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Lactoylglutathione lyase

Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B. Required for normal osteoclastogenesis.

AlphaFold DB (Q04760), UniProt , Accession X5DNM4, Species HUMAN (Homo sapiens, Human), Gene GLO1, Length 184 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	52.9	Low	67.5	Low	246 Å²	246	134.5 Å²	134.5	100%	1.212	84%	0.835	S	S	*	*				0	116.1	0	-70.7	-173.7	-80.2	0	0	106.1
2	A	59.5	Low	69.7	Low	103 Å²	103	129.8 Å²	129.8	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.6	134.7	177	0	0	0	0	0	108.7
3	E	58.2	Low	71.6	Confident	181 Å²	181	129.5 Å²	129.5	85%	0.846	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.1	136.7	171.3	-73.6	-177.4	159.5	0	0	109.1	Q5	E3-Q5 PolarHBondContact O-N 2.67Å
4	P	63.9	Low	73.4	Confident	120 Å²	120	130.1 Å²	130.1	78%	0.779	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.7	128.8	176.1	24.6	-31.7	0	0	0	109.1
5	Q	58.4	Low	74.9	Confident	186 Å²	186	123.5 Å²	123.5	87%	0.869	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-56.2	133.5	169.6	-82.3	-165	-35	0	0	108.7	E3	E3-Q5 PolarHBondContact O-N 2.67Å
6	P	57.5	Low	76.3	Confident	112 Å²	112	118.5 Å²	118.5	73%	0.727	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57.6	146.5	173.3	23.3	-30.7	0	0	0	109.3	S8	P6-S8 PolarHBondContact O-N 3.36Å
7	P	60.8	Low	77.5	Confident	127 Å²	127	118.8 Å²	118.8	83%	0.825	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-52	131.8	179	20.4	-30.9	0	0	0	109.8	G9	P7-G9 VanDerWaalsContact C-N 3.29Å; P7-G9 PolarHBondContact O-N 2.89Å
8	S	69.7	Low	78.6	Confident	133 Å²	133	117.4 Å²	117.4	93%	0.93	72%	0.717	S	S	*	*	S	Bend	trans	-66.7	86.3	-178.3	60.3	0	0	0	0	110.3	P6	P6-S8 PolarHBondContact O-N 3.36Å
9	G	83.1	Confident	79.6	Confident	65 Å²	65	116.3 Å²	116.3	67%	0.67	71%	0.714	S	S	*	*			trans	-129.8	158.7	171.5	0	0	0	0	0	109.8	P7	P7-G9 VanDerWaalsContact C-N 3.29Å; P7-G9 PolarHBondContact O-N 2.89Å
10	G	87	Confident	80.5	Confident	79 Å²	79	115.2 Å²	115.2	81%	0.814	71%	0.71	S	S	*	*			trans	-67.4	176.3	166.7	0	0	0	0	0	111.6
11	L	91.6	Very high	81.3	Confident	127 Å²	127	115.2 Å²	115.2	67%	0.665	72%	0.715	S	S	*	*			trans	-57.9	146.5	167.2	-65.1	177.1	0	0	0	109.8	A15 A16	L11-A15 HydrophobicContact CB-CB 4.14Å; L11-A15 HydrophobicContact CD2-CB 4.21Å; L11-A16 HydrophobicContact CB-CB 4.44Å
12	T	93.9	Very high	83.5	Confident	79 Å²	79	111.3 Å²	111.3	49%	0.485	70%	0.698	S	S	.	*			trans	-67.1	161.4	165.7	76.8	0	0	0	0	109.7	E14 A15 A16	T12-E14 VanDerWaalsContact CB-OE2 3.29Å; T12-E14 WeakPolarHBondContact CB-OE2 3.47Å; T12-E14 PolarHBondContact O-N 3.46Å; T12-E14 PolarHBondContact OG1-N 3.21Å; T12-E14 PolarHBondContact OG1-OE2 3.41Å; T12-A15 PolarHBondContact O-N 3Å; T12-A15 VanDerWaalsContact O-N 3.12Å; T12-A15 PolarHBondContact OG1-N 3.28Å; T12-A15 VanDerWaalsContact OG1-N 3.17Å; T12-A16 WeakPolarHBondContact O-CB 3.38Å; T12-A16 PolarHBondContact O-N 3.44Å
