A0A061IIT5_CRIGR Loading...

Metalloproteinase inhibitor 3

AlphaFold DB , UniProt , Accession A0A061IIT5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	47.6	Very low	245 Å²	245	153.9 Å²	153.9	100%	1.207	85%	0.847	S	S	*	*				0	89.2	0	-71.5	166.1	70.8	0	0	107.5
2	T	37.3	Very low	47.8	Very low	130 Å²	130	145.8 Å²	145.8	80%	0.798	82%	0.824	S	S	*	*			trans	-92.8	119	-175.9	36.7	0	0	0	0	109.3
3	S	40.7	Very low	48	Very low	118 Å²	118	144 Å²	144	83%	0.825	83%	0.825	S	S	*	*			trans	-75.1	120.4	-178.9	-162.4	0	0	0	0	110
4	W	44.6	Very low	48.1	Very low	244 Å²	244	150.1 Å²	150.1	92%	0.924	83%	0.828	S	S	*	*			trans	-79.9	112.6	174.2	-88.4	44.2	0	0	0	109.6	G6	W4-G6 PolarHBondContact O-N 3.16Å
5	L	44.9	Very low	48.1	Very low	173 Å²	173	147.6 Å²	147.6	91%	0.906	83%	0.825	S	S	*	*			trans	-81.1	102	165.7	-77.5	161.8	0	0	0	108.5	L7	L5-L7 PolarHBondContact O-N 2.79Å
6	G	50.8	Low	48.1	Very low	72 Å²	72	147.6 Å²	147.6	74%	0.742	82%	0.822	S	S	*	*			trans	-74	111.9	171.5	0	0	0	0	0	110.6	W4	W4-G6 PolarHBondContact O-N 3.16Å
7	L	47.4	Very low	48	Very low	158 Å²	158	142.4 Å²	142.4	83%	0.827	81%	0.809	S	S	*	*			trans	-92.3	100.1	176.1	-149.6	137.2	0	0	0	108.3	L5 V9	L5-L7 PolarHBondContact O-N 2.79Å; L7-V9 HydrophobicContact CD2-CG2 3.81Å; L7-V9 PolarHBondContact O-N 3.11Å
8	V	54.4	Low	47.9	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	81%	0.809	S	S	*	*			trans	-78.5	104	175.5	177.8	0	0	0	0	108.4	L10	V8-L10 HydrophobicContact CG1-CG 4.43Å; V8-L10 PolarHBondContact O-N 2.84Å
9	V	53.7	Low	47.7	Very low	107 Å²	107	148.6 Å²	148.6	65%	0.648	81%	0.812	S	S	*	*			trans	-82.9	101.7	170.9	178.9	0	0	0	0	108.3	L7 L11	L7-V9 HydrophobicContact CD2-CG2 3.81Å; L7-V9 PolarHBondContact O-N 3.11Å; V9-L11 HydrophobicContact CG1-CG 4.46Å; V9-L11 PolarHBondContact O-N 3.32Å; V9-L11 VanDerWaalsContact O-N 3.15Å
10	L	53.6	Low	47.6	Very low	159 Å²	159	143.7 Å²	143.7	83%	0.832	80%	0.798	S	S	*	*			trans	-73.1	97.1	167.7	-78.6	162.1	0	0	0	108.9	V8 G12	V8-L10 HydrophobicContact CG1-CG 4.43Å; V8-L10 PolarHBondContact O-N 2.84Å; L10-G12 VanDerWaalsContact C-N 3.3Å; L10-G12 PolarHBondContact O-N 3Å
11	L	56.2	Low	47.8	Very low	162 Å²	162	141 Å²	141	85%	0.848	79%	0.793	S	S	*	*			trans	-69.7	90.8	163.8	-81.6	162.4	0	0	0	108.4	V9 C13	V9-L11 HydrophobicContact CG1-CG 4.46Å; V9-L11 PolarHBondContact O-N 3.32Å; V9-L11 VanDerWaalsContact O-N 3.15Å; L11-C13 PolarHBondContact O-N 2.82Å
12	G	50.9	Low	48.8	Very low	56 Å²	56	136.9 Å²	136.9	58%	0.577	77%	0.771	S	S	*	*			trans	-61.1	104.6	167.1	0	0	0	0	0	109.1	L10 W14	L10-G12 VanDerWaalsContact C-N 3.3Å; L10-G12 PolarHBondContact O-N 3Å; G12-W14 PolarHBondContact O-N 3.23Å
13	C	50.5	Low	51.1	Low	123 Å²	123	133.8 Å²	133.8	83%	0.831	76%	0.759	S	S	*	*			trans	-68.1	85.5	169.2	-159	0	0	0	0	107.1	L11 S15	L11-C13 PolarHBondContact O-N 2.82Å; C13-S15 VanDerWaalsContact C-N 3.29Å; C13-S15 PolarHBondContact O-N 2.89Å
14	W	49	Very low	53.5	Low	230 Å²	230	129.2 Å²	129.2	87%	0.871	73%	0.727	S	S	*	*			trans	-62.1	104.8	163.8	-73.8	17.3	0	0	0	104.9	G12 L16	G12-W14 PolarHBondContact O-N 3.23Å; W14-L16 VanDerWaalsContact C-N 3.27Å; W14-L16 PolarHBondContact O-N 2.94Å
15	S	48.1	Very low	55.7	Low	112 Å²	112	123.8 Å²	123.8	78%	0.783	72%	0.721	S	S	*	*			trans	-52.3	102	164.8	18.7	0	0	0	0	105.7	C13 G17	C13-S15 VanDerWaalsContact C-N 3.29Å; C13-S15 PolarHBondContact O-N 2.89Å; S15-G17 PolarHBondContact O-N 2.83Å
16	L	48.1	Very low	57.9	Low	148 Å²	148	117.9 Å²	117.9	78%	0.775	69%	0.693	S	S	*	*			trans	-63.8	78.8	165.7	-75.4	165.8	0	0	0	106	W14 H18	W14-L16 VanDerWaalsContact C-N 3.27Å; W14-L16 PolarHBondContact O-N 2.94Å; L16-H18 PolarHBondContact O-N 2.69Å
17	G	47	Very low	59.7	Low	58 Å²	58	118.9 Å²	118.9	60%	0.598	69%	0.689	S	S	*	*			trans	-58.5	104.5	172.8	0	0	0	0	0	107.7	S15 W19	S15-G17 PolarHBondContact O-N 2.83Å; G17-W19 PolarHBondContact O-N 3.39Å
18	H	45.1	Very low	61.7	Low	176 Å²	176	113.7 Å²	113.7	82%	0.815	67%	0.665	S	S	*	*			trans	49.4	65	147.8	-149.4	70.7	0	0	0	116.1	L16 G20	L16-H18 PolarHBondContact O-N 2.69Å; H18-G20 PolarHBondContact O-N 3.05Å; H18-G20 VanDerWaalsContact O-N 3.12Å
19	W	44	Very low	63.5	Low	227 Å²	227	110.4 Å²	110.4	86%	0.86	65%	0.648	S	S	*	*			trans	-77.4	84.1	152	-65.3	77.7	0	0	0	107.2	G17 A21	G17-W19 PolarHBondContact O-N 3.39Å; W19-A21 PolarHBondContact O-N 2.82Å; W19-A21 VanDerWaalsContact O-N 3.11Å
20	G	45.4	Very low	65.5	Low	51 Å²	51	105.3 Å²	105.3	53%	0.526	62%	0.617	S	S	.	*			trans	-63.6	109.3	168.2	0	0	0	0	0	108.5	H18 E22	H18-G20 PolarHBondContact O-N 3.05Å; H18-G20 VanDerWaalsContact O-N 3.12Å; G20-E22 PolarHBondContact O-N 2.98Å
21	A	52.6	Low	67.6	Low	86 Å²	86	98 Å²	98	71%	0.711	58%	0.579	S	S	*	*			trans	-69.2	108.5	166.8	0	0	0	0	0	107.9	W19 A23	W19-A21 PolarHBondContact O-N 2.82Å; W19-A21 VanDerWaalsContact O-N 3.11Å; A21-A23 VanDerWaalsContact C-N 3.31Å; A21-A23 PolarHBondContact O-N 3.02Å
22	E	61.4	Low	69.6	Low	159 Å²	159	90.3 Å²	90.3	74%	0.743	54%	0.538	S	S	*	.			trans	-65.2	92.4	166.1	-72.6	-67.1	162.9	0	0	108.1	G20	G20-E22 PolarHBondContact O-N 2.98Å
23	A	84.3	Confident	71.8	Confident	66 Å²	66	89.1 Å²	89.1	55%	0.545	52%	0.519	S	S	.	.			trans	-88.7	-21	-174.2	0	0	0	0	0	113.3	A21 T25	A21-A23 VanDerWaalsContact C-N 3.31Å; A21-A23 PolarHBondContact O-N 3.02Å; A23-T25 PolarHBondContact O-N 3.13Å
24	C	91.1	Very high	74	Confident	22 Å²	22	83.7 Å²	83.7	15%	0.149	48%	0.483	C	S	.	.			trans	-85	115	178.8	177.8	0	0	0	0	110.7	E88 C91	C24-E88 WeakPolarHBondContact CB-O 3.48Å; C24-C91 HydrophobicContact CB-CB 4.03Å; C24-C91 WeakPolarHBondContact CB-SG 3.46Å; C24-C91 WeakPolarHBondContact SG-CA 3.44Å; C24-C91 WeakPolarHBondContact SG-CB 3.2Å; C24-C91 CovalentContact SG-SG 2.03Å; C24-C91 PolarHBondContact SG-SG 2.87Å
25	T	91.2	Very high	76.4	Confident	130 Å²	130	72.8 Å²	72.8	80%	0.798	44%	0.442	S	S	*	.			trans	-116.6	128.1	172.1	-58.1	0	0	0	0	110	A23	A23-T25 PolarHBondContact O-N 3.13Å
26	C	90.4	Very high	78.8	Confident	48 Å²	48	68.3 Å²	68.3	32%	0.324	41%	0.41	S	S	.	.			trans	-109.2	142.3	-179.1	-56.1	0	0	0	0	111.5	C118	C26-C118 VanDerWaalsContact CA-SG 3.54Å; C26-C118 HydrophobicContact CB-CB 3.6Å; C26-C118 WeakPolarHBondContact CB-SG 3.43Å; C26-C118 WeakPolarHBondContact SG-CA 3.42Å; C26-C118 WeakPolarHBondContact SG-CB 3.37Å; C26-C118 PolarHBondContact SG-N 3.14Å; C26-C118 VanDerWaalsContact SG-N 3.41Å; C26-C118 CovalentContact SG-SG 2.04Å; C26-C118 PolarHBondContact SG-SG 3.25Å
27	S	89.2	Confident	81.1	Confident	93 Å²	93	66.1 Å²	66.1	65%	0.65	40%	0.399	S	S	*	.			trans	-75.5	129.9	168.7	-171.1	0	0	0	0	109.6	S29	S27-S29 PolarHBondContact O-N 3.21Å
28	P	89.2	Confident	83.5	Confident	49 Å²	49	63.6 Å²	63.6	32%	0.318	37%	0.373	S	S	.	.			trans	-59.6	135	177	-25.4	35.4	0	0	0	112	W165 M168	P28-W165 HydrophobicContact CB-CH2 4.22Å; P28-M168 HydrophobicContact CB-CE 3.23Å; P28-M168 HydrophobicContact CB-SD 3.66Å; P28-M168 HydrophobicContact CG-CE 4.02Å; P28-M168 HydrophobicContact CG-SD 3.86Å
29	S	92.6	Very high	86.1	Confident	57 Å²	57	57.4 Å²	57.4	40%	0.399	35%	0.346	S	S	.	.			trans	-130.7	133.3	180	-173.5	0	0	0	0	110.5	S27 D33 A34	S27-S29 PolarHBondContact O-N 3.21Å; S29-D33 WeakPolarHBondContact OG-CB 3.32Å; S29-A34 PolarHBondContact OG-N 3.06Å
30	H	95.6	Very high	88.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	31%	0.305	C	S	.	.			trans	-64.4	142.8	173.2	-177.4	-88.8	0	0	0	109.3	Q32 D33 A34 I147 W165 W194	H30-Q32 VanDerWaalsContact ND1-CB 3.25Å; H30-Q32 WeakPolarHBondContact ND1-CB 3.44Å; H30-Q32 PolarHBondContact ND1-N 2.98Å; H30-Q32 PolarHBondContact O-N 2.88Å; H30-D33 PolarHBondContact O-N 3.43Å; H30-A34 PolarHBondContact O-N 3.29Å; H30-I147 HydrophobicContact CB-CD1 3.95Å; H30-I147 HydrophobicContact CB-CG2 4.18Å; H30-I147 VanDerWaalsContact ND1-CD1 3.32Å; H30-I147 WeakPolarHBondContact ND1-CD1 3.35Å; H30-W165 HydrophobicContact CB-CD2 4.26Å; H30-W165 HydrophobicContact CB-CE3 4.28Å; H30-W165 HydrophobicContact CB-CH2 4.12Å; H30-W165 HydrophobicContact CB-CZ2 4.13Å; H30-W165 HydrophobicContact CB-CZ3 4.22Å; H30-W165 AromaticContact CD2-NE1 3.98Å; H30-W194 AromaticContact CD2-CH2 3.81Å; H30-W194 AromaticContact CE1-CZ3 3.87Å; H30-W194 AromaticContact NE2-CH2 3.69Å; H30-W194 AromaticContact NE2-CZ3 3.65Å
31	P	97	Very high	91.2	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.032	28%	0.28	C	S	.	.	H	α-helix	trans	-51.9	-32.6	-179.1	-35	40.3	0	0	0	115.3	F35 F120 Y139	P31-F35 WeakPolarHBondContact O-CB 3.11Å; P31-F35 PolarHBondContact O-N 3.15Å; P31-F120 HydrophobicContact CB-CD1 4.1Å; P31-F120 HydrophobicContact CB-CE1 3.61Å; P31-F120 HydrophobicContact CB-CZ 3.86Å; P31-F120 HydrophobicContact CG-CE1 4.23Å; P31-F120 HydrophobicContact CG-CE2 4.27Å; P31-F120 HydrophobicContact CG-CZ 3.96Å; P31-Y139 HydrophobicContact CB-CE2 4.26Å
32	Q	97.9	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-43.7	173.3	-176.2	172.1	-41.7	0	0	113.1	H30 A34 F35 C36 Y139 G142 I147 C184	H30-Q32 VanDerWaalsContact ND1-CB 3.25Å; H30-Q32 WeakPolarHBondContact ND1-CB 3.44Å; H30-Q32 PolarHBondContact ND1-N 2.98Å; H30-Q32 PolarHBondContact O-N 2.88Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; Q32-F35 WeakPolarHBondContact O-CB 3.15Å; Q32-F35 PolarHBondContact O-N 2.91Å; Q32-C36 WeakPolarHBondContact O-CB 3.29Å; Q32-C36 PolarHBondContact O-N 2.86Å; Q32-C36 PolarHBondContact O-SG 2.83Å; Q32-Y139 HydrophobicContact CB-CD1 3.45Å; Q32-Y139 VanDerWaalsContact CB-CD1 3.45Å; Q32-Y139 HydrophobicContact CB-CE1 3.77Å; Q32-Y139 HydrophobicContact CB-CG 4.07Å; Q32-Y139 HydrophobicContact CG-CD1 3.66Å; Q32-Y139 HydrophobicContact CG-CE1 4.44Å; Q32-Y139 HydrophobicContact CG-CG 4.14Å; Q32-G142 VanDerWaalsContact NE2-C 3.29Å; Q32-G142 VanDerWaalsContact NE2-CA 3.35Å; Q32-G142 PolarHBondContact NE2-O 3.47Å; Q32-I147 HydrophobicContact CB-CD1 3.8Å; Q32-I147 HydrophobicContact CG-CD1 4.19Å; Q32-C184 PolarHBondContact NE2-O 3.13Å; Q32-C184 PolarHBondContact OE1-O 2.8Å
33	D	97.7	Very high	95.2	Very high	31 Å²	31	35.4 Å²	35.4	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-42.3	177.2	-72.8	-19.3	0	0	0	110	S29 H30 F35 C36 N37 I147	S29-D33 WeakPolarHBondContact OG-CB 3.32Å; H30-D33 PolarHBondContact O-N 3.43Å; D33-F35 VanDerWaalsContact C-N 3.26Å; D33-F35 PolarHBondContact O-N 2.95Å; D33-C36 PolarHBondContact O-N 2.95Å; D33-C36 VanDerWaalsContact O-N 3.14Å; D33-N37 VanDerWaalsContact O-CB 3.23Å; D33-N37 WeakPolarHBondContact O-CB 3.5Å; D33-N37 VanDerWaalsContact O-CG 3.28Å; D33-N37 PolarHBondContact O-N 2.82Å; D33-N37 PolarHBondContact O-ND2 2.85Å; D33-I147 WeakPolarHBondContact OD2-CB 3.5Å
34	A	97.6	Very high	95.8	Very high	10 Å²	10	32.3 Å²	32.3	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-37.8	174.5	0	0	0	0	0	112	S29 H30 Q32 S38 F120	S29-A34 PolarHBondContact OG-N 3.06Å; H30-A34 PolarHBondContact O-N 3.29Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; A34-S38 VanDerWaalsContact O-CB 3.29Å; A34-S38 WeakPolarHBondContact O-CB 3.26Å; A34-S38 PolarHBondContact O-N 2.8Å; A34-S38 PolarHBondContact O-OG 3.09Å; A34-F120 HydrophobicContact CB-CB 3.36Å; A34-F120 HydrophobicContact CB-CD1 4.41Å; A34-F120 HydrophobicContact CB-CG 4.21Å
35	F	98.4	Very high	96.2	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-46.7	172.2	177.3	-84.4	0	0	0	112.3	P31 Q32 D33 V41 R71 L135 Y139 H140	P31-F35 WeakPolarHBondContact O-CB 3.11Å; P31-F35 PolarHBondContact O-N 3.15Å; Q32-F35 WeakPolarHBondContact O-CB 3.15Å; Q32-F35 PolarHBondContact O-N 2.91Å; D33-F35 VanDerWaalsContact C-N 3.26Å; D33-F35 PolarHBondContact O-N 2.95Å; F35-V41 HydrophobicContact CD2-CB 4.18Å; F35-V41 HydrophobicContact CD2-CG1 3.95Å; F35-V41 HydrophobicContact CD2-CG2 3.86Å; F35-V41 HydrophobicContact CE2-CB 4.26Å; F35-V41 HydrophobicContact CE2-CG1 4.25Å; F35-V41 HydrophobicContact CE2-CG2 4.26Å; F35-V41 HydrophobicContact CG-CG2 4.4Å; F35-R71 HydrophobicContact CE2-CB 4.17Å; F35-R71 HydrophobicContact CZ-CB 4.01Å; F35-R71 WeakPolarHBondContact O-CD 3.37Å; F35-L135 HydrophobicContact CD2-CD2 3.92Å; F35-L135 HydrophobicContact CE2-CD2 4.47Å; F35-Y139 HydrophobicContact CB-CD2 4.11Å; F35-Y139 HydrophobicContact CB-CG 4.39Å; F35-Y139 HydrophobicContact CD2-CD2 4.31Å; F35-Y139 HydrophobicContact CG-CD2 4.21Å; F35-Y139 HydrophobicContact CG-CG 4.41Å; F35-H140 HydrophobicContact CE1-CB 4.04Å; F35-H140 HydrophobicContact CZ-CB 4.36Å
36	C	98	Very high	96.5	Very high	17 Å²	17	28.4 Å²	28.4	12%	0.115	17%	0.165	C	C	.	.	H	α-helix	trans	-74.3	-32.5	-174	-66.7	0	0	0	0	113.3	Q32 D33 R71 Y139 C143	Q32-C36 WeakPolarHBondContact O-CB 3.29Å; Q32-C36 PolarHBondContact O-N 2.86Å; Q32-C36 PolarHBondContact O-SG 2.83Å; D33-C36 PolarHBondContact O-N 2.95Å; D33-C36 VanDerWaalsContact O-N 3.14Å; C36-R71 VanDerWaalsContact O-CZ 3.26Å; C36-R71 PolarHBondContact O-NH2 3.25Å; C36-Y139 PolarHBondContact SG-O 3.37Å; C36-C143 HydrophobicContact CB-CB 3.83Å; C36-C143 WeakPolarHBondContact CB-SG 3.25Å; C36-C143 WeakPolarHBondContact SG-CA 3.02Å; C36-C143 WeakPolarHBondContact SG-CB 3.32Å; C36-C143 CovalentContact SG-SG 2.05Å; C36-C143 PolarHBondContact SG-SG 2.03Å
37	N	97.3	Very high	96.9	Very high	102 Å²	102	29 Å²	29	55%	0.545	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.9	-178.2	-64.2	-31	0	0	0	113.7	D33	D33-N37 VanDerWaalsContact O-CB 3.23Å; D33-N37 WeakPolarHBondContact O-CB 3.5Å; D33-N37 VanDerWaalsContact O-CG 3.28Å; D33-N37 PolarHBondContact O-N 2.82Å; D33-N37 PolarHBondContact O-ND2 2.85Å
38	S	98.2	Very high	97.3	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.042	15%	0.146	C	C	.	.			trans	-95.2	146.3	175.3	-65.1	0	0	0	0	111.5	A34 R71 T105 G106	A34-S38 VanDerWaalsContact O-CB 3.29Å; A34-S38 WeakPolarHBondContact O-CB 3.26Å; A34-S38 PolarHBondContact O-N 2.8Å; A34-S38 PolarHBondContact O-OG 3.09Å; S38-R71 WeakPolarHBondContact O-CD 3.47Å; S38-R71 PolarHBondContact O-NE 3.4Å; S38-T105 WeakPolarHBondContact OG-CB 3.4Å; S38-G106 WeakPolarHBondContact CB-O 3.36Å
