD2-CD 4.45Å; Y62-K109 HydrophobicContact CD2-CG 4.4Å; Y62-K109 HydrophobicContact CE2-CB 4.17Å; Y62-K109 HydrophobicContact CE2-CD 3.75Å; Y62-K109 HydrophobicContact CE2-CG 3.98Å
63	Y	89.9	Confident	94	Very high	115 Å²	115	45.2 Å²	45.2	45%	0.451	22%	0.217	S	C	.	.	S	Bend	trans	-88.8	-34.1	168.3	-56.6	-72.4	0	0	0	111.6	L61 R67 H69 D98	L61-Y63 HydrophobicContact CD2-CE1 4.2Å; L61-Y63 HydrophobicContact CG-CE1 4.49Å; Y63-R67 PolarHBondContact N-O 3.07Å; Y63-H69 HydrophobicContact CE2-CB 3.73Å; Y63-D98 WeakPolarHBondContact CE1-OD2 3.45Å; Y63-D98 PolarHBondContact OH-OD2 2.82Å
64	T	88	Confident	94.1	Very high	57 Å²	57	45 Å²	45	35%	0.35	22%	0.217	S	C	.	.	S	Bend	trans	-142.1	176.2	170.6	72.6	0	0	0	0	108.8	L66 R67	T64-L66 PolarHBondContact O-N 3.07Å; T64-L66 VanDerWaalsContact O-N 3.16Å; T64-L66 PolarHBondContact OG1-N 3.12Å; T64-R67 PolarHBondContact N-O 3.18Å; T64-R67 VanDerWaalsContact N-O 3.11Å; T64-R67 PolarHBondContact O-N 3.1Å; T64-R67 PolarHBondContact OG1-N 3.48Å
65	S	84.4	Confident	94.1	Very high	109 Å²	109	44.9 Å²	44.9	76%	0.762	22%	0.216	S	C	*	.	S	Bend	trans	-58.3	-25.4	174.2	52.5	0	0	0	0	113.8
66	L	85.6	Confident	94.1	Very high	151 Å²	151	45 Å²	45	79%	0.791	22%	0.216	S	C	*	.	S	Bend	trans	-106	-24.5	-177.8	-62.9	176.4	0	0	0	113.8	T64	T64-L66 PolarHBondContact O-N 3.07Å; T64-L66 VanDerWaalsContact O-N 3.16Å; T64-L66 PolarHBondContact OG1-N 3.12Å
67	R	88.7	Confident	93.9	Very high	173 Å²	173	47.8 Å²	47.8	65%	0.653	23%	0.229	S	C	*	.			trans	-112.6	122.4	-175.3	-65	-166.8	-63.4	174.6	-2.8	111	Y63 T64	Y63-R67 PolarHBondContact N-O 3.07Å; T64-R67 PolarHBondContact N-O 3.18Å; T64-R67 VanDerWaalsContact N-O 3.11Å; T64-R67 PolarHBondContact O-N 3.1Å; T64-R67 PolarHBondContact OG1-N 3.48Å
68	Y	89.7	Confident	93.5	Very high	108 Å²	108	48 Å²	48	42%	0.424	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.5	175.2	61.4	-86	0	0	0	111.3	K60 L61 Y62 T70	K60-Y68 HydrophobicContact CB-CD2 4.13Å; K60-Y68 HydrophobicContact CD-CD2 4.13Å; K60-Y68 HydrophobicContact CD-CE2 3.91Å; K60-Y68 HydrophobicContact CG-CD2 4.03Å; K60-Y68 HydrophobicContact CG-CE2 4.12Å; L61-Y68 CarbonylContact O-C 3.59Å; L61-Y68 WeakPolarHBondContact O-CA 3.42Å; L61-Y68 WeakPolarHBondContact O-CB 3.24Å; Y62-Y68 HydrophobicContact CD1-CD1 4.24Å; Y62-Y68 HydrophobicContact CD1-CG 4.32Å; Y62-Y68 AromaticContact CE1-CD1 3.85Å; Y62-Y68 HydrophobicContact CE1-CD1 3.85Å; Y62-Y68 HydrophobicContact CE1-CG 4.12Å; Y68-T70 HydrophobicContact CD2-CG2 3.71Å; Y68-T70 HydrophobicContact CE2-CG2 3.5Å; Y68-T70 VanDerWaalsContact CE2-CG2 3.5Å
69	H	90.3	Very high	93	Very high	76 Å²	76	51.9 Å²	51.9	35%	0.352	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150.5	166.5	178.5	-101.1	0	0	0	109.7	L61 Y63 C71	L61-H69 HydrophobicContact CB-CB 4.41Å; L61-H69 PolarHBondContact N-O 2.85Å; L61-H69 PolarHBondContact O-N 2.96Å; Y63-H69 HydrophobicContact CE2-CB 3.73Å; H69-C71 VanDerWaalsContact CE1-SG 3.58Å
70	T	92.7	Very high	92.2	Very high	43 Å²	43	56.2 Å²	56.2	26%	0.264	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.8	179.3	54.6	0	0	0	0	111.4	L59 Y68	L59-T70 WeakPolarHBondContact O-CA 2.95Å; Y68-T70 HydrophobicContact CD2-CG2 3.71Å; Y68-T70 HydrophobicContact CE2-CG2 3.5Å; Y68-T70 VanDerWaalsContact CE2-CG2 3.5Å
71	C	96	Very high	91.1	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	172.6	165.2	-86.6	0	0	0	0	109.3	L59 H69 C95 S237	L59-C71 HydrophobicContact CB-CB 4.16Å; L59-C71 HydrophobicContact CD2-CB 4.21Å; L59-C71 PolarHBondContact N-O 3.31Å; L59-C71 PolarHBondContact O-N 3.22Å; H69-C71 VanDerWaalsContact CE1-SG 3.58Å; C71-C95 HydrophobicContact CB-CB 3.7Å; C71-C95 WeakPolarHBondContact CB-SG 3.35Å; C71-C95 WeakPolarHBondContact SG-CB 3.25Å; C71-C95 CovalentContact SG-SG 2.03Å; C71-C95 PolarHBondContact SG-SG 2.86Å; C71-S237 CarbonylContact C-O 3.52Å; C71-S237 WeakPolarHBondContact CA-O 3.4Å; C71-S237 VanDerWaalsContact CB-O 3.24Å; C71-S237 WeakPolarHBondContact CB-O 3.29Å
72	G	97	Very high	89.8	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	176.9	162.9	0	0	0	0	0	113.5	V57 T91 S237 G238 S239	V57-G72 WeakPolarHBondContact O-CA 3.38Å; G72-T91 PolarHBondContact O-OG1 2.05Å; G72-S237 PolarHBondContact N-O 3.16Å; G72-G238 CarbonylContact O-C 3.56Å; G72-S239 WeakPolarHBondContact CA-OG 3.24Å
73	G	98.7	Very high	88.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	176.4	172.6	0	0	0	0	0	109.6	V57 L90 G238	V57-G73 PolarHBondContact N-O 2.5Å; V57-G73 PolarHBondContact O-N 3.39Å; V57-G73 VanDerWaalsContact O-N 3.15Å; G73-L90 CarbonylContact C-O 3.51Å; G73-L90 VanDerWaalsContact CA-O 3.29Å; G73-L90 WeakPolarHBondContact CA-O 3.32Å; G73-G238 WeakPolarHBondContact CA-O 3.37Å
74	S	98.9	Very high	88.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.1	-176.2	39.8	0	0	0	0	110.8	W55 I76 I89 L90 Q251	W55-S74 CarbonylContact O-C 3.51Å; W55-S74 VanDerWaalsContact O-CA 3.29Å; W55-S74 WeakPolarHBondContact O-CA 3.42Å; S74-I76 PolarHBondContact O-N 2.92Å; S74-I89 CarbonylContact O-C 3.57Å; S74-I89 VanDerWaalsContact O-CA 3.31Å; S74-I89 WeakPolarHBondContact O-CA 3.18Å; S74-L90 PolarHBondContact N-O 2.88Å; S74-L90 PolarHBondContact O-N 2.81Å; S74-L90 PolarHBondContact OG-O 2.79Å; S74-Q251 PolarHBondContact OG-NE2 2.63Å; S74-Q251 PolarHBondContact OG-OE1 2.97Å
75	I	98.7	Very high	89.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.4	169.7	-56.5	169.4	0	0	0	107.8	W55 V57 I89 A112 Y158 V162 P164 V165	W55-I75 HydrophobicContact CB-CB 4.34Å; W55-I75 PolarHBondContact O-N 3.23Å; V57-I75 HydrophobicContact CG1-CD1 3.95Å; V57-I75 HydrophobicContact CG1-CG1 3.69Å; I75-I89 HydrophobicContact CB-CD1 4.29Å; I75-I89 HydrophobicContact CG1-CD1 3.57Å; I75-A112 HydrophobicContact CD1-CB 4.27Å; I75-Y158 HydrophobicContact CG2-CE1 4.41Å; I75-V162 HydrophobicContact CD1-CG1 3.53Å; I75-P164 HydrophobicContact CG2-CB 4.17Å; I75-P164 CarbonylContact O-C 3.42Å; I75-P164 VanDerWaalsContact O-CA 3.27Å; I75-P164 WeakPolarHBondContact O-CA 3.4Å; I75-V165 PolarHBondContact O-N 3.42Å
76	I	98.2	Very high	89.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-111.6	154.9	175.9	64.4	163.7	0	0	0	110.2	S74 S86 L88 L90 L149 V165 L167 I280	S74-I76 PolarHBondContact O-N 2.92Å; I76-S86 VanDerWaalsContact O-CB 3.31Å; I76-S86 WeakPolarHBondContact O-CB 3.47Å; I76-S86 PolarHBondContact O-OG 2.84Å; I76-L88 HydrophobicContact CD1-CB 4.27Å; I76-L88 HydrophobicContact CG1-CB 3.7Å; I76-L88 PolarHBondContact N-O 2.89Å; I76-L90 HydrophobicContact CG2-CB 3.72Å; I76-L90 HydrophobicContact CG2-CD2 4.22Å; I76-L149 HydrophobicContact CD1-CD1 3.56Å; I76-L149 HydrophobicContact CG1-CD1 4.26Å; I76-V165 HydrophobicContact CG2-CG1 4.27Å; I76-L167 HydrophobicContact CB-CD1 4.46Å; I76-L167 HydrophobicContact CB-CG 4.46Å; I76-L167 HydrophobicContact CD1-CD1 4.06Å; I76-L167 HydrophobicContact CG2-CD2 3.88Å; I76-L167 HydrophobicContact CG2-CG 4.35Å; I76-I280 HydrophobicContact CD1-CG2 3.75Å
77	E	93.7	Very high	90.2	Very high	65 Å²	65	49.7 Å²	49.7	30%	0.304	25%	0.25	S	S	.	.			trans	-74.3	132.6	176.3	-170.3	170.2	-119.6	0	0	110.6	C26 P164	C26-E77 HydrophobicContact CB-CB 4.49Å; E77-P164 HydrophobicContact CB-CB 4.2Å; E77-P164 HydrophobicContact CB-CG 4.26Å
78	P	90.9	Very high	90.7	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.032	22%	0.22	C	C	.	.			trans	-63.5	146.6	173.1	-21.1	33.5	0	0	0	112	T80 G81 K82 L88 E284	P78-T80 PolarHBondContact O-N 3.29Å; P78-T80 VanDerWaalsContact O-N 3.12Å; P78-G81 PolarHBondContact O-N 2.92Å; P78-K82 HydrophobicContact CG-CB 4.47Å; P78-L88 HydrophobicContact CB-CD1 4.03Å; P78-L88 HydrophobicContact CG-CD1 4.2Å; P78-E284 WeakPolarHBondContact CA-OE1 3.31Å; P78-E284 WeakPolarHBondContact CB-OE1 2.82Å
79	S	87.3	Confident	91.1	Very high	86 Å²	86	36.4 Å²	36.4	60%	0.601	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.1	177.2	56.6	0	0	0	0	113.6	G81 E284	S79-G81 PolarHBondContact O-N 2.91Å; S79-E284 WeakPolarHBondContact CB-OE2 3.25Å; S79-E284 PolarHBondContact N-OE1 3.33Å; S79-E284 PolarHBondContact N-OE2 3.42Å; S79-E284 PolarHBondContact OG-OE1 3.49Å; S79-E284 VanDerWaalsContact OG-OE1 3.11Å; S79-E284 PolarHBondContact OG-OE2 3.24Å
80	T	80.6	Confident	91.5	Very high	93 Å²	93	32.8 Å²	32.8	57%	0.571	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.8	172.1	56.3	0	0	0	0	113.7	P78 K82	P78-T80 PolarHBondContact O-N 3.29Å; P78-T80 VanDerWaalsContact O-N 3.12Å; T80-K82 VanDerWaalsContact C-N 3.35Å
81	G	72.4	Confident	91.8	Very high	32 Å²	32	30.8 Å²	30.8	33%	0.33	17%	0.171	S	C	.	.			trans	71.8	25	179.2	0	0	0	0	0	113.9	P78 S79 K83	P78-G81 PolarHBondContact O-N 2.92Å; S79-G81 PolarHBondContact O-N 2.91Å; G81-K83 WeakPolarHBondContact O-CG 3.26Å; G81-K83 PolarHBondContact O-N 3.46Å
82	K	68.6	Low	91.9	Very high	94 Å²	94	30.6 Å²	30.6	41%	0.409	17%	0.17	S	C	.	.			trans	-54.3	124.3	173.8	-78.2	179.9	-175.9	174.4	0	110.3	P78 T80	P78-K82 HydrophobicContact CG-CB 4.47Å; T80-K82 VanDerWaalsContact C-N 3.35Å
83	K	75.2	Confident	92	Very high	124 Å²	124	30.6 Å²	30.6	54%	0.539	17%	0.169	S	C	.	.	S	Bend	trans	-97	-6.8	-166.7	-65.8	-165.6	154.5	-162.3	0	115.3	F23 G81 Y158	F23-K83 HydrophobicContact CD2-CB 3.92Å; F23-K83 HydrophobicContact CD2-CD 3.87Å; F23-K83 HydrophobicContact CD2-CG 4.22Å; F23-K83 HydrophobicContact CE2-CB 3.53Å; F23-K83 HydrophobicContact CE2-CD 3.18Å; F23-K83 VanDerWaalsContact CE2-CE 3.48Å; F23-K83 HydrophobicContact CE2-CG 3.42Å; F23-K83 VanDerWaalsContact CE2-CG 3.42Å; F23-K83 HydrophobicContact CZ-CD 3.76Å; F23-K83 VanDerWaalsContact CZ-CE 3.46Å; F23-K83 HydrophobicContact CZ-CG 4.21Å; G81-K83 WeakPolarHBondContact O-CG 3.26Å; G81-K83 PolarHBondContact O-N 3.46Å; K83-Y158 WeakPolarHBondContact O-CD2 3.46Å
84	N	89.7	Confident	91.9	Very high	116 Å²	116	32.4 Å²	32.4	62%	0.62	18%	0.177	S	C	*	.	S	Bend	trans	-122.8	1.6	-172.8	66.9	-17.5	0	0	0	114.3	Y158	N84-Y158 VanDerWaalsContact C-CD2 3.48Å; N84-Y158 PolarHBondContact O-N 3.11Å
85	G	94.3	Very high	91.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	163.7	178.8	0	0	0	0	0	113.3	A156 Y158	G85-A156 WeakPolarHBondContact CA-O 3.49Å; G85-Y158 VanDerWaalsContact C-CE1 3.43Å; G85-Y158 VanDerWaalsContact CA-CE1 3.47Å; G85-Y158 VanDerWaalsContact N-CD2 3.33Å; G85-Y158 PolarHBondContact O-OH 3Å
86	S	96.3	Very high	91.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.1	173.8	177.9	0	0	0	0	111.2	I76 L88 A156 Y158	I76-S86 VanDerWaalsContact O-CB 3.31Å; I76-S86 WeakPolarHBondContact O-CB 3.47Å; I76-S86 PolarHBondContact O-OG 2.84Å; S86-L88 PolarHBondContact OG-N 3Å; S86-A156 PolarHBondContact N-O 3.17Å; S86-A156 VanDerWaalsContact N-O 3.08Å; S86-A156 WeakPolarHBondContact O-CA 3.49Å; S86-A156 VanDerWaalsContact O-CB 3.27Å; S86-A156 WeakPolarHBondContact O-CB 3.48Å; S86-A156 PolarHBondContact O-N 3.33Å; S86-Y158 WeakPolarHBondContact CB-OH 3.28Å
87	D	96.7	Very high	91.6	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.118	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	18	171.3	49.8	5.8	0	0	0	111.4	L151 L152 V155	D87-L151 HydrophobicContact CB-CD1 4.07Å; D87-L151 CarbonylContact O-C 3.52Å; D87-L151 VanDerWaalsContact O-CA 3.31Å; D87-L151 WeakPolarHBondContact O-CA 3.28Å; D87-L152 HydrophobicContact CB-CB 4.06Å; D87-L152 WeakPolarHBondContact O-CG 3.36Å; D87-L152 PolarHBondContact O-N 3.24Å; D87-V155 HydrophobicContact CB-CG2 4.34Å
88	L	98.2	Very high	91.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.6	-176.4	-62.8	179	0	0	0	111.9	I76 P78 S86 L149 L150 L151 E284	I76-L88 HydrophobicContact CD1-CB 4.27Å; I76-L88 HydrophobicContact CG1-CB 3.7Å; I76-L88 PolarHBondContact N-O 2.89Å; P78-L88 HydrophobicContact CB-CD1 4.03Å; P78-L88 HydrophobicContact CG-CD1 4.2Å; S86-L88 PolarHBondContact OG-N 3Å; L88-L149 HydrophobicContact CB-CD1 4.26Å; L88-L149 HydrophobicContact CD2-CD2 4.35Å; L88-L149 HydrophobicContact CD2-CG 4.44Å; L88-L150 WeakPolarHBondContact CA-O 3.27Å; L88-L151 HydrophobicContact CD2-CD1 3.83Å; L88-E284 HydrophobicContact CD1-CG 3.79Å; L88-E284 WeakPolarHBondContact CD1-OE1 3.21Å; L88-E284 HydrophobicContact CD2-CG 4.46Å
89	I	98.8	Very high	91	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.3	176.7	-52.4	-63.8	0	0	0	109.9	V57 S74 I75 I110 L150 L152	V57-I89 HydrophobicContact CG1-CD1 4.12Å; V57-I89 HydrophobicContact CG2-CD1 4.26Å; V57-I89 HydrophobicContact CG2-CG2 3.68Å; S74-I89 CarbonylContact O-C 3.57Å; S74-I89 VanDerWaalsContact O-CA 3.31Å; S74-I89 WeakPolarHBondContact O-CA 3.18Å; I75-I89 HydrophobicContact CB-CD1 4.29Å; I75-I89 HydrophobicContact CG1-CD1 3.57Å; I89-I110 HydrophobicContact CG1-CG2 4.29Å; I89-L150 HydrophobicContact CB-CB 4.15Å; I89-L150 HydrophobicContact CB-CD1 4.23Å; I89-L150 HydrophobicContact CB-CG 4.29Å; I89-L150 HydrophobicContact CG2-CD1 4.29Å; I89-L150 PolarHBondContact N-O 3.18Å; I89-L150 PolarHBondContact O-N 3.18Å; I89-L152 HydrophobicContact CD1-CD1 4.26Å; I89-L152 HydrophobicContact CG1-CD1 4.1Å; I89-L152 HydrophobicContact CG1-CD2 3.54Å; I89-L152 HydrophobicContact CG1-CG 4.07Å
90	L	98.9	Very high	91.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	172.7	-171.4	65.6	0	0	0	110.1	G73 S74 I76 I147 L149 L167 I254 V273 I280	G73-L90 CarbonylContact C-O 3.51Å; G73-L90 VanDerWaalsContact CA-O 3.29Å; G73-L90 WeakPolarHBondContact CA-O 3.32Å; S74-L90 PolarHBondContact N-O 2.88Å; S74-L90 PolarHBondContact O-N 2.81Å; S74-L90 PolarHBondContact OG-O 2.79Å; I76-L90 HydrophobicContact CG2-CB 3.72Å; I76-L90 HydrophobicContact CG2-CD2 4.22Å; L90-I147 HydrophobicContact CD1-CD1 3.92Å; L90-I147 HydrophobicContact CD1-CG1 3.78Å; L90-L149 HydrophobicContact CD1-CD1 4.45Å; L90-L167 HydrophobicContact CD2-CD2 4.05Å; L90-I254 HydrophobicContact CD1-CD1 4.21Å; L90-I254 HydrophobicContact CD2-CD1 4.04Å; L90-I254 HydrophobicContact CD2-CG1 4.45Å; L90-I254 HydrophobicContact CG-CD1 3.86Å; L90-I254 HydrophobicContact CG-CG1 4.47Å; L90-V273 HydrophobicContact CD2-CG1 4.35Å; L90-V273 HydrophobicContact CD2-CG2 4.42Å; L90-I280 HydrophobicContact CD1-CD1 4.07Å; L90-I280 HydrophobicContact CD1-CG1 4.07Å; L90-I280 HydrophobicContact CD2-CD1 3.91Å
91	T	98.8	Very high	91.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-176.6	-179	-169.9	0	0	0	0	110.9	L59 G72 A148 L150 G238	L59-T91 HydrophobicContact CD2-CG2 4.21Å; G72-T91 PolarHBondContact O-OG1 2.05Å; T91-A148 HydrophobicContact CG2-CB 4.18Å; T91-A148 PolarHBondContact N-O 3.12Å; T91-A148 PolarHBondContact O-N 2.88Å; T91-L150 HydrophobicContact CG2-CD1 4.23Å; T91-L150 HydrophobicContact CG2-CD2 4.09Å; T91-L150 HydrophobicContact CG2-CG 4.12Å; T91-G238 WeakPolarHBondContact OG1-CA 3.29Å
92	A	98.6	Very high	92.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.229	C	C	.	.			trans	-84	146.2	175.1	0	0	0	0	0	111.2	C95 I254	A92-C95 WeakPolarHBondContact O-CB 3.18Å; A92-C95 PolarHBondContact O-N 3.21Å; A92-I254 HydrophobicContact CB-CG2 3.97Å
93	A	98.6	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-69	-36	178.3	0	0	0	0	0	112	C95 L96 Y97 W102 A135 Y138 D146	A93-C95 PolarHBondContact O-N 3.47Å; A93-L96 PolarHBondContact O-N 2.93Å; A93-Y97 PolarHBondContact O-N 2.88Å; A93-W102 HydrophobicContact CB-CH2 4.08Å; A93-W102 HydrophobicContact CB-CZ3 4.39Å; A93-A135 HydrophobicContact CB-CB 4.36Å; A93-Y138 HydrophobicContact CB-CD1 4.43Å; A93-Y138 HydrophobicContact CB-CD2 4.1Å; A93-Y138 HydrophobicContact CB-CG 3.83Å; A93-D146 WeakPolarHBondContact CA-OD1 3.32Å; A93-D146 PolarHBondContact N-OD1 2.89Å
94	H	96.3	Very high	95.2	Very high	38 Å²	38	43.8 Å²	43.8	18%	0.176	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.4	-22.6	179.5	80.9	-102.3	0	0	0	112.8	L96 Y97 Y138 D146 S237 S256	H94-L96 PolarHBondContact O-N 3.05Å; H94-Y97 PolarHBondContact O-N 3.24Å; H94-Y138 HydrophobicContact CB-CE1 3.94Å; H94-Y138 HydrophobicContact CB-CE2 4.13Å; H94-Y138 VanDerWaalsContact CB-OH 3.3Å; H94-Y138 WeakPolarHBondContact CB-OH 3.23Å; H94-D146 IonicContact CE1-OD2 2.64Å; H94-D146 IonicContact CG-OD1 3.53Å; H94-D146 IonicContact CG-OD2 3.31Å; H94-D146 PolarHBondContact N-OD1 3.25Å; H94-D146 VanDerWaalsContact ND1-CG 3.35Å; H94-D146 IonicContact ND1-OD1 2.81Å; H94-D146 PolarHBondContact ND1-OD1 2.86Å; H94-D146 IonicContact ND1-OD2 2.86Å; H94-D146 PolarHBondContact ND1-OD2 3.12Å; H94-S237 PolarHBondContact CE1-OG 2.85Å; H94-S237 WeakPolarHBondContact NE2-CB 3.49Å; H94-S237 PolarHBondContact NE2-OG 3.46Å; H94-S256 PolarHBondContact CE1-O 2.79Å
95	C	97.1	Very high	95.6	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.02	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-65.3	-19.6	172.5	-71.1	0	0	0	0	113.3	L59 C71 A92 A93	L59-C95 HydrophobicContact CD2-CB 4.17Å; C71-C95 HydrophobicContact CB-CB 3.7Å; C71-C95 WeakPolarHBondContact CB-SG 3.35Å; C71-C95 WeakPolarHBondContact SG-CB 3.25Å; C71-C95 CovalentContact SG-SG 2.03Å; C71-C95 PolarHBondContact SG-SG 2.86Å; A92-C95 WeakPolarHBondContact O-CB 3.18Å; A92-C95 PolarHBondContact O-N 3.21Å; A93-C95 PolarHBondContact O-N 3.47Å