13	D	94.4	Very high	85.3	Confident	126 Å²	126	110.4 Å²	110.4	67%	0.674	69%	0.691	S	S	*	*	H	α-helix	trans	-57.3	-39.6	176.6	-70.8	-2.9	0	0	0	111.1	A16 L17	D13-A16 PolarHBondContact O-N 2.89Å; D13-L17 WeakPolarHBondContact O-CB 3.34Å; D13-L17 WeakPolarHBondContact O-CG 3.32Å; D13-L17 PolarHBondContact O-N 3.09Å
14	E	96.4	Very high	87.2	Confident	138 Å²	138	106.3 Å²	106.3	65%	0.645	68%	0.675	S	S	*	*	H	α-helix	trans	-64.7	-43.5	176.6	-57.3	77.9	-169.6	0	0	111.9	T12 L17 S18	T12-E14 VanDerWaalsContact CB-OE2 3.29Å; T12-E14 WeakPolarHBondContact CB-OE2 3.47Å; T12-E14 PolarHBondContact O-N 3.46Å; T12-E14 PolarHBondContact OG1-N 3.21Å; T12-E14 PolarHBondContact OG1-OE2 3.41Å; E14-L17 PolarHBondContact O-N 3.14Å; E14-S18 VanDerWaalsContact O-CB 3.31Å; E14-S18 WeakPolarHBondContact O-CB 3.47Å; E14-S18 PolarHBondContact O-N 3.31Å
15	A	96.5	Very high	88.9	Confident	31 Å²	31	105.7 Å²	105.7	26%	0.256	67%	0.671	S	S	.	*	H	α-helix	trans	-64.8	-41.9	177.5	0	0	0	0	0	110.9	L11 T12 S18 C19	L11-A15 HydrophobicContact CB-CB 4.14Å; L11-A15 HydrophobicContact CD2-CB 4.21Å; T12-A15 PolarHBondContact O-N 3Å; T12-A15 VanDerWaalsContact O-N 3.12Å; T12-A15 PolarHBondContact OG1-N 3.28Å; T12-A15 VanDerWaalsContact OG1-N 3.17Å; A15-S18 PolarHBondContact O-N 3.39Å; A15-S18 PolarHBondContact O-OG 2.69Å; A15-C19 PolarHBondContact O-SG 2.69Å
16	A	96.9	Very high	90.8	Very high	43 Å²	43	100.9 Å²	100.9	36%	0.355	66%	0.658	S	S	.	*	H	α-helix	trans	-62.4	-49	175.7	0	0	0	0	0	111.9	L11 T12 D13 S18 C19	L11-A16 HydrophobicContact CB-CB 4.44Å; T12-A16 WeakPolarHBondContact O-CB 3.38Å; T12-A16 PolarHBondContact O-N 3.44Å; D13-A16 PolarHBondContact O-N 2.89Å; A16-S18 VanDerWaalsContact C-N 3.27Å; A16-S18 PolarHBondContact O-N 3.14Å; A16-C19 WeakPolarHBondContact O-CB 3.48Å; A16-C19 PolarHBondContact O-N 3.32Å; A16-C19 VanDerWaalsContact O-N 3.14Å
17	L	97.1	Very high	92.7	Very high	123 Å²	123	97.8 Å²	97.8	64%	0.644	64%	0.637	S	S	*	*	H	α-helix	trans	-63.2	-33	178	-70.7	170.3	0	0	0	112.3	D13 E14 C19 C20	D13-L17 WeakPolarHBondContact O-CB 3.34Å; D13-L17 WeakPolarHBondContact O-CG 3.32Å; D13-L17 PolarHBondContact O-N 3.09Å; E14-L17 PolarHBondContact O-N 3.14Å; L17-C19 PolarHBondContact O-N 3.27Å; L17-C20 WeakPolarHBondContact O-CB 3.44Å; L17-C20 PolarHBondContact O-N 2.61Å; L17-C20 VanDerWaalsContact O-N 3.09Å
18	S	97.3	Very high	94.5	Very high	94 Å²	94	99.7 Å²	99.7	66%	0.657	63%	0.632	S	S	*	*	H	α-helix	trans	-66.1	-18.4	177.2	78.2	0	0	0	0	114	E14 A15 A16	E14-S18 VanDerWaalsContact O-CB 3.31Å; E14-S18 WeakPolarHBondContact O-CB 3.47Å; E14-S18 PolarHBondContact O-N 3.31Å; A15-S18 PolarHBondContact O-N 3.39Å; A15-S18 PolarHBondContact O-OG 2.69Å; A16-S18 VanDerWaalsContact C-N 3.27Å; A16-S18 PolarHBondContact O-N 3.14Å
19	C	97.3	Very high	95.8	Very high	97 Å²	97	100.3 Å²	100.3	66%	0.655	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-5.7	175.3	-62.8	0	0	0	0	113.3	A15 A16 L17	A15-C19 PolarHBondContact O-SG 2.69Å; A16-C19 WeakPolarHBondContact O-CB 3.48Å; A16-C19 PolarHBondContact O-N 3.32Å; A16-C19 VanDerWaalsContact O-N 3.14Å; L17-C19 PolarHBondContact O-N 3.27Å