39	D	98.3	Very high	97.7	Very high	46 Å²	46	29.7 Å²	29.7	25%	0.246	16%	0.159	C	C	.	.	S	Bend	trans	-75.2	-38.6	170.7	-67.2	-51.1	0	0	0	110.6	G72 G106 R107 V108	D39-G72 WeakPolarHBondContact O-CA 3.49Å; D39-G106 PolarHBondContact N-O 2.85Å; D39-R107 WeakPolarHBondContact OD2-CA 3.43Å; D39-V108 HydrophobicContact CB-CB 4.35Å; D39-V108 HydrophobicContact CB-CG2 3.98Å; D39-V108 PolarHBondContact OD2-N 3.19Å
40	I	98.5	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.8	-173.9	-62.4	-72.2	0	0	0	109.8	I42 K75 M76 V79 T105 G106 V108 M113	I40-I42 HydrophobicContact CG2-CG1 4.47Å; I40-I42 HydrophobicContact CG2-CG2 3.73Å; I40-K75 HydrophobicContact CD1-CB 4.5Å; I40-M76 HydrophobicContact CD1-CB 3.72Å; I40-V79 HydrophobicContact CG2-CG2 3.91Å; I40-T105 WeakPolarHBondContact O-CA 3.47Å; I40-G106 PolarHBondContact N-O 2.94Å; I40-G106 PolarHBondContact O-N 3.24Å; I40-V108 HydrophobicContact CD1-CG2 4.18Å; I40-V108 HydrophobicContact CG1-CG2 3.47Å; I40-V108 VanDerWaalsContact CG1-CG2 3.47Å; I40-M113 HydrophobicContact CB-CE 4.11Å; I40-M113 HydrophobicContact CB-CG 4.49Å; I40-M113 HydrophobicContact CB-SD 4.16Å; I40-M113 HydrophobicContact CG2-CE 3.71Å; I40-M113 HydrophobicContact CG2-SD 3.59Å; I40-M113 VanDerWaalsContact CG2-SD 3.59Å
41	V	98.6	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	115.1	170	-175.7	0	0	0	0	108.9	F35 Y70 R71 L103 L104 T105 L135	F35-V41 HydrophobicContact CD2-CB 4.18Å; F35-V41 HydrophobicContact CD2-CG1 3.95Å; F35-V41 HydrophobicContact CD2-CG2 3.86Å; F35-V41 HydrophobicContact CE2-CB 4.26Å; F35-V41 HydrophobicContact CE2-CG1 4.25Å; F35-V41 HydrophobicContact CE2-CG2 4.26Å; F35-V41 HydrophobicContact CG-CG2 4.4Å; V41-Y70 HydrophobicContact CG1-CD2 4.21Å; V41-Y70 PolarHBondContact O-N 2.81Å; V41-R71 HydrophobicContact CB-CB 3.9Å; V41-R71 HydrophobicContact CG2-CB 3.86Å; V41-R71 PolarHBondContact N-O 3.09Å; V41-R71 VanDerWaalsContact N-O 3.09Å; V41-R71 PolarHBondContact O-N 3.11Å; V41-L103 HydrophobicContact CG1-CD1 3.77Å; V41-L104 WeakPolarHBondContact CA-O 3.37Å; V41-T105 HydrophobicContact CB-CG2 4.45Å; V41-T105 HydrophobicContact CG1-CG2 3.97Å; V41-T105 HydrophobicContact CG2-CG2 3.99Å; V41-L135 HydrophobicContact CG1-CD2 4.04Å
42	I	98.7	Very high	97.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154	-175	62.4	174.8	0	0	0	112	I40 A44 I64 Q66 K68 M69 V79 I82 L103 L104 M113	I40-I42 HydrophobicContact CG2-CG1 4.47Å; I40-I42 HydrophobicContact CG2-CG2 3.73Å; I42-A44 HydrophobicContact CD1-CB 4.14Å; I42-A44 HydrophobicContact CG1-CB 4.5Å; I42-I64 HydrophobicContact CD1-CD1 4.03Å; I42-Q66 HydrophobicContact CG2-CG 4.42Å; I42-K68 CarbonylContact C-O 3.5Å; I42-K68 VanDerWaalsContact CA-O 3.26Å; I42-K68 WeakPolarHBondContact CA-O 3.43Å; I42-K68 WeakPolarHBondContact CB-O 2.9Å; I42-M69 HydrophobicContact CG2-CB 4.14Å; I42-M69 HydrophobicContact CG2-CE 4.1Å; I42-M69 HydrophobicContact CG2-CG 4.07Å; I42-V79 HydrophobicContact CD1-CB 3.94Å; I42-V79 HydrophobicContact CD1-CG1 4.05Å; I42-V79 HydrophobicContact CD1-CG2 4.11Å; I42-V79 HydrophobicContact CG2-CG2 4.37Å; I42-I82 HydrophobicContact CD1-CD1 4.4Å; I42-L103 WeakPolarHBondContact O-CA 3.28Å; I42-L104 HydrophobicContact CG1-CB 4.03Å; I42-L104 PolarHBondContact N-O 2.85Å; I42-L104 PolarHBondContact O-N 2.79Å; I42-M113 HydrophobicContact CD1-SD 4.19Å; I42-M113 HydrophobicContact CG1-CE 4.5Å
43	R	98.7	Very high	97.3	Very high	61 Å²	61	47.6 Å²	47.6	23%	0.23	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.5	158.5	177.6	-175.3	178.5	-179.6	1.4	108	M67 K68 Y70 Y102 W124	R43-M67 HydrophobicContact CG-CB 4.41Å; R43-M67 WeakPolarHBondContact O-CA 3.36Å; R43-M67 WeakPolarHBondContact O-CB 3.49Å; R43-M67 PolarHBondContact O-N 3.06Å; R43-K68 HydrophobicContact CB-CB 4.35Å; R43-K68 PolarHBondContact N-O 3.19Å; R43-K68 PolarHBondContact O-N 2.98Å; R43-K68 VanDerWaalsContact O-N 3.11Å; R43-Y70 HydrophobicContact CB-CE2 3.94Å; R43-Y102 CarbonylContact C-O 3.52Å; R43-Y102 VanDerWaalsContact CA-O 3.28Å; R43-Y102 WeakPolarHBondContact CA-O 3.33Å; R43-W124 HydrophobicContact CB-CE3 4.16Å; R43-W124 HydrophobicContact CB-CZ3 4.28Å; R43-W124 HydrophobicContact CG-CD2 4.06Å; R43-W124 HydrophobicContact CG-CE3 3.82Å; R43-W124 HydrophobicContact CG-CG 4.46Å; R43-W124 HydrophobicContact CG-CZ3 4.36Å; R43-W124 VanDerWaalsContact CZ-CE2 3.43Å; R43-W124 VanDerWaalsContact NH2-CD1 3.28Å
44	A	98.6	Very high	96.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	159.6	-178.8	0	0	0	0	0	112.7	I42 I64 K65 Q101 Y102 L104	I42-A44 HydrophobicContact CD1-CB 4.14Å; I42-A44 HydrophobicContact CG1-CB 4.5Å; A44-I64 HydrophobicContact CB-CB 4.16Å; A44-I64 HydrophobicContact CB-CD1 3.81Å; A44-I64 HydrophobicContact CB-CG1 4.39Å; A44-K65 WeakPolarHBondContact CA-O 3.47Å; A44-Q101 CarbonylContact O-C 3.6Å; A44-Q101 WeakPolarHBondContact O-CA 3.18Å; A44-Y102 PolarHBondContact N-O 2.99Å; A44-Y102 PolarHBondContact O-N 3.48Å; A44-L104 HydrophobicContact CB-CD1 4.04Å
45	K	98.6	Very high	95.2	Very high	70 Å²	70	54.7 Å²	54.7	30%	0.304	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.2	168.3	-175.9	169.6	-178.1	175.6	0	109.1	I64 K65 M67 N98 Q101	K45-I64 CarbonylContact O-C 3.59Å; K45-I64 WeakPolarHBondContact O-CA 3.38Å; K45-K65 PolarHBondContact N-O 3.44Å; K45-K65 PolarHBondContact O-N 2.85Å; K45-M67 HydrophobicContact CB-SD 4.49Å; K45-N98 VanDerWaalsContact CE-C 3.48Å; K45-N98 WeakPolarHBondContact CE-O 3.11Å; K45-N98 PolarHBondContact NZ-O 3.37Å; K45-Q101 HydrophobicContact CB-CG 4.41Å
46	V	98.5	Very high	94.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.7	174.7	-177.1	0	0	0	0	109.2	Y62 I64 L95 V97 N98 Y102	V46-Y62 HydrophobicContact CG1-CD1 3.56Å; V46-Y62 HydrophobicContact CG1-CE1 4.27Å; V46-Y62 HydrophobicContact CG1-CG 4.34Å; V46-I64 HydrophobicContact CG2-CG2 4.15Å; V46-L95 HydrophobicContact CG2-CB 3.88Å; V46-L95 HydrophobicContact CG2-CD1 3.77Å; V46-L95 HydrophobicContact CG2-CG 4.43Å; V46-V97 HydrophobicContact CG1-CB 4.44Å; V46-V97 HydrophobicContact CG1-CG2 3.94Å; V46-N98 WeakPolarHBondContact O-CA 3.44Å; V46-N98 PolarHBondContact O-N 2.95Å; V46-Y102 HydrophobicContact CG2-CD2 4.14Å; V46-Y102 HydrophobicContact CG2-CE2 4.24Å
47	V	98.4	Very high	93.7	Very high	62 Å²	62	66.1 Å²	66.1	38%	0.376	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-17.6	-177.1	-62.5	0	0	0	0	113.3	T63 K65 V97	V47-T63 HydrophobicContact CG2-CG2 3.73Å; V47-T63 VanDerWaalsContact CG2-O 3.28Å; V47-T63 WeakPolarHBondContact CG2-O 3.49Å; V47-T63 PolarHBondContact N-O 2.97Å; V47-K65 HydrophobicContact CG1-CB 4.12Å; V47-V97 WeakPolarHBondContact O-CG1 3.07Å
48	G	98.1	Very high	93.5	Very high	19 Å²	19	61.6 Å²	61.6	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	164.7	175.4	0	0	0	0	0	112.1	Y62 T63	G48-Y62 WeakPolarHBondContact O-CA 3.39Å; G48-T63 PolarHBondContact N-O 2.9Å; G48-T63 PolarHBondContact O-N 2.82Å
49	K	97.5	Very high	93.3	Very high	136 Å²	136	62.4 Å²	62.4	59%	0.591	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.4	172.4	68.7	-178.7	179.3	176.9	0	110.3	L60 V61 Y62 V97	K49-L60 HydrophobicContact CB-CD1 4.5Å; K49-V61 CarbonylContact C-O 3.58Å; K49-V61 WeakPolarHBondContact CA-O 3.35Å; K49-Y62 HydrophobicContact CB-CD1 3.6Å; K49-Y62 HydrophobicContact CB-CE1 3.58Å; K49-Y62 HydrophobicContact CD-CE1 4.12Å; K49-Y62 HydrophobicContact CG-CE1 4.48Å; K49-V97 HydrophobicContact CB-CG2 4.15Å; K49-V97 HydrophobicContact CD-CG2 3.96Å; K49-V97 HydrophobicContact CG-CG2 3.93Å
50	K	97.1	Very high	93.2	Very high	145 Å²	145	61.4 Å²	61.4	63%	0.63	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.1	176.1	-178.6	-178.6	177.1	-174.3	0	109.1	V52 V61	K50-V52 HydrophobicContact CD-CG2 4.35Å; K50-V52 HydrophobicContact CG-CG2 4.37Å; K50-V61 PolarHBondContact N-O 2.85Å; K50-V61 PolarHBondContact O-N 2.89Å
51	L	95.8	Very high	93.2	Very high	86 Å²	86	62.3 Å²	62.3	45%	0.45	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.7	168	-178.6	64.8	0	0	0	108.7	K53 A86	L51-K53 HydrophobicContact CD2-CG 4.43Å; L51-K53 HydrophobicContact CG-CG 4.41Å; L51-A86 HydrophobicContact CD1-CB 3.54Å
52	V	94.9	Very high	93.2	Very high	29 Å²	29	62.4 Å²	62.4	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114	174.3	179.6	0	0	0	0	107.3	K50 E54 G58 T59 V61	K50-V52 HydrophobicContact CD-CG2 4.35Å; K50-V52 HydrophobicContact CG-CG2 4.37Å; V52-E54 HydrophobicContact CG1-CB 4.14Å; V52-E54 HydrophobicContact CG1-CG 3.63Å; V52-E54 WeakPolarHBondContact CG1-OE1 2.98Å; V52-E54 PolarHBondContact O-N 3.21Å; V52-G58 WeakPolarHBondContact O-CA 3.47Å; V52-T59 PolarHBondContact N-O 2.68Å; V52-T59 PolarHBondContact O-N 2.79Å; V52-V61 HydrophobicContact CB-CG2 4.41Å; V52-V61 HydrophobicContact CG2-CB 4.5Å; V52-V61 HydrophobicContact CG2-CG2 3.76Å
53	K	86	Confident	93.2	Very high	179 Å²	179	65 Å²	65	78%	0.778	34%	0.341	S	S	*	.			trans	-86	61	179.1	-64	-174.9	179.2	-176.7	0	110.3	L51	L51-K53 HydrophobicContact CD2-CG 4.43Å; L51-K53 HydrophobicContact CG-CG 4.41Å
54	E	77.1	Confident	93.2	Very high	129 Å²	129	62.6 Å²	62.6	60%	0.603	33%	0.332	S	S	*	.			trans	-93.1	117.5	167.7	-77.4	169.9	-159.7	0	0	107.6	V52	V52-E54 HydrophobicContact CG1-CB 4.14Å; V52-E54 HydrophobicContact CG1-CG 3.63Å; V52-E54 WeakPolarHBondContact CG1-OE1 2.98Å; V52-E54 PolarHBondContact O-N 3.21Å
55	G	73.6	Confident	93.2	Very high	61 Å²	61	69.6 Å²	69.6	63%	0.629	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-178.3	-177.1	0	0	0	0	0	115.3	F57	G55-F57 PolarHBondContact O-N 2.67Å
56	P	81.4	Confident	93.2	Very high	120 Å²	120	68.1 Å²	68.1	78%	0.779	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-24	-171.5	26.6	-33.2	0	0	0	114.1
57	F	84.6	Confident	93.2	Very high	137 Å²	137	72.6 Å²	72.6	60%	0.601	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-22	-172.2	-54.1	-57.3	0	0	0	113.7	G55 L90	G55-F57 PolarHBondContact O-N 2.67Å; F57-L90 HydrophobicContact CB-CD1 3.63Å; F57-L90 HydrophobicContact CD1-CD1 3.76Å; F57-L90 HydrophobicContact CD2-CD1 4.34Å; F57-L90 HydrophobicContact CG-CD1 3.64Å
58	G	91.9	Very high	93.2	Very high	7 Å²	7	73.9 Å²	73.9	7%	0.072	38%	0.379	C	S	.	.			trans	70.3	147.8	-179.2	0	0	0	0	0	113.8	V52 A86	V52-G58 WeakPolarHBondContact O-CA 3.47Å; G58-A86 VanDerWaalsContact O-CB 3.25Å; G58-A86 WeakPolarHBondContact O-CB 3.44Å; G58-A86 PolarHBondContact O-N 3.45Å; G58-A86 VanDerWaalsContact O-N 3.11Å
59	T	95.3	Very high	93.2	Very high	24 Å²	24	73.6 Å²	73.6	15%	0.147	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.1	179.3	-55.1	0	0	0	0	109.9	V52 V61 H83 T84	V52-T59 PolarHBondContact N-O 2.68Å; V52-T59 PolarHBondContact O-N 2.79Å; T59-V61 HydrophobicContact CG2-CG2 4.18Å; T59-H83 HydrophobicContact CG2-CB 4.03Å; T59-T84 WeakPolarHBondContact CG2-O 3.17Å
60	L	96.4	Very high	93.2	Very high	24 Å²	24	68.3 Å²	68.3	13%	0.126	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.5	170.7	-169.7	61.2	0	0	0	109.2	K49 Y62 T84	K49-L60 HydrophobicContact CB-CD1 4.5Å; L60-Y62 HydrophobicContact CD2-CE1 4.45Å; L60-Y62 HydrophobicContact CD2-CE2 3.67Å; L60-Y62 VanDerWaalsContact CD2-CZ 3.5Å; L60-Y62 WeakPolarHBondContact CD2-OH 3.36Å; L60-Y62 HydrophobicContact CG-CD2 4.48Å; L60-Y62 HydrophobicContact CG-CE2 3.83Å; L60-T84 HydrophobicContact CB-CG2 3.99Å; L60-T84 PolarHBondContact N-O 3.01Å; L60-T84 PolarHBondContact O-N 2.78Å
61	V	97.9	Very high	93.2	Very high	19 Å²	19	64.7 Å²	64.7	12%	0.115	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.2	-179.1	-174.2	0	0	0	0	109.3	K49 K50 V52 T59 Y81 I82	K49-V61 CarbonylContact C-O 3.58Å; K49-V61 WeakPolarHBondContact CA-O 3.35Å; K50-V61 PolarHBondContact N-O 2.85Å; K50-V61 PolarHBondContact O-N 2.89Å; V52-V61 HydrophobicContact CB-CG2 4.41Å; V52-V61 HydrophobicContact CG2-CB 4.5Å; V52-V61 HydrophobicContact CG2-CG2 3.76Å; T59-V61 HydrophobicContact CG2-CG2 4.18Å; V61-Y81 HydrophobicContact CG1-CD1 4.19Å; V61-Y81 HydrophobicContact CG1-CG 4.46Å; V61-I82 CarbonylContact C-O 3.57Å; V61-I82 WeakPolarHBondContact CA-O 3.48Å
62	Y	98.6	Very high	93.3	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.3	176.4	-71	-76.7	0	0	0	110.7	V46 G48 K49 L60 Y81 I82 T84 L93 K94 L95	V46-Y62 HydrophobicContact CG1-CD1 3.56Å; V46-Y62 HydrophobicContact CG1-CE1 4.27Å; V46-Y62 HydrophobicContact CG1-CG 4.34Å; G48-Y62 WeakPolarHBondContact O-CA 3.39Å; K49-Y62 HydrophobicContact CB-CD1 3.6Å; K49-Y62 HydrophobicContact CB-CE1 3.58Å; K49-Y62 HydrophobicContact CD-CE1 4.12Å; K49-Y62 HydrophobicContact CG-CE1 4.48Å; L60-Y62 HydrophobicContact CD2-CE1 4.45Å; L60-Y62 HydrophobicContact CD2-CE2 3.67Å; L60-Y62 VanDerWaalsContact CD2-CZ 3.5Å; L60-Y62 WeakPolarHBondContact CD2-OH 3.36Å; L60-Y62 HydrophobicContact CG-CD2 4.48Å; L60-Y62 HydrophobicContact CG-CE2 3.83Å; Y62-Y81 CarbonylContact O-C 3.6Å; Y62-Y81 VanDerWaalsContact O-CA 3.29Å; Y62-Y81 WeakPolarHBondContact O-CA 3.48Å; Y62-I82 PolarHBondContact N-O 2.88Å; Y62-I82 PolarHBondContact O-N 3.45Å; Y62-T84 HydrophobicContact CD2-CG2 4.17Å; Y62-T84 HydrophobicContact CE2-CG2 3.76Å; Y62-L93 PolarHBondContact OH-O 3.25Å; Y62-K94 WeakPolarHBondContact OH-CA 3.48Å; Y62-L95 HydrophobicContact CD1-CB 4.33Å; Y62-L95 HydrophobicContact CD2-CD1 4.26Å; Y62-L95 HydrophobicContact CE1-CB 3.88Å; Y62-L95 HydrophobicContact CE2-CB 4.33Å; Y62-L95 HydrophobicContact CE2-CD1 4.43Å; Y62-L95 HydrophobicContact CE2-CG 4.38Å; Y62-L95 HydrophobicContact CG-CD1 4.42Å; Y62-L95 PolarHBondContact OH-N 3.29Å
63	T	98.6	Very high	93.3	Very high	55 Å²	55	66 Å²	66	34%	0.337	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128	165.9	-50.3	0	0	0	0	108.1	V47 G48 Y81	V47-T63 HydrophobicContact CG2-CG2 3.73Å; V47-T63 VanDerWaalsContact CG2-O 3.28Å; V47-T63 WeakPolarHBondContact CG2-O 3.49Å; V47-T63 PolarHBondContact N-O 2.97Å; G48-T63 PolarHBondContact N-O 2.9Å; G48-T63 PolarHBondContact O-N 2.82Å; T63-Y81 HydrophobicContact CG2-CD1 4.46Å; T63-Y81 HydrophobicContact CG2-CE1 4.07Å