96	L	97.8	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-8.4	-178.3	-47.7	179.9	0	0	0	112.2	L59 A93 H94 W102 S103 L108 Y133 A148 L150	L59-L96 HydrophobicContact CD2-CD2 3.94Å; A93-L96 PolarHBondContact O-N 2.93Å; H94-L96 PolarHBondContact O-N 3.05Å; L96-W102 HydrophobicContact CB-CE3 4.02Å; L96-W102 HydrophobicContact CB-CZ3 4.03Å; L96-S103 WeakPolarHBondContact O-CB 3.25Å; L96-S103 PolarHBondContact O-N 3.22Å; L96-S103 PolarHBondContact O-OG 3.16Å; L96-L108 HydrophobicContact CD2-CD1 3.77Å; L96-L108 HydrophobicContact CD2-CD2 3.86Å; L96-Y133 HydrophobicContact CB-CE2 4.47Å; L96-Y133 HydrophobicContact CD1-CD1 4.26Å; L96-Y133 HydrophobicContact CD1-CD2 3.55Å; L96-Y133 HydrophobicContact CD1-CE1 4.45Å; L96-Y133 HydrophobicContact CD1-CE2 3.79Å; L96-Y133 HydrophobicContact CD1-CG 3.81Å; L96-A148 HydrophobicContact CD1-CB 3.54Å; L96-L150 HydrophobicContact CD1-CD2 3.67Å; L96-L150 HydrophobicContact CD2-CD2 4.23Å
97	Y	95.5	Very high	95.7	Very high	57 Å²	57	46.5 Å²	46.5	22%	0.224	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.7	-173.9	-172.8	-94.7	0	0	0	110.8	A93 H94 G100 K101 W102 Y138 K140	A93-Y97 PolarHBondContact O-N 2.88Å; H94-Y97 PolarHBondContact O-N 3.24Å; Y97-G100 VanDerWaalsContact CZ-C 3.49Å; Y97-G100 VanDerWaalsContact OH-CA 3.25Å; Y97-G100 WeakPolarHBondContact OH-CA 3Å; Y97-G100 PolarHBondContact OH-O 2.87Å; Y97-K101 WeakPolarHBondContact CA-O 3.33Å; Y97-W102 AromaticContact CD2-CD2 3.73Å; Y97-W102 HydrophobicContact CD2-CD2 3.73Å; Y97-W102 AromaticContact CD2-CE2 3.62Å; Y97-W102 HydrophobicContact CD2-CE3 4.21Å; Y97-W102 HydrophobicContact CD2-CG 4.02Å; Y97-W102 HydrophobicContact CD2-CH2 4.46Å; Y97-W102 HydrophobicContact CD2-CZ2 4.02Å; Y97-W102 AromaticContact CD2-NE1 3.83Å; Y97-W102 AromaticContact CE2-NE1 3.95Å; Y97-Y138 HydrophobicContact CD1-CD1 4.28Å; Y97-Y138 HydrophobicContact CD1-CE1 4.03Å; Y97-Y138 HydrophobicContact CG-CD1 4.26Å; Y97-Y138 HydrophobicContact CG-CE1 4.36Å; Y97-K140 HydrophobicContact CE1-CB 4.28Å; Y97-K140 HydrophobicContact CE1-CD 4.03Å
98	D	86.7	Confident	95.8	Very high	57 Å²	57	45.4 Å²	45.4	31%	0.305	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.4	-178.7	-174	25.8	0	0	0	111	Y63 G100 K101	Y63-D98 WeakPolarHBondContact CE1-OD2 3.45Å; Y63-D98 PolarHBondContact OH-OD2 2.82Å; D98-G100 PolarHBondContact O-N 3.41Å; D98-K101 PolarHBondContact N-O 3.22Å; D98-K101 PolarHBondContact O-N 3.33Å; D98-K101 VanDerWaalsContact O-O 3.07Å
99	R	84.1	Confident	95.8	Very high	231 Å²	231	48 Å²	48	87%	0.872	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.9	38.4	178.7	-61.6	175.2	-171	-170.8	-2.3	114.8	K101	R99-K101 VanDerWaalsContact C-N 3.35Å
100	G	89.3	Confident	95.7	Very high	40 Å²	40	48 Å²	48	41%	0.412	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	1.9	177.8	0	0	0	0	0	115.1	Y97 D98	Y97-G100 VanDerWaalsContact CZ-C 3.49Å; Y97-G100 VanDerWaalsContact OH-CA 3.25Å; Y97-G100 WeakPolarHBondContact OH-CA 3Å; Y97-G100 PolarHBondContact OH-O 2.87Å; D98-G100 PolarHBondContact O-N 3.41Å
101	K	93.9	Very high	95.7	Very high	161 Å²	161	48.1 Å²	48.1	70%	0.7	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.6	-174.4	-63.5	-175.8	-179.3	-177.9	0	111.4	Y97 D98 R99	Y97-K101 WeakPolarHBondContact CA-O 3.33Å; D98-K101 PolarHBondContact N-O 3.22Å; D98-K101 PolarHBondContact O-N 3.33Å; D98-K101 VanDerWaalsContact O-O 3.07Å; R99-K101 VanDerWaalsContact C-N 3.35Å
102	W	96.9	Very high	95.6	Very high	106 Å²	106	48.2 Å²	48.2	40%	0.402	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.2	169.7	-71.8	103.7	0	0	0	110.1	A93 L96 Y97 Y133 A135	A93-W102 HydrophobicContact CB-CH2 4.08Å; A93-W102 HydrophobicContact CB-CZ3 4.39Å; L96-W102 HydrophobicContact CB-CE3 4.02Å; L96-W102 HydrophobicContact CB-CZ3 4.03Å; Y97-W102 AromaticContact CD2-CD2 3.73Å; Y97-W102 HydrophobicContact CD2-CD2 3.73Å; Y97-W102 AromaticContact CD2-CE2 3.62Å; Y97-W102 HydrophobicContact CD2-CE3 4.21Å; Y97-W102 HydrophobicContact CD2-CG 4.02Å; Y97-W102 HydrophobicContact CD2-CH2 4.46Å; Y97-W102 HydrophobicContact CD2-CZ2 4.02Å; Y97-W102 AromaticContact CD2-NE1 3.83Å; Y97-W102 AromaticContact CE2-NE1 3.95Å; W102-Y133 WeakPolarHBondContact CB-OH 3.46Å; W102-Y133 AromaticContact CE3-CE2 3.97Å; W102-Y133 HydrophobicContact CE3-CE2 3.97Å; W102-Y133 HydrophobicContact CZ3-CE2 4.45Å; W102-A135 HydrophobicContact CE3-CB 4.33Å; W102-A135 HydrophobicContact CH2-CB 3.3Å; W102-A135 HydrophobicContact CZ2-CB 4.1Å; W102-A135 HydrophobicContact CZ3-CB 3.43Å; W102-A135 VanDerWaalsContact CZ3-CB 3.43Å
103	S	96.4	Very high	95.6	Very high	12 Å²	12	48.4 Å²	48.4	8%	0.084	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-74.5	138	179.8	-59.7	0	0	0	0	110.6	L61 L96 Y133	L61-S103 VanDerWaalsContact CD1-CB 3.48Å; L61-S103 WeakPolarHBondContact CD1-OG 2.94Å; L61-S103 WeakPolarHBondContact CD2-OG 3.32Å; L96-S103 WeakPolarHBondContact O-CB 3.25Å; L96-S103 PolarHBondContact O-N 3.22Å; L96-S103 PolarHBondContact O-OG 3.16Å; S103-Y133 VanDerWaalsContact O-CE1 3.22Å; S103-Y133 WeakPolarHBondContact O-CE1 3.11Å; S103-Y133 PolarHBondContact O-OH 2.89Å
104	P	96.5	Very high	95.5	Very high	72 Å²	72	48.8 Å²	48.8	47%	0.468	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-68.7	144	178.2	28.8	-34.3	0	0	0	111.1	E106 A107	P104-E106 WeakPolarHBondContact CB-OE2 3.34Å; P104-E106 PolarHBondContact O-N 3.04Å; P104-E106 VanDerWaalsContact O-N 3.13Å; P104-A107 HydrophobicContact CG-CB 4.07Å; P104-A107 WeakPolarHBondContact O-CB 3.45Å; P104-A107 PolarHBondContact O-N 2.86Å
105	P	97.4	Very high	95.6	Very high	28 Å²	28	47.5 Å²	47.5	18%	0.182	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-54	-31.5	178.9	-27.2	35.3	0	0	0	114.5	A107 L108 V130 Y133	P105-A107 PolarHBondContact O-N 2.89Å; P105-L108 WeakPolarHBondContact O-CB 3.35Å; P105-L108 PolarHBondContact O-N 3.34Å; P105-V130 HydrophobicContact CB-CG1 4.32Å; P105-Y133 HydrophobicContact CG-CD1 4.06Å; P105-Y133 HydrophobicContact CG-CE1 4.02Å
106	E	96.7	Very high	95.6	Very high	128 Å²	128	49.6 Å²	49.6	60%	0.598	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-64.2	-24.1	179.7	-63.2	70.2	-151.6	0	0	112.9	P104 L108	P104-E106 WeakPolarHBondContact CB-OE2 3.34Å; P104-E106 PolarHBondContact O-N 3.04Å; P104-E106 VanDerWaalsContact O-N 3.13Å; E106-L108 VanDerWaalsContact C-N 3.28Å
107	A	96.6	Very high	95.3	Very high	18 Å²	18	51.7 Å²	51.7	15%	0.149	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-81	-8.4	175.7	0	0	0	0	0	112.8	L61 Y62 P104 P105	L61-A107 HydrophobicContact CD1-CB 3.88Å; Y62-A107 PolarHBondContact N-O 2.79Å; P104-A107 HydrophobicContact CG-CB 4.07Å; P104-A107 WeakPolarHBondContact O-CB 3.45Å; P104-A107 PolarHBondContact O-N 2.86Å; P105-A107 PolarHBondContact O-N 2.89Å
108	L	98	Very high	95.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.4	-173.3	-57.4	171.8	0	0	0	111.7	L59 K60 L61 L96 P105 E106 V130 Y133	L59-L108 HydrophobicContact CD1-CB 4.41Å; L59-L108 HydrophobicContact CD1-CD2 4.27Å; K60-L108 WeakPolarHBondContact O-CA 3.14Å; L61-L108 HydrophobicContact CB-CD2 3.99Å; L61-L108 HydrophobicContact CD1-CD2 3.61Å; L61-L108 HydrophobicContact CG-CD2 4.36Å; L96-L108 HydrophobicContact CD2-CD1 3.77Å; L96-L108 HydrophobicContact CD2-CD2 3.86Å; P105-L108 WeakPolarHBondContact O-CB 3.35Å; P105-L108 PolarHBondContact O-N 3.34Å; E106-L108 VanDerWaalsContact C-N 3.28Å; L108-V130 HydrophobicContact CB-CB 3.83Å; L108-V130 HydrophobicContact CB-CG2 3.56Å; L108-V130 HydrophobicContact CD1-CB 4.46Å; L108-V130 HydrophobicContact CD1-CG1 4.3Å; L108-V130 HydrophobicContact CD1-CG2 4.44Å; L108-V130 PolarHBondContact O-N 3.29Å; L108-Y133 HydrophobicContact CD1-CD1 3.83Å; L108-Y133 HydrophobicContact CD1-CE1 3.95Å
109	K	98.1	Very high	95.6	Very high	56 Å²	56	51.9 Å²	51.9	24%	0.243	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.8	167.6	-57.5	-176.2	-171.3	171.7	0	110	K60 Y62 V127 I128 R129	K60-K109 PolarHBondContact N-O 2.02Å; K60-K109 PolarHBondContact O-N 3.03Å; Y62-K109 HydrophobicContact CD2-CD 4.45Å; Y62-K109 HydrophobicContact CD2-CG 4.4Å; Y62-K109 HydrophobicContact CE2-CB 4.17Å; Y62-K109 HydrophobicContact CE2-CD 3.75Å; Y62-K109 HydrophobicContact CE2-CG 3.98Å; K109-V127 HydrophobicContact CB-CG1 4.3Å; K109-V127 HydrophobicContact CD-CG1 4.04Å; K109-I128 WeakPolarHBondContact CA-O 3.36Å; K109-R129 HydrophobicContact CG-CG 4.49Å
110	I	97.9	Very high	95.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.7	172.8	54.6	-80.9	0	0	0	108.7	V57 Q58 L59 I89 V127 I128 V130 L150 L152	V57-I110 HydrophobicContact CG2-CG2 4.31Å; Q58-I110 CarbonylContact O-C 3.58Å; Q58-I110 VanDerWaalsContact O-CA 3.31Å; Q58-I110 WeakPolarHBondContact O-CA 3.43Å; L59-I110 HydrophobicContact CD1-CG2 3.88Å; I89-I110 HydrophobicContact CG1-CG2 4.29Å; I110-V127 CarbonylContact O-C 3.43Å; I110-V127 WeakPolarHBondContact O-CA 3.44Å; I110-I128 HydrophobicContact CD1-CB 3.86Å; I110-I128 HydrophobicContact CD1-CG2 4.27Å; I110-I128 WeakPolarHBondContact CD1-O 3.44Å; I110-I128 HydrophobicContact CG1-CB 3.91Å; I110-I128 PolarHBondContact N-O 3Å; I110-I128 PolarHBondContact O-N 2.87Å; I110-V130 HydrophobicContact CD1-CG2 3.9Å; I110-L150 HydrophobicContact CG2-CD1 4.38Å; I110-L152 HydrophobicContact CD1-CD1 3.77Å; I110-L152 HydrophobicContact CD1-CD2 3.11Å; I110-L152 HydrophobicContact CD1-CG 3.92Å; I110-L152 HydrophobicContact CG1-CD1 3.76Å; I110-L152 HydrophobicContact CG1-CD2 3.83Å; I110-L152 HydrophobicContact CG1-CG 4.41Å
111	V	97.9	Very high	95.9	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.1	171.9	-166.4	0	0	0	0	107.4	V57 Q58 K60 V114 Q125 N126 V127	V57-V111 WeakPolarHBondContact CA-O 3.07Å; V57-V111 WeakPolarHBondContact CB-O 3.04Å; Q58-V111 HydrophobicContact CB-CB 4.24Å; Q58-V111 PolarHBondContact N-O 3.43Å; Q58-V111 PolarHBondContact O-N 2.65Å; K60-V111 HydrophobicContact CD-CG2 4.26Å; V111-V114 HydrophobicContact CB-CG1 4.09Å; V111-V114 HydrophobicContact CG1-CB 3.88Å; V111-V114 HydrophobicContact CG1-CG1 3.67Å; V111-Q125 HydrophobicContact CG1-CB 4.23Å; V111-N126 WeakPolarHBondContact CA-O 2.93Å; V111-V127 HydrophobicContact CG1-CG2 4.2Å; V111-V127 HydrophobicContact CG2-CG2 4.18Å
112	A	98.3	Very high	96	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	154.1	175.8	0	0	0	0	0	110.6	V57 I75 V114 Q125 N126 V162	V57-A112 HydrophobicContact CG1-CB 3.95Å; I75-A112 HydrophobicContact CD1-CB 4.27Å; A112-V114 PolarHBondContact O-N 3.4Å; A112-Q125 CarbonylContact O-C 3.51Å; A112-Q125 VanDerWaalsContact O-CA 3.29Å; A112-Q125 WeakPolarHBondContact O-CA 3.16Å; A112-N126 PolarHBondContact N-O 3.28Å; A112-N126 PolarHBondContact O-N 2.02Å; A112-V162 HydrophobicContact CB-CG1 4.42Å; A112-V162 HydrophobicContact CB-CG2 4.26Å
113	G	97.8	Very high	95.9	Very high	4 Å²	4	45.1 Å²	45.1	4%	0.041	26%	0.263	C	S	.	.	S	Bend	trans	71.1	8	173.5	0	0	0	0	0	115.7	H51 S124	H51-G113 PolarHBondContact CE1-O 3.19Å; H51-G113 VanDerWaalsContact CE1-O 3.3Å; H51-G113 PolarHBondContact ND1-O 3.17Å; G113-S124 CarbonylContact O-C 3.53Å; G113-S124 VanDerWaalsContact O-CB 3.31Å; G113-S124 WeakPolarHBondContact O-CB 3.37Å; G113-S124 PolarHBondContact O-OG 2.95Å
114	V	97.5	Very high	95.9	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.048	27%	0.268	C	S	.	.			trans	-87.2	137.7	177.7	62.2	0	0	0	0	111.3	V111 A112 I117 E122 Q125 W185	V111-V114 HydrophobicContact CB-CG1 4.09Å; V111-V114 HydrophobicContact CG1-CB 3.88Å; V111-V114 HydrophobicContact CG1-CG1 3.67Å; A112-V114 PolarHBondContact O-N 3.4Å; V114-I117 HydrophobicContact CG1-CG2 4.18Å; V114-I117 HydrophobicContact CG2-CG2 3.9Å; V114-E122 WeakPolarHBondContact CA-OE1 3.25Å; V114-Q125 HydrophobicContact CB-CB 4.09Å; V114-W185 HydrophobicContact CG1-CH2 3.96Å; V114-W185 HydrophobicContact CG1-CZ2 3.86Å; V114-W185 WeakPolarHBondContact O-CZ2 3.47Å
115	H	97.2	Very high	95.9	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.056	26%	0.256	C	S	.	.	S	Bend	trans	-108	-47.3	168.1	-179	65.8	0	0	0	110.8	E47 A48 P50 E122 W185 L197 L198	E47-H115 IonicContact OE1-CD2 3.82Å; E47-H115 IonicContact OE1-CE1 3.21Å; E47-H115 IonicContact OE1-NE2 2.74Å; E47-H115 PolarHBondContact OE1-NE2 3.3Å; A48-H115 PolarHBondContact O-CE1 3.17Å; A48-H115 VanDerWaalsContact O-CE1 3.22Å; P50-H115 HydrophobicContact CB-CB 4.31Å; H115-E122 PolarHBondContact N-OE1 3.25Å; H115-E122 PolarHBondContact N-OE2 3.35Å; H115-W185 PolarHBondContact O-NE1 3.33Å; H115-L197 CarbonylContact O-C 3.49Å; H115-L197 WeakPolarHBondContact O-CA 3.42Å; H115-L198 PolarHBondContact O-N 2.77Å
116	N	96.5	Very high	95.8	Very high	46 Å²	46	46.4 Å²	46.4	25%	0.246	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-106.4	98.5	179.2	-175.6	-3.1	0	0	0	111.1	A118 N119 E122 N196 L197	N116-A118 PolarHBondContact O-N 2.84Å; N116-A118 VanDerWaalsContact O-N 3.13Å; N116-A118 WeakPolarHBondContact OD1-CB 3.24Å; N116-A118 PolarHBondContact OD1-N 2.94Å; N116-N119 HydrophobicContact CB-CB 4.23Å; N116-N119 PolarHBondContact O-N 3.29Å; N116-E122 WeakPolarHBondContact CA-OE2 3.42Å; N116-E122 WeakPolarHBondContact CB-OE2 3.48Å; N116-E122 PolarHBondContact N-OE2 3.45Å; N116-N196 CarbonylContact C-O 3.54Å; N116-N196 VanDerWaalsContact CA-O 3.29Å; N116-N196 WeakPolarHBondContact CA-O 3.42Å; N116-N196 PolarHBondContact OD1-O 3.35Å; N116-L197 HydrophobicContact CB-CD2 3.66Å
117	I	92.9	Very high	95.8	Very high	45 Å²	45	43.9 Å²	43.9	23%	0.231	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.7	-178.5	58.9	163.5	0	0	0	113.7	V114 N119 W185 N196	V114-I117 HydrophobicContact CG1-CG2 4.18Å; V114-I117 HydrophobicContact CG2-CG2 3.9Å; I117-N119 VanDerWaalsContact C-N 3.33Å; I117-W185 HydrophobicContact CD1-CB 3.92Å; I117-W185 HydrophobicContact CD1-CG 3.98Å; I117-W185 HydrophobicContact CG1-CG 4.26Å; I117-W185 HydrophobicContact CG2-CD2 3.93Å; I117-W185 HydrophobicContact CG2-CG 4.08Å; I117-W185 HydrophobicContact CG2-CZ2 4.09Å; I117-N196 VanDerWaalsContact CG1-O 3.31Å; I117-N196 WeakPolarHBondContact CG1-O 3.14Å; I117-N196 PolarHBondContact N-O 3Å
118	A	92.7	Very high	95.9	Very high	56 Å²	56	43 Å²	43	46%	0.463	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.6	171.9	0	0	0	0	0	113.1	N116 P120 N196	N116-A118 PolarHBondContact O-N 2.84Å; N116-A118 VanDerWaalsContact O-N 3.13Å; N116-A118 WeakPolarHBondContact OD1-CB 3.24Å; N116-A118 PolarHBondContact OD1-N 2.94Å; A118-P120 WeakPolarHBondContact O-CD 3.34Å; A118-N196 HydrophobicContact CB-CB 3.87Å
119	N	95	Very high	95.9	Very high	61 Å²	61	49.9 Å²	49.9	33%	0.326	28%	0.276	S	S	.	.			trans	-101.7	94.2	175.2	-176.8	9.2	0	0	0	110.8	N116 I117 L121 E122 Q125	N116-N119 HydrophobicContact CB-CB 4.23Å; N116-N119 PolarHBondContact O-N 3.29Å; I117-N119 VanDerWaalsContact C-N 3.33Å; N119-L121 PolarHBondContact O-N 2.65Å; N119-L121 VanDerWaalsContact O-N 3.09Å; N119-L121 PolarHBondContact OD1-N 2.64Å; N119-E122 HydrophobicContact CB-CB 4.35Å; N119-E122 PolarHBondContact ND2-N 2.6Å; N119-E122 PolarHBondContact O-N 2.86Å; N119-E122 PolarHBondContact OD1-N 3.22Å; N119-Q125 PolarHBondContact O-NE2 2.9Å
120	P	88.1	Confident	96	Very high	101 Å²	101	47.3 Å²	47.3	66%	0.656	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-6.1	178.2	30.8	-36.8	0	0	0	113.7	A118 Q125	A118-P120 WeakPolarHBondContact O-CD 3.34Å; P120-Q125 PolarHBondContact O-NE2 2.79Å; P120-Q125 VanDerWaalsContact O-NE2 3.1Å
121	L	92.7	Very high	96	Very high	146 Å²	146	52.1 Å²	52.1	76%	0.764	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	11.8	179.4	-58.3	179.3	0	0	0	112.7	N119 P123	N119-L121 PolarHBondContact O-N 2.65Å; N119-L121 VanDerWaalsContact O-N 3.09Å; N119-L121 PolarHBondContact OD1-N 2.64Å; L121-P123 WeakPolarHBondContact O-CD 3.45Å; L121-P123 VanDerWaalsContact O-N 3.11Å
122	E	95.5	Very high	96	Very high	18 Å²	18	53.3 Å²	53.3	8%	0.084	29%	0.29	C	S	.	.			trans	-56.7	115.1	173.9	-170.2	175.8	134.5	0	0	110	H51 V114 H115 N116 N119 S124 Q125	H51-E122 IonicContact CE1-OE1 3.74Å; H51-E122 PolarHBondContact CE1-OE1 3.04Å; H51-E122 VanDerWaalsContact CE1-OE1 3.31Å; V114-E122 WeakPolarHBondContact CA-OE1 3.25Å; H115-E122 PolarHBondContact N-OE1 3.25Å; H115-E122 PolarHBondContact N-OE2 3.35Å; N116-E122 WeakPolarHBondContact CA-OE2 3.42Å; N116-E122 WeakPolarHBondContact CB-OE2 3.48Å; N116-E122 PolarHBondContact N-OE2 3.45Å; N119-E122 HydrophobicContact CB-CB 4.35Å; N119-E122 PolarHBondContact ND2-N 2.6Å; N119-E122 PolarHBondContact O-N 2.86Å; N119-E122 PolarHBondContact OD1-N 3.22Å; E122-S124 PolarHBondContact O-N 3.19Å; E122-S124 VanDerWaalsContact O-N 3.16Å; E122-S124 PolarHBondContact OE1-OG 3.14Å; E122-Q125 HydrophobicContact CB-CB 4.44Å; E122-Q125 WeakPolarHBondContact O-CB 3.32Å; E122-Q125 VanDerWaalsContact O-CG 3.27Å; E122-Q125 WeakPolarHBondContact O-CG 3.49Å; E122-Q125 PolarHBondContact O-N 2.87Å; E122-Q125 PolarHBondContact O-NE2 3.31Å
123	P	95.3	Very high	96	Very high	131 Å²	131	55.2 Å²	55.2	85%	0.851	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.6	-166.9	-26.7	35.7	0	0	0	115.1	L121 Q125	L121-P123 WeakPolarHBondContact O-CD 3.45Å; L121-P123 VanDerWaalsContact O-N 3.11Å; P123-Q125 VanDerWaalsContact C-N 3.3Å
124	S	95.8	Very high	96	Very high	26 Å²	26	57.4 Å²	57.4	18%	0.182	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.4	177.6	52.5	0	0	0	0	113.3	H51 G113 E122	H51-S124 PolarHBondContact CE1-OG 3.09Å; G113-S124 CarbonylContact O-C 3.53Å; G113-S124 VanDerWaalsContact O-CB 3.31Å; G113-S124 WeakPolarHBondContact O-CB 3.37Å; G113-S124 PolarHBondContact O-OG 2.95Å; E122-S124 PolarHBondContact O-N 3.19Å; E122-S124 VanDerWaalsContact O-N 3.16Å; E122-S124 PolarHBondContact OE1-OG 3.14Å