20	C	97.6	Very high	96.6	Very high	94 Å²	94	104.8 Å²	104.8	64%	0.635	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-88.1	126.9	-179.1	-65.4	0	0	0	0	111	L17	L17-C20 WeakPolarHBondContact O-CB 3.44Å; L17-C20 PolarHBondContact O-N 2.61Å; L17-C20 VanDerWaalsContact O-N 3.09Å
21	S	98.1	Very high	97.1	Very high	116 Å²	116	104.8 Å²	104.8	81%	0.811	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-97.2	150.5	172.1	-59.6	0	0	0	0	111
22	D	98.1	Very high	97.5	Very high	163 Å²	163	105.3 Å²	105.3	87%	0.872	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-60.8	146.3	161.3	-71.3	-47.2	0	0	0	110.2	D24	D22-D24 PolarHBondContact O-N 3.46Å
23	A	97.6	Very high	97.7	Very high	84 Å²	84	102.6 Å²	102.6	69%	0.694	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-66.8	129.8	177.5	0	0	0	0	0	110.9
24	D	98.5	Very high	97.9	Very high	95 Å²	95	100 Å²	100	51%	0.508	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-62.7	137.8	172.3	-175	-63	0	0	0	109.7	D22 S26 T27	D22-D24 PolarHBondContact O-N 3.46Å; D24-S26 PolarHBondContact O-N 2.95Å; D24-S26 VanDerWaalsContact OD1-CB 3.28Å; D24-S26 WeakPolarHBondContact OD1-CB 3.39Å; D24-S26 PolarHBondContact OD1-N 2.75Å; D24-S26 PolarHBondContact OD1-OG 3.49Å; D24-T27 HydrophobicContact CB-CG2 4.4Å; D24-T27 PolarHBondContact O-N 2.99Å; D24-T27 PolarHBondContact O-OG1 2.95Å
25	P	98.4	Very high	98	Very high	107 Å²	107	96 Å²	96	70%	0.695	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-51.4	-29.2	178.5	-28.7	35.6	0	0	0	114.8	T27 K28	P25-T27 VanDerWaalsContact C-N 3.26Å; P25-T27 PolarHBondContact O-N 2.84Å; P25-K28 WeakPolarHBondContact O-CB 3.44Å; P25-K28 PolarHBondContact O-N 2.89Å
26	S	98.3	Very high	98.1	Very high	86 Å²	86	97.7 Å²	97.7	60%	0.601	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-68.7	-19.1	176.9	63.4	0	0	0	0	114.3	D24	D24-S26 PolarHBondContact O-N 2.95Å; D24-S26 VanDerWaalsContact OD1-CB 3.28Å; D24-S26 WeakPolarHBondContact OD1-CB 3.39Å; D24-S26 PolarHBondContact OD1-N 2.75Å; D24-S26 PolarHBondContact OD1-OG 3.49Å
27	T	98.4	Very high	98.2	Very high	47 Å²	47	96 Å²	96	29%	0.288	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-97.1	4.4	178	71.7	0	0	0	0	112.8	D24 P25 D29 F30	D24-T27 HydrophobicContact CB-CG2 4.4Å; D24-T27 PolarHBondContact O-N 2.99Å; D24-T27 PolarHBondContact O-OG1 2.95Å; P25-T27 VanDerWaalsContact C-N 3.26Å; P25-T27 PolarHBondContact O-N 2.84Å; T27-D29 PolarHBondContact O-N 2.76Å; T27-F30 HydrophobicContact CG2-CD2 3.96Å; T27-F30 HydrophobicContact CG2-CE2 3.74Å; T27-F30 HydrophobicContact CG2-CZ 4.25Å; T27-F30 WeakPolarHBondContact O-CB 3.46Å; T27-F30 PolarHBondContact O-N 3.12Å
28	K	98.1	Very high	98.3	Very high	166 Å²	166	95.8 Å²	95.8	72%	0.722	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.1	-175.1	176.9	174.5	-75.8	-176	0	113.2	P25	P25-K28 WeakPolarHBondContact O-CB 3.44Å; P25-K28 PolarHBondContact O-N 2.89Å
29	D	98.2	Very high	98.4	Very high	146 Å²	146	91.3 Å²	91.3	78%	0.781	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	7.6	-177.5	-58	-55.6	0	0	0	113.1	T27	T27-D29 PolarHBondContact O-N 2.76Å