64	I	98.6	Very high	93.8	Very high	10 Å²	10	63 Å²	63	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.4	-175.7	64.2	90.9	0	0	0	111.9	I42 A44 K45 V46 Q66 V79 Q80 I82	I42-I64 HydrophobicContact CD1-CD1 4.03Å; A44-I64 HydrophobicContact CB-CB 4.16Å; A44-I64 HydrophobicContact CB-CD1 3.81Å; A44-I64 HydrophobicContact CB-CG1 4.39Å; K45-I64 CarbonylContact O-C 3.59Å; K45-I64 WeakPolarHBondContact O-CA 3.38Å; V46-I64 HydrophobicContact CG2-CG2 4.15Å; I64-Q66 HydrophobicContact CD1-CB 3.95Å; I64-V79 HydrophobicContact CD1-CB 4.26Å; I64-V79 HydrophobicContact CD1-CG1 4.15Å; I64-V79 WeakPolarHBondContact CD1-O 3.41Å; I64-V79 HydrophobicContact CG1-CG1 4.42Å; I64-Q80 PolarHBondContact N-O 3.01Å; I64-I82 HydrophobicContact CG1-CD1 4.02Å; I64-I82 HydrophobicContact CG1-CG1 4.11Å; I64-I82 HydrophobicContact CG2-CD1 3.83Å; I64-I82 HydrophobicContact CG2-CG1 4.26Å
65	K	98.5	Very high	94.7	Very high	146 Å²	146	63.2 Å²	63.2	64%	0.635	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	101.7	164.7	-176.3	176.8	-178.5	175	0	108	A44 K45 V47 M67	A44-K65 WeakPolarHBondContact CA-O 3.47Å; K45-K65 PolarHBondContact N-O 3.44Å; K45-K65 PolarHBondContact O-N 2.85Å; V47-K65 HydrophobicContact CG1-CB 4.12Å; K65-M67 PolarHBondContact O-N 3.02Å
66	Q	98.4	Very high	95.8	Very high	40 Å²	40	61.6 Å²	61.6	19%	0.187	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	124.2	174.5	-176.7	-177.8	-66.1	0	0	109.3	I42 I64	I42-Q66 HydrophobicContact CG2-CG 4.42Å; I64-Q66 HydrophobicContact CD1-CB 3.95Å
67	M	98.2	Very high	96.4	Very high	93 Å²	93	60.7 Å²	60.7	46%	0.458	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-38.6	179.4	-57.6	-177.9	70.3	0	0	111.7	R43 K45 K65 Q101	R43-M67 HydrophobicContact CG-CB 4.41Å; R43-M67 WeakPolarHBondContact O-CA 3.36Å; R43-M67 WeakPolarHBondContact O-CB 3.49Å; R43-M67 PolarHBondContact O-N 3.06Å; K45-M67 HydrophobicContact CB-SD 4.49Å; K65-M67 PolarHBondContact O-N 3.02Å; M67-Q101 HydrophobicContact SD-CB 4.44Å; M67-Q101 HydrophobicContact SD-CG 3.79Å; M67-Q101 PolarHBondContact SD-OE1 3.02Å; M67-Q101 VanDerWaalsContact SD-OE1 3.39Å
68	K	98.1	Very high	97	Very high	89 Å²	89	59 Å²	59	39%	0.387	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	141.9	177.9	-177.6	162	176.7	173.6	0	110.5	I42 R43 Y70 N136	I42-K68 CarbonylContact C-O 3.5Å; I42-K68 VanDerWaalsContact CA-O 3.26Å; I42-K68 WeakPolarHBondContact CA-O 3.43Å; I42-K68 WeakPolarHBondContact CB-O 2.9Å; R43-K68 HydrophobicContact CB-CB 4.35Å; R43-K68 PolarHBondContact N-O 3.19Å; R43-K68 PolarHBondContact O-N 2.98Å; R43-K68 VanDerWaalsContact O-N 3.11Å; K68-Y70 HydrophobicContact CB-CE2 4.48Å; K68-Y70 HydrophobicContact CD-CD1 4.48Å; K68-Y70 HydrophobicContact CD-CE1 3.72Å; K68-Y70 VanDerWaalsContact CE-CE1 3.42Å; K68-Y70 HydrophobicContact CG-CE1 4.09Å; K68-Y70 HydrophobicContact CG-CE2 4.28Å; K68-N136 WeakPolarHBondContact CE-OD1 3.3Å; K68-N136 PolarHBondContact NZ-OD1 3.03Å
69	M	98.2	Very high	97.2	Very high	13 Å²	13	58.6 Å²	58.6	6%	0.064	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.2	168.5	-175.7	174.9	-75.3	0	0	109.5	I42 R71 F73 M76 V79	I42-M69 HydrophobicContact CG2-CB 4.14Å; I42-M69 HydrophobicContact CG2-CE 4.1Å; I42-M69 HydrophobicContact CG2-CG 4.07Å; M69-R71 WeakPolarHBondContact CG-O 3.41Å; M69-F73 HydrophobicContact CB-CD1 4.4Å; M69-F73 HydrophobicContact CB-CE1 3.78Å; M69-F73 HydrophobicContact CB-CZ 3.9Å; M69-F73 HydrophobicContact CG-CD1 4.14Å; M69-F73 HydrophobicContact CG-CD2 4.37Å; M69-F73 HydrophobicContact CG-CE1 3.9Å; M69-F73 HydrophobicContact CG-CE2 4.13Å; M69-F73 HydrophobicContact CG-CG 4.38Å; M69-F73 HydrophobicContact CG-CZ 3.89Å; M69-F73 WeakPolarHBondContact O-CZ 3.01Å; M69-F73 VanDerWaalsContact SD-CA 3.58Å; M69-F73 HydrophobicContact SD-CB 4.22Å; M69-F73 HydrophobicContact SD-CD1 3.55Å; M69-F73 VanDerWaalsContact SD-CD1 3.55Å; M69-F73 HydrophobicContact SD-CD2 4.23Å; M69-F73 HydrophobicContact SD-CE1 3.91Å; M69-F73 HydrophobicContact SD-CG 3.73Å; M69-F73 HydrophobicContact SD-CZ 4.39Å; M69-F73 PolarHBondContact SD-N 3.4Å; M69-F73 VanDerWaalsContact SD-N 3.43Å; M69-M76 WeakPolarHBondContact CE-O 3.34Å; M69-V79 HydrophobicContact CE-CG2 4.32Å
70	Y	98.1	Very high	97.4	Very high	25 Å²	25	62.5 Å²	62.5	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-27.3	175.6	-58.6	-81.4	0	0	0	111.8	V41 R43 K68 L103 W124 L135	V41-Y70 HydrophobicContact CG1-CD2 4.21Å; V41-Y70 PolarHBondContact O-N 2.81Å; R43-Y70 HydrophobicContact CB-CE2 3.94Å; K68-Y70 HydrophobicContact CB-CE2 4.48Å; K68-Y70 HydrophobicContact CD-CD1 4.48Å; K68-Y70 HydrophobicContact CD-CE1 3.72Å; K68-Y70 VanDerWaalsContact CE-CE1 3.42Å; K68-Y70 HydrophobicContact CG-CE1 4.09Å; K68-Y70 HydrophobicContact CG-CE2 4.28Å; Y70-L103 HydrophobicContact CD2-CD1 4.46Å; Y70-L103 HydrophobicContact CE2-CD1 4.44Å; Y70-W124 HydrophobicContact CE2-CH2 4.46Å; Y70-W124 HydrophobicContact CE2-CZ3 4.14Å; Y70-W124 AromaticContact CZ-CH2 3.84Å; Y70-W124 AromaticContact CZ-CZ3 3.98Å; Y70-W124 WeakPolarHBondContact OH-CH2 3.39Å; Y70-W124 VanDerWaalsContact OH-CZ3 3.3Å; Y70-W124 WeakPolarHBondContact OH-CZ3 3.37Å; Y70-L135 HydrophobicContact CD1-CB 3.83Å; Y70-L135 WeakPolarHBondContact CD1-O 3.28Å; Y70-L135 HydrophobicContact CE1-CB 4Å; Y70-L135 HydrophobicContact CE2-CD1 4.4Å; Y70-L135 HydrophobicContact CG-CB 4.12Å
71	R	97.6	Very high	97.5	Very high	70 Å²	70	66.7 Å²	66.7	26%	0.264	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148.4	177.9	-175.4	177.5	174.1	113.2	0.4	110.4	F35 C36 S38 V41 M69	F35-R71 HydrophobicContact CE2-CB 4.17Å; F35-R71 HydrophobicContact CZ-CB 4.01Å; F35-R71 WeakPolarHBondContact O-CD 3.37Å; C36-R71 VanDerWaalsContact O-CZ 3.26Å; C36-R71 PolarHBondContact O-NH2 3.25Å; S38-R71 WeakPolarHBondContact O-CD 3.47Å; S38-R71 PolarHBondContact O-NE 3.4Å; V41-R71 HydrophobicContact CB-CB 3.9Å; V41-R71 HydrophobicContact CG2-CB 3.86Å; V41-R71 PolarHBondContact N-O 3.09Å; V41-R71 VanDerWaalsContact N-O 3.09Å; V41-R71 PolarHBondContact O-N 3.11Å; M69-R71 WeakPolarHBondContact CG-O 3.41Å
72	G	96.6	Very high	97.5	Very high	10 Å²	10	65.8 Å²	65.8	10%	0.103	32%	0.322	C	S	.	.			trans	102	15.3	171.8	0	0	0	0	0	115.8	D39 S74 K75 M76	D39-G72 WeakPolarHBondContact O-CA 3.49Å; G72-S74 PolarHBondContact O-N 3.23Å; G72-S74 VanDerWaalsContact O-N 3.13Å; G72-K75 PolarHBondContact O-N 3.25Å; G72-M76 PolarHBondContact O-N 2.95Å
73	F	96.1	Very high	97.4	Very high	132 Å²	132	66.7 Å²	66.7	58%	0.579	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.6	178.2	-61.8	-86.6	0	0	0	113.8	M69	M69-F73 HydrophobicContact CB-CD1 4.4Å; M69-F73 HydrophobicContact CB-CE1 3.78Å; M69-F73 HydrophobicContact CB-CZ 3.9Å; M69-F73 HydrophobicContact CG-CD1 4.14Å; M69-F73 HydrophobicContact CG-CD2 4.37Å; M69-F73 HydrophobicContact CG-CE1 3.9Å; M69-F73 HydrophobicContact CG-CE2 4.13Å; M69-F73 HydrophobicContact CG-CG 4.38Å; M69-F73 HydrophobicContact CG-CZ 3.89Å; M69-F73 WeakPolarHBondContact O-CZ 3.01Å; M69-F73 VanDerWaalsContact SD-CA 3.58Å; M69-F73 HydrophobicContact SD-CB 4.22Å; M69-F73 HydrophobicContact SD-CD1 3.55Å; M69-F73 VanDerWaalsContact SD-CD1 3.55Å; M69-F73 HydrophobicContact SD-CD2 4.23Å; M69-F73 HydrophobicContact SD-CE1 3.91Å; M69-F73 HydrophobicContact SD-CG 3.73Å; M69-F73 HydrophobicContact SD-CZ 4.39Å; M69-F73 PolarHBondContact SD-N 3.4Å; M69-F73 VanDerWaalsContact SD-N 3.43Å
74	S	95.7	Very high	97.4	Very high	117 Å²	117	64.2 Å²	64.2	82%	0.818	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-19.1	177.7	55.3	0	0	0	0	114.3	G72	G72-S74 PolarHBondContact O-N 3.23Å; G72-S74 VanDerWaalsContact O-N 3.13Å
75	K	96.1	Very high	97.2	Very high	133 Å²	133	67.1 Å²	67.1	58%	0.578	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-45.4	-177.1	-71.4	-71.5	-169.5	170.5	0	111.8	I40 G72	I40-K75 HydrophobicContact CD1-CB 4.5Å; G72-K75 PolarHBondContact O-N 3.25Å
76	M	96.1	Very high	97	Very high	26 Å²	26	61.7 Å²	61.7	13%	0.128	31%	0.306	C	S	.	.			trans	-152.1	97.5	177.5	-179.7	177.1	-69.2	0	0	107.6	I40 M69 G72 H78 V79 V108 G111 M113	I40-M76 HydrophobicContact CD1-CB 3.72Å; M69-M76 WeakPolarHBondContact CE-O 3.34Å; G72-M76 PolarHBondContact O-N 2.95Å; M76-H78 PolarHBondContact O-N 2.94Å; M76-H78 VanDerWaalsContact O-N 3.16Å; M76-V79 HydrophobicContact CG-CG2 4.21Å; M76-V79 HydrophobicContact SD-CB 4.37Å; M76-V79 HydrophobicContact SD-CG1 4.41Å; M76-V79 HydrophobicContact SD-CG2 3.82Å; M76-V108 HydrophobicContact CB-CG2 4.4Å; M76-V108 HydrophobicContact CE-CG1 3.91Å; M76-V108 HydrophobicContact CE-CG2 4.18Å; M76-G111 VanDerWaalsContact CE-C 3.45Å; M76-G111 WeakPolarHBondContact CE-O 3.27Å; M76-M113 HydrophobicContact SD-CB 4.29Å
77	P	94.6	Very high	96.7	Very high	101 Å²	101	62 Å²	62	66%	0.656	31%	0.313	S	S	*	.	S	Bend	trans	-59.7	-29.7	-172.1	-26.5	34.2	0	0	0	114.1
78	H	96.6	Very high	96.5	Very high	101 Å²	101	61 Å²	61	47%	0.468	31%	0.308	S	S	.	.			trans	-143.9	126.9	177.4	-172.6	64.6	0	0	0	111.1	M76 Q80	M76-H78 PolarHBondContact O-N 2.94Å; M76-H78 VanDerWaalsContact O-N 3.16Å; H78-Q80 VanDerWaalsContact CD2-CG 3.48Å; H78-Q80 WeakPolarHBondContact CD2-CG 3.32Å
79	V	97.9	Very high	96.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.			trans	-97.7	122	177.3	-173.6	0	0	0	0	108.9	I40 I42 I64 M69 M76 Y81 I82 M113	I40-V79 HydrophobicContact CG2-CG2 3.91Å; I42-V79 HydrophobicContact CD1-CB 3.94Å; I42-V79 HydrophobicContact CD1-CG1 4.05Å; I42-V79 HydrophobicContact CD1-CG2 4.11Å; I42-V79 HydrophobicContact CG2-CG2 4.37Å; I64-V79 HydrophobicContact CD1-CB 4.26Å; I64-V79 HydrophobicContact CD1-CG1 4.15Å; I64-V79 WeakPolarHBondContact CD1-O 3.41Å; I64-V79 HydrophobicContact CG1-CG1 4.42Å; M69-V79 HydrophobicContact CE-CG2 4.32Å; M76-V79 HydrophobicContact CG-CG2 4.21Å; M76-V79 HydrophobicContact SD-CB 4.37Å; M76-V79 HydrophobicContact SD-CG1 4.41Å; M76-V79 HydrophobicContact SD-CG2 3.82Å; V79-Y81 WeakPolarHBondContact CG1-O 3.35Å; V79-I82 HydrophobicContact CG1-CG1 4.12Å; V79-M113 HydrophobicContact CG1-CB 4.21Å; V79-M113 HydrophobicContact CG1-SD 3.66Å; V79-M113 HydrophobicContact CG2-SD 4.16Å
80	Q	98.1	Very high	95.9	Very high	105 Å²	105	62 Å²	62	49%	0.491	32%	0.321	S	S	.	.			trans	-107.2	-30	174.3	-61.1	-177.8	30.2	0	0	112.3	I64 H78	I64-Q80 PolarHBondContact N-O 3.01Å; H78-Q80 VanDerWaalsContact CD2-CG 3.48Å; H78-Q80 WeakPolarHBondContact CD2-CG 3.32Å
81	Y	98.3	Very high	95.7	Very high	112 Å²	112	62.6 Å²	62.6	44%	0.439	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.7	-174.3	-55.5	-72.4	0	0	0	111.3	V61 Y62 T63 V79	V61-Y81 HydrophobicContact CG1-CD1 4.19Å; V61-Y81 HydrophobicContact CG1-CG 4.46Å; Y62-Y81 CarbonylContact O-C 3.6Å; Y62-Y81 VanDerWaalsContact O-CA 3.29Å; Y62-Y81 WeakPolarHBondContact O-CA 3.48Å; T63-Y81 HydrophobicContact CG2-CD1 4.46Å; T63-Y81 HydrophobicContact CG2-CE1 4.07Å; V79-Y81 WeakPolarHBondContact CG1-O 3.35Å
82	I	98.1	Very high	95.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.9	174.7	-61.9	177.3	0	0	0	108.2	I42 V61 Y62 I64 V79 L104 M113 T115	I42-I82 HydrophobicContact CD1-CD1 4.4Å; V61-I82 CarbonylContact C-O 3.57Å; V61-I82 WeakPolarHBondContact CA-O 3.48Å; Y62-I82 PolarHBondContact N-O 2.88Å; Y62-I82 PolarHBondContact O-N 3.45Å; I64-I82 HydrophobicContact CG1-CD1 4.02Å; I64-I82 HydrophobicContact CG1-CG1 4.11Å; I64-I82 HydrophobicContact CG2-CD1 3.83Å; I64-I82 HydrophobicContact CG2-CG1 4.26Å; V79-I82 HydrophobicContact CG1-CG1 4.12Å; I82-L104 HydrophobicContact CD1-CB 4.37Å; I82-L104 HydrophobicContact CD1-CD1 3.3Å; I82-L104 HydrophobicContact CD1-CG 4.3Å; I82-M113 HydrophobicContact CD1-SD 4.22Å; I82-M113 HydrophobicContact CG1-SD 3.92Å; I82-T115 HydrophobicContact CG2-CG2 3.33Å
83	H	97.7	Very high	95.6	Very high	23 Å²	23	59.7 Å²	59.7	11%	0.106	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.7	-177.7	-54.6	75.1	0	0	0	109.1	T59 M113 Y114 T115	T59-H83 HydrophobicContact CG2-CB 4.03Å; H83-M113 PolarHBondContact N-O 3.26Å; H83-M113 PolarHBondContact ND1-O 3.2Å; H83-M113 VanDerWaalsContact ND1-O 3.15Å; H83-Y114 HydrophobicContact CB-CD1 3.51Å; H83-Y114 HydrophobicContact CB-CE1 3.47Å; H83-Y114 VanDerWaalsContact CB-CE1 3.47Å; H83-Y114 HydrophobicContact CB-CG 4.1Å; H83-Y114 VanDerWaalsContact O-CA 3.29Å; H83-Y114 WeakPolarHBondContact O-CA 3.43Å; H83-T115 PolarHBondContact O-N 3.45Å
84	T	97.3	Very high	95.6	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157	173.9	177.7	0	0	0	0	108.6	T59 L60 Y62 G92 L93 T115	T59-T84 WeakPolarHBondContact CG2-O 3.17Å; L60-T84 HydrophobicContact CB-CG2 3.99Å; L60-T84 PolarHBondContact N-O 3.01Å; L60-T84 PolarHBondContact O-N 2.78Å; Y62-T84 HydrophobicContact CD2-CG2 4.17Å; Y62-T84 HydrophobicContact CE2-CG2 3.76Å; T84-G92 WeakPolarHBondContact OG1-CA 3.48Å; T84-L93 HydrophobicContact CG2-CB 4.41Å; T84-L93 WeakPolarHBondContact CG2-O 3.45Å; T84-L93 PolarHBondContact OG1-N 3.35Å; T84-T115 WeakPolarHBondContact CB-O 3.29Å; T84-T115 PolarHBondContact OG1-O 2.05Å
85	E	95.4	Very high	95.7	Very high	70 Å²	70	54.1 Å²	54.1	33%	0.327	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	146.3	172.1	-63.7	-56.1	148.6	0	0	111.1	S87 L90 G92	E85-S87 VanDerWaalsContact C-N 3.32Å; E85-L90 HydrophobicContact CB-CB 3.92Å; E85-L90 HydrophobicContact CG-CB 4.03Å; E85-L90 WeakPolarHBondContact CG-O 3.38Å; E85-G92 WeakPolarHBondContact O-CA 3.15Å
86	A	94.1	Very high	95.7	Very high	32 Å²	32	51.9 Å²	51.9	26%	0.264	27%	0.268	S	S	.	.	S	Bend	trans	-72.6	-25.6	-179	0	0	0	0	0	113.4	L51 G58	L51-A86 HydrophobicContact CD1-CB 3.54Å; G58-A86 VanDerWaalsContact O-CB 3.25Å; G58-A86 WeakPolarHBondContact O-CB 3.44Å; G58-A86 PolarHBondContact O-N 3.45Å; G58-A86 VanDerWaalsContact O-N 3.11Å
87	S	92.6	Very high	95.8	Very high	47 Å²	47	53 Å²	53	33%	0.329	28%	0.276	S	S	.	.	S	Bend	trans	-105.5	135.2	-179.2	-172.4	0	0	0	0	111.9	E85 S89 L90 G92	E85-S87 VanDerWaalsContact C-N 3.32Å; S87-S89 PolarHBondContact O-N 2.95Å; S87-S89 PolarHBondContact OG-N 2.96Å; S87-S89 PolarHBondContact OG-OG 3.49Å; S87-L90 PolarHBondContact O-N 3.37Å; S87-G92 VanDerWaalsContact O-CA 3.25Å; S87-G92 WeakPolarHBondContact O-CA 3.25Å; S87-G92 PolarHBondContact O-N 3.43Å