125	Q	95.8	Very high	96.1	Very high	46 Å²	46	57.5 Å²	57.5	22%	0.215	31%	0.308	C	S	.	.			trans	-74.7	141.4	-176.3	90.6	-175.4	-88	0	0	111.4	V111 A112 V114 N119 P120 E122 P123	V111-Q125 HydrophobicContact CG1-CB 4.23Å; A112-Q125 CarbonylContact O-C 3.51Å; A112-Q125 VanDerWaalsContact O-CA 3.29Å; A112-Q125 WeakPolarHBondContact O-CA 3.16Å; V114-Q125 HydrophobicContact CB-CB 4.09Å; N119-Q125 PolarHBondContact O-NE2 2.9Å; P120-Q125 PolarHBondContact O-NE2 2.79Å; P120-Q125 VanDerWaalsContact O-NE2 3.1Å; E122-Q125 HydrophobicContact CB-CB 4.44Å; E122-Q125 WeakPolarHBondContact O-CB 3.32Å; E122-Q125 VanDerWaalsContact O-CG 3.27Å; E122-Q125 WeakPolarHBondContact O-CG 3.49Å; E122-Q125 PolarHBondContact O-N 2.87Å; E122-Q125 PolarHBondContact O-NE2 3.31Å; P123-Q125 VanDerWaalsContact C-N 3.3Å
126	N	96.1	Very high	96	Very high	67 Å²	67	57.4 Å²	57.4	36%	0.358	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.2	172	-170.5	-0.5	0	0	0	110.1	V111 A112	V111-N126 WeakPolarHBondContact CA-O 2.93Å; A112-N126 PolarHBondContact N-O 3.28Å; A112-N126 PolarHBondContact O-N 2.02Å
127	V	97.1	Very high	95.9	Very high	76 Å²	76	60.2 Å²	60.2	46%	0.461	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	109.7	177.7	-176.6	0	0	0	0	108.9	K109 I110 V111	K109-V127 HydrophobicContact CB-CG1 4.3Å; K109-V127 HydrophobicContact CD-CG1 4.04Å; I110-V127 CarbonylContact O-C 3.43Å; I110-V127 WeakPolarHBondContact O-CA 3.44Å; V111-V127 HydrophobicContact CG1-CG2 4.2Å; V111-V127 HydrophobicContact CG2-CG2 4.18Å
128	I	98.4	Very high	96.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.2	-177.2	-49.9	168.6	0	0	0	108.6	K109 I110 L152 E154 A156	K109-I128 WeakPolarHBondContact CA-O 3.36Å; I110-I128 HydrophobicContact CD1-CB 3.86Å; I110-I128 HydrophobicContact CD1-CG2 4.27Å; I110-I128 WeakPolarHBondContact CD1-O 3.44Å; I110-I128 HydrophobicContact CG1-CB 3.91Å; I110-I128 PolarHBondContact N-O 3Å; I110-I128 PolarHBondContact O-N 2.87Å; I128-L152 HydrophobicContact CB-CD1 4.19Å; I128-L152 HydrophobicContact CD1-CD1 3.88Å; I128-L152 HydrophobicContact CG2-CB 3.9Å; I128-L152 HydrophobicContact CG2-CD1 4Å; I128-L152 HydrophobicContact CG2-CG 4.5Å; I128-E154 HydrophobicContact CG2-CB 4.02Å; I128-A156 HydrophobicContact CD1-CB 3.75Å
129	R	98.5	Very high	96.1	Very high	144 Å²	144	59.9 Å²	59.9	54%	0.543	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147.5	173.9	-73.8	-179.3	168.8	94.9	-6.1	110.6	K109 R153	K109-R129 HydrophobicContact CG-CG 4.49Å; R129-R153 HydrophobicContact CB-CB 4.47Å; R129-R153 HydrophobicContact CB-CG 4.16Å; R129-R153 PolarHBondContact O-N 3.22Å
130	V	98.7	Very high	96	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.3	169.8	179.8	0	0	0	0	109.3	P105 L108 I110 R132 L150 L152	P105-V130 HydrophobicContact CB-CG1 4.32Å; L108-V130 HydrophobicContact CB-CB 3.83Å; L108-V130 HydrophobicContact CB-CG2 3.56Å; L108-V130 HydrophobicContact CD1-CB 4.46Å; L108-V130 HydrophobicContact CD1-CG1 4.3Å; L108-V130 HydrophobicContact CD1-CG2 4.44Å; L108-V130 PolarHBondContact O-N 3.29Å; I110-V130 HydrophobicContact CD1-CG2 3.9Å; V130-R132 WeakPolarHBondContact CG1-O 3.12Å; V130-L150 HydrophobicContact CG1-CB 4.2Å; V130-L150 HydrophobicContact CG2-CD1 4.1Å; V130-L152 HydrophobicContact CG2-CD2 4.49Å
131	K	98.3	Very high	96.1	Very high	102 Å²	102	65 Å²	65	44%	0.443	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-48.1	173.3	-174.9	173	167.3	-175.6	0	110.3	L151 R153	K131-L151 HydrophobicContact CB-CD2 4.42Å; K131-L151 HydrophobicContact CD-CD2 4.04Å; K131-L151 PolarHBondContact N-O 3.01Å; K131-R153 HydrophobicContact CB-CG 3.74Å; K131-R153 HydrophobicContact CG-CG 4.39Å
132	R	98.2	Very high	96	Very high	28 Å²	28	60.8 Å²	60.8	11%	0.106	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	168.5	-174.9	48.7	179.7	156.8	-173.6	-12.9	109.7	V130 L151 L287 E290	V130-R132 WeakPolarHBondContact CG1-O 3.12Å; R132-L151 HydrophobicContact CG-CB 3.91Å; R132-L151 HydrophobicContact CG-CD2 3.94Å; R132-L151 PolarHBondContact N-O 2.89Å; R132-L151 PolarHBondContact O-N 2.87Å; R132-L287 HydrophobicContact CB-CD2 4.12Å; R132-L287 HydrophobicContact CG-CD2 3.68Å; R132-L287 VanDerWaalsContact CZ-C 3.48Å; R132-L287 PolarHBondContact NE-O 2.98Å; R132-L287 PolarHBondContact NH1-O 3.05Å; R132-L287 PolarHBondContact NH2-O 3.47Å; R132-E290 VanDerWaalsContact NH1-N 3.14Å; R132-E290 PolarHBondContact NH1-OXT 3.15Å; R132-E290 PolarHBondContact NH2-OXT 3.25Å
133	Y	98.4	Very high	95.8	Very high	41 Å²	41	63 Å²	63	16%	0.161	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.6	172.2	64.6	-96.3	0	0	0	111.6	L96 W102 S103 P105 L108 L149 L150	L96-Y133 HydrophobicContact CB-CE2 4.47Å; L96-Y133 HydrophobicContact CD1-CD1 4.26Å; L96-Y133 HydrophobicContact CD1-CD2 3.55Å; L96-Y133 HydrophobicContact CD1-CE1 4.45Å; L96-Y133 HydrophobicContact CD1-CE2 3.79Å; L96-Y133 HydrophobicContact CD1-CG 3.81Å; W102-Y133 WeakPolarHBondContact CB-OH 3.46Å; W102-Y133 AromaticContact CE3-CE2 3.97Å; W102-Y133 HydrophobicContact CE3-CE2 3.97Å; W102-Y133 HydrophobicContact CZ3-CE2 4.45Å; S103-Y133 VanDerWaalsContact O-CE1 3.22Å; S103-Y133 WeakPolarHBondContact O-CE1 3.11Å; S103-Y133 PolarHBondContact O-OH 2.89Å; P105-Y133 HydrophobicContact CG-CD1 4.06Å; P105-Y133 HydrophobicContact CG-CE1 4.02Å; L108-Y133 HydrophobicContact CD1-CD1 3.83Å; L108-Y133 HydrophobicContact CD1-CE1 3.95Å; Y133-L149 CarbonylContact C-O 3.48Å; Y133-L149 VanDerWaalsContact CA-O 3.23Å; Y133-L149 WeakPolarHBondContact CA-O 3.36Å; Y133-L149 WeakPolarHBondContact CB-O 3.38Å; Y133-L150 VanDerWaalsContact CB-CD2 3.41Å; Y133-L150 HydrophobicContact CG-CD2 4.1Å
134	Q	98.4	Very high	95.7	Very high	50 Å²	50	59.4 Å²	59.4	23%	0.234	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.7	170.7	178.5	61.3	58.3	0	0	107.9	A148 L149 F279 A283 K286 L287	Q134-A148 WeakPolarHBondContact O-CA 3.09Å; Q134-L149 PolarHBondContact N-O 3.02Å; Q134-L149 PolarHBondContact O-N 2.91Å; Q134-F279 HydrophobicContact CG-CE2 4.33Å; Q134-F279 HydrophobicContact CG-CZ 4.41Å; Q134-A283 HydrophobicContact CB-CB 3.94Å; Q134-A283 HydrophobicContact CG-CB 3.84Å; Q134-K286 VanDerWaalsContact OE1-CD 3.32Å; Q134-L287 HydrophobicContact CB-CD1 4.26Å; Q134-L287 HydrophobicContact CB-CD2 4.13Å; Q134-L287 HydrophobicContact CB-CG 4.14Å
135	A	98.3	Very high	95.7	Very high	11 Å²	11	59.7 Å²	59.7	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	156.4	174.4	0	0	0	0	0	111.1	A93 W102 A148 F279	A93-A135 HydrophobicContact CB-CB 4.36Å; W102-A135 HydrophobicContact CE3-CB 4.33Å; W102-A135 HydrophobicContact CH2-CB 3.3Å; W102-A135 HydrophobicContact CZ2-CB 4.1Å; W102-A135 HydrophobicContact CZ3-CB 3.43Å; W102-A135 VanDerWaalsContact CZ3-CB 3.43Å; A135-A148 HydrophobicContact CB-CB 4.09Å; A135-F279 VanDerWaalsContact C-CZ 3.49Å
136	G	95.2	Very high	95.8	Very high	10 Å²	10	57.5 Å²	57.5	10%	0.103	28%	0.279	C	S	.	.			trans	-65.4	172	166	0	0	0	0	0	111.5	Y138 I147 F279	G136-Y138 PolarHBondContact O-N 3.16Å; G136-I147 PolarHBondContact N-O 2.95Å; G136-F279 VanDerWaalsContact N-CZ 3.33Å
137	S	95.2	Very high	95.9	Very high	105 Å²	105	54.3 Å²	54.3	73%	0.734	26%	0.262	S	S	*	.			trans	-71.9	65.6	171.7	-58	0	0	0	0	110.6	N139 N145	S137-N139 PolarHBondContact O-N 3.06Å; S137-N145 WeakPolarHBondContact O-CB 3.46Å; S137-N145 PolarHBondContact O-ND2 3.22Å
138	Y	96	Very high	96	Very high	35 Å²	35	50.7 Å²	50.7	14%	0.137	24%	0.24	C	C	.	.			trans	-62.9	127.2	-170.4	174.7	-121.3	0	0	0	111.5	A93 H94 Y97 G136 K140 F143 E144 D146	A93-Y138 HydrophobicContact CB-CD1 4.43Å; A93-Y138 HydrophobicContact CB-CD2 4.1Å; A93-Y138 HydrophobicContact CB-CG 3.83Å; H94-Y138 HydrophobicContact CB-CE1 3.94Å; H94-Y138 HydrophobicContact CB-CE2 4.13Å; H94-Y138 VanDerWaalsContact CB-OH 3.3Å; H94-Y138 WeakPolarHBondContact CB-OH 3.23Å; Y97-Y138 HydrophobicContact CD1-CD1 4.28Å; Y97-Y138 HydrophobicContact CD1-CE1 4.03Å; Y97-Y138 HydrophobicContact CG-CD1 4.26Å; Y97-Y138 HydrophobicContact CG-CE1 4.36Å; G136-Y138 PolarHBondContact O-N 3.16Å; Y138-K140 HydrophobicContact CE1-CB 3.96Å; Y138-F143 HydrophobicContact CE2-CD1 4.3Å; Y138-E144 WeakPolarHBondContact CA-O 3.42Å; Y138-D146 HydrophobicContact CD2-CB 3.9Å; Y138-D146 HydrophobicContact CE2-CB 3.85Å
139	N	93.8	Very high	96	Very high	59 Å²	59	50.7 Å²	50.7	32%	0.316	24%	0.24	S	C	.	.			trans	-105.9	108.3	173.6	-176	-27.3	0	0	0	109.9	S137 Y141 T142 F143 E144	S137-N139 PolarHBondContact O-N 3.06Å; N139-Y141 PolarHBondContact O-N 3.25Å; N139-Y141 VanDerWaalsContact O-N 3.1Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.43Å; N139-Y141 PolarHBondContact OD1-N 2.71Å; N139-T142 VanDerWaalsContact CB-OG1 3.31Å; N139-T142 WeakPolarHBondContact CB-OG1 3.34Å; N139-T142 PolarHBondContact ND2-OG1 3.23Å; N139-T142 PolarHBondContact O-N 2.94Å; N139-T142 PolarHBondContact OD1-N 3.22Å; N139-F143 VanDerWaalsContact O-CA 3.27Å; N139-F143 WeakPolarHBondContact O-CA 3.12Å; N139-F143 PolarHBondContact O-N 2.74Å; N139-E144 HydrophobicContact CB-CB 4.44Å; N139-E144 PolarHBondContact N-O 2.93Å
140	K	91.9	Very high	96.1	Very high	91 Å²	91	43.9 Å²	43.9	40%	0.396	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.8	-177.9	72.8	179.6	-172.3	177.4	0	115.5	Y97 Y138	Y97-K140 HydrophobicContact CE1-CB 4.28Å; Y97-K140 HydrophobicContact CE1-CD 4.03Å; Y138-K140 HydrophobicContact CE1-CB 3.96Å
141	Y	90	Very high	96	Very high	178 Å²	178	44 Å²	44	70%	0.698	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-34.7	-179.6	-58.6	-66.5	0	0	0	112	N139	N139-Y141 PolarHBondContact O-N 3.25Å; N139-Y141 VanDerWaalsContact O-N 3.1Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.43Å; N139-Y141 PolarHBondContact OD1-N 2.71Å
142	T	90.4	Very high	96.1	Very high	58 Å²	58	39.4 Å²	39.4	36%	0.356	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-9.4	-177.4	61.6	0	0	0	0	113.5	N139 E144	N139-T142 VanDerWaalsContact CB-OG1 3.31Å; N139-T142 WeakPolarHBondContact CB-OG1 3.34Å; N139-T142 PolarHBondContact ND2-OG1 3.23Å; N139-T142 PolarHBondContact O-N 2.94Å; N139-T142 PolarHBondContact OD1-N 3.22Å; T142-E144 PolarHBondContact O-N 3.26Å; T142-E144 VanDerWaalsContact O-N 3.14Å; T142-E144 WeakPolarHBondContact OG1-CG 3.28Å; T142-E144 PolarHBondContact OG1-N 3.43Å
143	F	91.6	Very high	96	Very high	63 Å²	63	44.5 Å²	44.5	28%	0.276	21%	0.214	S	C	.	.			trans	56.9	18.8	-171	-68.2	-103	0	0	0	113.9	Y138 N139 D146 F257	Y138-F143 HydrophobicContact CE2-CD1 4.3Å; N139-F143 VanDerWaalsContact O-CA 3.27Å; N139-F143 WeakPolarHBondContact O-CA 3.12Å; N139-F143 PolarHBondContact O-N 2.74Å; F143-D146 WeakPolarHBondContact O-CB 3.22Å; F143-F257 HydrophobicContact CB-CD1 3.39Å; F143-F257 HydrophobicContact CB-CE1 3.51Å; F143-F257 HydrophobicContact CB-CG 4.12Å; F143-F257 HydrophobicContact CB-CZ 4.31Å; F143-F257 HydrophobicContact CD1-CB 3.83Å; F143-F257 AromaticContact CD1-CD1 3.96Å; F143-F257 HydrophobicContact CD1-CD1 3.96Å; F143-F257 HydrophobicContact CD1-CG 4.12Å; F143-F257 HydrophobicContact CD2-CB 4.44Å; F143-F257 HydrophobicContact CD2-CD1 4.33Å; F143-F257 HydrophobicContact CD2-CG 4.23Å; F143-F257 HydrophobicContact CE1-CB 3.93Å; F143-F257 HydrophobicContact CG-CB 4.1Å; F143-F257 AromaticContact CG-CD1 3.65Å; F143-F257 HydrophobicContact CG-CD1 3.65Å; F143-F257 HydrophobicContact CG-CE1 4.21Å; F143-F257 AromaticContact CG-CG 3.91Å; F143-F257 HydrophobicContact CG-CG 3.91Å; F143-F257 HydrophobicContact CZ-CB 4.31Å
144	E	93.3	Very high	95.9	Very high	56 Å²	56	48.4 Å²	48.4	26%	0.262	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	146	172.8	-71.7	-164.1	142.5	0	0	111.2	Y138 N139 T142 D146 K219	Y138-E144 WeakPolarHBondContact CA-O 3.42Å; N139-E144 HydrophobicContact CB-CB 4.44Å; N139-E144 PolarHBondContact N-O 2.93Å; T142-E144 PolarHBondContact O-N 3.26Å; T142-E144 VanDerWaalsContact O-N 3.14Å; T142-E144 WeakPolarHBondContact OG1-CG 3.28Å; T142-E144 PolarHBondContact OG1-N 3.43Å; E144-D146 PolarHBondContact O-N 2.97Å; E144-K219 HydrophobicContact CB-CD 4.38Å; E144-K219 HydrophobicContact CG-CD 4.13Å; E144-K219 WeakPolarHBondContact OE1-CD 3.49Å; E144-K219 IonicContact OE1-NZ 2.6Å; E144-K219 PolarHBondContact OE1-NZ 2.64Å; E144-K219 IonicContact OE2-NZ 3.96Å; E144-K219 PolarHBondContact OE2-NZ 3.04Å
145	N	96.5	Very high	95.8	Very high	33 Å²	33	49.2 Å²	49.2	18%	0.176	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	34.8	-179.3	-44.8	-50.7	0	0	0	113.1	S137 I147 Y276	S137-N145 WeakPolarHBondContact O-CB 3.46Å; S137-N145 PolarHBondContact O-ND2 3.22Å; N145-I147 PolarHBondContact O-N 2.74Å; N145-Y276 VanDerWaalsContact CA-OH 3.29Å; N145-Y276 WeakPolarHBondContact CA-OH 3.43Å; N145-Y276 HydrophobicContact CB-CE1 4.29Å; N145-Y276 PolarHBondContact N-OH 2.97Å; N145-Y276 WeakPolarHBondContact OD1-CE1 3.37Å; N145-Y276 PolarHBondContact OD1-OH 2.9Å
146	D	97.7	Very high	95.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.			trans	-75.6	63.6	176.9	-170.9	23.8	0	0	0	112.6	A93 H94 Y138 F143 E144 S256 T271	A93-D146 WeakPolarHBondContact CA-OD1 3.32Å; A93-D146 PolarHBondContact N-OD1 2.89Å; H94-D146 IonicContact CE1-OD2 2.64Å; H94-D146 IonicContact CG-OD1 3.53Å; H94-D146 IonicContact CG-OD2 3.31Å; H94-D146 PolarHBondContact N-OD1 3.25Å; H94-D146 VanDerWaalsContact ND1-CG 3.35Å; H94-D146 IonicContact ND1-OD1 2.81Å; H94-D146 PolarHBondContact ND1-OD1 2.86Å; H94-D146 IonicContact ND1-OD2 2.86Å; H94-D146 PolarHBondContact ND1-OD2 3.12Å; Y138-D146 HydrophobicContact CD2-CB 3.9Å; Y138-D146 HydrophobicContact CE2-CB 3.85Å; F143-D146 WeakPolarHBondContact O-CB 3.22Å; E144-D146 PolarHBondContact O-N 2.97Å; D146-S256 WeakPolarHBondContact CB-OG 3.45Å; D146-S256 WeakPolarHBondContact OD2-CA 3.47Å; D146-S256 WeakPolarHBondContact OD2-CB 3.21Å; D146-S256 PolarHBondContact OD2-OG 2.91Å; D146-T271 PolarHBondContact O-OG1 3.19Å
147	I	98.8	Very high	95.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.			trans	-143	138.7	-176	-175.2	171.4	0	0	0	110.1	L90 G136 N145 I254 T271 Y276 F279 I280	L90-I147 HydrophobicContact CD1-CD1 3.92Å; L90-I147 HydrophobicContact CD1-CG1 3.78Å; G136-I147 PolarHBondContact N-O 2.95Å; N145-I147 PolarHBondContact O-N 2.74Å; I147-I254 HydrophobicContact CB-CD1 4.21Å; I147-I254 HydrophobicContact CD1-CD1 3.86Å; I147-I254 HydrophobicContact CG1-CD1 3.65Å; I147-T271 HydrophobicContact CB-CG2 4.28Å; I147-Y276 VanDerWaalsContact CD1-CB 3.5Å; I147-Y276 HydrophobicContact CD1-CG 3.98Å; I147-Y276 HydrophobicContact CG2-CD1 3.83Å; I147-Y276 HydrophobicContact CG2-CE1 4.1Å; I147-Y276 HydrophobicContact CG2-CG 4.16Å; I147-F279 HydrophobicContact CB-CE1 4.41Å; I147-F279 HydrophobicContact CD1-CD1 3.88Å; I147-F279 HydrophobicContact CD1-CE1 4.16Å; I147-F279 HydrophobicContact CG1-CD1 4.16Å; I147-F279 HydrophobicContact CG1-CE1 3.92Å; I147-F279 HydrophobicContact CG2-CD1 3.9Å; I147-F279 HydrophobicContact CG2-CE1 3.81Å; I147-F279 HydrophobicContact CG2-CZ 4.35Å; I147-I280 HydrophobicContact CD1-CD1 4.27Å; I147-I280 HydrophobicContact CD1-CG1 4.09Å
148	A	98.9	Very high	95.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.2	172.5	0	0	0	0	0	111.2	T91 L96 Q134 A135	T91-A148 HydrophobicContact CG2-CB 4.18Å; T91-A148 PolarHBondContact N-O 3.12Å; T91-A148 PolarHBondContact O-N 2.88Å; L96-A148 HydrophobicContact CD1-CB 3.54Å; Q134-A148 WeakPolarHBondContact O-CA 3.09Å; A135-A148 HydrophobicContact CB-CB 4.09Å
149	L	98.8	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.4	172.3	-172.9	65.6	0	0	0	108.9	I76 L88 L90 Y133 Q134 I280 A283 E284 L287	I76-L149 HydrophobicContact CD1-CD1 3.56Å; I76-L149 HydrophobicContact CG1-CD1 4.26Å; L88-L149 HydrophobicContact CB-CD1 4.26Å; L88-L149 HydrophobicContact CD2-CD2 4.35Å; L88-L149 HydrophobicContact CD2-CG 4.44Å; L90-L149 HydrophobicContact CD1-CD1 4.45Å; Y133-L149 CarbonylContact C-O 3.48Å; Y133-L149 VanDerWaalsContact CA-O 3.23Å; Y133-L149 WeakPolarHBondContact CA-O 3.36Å; Y133-L149 WeakPolarHBondContact CB-O 3.38Å; Q134-L149 PolarHBondContact N-O 3.02Å; Q134-L149 PolarHBondContact O-N 2.91Å; L149-I280 HydrophobicContact CD2-CG2 4.35Å; L149-A283 HydrophobicContact CB-CB 4.06Å; L149-A283 HydrophobicContact CD2-CB 3.85Å; L149-E284 HydrophobicContact CD2-CB 3.99Å; L149-L287 HydrophobicContact CB-CD1 4.12Å; L149-L287 HydrophobicContact CD2-CD1 3.94Å; L149-L287 HydrophobicContact CG-CD1 3.88Å; L149-L287 WeakPolarHBondContact O-CD1 2.89Å
150	L	98.8	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.7	175.6	-38.4	-178.7	0	0	0	109.3	L59 L88 I89 T91 L96 I110 V130 Y133	L59-L150 HydrophobicContact CD1-CD1 3.86Å; L59-L150 HydrophobicContact CD2-CD1 4.31Å; L88-L150 WeakPolarHBondContact CA-O 3.27Å; I89-L150 HydrophobicContact CB-CB 4.15Å; I89-L150 HydrophobicContact CB-CD1 4.23Å; I89-L150 HydrophobicContact CB-CG 4.29Å; I89-L150 HydrophobicContact CG2-CD1 4.29Å; I89-L150 PolarHBondContact N-O 3.18Å; I89-L150 PolarHBondContact O-N 3.18Å; T91-L150 HydrophobicContact CG2-CD1 4.23Å; T91-L150 HydrophobicContact CG2-CD2 4.09Å; T91-L150 HydrophobicContact CG2-CG 4.12Å; L96-L150 HydrophobicContact CD1-CD2 3.67Å; L96-L150 HydrophobicContact CD2-CD2 4.23Å; I110-L150 HydrophobicContact CG2-CD1 4.38Å; V130-L150 HydrophobicContact CG1-CB 4.2Å; V130-L150 HydrophobicContact CG2-CD1 4.1Å; Y133-L150 VanDerWaalsContact CB-CD2 3.41Å; Y133-L150 HydrophobicContact CG-CD2 4.1Å