30	F	98.6	Very high	98.4	Very high	159 Å²	159	88.7 Å²	88.7	70%	0.697	49%	0.486	S	S	*	.			trans	-70.9	146.8	174.1	-72.2	10.3	0	0	0	110.5	T27	T27-F30 HydrophobicContact CG2-CD2 3.96Å; T27-F30 HydrophobicContact CG2-CE2 3.74Å; T27-F30 HydrophobicContact CG2-CZ 4.25Å; T27-F30 WeakPolarHBondContact O-CB 3.46Å; T27-F30 PolarHBondContact O-N 3.12Å
31	L	98.5	Very high	98.5	Very high	80 Å²	80	85 Å²	85	42%	0.419	46%	0.46	S	S	.	.			trans	-140	145.3	176.5	66.1	93.1	0	0	0	110.7	Q33 K96	L31-Q33 VanDerWaalsContact CD1-CA 3.49Å; L31-Q33 HydrophobicContact CD1-CB 3.45Å; L31-Q33 VanDerWaalsContact CD1-CB 3.45Å; L31-Q33 HydrophobicContact CD1-CG 3.76Å; L31-Q33 PolarHBondContact O-N 3.31Å; L31-Q33 VanDerWaalsContact O-N 3.09Å; L31-K96 HydrophobicContact CB-CG 4.4Å; L31-K96 HydrophobicContact CD1-CG 4.35Å
32	L	98.6	Very high	98.5	Very high	138 Å²	138	79.9 Å²	79.9	72%	0.723	42%	0.424	S	S	*	.			trans	-76.9	96.4	170.6	-177.3	61.3	0	0	0	109	A97	L32-A97 PolarHBondContact O-N 3.43Å
33	Q	98.6	Very high	98.5	Very high	22 Å²	22	78.5 Å²	78.5	10%	0.103	41%	0.41	C	S	.	.			trans	-83.6	-48.1	-167.1	-164.1	-74.5	-48.9	0	0	112.1	L31 A92 L93 R95 A97 T98	L31-Q33 VanDerWaalsContact CD1-CA 3.49Å; L31-Q33 HydrophobicContact CD1-CB 3.45Å; L31-Q33 VanDerWaalsContact CD1-CB 3.45Å; L31-Q33 HydrophobicContact CD1-CG 3.76Å; L31-Q33 PolarHBondContact O-N 3.31Å; L31-Q33 VanDerWaalsContact O-N 3.09Å; Q33-A92 PolarHBondContact NE2-O 3.31Å; Q33-L93 WeakPolarHBondContact CG-O 3.39Å; Q33-R95 WeakPolarHBondContact CG-O 3.45Å; Q33-R95 PolarHBondContact NE2-O 3.3Å; Q33-A97 PolarHBondContact O-N 2.79Å; Q33-T98 PolarHBondContact NE2-OG1 3.42Å; Q33-T98 WeakPolarHBondContact O-CB 2.81Å; Q33-T98 PolarHBondContact O-N 2.88Å; Q33-T98 PolarHBondContact O-OG1 3.08Å
34	Q	98.6	Very high	98.6	Very high	70 Å²	70	80.6 Å²	80.6	33%	0.327	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.9	-171.6	58.1	-160.2	-40.4	0	0	113.5	T98 E100	Q34-T98 VanDerWaalsContact CA-O 3.26Å; Q34-T98 WeakPolarHBondContact CA-O 3.14Å; Q34-T98 WeakPolarHBondContact CB-OG1 3.47Å; Q34-E100 HydrophobicContact CB-CB 4.46Å; Q34-E100 PolarHBondContact OE1-OE2 3.42Å
35	T	98.8	Very high	98.6	Very high	54 Å²	54	76 Å²	76	33%	0.331	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.4	152.5	-63.5	0	0	0	0	107.3	T98 L99 E100 I128	T35-T98 PolarHBondContact N-O 2.89Å; T35-L99 HydrophobicContact CG2-CD1 4.49Å; T35-L99 WeakPolarHBondContact O-CA 3.34Å; T35-L99 WeakPolarHBondContact O-CD1 3.36Å; T35-E100 PolarHBondContact O-N 3.12Å; T35-I128 HydrophobicContact CG2-CG2 4.02Å