88	E	92.9	Very high	95.9	Very high	73 Å²	73	52.7 Å²	52.7	34%	0.341	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.1	-31.3	173.4	-78.7	163.3	177.6	0	0	112.3	C24 L90 C91 G92 K94 L117	C24-E88 WeakPolarHBondContact CB-O 3.48Å; E88-L90 PolarHBondContact O-N 2.82Å; E88-L90 VanDerWaalsContact O-N 3.16Å; E88-C91 WeakPolarHBondContact O-CA 3.29Å; E88-C91 PolarHBondContact O-N 3.2Å; E88-G92 VanDerWaalsContact CG-O 3.31Å; E88-G92 WeakPolarHBondContact CG-O 3.12Å; E88-K94 VanDerWaalsContact CD-CE 3.48Å; E88-K94 HydrophobicContact CG-CG 4.49Å; E88-K94 WeakPolarHBondContact OE1-CD 3.4Å; E88-K94 WeakPolarHBondContact OE1-CE 3.1Å; E88-K94 WeakPolarHBondContact OE1-CG 3.41Å; E88-K94 IonicContact OE1-NZ 2.68Å; E88-K94 PolarHBondContact OE1-NZ 3.28Å; E88-K94 IonicContact OE2-NZ 3.79Å; E88-K94 PolarHBondContact OE2-NZ 3.19Å; E88-L117 HydrophobicContact CB-CD1 4.32Å; E88-L117 HydrophobicContact CG-CD1 4.38Å
89	S	91.9	Very high	95.9	Very high	49 Å²	49	53 Å²	53	34%	0.343	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.7	-22.4	174.4	62.1	0	0	0	0	113.3	S87	S87-S89 PolarHBondContact O-N 2.95Å; S87-S89 PolarHBondContact OG-N 2.96Å; S87-S89 PolarHBondContact OG-OG 3.49Å
90	L	92.3	Very high	95.9	Very high	73 Å²	73	55.6 Å²	55.6	38%	0.382	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-101.3	24.2	173.8	-61.7	175.6	0	0	0	111.8	F57 E85 S87 E88 G92	F57-L90 HydrophobicContact CB-CD1 3.63Å; F57-L90 HydrophobicContact CD1-CD1 3.76Å; F57-L90 HydrophobicContact CD2-CD1 4.34Å; F57-L90 HydrophobicContact CG-CD1 3.64Å; E85-L90 HydrophobicContact CB-CB 3.92Å; E85-L90 HydrophobicContact CG-CB 4.03Å; E85-L90 WeakPolarHBondContact CG-O 3.38Å; S87-L90 PolarHBondContact O-N 3.37Å; E88-L90 PolarHBondContact O-N 2.82Å; E88-L90 VanDerWaalsContact O-N 3.16Å; L90-G92 PolarHBondContact O-N 3.42Å
91	C	94.7	Very high	95.9	Very high	37 Å²	37	53.5 Å²	53.5	25%	0.25	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	24.9	-175.5	-54.9	0	0	0	0	114.4	C24 E88 G116 L117	C24-C91 HydrophobicContact CB-CB 4.03Å; C24-C91 WeakPolarHBondContact CB-SG 3.46Å; C24-C91 WeakPolarHBondContact SG-CA 3.44Å; C24-C91 WeakPolarHBondContact SG-CB 3.2Å; C24-C91 CovalentContact SG-SG 2.03Å; C24-C91 PolarHBondContact SG-SG 2.87Å; E88-C91 WeakPolarHBondContact O-CA 3.29Å; E88-C91 PolarHBondContact O-N 3.2Å; C91-G116 CarbonylContact O-C 3.55Å; C91-G116 WeakPolarHBondContact O-CA 3.46Å; C91-L117 HydrophobicContact CB-CB 4.48Å; C91-L117 PolarHBondContact O-N 2.87Å
92	G	95.8	Very high	95.9	Very high	2 Å²	2	49 Å²	49	2%	0.021	25%	0.252	C	S	.	.			trans	-65.5	127.9	173.6	0	0	0	0	0	112.6	T84 E85 S87 E88 L90 L117	T84-G92 WeakPolarHBondContact OG1-CA 3.48Å; E85-G92 WeakPolarHBondContact O-CA 3.15Å; S87-G92 VanDerWaalsContact O-CA 3.25Å; S87-G92 WeakPolarHBondContact O-CA 3.25Å; S87-G92 PolarHBondContact O-N 3.43Å; E88-G92 VanDerWaalsContact CG-O 3.31Å; E88-G92 WeakPolarHBondContact CG-O 3.12Å; L90-G92 PolarHBondContact O-N 3.42Å; G92-L117 WeakPolarHBondContact O-CG 3.27Å
93	L	96.1	Very high	96	Very high	17 Å²	17	49 Å²	49	9%	0.089	25%	0.252	C	S	.	.			trans	-93	128.5	179.7	174.6	71.3	0	0	0	111.3	Y62 T84 L95 T115 L117 V121	Y62-L93 PolarHBondContact OH-O 3.25Å; T84-L93 HydrophobicContact CG2-CB 4.41Å; T84-L93 WeakPolarHBondContact CG2-O 3.45Å; T84-L93 PolarHBondContact OG1-N 3.35Å; L93-L95 HydrophobicContact CD1-CD2 4.3Å; L93-L95 HydrophobicContact CD2-CD1 4.13Å; L93-L95 HydrophobicContact CD2-CD2 3.87Å; L93-L95 HydrophobicContact CD2-CG 3.92Å; L93-L95 HydrophobicContact CG-CD2 4.04Å; L93-L95 HydrophobicContact CG-CG 4.05Å; L93-T115 HydrophobicContact CD2-CG2 3.65Å; L93-L117 HydrophobicContact CB-CD2 4.49Å; L93-L117 HydrophobicContact CD1-CD2 4.01Å; L93-V121 HydrophobicContact CD1-CG1 4.33Å; L93-V121 HydrophobicContact CD2-CB 4.35Å; L93-V121 HydrophobicContact CD2-CG1 4.02Å; L93-V121 HydrophobicContact CD2-CG2 3.96Å
94	K	95.8	Very high	96	Very high	125 Å²	125	48 Å²	48	54%	0.543	25%	0.247	S	C	.	.			trans	-99.9	113.1	171.5	-64.4	-174.1	-165.7	141.2	0	111.5	Y62 E88	Y62-K94 WeakPolarHBondContact OH-CA 3.48Å; E88-K94 VanDerWaalsContact CD-CE 3.48Å; E88-K94 HydrophobicContact CG-CG 4.49Å; E88-K94 WeakPolarHBondContact OE1-CD 3.4Å; E88-K94 WeakPolarHBondContact OE1-CE 3.1Å; E88-K94 WeakPolarHBondContact OE1-CG 3.41Å; E88-K94 IonicContact OE1-NZ 2.68Å; E88-K94 PolarHBondContact OE1-NZ 3.28Å; E88-K94 IonicContact OE2-NZ 3.79Å; E88-K94 PolarHBondContact OE2-NZ 3.19Å
95	L	97.1	Very high	96.1	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.042	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-102.1	146.4	172.7	-59.9	174.5	0	0	0	112.4	V46 Y62 L93 Y102 L104 V121	V46-L95 HydrophobicContact CG2-CB 3.88Å; V46-L95 HydrophobicContact CG2-CD1 3.77Å; V46-L95 HydrophobicContact CG2-CG 4.43Å; Y62-L95 HydrophobicContact CD1-CB 4.33Å; Y62-L95 HydrophobicContact CD2-CD1 4.26Å; Y62-L95 HydrophobicContact CE1-CB 3.88Å; Y62-L95 HydrophobicContact CE2-CB 4.33Å; Y62-L95 HydrophobicContact CE2-CD1 4.43Å; Y62-L95 HydrophobicContact CE2-CG 4.38Å; Y62-L95 HydrophobicContact CG-CD1 4.42Å; Y62-L95 PolarHBondContact OH-N 3.29Å; L93-L95 HydrophobicContact CD1-CD2 4.3Å; L93-L95 HydrophobicContact CD2-CD1 4.13Å; L93-L95 HydrophobicContact CD2-CD2 3.87Å; L93-L95 HydrophobicContact CD2-CG 3.92Å; L93-L95 HydrophobicContact CG-CD2 4.04Å; L93-L95 HydrophobicContact CG-CG 4.05Å; L95-Y102 HydrophobicContact CB-CE2 4.49Å; L95-Y102 HydrophobicContact CD2-CD1 3.95Å; L95-Y102 HydrophobicContact CD2-CD2 4.33Å; L95-Y102 HydrophobicContact CD2-CE1 3.86Å; L95-Y102 HydrophobicContact CD2-CE2 4.25Å; L95-Y102 HydrophobicContact CD2-CG 4.16Å; L95-L104 HydrophobicContact CD1-CD2 3.95Å; L95-L104 HydrophobicContact CD2-CD2 4.4Å; L95-V121 HydrophobicContact CD2-CG1 4.16Å
96	E	97.4	Very high	96.2	Very high	85 Å²	85	44.5 Å²	44.5	40%	0.397	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-88.4	124.1	178	-63.7	-171.3	96.2	0	0	111.4	K99 Y100 Y102	E96-K99 HydrophobicContact CB-CB 4.04Å; E96-K99 HydrophobicContact CB-CD 4.09Å; E96-K99 VanDerWaalsContact CD-CD 3.48Å; E96-K99 HydrophobicContact CG-CD 4.43Å; E96-K99 WeakPolarHBondContact OE1-CD 3.39Å; E96-K99 IonicContact OE1-NZ 3.6Å; E96-K99 PolarHBondContact OE1-NZ 3.34Å; E96-K99 WeakPolarHBondContact OE2-CD 3.36Å; E96-K99 IonicContact OE2-NZ 2.67Å; E96-K99 PolarHBondContact OE2-NZ 3.42Å; E96-Y100 WeakPolarHBondContact OE2-CD2 3.46Å; E96-Y100 WeakPolarHBondContact OE2-CE2 3.41Å; E96-Y102 PolarHBondContact N-OH 3.42Å
97	V	97.9	Very high	96.4	Very high	49 Å²	49	50.6 Å²	50.6	30%	0.297	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	135.6	-178.9	-179.7	0	0	0	0	110.1	V46 V47 K49 K99	V46-V97 HydrophobicContact CG1-CB 4.44Å; V46-V97 HydrophobicContact CG1-CG2 3.94Å; V47-V97 WeakPolarHBondContact O-CG1 3.07Å; K49-V97 HydrophobicContact CB-CG2 4.15Å; K49-V97 HydrophobicContact CD-CG2 3.96Å; K49-V97 HydrophobicContact CG-CG2 3.93Å; V97-K99 PolarHBondContact O-N 2.81Å
98	N	96.6	Very high	96.7	Very high	95 Å²	95	50.1 Å²	50.1	51%	0.508	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	3.1	175.3	-68.7	-39.5	0	0	0	117.5	K45 V46	K45-N98 VanDerWaalsContact CE-C 3.48Å; K45-N98 WeakPolarHBondContact CE-O 3.11Å; K45-N98 PolarHBondContact NZ-O 3.37Å; V46-N98 WeakPolarHBondContact O-CA 3.44Å; V46-N98 PolarHBondContact O-N 2.95Å
99	K	96.7	Very high	96.8	Very high	108 Å²	108	53.4 Å²	53.4	47%	0.47	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-57.5	-173.8	-162.3	179.9	-179	-162.1	0	113.4	E96 V97	E96-K99 HydrophobicContact CB-CB 4.04Å; E96-K99 HydrophobicContact CB-CD 4.09Å; E96-K99 VanDerWaalsContact CD-CD 3.48Å; E96-K99 HydrophobicContact CG-CD 4.43Å; E96-K99 WeakPolarHBondContact OE1-CD 3.39Å; E96-K99 IonicContact OE1-NZ 3.6Å; E96-K99 PolarHBondContact OE1-NZ 3.34Å; E96-K99 WeakPolarHBondContact OE2-CD 3.36Å; E96-K99 IonicContact OE2-NZ 2.67Å; E96-K99 PolarHBondContact OE2-NZ 3.42Å; V97-K99 PolarHBondContact O-N 2.81Å
100	Y	97.6	Very high	96.9	Very high	54 Å²	54	57.7 Å²	57.7	21%	0.212	27%	0.267	C	S	.	.			trans	-118.4	163.8	-173.3	-58.2	-57	0	0	0	113.2	E96 R123	E96-Y100 WeakPolarHBondContact OE2-CD2 3.46Å; E96-Y100 WeakPolarHBondContact OE2-CE2 3.41Å; Y100-R123 HydrophobicContact CD2-CG 4.24Å; Y100-R123 VanDerWaalsContact CE1-CZ 3.4Å; Y100-R123 VanDerWaalsContact CE1-NH2 3.31Å; Y100-R123 HydrophobicContact CG-CG 4.25Å; Y100-R123 VanDerWaalsContact CZ-CZ 3.48Å; Y100-R123 PolarHBondContact OH-NH1 3.45Å
101	Q	98.3	Very high	97.1	Very high	62 Å²	62	57.1 Å²	57.1	29%	0.29	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.4	163.2	-60.4	176	18.1	0	0	107.6	A44 K45 M67 W124	A44-Q101 CarbonylContact O-C 3.6Å; A44-Q101 WeakPolarHBondContact O-CA 3.18Å; K45-Q101 HydrophobicContact CB-CG 4.41Å; M67-Q101 HydrophobicContact SD-CB 4.44Å; M67-Q101 HydrophobicContact SD-CG 3.79Å; M67-Q101 PolarHBondContact SD-OE1 3.02Å; M67-Q101 VanDerWaalsContact SD-OE1 3.39Å; Q101-W124 HydrophobicContact CB-CB 4Å; Q101-W124 WeakPolarHBondContact O-CB 3.25Å; Q101-W124 PolarHBondContact O-N 3.16Å
102	Y	98.7	Very high	97.2	Very high	18 Å²	18	58.9 Å²	58.9	7%	0.071	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.8	-176.1	-63.6	-87.5	0	0	0	110	R43 A44 V46 L95 E96 E122 R123	R43-Y102 CarbonylContact C-O 3.52Å; R43-Y102 VanDerWaalsContact CA-O 3.28Å; R43-Y102 WeakPolarHBondContact CA-O 3.33Å; A44-Y102 PolarHBondContact N-O 2.99Å; A44-Y102 PolarHBondContact O-N 3.48Å; V46-Y102 HydrophobicContact CG2-CD2 4.14Å; V46-Y102 HydrophobicContact CG2-CE2 4.24Å; L95-Y102 HydrophobicContact CB-CE2 4.49Å; L95-Y102 HydrophobicContact CD2-CD1 3.95Å; L95-Y102 HydrophobicContact CD2-CD2 4.33Å; L95-Y102 HydrophobicContact CD2-CE1 3.86Å; L95-Y102 HydrophobicContact CD2-CE2 4.25Å; L95-Y102 HydrophobicContact CD2-CG 4.16Å; E96-Y102 PolarHBondContact N-OH 3.42Å; Y102-E122 CarbonylContact C-O 3.57Å; Y102-E122 WeakPolarHBondContact CA-O 3.36Å; Y102-R123 HydrophobicContact CD1-CG 4.14Å; Y102-R123 HydrophobicContact CE1-CG 3.75Å
103	L	98.6	Very high	97.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.8	151.5	174	70.4	0	0	0	107.4	V41 I42 Y70 F120 V121 E122 L127 L135	V41-L103 HydrophobicContact CG1-CD1 3.77Å; I42-L103 WeakPolarHBondContact O-CA 3.28Å; Y70-L103 HydrophobicContact CD2-CD1 4.46Å; Y70-L103 HydrophobicContact CE2-CD1 4.44Å; L103-F120 HydrophobicContact CD2-CD1 3.6Å; L103-F120 HydrophobicContact CD2-CE1 3.25Å; L103-F120 HydrophobicContact CD2-CG 4.44Å; L103-F120 HydrophobicContact CD2-CZ 3.86Å; L103-V121 WeakPolarHBondContact O-CA 3.4Å; L103-E122 PolarHBondContact N-O 2.94Å; L103-E122 PolarHBondContact O-N 2.81Å; L103-L127 HydrophobicContact CB-CD1 3.87Å; L103-L127 HydrophobicContact CD2-CD1 3.89Å; L103-L127 HydrophobicContact CD2-CD2 4.13Å; L103-L127 HydrophobicContact CG-CD1 4.43Å; L103-L135 HydrophobicContact CD1-CD1 3.71Å; L103-L135 HydrophobicContact CD1-CD2 3.87Å; L103-L135 HydrophobicContact CD1-CG 4.45Å; L103-L135 HydrophobicContact CD2-CD1 3.95Å; L103-L135 HydrophobicContact CD2-CD2 4.04Å; L103-L135 HydrophobicContact CG-CD1 4.41Å
104	L	98.6	Very high	97.3	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.6	-178.8	-60.1	164.4	0	0	0	108	V41 I42 A44 I82 L95 M113 V121	V41-L104 WeakPolarHBondContact CA-O 3.37Å; I42-L104 HydrophobicContact CG1-CB 4.03Å; I42-L104 PolarHBondContact N-O 2.85Å; I42-L104 PolarHBondContact O-N 2.79Å; A44-L104 HydrophobicContact CB-CD1 4.04Å; I82-L104 HydrophobicContact CD1-CB 4.37Å; I82-L104 HydrophobicContact CD1-CD1 3.3Å; I82-L104 HydrophobicContact CD1-CG 4.3Å; L95-L104 HydrophobicContact CD1-CD2 3.95Å; L95-L104 HydrophobicContact CD2-CD2 4.4Å; L104-M113 HydrophobicContact CB-CE 4.27Å; L104-V121 HydrophobicContact CD2-CB 4.43Å; L104-V121 HydrophobicContact CD2-CG1 3.63Å; L104-V121 HydrophobicContact CD2-CG2 4.03Å
105	T	98.6	Very high	97.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.5	172.2	60.7	0	0	0	0	108.8	S38 I40 V41 T115 F120	S38-T105 WeakPolarHBondContact OG-CB 3.4Å; I40-T105 WeakPolarHBondContact O-CA 3.47Å; V41-T105 HydrophobicContact CB-CG2 4.45Å; V41-T105 HydrophobicContact CG1-CG2 3.97Å; V41-T105 HydrophobicContact CG2-CG2 3.99Å; T105-T115 PolarHBondContact O-OG1 2.94Å; T105-F120 HydrophobicContact CG2-CB 4.1Å; T105-F120 HydrophobicContact CG2-CD1 4.37Å; T105-F120 VanDerWaalsContact CG2-O 3.27Å; T105-F120 WeakPolarHBondContact CG2-O 3.09Å; T105-F120 PolarHBondContact N-O 3.04Å; T105-F120 WeakPolarHBondContact OG1-CA 3.21Å; T105-F120 PolarHBondContact OG1-N 3.35Å; T105-F120 PolarHBondContact OG1-O 2.96Å
106	G	97.8	Very high	97.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	173.5	-176.3	0	0	0	0	0	113.9	S38 D39 I40 Y114	S38-G106 WeakPolarHBondContact CB-O 3.36Å; D39-G106 PolarHBondContact N-O 2.85Å; I40-G106 PolarHBondContact N-O 2.94Å; I40-G106 PolarHBondContact O-N 3.24Å; G106-Y114 CarbonylContact C-O 3.58Å; G106-Y114 WeakPolarHBondContact CA-O 3.48Å
107	R	98.1	Very high	97.3	Very high	160 Å²	160	55 Å²	55	60%	0.604	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	154.4	176.1	-68.8	-172.4	177.1	175.5	1.1	110.6	D39 M113 Y114	D39-R107 WeakPolarHBondContact OD2-CA 3.43Å; R107-M113 WeakPolarHBondContact O-CA 3.16Å; R107-Y114 PolarHBondContact N-O 3.17Å; R107-Y114 PolarHBondContact O-N 3.23Å
108	V	98.1	Very high	97.2	Very high	38 Å²	38	55.5 Å²	55.5	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.4	174.4	179	0	0	0	0	108.7	D39 I40 M76 K112	D39-V108 HydrophobicContact CB-CB 4.35Å; D39-V108 HydrophobicContact CB-CG2 3.98Å; D39-V108 PolarHBondContact OD2-N 3.19Å; I40-V108 HydrophobicContact CD1-CG2 4.18Å; I40-V108 HydrophobicContact CG1-CG2 3.47Å; I40-V108 VanDerWaalsContact CG1-CG2 3.47Å; M76-V108 HydrophobicContact CB-CG2 4.4Å; M76-V108 HydrophobicContact CE-CG1 3.91Å; M76-V108 HydrophobicContact CE-CG2 4.18Å; V108-K112 WeakPolarHBondContact CA-O 3.2Å
109	Y	96.1	Very high	97.2	Very high	142 Å²	142	53.5 Å²	53.5	56%	0.557	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.2	174	-178	-97.6	0	0	0	108.4	G111 K112 Y114	Y109-G111 PolarHBondContact O-N 3.15Å; Y109-G111 VanDerWaalsContact O-N 3.13Å; Y109-K112 PolarHBondContact N-O 3.43Å; Y109-K112 WeakPolarHBondContact O-CB 3.05Å; Y109-K112 PolarHBondContact O-N 2.98Å; Y109-Y114 HydrophobicContact CD1-CE2 4.28Å