151	L	98.4	Very high	96.1	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.5	164.2	-177.4	77.1	0	0	0	109.6	D87 L88 K131 R132 L287 L288	D87-L151 HydrophobicContact CB-CD1 4.07Å; D87-L151 CarbonylContact O-C 3.52Å; D87-L151 VanDerWaalsContact O-CA 3.31Å; D87-L151 WeakPolarHBondContact O-CA 3.28Å; L88-L151 HydrophobicContact CD2-CD1 3.83Å; K131-L151 HydrophobicContact CB-CD2 4.42Å; K131-L151 HydrophobicContact CD-CD2 4.04Å; K131-L151 PolarHBondContact N-O 3.01Å; R132-L151 HydrophobicContact CG-CB 3.91Å; R132-L151 HydrophobicContact CG-CD2 3.94Å; R132-L151 PolarHBondContact N-O 2.89Å; R132-L151 PolarHBondContact O-N 2.87Å; L151-L287 HydrophobicContact CB-CB 4.25Å; L151-L287 HydrophobicContact CB-CD1 4.38Å; L151-L287 VanDerWaalsContact CD2-O 3.3Å; L151-L287 WeakPolarHBondContact CD2-O 3.32Å; L151-L288 HydrophobicContact CD1-CD2 4.33Å
152	L	98.5	Very high	96.4	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	156.7	178.1	-50.3	-161.1	0	0	0	111.8	D87 I89 I110 I128 V130 E154	D87-L152 HydrophobicContact CB-CB 4.06Å; D87-L152 WeakPolarHBondContact O-CG 3.36Å; D87-L152 PolarHBondContact O-N 3.24Å; I89-L152 HydrophobicContact CD1-CD1 4.26Å; I89-L152 HydrophobicContact CG1-CD1 4.1Å; I89-L152 HydrophobicContact CG1-CD2 3.54Å; I89-L152 HydrophobicContact CG1-CG 4.07Å; I110-L152 HydrophobicContact CD1-CD1 3.77Å; I110-L152 HydrophobicContact CD1-CD2 3.11Å; I110-L152 HydrophobicContact CD1-CG 3.92Å; I110-L152 HydrophobicContact CG1-CD1 3.76Å; I110-L152 HydrophobicContact CG1-CD2 3.83Å; I110-L152 HydrophobicContact CG1-CG 4.41Å; I128-L152 HydrophobicContact CB-CD1 4.19Å; I128-L152 HydrophobicContact CD1-CD1 3.88Å; I128-L152 HydrophobicContact CG2-CB 3.9Å; I128-L152 HydrophobicContact CG2-CD1 4Å; I128-L152 HydrophobicContact CG2-CG 4.5Å; V130-L152 HydrophobicContact CG2-CD2 4.49Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 VanDerWaalsContact CB-O 3.26Å; L152-E154 WeakPolarHBondContact CB-O 3.36Å
153	R	97.8	Very high	96.8	Very high	135 Å²	135	34.5 Å²	34.5	51%	0.509	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-24.5	172.2	-71.7	-165.5	179.6	-152.6	-3.7	112.8	R129 K131	R129-R153 HydrophobicContact CB-CB 4.47Å; R129-R153 HydrophobicContact CB-CG 4.16Å; R129-R153 PolarHBondContact O-N 3.22Å; K131-R153 HydrophobicContact CB-CG 3.74Å; K131-R153 HydrophobicContact CG-CG 4.39Å
154	E	95.8	Very high	97.1	Very high	123 Å²	123	31.5 Å²	31.5	58%	0.575	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.3	-177	-64.5	166.4	-128.5	0	0	108.7	I128 L152 A156	I128-E154 HydrophobicContact CG2-CB 4.02Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 VanDerWaalsContact CB-O 3.26Å; L152-E154 WeakPolarHBondContact CB-O 3.36Å; E154-A156 PolarHBondContact O-N 3.2Å
155	V	95.4	Very high	97.3	Very high	67 Å²	67	28.9 Å²	28.9	41%	0.406	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.1	176.7	175.5	0	0	0	0	109.2	D87 A157	D87-V155 HydrophobicContact CB-CG2 4.34Å; V155-A157 PolarHBondContact O-N 2.87Å; V155-A157 VanDerWaalsContact O-N 3.11Å
156	A	96.1	Very high	97.3	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	100.4	166.1	0	0	0	0	0	108.4	G85 S86 I128 E154 V162	G85-A156 WeakPolarHBondContact CA-O 3.49Å; S86-A156 PolarHBondContact N-O 3.17Å; S86-A156 VanDerWaalsContact N-O 3.08Å; S86-A156 WeakPolarHBondContact O-CA 3.49Å; S86-A156 VanDerWaalsContact O-CB 3.27Å; S86-A156 WeakPolarHBondContact O-CB 3.48Å; S86-A156 PolarHBondContact O-N 3.33Å; I128-A156 HydrophobicContact CD1-CB 3.75Å; E154-A156 PolarHBondContact O-N 3.2Å; A156-V162 HydrophobicContact CB-CG1 4.22Å
157	A	95.3	Very high	97.4	Very high	66 Å²	66	30.1 Å²	30.1	55%	0.545	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.4	178.6	0	0	0	0	0	111	V155	V155-A157 PolarHBondContact O-N 2.87Å; V155-A157 VanDerWaalsContact O-N 3.11Å
158	Y	95.6	Very high	97.3	Very high	19 Å²	19	30.4 Å²	30.4	8%	0.075	16%	0.161	C	C	.	.			trans	-72.3	142.9	178.7	-61.5	-23.3	0	0	0	111.5	Y24 I75 K83 N84 G85 S86 V162 P164	Y24-Y158 HydrophobicContact CG-CD2 4.49Å; I75-Y158 HydrophobicContact CG2-CE1 4.41Å; K83-Y158 WeakPolarHBondContact O-CD2 3.46Å; N84-Y158 VanDerWaalsContact C-CD2 3.48Å; N84-Y158 PolarHBondContact O-N 3.11Å; G85-Y158 VanDerWaalsContact C-CE1 3.43Å; G85-Y158 VanDerWaalsContact CA-CE1 3.47Å; G85-Y158 VanDerWaalsContact N-CD2 3.33Å; G85-Y158 PolarHBondContact O-OH 3Å; S86-Y158 WeakPolarHBondContact CB-OH 3.28Å; Y158-V162 CarbonylContact C-O 3.42Å; Y158-V162 WeakPolarHBondContact CA-O 3.37Å; Y158-P164 HydrophobicContact CE1-CB 4.4Å; Y158-P164 HydrophobicContact CE1-CG 4.04Å; Y158-P164 HydrophobicContact CE2-CG 3.99Å; Y158-P164 VanDerWaalsContact CZ-CD 3.45Å; Y158-P164 WeakPolarHBondContact OH-CG 3.42Å
159	S	95.9	Very high	97.3	Very high	38 Å²	38	37.4 Å²	37.4	27%	0.266	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-154.5	179.4	178.4	69	0	0	0	0	109.6	Y24 H161 V162	Y24-S159 VanDerWaalsContact CE1-O 3.28Å; Y24-S159 WeakPolarHBondContact CE1-O 3.5Å; Y24-S159 VanDerWaalsContact CZ-C 3.47Å; Y24-S159 VanDerWaalsContact OH-C 3.3Å; Y24-S159 WeakPolarHBondContact OH-CA 3.32Å; S159-H161 PolarHBondContact O-N 3.19Å; S159-H161 PolarHBondContact OG-N 2.74Å; S159-H161 VanDerWaalsContact OG-N 3.15Å; S159-V162 PolarHBondContact N-O 2.55Å; S159-V162 CarbonylContact O-C 3.53Å; S159-V162 PolarHBondContact O-N 3.26Å; S159-V162 PolarHBondContact OG-N 3.14Å
160	N	96.3	Very high	97.2	Very high	42 Å²	42	41.3 Å²	41.3	23%	0.225	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.1	171	-65.5	-21.9	0	0	0	113.7	Q22 Y24 Y30 F31	Q22-N160 PolarHBondContact NE2-OD1 2.93Å; Y24-N160 PolarHBondContact OH-N 3.33Å; Y24-N160 PolarHBondContact OH-OD1 3.12Å; Y30-N160 HydrophobicContact CD1-CB 3.99Å; Y30-N160 VanDerWaalsContact CD2-OD1 3.25Å; Y30-N160 WeakPolarHBondContact CD2-OD1 3.19Å; Y30-N160 HydrophobicContact CG-CB 3.95Å; F31-N160 HydrophobicContact CE2-CB 4.13Å; F31-N160 WeakPolarHBondContact CE2-O 3.49Å
161	H	97.6	Very high	97.1	Very high	61 Å²	61	43.8 Å²	43.8	28%	0.282	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-14.2	-178.6	-45.2	108.9	0	0	0	114.4	F31 H51 P54 S159	F31-H161 AromaticContact CE2-CD2 3.81Å; F31-H161 AromaticContact CE2-NE2 3.93Å; H51-H161 HydrophobicContact CB-CB 4.27Å; H51-H161 AromaticContact CD2-CD2 3.35Å; H51-H161 PolarHBondContact CD2-CD2 2.89Å; H51-H161 AromaticContact CG-CD2 3.35Å; H51-H161 AromaticContact ND1-CD2 3.81Å; H51-H161 AromaticContact NE2-CD2 3.84Å; P54-H161 WeakPolarHBondContact CB-O 3.44Å; S159-H161 PolarHBondContact O-N 3.19Å; S159-H161 PolarHBondContact OG-N 2.74Å; S159-H161 VanDerWaalsContact OG-N 3.15Å
162	V	97.9	Very high	97.1	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.048	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-138.5	114.4	-174.4	179.2	0	0	0	0	108.3	P54 I75 A112 A156 Y158 S159	P54-V162 WeakPolarHBondContact O-CA 3.48Å; I75-V162 HydrophobicContact CD1-CG1 3.53Å; A112-V162 HydrophobicContact CB-CG1 4.42Å; A112-V162 HydrophobicContact CB-CG2 4.26Å; A156-V162 HydrophobicContact CB-CG1 4.22Å; Y158-V162 CarbonylContact C-O 3.42Å; Y158-V162 WeakPolarHBondContact CA-O 3.37Å; S159-V162 PolarHBondContact N-O 2.55Å; S159-V162 CarbonylContact O-C 3.53Å; S159-V162 PolarHBondContact O-N 3.26Å; S159-V162 PolarHBondContact OG-N 3.14Å
163	S	97	Very high	97	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	28%	0.279	C	S	.	.			trans	-160.2	159.1	177.3	77.7	0	0	0	0	109.8	P54 W55	P54-S163 CarbonylContact C-O 3.53Å; P54-S163 WeakPolarHBondContact CG-OG 3.39Å; P54-S163 PolarHBondContact O-N 3.36Å; W55-S163 WeakPolarHBondContact CA-O 3.32Å; W55-S163 VanDerWaalsContact CB-O 3.29Å; W55-S163 WeakPolarHBondContact CB-O 3.39Å; W55-S163 PolarHBondContact N-O 3.3Å; W55-S163 VanDerWaalsContact N-O 3.16Å
164	P	97.8	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-81.9	157	-171.4	33.8	-32	0	0	0	111.6	C26 G27 I75 E77 Y158	C26-P164 WeakPolarHBondContact CA-O 3.44Å; C26-P164 HydrophobicContact CB-CG 4.11Å; G27-P164 PolarHBondContact N-O 2.9Å; I75-P164 HydrophobicContact CG2-CB 4.17Å; I75-P164 CarbonylContact O-C 3.42Å; I75-P164 VanDerWaalsContact O-CA 3.27Å; I75-P164 WeakPolarHBondContact O-CA 3.4Å; E77-P164 HydrophobicContact CB-CB 4.2Å; E77-P164 HydrophobicContact CB-CG 4.26Å; Y158-P164 HydrophobicContact CE1-CB 4.4Å; Y158-P164 HydrophobicContact CE1-CG 4.04Å; Y158-P164 HydrophobicContact CE2-CG 3.99Å; Y158-P164 VanDerWaalsContact CZ-CD 3.45Å; Y158-P164 WeakPolarHBondContact OH-CG 3.42Å
165	V	98.3	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-88	152.4	162.9	69.8	0	0	0	0	109.8	W55 I75 I76 V242 Y249 Q251	W55-V165 HydrophobicContact CB-CB 3.98Å; W55-V165 HydrophobicContact CB-CG1 4.43Å; W55-V165 HydrophobicContact CD2-CB 3.69Å; W55-V165 HydrophobicContact CD2-CG2 4.1Å; W55-V165 HydrophobicContact CE3-CB 4.03Å; W55-V165 HydrophobicContact CE3-CG2 4.44Å; W55-V165 HydrophobicContact CG-CB 3.65Å; W55-V165 HydrophobicContact CG-CG1 4.37Å; W55-V165 HydrophobicContact CG-CG2 4.4Å; I75-V165 PolarHBondContact O-N 3.42Å; I76-V165 HydrophobicContact CG2-CG1 4.27Å; V165-V242 HydrophobicContact CG2-CB 4.47Å; V165-V242 HydrophobicContact CG2-CG1 3.71Å; V165-Y249 WeakPolarHBondContact CG2-O 3.18Å; V165-Q251 HydrophobicContact CG1-CB 3.84Å; V165-Q251 HydrophobicContact CG2-CB 3.98Å
166	C	97.7	Very high	96.7	Very high	8 Å²	8	44 Å²	44	5%	0.054	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-75.6	148.6	171.6	-59	0	0	0	0	111.1	C26 Q248 Y249 V250 Q251	C26-C166 HydrophobicContact CB-CB 4.01Å; C26-C166 WeakPolarHBondContact CB-SG 3.14Å; C26-C166 PolarHBondContact O-SG 3.4Å; C26-C166 WeakPolarHBondContact SG-CA 3.22Å; C26-C166 WeakPolarHBondContact SG-CB 3.27Å; C26-C166 CovalentContact SG-SG 2.05Å; C26-C166 PolarHBondContact SG-SG 3.28Å; C166-Q248 PolarHBondContact SG-NE2 2.89Å; C166-Y249 PolarHBondContact N-O 2.79Å; C166-V250 HydrophobicContact CB-CB 4.48Å; C166-V250 HydrophobicContact CB-CG2 4.04Å; C166-V250 WeakPolarHBondContact O-CA 3.49Å; C166-Q251 PolarHBondContact O-N 3.24Å
167	L	98.4	Very high	96.5	Very high	52 Å²	52	52.2 Å²	52.2	27%	0.272	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-94.6	147.9	166.6	-65.1	-178.9	0	0	0	110.3	I76 L90 V273 I280	I76-L167 HydrophobicContact CB-CD1 4.46Å; I76-L167 HydrophobicContact CB-CG 4.46Å; I76-L167 HydrophobicContact CD1-CD1 4.06Å; I76-L167 HydrophobicContact CG2-CD2 3.88Å; I76-L167 HydrophobicContact CG2-CG 4.35Å; L90-L167 HydrophobicContact CD2-CD2 4.05Å; L167-V273 HydrophobicContact CD2-CG1 3.92Å; L167-I280 HydrophobicContact CD1-CD1 4.04Å; L167-I280 HydrophobicContact CD1-CG2 3.97Å; L167-I280 HydrophobicContact CD2-CD1 4.36Å
168	P	98.2	Very high	96.4	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.039	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-68.6	164.5	171.9	30.3	-36.3	0	0	0	110.8	E172 V250 Q251 Y252 V273 V277	P168-E172 VanDerWaalsContact CA-OE2 3.32Å; P168-E172 WeakPolarHBondContact CA-OE2 3.33Å; P168-E172 HydrophobicContact CB-CB 4.1Å; P168-E172 WeakPolarHBondContact CB-OE2 3.28Å; P168-V250 HydrophobicContact CB-CG1 3.98Å; P168-Q251 WeakPolarHBondContact CD-O 3.44Å; P168-Y252 HydrophobicContact CB-CD1 4.1Å; P168-Y252 HydrophobicContact CB-CE1 3.78Å; P168-Y252 HydrophobicContact CG-CD1 4.39Å; P168-V273 HydrophobicContact CG-CB 4.29Å; P168-V273 HydrophobicContact CG-CG1 3.97Å; P168-V277 HydrophobicContact CG-CG2 4.46Å; P168-V277 WeakPolarHBondContact O-CG2 3.04Å
169	E	97.4	Very high	96.2	Very high	147 Å²	147	52.6 Å²	52.6	69%	0.687	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-66.2	157.6	167.7	-64.5	-173.9	175.4	0	0	111.4	G171 E172	E169-G171 PolarHBondContact O-N 2.91Å; E169-E172 HydrophobicContact CB-CB 4.15Å; E169-E172 PolarHBondContact N-OE2 3.17Å; E169-E172 VanDerWaalsContact O-CB 3.31Å; E169-E172 WeakPolarHBondContact O-CB 3.49Å; E169-E172 PolarHBondContact O-N 3.23Å; E169-E172 VanDerWaalsContact O-N 3.07Å
170	N	97.6	Very high	96.2	Very high	82 Å²	82	50.8 Å²	50.8	44%	0.439	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	120.4	178.4	-179.9	64.9	0	0	0	110.6	E172 V277 Q278	N170-E172 VanDerWaalsContact C-N 3.25Å; N170-E172 PolarHBondContact O-N 3.03Å; N170-V277 HydrophobicContact CB-CB 4.03Å; N170-V277 HydrophobicContact CB-CG1 4.1Å; N170-Q278 WeakPolarHBondContact OD1-CG 3.39Å
171	G	96.1	Very high	96.1	Very high	51 Å²	51	49 Å²	49	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	8.8	-177.4	0	0	0	0	0	114.4	E169 A173 S274	E169-G171 PolarHBondContact O-N 2.91Å; G171-A173 PolarHBondContact O-N 3.31Å; G171-S274 PolarHBondContact N-O 2.96Å
172	E	97.6	Very high	95.9	Very high	56 Å²	56	46.3 Å²	46.3	26%	0.262	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-53.7	139.8	179.4	-159.7	-175.3	136.7	0	0	111.7	P168 E169 N170 Y252 R272 S274	P168-E172 VanDerWaalsContact CA-OE2 3.32Å; P168-E172 WeakPolarHBondContact CA-OE2 3.33Å; P168-E172 HydrophobicContact CB-CB 4.1Å; P168-E172 WeakPolarHBondContact CB-OE2 3.28Å; E169-E172 HydrophobicContact CB-CB 4.15Å; E169-E172 PolarHBondContact N-OE2 3.17Å; E169-E172 VanDerWaalsContact O-CB 3.31Å; E169-E172 WeakPolarHBondContact O-CB 3.49Å; E169-E172 PolarHBondContact O-N 3.23Å; E169-E172 VanDerWaalsContact O-N 3.07Å; N170-E172 VanDerWaalsContact C-N 3.25Å; N170-E172 PolarHBondContact O-N 3.03Å; E172-Y252 PolarHBondContact OE1-OH 2.95Å; E172-R272 PolarHBondContact O-NH2 2.86Å; E172-R272 VanDerWaalsContact O-NH2 3.07Å; E172-S274 WeakPolarHBondContact O-CB 3.45Å; E172-S274 PolarHBondContact O-OG 2.81Å
173	A	96.4	Very high	95.8	Very high	74 Å²	74	46 Å²	46	61%	0.612	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-64.1	143.7	177.3	0	0	0	0	0	110.5	G171	G171-A173 PolarHBondContact O-N 3.31Å
174	L	96.3	Very high	95.6	Very high	37 Å²	37	46.1 Å²	46.1	19%	0.194	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66.8	132.9	176	-65	-179.7	0	0	0	110	V205 L221 Y252 R272	L174-V205 HydrophobicContact CB-CG1 4.15Å; L174-V205 HydrophobicContact CD1-CG1 4.12Å; L174-L221 HydrophobicContact CD1-CB 3.61Å; L174-L221 HydrophobicContact CD1-CD2 4.34Å; L174-L221 HydrophobicContact CD2-CB 4.4Å; L174-L221 HydrophobicContact CD2-CD2 3.62Å; L174-Y252 HydrophobicContact CD2-CD1 4.14Å; L174-R272 HydrophobicContact CD2-CG 4.04Å
175	P	95.4	Very high	95.4	Very high	16 Å²	16	46.8 Å²	46.8	10%	0.104	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71.6	143.3	-177.3	33.5	-38.2	0	0	0	109.6	V178 C243 I245 Y252	P175-V178 HydrophobicContact CB-CG2 3.64Å; P175-V178 HydrophobicContact CG-CG2 4.02Å; P175-C243 HydrophobicContact CG-CB 3.79Å; P175-I245 HydrophobicContact CB-CD1 3.71Å; P175-I245 HydrophobicContact CG-CD1 4.21Å; P175-Y252 HydrophobicContact CB-CE2 4.44Å; P175-Y252 HydrophobicContact CG-CD1 4.45Å; P175-Y252 HydrophobicContact CG-CD2 3.8Å; P175-Y252 HydrophobicContact CG-CE1 4.33Å; P175-Y252 HydrophobicContact CG-CE2 3.63Å; P175-Y252 HydrophobicContact CG-CG 4.19Å
176	R	92.9	Very high	94.8	Very high	156 Å²	156	47 Å²	47	59%	0.589	26%	0.262	S	S	*	.			trans	-118.4	145.1	179.1	-62.5	-177.6	-178.4	-83.2	2.5	109.3	V178	R176-V178 PolarHBondContact O-N 2.74Å
177	N	90.9	Very high	93.8	Very high	175 Å²	175	47.2 Å²	47.2	94%	0.936	26%	0.264	S	S	*	.	S	Bend	trans	55.8	32.5	175.4	-53.3	-34.9	0	0	0	114
178	V	93.2	Very high	92.3	Very high	43 Å²	43	49.5 Å²	49.5	26%	0.261	28%	0.277	S	S	.	.	S	Bend	trans	-116.9	152.5	171.7	-57.3	0	0	0	0	110.2	P175 R176 C180 C243 I245	P175-V178 HydrophobicContact CB-CG2 3.64Å; P175-V178 HydrophobicContact CG-CG2 4.02Å; R176-V178 PolarHBondContact O-N 2.74Å; V178-C180 PolarHBondContact O-N 3.31Å; V178-C243 HydrophobicContact CG2-CB 3.98Å; V178-I245 HydrophobicContact CG2-CD1 4.27Å
179	P	92.1	Very high	90.8	Very high	50 Å²	50	50.2 Å²	50.2	33%	0.325	29%	0.285	S	S	.	.			trans	-62	122.1	173.2	-22.8	34.6	0	0	0	110.6	F181 C243 K244	P179-F181 HydrophobicContact CB-CE2 3.77Å; P179-F181 HydrophobicContact CB-CZ 4.07Å; P179-C243 WeakPolarHBondContact O-CA 3.09Å; P179-K244 PolarHBondContact O-N 2.8Å
180	C	94.9	Very high	89.2	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.8	169.6	-51.6	0	0	0	0	110.4	V178 E202 V203 L241 V242 C243	V178-C180 PolarHBondContact O-N 3.31Å; C180-E202 CarbonylContact O-C 3.45Å; C180-E202 VanDerWaalsContact O-CA 3.28Å; C180-E202 WeakPolarHBondContact O-CA 3.29Å; C180-E202 WeakPolarHBondContact O-CG 3.45Å; C180-V203 WeakPolarHBondContact CB-O 3.41Å; C180-V203 PolarHBondContact O-N 3.05Å; C180-L241 HydrophobicContact CB-CD1 3.95Å; C180-L241 HydrophobicContact CB-CG 4.49Å; C180-V242 CarbonylContact C-O 3.6Å; C180-V242 WeakPolarHBondContact CA-O 3.33Å; C180-C243 HydrophobicContact CB-CB 4.04Å; C180-C243 WeakPolarHBondContact CB-SG 3.31Å; C180-C243 WeakPolarHBondContact SG-CB 3.31Å; C180-C243 CovalentContact SG-SG 2.04Å; C180-C243 PolarHBondContact SG-SG 2.9Å
181	F	95.1	Very high	87.8	Confident	5 Å²	5	53.5 Å²	53.5	2%	0.022	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.8	-173.8	-60.1	-88.3	0	0	0	110.4	F53 P179 V201 E202 L241 V242 Y249	F53-F181 HydrophobicContact CE1-CB 3.67Å; F53-F181 HydrophobicContact CE1-CD2 4.44Å; F53-F181 HydrophobicContact CE1-CG 4.04Å; F53-F181 HydrophobicContact CZ-CB 3.85Å; F53-F181 HydrophobicContact CZ-CD1 4.16Å; F53-F181 AromaticContact CZ-CG 3.92Å; F53-F181 HydrophobicContact CZ-CG 3.92Å; P179-F181 HydrophobicContact CB-CE2 3.77Å; P179-F181 HydrophobicContact CB-CZ 4.07Å; F181-V201 VanDerWaalsContact CA-O 3.3Å; F181-V201 WeakPolarHBondContact CA-O 3.43Å; F181-E202 HydrophobicContact CD1-CB 4.02Å; F181-E202 HydrophobicContact CD1-CG 4.21Å; F181-E202 HydrophobicContact CE1-CB 3.74Å; F181-E202 HydrophobicContact CE1-CG 3.73Å; F181-E202 HydrophobicContact CZ-CB 4.45Å; F181-E202 HydrophobicContact CZ-CG 3.94Å; F181-L241 WeakPolarHBondContact O-CA 3.43Å; F181-V242 HydrophobicContact CB-CG2 4.12Å; F181-V242 PolarHBondContact N-O 3.39Å; F181-V242 PolarHBondContact O-N 2.89Å; F181-Y249 AromaticContact CD2-CE1 3.83Å; F181-Y249 HydrophobicContact CD2-CE1 3.83Å; F181-Y249 AromaticContact CE2-CE1 3.91Å; F181-Y249 HydrophobicContact CE2-CE1 3.91Å