36	M	98.7	Very high	98.6	Very high	68 Å²	68	72.8 Å²	72.8	34%	0.335	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.4	178.9	-172.8	-79.4	-122.3	0	0	110.5	R38 E100 T102	M36-R38 HydrophobicContact CE-CG 4.3Å; M36-R38 HydrophobicContact SD-CG 4.2Å; M36-E100 CarbonylContact C-O 3.6Å; M36-E100 VanDerWaalsContact CA-O 3.27Å; M36-E100 WeakPolarHBondContact CA-O 3.15Å; M36-E100 HydrophobicContact CB-CB 4.1Å; M36-E100 HydrophobicContact CB-CG 4.42Å; M36-E100 WeakPolarHBondContact CB-OE2 3.41Å; M36-E100 HydrophobicContact CG-CB 4.08Å; M36-E100 HydrophobicContact CG-CG 3.91Å; M36-E100 WeakPolarHBondContact CG-O 3.28Å; M36-E100 VanDerWaalsContact CG-OE2 3.3Å; M36-E100 WeakPolarHBondContact CG-OE2 3.25Å; M36-T102 HydrophobicContact CE-CG2 4.17Å; M36-T102 VanDerWaalsContact CE-OG1 3.24Å; M36-T102 WeakPolarHBondContact CE-OG1 3.15Å; M36-T102 WeakPolarHBondContact CG-OG1 3.4Å; M36-T102 PolarHBondContact SD-OG1 2.99Å; M36-T102 VanDerWaalsContact SD-OG1 3.4Å
37	L	98.8	Very high	98.7	Very high	8 Å²	8	71.9 Å²	71.9	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.5	172.4	-60.7	178.4	0	0	0	109.2	L99 E100 L101 T102 F125 Y170	L37-L99 HydrophobicContact CD1-CD1 3.98Å; L37-L99 HydrophobicContact CG-CD1 4.14Å; L37-E100 PolarHBondContact N-O 3.36Å; L37-L101 HydrophobicContact CB-CD2 4.31Å; L37-L101 CarbonylContact O-C 3.55Å; L37-L101 WeakPolarHBondContact O-CA 3.34Å; L37-T102 PolarHBondContact O-N 3.33Å; L37-F125 HydrophobicContact CD2-CD1 4.47Å; L37-F125 HydrophobicContact CD2-CE1 3.99Å; L37-F125 HydrophobicContact CD2-CE2 4.41Å; L37-F125 HydrophobicContact CD2-CZ 3.94Å; L37-Y170 HydrophobicContact CB-CD2 4.35Å; L37-Y170 HydrophobicContact CB-CE2 3.97Å; L37-Y170 HydrophobicContact CD1-CD1 4.47Å; L37-Y170 HydrophobicContact CD1-CD2 3.96Å; L37-Y170 HydrophobicContact CD1-CE2 4.39Å; L37-Y170 HydrophobicContact CD1-CG 4Å; L37-Y170 HydrophobicContact CD2-CD1 4.18Å; L37-Y170 HydrophobicContact CD2-CE1 4.04Å; L37-Y170 HydrophobicContact CD2-CG 4.5Å
38	R	98.9	Very high	98.7	Very high	118 Å²	118	70.4 Å²	70.4	45%	0.445	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.4	173.1	-70.2	176.8	175.4	72	1	109.3	M36 T102 Y115 Y170	M36-R38 HydrophobicContact CE-CG 4.3Å; M36-R38 HydrophobicContact SD-CG 4.2Å; R38-T102 CarbonylContact C-O 3.55Å; R38-T102 VanDerWaalsContact CA-O 3.28Å; R38-T102 WeakPolarHBondContact CA-O 3.24Å; R38-T102 HydrophobicContact CG-CG2 4.37Å; R38-Y115 HydrophobicContact CB-CD1 3.75Å; R38-Y115 HydrophobicContact CB-CD2 3.93Å; R38-Y115 HydrophobicContact CB-CE1 3.53Å; R38-Y115 HydrophobicContact CB-CE2 3.74Å; R38-Y115 HydrophobicContact CB-CG 3.94Å; R38-Y115 HydrophobicContact CG-CE1 4.16Å; R38-Y115 WeakPolarHBondContact O-CD2 3.32Å; R38-Y170 VanDerWaalsContact O-CE2 3.28Å; R38-Y170 WeakPolarHBondContact O-CE2 3.42Å; R38-Y170 PolarHBondContact O-OH 2.81Å
39	V	98.9	Very high	98.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.5	-179.9	-64.7	0	0	0	0	111.2	S45 L101 T102 H103 Y115 D168	V39-S45 WeakPolarHBondContact CB-OG 3.36Å; V39-L101 HydrophobicContact CG1-CB 4.01Å; V39-L101 HydrophobicContact CG1-CD1 4.26Å; V39-L101 HydrophobicContact CG1-CD2 3.75Å; V39-L101 HydrophobicContact CG1-CG 4.22Å; V39-L101 HydrophobicContact CG2-CB 4Å; V39-T102 PolarHBondContact N-O 3Å; V39-H103 HydrophobicContact CG2-CB 4.22Å; V39-Y115 WeakPolarHBondContact O-CE2 3.14Å; V39-D168 WeakPolarHBondContact CA-OD2 3.48Å; V39-D168 WeakPolarHBondContact CB-OD2 3.48Å