110	E	94.8	Very high	97.2	Very high	139 Å²	139	50.1 Å²	50.1	65%	0.65	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	42.9	-178.1	-68.5	177.1	-171.3	0	0	114	K112	E110-K112 PolarHBondContact O-N 3.27Å
111	G	95.4	Very high	97.2	Very high	61 Å²	61	48.9 Å²	48.9	63%	0.629	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	11.1	179.4	0	0	0	0	0	114.7	M76 Y109	M76-G111 VanDerWaalsContact CE-C 3.45Å; M76-G111 WeakPolarHBondContact CE-O 3.27Å; Y109-G111 PolarHBondContact O-N 3.15Å; Y109-G111 VanDerWaalsContact O-N 3.13Å
112	K	96.5	Very high	97.1	Very high	74 Å²	74	49.5 Å²	49.5	32%	0.322	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.7	177.3	-66.4	172	-175.9	173.5	0	110.1	V108 Y109 E110 Y114	V108-K112 WeakPolarHBondContact CA-O 3.2Å; Y109-K112 PolarHBondContact N-O 3.43Å; Y109-K112 WeakPolarHBondContact O-CB 3.05Å; Y109-K112 PolarHBondContact O-N 2.98Å; E110-K112 PolarHBondContact O-N 3.27Å; K112-Y114 HydrophobicContact CB-CD2 4.2Å; K112-Y114 HydrophobicContact CB-CE2 3.57Å; K112-Y114 HydrophobicContact CD-CE2 4.38Å; K112-Y114 WeakPolarHBondContact O-CD2 3.08Å
113	M	97.4	Very high	97.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.1	171.2	-179.5	-176.5	178	0	0	109.4	I40 I42 M76 V79 I82 H83 L104 R107	I40-M113 HydrophobicContact CB-CE 4.11Å; I40-M113 HydrophobicContact CB-CG 4.49Å; I40-M113 HydrophobicContact CB-SD 4.16Å; I40-M113 HydrophobicContact CG2-CE 3.71Å; I40-M113 HydrophobicContact CG2-SD 3.59Å; I40-M113 VanDerWaalsContact CG2-SD 3.59Å; I42-M113 HydrophobicContact CD1-SD 4.19Å; I42-M113 HydrophobicContact CG1-CE 4.5Å; M76-M113 HydrophobicContact SD-CB 4.29Å; V79-M113 HydrophobicContact CG1-CB 4.21Å; V79-M113 HydrophobicContact CG1-SD 3.66Å; V79-M113 HydrophobicContact CG2-SD 4.16Å; I82-M113 HydrophobicContact CD1-SD 4.22Å; I82-M113 HydrophobicContact CG1-SD 3.92Å; H83-M113 PolarHBondContact N-O 3.26Å; H83-M113 PolarHBondContact ND1-O 3.2Å; H83-M113 VanDerWaalsContact ND1-O 3.15Å; L104-M113 HydrophobicContact CB-CE 4.27Å; R107-M113 WeakPolarHBondContact O-CA 3.16Å
114	Y	97.8	Very high	97	Very high	63 Å²	63	53 Å²	53	25%	0.247	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.1	173.2	-69.9	-95.2	0	0	0	111.2	H83 G106 R107 Y109 K112	H83-Y114 HydrophobicContact CB-CD1 3.51Å; H83-Y114 HydrophobicContact CB-CE1 3.47Å; H83-Y114 VanDerWaalsContact CB-CE1 3.47Å; H83-Y114 HydrophobicContact CB-CG 4.1Å; H83-Y114 VanDerWaalsContact O-CA 3.29Å; H83-Y114 WeakPolarHBondContact O-CA 3.43Å; G106-Y114 CarbonylContact C-O 3.58Å; G106-Y114 WeakPolarHBondContact CA-O 3.48Å; R107-Y114 PolarHBondContact N-O 3.17Å; R107-Y114 PolarHBondContact O-N 3.23Å; Y109-Y114 HydrophobicContact CD1-CE2 4.28Å; K112-Y114 HydrophobicContact CB-CD2 4.2Å; K112-Y114 HydrophobicContact CB-CE2 3.57Å; K112-Y114 HydrophobicContact CD-CE2 4.38Å; K112-Y114 WeakPolarHBondContact O-CD2 3.08Å
115	T	97.9	Very high	97	Very high	10 Å²	10	56.9 Å²	56.9	6%	0.061	28%	0.282	C	S	.	.			trans	-138.6	163.9	172.6	-168.9	0	0	0	0	109.1	I82 H83 T84 L93 T105 N119 V121	I82-T115 HydrophobicContact CG2-CG2 3.33Å; H83-T115 PolarHBondContact O-N 3.45Å; T84-T115 WeakPolarHBondContact CB-O 3.29Å; T84-T115 PolarHBondContact OG1-O 2.05Å; L93-T115 HydrophobicContact CD2-CG2 3.65Å; T105-T115 PolarHBondContact O-OG1 2.94Å; T115-N119 WeakPolarHBondContact CA-OD1 3.4Å; T115-V121 WeakPolarHBondContact OG1-CG2 3.43Å
116	G	96.6	Very high	96.9	Very high	8 Å²	8	62.2 Å²	62.2	8%	0.082	31%	0.307	C	S	.	.			trans	-157.2	-168.8	171.8	0	0	0	0	0	111.9	C91 C118 N119	C91-G116 CarbonylContact O-C 3.55Å; C91-G116 WeakPolarHBondContact O-CA 3.46Å; G116-C118 PolarHBondContact O-N 3.2Å; G116-N119 PolarHBondContact N-OD1 2.84Å; G116-N119 PolarHBondContact O-N 3.42Å
117	L	96.1	Very high	96.8	Very high	72 Å²	72	62.5 Å²	62.5	38%	0.377	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.4	179.6	-65.9	178.1	0	0	0	113.5	E88 C91 G92 L93 N119	E88-L117 HydrophobicContact CB-CD1 4.32Å; E88-L117 HydrophobicContact CG-CD1 4.38Å; C91-L117 HydrophobicContact CB-CB 4.48Å; C91-L117 PolarHBondContact O-N 2.87Å; G92-L117 WeakPolarHBondContact O-CG 3.27Å; L93-L117 HydrophobicContact CB-CD2 4.49Å; L93-L117 HydrophobicContact CD1-CD2 4.01Å; L117-N119 VanDerWaalsContact C-N 3.31Å; L117-N119 PolarHBondContact O-N 2.82Å
118	C	94.6	Very high	96.6	Very high	61 Å²	61	56.3 Å²	56.3	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4	-179.4	-54.9	0	0	0	0	114.2	C26 G116	C26-C118 VanDerWaalsContact CA-SG 3.54Å; C26-C118 HydrophobicContact CB-CB 3.6Å; C26-C118 WeakPolarHBondContact CB-SG 3.43Å; C26-C118 WeakPolarHBondContact SG-CA 3.42Å; C26-C118 WeakPolarHBondContact SG-CB 3.37Å; C26-C118 PolarHBondContact SG-N 3.14Å; C26-C118 VanDerWaalsContact SG-N 3.41Å; C26-C118 CovalentContact SG-SG 2.04Å; C26-C118 PolarHBondContact SG-SG 3.25Å; G116-C118 PolarHBondContact O-N 3.2Å
119	N	96.9	Very high	96.4	Very high	52 Å²	52	59.6 Å²	59.6	28%	0.278	30%	0.304	S	S	.	.	S	Bend	trans	-83.8	158.5	174.3	-69.1	103.1	0	0	0	110.6	T115 G116 L117 V121	T115-N119 WeakPolarHBondContact CA-OD1 3.4Å; G116-N119 PolarHBondContact N-OD1 2.84Å; G116-N119 PolarHBondContact O-N 3.42Å; L117-N119 VanDerWaalsContact C-N 3.31Å; L117-N119 PolarHBondContact O-N 2.82Å; N119-V121 VanDerWaalsContact C-N 3.32Å; N119-V121 HydrophobicContact CB-CG2 4.15Å; N119-V121 PolarHBondContact O-N 2.64Å
120	F	96.4	Very high	96.3	Very high	37 Å²	37	53.6 Å²	53.6	16%	0.162	28%	0.283	C	S	.	.			trans	-75.3	92.4	170	-177.8	-138.7	0	0	0	109.1	P31 A34 L103 T105 E122 L127	P31-F120 HydrophobicContact CB-CD1 4.1Å; P31-F120 HydrophobicContact CB-CE1 3.61Å; P31-F120 HydrophobicContact CB-CZ 3.86Å; P31-F120 HydrophobicContact CG-CE1 4.23Å; P31-F120 HydrophobicContact CG-CE2 4.27Å; P31-F120 HydrophobicContact CG-CZ 3.96Å; A34-F120 HydrophobicContact CB-CB 3.36Å; A34-F120 HydrophobicContact CB-CD1 4.41Å; A34-F120 HydrophobicContact CB-CG 4.21Å; L103-F120 HydrophobicContact CD2-CD1 3.6Å; L103-F120 HydrophobicContact CD2-CE1 3.25Å; L103-F120 HydrophobicContact CD2-CG 4.44Å; L103-F120 HydrophobicContact CD2-CZ 3.86Å; T105-F120 HydrophobicContact CG2-CB 4.1Å; T105-F120 HydrophobicContact CG2-CD1 4.37Å; T105-F120 VanDerWaalsContact CG2-O 3.27Å; T105-F120 WeakPolarHBondContact CG2-O 3.09Å; T105-F120 PolarHBondContact N-O 3.04Å; T105-F120 WeakPolarHBondContact OG1-CA 3.21Å; T105-F120 PolarHBondContact OG1-N 3.35Å; T105-F120 PolarHBondContact OG1-O 2.96Å; F120-E122 HydrophobicContact CE2-CB 4.29Å; F120-L127 HydrophobicContact CE1-CD2 4.42Å; F120-L127 HydrophobicContact CE2-CD2 4.37Å; F120-L127 HydrophobicContact CZ-CD2 3.66Å
121	V	97.3	Very high	96.3	Very high	29 Å²	29	47.5 Å²	47.5	18%	0.176	26%	0.255	C	S	.	.			trans	-119.3	125.6	175.2	174.2	0	0	0	0	108.2	L93 L95 L103 L104 T115 N119	L93-V121 HydrophobicContact CD1-CG1 4.33Å; L93-V121 HydrophobicContact CD2-CB 4.35Å; L93-V121 HydrophobicContact CD2-CG1 4.02Å; L93-V121 HydrophobicContact CD2-CG2 3.96Å; L95-V121 HydrophobicContact CD2-CG1 4.16Å; L103-V121 WeakPolarHBondContact O-CA 3.4Å; L104-V121 HydrophobicContact CD2-CB 4.43Å; L104-V121 HydrophobicContact CD2-CG1 3.63Å; L104-V121 HydrophobicContact CD2-CG2 4.03Å; T115-V121 WeakPolarHBondContact OG1-CG2 3.43Å; N119-V121 VanDerWaalsContact C-N 3.32Å; N119-V121 HydrophobicContact CB-CG2 4.15Å; N119-V121 PolarHBondContact O-N 2.64Å
122	E	97.1	Very high	96.4	Very high	75 Å²	75	48.3 Å²	48.3	35%	0.35	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151	-178.2	-173.2	53.6	-87.3	0	0	110.1	Y102 L103 F120 W124 Q126 L127	Y102-E122 CarbonylContact C-O 3.57Å; Y102-E122 WeakPolarHBondContact CA-O 3.36Å; L103-E122 PolarHBondContact N-O 2.94Å; L103-E122 PolarHBondContact O-N 2.81Å; F120-E122 HydrophobicContact CE2-CB 4.29Å; E122-W124 PolarHBondContact O-N 2.93Å; E122-Q126 HydrophobicContact CG-CB 4.04Å; E122-L127 HydrophobicContact CB-CD2 4Å; E122-L127 HydrophobicContact CG-CD2 3.96Å; E122-L127 HydrophobicContact CG-CG 4.38Å
123	R	98	Very high	96.2	Very high	64 Å²	64	48.1 Å²	48.1	24%	0.242	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	135.1	170	-67.2	170.2	48	175.4	-1.1	109.7	Y100 Y102 D125 Q126 L127	Y100-R123 HydrophobicContact CD2-CG 4.24Å; Y100-R123 VanDerWaalsContact CE1-CZ 3.4Å; Y100-R123 VanDerWaalsContact CE1-NH2 3.31Å; Y100-R123 HydrophobicContact CG-CG 4.25Å; Y100-R123 VanDerWaalsContact CZ-CZ 3.48Å; Y100-R123 PolarHBondContact OH-NH1 3.45Å; Y102-R123 HydrophobicContact CD1-CG 4.14Å; Y102-R123 HydrophobicContact CE1-CG 3.75Å; R123-D125 WeakPolarHBondContact CB-OD1 3.31Å; R123-D125 IonicContact CZ-OD1 3.04Å; R123-D125 IonicContact CZ-OD2 2.89Å; R123-D125 IonicContact NE-OD1 2.79Å; R123-D125 PolarHBondContact NE-OD1 3.28Å; R123-D125 IonicContact NE-OD2 3.42Å; R123-D125 IonicContact NH2-OD1 2.79Å; R123-D125 PolarHBondContact NH2-OD1 2.9Å; R123-D125 IonicContact NH2-OD2 3.61Å; R123-D125 PolarHBondContact NH2-OD2 3.06Å; R123-D125 PolarHBondContact O-N 2.93Å; R123-D125 VanDerWaalsContact O-N 3.16Å; R123-Q126 HydrophobicContact CB-CB 4.36Å; R123-Q126 HydrophobicContact CB-CG 3.94Å; R123-Q126 PolarHBondContact O-N 3.2Å; R123-L127 PolarHBondContact O-N 3.35Å
124	W	98	Very high	96.1	Very high	27 Å²	27	48.1 Å²	48.1	10%	0.102	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-57.9	-36.4	-176.2	-177.7	-96.5	0	0	0	112.7	R43 Y70 Q101 E122 Q126 L127 R132 L135	R43-W124 HydrophobicContact CB-CE3 4.16Å; R43-W124 HydrophobicContact CB-CZ3 4.28Å; R43-W124 HydrophobicContact CG-CD2 4.06Å; R43-W124 HydrophobicContact CG-CE3 3.82Å; R43-W124 HydrophobicContact CG-CG 4.46Å; R43-W124 HydrophobicContact CG-CZ3 4.36Å; R43-W124 VanDerWaalsContact CZ-CE2 3.43Å; R43-W124 VanDerWaalsContact NH2-CD1 3.28Å; Y70-W124 HydrophobicContact CE2-CH2 4.46Å; Y70-W124 HydrophobicContact CE2-CZ3 4.14Å; Y70-W124 AromaticContact CZ-CH2 3.84Å; Y70-W124 AromaticContact CZ-CZ3 3.98Å; Y70-W124 WeakPolarHBondContact OH-CH2 3.39Å; Y70-W124 VanDerWaalsContact OH-CZ3 3.3Å; Y70-W124 WeakPolarHBondContact OH-CZ3 3.37Å; Q101-W124 HydrophobicContact CB-CB 4Å; Q101-W124 WeakPolarHBondContact O-CB 3.25Å; Q101-W124 PolarHBondContact O-N 3.16Å; E122-W124 PolarHBondContact O-N 2.93Å; W124-Q126 VanDerWaalsContact C-N 3.3Å; W124-Q126 PolarHBondContact O-N 3.48Å; W124-L127 HydrophobicContact CD2-CD1 4.34Å; W124-L127 HydrophobicContact CE3-CD1 3.63Å; W124-L127 HydrophobicContact CZ3-CD1 3.77Å; W124-L127 PolarHBondContact O-N 2.73Å; W124-R132 HydrophobicContact CH2-CB 4.35Å; W124-R132 HydrophobicContact CH2-CG 3.91Å; W124-R132 HydrophobicContact CZ2-CB 4.41Å; W124-R132 HydrophobicContact CZ2-CG 3.82Å; W124-R132 PolarHBondContact O-NE 3.17Å; W124-R132 PolarHBondContact O-NH2 2.62Å; W124-L135 HydrophobicContact CH2-CD1 4.16Å; W124-L135 HydrophobicContact CZ3-CD1 3.78Å
125	D	96.9	Very high	96.1	Very high	81 Å²	81	45.2 Å²	45.2	43%	0.433	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-71	-22.5	179.3	64.3	-27.8	0	0	0	113.6	R123 R132	R123-D125 WeakPolarHBondContact CB-OD1 3.31Å; R123-D125 IonicContact CZ-OD1 3.04Å; R123-D125 IonicContact CZ-OD2 2.89Å; R123-D125 IonicContact NE-OD1 2.79Å; R123-D125 PolarHBondContact NE-OD1 3.28Å; R123-D125 IonicContact NE-OD2 3.42Å; R123-D125 IonicContact NH2-OD1 2.79Å; R123-D125 PolarHBondContact NH2-OD1 2.9Å; R123-D125 IonicContact NH2-OD2 3.61Å; R123-D125 PolarHBondContact NH2-OD2 3.06Å; R123-D125 PolarHBondContact O-N 2.93Å; R123-D125 VanDerWaalsContact O-N 3.16Å; D125-R132 PolarHBondContact O-NH2 3.04Å
126	Q	96.6	Very high	95.9	Very high	112 Å²	112	48.7 Å²	48.7	52%	0.523	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-84.4	-16.3	176.6	-61.2	-56.9	-47.6	0	0	113.7	E122 R123 W124 T128	E122-Q126 HydrophobicContact CG-CB 4.04Å; R123-Q126 HydrophobicContact CB-CB 4.36Å; R123-Q126 HydrophobicContact CB-CG 3.94Å; R123-Q126 PolarHBondContact O-N 3.2Å; W124-Q126 VanDerWaalsContact C-N 3.3Å; W124-Q126 PolarHBondContact O-N 3.48Å; Q126-T128 PolarHBondContact O-N 2.76Å
127	L	96.1	Very high	95.5	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.037	26%	0.26	C	S	.	.	S	Bend	trans	-67.7	133.5	175.7	-65.6	175.5	0	0	0	111.9	L103 F120 E122 R123 W124 Q131 R132 L135	L103-L127 HydrophobicContact CB-CD1 3.87Å; L103-L127 HydrophobicContact CD2-CD1 3.89Å; L103-L127 HydrophobicContact CD2-CD2 4.13Å; L103-L127 HydrophobicContact CG-CD1 4.43Å; F120-L127 HydrophobicContact CE1-CD2 4.42Å; F120-L127 HydrophobicContact CE2-CD2 4.37Å; F120-L127 HydrophobicContact CZ-CD2 3.66Å; E122-L127 HydrophobicContact CB-CD2 4Å; E122-L127 HydrophobicContact CG-CD2 3.96Å; E122-L127 HydrophobicContact CG-CG 4.38Å; R123-L127 PolarHBondContact O-N 3.35Å; W124-L127 HydrophobicContact CD2-CD1 4.34Å; W124-L127 HydrophobicContact CE3-CD1 3.63Å; W124-L127 HydrophobicContact CZ3-CD1 3.77Å; W124-L127 PolarHBondContact O-N 2.73Å; L127-Q131 HydrophobicContact CB-CB 4.47Å; L127-Q131 HydrophobicContact CD2-CB 4.39Å; L127-R132 HydrophobicContact CB-CG 3.9Å; L127-R132 HydrophobicContact CD1-CG 4.45Å; L127-R132 PolarHBondContact O-NE 3.37Å; L127-R132 PolarHBondContact O-NH2 3.41Å; L127-L135 HydrophobicContact CD1-CD1 4.1Å
128	T	94.7	Very high	95.4	Very high	30 Å²	30	50.2 Å²	50.2	18%	0.184	24%	0.244	C	C	.	.			trans	-66.5	160.1	174.9	77.3	0	0	0	0	111.6	Q126 S130 Q131 R132 K180	Q126-T128 PolarHBondContact O-N 2.76Å; T128-S130 PolarHBondContact O-N 3.11Å; T128-S130 PolarHBondContact OG1-N 2.79Å; T128-Q131 PolarHBondContact O-N 2.79Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.42Å; T128-Q131 PolarHBondContact OG1-N 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.04Å; T128-R132 PolarHBondContact O-N 2.85Å; T128-K180 HydrophobicContact CG2-CB 3.96Å; T128-K180 HydrophobicContact CG2-CG 4.12Å; T128-K180 PolarHBondContact OG1-O 3.27Å
129	L	93.1	Very high	95.5	Very high	106 Å²	106	47.4 Å²	47.4	56%	0.555	23%	0.225	S	C	*	.	H	α-helix	trans	-57.3	-38.6	173.2	-177	63.6	0	0	0	112	R132 K133	L129-R132 PolarHBondContact O-N 3.47Å; L129-K133 HydrophobicContact CG-CD 4.41Å; L129-K133 WeakPolarHBondContact O-CB 3.35Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 3.49Å