182	V	94	Very high	86.5	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.1	161.7	-174	0	0	0	0	107.7	Q200 V201 V203 A232 L241 V255 Y270	V182-Q200 CarbonylContact O-C 3.57Å; V182-Q200 WeakPolarHBondContact O-CA 3.27Å; V182-V201 HydrophobicContact CB-CG1 4.06Å; V182-V201 PolarHBondContact N-O 2.99Å; V182-V201 PolarHBondContact O-N 3.04Å; V182-V203 HydrophobicContact CG2-CG2 3.98Å; V182-A232 HydrophobicContact CG1-CB 4.08Å; V182-L241 HydrophobicContact CG2-CB 4.12Å; V182-L241 HydrophobicContact CG2-CD1 3.34Å; V182-L241 HydrophobicContact CG2-CG 4.32Å; V182-V255 HydrophobicContact CG1-CG2 3.65Å; V182-Y270 HydrophobicContact CG2-CE1 3.67Å; V182-Y270 WeakPolarHBondContact CG2-OH 3.33Å
183	T	94.4	Very high	85.5	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.8	180	51.2	0	0	0	0	111.6	F53 Q56 K199 Q200 S239	F53-T183 HydrophobicContact CB-CG2 4.28Å; F53-T183 HydrophobicContact CD1-CG2 3.68Å; F53-T183 HydrophobicContact CD2-CG2 3.58Å; F53-T183 HydrophobicContact CE1-CG2 3.79Å; F53-T183 HydrophobicContact CE2-CG2 3.67Å; F53-T183 HydrophobicContact CG-CG2 3.57Å; F53-T183 HydrophobicContact CZ-CG2 3.77Å; Q56-T183 PolarHBondContact OE1-O 3.06Å; Q56-T183 PolarHBondContact OE1-OG1 3.43Å; T183-K199 WeakPolarHBondContact CA-O 3.49Å; T183-K199 WeakPolarHBondContact CB-O 3.33Å; T183-Q200 HydrophobicContact CG2-CB 3.75Å; T183-S239 WeakPolarHBondContact O-CB 3.16Å; T183-S239 PolarHBondContact O-OG 3.02Å
184	G	93.8	Very high	84.9	Confident	4 Å²	4	58.5 Å²	58.5	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-175.3	174	0	0	0	0	0	113.6	K199 D236	G184-K199 PolarHBondContact N-O 3.3Å; G184-K199 VanDerWaalsContact N-O 3.09Å; G184-K199 PolarHBondContact O-N 2.78Å; G184-D236 WeakPolarHBondContact CA-OD1 3.37Å
185	W	93.2	Very high	84.4	Confident	14 Å²	14	57.3 Å²	57.3	5%	0.053	30%	0.301	C	S	.	.	S	Bend	trans	-113.1	12.4	179.9	-63.3	-86.7	0	0	0	111.6	Q56 Q58 V114 H115 I117 A194 S195 L197 L198 D236	Q56-W185 HydrophobicContact CG-CH2 3.7Å; Q56-W185 HydrophobicContact CG-CZ3 3.7Å; Q58-W185 HydrophobicContact CB-CE3 4.23Å; Q58-W185 HydrophobicContact CB-CH2 4.35Å; Q58-W185 HydrophobicContact CB-CZ3 3.85Å; V114-W185 HydrophobicContact CG1-CH2 3.96Å; V114-W185 HydrophobicContact CG1-CZ2 3.86Å; V114-W185 WeakPolarHBondContact O-CZ2 3.47Å; H115-W185 PolarHBondContact O-NE1 3.33Å; I117-W185 HydrophobicContact CD1-CB 3.92Å; I117-W185 HydrophobicContact CD1-CG 3.98Å; I117-W185 HydrophobicContact CG1-CG 4.26Å; I117-W185 HydrophobicContact CG2-CD2 3.93Å; I117-W185 HydrophobicContact CG2-CG 4.08Å; I117-W185 HydrophobicContact CG2-CZ2 4.09Å; W185-A194 WeakPolarHBondContact O-CB 3.27Å; W185-S195 WeakPolarHBondContact CB-O 3.29Å; W185-S195 PolarHBondContact O-N 2.81Å; W185-L197 VanDerWaalsContact CD1-C 3.49Å; W185-L198 HydrophobicContact CD2-CD1 3.92Å; W185-L198 HydrophobicContact CE3-CD1 4.12Å; W185-L198 HydrophobicContact CH2-CD1 3.88Å; W185-L198 HydrophobicContact CZ2-CB 4Å; W185-L198 HydrophobicContact CZ2-CD1 3.64Å; W185-L198 HydrophobicContact CZ2-CG 4.27Å; W185-L198 HydrophobicContact CZ3-CD1 4.11Å; W185-D236 PolarHBondContact N-OD1 2.67Å
186	G	84.7	Confident	84.2	Confident	5 Å²	5	61.1 Å²	61.1	5%	0.052	32%	0.32	C	S	.	.			trans	-62.5	178.5	-178.3	0	0	0	0	0	113.6	S195 L234 D236	G186-S195 PolarHBondContact O-N 3.24Å; G186-L234 CarbonylContact C-O 3.54Å; G186-L234 WeakPolarHBondContact CA-O 3.08Å; G186-D236 VanDerWaalsContact CA-OD1 3.27Å; G186-D236 WeakPolarHBondContact CA-OD1 3.18Å; G186-D236 PolarHBondContact N-OD1 3.21Å
187	A	78.4	Confident	84.3	Confident	12 Å²	12	56.3 Å²	56.3	10%	0.099	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-65	141.7	-177.8	0	0	0	0	0	112	G189 G192 K193 C233 L234	A187-G189 WeakPolarHBondContact CB-O 3.43Å; A187-G189 PolarHBondContact O-N 3.09Å; A187-G192 WeakPolarHBondContact CB-O 3.49Å; A187-K193 WeakPolarHBondContact CA-O 3.44Å; A187-C233 HydrophobicContact CB-CB 4.48Å; A187-C233 WeakPolarHBondContact O-CB 3.46Å; A187-L234 HydrophobicContact CB-CB 4.28Å; A187-L234 PolarHBondContact N-O 3.43Å
188	D	66.7	Low	84.4	Confident	99 Å²	99	48.1 Å²	48.1	53%	0.529	26%	0.262	S	S	.	.	S	Bend	trans	-71	21.5	176.3	-76.6	-38.4	0	0	0	114.9	K193 K199	D188-K193 PolarHBondContact N-O 2.75Å; D188-K199 WeakPolarHBondContact OD1-CD 3.47Å; D188-K199 IonicContact OD1-NZ 2.84Å; D188-K199 PolarHBondContact OD1-NZ 3.1Å; D188-K199 IonicContact OD2-NZ 3.62Å; D188-K199 PolarHBondContact OD2-NZ 2.91Å
189	G	65.1	Low	84.4	Confident	21 Å²	21	48.7 Å²	48.7	22%	0.216	26%	0.261	C	S	.	.	S	Bend	trans	147.1	172.5	-174.7	0	0	0	0	0	111.1	A187 Y191 G192 C233	A187-G189 WeakPolarHBondContact CB-O 3.43Å; A187-G189 PolarHBondContact O-N 3.09Å; G189-Y191 PolarHBondContact O-N 3.37Å; G189-G192 PolarHBondContact O-N 3.19Å; G189-C233 PolarHBondContact O-SG 3.3Å
190	E	64.4	Low	84.4	Confident	89 Å²	89	46.5 Å²	46.5	42%	0.416	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.3	-174.1	-172.5	170.2	171.8	0	0	113.7	G260 C261	E190-G260 WeakPolarHBondContact OE2-CA 3.38Å; E190-C261 HydrophobicContact CB-CB 4.46Å
191	Y	68.8	Low	84.2	Confident	209 Å²	209	46.8 Å²	46.8	82%	0.82	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.7	17.9	175.4	-49.1	-65.4	0	0	0	112.6	G189	G189-Y191 PolarHBondContact O-N 3.37Å
192	G	68	Low	84	Confident	33 Å²	33	48.4 Å²	48.4	34%	0.34	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-77.8	164.2	-178.4	0	0	0	0	0	112.8	A187 G189	A187-G192 WeakPolarHBondContact CB-O 3.49Å; G189-G192 PolarHBondContact O-N 3.19Å
193	K	77.7	Confident	83.9	Confident	183 Å²	183	48.4 Å²	48.4	80%	0.796	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-85.7	147.4	169.2	-68.8	-179.5	-179.3	179.9	0	109.5	A187 D188	A187-K193 WeakPolarHBondContact CA-O 3.44Å; D188-K193 PolarHBondContact N-O 2.75Å
194	A	82.6	Confident	83.8	Confident	70 Å²	70	50.6 Å²	50.6	58%	0.579	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-58.6	146.2	167.4	0	0	0	0	0	110.4	W185	W185-A194 WeakPolarHBondContact O-CB 3.27Å
195	S	86.8	Confident	83.9	Confident	13 Å²	13	51.2 Å²	51.2	9%	0.091	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-88.9	135.5	178.1	-178.1	0	0	0	0	110.7	W185 G186 L197 K199	W185-S195 WeakPolarHBondContact CB-O 3.29Å; W185-S195 PolarHBondContact O-N 2.81Å; G186-S195 PolarHBondContact O-N 3.24Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 WeakPolarHBondContact CB-O 3.49Å; S195-L197 PolarHBondContact OG-N 2.82Å; S195-L197 PolarHBondContact OG-O 3.01Å; S195-K199 VanDerWaalsContact OG-CE 3.32Å; S195-K199 WeakPolarHBondContact OG-CE 3.33Å
196	N	91	Very high	83.9	Confident	95 Å²	95	51.4 Å²	51.4	51%	0.508	28%	0.275	S	S	.	.	S	Bend	trans	-72.9	-28.1	169.8	-69.1	-27.1	0	0	0	112	N116 I117 A118	N116-N196 CarbonylContact C-O 3.54Å; N116-N196 VanDerWaalsContact CA-O 3.29Å; N116-N196 WeakPolarHBondContact CA-O 3.42Å; N116-N196 PolarHBondContact OD1-O 3.35Å; I117-N196 VanDerWaalsContact CG1-O 3.31Å; I117-N196 WeakPolarHBondContact CG1-O 3.14Å; I117-N196 PolarHBondContact N-O 3Å; A118-N196 HydrophobicContact CB-CB 3.87Å
197	L	93.7	Very high	84.3	Confident	55 Å²	55	53.1 Å²	53.1	29%	0.288	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-99.3	144.3	-179.5	-57.1	176.5	0	0	0	110.1	E47 H115 N116 W185 S195 K199	E47-L197 HydrophobicContact CG-CB 4.09Å; E47-L197 HydrophobicContact CG-CD1 4.26Å; H115-L197 CarbonylContact O-C 3.49Å; H115-L197 WeakPolarHBondContact O-CA 3.42Å; N116-L197 HydrophobicContact CB-CD2 3.66Å; W185-L197 VanDerWaalsContact CD1-C 3.49Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 WeakPolarHBondContact CB-O 3.49Å; S195-L197 PolarHBondContact OG-N 2.82Å; S195-L197 PolarHBondContact OG-O 3.01Å; L197-K199 PolarHBondContact O-N 3.15Å
198	L	94.3	Very high	84.9	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	30%	0.295	C	S	.	.			trans	-62.7	127.2	176.2	-176.5	67.6	0	0	0	109.8	A48 F53 Q56 H115 W185	A48-L198 HydrophobicContact CB-CB 4.46Å; A48-L198 HydrophobicContact CB-CD2 4.18Å; A48-L198 HydrophobicContact CB-CG 4.12Å; A48-L198 WeakPolarHBondContact CB-O 3.43Å; A48-L198 PolarHBondContact N-O 3.37Å; F53-L198 HydrophobicContact CB-CD2 4.48Å; Q56-L198 HydrophobicContact CG-CD1 3.88Å; Q56-L198 HydrophobicContact CG-CD2 4.43Å; H115-L198 PolarHBondContact O-N 2.77Å; W185-L198 HydrophobicContact CD2-CD1 3.92Å; W185-L198 HydrophobicContact CE3-CD1 4.12Å; W185-L198 HydrophobicContact CH2-CD1 3.88Å; W185-L198 HydrophobicContact CZ2-CB 4Å; W185-L198 HydrophobicContact CZ2-CD1 3.64Å; W185-L198 HydrophobicContact CZ2-CG 4.27Å; W185-L198 HydrophobicContact CZ3-CD1 4.11Å
199	K	92.4	Very high	86	Confident	55 Å²	55	56.2 Å²	56.2	24%	0.239	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	156	175	-70.8	-179.1	171.5	-179.8	0	110.8	S46 T183 G184 D188 S195 L197	S46-K199 CarbonylContact O-C 3.55Å; S46-K199 VanDerWaalsContact O-CA 3.28Å; S46-K199 WeakPolarHBondContact O-CA 3.33Å; T183-K199 WeakPolarHBondContact CA-O 3.49Å; T183-K199 WeakPolarHBondContact CB-O 3.33Å; G184-K199 PolarHBondContact N-O 3.3Å; G184-K199 VanDerWaalsContact N-O 3.09Å; G184-K199 PolarHBondContact O-N 2.78Å; D188-K199 WeakPolarHBondContact OD1-CD 3.47Å; D188-K199 IonicContact OD1-NZ 2.84Å; D188-K199 PolarHBondContact OD1-NZ 3.1Å; D188-K199 IonicContact OD2-NZ 3.62Å; D188-K199 PolarHBondContact OD2-NZ 2.91Å; S195-K199 VanDerWaalsContact OG-CE 3.32Å; S195-K199 WeakPolarHBondContact OG-CE 3.33Å; L197-K199 PolarHBondContact O-N 3.15Å
200	Q	92	Very high	87.2	Confident	3 Å²	3	58.4 Å²	58.4	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.5	172.5	61.2	169.3	93.5	0	0	110.2	R34 G45 S46 A48 F53 V182 T183	R34-Q200 PolarHBondContact O-NE2 3.1Å; G45-Q200 CarbonylContact C-O 3.5Å; G45-Q200 WeakPolarHBondContact CA-O 3.01Å; S46-Q200 PolarHBondContact N-O 2.87Å; S46-Q200 PolarHBondContact O-N 3.04Å; A48-Q200 HydrophobicContact CB-CB 4.14Å; A48-Q200 HydrophobicContact CB-CG 4.06Å; F53-Q200 HydrophobicContact CE2-CB 3.89Å; F53-Q200 HydrophobicContact CE2-CG 4.38Å; F53-Q200 HydrophobicContact CZ-CB 4.13Å; V182-Q200 CarbonylContact O-C 3.57Å; V182-Q200 WeakPolarHBondContact O-CA 3.27Å; T183-Q200 HydrophobicContact CG2-CB 3.75Å
201	V	90.3	Very high	88.5	Confident	8 Å²	8	55 Å²	55	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.7	167.2	61	0	0	0	0	109.5	G44 F181 V182 V203 K230	G44-V201 WeakPolarHBondContact O-CB 3.15Å; G44-V201 WeakPolarHBondContact O-CG2 3.43Å; F181-V201 VanDerWaalsContact CA-O 3.3Å; F181-V201 WeakPolarHBondContact CA-O 3.43Å; V182-V201 HydrophobicContact CB-CG1 4.06Å; V182-V201 PolarHBondContact N-O 2.99Å; V182-V201 PolarHBondContact O-N 3.04Å; V201-V203 HydrophobicContact CG1-CG1 4.17Å; V201-V203 HydrophobicContact CG2-CG1 3.92Å; V201-K230 HydrophobicContact CG2-CB 3.78Å; V201-K230 HydrophobicContact CG2-CD 3.92Å; V201-K230 HydrophobicContact CG2-CG 3.92Å
202	E	91.8	Very high	89	Confident	39 Å²	39	46.8 Å²	46.8	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.7	171.7	-161.9	175.4	150.7	0	0	109.7	E36 C180 F181	E36-E202 HydrophobicContact CB-CB 4.48Å; E36-E202 HydrophobicContact CG-CB 3.74Å; E36-E202 PolarHBondContact N-OE2 2.88Å; E36-E202 PolarHBondContact OE1-N 2.9Å; C180-E202 CarbonylContact O-C 3.45Å; C180-E202 VanDerWaalsContact O-CA 3.28Å; C180-E202 WeakPolarHBondContact O-CA 3.29Å; C180-E202 WeakPolarHBondContact O-CG 3.45Å; F181-E202 HydrophobicContact CD1-CB 4.02Å; F181-E202 HydrophobicContact CD1-CG 4.21Å; F181-E202 HydrophobicContact CE1-CB 3.74Å; F181-E202 HydrophobicContact CE1-CG 3.73Å; F181-E202 HydrophobicContact CZ-CB 4.45Å; F181-E202 HydrophobicContact CZ-CG 3.94Å
203	V	91.3	Very high	89	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	29%	0.293	C	S	.	.			trans	-134.1	137.9	-177.3	-68.8	0	0	0	0	110.8	C180 V182 V201 A223 F225 L241	C180-V203 WeakPolarHBondContact CB-O 3.41Å; C180-V203 PolarHBondContact O-N 3.05Å; V182-V203 HydrophobicContact CG2-CG2 3.98Å; V201-V203 HydrophobicContact CG1-CG1 4.17Å; V201-V203 HydrophobicContact CG2-CG1 3.92Å; V203-A223 HydrophobicContact CB-CB 4.43Å; V203-A223 HydrophobicContact CG2-CB 3.91Å; V203-F225 HydrophobicContact CG1-CE2 4.43Å; V203-L241 HydrophobicContact CG2-CD1 3.64Å
204	P	93.3	Very high	88.6	Confident	49 Å²	49	50.7 Å²	50.7	32%	0.318	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-77.3	145.8	173.1	31.9	-33.8	0	0	0	110.3	L206 A223 G224 F225	P204-L206 HydrophobicContact CG-CD2 4.37Å; P204-A223 WeakPolarHBondContact O-CA 3.31Å; P204-A223 WeakPolarHBondContact O-CB 3.43Å; P204-G224 WeakPolarHBondContact CG-O 3.42Å; P204-G224 PolarHBondContact O-N 2.82Å; P204-F225 VanDerWaalsContact CD-CZ 3.47Å; P204-F225 HydrophobicContact CG-CD1 4.31Å; P204-F225 HydrophobicContact CG-CE1 4.01Å; P204-F225 HydrophobicContact CG-CZ 4.19Å
205	V	95.4	Very high	88.2	Confident	17 Å²	17	47.8 Å²	47.8	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.1	164.2	178.9	0	0	0	0	108.7	L174 L241	L174-V205 HydrophobicContact CB-CG1 4.15Å; L174-V205 HydrophobicContact CD1-CG1 4.12Å; V205-L241 HydrophobicContact CG2-CD2 4.18Å
206	L	94.2	Very high	88.1	Confident	19 Å²	19	48.3 Å²	48.3	10%	0.099	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	145.7	-175.1	-62.5	176.6	0	0	0	111.5	P204 M210 C222 G224 M226 P267	P204-L206 HydrophobicContact CG-CD2 4.37Å; L206-M210 HydrophobicContact CB-CB 4.34Å; L206-M210 HydrophobicContact CB-CE 4.26Å; L206-M210 HydrophobicContact CD1-CB 4.46Å; L206-M210 HydrophobicContact CD2-CE 3.91Å; L206-M210 HydrophobicContact CD2-SD 4.47Å; L206-C222 HydrophobicContact CB-CB 4.48Å; L206-C222 PolarHBondContact N-O 2.89Å; L206-G224 WeakPolarHBondContact CD2-O 3.47Å; L206-M226 HydrophobicContact CD1-SD 3.98Å; L206-P267 HydrophobicContact CD1-CB 3.58Å; L206-P267 HydrophobicContact CD1-CG 3.79Å
207	P	92.6	Very high	87.9	Confident	41 Å²	41	47.5 Å²	47.5	27%	0.266	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-47.1	141.3	159.7	-26.8	24.6	0	0	0	113	S209 M210	P207-S209 PolarHBondContact O-N 2.85Å; P207-S209 VanDerWaalsContact O-N 3.1Å; P207-M210 HydrophobicContact CB-CE 4.08Å; P207-M210 HydrophobicContact CG-CE 3.54Å; P207-M210 WeakPolarHBondContact O-CB 3.39Å; P207-M210 PolarHBondContact O-N 2.03Å
208	Q	89.8	Confident	87.7	Confident	64 Å²	64	50.7 Å²	50.7	30%	0.299	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-55.2	-30.8	178.9	-173.7	61.8	27.1	0	0	113.5	M210 C211 A215 P217	Q208-M210 PolarHBondContact O-N 2.77Å; Q208-M210 VanDerWaalsContact O-N 3.15Å; Q208-C211 VanDerWaalsContact O-CB 3.23Å; Q208-C211 WeakPolarHBondContact O-CB 3.33Å; Q208-C211 PolarHBondContact O-N 2.89Å; Q208-A215 PolarHBondContact NE2-O 3.39Å; Q208-A215 VanDerWaalsContact NE2-O 3.1Å; Q208-P217 HydrophobicContact CG-CB 3.77Å
209	S	90.4	Very high	87.8	Confident	111 Å²	111	52.6 Å²	52.6	78%	0.776	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.7	-14.9	176.9	60.8	0	0	0	0	114	P207	P207-S209 PolarHBondContact O-N 2.85Å; P207-S209 VanDerWaalsContact O-N 3.1Å
210	M	91.3	Very high	87.9	Confident	67 Å²	67	50.3 Å²	50.3	33%	0.33	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-98.2	-5.8	172.9	-69.7	-168.6	-82.6	0	0	112.8	L206 P207 Q208 M226	L206-M210 HydrophobicContact CB-CB 4.34Å; L206-M210 HydrophobicContact CB-CE 4.26Å; L206-M210 HydrophobicContact CD1-CB 4.46Å; L206-M210 HydrophobicContact CD2-CE 3.91Å; L206-M210 HydrophobicContact CD2-SD 4.47Å; P207-M210 HydrophobicContact CB-CE 4.08Å; P207-M210 HydrophobicContact CG-CE 3.54Å; P207-M210 WeakPolarHBondContact O-CB 3.39Å; P207-M210 PolarHBondContact O-N 2.03Å; Q208-M210 PolarHBondContact O-N 2.77Å; Q208-M210 VanDerWaalsContact O-N 3.15Å; M210-M226 HydrophobicContact CB-CE 4.45Å; M210-M226 HydrophobicContact CB-SD 4.07Å; M210-M226 HydrophobicContact SD-CG 3.86Å; M210-M226 HydrophobicContact SD-SD 4.34Å
211	C	89.9	Confident	88.1	Confident	18 Å²	18	50.1 Å²	50.1	12%	0.122	27%	0.271	C	S	.	.	S	Bend	trans	-70.6	147.7	164.2	-72.4	0	0	0	0	110	Q208 A215 C222	Q208-C211 VanDerWaalsContact O-CB 3.23Å; Q208-C211 WeakPolarHBondContact O-CB 3.33Å; Q208-C211 PolarHBondContact O-N 2.89Å; C211-A215 HydrophobicContact CB-CB 3.72Å; C211-C222 WeakPolarHBondContact CA-SG 3.45Å; C211-C222 HydrophobicContact CB-CB 4.21Å; C211-C222 WeakPolarHBondContact CB-SG 3.43Å; C211-C222 WeakPolarHBondContact SG-CB 3.41Å; C211-C222 PolarHBondContact SG-N 2.82Å; C211-C222 VanDerWaalsContact SG-N 3.43Å; C211-C222 CovalentContact SG-SG 2.02Å; C211-C222 PolarHBondContact SG-SG 2.97Å