40	K	98.8	Very high	98.8	Very high	42 Å²	42	58.1 Å²	58.1	18%	0.183	28%	0.278	C	S	.	.	S	Bend	trans	-74.3	-47	-179.6	175.5	-179.9	-179.8	65.8	0	111.7	T107 E108 D110 Q113 Y115 D168	K40-T107 WeakPolarHBondContact CG-O 3.35Å; K40-T107 PolarHBondContact NZ-O 3.01Å; K40-T107 CarbonylContact O-C 3.59Å; K40-T107 PolarHBondContact O-OG1 2.92Å; K40-E108 WeakPolarHBondContact O-CA 3.31Å; K40-E108 PolarHBondContact O-N 3.12Å; K40-E108 VanDerWaalsContact O-N 3.12Å; K40-D110 PolarHBondContact NZ-O 3.11Å; K40-Q113 WeakPolarHBondContact CE-O 3.12Å; K40-Q113 PolarHBondContact NZ-O 3.06Å; K40-Y115 HydrophobicContact CB-CE2 4.49Å; K40-D168 WeakPolarHBondContact CB-OD1 3.32Å; K40-D168 PolarHBondContact N-OD1 3.44Å; K40-D168 PolarHBondContact N-OD2 2.78Å
41	D	98.7	Very high	98.8	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.091	27%	0.266	C	S	.	.			trans	-134.1	103.9	-177.4	-176.7	-0.9	0	0	0	110.1	K43 K44 S45 E108	D41-K43 PolarHBondContact O-N 3.3Å; D41-K43 VanDerWaalsContact OD1-CB 3.27Å; D41-K43 WeakPolarHBondContact OD1-CB 3.31Å; D41-K43 WeakPolarHBondContact OD1-CG 3.46Å; D41-K43 PolarHBondContact OD1-N 2.96Å; D41-K43 IonicContact OD1-NZ 3.49Å; D41-K43 PolarHBondContact OD1-NZ 2.88Å; D41-K43 IonicContact OD2-NZ 2.75Å; D41-K43 PolarHBondContact OD2-NZ 2.85Å; D41-K44 HydrophobicContact CB-CB 4.46Å; D41-K44 HydrophobicContact CB-CD 4.24Å; D41-K44 HydrophobicContact CB-CG 4.24Å; D41-K44 PolarHBondContact O-N 2.55Å; D41-S45 PolarHBondContact O-N 3.25Å; D41-S45 VanDerWaalsContact O-N 3.12Å; D41-S45 PolarHBondContact O-OG 2.81Å; D41-E108 HydrophobicContact CB-CB 3.9Å
42	P	98.7	Very high	98.8	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-22.4	-178.9	25.7	-35	0	0	0	112.3	L46 Y71 H103	P42-L46 WeakPolarHBondContact O-CB 3.48Å; P42-L46 WeakPolarHBondContact O-CD1 3.27Å; P42-L46 WeakPolarHBondContact O-CG 3.24Å; P42-L46 PolarHBondContact O-N 2.88Å; P42-Y71 HydrophobicContact CB-CD2 4.17Å; P42-Y71 HydrophobicContact CB-CE1 4.27Å; P42-Y71 HydrophobicContact CB-CE2 3.6Å; P42-Y71 HydrophobicContact CG-CE2 4.1Å; P42-H103 HydrophobicContact CG-CB 4.29Å
43	K	98.8	Very high	98.8	Very high	134 Å²	134	46.6 Å²	46.6	58%	0.583	22%	0.216	S	C	*	.	H	α-helix	trans	-63.2	-45.2	175.5	-60.9	-177.6	-62.2	-60.3	0	111	D41 D47	D41-K43 PolarHBondContact O-N 3.3Å; D41-K43 VanDerWaalsContact OD1-CB 3.27Å; D41-K43 WeakPolarHBondContact OD1-CB 3.31Å; D41-K43 WeakPolarHBondContact OD1-CG 3.46Å; D41-K43 PolarHBondContact OD1-N 2.96Å; D41-K43 IonicContact OD1-NZ 3.49Å; D41-K43 PolarHBondContact OD1-NZ 2.88Å; D41-K43 IonicContact OD2-NZ 2.75Å; D41-K43 PolarHBondContact OD2-NZ 2.85Å; K43-D47 WeakPolarHBondContact O-CB 3.5Å; K43-D47 PolarHBondContact O-N 2.69Å
44	K	98.8	Very high	98.8	Very high	127 Å²	127	47.7 Å²	47.7	55%	0.552	23%	0.234	S	C	*	.	H	α-helix	trans	-70.1	-45.5	178.3	-64.1	-179.4	-176.2	177.2	0	110.7	D41 D47 F48 P167	D41-K44 HydrophobicContact CB-CB 4.46Å; D41-K44 HydrophobicContact CB-CD 4.24Å; D41-K44 HydrophobicContact CB-CG 4.24Å; D41-K44 PolarHBondContact O-N 2.55Å; K44-D47 PolarHBondContact O-N 2.68Å; K44-F48 WeakPolarHBondContact O-CB 3.47Å; K44-F48 PolarHBondContact O-N 2.97Å; K44-P167 HydrophobicContact CB-CB 3.83Å; K44-P167 HydrophobicContact CB-CG 4.02Å