130	S	93.5	Very high	95.4	Very high	16 Å²	16	50.9 Å²	50.9	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-44.2	177.1	-76.5	0	0	0	0	111.8	T128 K133 G134 H181	T128-S130 PolarHBondContact O-N 3.11Å; T128-S130 PolarHBondContact OG1-N 2.79Å; S130-K133 PolarHBondContact O-N 3.08Å; S130-G134 PolarHBondContact O-N 3.2Å; S130-H181 WeakPolarHBondContact CB-O 3.09Å; S130-H181 PolarHBondContact OG-O 2.81Å
131	Q	96.2	Very high	95.2	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-46.2	176.9	-72.7	170.4	-30.3	0	0	111.4	L127 T128 K133 G134 L135 S179	L127-Q131 HydrophobicContact CB-CB 4.47Å; L127-Q131 HydrophobicContact CD2-CB 4.39Å; T128-Q131 PolarHBondContact O-N 2.79Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.42Å; T128-Q131 PolarHBondContact OG1-N 3.32Å; Q131-K133 VanDerWaalsContact C-N 3.32Å; Q131-K133 PolarHBondContact O-N 3.19Å; Q131-G134 WeakPolarHBondContact O-CA 3Å; Q131-G134 PolarHBondContact O-N 2.97Å; Q131-L135 WeakPolarHBondContact O-CG 3.5Å; Q131-L135 PolarHBondContact O-N 3.43Å; Q131-S179 PolarHBondContact NE2-O 2.7Å
132	R	95.9	Very high	95.2	Very high	77 Å²	77	52.9 Å²	52.9	29%	0.291	25%	0.25	S	C	.	.	H	α-helix	trans	-59.6	-41.6	175.9	-66.5	-179.5	-169.8	171.8	9.7	112	W124 D125 L127 T128 L129 G134 N136	W124-R132 HydrophobicContact CH2-CB 4.35Å; W124-R132 HydrophobicContact CH2-CG 3.91Å; W124-R132 HydrophobicContact CZ2-CB 4.41Å; W124-R132 HydrophobicContact CZ2-CG 3.82Å; W124-R132 PolarHBondContact O-NE 3.17Å; W124-R132 PolarHBondContact O-NH2 2.62Å; D125-R132 PolarHBondContact O-NH2 3.04Å; L127-R132 HydrophobicContact CB-CG 3.9Å; L127-R132 HydrophobicContact CD1-CG 4.45Å; L127-R132 PolarHBondContact O-NE 3.37Å; L127-R132 PolarHBondContact O-NH2 3.41Å; T128-R132 WeakPolarHBondContact O-CG 3.04Å; T128-R132 PolarHBondContact O-N 2.85Å; L129-R132 PolarHBondContact O-N 3.47Å; R132-G134 VanDerWaalsContact C-N 3.34Å; R132-N136 PolarHBondContact O-ND2 2.87Å
133	K	93.3	Very high	95.2	Very high	70 Å²	70	51.2 Å²	51.2	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-37.7	172.7	-74.1	-179.4	179.5	-177.6	0	111.5	L129 S130 Q131 N136 Y137	L129-K133 HydrophobicContact CG-CD 4.41Å; L129-K133 WeakPolarHBondContact O-CB 3.35Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 3.49Å; S130-K133 PolarHBondContact O-N 3.08Å; Q131-K133 VanDerWaalsContact C-N 3.32Å; Q131-K133 PolarHBondContact O-N 3.19Å; K133-N136 PolarHBondContact O-N 3.39Å; K133-Y137 HydrophobicContact CB-CE1 4.13Å; K133-Y137 WeakPolarHBondContact O-CD1 3.43Å; K133-Y137 WeakPolarHBondContact O-CE1 3.23Å; K133-Y137 PolarHBondContact O-N 2.99Å
134	G	95.5	Very high	95	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.01	27%	0.27	C	S	.	.	I	π-helix	trans	-55.5	-51.3	175.8	0	0	0	0	0	112.5	S130 Q131 R132 N136 Y137 R138 Y139	S130-G134 PolarHBondContact O-N 3.2Å; Q131-G134 WeakPolarHBondContact O-CA 3Å; Q131-G134 PolarHBondContact O-N 2.97Å; R132-G134 VanDerWaalsContact C-N 3.34Å; G134-N136 PolarHBondContact O-N 2.03Å; G134-Y137 PolarHBondContact O-N 2.76Å; G134-R138 PolarHBondContact O-N 3.33Å; G134-R138 VanDerWaalsContact O-N 3.09Å; G134-Y139 PolarHBondContact O-N 2.81Å
135	L	97.1	Very high	95	Very high	3 Å²	3	54 Å²	54	2%	0.016	27%	0.268	C	S	.	.	I	π-helix	trans	-56.8	-34.8	177.9	-66.7	170.2	0	0	0	113.5	F35 V41 Y70 L103 W124 L127 Q131 Y139	F35-L135 HydrophobicContact CD2-CD2 3.92Å; F35-L135 HydrophobicContact CE2-CD2 4.47Å; V41-L135 HydrophobicContact CG1-CD2 4.04Å; Y70-L135 HydrophobicContact CD1-CB 3.83Å; Y70-L135 WeakPolarHBondContact CD1-O 3.28Å; Y70-L135 HydrophobicContact CE1-CB 4Å; Y70-L135 HydrophobicContact CE2-CD1 4.4Å; Y70-L135 HydrophobicContact CG-CB 4.12Å; L103-L135 HydrophobicContact CD1-CD1 3.71Å; L103-L135 HydrophobicContact CD1-CD2 3.87Å; L103-L135 HydrophobicContact CD1-CG 4.45Å; L103-L135 HydrophobicContact CD2-CD1 3.95Å; L103-L135 HydrophobicContact CD2-CD2 4.04Å; L103-L135 HydrophobicContact CG-CD1 4.41Å; W124-L135 HydrophobicContact CH2-CD1 4.16Å; W124-L135 HydrophobicContact CZ3-CD1 3.78Å; L127-L135 HydrophobicContact CD1-CD1 4.1Å; Q131-L135 WeakPolarHBondContact O-CG 3.5Å; Q131-L135 PolarHBondContact O-N 3.43Å; L135-Y139 HydrophobicContact CD2-CD2 4.17Å; L135-Y139 HydrophobicContact CD2-CE2 4.26Å; L135-Y139 HydrophobicContact CG-CD2 4.43Å; L135-Y139 HydrophobicContact CG-CE2 4.31Å
136	N	93.9	Very high	95	Very high	82 Å²	82	55.4 Å²	55.4	44%	0.439	27%	0.271	S	S	.	.	I	π-helix	trans	-76.1	-31	-176.8	-77.7	-70.6	0	0	0	113.3	K68 R132 K133 G134	K68-N136 WeakPolarHBondContact CE-OD1 3.3Å; K68-N136 PolarHBondContact NZ-OD1 3.03Å; R132-N136 PolarHBondContact O-ND2 2.87Å; K133-N136 PolarHBondContact O-N 3.39Å; G134-N136 PolarHBondContact O-N 2.03Å
137	Y	88.7	Confident	95	Very high	103 Å²	103	50.7 Å²	50.7	40%	0.404	25%	0.249	S	C	.	.	I	π-helix	trans	-155.9	-46.3	-175.3	69.7	-82.5	0	0	0	114.8	K133 G134 Y139 H140 L141	K133-Y137 HydrophobicContact CB-CE1 4.13Å; K133-Y137 WeakPolarHBondContact O-CD1 3.43Å; K133-Y137 WeakPolarHBondContact O-CE1 3.23Å; K133-Y137 PolarHBondContact O-N 2.99Å; G134-Y137 PolarHBondContact O-N 2.76Å; Y137-Y139 PolarHBondContact O-N 3.21Å; Y137-H140 PolarHBondContact O-N 3.49Å; Y137-L141 HydrophobicContact CD2-CD1 4.13Å; Y137-L141 WeakPolarHBondContact O-CG 3.49Å; Y137-L141 PolarHBondContact O-N 2.79Å; Y137-L141 VanDerWaalsContact O-N 3.15Å
138	R	92.9	Very high	95	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.038	26%	0.259	C	S	.	.	I	π-helix	trans	-67.4	-39.6	-166.9	-55.4	177.2	174.2	138.4	-9.8	113	G134 H140 L141 G142 A183 I185 G197	G134-R138 PolarHBondContact O-N 3.33Å; G134-R138 VanDerWaalsContact O-N 3.09Å; R138-H140 VanDerWaalsContact C-N 3.28Å; R138-H140 PolarHBondContact O-N 3.46Å; R138-L141 PolarHBondContact O-N 2.87Å; R138-G142 PolarHBondContact O-N 3.1Å; R138-A183 HydrophobicContact CB-CB 3.93Å; R138-I185 HydrophobicContact CB-CG2 4.44Å; R138-G197 PolarHBondContact NH1-O 3.02Å; R138-G197 VanDerWaalsContact NH1-O 3.11Å; R138-G197 VanDerWaalsContact NH2-C 3.33Å; R138-G197 VanDerWaalsContact NH2-CA 3.34Å; R138-G197 PolarHBondContact NH2-O 3.1Å
139	Y	97.1	Very high	94.9	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-38.5	179.9	-64.4	-28.2	0	0	0	111.1	P31 Q32 F35 C36 G134 L135 Y137 G142 C143 A183	P31-Y139 HydrophobicContact CB-CE2 4.26Å; Q32-Y139 HydrophobicContact CB-CD1 3.45Å; Q32-Y139 VanDerWaalsContact CB-CD1 3.45Å; Q32-Y139 HydrophobicContact CB-CE1 3.77Å; Q32-Y139 HydrophobicContact CB-CG 4.07Å; Q32-Y139 HydrophobicContact CG-CD1 3.66Å; Q32-Y139 HydrophobicContact CG-CE1 4.44Å; Q32-Y139 HydrophobicContact CG-CG 4.14Å; F35-Y139 HydrophobicContact CB-CD2 4.11Å; F35-Y139 HydrophobicContact CB-CG 4.39Å; F35-Y139 HydrophobicContact CD2-CD2 4.31Å; F35-Y139 HydrophobicContact CG-CD2 4.21Å; F35-Y139 HydrophobicContact CG-CG 4.41Å; C36-Y139 PolarHBondContact SG-O 3.37Å; G134-Y139 PolarHBondContact O-N 2.81Å; L135-Y139 HydrophobicContact CD2-CD2 4.17Å; L135-Y139 HydrophobicContact CD2-CE2 4.26Å; L135-Y139 HydrophobicContact CG-CD2 4.43Å; L135-Y139 HydrophobicContact CG-CE2 4.31Å; Y137-Y139 PolarHBondContact O-N 3.21Å; Y139-G142 CarbonylContact O-C 3.58Å; Y139-G142 PolarHBondContact O-N 3.01Å; Y139-C143 PolarHBondContact O-N 2.04Å; Y139-C143 PolarHBondContact O-SG 3.06Å; Y139-A183 HydrophobicContact CD1-CB 4.06Å; Y139-A183 HydrophobicContact CE1-CB 4.01Å
140	H	95.1	Very high	94.9	Very high	125 Å²	125	48.4 Å²	48.4	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-61.6	-47.2	173.9	-175.4	76.7	0	0	0	112.3	F35 Y137 R138 G142 C143	F35-H140 HydrophobicContact CE1-CB 4.04Å; F35-H140 HydrophobicContact CZ-CB 4.36Å; Y137-H140 PolarHBondContact O-N 3.49Å; R138-H140 VanDerWaalsContact C-N 3.28Å; R138-H140 PolarHBondContact O-N 3.46Å; H140-G142 PolarHBondContact O-N 3Å; H140-C143 PolarHBondContact O-N 3.41Å
141	L	93.2	Very high	94.7	Very high	107 Å²	107	52.3 Å²	52.3	56%	0.56	25%	0.249	S	C	*	.	H	α-helix	trans	-60.4	-29.5	176.1	-64.9	175.4	0	0	0	112.8	Y137 R138	Y137-L141 HydrophobicContact CD2-CD1 4.13Å; Y137-L141 WeakPolarHBondContact O-CG 3.49Å; Y137-L141 PolarHBondContact O-N 2.79Å; Y137-L141 VanDerWaalsContact O-N 3.15Å; R138-L141 PolarHBondContact O-N 2.87Å
142	G	95.9	Very high	94.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-88.8	-4	-178.4	0	0	0	0	0	115.3	Q32 R138 Y139 H140 N144 C145 C184	Q32-G142 VanDerWaalsContact NE2-C 3.29Å; Q32-G142 VanDerWaalsContact NE2-CA 3.35Å; Q32-G142 PolarHBondContact NE2-O 3.47Å; R138-G142 PolarHBondContact O-N 3.1Å; Y139-G142 CarbonylContact O-C 3.58Å; Y139-G142 PolarHBondContact O-N 3.01Å; H140-G142 PolarHBondContact O-N 3Å; G142-N144 PolarHBondContact O-N 2.88Å; G142-N144 VanDerWaalsContact O-N 3.08Å; G142-C145 WeakPolarHBondContact O-CA 3.04Å; G142-C145 WeakPolarHBondContact O-CB 3.19Å; G142-C145 PolarHBondContact O-N 3.16Å; G142-C184 WeakPolarHBondContact CA-O 3.2Å
143	C	96.6	Very high	94.2	Very high	40 Å²	40	63 Å²	63	27%	0.27	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.1	-175.8	-68.4	0	0	0	0	114.6	C36 Y139 H140 C145	C36-C143 HydrophobicContact CB-CB 3.83Å; C36-C143 WeakPolarHBondContact CB-SG 3.25Å; C36-C143 WeakPolarHBondContact SG-CA 3.02Å; C36-C143 WeakPolarHBondContact SG-CB 3.32Å; C36-C143 CovalentContact SG-SG 2.05Å; C36-C143 PolarHBondContact SG-SG 2.03Å; Y139-C143 PolarHBondContact O-N 2.04Å; Y139-C143 PolarHBondContact O-SG 3.06Å; H140-C143 PolarHBondContact O-N 3.41Å; C143-C145 VanDerWaalsContact C-N 3.35Å
144	N	95.3	Very high	94.2	Very high	142 Å²	142	64.3 Å²	64.3	76%	0.759	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.6	172.7	-67.1	-27.9	0	0	0	113.2	G142	G142-N144 PolarHBondContact O-N 2.88Å; G142-N144 VanDerWaalsContact O-N 3.08Å
145	C	97.1	Very high	94	Very high	8 Å²	8	65.6 Å²	65.6	5%	0.054	32%	0.323	C	S	.	.	S	Bend	trans	-97.3	139.5	173.6	-62.9	0	0	0	0	109.9	G142 C143 N161 C184 I185 R186 C192	G142-C145 WeakPolarHBondContact O-CA 3.04Å; G142-C145 WeakPolarHBondContact O-CB 3.19Å; G142-C145 PolarHBondContact O-N 3.16Å; C143-C145 VanDerWaalsContact C-N 3.35Å; C145-N161 CarbonylContact C-O 3.58Å; C145-N161 WeakPolarHBondContact CA-O 3.03Å; C145-C184 HydrophobicContact CB-CB 4.41Å; C145-C184 WeakPolarHBondContact CB-SG 3.07Å; C145-I185 VanDerWaalsContact SG-C 3.54Å; C145-R186 PolarHBondContact SG-N 3.05Å; C145-R186 VanDerWaalsContact SG-N 3.39Å; C145-C192 VanDerWaalsContact CA-SG 3.54Å; C145-C192 HydrophobicContact CB-CB 3.63Å; C145-C192 WeakPolarHBondContact CB-SG 3Å; C145-C192 WeakPolarHBondContact SG-CB 3.33Å; C145-C192 CovalentContact SG-SG 2.03Å; C145-C192 PolarHBondContact SG-SG 3.25Å
146	K	97.3	Very high	93.9	Very high	111 Å²	111	72.3 Å²	72.3	48%	0.483	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.4	179.4	177.8	179.3	170.5	-154	0	110	N161 E162 C163	K146-N161 PolarHBondContact N-O 3.14Å; K146-E162 HydrophobicContact CB-CG 4.02Å; K146-E162 HydrophobicContact CD-CG 4.06Å; K146-E162 WeakPolarHBondContact CD-OE1 3.4Å; K146-E162 HydrophobicContact CG-CG 4.23Å; K146-E162 IonicContact NZ-OE1 2.84Å; K146-E162 PolarHBondContact NZ-OE1 3.08Å; K146-E162 CarbonylContact O-C 3.52Å; K146-E162 WeakPolarHBondContact O-CA 3.39Å; K146-C163 PolarHBondContact O-N 3.32Å
147	I	96.8	Very high	93.8	Very high	12 Å²	12	72 Å²	72	6%	0.062	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.2	172.1	-60.6	176.6	0	0	0	107.6	H30 Q32 D33 W165 C184 W194	H30-I147 HydrophobicContact CB-CD1 3.95Å; H30-I147 HydrophobicContact CB-CG2 4.18Å; H30-I147 VanDerWaalsContact ND1-CD1 3.32Å; H30-I147 WeakPolarHBondContact ND1-CD1 3.35Å; Q32-I147 HydrophobicContact CB-CD1 3.8Å; Q32-I147 HydrophobicContact CG-CD1 4.19Å; D33-I147 WeakPolarHBondContact OD2-CB 3.5Å; I147-W165 HydrophobicContact CG2-CB 3.61Å; I147-W165 HydrophobicContact CG2-CD2 4.42Å; I147-W165 HydrophobicContact CG2-CE3 4.42Å; I147-W165 HydrophobicContact CG2-CG 4.12Å; I147-C184 HydrophobicContact CD1-CB 4.05Å; I147-C184 HydrophobicContact CG1-CB 3.73Å; I147-W194 HydrophobicContact CD1-CH2 3.93Å; I147-W194 HydrophobicContact CD1-CZ3 4.23Å; I147-W194 HydrophobicContact CG1-CH2 4.14Å; I147-W194 HydrophobicContact CG2-CH2 3.87Å; I147-W194 HydrophobicContact CG2-CZ2 4.12Å
148	K	95.6	Very high	94	Very high	59 Å²	59	72 Å²	72	26%	0.257	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	107.2	-176.1	-176.6	178.8	-178.8	179.5	0	109.4	F156 T158 C163 L164 W165	K148-F156 PolarHBondContact NZ-O 2.81Å; K148-T158 PolarHBondContact NZ-OG1 3.22Å; K148-C163 PolarHBondContact N-O 3.43Å; K148-L164 HydrophobicContact CD-CD1 4.42Å; K148-L164 HydrophobicContact CG-CD1 4.39Å; K148-W165 PolarHBondContact O-N 2.92Å
149	S	93.2	Very high	94	Very high	35 Å²	35	74.2 Å²	74.2	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	135.6	175.3	-53.2	0	0	0	0	111.9
150	C	92.5	Very high	93.9	Very high	1 Å²	1	82 Å²	82	1%	0.007	42%	0.415	C	S	.	.			trans	-109.8	102.9	173	179.3	0	0	0	0	110.3	C155 L164 W165 T166 M168 L169	C150-C155 WeakPolarHBondContact CA-SG 3.36Å; C150-C155 HydrophobicContact CB-CB 3.66Å; C150-C155 WeakPolarHBondContact CB-SG 3.45Å; C150-C155 WeakPolarHBondContact SG-CB 3.48Å; C150-C155 CovalentContact SG-SG 2.02Å; C150-C155 PolarHBondContact SG-SG 2.89Å; C150-L164 HydrophobicContact CB-CD1 4.04Å; C150-L164 HydrophobicContact CB-CG 4.23Å; C150-W165 WeakPolarHBondContact CB-O 3.44Å; C150-W165 PolarHBondContact N-O 3.09Å; C150-T166 HydrophobicContact CB-CG2 4.43Å; C150-M168 WeakPolarHBondContact O-CB 3.19Å; C150-L169 HydrophobicContact CB-CG 4.48Å; C150-L169 WeakPolarHBondContact O-CG 3.38Å
151	Y	89.6	Confident	93.9	Very high	99 Å²	99	79.3 Å²	79.3	39%	0.388	41%	0.405	S	S	.	.			trans	-91.7	-27.1	-178.2	-62.3	-69.8	0	0	0	113.6	M168	Y151-M168 HydrophobicContact CD1-CB 4.03Å; Y151-M168 HydrophobicContact CD1-CG 4.2Å; Y151-M168 HydrophobicContact CE1-CB 4.26Å; Y151-M168 HydrophobicContact CE1-CG 3.9Å; Y151-M168 HydrophobicContact CE1-SD 3.98Å
152	Y	89.4	Confident	94	Very high	181 Å²	181	74.7 Å²	74.7	71%	0.71	38%	0.381	S	S	*	.	S	Bend	trans	-149.9	140.9	-178.2	47.1	-94.5	0	0	0	109.9	C155	Y152-C155 PolarHBondContact O-SG 3.21Å