212	W	81.3	Confident	88.3	Confident	36 Å²	36	49.8 Å²	49.8	14%	0.136	27%	0.269	C	S	.	.			trans	-86	161.6	174.5	57.1	-82.4	0	0	0	111	N214 A215 F257 H259 Y266 V269	W212-N214 VanDerWaalsContact C-N 3.26Å; W212-N214 HydrophobicContact CE3-CB 3.93Å; W212-N214 HydrophobicContact CH2-CB 4Å; W212-N214 HydrophobicContact CZ3-CB 3.47Å; W212-N214 VanDerWaalsContact CZ3-CB 3.47Å; W212-N214 VanDerWaalsContact CZ3-CG 3.49Å; W212-N214 VanDerWaalsContact CZ3-ND2 3.27Å; W212-N214 WeakPolarHBondContact CZ3-ND2 3.32Å; W212-N214 PolarHBondContact O-N 3.4Å; W212-A215 WeakPolarHBondContact O-CB 3.49Å; W212-A215 PolarHBondContact O-N 2.74Å; W212-F257 AromaticContact CH2-CD2 3.76Å; W212-F257 HydrophobicContact CH2-CD2 3.76Å; W212-F257 AromaticContact CH2-CE2 3.44Å; W212-F257 HydrophobicContact CH2-CE2 3.44Å; W212-F257 VanDerWaalsContact CH2-CE2 3.44Å; W212-F257 AromaticContact CZ2-CD2 3.51Å; W212-F257 HydrophobicContact CZ2-CD2 3.51Å; W212-F257 AromaticContact CZ2-CE2 3.27Å; W212-F257 HydrophobicContact CZ2-CE2 3.27Å; W212-F257 HydrophobicContact CZ2-CZ 4.48Å; W212-F257 HydrophobicContact CZ3-CE2 4.44Å; W212-H259 AromaticContact CD2-CD2 3.68Å; W212-H259 AromaticContact CD2-NE2 3.99Å; W212-H259 AromaticContact CE2-CD2 3.58Å; W212-H259 AromaticContact CE3-CD2 3.61Å; W212-H259 AromaticContact CE3-NE2 3.41Å; W212-H259 AromaticContact CH2-CD2 3.36Å; W212-H259 WeakPolarHBondContact CH2-CD2 3.4Å; W212-H259 AromaticContact CH2-CE1 3.87Å; W212-H259 AromaticContact CH2-NE2 3.16Å; W212-H259 WeakPolarHBondContact CH2-NE2 3.43Å; W212-H259 AromaticContact CZ2-CD2 3.44Å; W212-H259 VanDerWaalsContact CZ2-CD2 3.44Å; W212-H259 WeakPolarHBondContact CZ2-CD2 3.2Å; W212-H259 AromaticContact CZ2-NE2 3.79Å; W212-H259 AromaticContact CZ3-CD2 3.44Å; W212-H259 VanDerWaalsContact CZ3-CD2 3.44Å; W212-H259 WeakPolarHBondContact CZ3-CD2 3.27Å; W212-H259 AromaticContact CZ3-CE1 3.9Å; W212-H259 AromaticContact CZ3-NE2 2.93Å; W212-H259 WeakPolarHBondContact CZ3-NE2 3.29Å; W212-Y266 HydrophobicContact CG-CD1 4.31Å; W212-V269 HydrophobicContact CZ2-CG2 4.06Å; W212-V269 VanDerWaalsContact NE1-CG2 3.27Å
213	Q	67.9	Low	88.3	Confident	199 Å²	199	47.9 Å²	47.9	93%	0.93	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25	-158	-85.8	177.9	21.8	0	0	117	A215	Q213-A215 PolarHBondContact O-N 3.21Å
214	N	68	Low	88.3	Confident	100 Å²	100	47.9 Å²	47.9	54%	0.535	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.1	-179.3	-67.5	-3.2	0	0	0	113.5	W212 S216 F257	W212-N214 VanDerWaalsContact C-N 3.26Å; W212-N214 HydrophobicContact CE3-CB 3.93Å; W212-N214 HydrophobicContact CH2-CB 4Å; W212-N214 HydrophobicContact CZ3-CB 3.47Å; W212-N214 VanDerWaalsContact CZ3-CB 3.47Å; W212-N214 VanDerWaalsContact CZ3-CG 3.49Å; W212-N214 VanDerWaalsContact CZ3-ND2 3.27Å; W212-N214 WeakPolarHBondContact CZ3-ND2 3.32Å; W212-N214 PolarHBondContact O-N 3.4Å; N214-S216 PolarHBondContact O-N 3.17Å; N214-F257 HydrophobicContact CB-CE2 4.38Å
215	A	74.3	Confident	88.2	Confident	8 Å²	8	48.2 Å²	48.2	7%	0.066	26%	0.257	C	S	.	.			trans	-81.2	110.7	179.7	0	0	0	0	0	111.6	Q208 C211 W212 Q213 T220 V269	Q208-A215 PolarHBondContact NE2-O 3.39Å; Q208-A215 VanDerWaalsContact NE2-O 3.1Å; C211-A215 HydrophobicContact CB-CB 3.72Å; W212-A215 WeakPolarHBondContact O-CB 3.49Å; W212-A215 PolarHBondContact O-N 2.74Å; Q213-A215 PolarHBondContact O-N 3.21Å; A215-T220 WeakPolarHBondContact CA-OG1 3.46Å; A215-T220 WeakPolarHBondContact CB-OG1 3.42Å; A215-V269 HydrophobicContact CB-CG1 4.32Å
216	S	85.7	Confident	87.9	Confident	24 Å²	24	50.4 Å²	50.4	17%	0.168	27%	0.267	C	S	.	.			trans	-64.8	124.4	170.5	170	0	0	0	0	110.5	N214 E218 K219 T220	N214-S216 PolarHBondContact O-N 3.17Å; S216-E218 PolarHBondContact O-N 3.24Å; S216-K219 PolarHBondContact O-N 3.46Å; S216-T220 PolarHBondContact N-OG1 3.18Å; S216-T220 VanDerWaalsContact N-OG1 3.17Å; S216-T220 WeakPolarHBondContact O-CB 3.29Å; S216-T220 PolarHBondContact O-N 3Å; S216-T220 PolarHBondContact O-OG1 3.44Å
217	P	85.6	Confident	87.7	Confident	78 Å²	78	57.5 Å²	57.5	51%	0.506	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-25	-173.9	27	-36.4	0	0	0	114	Q208	Q208-P217 HydrophobicContact CG-CB 3.77Å
218	E	90.4	Very high	87.4	Confident	122 Å²	122	55.7 Å²	55.7	57%	0.57	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-39.8	179.4	-64.3	-177.1	178.1	0	0	112	S216 H275	S216-E218 PolarHBondContact O-N 3.24Å; E218-H275 VanDerWaalsContact O-CB 3.28Å; E218-H275 WeakPolarHBondContact O-CB 3.19Å; E218-H275 PolarHBondContact O-ND1 2.89Å
219	K	95.1	Very high	87	Confident	45 Å²	45	59.3 Å²	59.3	20%	0.196	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-18.5	-170.2	-64.1	171	-176.7	165.4	0	113.7	E144 S216 R272 Y276	E144-K219 HydrophobicContact CB-CD 4.38Å; E144-K219 HydrophobicContact CG-CD 4.13Å; E144-K219 WeakPolarHBondContact OE1-CD 3.49Å; E144-K219 IonicContact OE1-NZ 2.6Å; E144-K219 PolarHBondContact OE1-NZ 2.64Å; E144-K219 IonicContact OE2-NZ 3.96Å; E144-K219 PolarHBondContact OE2-NZ 3.04Å; S216-K219 PolarHBondContact O-N 3.46Å; K219-R272 WeakPolarHBondContact O-CB 3.37Å; K219-R272 PolarHBondContact O-N 2.85Å; K219-Y276 HydrophobicContact CB-CE2 4.17Å; K219-Y276 WeakPolarHBondContact CB-OH 3.5Å; K219-Y276 WeakPolarHBondContact CG-OH 3.47Å
220	T	95.5	Very high	86.6	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	164	-175.5	68.5	0	0	0	0	111.7	A215 S216 V269 Y270	A215-T220 WeakPolarHBondContact CA-OG1 3.46Å; A215-T220 WeakPolarHBondContact CB-OG1 3.42Å; S216-T220 PolarHBondContact N-OG1 3.18Å; S216-T220 VanDerWaalsContact N-OG1 3.17Å; S216-T220 WeakPolarHBondContact O-CB 3.29Å; S216-T220 PolarHBondContact O-N 3Å; S216-T220 PolarHBondContact O-OG1 3.44Å; T220-V269 HydrophobicContact CG2-CG1 4.2Å; T220-Y270 CarbonylContact C-O 3.44Å; T220-Y270 VanDerWaalsContact CA-O 3.22Å; T220-Y270 WeakPolarHBondContact CA-O 3.16Å; T220-Y270 WeakPolarHBondContact CB-O 3.41Å
221	L	95.6	Very high	86.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.8	167.3	67	84.3	0	0	0	109	L174 A223 L241 Y252 Y270 R272	L174-L221 HydrophobicContact CD1-CB 3.61Å; L174-L221 HydrophobicContact CD1-CD2 4.34Å; L174-L221 HydrophobicContact CD2-CB 4.4Å; L174-L221 HydrophobicContact CD2-CD2 3.62Å; L221-A223 HydrophobicContact CD1-CB 4.39Å; L221-L241 HydrophobicContact CD1-CD2 3.58Å; L221-Y252 VanDerWaalsContact CD2-O 3.24Å; L221-Y252 WeakPolarHBondContact CD2-O 3.5Å; L221-Y270 HydrophobicContact CD1-CD2 3.76Å; L221-Y270 HydrophobicContact CD1-CG 3.93Å; L221-Y270 PolarHBondContact N-O 2.86Å; L221-Y270 PolarHBondContact O-N 2.94Å; L221-R272 HydrophobicContact CD2-CB 4.39Å; L221-R272 HydrophobicContact CD2-CG 4.47Å
222	C	94.3	Very high	85.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.9	169.9	-54.1	0	0	0	0	111.2	L206 C211 P267 G268	L206-C222 HydrophobicContact CB-CB 4.48Å; L206-C222 PolarHBondContact N-O 2.89Å; C211-C222 WeakPolarHBondContact CA-SG 3.45Å; C211-C222 HydrophobicContact CB-CB 4.21Å; C211-C222 WeakPolarHBondContact CB-SG 3.43Å; C211-C222 WeakPolarHBondContact SG-CB 3.41Å; C211-C222 PolarHBondContact SG-N 2.82Å; C211-C222 VanDerWaalsContact SG-N 3.43Å; C211-C222 CovalentContact SG-SG 2.02Å; C211-C222 PolarHBondContact SG-SG 2.97Å; C222-P267 HydrophobicContact CB-CB 4.19Å; C222-P267 HydrophobicContact CB-CG 3.92Å; C222-G268 VanDerWaalsContact CA-O 3.32Å; C222-G268 WeakPolarHBondContact CA-O 3.31Å
223	A	93.2	Very high	85.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.8	173.1	0	0	0	0	0	110.1	V203 P204 L221 L241 G268 Y270	V203-A223 HydrophobicContact CB-CB 4.43Å; V203-A223 HydrophobicContact CG2-CB 3.91Å; P204-A223 WeakPolarHBondContact O-CA 3.31Å; P204-A223 WeakPolarHBondContact O-CB 3.43Å; L221-A223 HydrophobicContact CD1-CB 4.39Å; A223-L241 HydrophobicContact CB-CD1 4.27Å; A223-L241 HydrophobicContact CB-CD2 3.77Å; A223-G268 PolarHBondContact N-O 2.83Å; A223-G268 PolarHBondContact O-N 2.86Å; A223-Y270 HydrophobicContact CB-CD2 4.18Å; A223-Y270 HydrophobicContact CB-CE2 3.69Å
224	G	90.9	Very high	86.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.01	24%	0.239	C	C	.	.	S	Bend	trans	130	-162.6	-177.6	0	0	0	0	0	111.9	P204 L206	P204-G224 WeakPolarHBondContact CG-O 3.42Å; P204-G224 PolarHBondContact O-N 2.82Å; L206-G224 WeakPolarHBondContact CD2-O 3.47Å
225	F	90	Very high	86.8	Confident	56 Å²	56	44.7 Å²	44.7	25%	0.246	22%	0.223	C	C	.	.			trans	-120.4	137.7	-177.8	-60.7	-93.1	0	0	0	110.4	V203 P204 R227 G228 K230	V203-F225 HydrophobicContact CG1-CE2 4.43Å; P204-F225 VanDerWaalsContact CD-CZ 3.47Å; P204-F225 HydrophobicContact CG-CD1 4.31Å; P204-F225 HydrophobicContact CG-CE1 4.01Å; P204-F225 HydrophobicContact CG-CZ 4.19Å; F225-R227 HydrophobicContact CB-CG 3.91Å; F225-R227 PolarHBondContact O-N 2.89Å; F225-R227 VanDerWaalsContact O-N 3.12Å; F225-G228 WeakPolarHBondContact O-CA 3.31Å; F225-G228 PolarHBondContact O-N 2.82Å; F225-K230 HydrophobicContact CD2-CB 3.9Å; F225-K230 HydrophobicContact CD2-CD 3.99Å; F225-K230 HydrophobicContact CD2-CG 4.48Å; F225-K230 HydrophobicContact CE2-CB 4.17Å; F225-K230 HydrophobicContact CE2-CD 3.57Å; F225-K230 HydrophobicContact CE2-CG 4.48Å; F225-K230 HydrophobicContact CZ-CD 4.45Å
226	M	90	Very high	87.6	Confident	64 Å²	64	45 Å²	45	32%	0.315	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.9	176.9	-60.9	-50.6	-73.5	0	0	113.2	L206 M210 G228 K264 S265 P267	L206-M226 HydrophobicContact CD1-SD 3.98Å; M210-M226 HydrophobicContact CB-CE 4.45Å; M210-M226 HydrophobicContact CB-SD 4.07Å; M210-M226 HydrophobicContact SD-CG 3.86Å; M210-M226 HydrophobicContact SD-SD 4.34Å; M226-G228 PolarHBondContact O-N 2.87Å; M226-K264 WeakPolarHBondContact O-CG 3.27Å; M226-S265 PolarHBondContact O-N 2.84Å; M226-P267 HydrophobicContact SD-CG 4.15Å
227	R	89.5	Confident	88	Confident	167 Å²	167	45 Å²	45	63%	0.63	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.8	170	67.8	-177.9	177.9	179.5	-2.1	113.9	F225	F225-R227 HydrophobicContact CB-CG 3.91Å; F225-R227 PolarHBondContact O-N 2.89Å; F225-R227 VanDerWaalsContact O-N 3.12Å
228	G	86.7	Confident	88.6	Confident	3 Å²	3	41.2 Å²	41.2	3%	0.031	20%	0.198	C	C	.	.			trans	71.5	-145.9	-172.9	0	0	0	0	0	112.9	F225 M226 K230 G262	F225-G228 WeakPolarHBondContact O-CA 3.31Å; F225-G228 PolarHBondContact O-N 2.82Å; M226-G228 PolarHBondContact O-N 2.87Å; G228-K230 PolarHBondContact O-N 3.33Å; G228-K230 VanDerWaalsContact O-N 3.1Å; G228-G262 CarbonylContact C-O 3.56Å; G228-G262 WeakPolarHBondContact CA-O 3.31Å
229	K	81.8	Confident	89	Confident	141 Å²	141	35.4 Å²	35.4	61%	0.613	17%	0.171	S	C	*	.	S	Bend	trans	69	-15.7	176.5	-53.9	-176.5	176.2	-173.4	0	117.5	V43 G44 G262	V43-K229 HydrophobicContact CG1-CB 4.41Å; G44-K229 WeakPolarHBondContact CA-O 3.02Å; G44-K229 PolarHBondContact N-O 2.78Å; G44-K229 VanDerWaalsContact N-O 3.12Å; K229-G262 PolarHBondContact N-O 3.43Å
230	K	81.7	Confident	89.2	Confident	39 Å²	39	33.3 Å²	33.3	17%	0.17	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-136	117.7	-179.9	-76.7	-173.7	176.3	-171.4	0	108.3	E36 V201 F225 G228	E36-K230 VanDerWaalsContact CD-NZ 3.34Å; E36-K230 IonicContact OE1-NZ 3.42Å; E36-K230 PolarHBondContact OE1-NZ 2.76Å; E36-K230 IonicContact OE2-NZ 2.53Å; E36-K230 PolarHBondContact OE2-NZ 3.02Å; V201-K230 HydrophobicContact CG2-CB 3.78Å; V201-K230 HydrophobicContact CG2-CD 3.92Å; V201-K230 HydrophobicContact CG2-CG 3.92Å; F225-K230 HydrophobicContact CD2-CB 3.9Å; F225-K230 HydrophobicContact CD2-CD 3.99Å; F225-K230 HydrophobicContact CD2-CG 4.48Å; F225-K230 HydrophobicContact CE2-CB 4.17Å; F225-K230 HydrophobicContact CE2-CD 3.57Å; F225-K230 HydrophobicContact CE2-CG 4.48Å; F225-K230 HydrophobicContact CZ-CD 4.45Å; G228-K230 PolarHBondContact O-N 3.33Å; G228-K230 VanDerWaalsContact O-N 3.1Å
231	D	80.6	Confident	89.3	Confident	24 Å²	24	33 Å²	33	13%	0.128	16%	0.16	C	C	.	.			trans	-166.6	165.1	-173.3	-155.7	1.1	0	0	0	110.7	G262 G268	D231-G262 PolarHBondContact OD2-N 3.08Å; D231-G268 WeakPolarHBondContact OD1-CA 3.37Å
232	A	81.8	Confident	89.4	Confident	10 Å²	10	33 Å²	33	8%	0.083	16%	0.161	C	C	.	.			trans	-74.5	156.9	159.9	0	0	0	0	0	109.6	V182 D236 V255	V182-A232 HydrophobicContact CG1-CB 4.08Å; A232-D236 HydrophobicContact CB-CB 4.06Å; A232-V255 HydrophobicContact CB-CG1 3.73Å; A232-V255 HydrophobicContact CB-CG2 3.93Å
233	C	83.7	Confident	89.6	Confident	12 Å²	12	33 Å²	33	8%	0.081	16%	0.161	C	C	.	.			trans	-141.1	-168.5	178.1	-161.2	0	0	0	0	112.6	A187 G189 G235 D236 C261	A187-C233 HydrophobicContact CB-CB 4.48Å; A187-C233 WeakPolarHBondContact O-CB 3.46Å; G189-C233 PolarHBondContact O-SG 3.3Å; C233-G235 PolarHBondContact O-N 3.31Å; C233-D236 PolarHBondContact N-OD2 3.11Å; C233-D236 WeakPolarHBondContact O-CB 3.41Å; C233-D236 PolarHBondContact O-N 3.1Å; C233-C261 WeakPolarHBondContact CA-SG 2.98Å; C233-C261 HydrophobicContact CB-CB 3.67Å; C233-C261 WeakPolarHBondContact CB-SG 3.35Å; C233-C261 WeakPolarHBondContact SG-CB 3.38Å; C233-C261 CovalentContact SG-SG 2.02Å; C233-C261 PolarHBondContact SG-SG 3.11Å
234	L	77	Confident	89.8	Confident	120 Å²	120	37.4 Å²	37.4	63%	0.628	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	123.1	-179.6	-63.9	175.4	0	0	0	110.8	G186 A187	G186-L234 CarbonylContact C-O 3.54Å; G186-L234 WeakPolarHBondContact CA-O 3.08Å; A187-L234 HydrophobicContact CB-CB 4.28Å; A187-L234 PolarHBondContact N-O 3.43Å
235	G	80.6	Confident	90.1	Very high	19 Å²	19	40.2 Å²	40.2	20%	0.196	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	-16.9	-177	0	0	0	0	0	114.7	C233	C233-G235 PolarHBondContact O-N 3.31Å
236	D	90.2	Very high	90.3	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.08	22%	0.215	C	C	.	.			trans	-85.1	-11.8	175.1	-60.4	-41.6	0	0	0	113	G184 W185 G186 A232 C233 G238 S239 V255	G184-D236 WeakPolarHBondContact CA-OD1 3.37Å; W185-D236 PolarHBondContact N-OD1 2.67Å; G186-D236 VanDerWaalsContact CA-OD1 3.27Å; G186-D236 WeakPolarHBondContact CA-OD1 3.18Å; G186-D236 PolarHBondContact N-OD1 3.21Å; A232-D236 HydrophobicContact CB-CB 4.06Å; C233-D236 PolarHBondContact N-OD2 3.11Å; C233-D236 WeakPolarHBondContact O-CB 3.41Å; C233-D236 PolarHBondContact O-N 3.1Å; D236-G238 PolarHBondContact O-N 3.38Å; D236-S239 WeakPolarHBondContact O-CB 3.48Å; D236-S239 PolarHBondContact O-N 2.95Å; D236-S239 PolarHBondContact O-OG 3.41Å; D236-V255 HydrophobicContact CB-CG1 4.45Å; D236-V255 WeakPolarHBondContact O-CB 3.48Å
237	S	95.1	Very high	90.4	Very high	22 Å²	22	45.8 Å²	45.8	15%	0.154	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.2	133.6	174	-75.3	0	0	0	0	112.8	C71 G72 H94 S239	C71-S237 CarbonylContact C-O 3.52Å; C71-S237 WeakPolarHBondContact CA-O 3.4Å; C71-S237 VanDerWaalsContact CB-O 3.24Å; C71-S237 WeakPolarHBondContact CB-O 3.29Å; G72-S237 PolarHBondContact N-O 3.16Å; H94-S237 PolarHBondContact CE1-OG 2.85Å; H94-S237 WeakPolarHBondContact NE2-CB 3.49Å; H94-S237 PolarHBondContact NE2-OG 3.46Å; S237-S239 PolarHBondContact O-N 2.87Å
238	G	98.1	Very high	90.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-10.4	-177.1	0	0	0	0	0	115.5	G72 G73 T91 D236 V255	G72-G238 CarbonylContact O-C 3.56Å; G73-G238 WeakPolarHBondContact CA-O 3.37Å; T91-G238 WeakPolarHBondContact OG1-CA 3.29Å; D236-G238 PolarHBondContact O-N 3.38Å; G238-V255 PolarHBondContact N-O 2.85Å
239	S	97.8	Very high	91.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.			trans	-68.5	157.6	174.2	-54.6	0	0	0	0	111.8	Q56 G72 T183 D236 S237 I254 V255	Q56-S239 PolarHBondContact NE2-OG 3.13Å; G72-S239 WeakPolarHBondContact CA-OG 3.24Å; T183-S239 WeakPolarHBondContact O-CB 3.16Å; T183-S239 PolarHBondContact O-OG 3.02Å; D236-S239 WeakPolarHBondContact O-CB 3.48Å; D236-S239 PolarHBondContact O-N 2.95Å; D236-S239 PolarHBondContact O-OG 3.41Å; S237-S239 PolarHBondContact O-N 2.87Å; S239-I254 WeakPolarHBondContact O-CA 3.49Å; S239-V255 WeakPolarHBondContact O-CG2 3.47Å; S239-V255 PolarHBondContact O-N 2.93Å
240	A	98.6	Very high	92.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.7	-179.5	0	0	0	0	0	112.3	V242 Q251	A240-V242 HydrophobicContact CB-CG1 3.66Å; A240-Q251 VanDerWaalsContact CB-CD 3.48Å; A240-Q251 HydrophobicContact CB-CG 3.74Å
241	L	98.1	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110.6	153.9	174.7	73.8	0	0	0	107.8	C180 F181 V182 V203 V205 L221 A223 Q251 Y252 G253 Y270	C180-L241 HydrophobicContact CB-CD1 3.95Å; C180-L241 HydrophobicContact CB-CG 4.49Å; F181-L241 WeakPolarHBondContact O-CA 3.43Å; V182-L241 HydrophobicContact CG2-CB 4.12Å; V182-L241 HydrophobicContact CG2-CD1 3.34Å; V182-L241 HydrophobicContact CG2-CG 4.32Å; V203-L241 HydrophobicContact CG2-CD1 3.64Å; V205-L241 HydrophobicContact CG2-CD2 4.18Å; L221-L241 HydrophobicContact CD1-CD2 3.58Å; A223-L241 HydrophobicContact CB-CD1 4.27Å; A223-L241 HydrophobicContact CB-CD2 3.77Å; L241-Q251 WeakPolarHBondContact O-CA 2.96Å; L241-Y252 PolarHBondContact O-N 3.48Å; L241-G253 PolarHBondContact N-O 3.33Å; L241-G253 PolarHBondContact O-N 2.79Å; L241-Y270 HydrophobicContact CB-CD1 3.79Å; L241-Y270 HydrophobicContact CB-CE1 3.93Å; L241-Y270 HydrophobicContact CD2-CD1 4.32Å; L241-Y270 HydrophobicContact CD2-CD2 4.48Å; L241-Y270 HydrophobicContact CD2-CE1 4.5Å; L241-Y270 HydrophobicContact CD2-CG 4.33Å
242	V	98.5	Very high	93.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.7	-176.4	-58.8	0	0	0	0	111.1	F53 W55 V165 C180 F181 A240 Y249 V250 Q251	F53-V242 HydrophobicContact CD1-CG2 4.21Å; F53-V242 HydrophobicContact CE1-CG2 4.03Å; W55-V242 HydrophobicContact CZ2-CB 4.49Å; W55-V242 HydrophobicContact CZ2-CG1 4.37Å; W55-V242 HydrophobicContact CZ2-CG2 4.05Å; V165-V242 HydrophobicContact CG2-CB 4.47Å; V165-V242 HydrophobicContact CG2-CG1 3.71Å; C180-V242 CarbonylContact C-O 3.6Å; C180-V242 WeakPolarHBondContact CA-O 3.33Å; F181-V242 HydrophobicContact CB-CG2 4.12Å; F181-V242 PolarHBondContact N-O 3.39Å; F181-V242 PolarHBondContact O-N 2.89Å; A240-V242 HydrophobicContact CB-CG1 3.66Å; V242-Y249 HydrophobicContact CB-CD1 4.45Å; V242-Y249 HydrophobicContact CG2-CD1 4.01Å; V242-V250 CarbonylContact C-O 3.56Å; V242-V250 VanDerWaalsContact CA-O 3.32Å; V242-V250 WeakPolarHBondContact CA-O 3.13Å; V242-Q251 HydrophobicContact CG1-CB 4.26Å