45	S	98.9	Very high	98.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.7	-44.4	-176.7	-42.3	0	0	0	0	111.3	V39 D41 D47 F48 Y49 D168	V39-S45 WeakPolarHBondContact CB-OG 3.36Å; D41-S45 PolarHBondContact O-N 3.25Å; D41-S45 VanDerWaalsContact O-N 3.12Å; D41-S45 PolarHBondContact O-OG 2.81Å; S45-D47 PolarHBondContact O-N 2.64Å; S45-F48 PolarHBondContact O-N 3.47Å; S45-Y49 WeakPolarHBondContact O-CD2 3.27Å; S45-Y49 PolarHBondContact O-N 3.4Å; S45-D168 PolarHBondContact OG-OD2 2.89Å
46	L	98.9	Very high	98.8	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.199	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-46.1	175.8	-71.4	171.9	0	0	0	111.7	P42 F48 T50 L57 Y71 L73	P42-L46 WeakPolarHBondContact O-CB 3.48Å; P42-L46 WeakPolarHBondContact O-CD1 3.27Å; P42-L46 WeakPolarHBondContact O-CG 3.24Å; P42-L46 PolarHBondContact O-N 2.88Å; L46-F48 VanDerWaalsContact C-N 3.34Å; L46-F48 PolarHBondContact O-N 2.91Å; L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.41Å; L46-T50 VanDerWaalsContact O-CG2 3.27Å; L46-T50 WeakPolarHBondContact O-CG2 3.46Å; L46-T50 PolarHBondContact O-N 3.03Å; L46-T50 PolarHBondContact O-OG1 2.97Å; L46-L57 HydrophobicContact CD2-CD1 4Å; L46-L57 HydrophobicContact CD2-CD2 4.31Å; L46-Y71 HydrophobicContact CD1-CD1 3.85Å; L46-Y71 HydrophobicContact CD1-CE1 3.86Å; L46-Y71 HydrophobicContact CD2-CD1 4.06Å; L46-Y71 HydrophobicContact CD2-CG 4.43Å; L46-Y71 HydrophobicContact CG-CD1 4.33Å; L46-L73 HydrophobicContact CD2-CD1 4.1Å; L46-L73 HydrophobicContact CD2-CD2 4.3Å
47	D	98.9	Very high	98.8	Very high	68 Å²	68	44 Å²	44	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-47.2	175.7	175.6	67.9	0	0	0	111.1	K43 K44 S45 R51	K43-D47 WeakPolarHBondContact O-CB 3.5Å; K43-D47 PolarHBondContact O-N 2.69Å; K44-D47 PolarHBondContact O-N 2.68Å; S45-D47 PolarHBondContact O-N 2.64Å; D47-R51 WeakPolarHBondContact O-CA 3.29Å; D47-R51 WeakPolarHBondContact O-CB 3.29Å; D47-R51 PolarHBondContact O-N 3.06Å; D47-R51 WeakPolarHBondContact OD1-CD 3.28Å; D47-R51 IonicContact OD1-CZ 2.68Å; D47-R51 IonicContact OD1-NE 3.67Å; D47-R51 PolarHBondContact OD1-NE 2.84Å; D47-R51 IonicContact OD1-NH2 3.3Å; D47-R51 IonicContact OD2-CZ 3.25Å; D47-R51 IonicContact OD2-NE 2.64Å; D47-R51 PolarHBondContact OD2-NE 3.3Å; D47-R51 IonicContact OD2-NH2 2.88Å; D47-R51 PolarHBondContact OD2-NH2 3.38Å
48	F	98.9	Very high	98.8	Very high	16 Å²	16	43.6 Å²	43.6	7%	0.07	21%	0.214	C	C	.	.	