153	L	91.1	Very high	94.1	Very high	132 Å²	132	74.9 Å²	74.9	69%	0.691	38%	0.382	S	S	*	.	S	Bend	trans	-77.3	146.5	177.2	-68.6	175	0	0	0	110.9	L169	L153-L169 HydrophobicContact CD1-CD1 4.44Å; L153-L169 HydrophobicContact CD2-CD1 3.62Å; L153-L169 HydrophobicContact CD2-CD2 4.45Å; L153-L169 HydrophobicContact CG-CD1 3.93Å; L153-L169 HydrophobicContact CG-CD2 4.12Å
154	P	93.2	Very high	94.1	Very high	98 Å²	98	74.5 Å²	74.5	64%	0.636	38%	0.377	S	S	*	.	S	Bend	cis	-88.4	145.4	0	35.8	-35.1	0	0	0	113	F156	P154-F156 HydrophobicContact CB-CE2 3.58Å; P154-F156 HydrophobicContact CB-CZ 3.62Å; P154-F156 HydrophobicContact CG-CE2 3.96Å; P154-F156 HydrophobicContact CG-CZ 4.37Å
155	C	92.9	Very high	94	Very high	28 Å²	28	68 Å²	68	19%	0.189	34%	0.342	C	S	.	.			trans	-122.8	140	173.9	-55.6	0	0	0	0	111.4	C150 Y152 L164	C150-C155 WeakPolarHBondContact CA-SG 3.36Å; C150-C155 HydrophobicContact CB-CB 3.66Å; C150-C155 WeakPolarHBondContact CB-SG 3.45Å; C150-C155 WeakPolarHBondContact SG-CB 3.48Å; C150-C155 CovalentContact SG-SG 2.02Å; C150-C155 PolarHBondContact SG-SG 2.89Å; Y152-C155 PolarHBondContact O-SG 3.21Å; C155-L164 HydrophobicContact CB-CD1 3.71Å; C155-L164 HydrophobicContact CB-CD2 3.87Å; C155-L164 HydrophobicContact CB-CG 4.33Å; C155-L164 WeakPolarHBondContact O-CD2 3.11Å
156	F	93.5	Very high	93.8	Very high	143 Å²	143	69.3 Å²	69.3	63%	0.627	35%	0.35	S	S	*	.			trans	-137.4	152.9	179.7	-51.4	-77.5	0	0	0	111.9	K148 P154	K148-F156 PolarHBondContact NZ-O 2.81Å; P154-F156 HydrophobicContact CB-CE2 3.58Å; P154-F156 HydrophobicContact CB-CZ 3.62Å; P154-F156 HydrophobicContact CG-CE2 3.96Å; P154-F156 HydrophobicContact CG-CZ 4.37Å
157	V	93.4	Very high	93.5	Very high	76 Å²	76	64.3 Å²	64.3	46%	0.461	33%	0.329	S	S	.	.			trans	-68.9	128.6	169.3	-175	0	0	0	0	108.2	S159 E162 L164	V157-S159 WeakPolarHBondContact CG1-O 3.35Å; V157-E162 HydrophobicContact CG1-CB 3.72Å; V157-L164 HydrophobicContact CG2-CB 4.1Å
158	T	91.9	Very high	93	Very high	103 Å²	103	64 Å²	64	63%	0.632	33%	0.327	S	S	*	.			trans	-104.6	-13.3	-177.1	32.4	0	0	0	0	113.1	K148 E162	K148-T158 PolarHBondContact NZ-OG1 3.22Å; T158-E162 WeakPolarHBondContact CA-OE2 3.45Å; T158-E162 PolarHBondContact N-OE2 2.6Å; T158-E162 PolarHBondContact OG1-OE2 3.23Å
159	S	93.6	Very high	92.5	Very high	56 Å²	56	64 Å²	64	39%	0.392	33%	0.33	S	S	.	.	S	Bend	trans	-146.2	154.5	-179.7	170.8	0	0	0	0	111.5	V157 N161 E162	V157-S159 WeakPolarHBondContact CG1-O 3.35Å; S159-N161 WeakPolarHBondContact CB-OD1 3.41Å; S159-N161 PolarHBondContact O-N 3.03Å; S159-N161 VanDerWaalsContact O-N 3.08Å; S159-N161 PolarHBondContact OG-N 3.32Å; S159-N161 PolarHBondContact OG-OD1 2.87Å; S159-E162 PolarHBondContact N-OE2 3.32Å; S159-E162 PolarHBondContact O-N 3.4Å; S159-E162 VanDerWaalsContact O-N 3.14Å
160	K	93.9	Very high	91.5	Very high	165 Å²	165	66.5 Å²	66.5	72%	0.717	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.2	176.8	-65.4	-176.9	-179.1	179.8	0	113.4	Y191 C192	K160-Y191 CarbonylContact O-C 3.42Å; K160-Y191 WeakPolarHBondContact O-CA 3.38Å; K160-C192 PolarHBondContact O-N 2.83Å
161	N	95.3	Very high	90.2	Very high	69 Å²	69	69.3 Å²	69.3	37%	0.369	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12	179.7	72.6	-26.7	0	0	0	113.9	C145 K146 S159	C145-N161 CarbonylContact C-O 3.58Å; C145-N161 WeakPolarHBondContact CA-O 3.03Å; K146-N161 PolarHBondContact N-O 3.14Å; S159-N161 WeakPolarHBondContact CB-OD1 3.41Å; S159-N161 PolarHBondContact O-N 3.03Å; S159-N161 VanDerWaalsContact O-N 3.08Å; S159-N161 PolarHBondContact OG-N 3.32Å; S159-N161 PolarHBondContact OG-OD1 2.87Å
162	E	96.8	Very high	88.9	Confident	10 Å²	10	72.5 Å²	72.5	5%	0.047	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.3	-174.7	-74	179.1	159.5	0	0	113	K146 V157 T158 S159	K146-E162 HydrophobicContact CB-CG 4.02Å; K146-E162 HydrophobicContact CD-CG 4.06Å; K146-E162 WeakPolarHBondContact CD-OE1 3.4Å; K146-E162 HydrophobicContact CG-CG 4.23Å; K146-E162 IonicContact NZ-OE1 2.84Å; K146-E162 PolarHBondContact NZ-OE1 3.08Å; K146-E162 CarbonylContact O-C 3.52Å; K146-E162 WeakPolarHBondContact O-CA 3.39Å; V157-E162 HydrophobicContact CG1-CB 3.72Å; T158-E162 WeakPolarHBondContact CA-OE2 3.45Å; T158-E162 PolarHBondContact N-OE2 2.6Å; T158-E162 PolarHBondContact OG1-OE2 3.23Å; S159-E162 PolarHBondContact N-OE2 3.32Å; S159-E162 PolarHBondContact O-N 3.4Å; S159-E162 VanDerWaalsContact O-N 3.14Å
163	C	96.9	Very high	87.4	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.034	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.3	162.6	-56.9	0	0	0	0	109.6	K146 K148 C184 S193 W194	K146-C163 PolarHBondContact O-N 3.32Å; K148-C163 PolarHBondContact N-O 3.43Å; C163-C184 HydrophobicContact CB-CB 3.64Å; C163-C184 WeakPolarHBondContact CB-SG 3.47Å; C163-C184 VanDerWaalsContact SG-CA 3.56Å; C163-C184 WeakPolarHBondContact SG-CB 3.21Å; C163-C184 CovalentContact SG-SG 2.02Å; C163-C184 PolarHBondContact SG-SG 2.84Å; C163-S193 VanDerWaalsContact SG-CA 3.52Å; C163-W194 HydrophobicContact CB-CD2 3.97Å; C163-W194 HydrophobicContact CB-CE3 4.47Å; C163-W194 HydrophobicContact CB-CG 4.37Å; C163-W194 HydrophobicContact CB-CH2 4.5Å; C163-W194 HydrophobicContact CB-CZ2 3.96Å
164	L	95.8	Very high	86.2	Confident	32 Å²	32	68.7 Å²	68.7	17%	0.168	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.9	-179.6	-170.3	71.7	0	0	0	111	K148 C150 C155 V157 T166 W194	K148-L164 HydrophobicContact CD-CD1 4.42Å; K148-L164 HydrophobicContact CG-CD1 4.39Å; C150-L164 HydrophobicContact CB-CD1 4.04Å; C150-L164 HydrophobicContact CB-CG 4.23Å; C155-L164 HydrophobicContact CB-CD1 3.71Å; C155-L164 HydrophobicContact CB-CD2 3.87Å; C155-L164 HydrophobicContact CB-CG 4.33Å; C155-L164 WeakPolarHBondContact O-CD2 3.11Å; V157-L164 HydrophobicContact CG2-CB 4.1Å; L164-T166 HydrophobicContact CD2-CG2 3.96Å; L164-T166 HydrophobicContact CG-CG2 4.12Å; L164-W194 PolarHBondContact O-NE1 2.74Å
165	W	94.6	Very high	85.4	Confident	5 Å²	5	67 Å²	67	2%	0.019	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	104.7	179.6	-175.8	34.2	0	0	0	111	P28 H30 I147 K148 C150 D167 M168 Q178 S179 W194	P28-W165 HydrophobicContact CB-CH2 4.22Å; H30-W165 HydrophobicContact CB-CD2 4.26Å; H30-W165 HydrophobicContact CB-CE3 4.28Å; H30-W165 HydrophobicContact CB-CH2 4.12Å; H30-W165 HydrophobicContact CB-CZ2 4.13Å; H30-W165 HydrophobicContact CB-CZ3 4.22Å; H30-W165 AromaticContact CD2-NE1 3.98Å; I147-W165 HydrophobicContact CG2-CB 3.61Å; I147-W165 HydrophobicContact CG2-CD2 4.42Å; I147-W165 HydrophobicContact CG2-CE3 4.42Å; I147-W165 HydrophobicContact CG2-CG 4.12Å; K148-W165 PolarHBondContact O-N 2.92Å; C150-W165 WeakPolarHBondContact CB-O 3.44Å; C150-W165 PolarHBondContact N-O 3.09Å; W165-D167 PolarHBondContact NE1-OD2 3.43Å; W165-M168 HydrophobicContact CD2-CE 4.44Å; W165-M168 HydrophobicContact CD2-CG 4.38Å; W165-M168 HydrophobicContact CE3-CE 4.27Å; W165-M168 HydrophobicContact CE3-CG 4.19Å; W165-M168 HydrophobicContact CH2-CE 3.15Å; W165-M168 HydrophobicContact CZ2-CE 3.3Å; W165-M168 HydrophobicContact CZ3-CE 3.65Å; W165-M168 HydrophobicContact CZ3-CG 4.32Å; W165-Q178 VanDerWaalsContact CD1-OE1 3.31Å; W165-S179 VanDerWaalsContact CZ2-OG 3.3Å; W165-S179 WeakPolarHBondContact CZ2-OG 3.49Å; W165-S179 PolarHBondContact NE1-OG 3.14Å; W165-W194 HydrophobicContact CB-CZ2 4.1Å
166	T	92.5	Very high	85.1	Confident	35 Å²	35	66 Å²	66	22%	0.215	35%	0.354	C	S	.	.			trans	-98.8	-7.3	-171.9	53.7	0	0	0	0	113.6	C150 L164 M168 L169 Q178	C150-T166 HydrophobicContact CB-CG2 4.43Å; L164-T166 HydrophobicContact CD2-CG2 3.96Å; L164-T166 HydrophobicContact CG-CG2 4.12Å; T166-M168 PolarHBondContact O-N 2.8Å; T166-L169 HydrophobicContact CG2-CD1 4.48Å; T166-L169 WeakPolarHBondContact O-CB 3.21Å; T166-L169 PolarHBondContact O-N 2.02Å; T166-Q178 VanDerWaalsContact OG1-CD 3.26Å; T166-Q178 PolarHBondContact OG1-NE2 3.08Å; T166-Q178 PolarHBondContact OG1-OE1 3.38Å
167	D	91.4	Very high	85	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-54.8	-29.5	174.5	-67.7	-22.8	0	0	0	111.7	W165 L169 S170 N171 G176 Y177 Q178 S179	W165-D167 PolarHBondContact NE1-OD2 3.43Å; D167-L169 PolarHBondContact O-N 3.2Å; D167-S170 PolarHBondContact O-N 3.16Å; D167-S170 PolarHBondContact O-OG 2.95Å; D167-N171 PolarHBondContact O-N 3.28Å; D167-G176 WeakPolarHBondContact OD1-CA 3.5Å; D167-G176 VanDerWaalsContact OD2-C 3.3Å; D167-G176 WeakPolarHBondContact OD2-CA 3.48Å; D167-Y177 PolarHBondContact OD1-N 3.11Å; D167-Q178 WeakPolarHBondContact OD1-CB 3.5Å; D167-Q178 PolarHBondContact OD1-N 2.93Å; D167-Q178 PolarHBondContact OD2-N 3.48Å; D167-S179 WeakPolarHBondContact OD2-CB 2.96Å; D167-S179 PolarHBondContact OD2-N 2.95Å; D167-S179 PolarHBondContact OD2-OG 2.93Å
168	M	85.2	Confident	85	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-21.5	178.5	-73.3	-58.5	128.7	0	0	114.4	P28 C150 Y151 W165 T166	P28-M168 HydrophobicContact CB-CE 3.23Å; P28-M168 HydrophobicContact CB-SD 3.66Å; P28-M168 HydrophobicContact CG-CE 4.02Å; P28-M168 HydrophobicContact CG-SD 3.86Å; C150-M168 WeakPolarHBondContact O-CB 3.19Å; Y151-M168 HydrophobicContact CD1-CB 4.03Å; Y151-M168 HydrophobicContact CD1-CG 4.2Å; Y151-M168 HydrophobicContact CE1-CB 4.26Å; Y151-M168 HydrophobicContact CE1-CG 3.9Å; Y151-M168 HydrophobicContact CE1-SD 3.98Å; W165-M168 HydrophobicContact CD2-CE 4.44Å; W165-M168 HydrophobicContact CD2-CG 4.38Å; W165-M168 HydrophobicContact CE3-CE 4.27Å; W165-M168 HydrophobicContact CE3-CG 4.19Å; W165-M168 HydrophobicContact CH2-CE 3.15Å; W165-M168 HydrophobicContact CZ2-CE 3.3Å; W165-M168 HydrophobicContact CZ3-CE 3.65Å; W165-M168 HydrophobicContact CZ3-CG 4.32Å; T166-M168 PolarHBondContact O-N 2.8Å
169	L	85.9	Confident	85.1	Confident	60 Å²	60	56.3 Å²	56.3	31%	0.314	30%	0.295	S	S	.	.	H	α-helix	trans	-76	-34.6	177.3	-67.2	172.7	0	0	0	112.7	C150 L153 T166 D167	C150-L169 HydrophobicContact CB-CG 4.48Å; C150-L169 WeakPolarHBondContact O-CG 3.38Å; L153-L169 HydrophobicContact CD1-CD1 4.44Å; L153-L169 HydrophobicContact CD2-CD1 3.62Å; L153-L169 HydrophobicContact CD2-CD2 4.45Å; L153-L169 HydrophobicContact CG-CD1 3.93Å; L153-L169 HydrophobicContact CG-CD2 4.12Å; T166-L169 HydrophobicContact CG2-CD1 4.48Å; T166-L169 WeakPolarHBondContact O-CB 3.21Å; T166-L169 PolarHBondContact O-N 2.02Å; D167-L169 PolarHBondContact O-N 3.2Å
170	S	72.9	Confident	85.1	Confident	87 Å²	87	57.7 Å²	57.7	61%	0.608	29%	0.294	S	S	*	.	H	α-helix	trans	-106.4	-25.4	-171.6	50.4	0	0	0	0	113.1	D167	D167-S170 PolarHBondContact O-N 3.16Å; D167-S170 PolarHBondContact O-OG 2.95Å
171	N	63.6	Low	85.1	Confident	60 Å²	60	52.4 Å²	52.4	32%	0.321	27%	0.271	S	S	.	.			trans	-131.8	82.3	-174.2	-57.6	-69.1	0	0	0	109.1	D167 G173 Y174	D167-N171 PolarHBondContact O-N 3.28Å; N171-G173 VanDerWaalsContact C-N 3.33Å; N171-G173 PolarHBondContact O-N 2.64Å; N171-Y174 WeakPolarHBondContact CB-O 3.2Å
172	F	63.2	Low	85	Confident	165 Å²	165	51.5 Å²	51.5	72%	0.724	26%	0.263	S	S	*	.	S	Bend	trans	-60.3	95	170.8	-85.7	-85	0	0	0	109.7
173	G	57.2	Low	85	Confident	53 Å²	53	51.1 Å²	51.1	55%	0.546	26%	0.262	S	S	.	.	S	Bend	trans	94	-5.3	172.5	0	0	0	0	0	117	N171	N171-G173 VanDerWaalsContact C-N 3.33Å; N171-G173 PolarHBondContact O-N 2.64Å
174	Y	66.9	Low	85	Confident	181 Å²	181	50.9 Å²	50.9	71%	0.71	26%	0.26	S	S	*	.	S	Bend	trans	-105.9	143.6	176.6	-78.2	-84.6	0	0	0	112.4	N171 G176	N171-Y174 WeakPolarHBondContact CB-O 3.2Å; Y174-G176 PolarHBondContact O-N 3.17Å
175	P	75.5	Confident	85	Confident	63 Å²	63	50.4 Å²	50.4	41%	0.409	26%	0.258	S	S	.	.			trans	-64.7	106.5	179.6	24.8	-31.9	0	0	0	110.4	K180	P175-K180 HydrophobicContact CB-CG 4.46Å; P175-K180 WeakPolarHBondContact O-CE 3.5Å; P175-K180 PolarHBondContact O-NZ 3.18Å; P175-K180 VanDerWaalsContact O-NZ 3.08Å
176	G	87.9	Confident	85	Confident	5 Å²	5	58.5 Å²	58.5	5%	0.052	29%	0.288	C	S	.	.			trans	-76.2	-168.6	176.2	0	0	0	0	0	113.1	D167 Y174 K180	D167-G176 WeakPolarHBondContact OD1-CA 3.5Å; D167-G176 VanDerWaalsContact OD2-C 3.3Å; D167-G176 WeakPolarHBondContact OD2-CA 3.48Å; Y174-G176 PolarHBondContact O-N 3.17Å; G176-K180 WeakPolarHBondContact O-CB 3.4Å; G176-K180 WeakPolarHBondContact O-CG 3.3Å; G176-K180 PolarHBondContact O-N 2.82Å; G176-K180 VanDerWaalsContact O-N 3.14Å
177	Y	91.2	Very high	84.9	Confident	109 Å²	109	59.4 Å²	59.4	43%	0.427	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-40	-172.5	-167.2	-102.7	0	0	0	112.1	D167 K180 H181 Y182 R196	D167-Y177 PolarHBondContact OD1-N 3.11Å; Y177-K180 PolarHBondContact O-N 2.93Å; Y177-H181 AromaticContact CD2-CD2 3.41Å; Y177-H181 VanDerWaalsContact CD2-CD2 3.41Å; Y177-H181 WeakPolarHBondContact CD2-CD2 3.13Å; Y177-H181 AromaticContact CD2-NE2 3.94Å; Y177-H181 AromaticContact CE2-CD2 3.35Å; Y177-H181 WeakPolarHBondContact CE2-CD2 3.49Å; Y177-H181 AromaticContact CE2-NE2 3.77Å; Y177-H181 AromaticContact CG-CD2 3.92Å; Y177-H181 AromaticContact CZ-CD2 3.83Å; Y177-H181 WeakPolarHBondContact O-CB 3.41Å; Y177-H181 PolarHBondContact O-CD2 2.89Å; Y177-H181 VanDerWaalsContact O-CD2 3.32Å; Y177-H181 PolarHBondContact O-N 2.84Å; Y177-Y182 HydrophobicContact CD1-CD2 4.39Å; Y177-Y182 AromaticContact CD1-CE2 3.66Å; Y177-Y182 HydrophobicContact CD1-CE2 3.66Å; Y177-Y182 AromaticContact CE1-CE2 3.54Å; Y177-Y182 HydrophobicContact CE1-CE2 3.54Å; Y177-R196 VanDerWaalsContact OH-CZ 3.28Å; Y177-R196 PolarHBondContact OH-NH2 2.97Å
178	Q	93.6	Very high	84.5	Confident	8 Å²	8	69.7 Å²	69.7	4%	0.037	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-48.5	178.6	-66.4	179.8	-26	0	0	110.6	W165 T166 D167 K180 H181 Y182 P211	W165-Q178 VanDerWaalsContact CD1-OE1 3.31Å; T166-Q178 VanDerWaalsContact OG1-CD 3.26Å; T166-Q178 PolarHBondContact OG1-NE2 3.08Å; T166-Q178 PolarHBondContact OG1-OE1 3.38Å; D167-Q178 WeakPolarHBondContact OD1-CB 3.5Å; D167-Q178 PolarHBondContact OD1-N 2.93Å; D167-Q178 PolarHBondContact OD2-N 3.48Å; Q178-K180 VanDerWaalsContact C-N 3.25Å; Q178-K180 PolarHBondContact O-N 3.02Å; Q178-H181 PolarHBondContact O-N 2.93Å; Q178-Y182 HydrophobicContact CG-CD2 4.48Å; Q178-Y182 WeakPolarHBondContact O-CB 3.42Å; Q178-Y182 PolarHBondContact O-N 2.81Å; Q178-P211 PolarHBondContact NE2-OXT 3.12Å