243	C	98	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.9	178.9	-62.7	0	0	0	0	110.6	P175 V178 P179 C180 I245 Y249 V250 Y252	P175-C243 HydrophobicContact CG-CB 3.79Å; V178-C243 HydrophobicContact CG2-CB 3.98Å; P179-C243 WeakPolarHBondContact O-CA 3.09Å; C180-C243 HydrophobicContact CB-CB 4.04Å; C180-C243 WeakPolarHBondContact CB-SG 3.31Å; C180-C243 WeakPolarHBondContact SG-CB 3.31Å; C180-C243 CovalentContact SG-SG 2.04Å; C180-C243 PolarHBondContact SG-SG 2.9Å; C243-I245 HydrophobicContact CB-CD1 4.34Å; C243-I245 PolarHBondContact O-N 3.05Å; C243-Y249 WeakPolarHBondContact O-CA 3.3Å; C243-V250 PolarHBondContact N-O 3.26Å; C243-V250 PolarHBondContact O-N 3.08Å; C243-Y252 HydrophobicContact CB-CD2 3.76Å; C243-Y252 HydrophobicContact CB-CE2 3.95Å
244	K	96.8	Very high	95.3	Very high	92 Å²	92	31.5 Å²	31.5	40%	0.4	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	106	178.5	-170.7	-179.2	-179.9	-176.1	0	110.6	P179 Q248 Y249	P179-K244 PolarHBondContact O-N 2.8Å; K244-Q248 CarbonylContact C-O 3.39Å; K244-Q248 WeakPolarHBondContact CA-O 3.36Å; K244-Y249 HydrophobicContact CB-CD1 4.29Å; K244-Y249 HydrophobicContact CB-CE1 3.99Å; K244-Y249 HydrophobicContact CG-CE1 4.42Å
245	I	97.1	Very high	96.2	Very high	59 Å²	59	26.3 Å²	26.3	30%	0.303	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106.2	176.6	-49.2	-57	0	0	0	108.5	P175 V178 C243 K247 Q248 V250 Y252	P175-I245 HydrophobicContact CB-CD1 3.71Å; P175-I245 HydrophobicContact CG-CD1 4.21Å; V178-I245 HydrophobicContact CG2-CD1 4.27Å; C243-I245 HydrophobicContact CB-CD1 4.34Å; C243-I245 PolarHBondContact O-N 3.05Å; I245-K247 PolarHBondContact O-N 3.49Å; I245-Q248 PolarHBondContact N-O 3.38Å; I245-Q248 PolarHBondContact O-N 3.3Å; I245-V250 HydrophobicContact CB-CG2 4.04Å; I245-V250 HydrophobicContact CG1-CB 4.13Å; I245-V250 HydrophobicContact CG1-CG2 3.8Å; I245-Y252 HydrophobicContact CD1-CE2 4.05Å; I245-Y252 HydrophobicContact CG1-CE2 3.95Å
246	G	94.4	Very high	96.9	Very high	67 Å²	67	25.7 Å²	25.7	69%	0.691	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	-110.7	-171.6	0	0	0	0	0	111.9
247	K	93.2	Very high	96.9	Very high	170 Å²	170	26.3 Å²	26.3	74%	0.739	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-4.7	179.3	-64.9	-177.3	-177.3	176.1	0	113.9	I245	I245-K247 PolarHBondContact O-N 3.49Å
248	Q	96.3	Very high	96.5	Very high	63 Å²	63	27 Å²	27	29%	0.294	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.4	-174.9	-71.1	175.9	-73.1	0	0	111.5	C26 G27 R28 C166 K244 I245	C26-Q248 PolarHBondContact O-NE2 3.1Å; G27-Q248 CarbonylContact O-C 3.38Å; G27-Q248 WeakPolarHBondContact O-CA 3.48Å; R28-Q248 HydrophobicContact CG-CG 3.88Å; C166-Q248 PolarHBondContact SG-NE2 2.89Å; K244-Q248 CarbonylContact C-O 3.39Å; K244-Q248 WeakPolarHBondContact CA-O 3.36Å; I245-Q248 PolarHBondContact N-O 3.38Å; I245-Q248 PolarHBondContact O-N 3.3Å
249	Y	98.2	Very high	95.8	Very high	19 Å²	19	30.9 Å²	30.9	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.4	166.9	-72	-93.7	0	0	0	109.3	G27 P29 P33 W55 V165 C166 F181 V242 C243 K244	G27-Y249 VanDerWaalsContact CA-O 3.24Å; G27-Y249 WeakPolarHBondContact CA-O 3.5Å; G27-Y249 WeakPolarHBondContact O-CD2 3.5Å; G27-Y249 PolarHBondContact O-N 3Å; P29-Y249 HydrophobicContact CG-CD2 4.16Å; P29-Y249 HydrophobicContact CG-CE2 4.07Å; P33-Y249 HydrophobicContact CG-CE1 4.41Å; P33-Y249 HydrophobicContact CG-CE2 4.35Å; W55-Y249 VanDerWaalsContact CH2-CB 3.48Å; W55-Y249 AromaticContact CH2-CD2 3.9Å; W55-Y249 HydrophobicContact CH2-CD2 3.9Å; W55-Y249 AromaticContact CH2-CG 3.72Å; W55-Y249 HydrophobicContact CH2-CG 3.72Å; W55-Y249 HydrophobicContact CZ2-CD1 4.49Å; W55-Y249 HydrophobicContact CZ2-CG 4.08Å; V165-Y249 WeakPolarHBondContact CG2-O 3.18Å; C166-Y249 PolarHBondContact N-O 2.79Å; F181-Y249 AromaticContact CD2-CE1 3.83Å; F181-Y249 HydrophobicContact CD2-CE1 3.83Å; F181-Y249 AromaticContact CE2-CE1 3.91Å; F181-Y249 HydrophobicContact CE2-CE1 3.91Å; V242-Y249 HydrophobicContact CB-CD1 4.45Å; V242-Y249 HydrophobicContact CG2-CD1 4.01Å; C243-Y249 WeakPolarHBondContact O-CA 3.3Å; K244-Y249 HydrophobicContact CB-CD1 4.29Å; K244-Y249 HydrophobicContact CB-CE1 3.99Å; K244-Y249 HydrophobicContact CG-CE1 4.42Å
250	V	98.7	Very high	95	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132	-177.6	-176.4	0	0	0	0	108.8	C166 P168 V242 C243 I245 Y252	C166-V250 HydrophobicContact CB-CB 4.48Å; C166-V250 HydrophobicContact CB-CG2 4.04Å; C166-V250 WeakPolarHBondContact O-CA 3.49Å; P168-V250 HydrophobicContact CB-CG1 3.98Å; V242-V250 CarbonylContact C-O 3.56Å; V242-V250 VanDerWaalsContact CA-O 3.32Å; V242-V250 WeakPolarHBondContact CA-O 3.13Å; C243-V250 PolarHBondContact N-O 3.26Å; C243-V250 PolarHBondContact O-N 3.08Å; I245-V250 HydrophobicContact CB-CG2 4.04Å; I245-V250 HydrophobicContact CG1-CB 4.13Å; I245-V250 HydrophobicContact CG1-CG2 3.8Å; V250-Y252 HydrophobicContact CB-CD2 4.26Å; V250-Y252 HydrophobicContact CB-CE2 3.7Å; V250-Y252 HydrophobicContact CG1-CD2 4.18Å; V250-Y252 HydrophobicContact CG1-CE2 3.7Å; V250-Y252 WeakPolarHBondContact O-CD2 3.37Å; V250-Y252 PolarHBondContact O-N 3.16Å
251	Q	98.7	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	104.4	-179.2	-179.2	177.5	-5.1	0	0	111.4	S74 V165 C166 P168 A240 L241 V242 G253 V273	S74-Q251 PolarHBondContact OG-NE2 2.63Å; S74-Q251 PolarHBondContact OG-OE1 2.97Å; V165-Q251 HydrophobicContact CG1-CB 3.84Å; V165-Q251 HydrophobicContact CG2-CB 3.98Å; C166-Q251 PolarHBondContact O-N 3.24Å; P168-Q251 WeakPolarHBondContact CD-O 3.44Å; A240-Q251 VanDerWaalsContact CB-CD 3.48Å; A240-Q251 HydrophobicContact CB-CG 3.74Å; L241-Q251 WeakPolarHBondContact O-CA 2.96Å; V242-Q251 HydrophobicContact CG1-CB 4.26Å; Q251-G253 WeakPolarHBondContact CG-O 3.12Å; Q251-G253 PolarHBondContact NE2-O 3.13Å; Q251-V273 HydrophobicContact CG-CG2 4.17Å; Q251-V273 WeakPolarHBondContact O-CB 3.43Å; Q251-V273 WeakPolarHBondContact O-CG1 3.49Å
252	Y	98.6	Very high	93.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-22.1	176.6	-73.3	-89.3	0	0	0	113.4	P168 E172 L174 P175 L221 L241 C243 I245 V250 V273	P168-Y252 HydrophobicContact CB-CD1 4.1Å; P168-Y252 HydrophobicContact CB-CE1 3.78Å; P168-Y252 HydrophobicContact CG-CD1 4.39Å; E172-Y252 PolarHBondContact OE1-OH 2.95Å; L174-Y252 HydrophobicContact CD2-CD1 4.14Å; P175-Y252 HydrophobicContact CB-CE2 4.44Å; P175-Y252 HydrophobicContact CG-CD1 4.45Å; P175-Y252 HydrophobicContact CG-CD2 3.8Å; P175-Y252 HydrophobicContact CG-CE1 4.33Å; P175-Y252 HydrophobicContact CG-CE2 3.63Å; P175-Y252 HydrophobicContact CG-CG 4.19Å; L221-Y252 VanDerWaalsContact CD2-O 3.24Å; L221-Y252 WeakPolarHBondContact CD2-O 3.5Å; L241-Y252 PolarHBondContact O-N 3.48Å; C243-Y252 HydrophobicContact CB-CD2 3.76Å; C243-Y252 HydrophobicContact CB-CE2 3.95Å; I245-Y252 HydrophobicContact CD1-CE2 4.05Å; I245-Y252 HydrophobicContact CG1-CE2 3.95Å; V250-Y252 HydrophobicContact CB-CD2 4.26Å; V250-Y252 HydrophobicContact CB-CE2 3.7Å; V250-Y252 HydrophobicContact CG1-CD2 4.18Å; V250-Y252 HydrophobicContact CG1-CE2 3.7Å; V250-Y252 WeakPolarHBondContact O-CD2 3.37Å; V250-Y252 PolarHBondContact O-N 3.16Å; Y252-V273 PolarHBondContact O-N 3.09Å
253	G	98.4	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.1	-176.6	0	0	0	0	0	113.9	L241 Q251 T271	L241-G253 PolarHBondContact N-O 3.33Å; L241-G253 PolarHBondContact O-N 2.79Å; Q251-G253 WeakPolarHBondContact CG-O 3.12Å; Q251-G253 PolarHBondContact NE2-O 3.13Å; G253-T271 VanDerWaalsContact CA-O 3.28Å; G253-T271 WeakPolarHBondContact CA-O 3.36Å
254	I	98.7	Very high	92.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.1	164.8	-59.6	164	0	0	0	106.8	L90 A92 I147 S239 S256 Y270 T271 V273	L90-I254 HydrophobicContact CD1-CD1 4.21Å; L90-I254 HydrophobicContact CD2-CD1 4.04Å; L90-I254 HydrophobicContact CD2-CG1 4.45Å; L90-I254 HydrophobicContact CG-CD1 3.86Å; L90-I254 HydrophobicContact CG-CG1 4.47Å; A92-I254 HydrophobicContact CB-CG2 3.97Å; I147-I254 HydrophobicContact CB-CD1 4.21Å; I147-I254 HydrophobicContact CD1-CD1 3.86Å; I147-I254 HydrophobicContact CG1-CD1 3.65Å; S239-I254 WeakPolarHBondContact O-CA 3.49Å; I254-S256 PolarHBondContact O-N 2.83Å; I254-S256 VanDerWaalsContact O-N 3.17Å; I254-Y270 CarbonylContact O-C 3.59Å; I254-Y270 WeakPolarHBondContact O-CA 3.43Å; I254-Y270 VanDerWaalsContact O-CB 3.32Å; I254-Y270 WeakPolarHBondContact O-CB 3.31Å; I254-T271 PolarHBondContact N-O 3.23Å; I254-T271 VanDerWaalsContact N-O 3.12Å; I254-T271 PolarHBondContact O-N 2.97Å; I254-V273 HydrophobicContact CD1-CG2 4.01Å; I254-V273 HydrophobicContact CG1-CG2 3.76Å
255	V	96.6	Very high	92	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	120.4	177.8	178.5	0	0	0	0	109	V182 A232 D236 G238 S239 Y270	V182-V255 HydrophobicContact CG1-CG2 3.65Å; A232-V255 HydrophobicContact CB-CG1 3.73Å; A232-V255 HydrophobicContact CB-CG2 3.93Å; D236-V255 HydrophobicContact CB-CG1 4.45Å; D236-V255 WeakPolarHBondContact O-CB 3.48Å; G238-V255 PolarHBondContact N-O 2.85Å; S239-V255 WeakPolarHBondContact O-CG2 3.47Å; S239-V255 PolarHBondContact O-N 2.93Å; V255-Y270 HydrophobicContact CB-CD1 4.47Å; V255-Y270 HydrophobicContact CB-CE1 4.41Å; V255-Y270 HydrophobicContact CG2-CD1 4.05Å; V255-Y270 HydrophobicContact CG2-CE1 3.65Å
256	S	94.2	Very high	91.6	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-69	-171.8	-176.4	0	0	0	0	111.9	H94 D146 I254 V269	H94-S256 PolarHBondContact CE1-O 2.79Å; D146-S256 WeakPolarHBondContact CB-OG 3.45Å; D146-S256 WeakPolarHBondContact OD2-CA 3.47Å; D146-S256 WeakPolarHBondContact OD2-CB 3.21Å; D146-S256 PolarHBondContact OD2-OG 2.91Å; I254-S256 PolarHBondContact O-N 2.83Å; I254-S256 VanDerWaalsContact O-N 3.17Å; S256-V269 WeakPolarHBondContact CB-O 3.36Å; S256-V269 PolarHBondContact N-O 2.81Å
257	F	91	Very high	91.5	Very high	29 Å²	29	43.6 Å²	43.6	13%	0.127	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	171.4	-178.2	67.1	-80.1	0	0	0	113	F143 W212 N214 V269	F143-F257 HydrophobicContact CB-CD1 3.39Å; F143-F257 HydrophobicContact CB-CE1 3.51Å; F143-F257 HydrophobicContact CB-CG 4.12Å; F143-F257 HydrophobicContact CB-CZ 4.31Å; F143-F257 HydrophobicContact CD1-CB 3.83Å; F143-F257 AromaticContact CD1-CD1 3.96Å; F143-F257 HydrophobicContact CD1-CD1 3.96Å; F143-F257 HydrophobicContact CD1-CG 4.12Å; F143-F257 HydrophobicContact CD2-CB 4.44Å; F143-F257 HydrophobicContact CD2-CD1 4.33Å; F143-F257 HydrophobicContact CD2-CG 4.23Å; F143-F257 HydrophobicContact CE1-CB 3.93Å; F143-F257 HydrophobicContact CG-CB 4.1Å; F143-F257 AromaticContact CG-CD1 3.65Å; F143-F257 HydrophobicContact CG-CD1 3.65Å; F143-F257 HydrophobicContact CG-CE1 4.21Å; F143-F257 AromaticContact CG-CG 3.91Å; F143-F257 HydrophobicContact CG-CG 3.91Å; F143-F257 HydrophobicContact CZ-CB 4.31Å; W212-F257 AromaticContact CH2-CD2 3.76Å; W212-F257 HydrophobicContact CH2-CD2 3.76Å; W212-F257 AromaticContact CH2-CE2 3.44Å; W212-F257 HydrophobicContact CH2-CE2 3.44Å; W212-F257 VanDerWaalsContact CH2-CE2 3.44Å; W212-F257 AromaticContact CZ2-CD2 3.51Å; W212-F257 HydrophobicContact CZ2-CD2 3.51Å; W212-F257 AromaticContact CZ2-CE2 3.27Å; W212-F257 HydrophobicContact CZ2-CE2 3.27Å; W212-F257 HydrophobicContact CZ2-CZ 4.48Å; W212-F257 HydrophobicContact CZ3-CE2 4.44Å; N214-F257 HydrophobicContact CB-CE2 4.38Å; F257-V269 HydrophobicContact CD1-CB 4.05Å; F257-V269 HydrophobicContact CD1-CG1 4.15Å; F257-V269 HydrophobicContact CD2-CB 4.27Å; F257-V269 HydrophobicContact CD2-CG2 4.3Å; F257-V269 HydrophobicContact CE1-CB 3.83Å; F257-V269 HydrophobicContact CE1-CG1 3.47Å; F257-V269 VanDerWaalsContact CE1-CG1 3.47Å; F257-V269 HydrophobicContact CE2-CB 4.05Å; F257-V269 HydrophobicContact CE2-CG1 4.23Å; F257-V269 HydrophobicContact CE2-CG2 3.93Å; F257-V269 HydrophobicContact CG-CB 4.27Å; F257-V269 HydrophobicContact CZ-CB 3.83Å; F257-V269 HydrophobicContact CZ-CG1 3.53Å; F257-V269 HydrophobicContact CZ-CG2 4.07Å; F257-V269 PolarHBondContact N-O 3.32Å; F257-V269 WeakPolarHBondContact O-CA 3.43Å; F257-V269 WeakPolarHBondContact O-CB 3.19Å; F257-V269 PolarHBondContact O-N 3.26Å
258	G	86.5	Confident	91.4	Very high	36 Å²	36	35.8 Å²	35.8	37%	0.371	19%	0.194	S	C	.	.			trans	-168.2	177.6	179.1	0	0	0	0	0	111.9
259	H	83.3	Confident	91.3	Very high	81 Å²	81	32.9 Å²	32.9	38%	0.375	18%	0.181	S	C	.	.	S	Bend	trans	-108.5	90.7	173.9	-84.1	-59.9	0	0	0	110.3	W212 K263 Y266	W212-H259 AromaticContact CD2-CD2 3.68Å; W212-H259 AromaticContact CD2-NE2 3.99Å; W212-H259 AromaticContact CE2-CD2 3.58Å; W212-H259 AromaticContact CE3-CD2 3.61Å; W212-H259 AromaticContact CE3-NE2 3.41Å; W212-H259 AromaticContact CH2-CD2 3.36Å; W212-H259 WeakPolarHBondContact CH2-CD2 3.4Å; W212-H259 AromaticContact CH2-CE1 3.87Å; W212-H259 AromaticContact CH2-NE2 3.16Å; W212-H259 WeakPolarHBondContact CH2-NE2 3.43Å; W212-H259 AromaticContact CZ2-CD2 3.44Å; W212-H259 VanDerWaalsContact CZ2-CD2 3.44Å; W212-H259 WeakPolarHBondContact CZ2-CD2 3.2Å; W212-H259 AromaticContact CZ2-NE2 3.79Å; W212-H259 AromaticContact CZ3-CD2 3.44Å; W212-H259 VanDerWaalsContact CZ3-CD2 3.44Å; W212-H259 WeakPolarHBondContact CZ3-CD2 3.27Å; W212-H259 AromaticContact CZ3-CE1 3.9Å; W212-H259 AromaticContact CZ3-NE2 2.93Å; W212-H259 WeakPolarHBondContact CZ3-NE2 3.29Å; H259-K263 WeakPolarHBondContact O-CB 3.35Å; H259-K263 WeakPolarHBondContact O-CD 3.17Å; H259-Y266 HydrophobicContact CB-CD1 3.73Å; H259-Y266 HydrophobicContact CB-CE1 4.33Å; H259-Y266 HydrophobicContact CB-CG 3.82Å; H259-Y266 AromaticContact CD2-CD1 3.49Å; H259-Y266 VanDerWaalsContact CD2-CD1 3.49Å; H259-Y266 WeakPolarHBondContact CD2-CD1 3.46Å; H259-Y266 AromaticContact CD2-CE1 3.65Å; H259-Y266 AromaticContact CG-CD1 3.94Å
260	G	80.8	Confident	91.2	Very high	28 Å²	28	32 Å²	32	29%	0.289	18%	0.177	S	C	.	.	S	Bend	trans	68	-166.5	-165.6	0	0	0	0	0	110.7	E190	E190-G260 WeakPolarHBondContact OE2-CA 3.38Å
261	C	81.7	Confident	91.2	Very high	28 Å²	28	31.5 Å²	31.5	19%	0.189	17%	0.174	C	C	.	.	S	Bend	trans	-117.1	121.5	177.9	-54.7	0	0	0	0	110.4	E190 C233 K263	E190-C261 HydrophobicContact CB-CB 4.46Å; C233-C261 WeakPolarHBondContact CA-SG 2.98Å; C233-C261 HydrophobicContact CB-CB 3.67Å; C233-C261 WeakPolarHBondContact CB-SG 3.35Å; C233-C261 WeakPolarHBondContact SG-CB 3.38Å; C233-C261 CovalentContact SG-SG 2.02Å; C233-C261 PolarHBondContact SG-SG 3.11Å; C261-K263 PolarHBondContact O-N 2.82Å
262	G	81.6	Confident	91.1	Very high	17 Å²	17	33.8 Å²	33.8	18%	0.175	18%	0.183	C	C	.	.	S	Bend	trans	63.9	29.6	177.4	0	0	0	0	0	113.2	G228 K229 D231	G228-G262 CarbonylContact C-O 3.56Å; G228-G262 WeakPolarHBondContact CA-O 3.31Å; K229-G262 PolarHBondContact N-O 3.43Å; D231-G262 PolarHBondContact OD2-N 3.08Å
263	K	85.8	Confident	91.1	Very high	107 Å²	107	33.7 Å²	33.7	47%	0.465	18%	0.182	S	C	.	.			trans	-74.4	138.8	178.4	-170.1	177.2	-179.7	175.9	0	110.4	H259 C261 S265 Y266	H259-K263 WeakPolarHBondContact O-CB 3.35Å; H259-K263 WeakPolarHBondContact O-CD 3.17Å; C261-K263 PolarHBondContact O-N 2.82Å; K263-S265 PolarHBondContact O-N 3.19Å; K263-Y266 HydrophobicContact CB-CD2 4.33Å; K263-Y266 HydrophobicContact CD-CD2 3.71Å; K263-Y266 HydrophobicContact CD-CE2 4.17Å; K263-Y266 HydrophobicContact CG-CD2 3.88Å; K263-Y266 PolarHBondContact O-N 3.42Å; K263-Y266 VanDerWaalsContact O-N 3.15Å
264	K	89.5	Confident	91.1	Very high	153 Å²	153	33.7 Å²	33.7	67%	0.665	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	134.5	176.5	-175.5	-178.9	176.9	-175.6	0	110	M226 Y266	M226-K264 WeakPolarHBondContact O-CG 3.27Å; K264-Y266 WeakPolarHBondContact O-CD2 3Å; K264-Y266 PolarHBondContact O-N 3.36Å
265	S	89.2	Confident	91.1	Very high	64 Å²	64	36.9 Å²	36.9	45%	0.448	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	8.1	-178.5	-52.4	0	0	0	0	116.2	M226 K263	M226-S265 PolarHBondContact O-N 2.84Å; K263-S265 PolarHBondContact O-N 3.19Å
266	Y	89.1	Confident	91.2	Very high	86 Å²	86	37 Å²	37	34%	0.337	20%	0.197	S	C	.	.			trans	-127.2	83.1	177.5	-65.5	-79.7	0	0	0	109.8	W212 H259 K263 K264	W212-Y266 HydrophobicContact CG-CD1 4.31Å; H259-Y266 HydrophobicContact CB-CD1 3.73Å; H259-Y266 HydrophobicContact CB-CE1 4.33Å; H259-Y266 HydrophobicContact CB-CG 3.82Å; H259-Y266 AromaticContact CD2-CD1 3.49Å; H259-Y266 VanDerWaalsContact CD2-CD1 3.49Å; H259-Y266 WeakPolarHBondContact CD2-CD1 3.46Å; H259-Y266 AromaticContact CD2-CE1 3.65Å; H259-Y266 AromaticContact CG-CD1 3.94Å; K263-Y266 HydrophobicContact CB-CD2 4.33Å; K263-Y266 HydrophobicContact CD-CD2 3.71Å; K263-Y266 HydrophobicContact CD-CE2 4.17Å; K263-Y266 HydrophobicContact CG-CD2 3.88Å; K263-Y266 PolarHBondContact O-N 3.42Å; K263-Y266 VanDerWaalsContact O-N 3.15Å; K264-Y266 WeakPolarHBondContact O-CD2 3Å; K264-Y266 PolarHBondContact O-N 3.36Å
267	P	91.3	Very high	91.4	Very high	4 Å²	4	37 Å²	37	3%	0.026	20%	0.196	C	C	.	.			trans	-65.9	153.9	173.5	30	-35.2	0	0	0	110.9	L206 C222 M226	L206-P267 HydrophobicContact CD1-CB 3.58Å; L206-P267 HydrophobicContact CD1-CG 3.79Å; C222-P267 HydrophobicContact CB-CB 4.19Å; C222-P267 HydrophobicContact CB-CG 3.92Å; M226-P267 HydrophobicContact SD-CG 4.15Å
268	G	91.9	Very high	91.7	Very high	5 Å²	5	39.5 Å²	39.5	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.4	172.3	0	0	0	0	0	111.5	C222 A223 D231 Y270	C222-G268 VanDerWaalsContact CA-O 3.32Å; C222-G268 WeakPolarHBondContact CA-O 3.31Å; A223-G268 PolarHBondContact N-O 2.83Å; A223-G268 PolarHBondContact O-N 2.86Å; D231-G268 WeakPolarHBondContact OD1-CA 3.37Å; G268-Y270 WeakPolarHBondContact O-CD2 3.35Å; G268-Y270 VanDerWaalsContact O-CE2 3.25Å; G268-Y270 WeakPolarHBondContact O-CE2 3.23Å