179	S	94	Very high	84.2	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-35.7	177.3	-54.3	0	0	0	0	113.5	Q131 W165 D167	Q131-S179 PolarHBondContact NE2-O 2.7Å; W165-S179 VanDerWaalsContact CZ2-OG 3.3Å; W165-S179 WeakPolarHBondContact CZ2-OG 3.49Å; W165-S179 PolarHBondContact NE1-OG 3.14Å; D167-S179 WeakPolarHBondContact OD2-CB 2.96Å; D167-S179 PolarHBondContact OD2-N 2.95Å; D167-S179 PolarHBondContact OD2-OG 2.93Å
180	K	92.9	Very high	84.3	Confident	85 Å²	85	70.9 Å²	70.9	37%	0.37	36%	0.362	S	S	.	.	H	α-helix	trans	-82	-30	-178.3	-79	173.8	176.6	160.7	0	113.2	T128 P175 G176 Y177 Q178	T128-K180 HydrophobicContact CG2-CB 3.96Å; T128-K180 HydrophobicContact CG2-CG 4.12Å; T128-K180 PolarHBondContact OG1-O 3.27Å; P175-K180 HydrophobicContact CB-CG 4.46Å; P175-K180 WeakPolarHBondContact O-CE 3.5Å; P175-K180 PolarHBondContact O-NZ 3.18Å; P175-K180 VanDerWaalsContact O-NZ 3.08Å; G176-K180 WeakPolarHBondContact O-CB 3.4Å; G176-K180 WeakPolarHBondContact O-CG 3.3Å; G176-K180 PolarHBondContact O-N 2.82Å; G176-K180 VanDerWaalsContact O-N 3.14Å; Y177-K180 PolarHBondContact O-N 2.93Å; Q178-K180 VanDerWaalsContact C-N 3.25Å; Q178-K180 PolarHBondContact O-N 3.02Å
181	H	93.2	Very high	85.2	Confident	53 Å²	53	70.1 Å²	70.1	25%	0.245	35%	0.347	C	S	.	.	H	α-helix	trans	-125.8	-17.3	-163.9	-61.8	-65.5	0	0	0	116.1	S130 Y177 Q178 G197	S130-H181 WeakPolarHBondContact CB-O 3.09Å; S130-H181 PolarHBondContact OG-O 2.81Å; Y177-H181 AromaticContact CD2-CD2 3.41Å; Y177-H181 VanDerWaalsContact CD2-CD2 3.41Å; Y177-H181 WeakPolarHBondContact CD2-CD2 3.13Å; Y177-H181 AromaticContact CD2-NE2 3.94Å; Y177-H181 AromaticContact CE2-CD2 3.35Å; Y177-H181 WeakPolarHBondContact CE2-CD2 3.49Å; Y177-H181 AromaticContact CE2-NE2 3.77Å; Y177-H181 AromaticContact CG-CD2 3.92Å; Y177-H181 AromaticContact CZ-CD2 3.83Å; Y177-H181 WeakPolarHBondContact O-CB 3.41Å; Y177-H181 PolarHBondContact O-CD2 2.89Å; Y177-H181 VanDerWaalsContact O-CD2 3.32Å; Y177-H181 PolarHBondContact O-N 2.84Å; Q178-H181 PolarHBondContact O-N 2.93Å; H181-G197 PolarHBondContact O-N 2.63Å
182	Y	94.8	Very high	86.8	Confident	50 Å²	50	67.9 Å²	67.9	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	159.2	-171.8	-68.2	-94.9	0	0	0	113.5	Y177 Q178 W194 Y195 R196	Y177-Y182 HydrophobicContact CD1-CD2 4.39Å; Y177-Y182 AromaticContact CD1-CE2 3.66Å; Y177-Y182 HydrophobicContact CD1-CE2 3.66Å; Y177-Y182 AromaticContact CE1-CE2 3.54Å; Y177-Y182 HydrophobicContact CE1-CE2 3.54Å; Q178-Y182 HydrophobicContact CG-CD2 4.48Å; Q178-Y182 WeakPolarHBondContact O-CB 3.42Å; Q178-Y182 PolarHBondContact O-N 2.81Å; Y182-W194 HydrophobicContact CD1-CB 3.71Å; Y182-W194 HydrophobicContact CD1-CG 4.5Å; Y182-W194 HydrophobicContact CE1-CB 4.3Å; Y182-W194 HydrophobicContact CG-CB 4.33Å; Y182-Y195 WeakPolarHBondContact CA-O 3.48Å; Y182-R196 HydrophobicContact CD1-CB 3.96Å; Y182-R196 HydrophobicContact CD1-CG 4.5Å; Y182-R196 HydrophobicContact CE1-CB 3.59Å; Y182-R196 HydrophobicContact CE1-CG 4.06Å
183	A	96.6	Very high	88.3	Confident	3 Å²	3	61.3 Å²	61.3	3%	0.025	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.9	167.5	0	0	0	0	0	108.1	R138 Y139 I185 Y195	R138-A183 HydrophobicContact CB-CB 3.93Å; Y139-A183 HydrophobicContact CD1-CB 4.06Å; Y139-A183 HydrophobicContact CE1-CB 4.01Å; A183-I185 HydrophobicContact CB-CG2 4.17Å; A183-I185 PolarHBondContact O-N 2.99Å; A183-Y195 PolarHBondContact N-O 3.15Å; A183-Y195 VanDerWaalsContact N-O 3.09Å; A183-Y195 PolarHBondContact O-N 2.77Å
184	C	96.9	Very high	90.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	106.5	177	178.4	0	0	0	0	108.5	Q32 G142 C145 I147 C163 W194	Q32-C184 PolarHBondContact NE2-O 3.13Å; Q32-C184 PolarHBondContact OE1-O 2.8Å; G142-C184 WeakPolarHBondContact CA-O 3.2Å; C145-C184 HydrophobicContact CB-CB 4.41Å; C145-C184 WeakPolarHBondContact CB-SG 3.07Å; I147-C184 HydrophobicContact CD1-CB 4.05Å; I147-C184 HydrophobicContact CG1-CB 3.73Å; C163-C184 HydrophobicContact CB-CB 3.64Å; C163-C184 WeakPolarHBondContact CB-SG 3.47Å; C163-C184 VanDerWaalsContact SG-CA 3.56Å; C163-C184 WeakPolarHBondContact SG-CB 3.21Å; C163-C184 CovalentContact SG-SG 2.02Å; C163-C184 PolarHBondContact SG-SG 2.84Å; C184-W194 HydrophobicContact CB-CE3 3.91Å; C184-W194 HydrophobicContact CB-CH2 4.31Å; C184-W194 HydrophobicContact CB-CZ3 3.77Å
185	I	95.5	Very high	91.2	Very high	22 Å²	22	55.8 Å²	55.8	11%	0.113	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.1	-174.7	65	176.1	0	0	0	111.2	R138 C145 A183 Q187 C192 S193 Y195	R138-I185 HydrophobicContact CB-CG2 4.44Å; C145-I185 VanDerWaalsContact SG-C 3.54Å; A183-I185 HydrophobicContact CB-CG2 4.17Å; A183-I185 PolarHBondContact O-N 2.99Å; I185-Q187 PolarHBondContact O-N 2.99Å; I185-C192 WeakPolarHBondContact O-CA 3.34Å; I185-S193 PolarHBondContact N-O 3.03Å; I185-S193 VanDerWaalsContact N-O 3.1Å; I185-S193 PolarHBondContact O-N 3.18Å; I185-Y195 VanDerWaalsContact CD1-CB 3.49Å; I185-Y195 HydrophobicContact CD1-CD1 3.9Å; I185-Y195 HydrophobicContact CD1-CD2 3.97Å; I185-Y195 HydrophobicContact CD1-CG 3.49Å; I185-Y195 VanDerWaalsContact CD1-CG 3.49Å; I185-Y195 HydrophobicContact CG1-CG 4.19Å
186	R	93.6	Very high	91.8	Very high	174 Å²	174	57.7 Å²	57.7	66%	0.657	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.6	176.8	-171.1	171.6	-178.5	148.3	0.3	110.2	C145	C145-R186 PolarHBondContact SG-N 3.05Å; C145-R186 VanDerWaalsContact SG-N 3.39Å
187	Q	90.1	Very high	90.6	Very high	54 Å²	54	57.6 Å²	57.6	25%	0.252	27%	0.27	S	S	.	.			trans	-86.9	167.9	176.1	-58.6	-59.8	-19.5	0	0	111.5	I185 G189 G190 Y191 S193	I185-Q187 PolarHBondContact O-N 2.99Å; Q187-G189 PolarHBondContact O-N 3.47Å; Q187-G190 PolarHBondContact O-N 3.28Å; Q187-Y191 HydrophobicContact CB-CE1 4.4Å; Q187-Y191 HydrophobicContact CB-CE2 4.27Å; Q187-Y191 WeakPolarHBondContact CB-O 2.93Å; Q187-Y191 HydrophobicContact CG-CD2 4.43Å; Q187-Y191 HydrophobicContact CG-CE2 3.99Å; Q187-Y191 PolarHBondContact N-O 3.05Å; Q187-S193 WeakPolarHBondContact CG-OG 3.03Å; Q187-S193 PolarHBondContact NE2-OG 2.81Å
188	K	84.2	Confident	88.8	Confident	223 Å²	223	61.7 Å²	61.7	97%	0.97	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.3	177.9	-67.3	-174.9	178.6	-177.9	0	113.2	G190	K188-G190 PolarHBondContact O-N 2.89Å
189	G	79.5	Confident	86.7	Confident	62 Å²	62	63.5 Å²	63.5	64%	0.639	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	5	176.3	0	0	0	0	0	115	Q187 Y191	Q187-G189 PolarHBondContact O-N 3.47Å; G189-Y191 VanDerWaalsContact C-N 3.27Å; G189-Y191 PolarHBondContact O-N 3.29Å
190	G	86.3	Confident	84.2	Confident	28 Å²	28	68.5 Å²	68.5	29%	0.289	33%	0.334	S	S	.	.	S	Bend	trans	81.1	-3	176.2	0	0	0	0	0	115.5	Q187 K188	Q187-G190 PolarHBondContact O-N 3.28Å; K188-G190 PolarHBondContact O-N 2.89Å
191	Y	93.1	Very high	81.7	Confident	71 Å²	71	70.1 Å²	70.1	28%	0.278	35%	0.353	S	S	.	.			trans	-95.7	152.9	172.7	65.3	-86.4	0	0	0	111.6	K160 Q187 G189	K160-Y191 CarbonylContact O-C 3.42Å; K160-Y191 WeakPolarHBondContact O-CA 3.38Å; Q187-Y191 HydrophobicContact CB-CE1 4.4Å; Q187-Y191 HydrophobicContact CB-CE2 4.27Å; Q187-Y191 WeakPolarHBondContact CB-O 2.93Å; Q187-Y191 HydrophobicContact CG-CD2 4.43Å; Q187-Y191 HydrophobicContact CG-CE2 3.99Å; Q187-Y191 PolarHBondContact N-O 3.05Å; G189-Y191 VanDerWaalsContact C-N 3.27Å; G189-Y191 PolarHBondContact O-N 3.29Å
192	C	95.8	Very high	79.1	Confident	13 Å²	13	73.9 Å²	73.9	9%	0.088	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.5	171.3	-66.3	0	0	0	0	109.6	C145 K160 I185	C145-C192 VanDerWaalsContact CA-SG 3.54Å; C145-C192 HydrophobicContact CB-CB 3.63Å; C145-C192 WeakPolarHBondContact CB-SG 3Å; C145-C192 WeakPolarHBondContact SG-CB 3.33Å; C145-C192 CovalentContact SG-SG 2.03Å; C145-C192 PolarHBondContact SG-SG 3.25Å; K160-C192 PolarHBondContact O-N 2.83Å; I185-C192 WeakPolarHBondContact O-CA 3.34Å
193	S	94.8	Very high	76.6	Confident	27 Å²	27	81.6 Å²	81.6	19%	0.189	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	161.2	173.8	74.1	0	0	0	0	110.9	C163 I185 Q187 Y195	C163-S193 VanDerWaalsContact SG-CA 3.52Å; I185-S193 PolarHBondContact N-O 3.03Å; I185-S193 VanDerWaalsContact N-O 3.1Å; I185-S193 PolarHBondContact O-N 3.18Å; Q187-S193 WeakPolarHBondContact CG-OG 3.03Å; Q187-S193 PolarHBondContact NE2-OG 2.81Å; S193-Y195 PolarHBondContact O-N 2.98Å
194	W	95.2	Very high	73.9	Confident	52 Å²	52	84.9 Å²	84.9	20%	0.197	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.4	172.1	-72.1	127.7	0	0	0	110.7	H30 I147 C163 L164 W165 Y182 C184	H30-W194 AromaticContact CD2-CH2 3.81Å; H30-W194 AromaticContact CE1-CZ3 3.87Å; H30-W194 AromaticContact NE2-CH2 3.69Å; H30-W194 AromaticContact NE2-CZ3 3.65Å; I147-W194 HydrophobicContact CD1-CH2 3.93Å; I147-W194 HydrophobicContact CD1-CZ3 4.23Å; I147-W194 HydrophobicContact CG1-CH2 4.14Å; I147-W194 HydrophobicContact CG2-CH2 3.87Å; I147-W194 HydrophobicContact CG2-CZ2 4.12Å; C163-W194 HydrophobicContact CB-CD2 3.97Å; C163-W194 HydrophobicContact CB-CE3 4.47Å; C163-W194 HydrophobicContact CB-CG 4.37Å; C163-W194 HydrophobicContact CB-CH2 4.5Å; C163-W194 HydrophobicContact CB-CZ2 3.96Å; L164-W194 PolarHBondContact O-NE1 2.74Å; W165-W194 HydrophobicContact CB-CZ2 4.1Å; Y182-W194 HydrophobicContact CD1-CB 3.71Å; Y182-W194 HydrophobicContact CD1-CG 4.5Å; Y182-W194 HydrophobicContact CE1-CB 4.3Å; Y182-W194 HydrophobicContact CG-CB 4.33Å; C184-W194 HydrophobicContact CB-CE3 3.91Å; C184-W194 HydrophobicContact CB-CH2 4.31Å; C184-W194 HydrophobicContact CB-CZ3 3.77Å
195	Y	91.5	Very high	71.3	Confident	67 Å²	67	91.2 Å²	91.2	26%	0.263	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.1	176.5	177.2	-93.4	0	0	0	110	Y182 A183 I185 S193	Y182-Y195 WeakPolarHBondContact CA-O 3.48Å; A183-Y195 PolarHBondContact N-O 3.15Å; A183-Y195 VanDerWaalsContact N-O 3.09Å; A183-Y195 PolarHBondContact O-N 2.77Å; I185-Y195 VanDerWaalsContact CD1-CB 3.49Å; I185-Y195 HydrophobicContact CD1-CD1 3.9Å; I185-Y195 HydrophobicContact CD1-CD2 3.97Å; I185-Y195 HydrophobicContact CD1-CG 3.49Å; I185-Y195 VanDerWaalsContact CD1-CG 3.49Å; I185-Y195 HydrophobicContact CG1-CG 4.19Å; S193-Y195 PolarHBondContact O-N 2.98Å
196	R	86.6	Confident	68.7	Low	102 Å²	102	94.6 Å²	94.6	39%	0.385	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.5	179.8	-164.3	172.4	177.7	-170.7	-5.5	110.1	Y177 Y182 W198 A199	Y177-R196 VanDerWaalsContact OH-CZ 3.28Å; Y177-R196 PolarHBondContact OH-NH2 2.97Å; Y182-R196 HydrophobicContact CD1-CB 3.96Å; Y182-R196 HydrophobicContact CD1-CG 4.5Å; Y182-R196 HydrophobicContact CE1-CB 3.59Å; Y182-R196 HydrophobicContact CE1-CG 4.06Å; R196-W198 PolarHBondContact O-N 2.83Å; R196-A199 PolarHBondContact O-N 2.96Å
197	G	63.6	Low	65.8	Low	3 Å²	3	91.5 Å²	91.5	3%	0.031	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	3.1	-168.8	0	0	0	0	0	119	R138 H181	R138-G197 PolarHBondContact NH1-O 3.02Å; R138-G197 VanDerWaalsContact NH1-O 3.11Å; R138-G197 VanDerWaalsContact NH2-C 3.33Å; R138-G197 VanDerWaalsContact NH2-CA 3.34Å; R138-G197 PolarHBondContact NH2-O 3.1Å; H181-G197 PolarHBondContact O-N 2.63Å
198	W	53.4	Low	63.5	Low	195 Å²	195	92.4 Å²	92.4	74%	0.739	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-12.2	-175.1	-171.1	57.8	0	0	0	113.8	R196	R196-W198 PolarHBondContact O-N 2.83Å
199	A	48.8	Very low	61.3	Low	46 Å²	46	88 Å²	88	38%	0.38	50%	0.495	S	S	.	.			trans	-78.7	131.5	-179	0	0	0	0	0	110.8	R196	R196-A199 PolarHBondContact O-N 2.96Å
200	P	40.9	Very low	58.9	Low	108 Å²	108	91.4 Å²	91.4	70%	0.701	50%	0.499	S	S	*	.			trans	-50.6	152.6	156.9	-18.7	30.4	0	0	0	109.5	D202	P200-D202 VanDerWaalsContact C-N 3.34Å; P200-D202 PolarHBondContact O-N 2.02Å
201	P	40.4	Very low	56.9	Low	119 Å²	119	96.6 Å²	96.6	77%	0.773	53%	0.527	S	S	*	.			trans	-63.7	97.7	176.4	26.1	-30.8	0	0	0	108.8	K203	P201-K203 PolarHBondContact O-N 3.36Å
202	D	39.7	Very low	55.1	Low	132 Å²	132	97.9 Å²	97.9	71%	0.706	54%	0.54	S	S	*	.			trans	-74.2	124.8	175	-143.4	-22.1	0	0	0	108.2	P200 S204	P200-D202 VanDerWaalsContact C-N 3.34Å; P200-D202 PolarHBondContact O-N 2.02Å; D202-S204 PolarHBondContact O-N 3.28Å
203	K	41.4	Very low	52.9	Low	213 Å²	213	102.3 Å²	102.3	93%	0.926	56%	0.564	S	S	*	*	S	Bend	trans	-80.6	9.9	-175.9	-82.3	-174.7	178.2	178.3	0	112.7	P201	P201-K203 PolarHBondContact O-N 3.36Å
204	S	40.4	Very low	50.6	Low	72 Å²	72	106.5 Å²	106.5	50%	0.503	58%	0.584	S	S	.	*	S	Bend	trans	-144.3	140.6	177.2	47.1	0	0	0	0	109.3	D202	D202-S204 PolarHBondContact O-N 3.28Å
205	I	41.8	Very low	48	Very low	133 Å²	133	109.7 Å²	109.7	68%	0.682	61%	0.607	S	S	*	*			trans	93.8	67.2	176.3	-43.4	159.9	0	0	0	113.5	N207	I205-N207 HydrophobicContact CG2-CB 3.84Å; I205-N207 PolarHBondContact O-N 3.38Å
206	S	42.1	Very low	45.3	Very low	92 Å²	92	112.4 Å²	112.4	64%	0.643	63%	0.629	S	S	*	*			trans	-75.5	69.6	147.8	56.3	0	0	0	0	109.6
207	N	32.3	Very low	42.5	Very low	109 Å²	109	113.1 Å²	113.1	58%	0.583	65%	0.645	S	S	*	*			trans	-93.6	102.4	163.9	-80.2	-5.5	0	0	0	107.5	I205 T209	I205-N207 HydrophobicContact CG2-CB 3.84Å; I205-N207 PolarHBondContact O-N 3.38Å; N207-T209 PolarHBondContact O-N 3.36Å
208	A	41.1	Very low	41	Very low	74 Å²	74	120.9 Å²	120.9	61%	0.612	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	26.3	177.4	0	0	0	0	0	112.9
209	T	38.9	Very low	40.1	Very low	129 Å²	129	115.2 Å²	115.2	79%	0.791	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150	7.9	-166.6	6.5	0	0	0	0	116.2	N207	N207-T209 PolarHBondContact O-N 3.36Å
210	D	29	Very low	39.3	Very low	135 Å²	135	121 Å²	121	72%	0.722	71%	0.71	S	S	*	*			trans	-87.7	134.1	173.1	-111	-28.2	0	0	0	111.4
211	P	43.9	Very low	39.2	Very low	136 Å²	136	122.2 Å²	122.2	88%	0.883	71%	0.711	S	S	*	*			trans	-65.7	0	-161.6	24.2	-31.7	0	0	0	116.2	Q178	Q178-P211 PolarHBondContact NE2-OXT 3.12Å

Retrieved 211 of 211 residues in 33.8 ms (Link to these results)

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