269	V	94	Very high	92.2	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.1	178.8	-170.3	0	0	0	0	109.4	W212 A215 T220 S256 F257	W212-V269 HydrophobicContact CZ2-CG2 4.06Å; W212-V269 VanDerWaalsContact NE1-CG2 3.27Å; A215-V269 HydrophobicContact CB-CG1 4.32Å; T220-V269 HydrophobicContact CG2-CG1 4.2Å; S256-V269 WeakPolarHBondContact CB-O 3.36Å; S256-V269 PolarHBondContact N-O 2.81Å; F257-V269 HydrophobicContact CD1-CB 4.05Å; F257-V269 HydrophobicContact CD1-CG1 4.15Å; F257-V269 HydrophobicContact CD2-CB 4.27Å; F257-V269 HydrophobicContact CD2-CG2 4.3Å; F257-V269 HydrophobicContact CE1-CB 3.83Å; F257-V269 HydrophobicContact CE1-CG1 3.47Å; F257-V269 VanDerWaalsContact CE1-CG1 3.47Å; F257-V269 HydrophobicContact CE2-CB 4.05Å; F257-V269 HydrophobicContact CE2-CG1 4.23Å; F257-V269 HydrophobicContact CE2-CG2 3.93Å; F257-V269 HydrophobicContact CG-CB 4.27Å; F257-V269 HydrophobicContact CZ-CB 3.83Å; F257-V269 HydrophobicContact CZ-CG1 3.53Å; F257-V269 HydrophobicContact CZ-CG2 4.07Å; F257-V269 PolarHBondContact N-O 3.32Å; F257-V269 WeakPolarHBondContact O-CA 3.43Å; F257-V269 WeakPolarHBondContact O-CB 3.19Å; F257-V269 PolarHBondContact O-N 3.26Å
270	Y	96.1	Very high	93	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.2	-175	-54.9	-106.7	0	0	0	109.4	V182 T220 L221 A223 L241 I254 V255 G268 R272	V182-Y270 HydrophobicContact CG2-CE1 3.67Å; V182-Y270 WeakPolarHBondContact CG2-OH 3.33Å; T220-Y270 CarbonylContact C-O 3.44Å; T220-Y270 VanDerWaalsContact CA-O 3.22Å; T220-Y270 WeakPolarHBondContact CA-O 3.16Å; T220-Y270 WeakPolarHBondContact CB-O 3.41Å; L221-Y270 HydrophobicContact CD1-CD2 3.76Å; L221-Y270 HydrophobicContact CD1-CG 3.93Å; L221-Y270 PolarHBondContact N-O 2.86Å; L221-Y270 PolarHBondContact O-N 2.94Å; A223-Y270 HydrophobicContact CB-CD2 4.18Å; A223-Y270 HydrophobicContact CB-CE2 3.69Å; L241-Y270 HydrophobicContact CB-CD1 3.79Å; L241-Y270 HydrophobicContact CB-CE1 3.93Å; L241-Y270 HydrophobicContact CD2-CD1 4.32Å; L241-Y270 HydrophobicContact CD2-CD2 4.48Å; L241-Y270 HydrophobicContact CD2-CE1 4.5Å; L241-Y270 HydrophobicContact CD2-CG 4.33Å; I254-Y270 CarbonylContact O-C 3.59Å; I254-Y270 WeakPolarHBondContact O-CA 3.43Å; I254-Y270 VanDerWaalsContact O-CB 3.32Å; I254-Y270 WeakPolarHBondContact O-CB 3.31Å; V255-Y270 HydrophobicContact CB-CD1 4.47Å; V255-Y270 HydrophobicContact CB-CE1 4.41Å; V255-Y270 HydrophobicContact CG2-CD1 4.05Å; V255-Y270 HydrophobicContact CG2-CE1 3.65Å; G268-Y270 WeakPolarHBondContact O-CD2 3.35Å; G268-Y270 VanDerWaalsContact O-CE2 3.25Å; G268-Y270 WeakPolarHBondContact O-CE2 3.23Å; Y270-R272 PolarHBondContact O-N 2.89Å
271	T	97.8	Very high	93.8	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128	167.5	-50	0	0	0	0	109.2	D146 I147 G253 I254 V273 Y276	D146-T271 PolarHBondContact O-OG1 3.19Å; I147-T271 HydrophobicContact CB-CG2 4.28Å; G253-T271 VanDerWaalsContact CA-O 3.28Å; G253-T271 WeakPolarHBondContact CA-O 3.36Å; I254-T271 PolarHBondContact N-O 3.23Å; I254-T271 VanDerWaalsContact N-O 3.12Å; I254-T271 PolarHBondContact O-N 2.97Å; T271-V273 PolarHBondContact O-N 3.15Å; T271-Y276 HydrophobicContact CG2-CD2 3.55Å; T271-Y276 HydrophobicContact CG2-CE2 3.37Å
272	R	97.7	Very high	94.5	Very high	47 Å²	47	46 Å²	46	18%	0.177	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	100.8	-176.8	177	171.6	175.3	-165.8	-1.3	110.6	E172 L174 K219 L221 Y270 S274 H275 Y276	E172-R272 PolarHBondContact O-NH2 2.86Å; E172-R272 VanDerWaalsContact O-NH2 3.07Å; L174-R272 HydrophobicContact CD2-CG 4.04Å; K219-R272 WeakPolarHBondContact O-CB 3.37Å; K219-R272 PolarHBondContact O-N 2.85Å; L221-R272 HydrophobicContact CD2-CB 4.39Å; L221-R272 HydrophobicContact CD2-CG 4.47Å; Y270-R272 PolarHBondContact O-N 2.89Å; R272-S274 VanDerWaalsContact C-N 3.28Å; R272-S274 PolarHBondContact NE-OG 3.09Å; R272-S274 VanDerWaalsContact NE-OG 3.12Å; R272-S274 PolarHBondContact O-N 3.46Å; R272-H275 HydrophobicContact CB-CB 4.49Å; R272-H275 HydrophobicContact CG-CB 4.33Å; R272-H275 WeakPolarHBondContact O-CB 3.42Å; R272-H275 PolarHBondContact O-N 3.35Å; R272-Y276 WeakPolarHBondContact O-CD2 3.35Å
273	V	98.7	Very high	95.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-36.4	-173.7	176.3	0	0	0	0	112.7	L90 L167 P168 Q251 Y252 I254 T271 H275 Y276 V277 I280	L90-V273 HydrophobicContact CD2-CG1 4.35Å; L90-V273 HydrophobicContact CD2-CG2 4.42Å; L167-V273 HydrophobicContact CD2-CG1 3.92Å; P168-V273 HydrophobicContact CG-CB 4.29Å; P168-V273 HydrophobicContact CG-CG1 3.97Å; Q251-V273 HydrophobicContact CG-CG2 4.17Å; Q251-V273 WeakPolarHBondContact O-CB 3.43Å; Q251-V273 WeakPolarHBondContact O-CG1 3.49Å; Y252-V273 PolarHBondContact O-N 3.09Å; I254-V273 HydrophobicContact CD1-CG2 4.01Å; I254-V273 HydrophobicContact CG1-CG2 3.76Å; T271-V273 PolarHBondContact O-N 3.15Å; V273-H275 PolarHBondContact O-N 3.27Å; V273-H275 VanDerWaalsContact O-N 3.16Å; V273-Y276 CarbonylContact O-C 3.55Å; V273-Y276 PolarHBondContact O-N 3.04Å; V273-V277 PolarHBondContact O-N 3.47Å; V273-I280 HydrophobicContact CG1-CD1 4.04Å
274	S	98.2	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-26.1	178.6	65.4	0	0	0	0	113.6	G171 E172 R272	G171-S274 PolarHBondContact N-O 2.96Å; E172-S274 WeakPolarHBondContact O-CB 3.45Å; E172-S274 PolarHBondContact O-OG 2.81Å; R272-S274 VanDerWaalsContact C-N 3.28Å; R272-S274 PolarHBondContact NE-OG 3.09Å; R272-S274 VanDerWaalsContact NE-OG 3.12Å; R272-S274 PolarHBondContact O-N 3.46Å
275	H	98	Very high	96.2	Very high	68 Å²	68	38.2 Å²	38.2	32%	0.315	18%	0.176	S	C	.	.	H	α-helix	trans	-74.3	-28.8	172.6	-178.1	89.5	0	0	0	112.6	E218 R272 V273	E218-H275 VanDerWaalsContact O-CB 3.28Å; E218-H275 WeakPolarHBondContact O-CB 3.19Å; E218-H275 PolarHBondContact O-ND1 2.89Å; R272-H275 HydrophobicContact CB-CB 4.49Å; R272-H275 HydrophobicContact CG-CB 4.33Å; R272-H275 WeakPolarHBondContact O-CB 3.42Å; R272-H275 PolarHBondContact O-N 3.35Å; V273-H275 PolarHBondContact O-N 3.27Å; V273-H275 VanDerWaalsContact O-N 3.16Å
276	Y	98.6	Very high	96.5	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-102.2	9.5	-172.6	-70.1	-81.6	0	0	0	114.3	N145 I147 K219 T271 R272 V273 Q278 F279 I280	N145-Y276 VanDerWaalsContact CA-OH 3.29Å; N145-Y276 WeakPolarHBondContact CA-OH 3.43Å; N145-Y276 HydrophobicContact CB-CE1 4.29Å; N145-Y276 PolarHBondContact N-OH 2.97Å; N145-Y276 WeakPolarHBondContact OD1-CE1 3.37Å; N145-Y276 PolarHBondContact OD1-OH 2.9Å; I147-Y276 VanDerWaalsContact CD1-CB 3.5Å; I147-Y276 HydrophobicContact CD1-CG 3.98Å; I147-Y276 HydrophobicContact CG2-CD1 3.83Å; I147-Y276 HydrophobicContact CG2-CE1 4.1Å; I147-Y276 HydrophobicContact CG2-CG 4.16Å; K219-Y276 HydrophobicContact CB-CE2 4.17Å; K219-Y276 WeakPolarHBondContact CB-OH 3.5Å; K219-Y276 WeakPolarHBondContact CG-OH 3.47Å; T271-Y276 HydrophobicContact CG2-CD2 3.55Å; T271-Y276 HydrophobicContact CG2-CE2 3.37Å; R272-Y276 WeakPolarHBondContact O-CD2 3.35Å; V273-Y276 CarbonylContact O-C 3.55Å; V273-Y276 PolarHBondContact O-N 3.04Å; Y276-Q278 PolarHBondContact O-N 3.16Å; Y276-F279 HydrophobicContact CD1-CB 4.13Å; Y276-F279 HydrophobicContact CD1-CG 4.5Å; Y276-F279 WeakPolarHBondContact O-CA 3.05Å; Y276-F279 WeakPolarHBondContact O-CB 3.11Å; Y276-F279 PolarHBondContact O-N 3.28Å; Y276-I280 WeakPolarHBondContact O-CG1 3.26Å; Y276-I280 PolarHBondContact O-N 2.87Å
277	V	98.3	Very high	96.9	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	16%	0.159	C	C	.	.	H	α-helix	trans	-55.5	-40.6	178.4	174.9	0	0	0	0	111.9	P168 N170 V273 I280 R281	P168-V277 HydrophobicContact CG-CG2 4.46Å; P168-V277 WeakPolarHBondContact O-CG2 3.04Å; N170-V277 HydrophobicContact CB-CB 4.03Å; N170-V277 HydrophobicContact CB-CG1 4.1Å; V273-V277 PolarHBondContact O-N 3.47Å; V277-I280 PolarHBondContact O-N 2.95Å; V277-R281 WeakPolarHBondContact O-CG 3.22Å; V277-R281 PolarHBondContact O-N 2.84Å
278	Q	97.3	Very high	96.8	Very high	82 Å²	82	39.2 Å²	39.2	38%	0.383	18%	0.177	S	C	.	.	H	α-helix	trans	-66.8	-36.3	175.7	-66.7	-62.3	-17.2	0	0	112.9	N170 Y276 K282	N170-Q278 WeakPolarHBondContact OD1-CG 3.39Å; Y276-Q278 PolarHBondContact O-N 3.16Å; Q278-K282 WeakPolarHBondContact O-CB 3.39Å; Q278-K282 VanDerWaalsContact O-CG 3.32Å; Q278-K282 WeakPolarHBondContact O-CG 3.42Å; Q278-K282 PolarHBondContact O-N 2.81Å; Q278-K282 VanDerWaalsContact O-N 3.08Å
279	F	98.4	Very high	96.7	Very high	43 Å²	43	45.5 Å²	45.5	19%	0.189	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-47.6	172	164.2	-92.3	0	0	0	110.4	Q134 A135 G136 I147 Y276 R281 K282 A283	Q134-F279 HydrophobicContact CG-CE2 4.33Å; Q134-F279 HydrophobicContact CG-CZ 4.41Å; A135-F279 VanDerWaalsContact C-CZ 3.49Å; G136-F279 VanDerWaalsContact N-CZ 3.33Å; I147-F279 HydrophobicContact CB-CE1 4.41Å; I147-F279 HydrophobicContact CD1-CD1 3.88Å; I147-F279 HydrophobicContact CD1-CE1 4.16Å; I147-F279 HydrophobicContact CG1-CD1 4.16Å; I147-F279 HydrophobicContact CG1-CE1 3.92Å; I147-F279 HydrophobicContact CG2-CD1 3.9Å; I147-F279 HydrophobicContact CG2-CE1 3.81Å; I147-F279 HydrophobicContact CG2-CZ 4.35Å; Y276-F279 HydrophobicContact CD1-CB 4.13Å; Y276-F279 HydrophobicContact CD1-CG 4.5Å; Y276-F279 WeakPolarHBondContact O-CA 3.05Å; Y276-F279 WeakPolarHBondContact O-CB 3.11Å; Y276-F279 PolarHBondContact O-N 3.28Å; F279-R281 PolarHBondContact O-N 2.63Å; F279-K282 PolarHBondContact O-N 2.94Å; F279-A283 HydrophobicContact CE1-CB 4.31Å; F279-A283 HydrophobicContact CE2-CB 4.47Å; F279-A283 HydrophobicContact CZ-CB 4.18Å; F279-A283 WeakPolarHBondContact O-CB 3.39Å; F279-A283 PolarHBondContact O-N 2.88Å
280	I	98.7	Very high	95.7	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-47.7	-179.3	-64.6	167.6	0	0	0	110.6	I76 L90 I147 L149 L167 V273 Y276 V277 K282 A283 E284	I76-I280 HydrophobicContact CD1-CG2 3.75Å; L90-I280 HydrophobicContact CD1-CD1 4.07Å; L90-I280 HydrophobicContact CD1-CG1 4.07Å; L90-I280 HydrophobicContact CD2-CD1 3.91Å; I147-I280 HydrophobicContact CD1-CD1 4.27Å; I147-I280 HydrophobicContact CD1-CG1 4.09Å; L149-I280 HydrophobicContact CD2-CG2 4.35Å; L167-I280 HydrophobicContact CD1-CD1 4.04Å; L167-I280 HydrophobicContact CD1-CG2 3.97Å; L167-I280 HydrophobicContact CD2-CD1 4.36Å; V273-I280 HydrophobicContact CG1-CD1 4.04Å; Y276-I280 WeakPolarHBondContact O-CG1 3.26Å; Y276-I280 PolarHBondContact O-N 2.87Å; V277-I280 PolarHBondContact O-N 2.95Å; I280-K282 PolarHBondContact O-N 2.79Å; I280-A283 PolarHBondContact O-N 3.42Å; I280-E284 WeakPolarHBondContact O-CB 3.48Å; I280-E284 PolarHBondContact O-N 3.03Å
281	R	97.2	Very high	95.7	Very high	124 Å²	124	55.3 Å²	55.3	47%	0.468	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-44.4	178.5	-69.4	175.6	-178.9	179.5	0.1	112.7	V277 F279 E284 M285	V277-R281 WeakPolarHBondContact O-CG 3.22Å; V277-R281 PolarHBondContact O-N 2.84Å; F279-R281 PolarHBondContact O-N 2.63Å; R281-E284 PolarHBondContact O-N 2.8Å; R281-M285 WeakPolarHBondContact O-CG 3.36Å; R281-M285 PolarHBondContact O-N 3.03Å; R281-M285 VanDerWaalsContact O-N 3.13Å
282	K	97.4	Very high	95.6	Very high	139 Å²	139	58.1 Å²	58.1	60%	0.604	27%	0.268	S	S	*	.	H	α-helix	trans	-66.7	-40.4	177.3	-71.7	178.8	-177.7	-177.6	0	111.9	Q278 F279 I280 M285 K286	Q278-K282 WeakPolarHBondContact O-CB 3.39Å; Q278-K282 VanDerWaalsContact O-CG 3.32Å; Q278-K282 WeakPolarHBondContact O-CG 3.42Å; Q278-K282 PolarHBondContact O-N 2.81Å; Q278-K282 VanDerWaalsContact O-N 3.08Å; F279-K282 PolarHBondContact O-N 2.94Å; I280-K282 PolarHBondContact O-N 2.79Å; K282-M285 HydrophobicContact CG-CE 4.18Å; K282-M285 PolarHBondContact O-N 3.2Å; K282-K286 PolarHBondContact O-N 3.18Å
283	A	98.3	Very high	95.5	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-46.4	175.7	0	0	0	0	0	110.7	Q134 L149 F279 I280 M285 K286 L287	Q134-A283 HydrophobicContact CB-CB 3.94Å; Q134-A283 HydrophobicContact CG-CB 3.84Å; L149-A283 HydrophobicContact CB-CB 4.06Å; L149-A283 HydrophobicContact CD2-CB 3.85Å; F279-A283 HydrophobicContact CE1-CB 4.31Å; F279-A283 HydrophobicContact CE2-CB 4.47Å; F279-A283 HydrophobicContact CZ-CB 4.18Å; F279-A283 WeakPolarHBondContact O-CB 3.39Å; F279-A283 PolarHBondContact O-N 2.88Å; I280-A283 PolarHBondContact O-N 3.42Å; A283-M285 PolarHBondContact O-N 2.76Å; A283-K286 PolarHBondContact O-N 2.8Å; A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 WeakPolarHBondContact O-CG 3.45Å; A283-L287 PolarHBondContact O-N 3.16Å
284	E	97.3	Very high	95.3	Very high	7 Å²	7	62.2 Å²	62.2	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-50.8	176.4	-175.5	-176.7	-174.3	0	0	111.2	P78 S79 L88 L149 I280 R281 K286 L287 L288	P78-E284 WeakPolarHBondContact CA-OE1 3.31Å; P78-E284 WeakPolarHBondContact CB-OE1 2.82Å; S79-E284 WeakPolarHBondContact CB-OE2 3.25Å; S79-E284 PolarHBondContact N-OE1 3.33Å; S79-E284 PolarHBondContact N-OE2 3.42Å; S79-E284 PolarHBondContact OG-OE1 3.49Å; S79-E284 VanDerWaalsContact OG-OE1 3.11Å; S79-E284 PolarHBondContact OG-OE2 3.24Å; L88-E284 HydrophobicContact CD1-CG 3.79Å; L88-E284 WeakPolarHBondContact CD1-OE1 3.21Å; L88-E284 HydrophobicContact CD2-CG 4.46Å; L149-E284 HydrophobicContact CD2-CB 3.99Å; I280-E284 WeakPolarHBondContact O-CB 3.48Å; I280-E284 PolarHBondContact O-N 3.03Å; R281-E284 PolarHBondContact O-N 2.8Å; E284-K286 VanDerWaalsContact C-N 3.33Å; E284-K286 PolarHBondContact O-N 2.6Å; E284-L287 CarbonylContact O-C 3.56Å; E284-L287 PolarHBondContact O-N 3.32Å; E284-L288 HydrophobicContact CG-CD1 4.03Å; E284-L288 WeakPolarHBondContact O-CG 3.41Å; E284-L288 PolarHBondContact O-N 2.87Å
285	M	96.1	Very high	95.1	Very high	103 Å²	103	66.1 Å²	66.1	51%	0.507	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-45.2	178	-70.5	-173.9	-67.7	0	0	112.2	R281 K282 A283 L288 N289	R281-M285 WeakPolarHBondContact O-CG 3.36Å; R281-M285 PolarHBondContact O-N 3.03Å; R281-M285 VanDerWaalsContact O-N 3.13Å; K282-M285 HydrophobicContact CG-CE 4.18Å; K282-M285 PolarHBondContact O-N 3.2Å; A283-M285 PolarHBondContact O-N 2.76Å; M285-L288 PolarHBondContact O-N 3.11Å; M285-L288 VanDerWaalsContact O-N 3.15Å; M285-N289 VanDerWaalsContact O-CG 3.25Å; M285-N289 PolarHBondContact O-N 2.99Å; M285-N289 PolarHBondContact O-ND2 3.24Å; M285-N289 VanDerWaalsContact O-ND2 3.09Å
286	K	97	Very high	94.9	Very high	96 Å²	96	65.9 Å²	65.9	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-44.1	177.9	-174.4	176.9	172.6	-168.8	0	111.7	Q134 K282 A283 E284 L288 N289 E290	Q134-K286 VanDerWaalsContact OE1-CD 3.32Å; K282-K286 PolarHBondContact O-N 3.18Å; A283-K286 PolarHBondContact O-N 2.8Å; E284-K286 VanDerWaalsContact C-N 3.33Å; E284-K286 PolarHBondContact O-N 2.6Å; K286-L288 PolarHBondContact O-N 2.85Å; K286-N289 PolarHBondContact O-N 3.03Å; K286-E290 WeakPolarHBondContact CE-OE1 3.46Å; K286-E290 IonicContact NZ-OE1 3.93Å; K286-E290 PolarHBondContact O-N 3.13Å
287	L	96.5	Very high	94.6	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-68.3	-11.2	175.9	-65.3	169.8	0	0	0	113	R132 Q134 L149 L151 A283 E284	R132-L287 HydrophobicContact CB-CD2 4.12Å; R132-L287 HydrophobicContact CG-CD2 3.68Å; R132-L287 VanDerWaalsContact CZ-C 3.48Å; R132-L287 PolarHBondContact NE-O 2.98Å; R132-L287 PolarHBondContact NH1-O 3.05Å; R132-L287 PolarHBondContact NH2-O 3.47Å; Q134-L287 HydrophobicContact CB-CD1 4.26Å; Q134-L287 HydrophobicContact CB-CD2 4.13Å; Q134-L287 HydrophobicContact CB-CG 4.14Å; L149-L287 HydrophobicContact CB-CD1 4.12Å; L149-L287 HydrophobicContact CD2-CD1 3.94Å; L149-L287 HydrophobicContact CG-CD1 3.88Å; L149-L287 WeakPolarHBondContact O-CD1 2.89Å; L151-L287 HydrophobicContact CB-CB 4.25Å; L151-L287 HydrophobicContact CB-CD1 4.38Å; L151-L287 VanDerWaalsContact CD2-O 3.3Å; L151-L287 WeakPolarHBondContact CD2-O 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 WeakPolarHBondContact O-CG 3.45Å; A283-L287 PolarHBondContact O-N 3.16Å; E284-L287 CarbonylContact O-C 3.56Å; E284-L287 PolarHBondContact O-N 3.32Å
288	L	90.3	Very high	94.4	Very high	78 Å²	78	74.8 Å²	74.8	41%	0.408	35%	0.347	S	S	.	.	H	α-helix	trans	-96.5	-21.9	173.6	-68.3	174.7	0	0	0	112.4	L151 E284 M285 K286	L151-L288 HydrophobicContact CD1-CD2 4.33Å; E284-L288 HydrophobicContact CG-CD1 4.03Å; E284-L288 WeakPolarHBondContact O-CG 3.41Å; E284-L288 PolarHBondContact O-N 2.87Å; M285-L288 PolarHBondContact O-N 3.11Å; M285-L288 VanDerWaalsContact O-N 3.15Å; K286-L288 PolarHBondContact O-N 2.85Å
289	N	87.9	Confident	94.1	Very high	136 Å²	136	74.2 Å²	74.2	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-98.5	-13.9	-170.9	-67.6	-26.8	0	0	0	115.9	M285 K286	M285-N289 VanDerWaalsContact O-CG 3.25Å; M285-N289 PolarHBondContact O-N 2.99Å; M285-N289 PolarHBondContact O-ND2 3.24Å; M285-N289 VanDerWaalsContact O-ND2 3.09Å; K286-N289 PolarHBondContact O-N 3.03Å
290	E	74.3	Confident	93.7	Very high	155 Å²	155	77 Å²	77	72%	0.724	36%	0.359	S	S	*	.			trans	-87.8	0	171.2	-44.1	165.9	159.2	0	0	112.7	R132 K286	R132-E290 VanDerWaalsContact NH1-N 3.14Å; R132-E290 PolarHBondContact NH1-OXT 3.15Å; R132-E290 PolarHBondContact NH2-OXT 3.25Å; K286-E290 WeakPolarHBondContact CE-OE1 3.46Å; K286-E290 IonicContact NZ-OE1 3.93Å; K286-E290 PolarHBondContact O-N 3.13Å

Retrieved 290 of 290 residues in 563.6 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).