I	π-helix	trans	-59.8	-57.9	178.7	180	-94.4	0	0	0	112.1	K44 S45 L46 T50 V52 L53 V147 I164 Q165 D166 P167 I172	K44-F48 WeakPolarHBondContact O-CB 3.47Å; K44-F48 PolarHBondContact O-N 2.97Å; S45-F48 PolarHBondContact O-N 3.47Å; L46-F48 VanDerWaalsContact C-N 3.34Å; L46-F48 PolarHBondContact O-N 2.91Å; F48-T50 VanDerWaalsContact C-N 3.31Å; F48-T50 PolarHBondContact O-N 2.85Å; F48-V52 HydrophobicContact CD2-CB 4.15Å; F48-V52 HydrophobicContact CD2-CG1 4.43Å; F48-V52 HydrophobicContact CD2-CG2 4.01Å; F48-V52 HydrophobicContact CE2-CB 4.38Å; F48-V52 HydrophobicContact CE2-CG1 4.19Å; F48-V52 VanDerWaalsContact O-CA 3.32Å; F48-V52 WeakPolarHBondContact O-CA 3.12Å; F48-V52 WeakPolarHBondContact O-CB 3.37Å; F48-V52 PolarHBondContact O-N 3.08Å; F48-L53 HydrophobicContact CD1-CD1 4.1Å; F48-L53 HydrophobicContact CE1-CD1 3.46Å; F48-L53 VanDerWaalsContact CE1-CD1 3.46Å; F48-L53 HydrophobicContact CE1-CG 4.08Å; F48-L53 HydrophobicContact CZ-CD1 4.14Å; F48-L53 HydrophobicContact CZ-CG 4.45Å; F48-L53 PolarHBondContact O-N 3.29Å; F48-L53 VanDerWaalsContact O-N 3.11Å; F48-V147 HydrophobicContact CE2-CG1 4.24Å; F48-V147 HydrophobicContact CE2-CG2 4.45Å; F48-I164 HydrophobicContact CZ-CD1 4.06Å; F48-Q165 WeakPolarHBondContact CZ-O 3.49Å; F48-D166 HydrophobicContact CD1-CB 3.93Å; F48-D166 HydrophobicContact CE1-CB 3.61Å; F48-D166 HydrophobicContact CZ-CB 4.12Å; F48-P167 HydrophobicContact CB-CG 3.72Å; F48-P167 HydrophobicContact CD2-CG 4.4Å; F48-P167 HydrophobicContact CG-CG 4.07Å; F48-I172 HydrophobicContact CE1-CD1 3.72Å; F48-I172 HydrophobicContact CZ-CD1 4.22Å
49	Y	98.9	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-67.2	-31.3	-174.7	-75.4	-72.7	0	0	0	113	S45 L53 G54 M55 L73 L99 L101 I128 D166 I172	S45-Y49 WeakPolarHBondContact O-CD2 3.27Å; S45-Y49 PolarHBondContact O-N 3.4Å; Y49-L53 HydrophobicContact CD1-CD1 3.66Å; Y49-L53 HydrophobicContact CE1-CD1 3.9Å; Y49-L53 CarbonylContact O-C 3.58Å; Y49-L53 WeakPolarHBondContact O-CB 3.37Å; Y49-G54 PolarHBondContact O-N 3.06Å; Y49-M55 HydrophobicContact CD1-SD 3.73Å; Y49-M55 HydrophobicContact CG-SD 4.39Å; Y49-M55 WeakPolarHBondContact O-CB 3.3Å; Y49-M55 PolarHBondContact O-N 3.17Å; Y49-L73 HydrophobicContact CG-CD2 4.16Å; Y49-L99 HydrophobicContact CD1-CD2 3.84Å; Y49-L99 HydrophobicContact CD2-CD2 4.34Å; Y49-L99 HydrophobicContact CE1-CD2 3.35Å; Y49-L99 HydrophobicContact CE2-CD2 3.93Å; Y49-L99 HydrophobicContact CG-CD2 4.32Å; Y49-L99 VanDerWaalsContact CZ-CD2 3.4Å; Y49-L101 HydrophobicContact CD2-CD1 3.69Å; Y49-L101 HydrophobicContact CE2-CD1 3.9Å; Y49-L101 HydrophobicContact CE2-CD2 4.05Å; Y49-I128 HydrophobicContact CE1-CD1 4.28Å; Y49-D166 HydrophobicContact CE2-CB 4.38Å; Y49-D166 PolarHBondContact OH-OD2 3.4Å; Y49-I172 HydrophobicContact CE1-CD1 3.9Å
50	T	98.8	Very high	98.7	Very high	54 Å²	54	42.8 Å²	42.8	33%	0.331	21%	0.214	S	C	.	.	I	π-helix	trans	-84.7	-55.9	178.3	63.7	0	0	0	0	112.4	L46 F48 G54 M55 L73	L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.41Å; L46-T50 VanDerWaalsContact O-CG2 3.27Å; L46-T50 WeakPolarHBondContact O-CG2 3.46Å; L46-T50 PolarHBondContact O-N 3.03Å; L46-T50 PolarHBondContact O-OG1 2.97Å; F48-T50 VanDerWaalsContact C-N 3.31Å; F48-T50 PolarHBondContact O-N 2.85Å; T50-G54 WeakPolarHBondContact O-CA 3.1Å; T50-G54 PolarHBondContact O-N 3.12Å; T50-M55 WeakPolarHBondContact CA-O 3.46Å; T50-M55 WeakPolarHBondContact CG2-O 3.5Å; T50-L73 HydrophobicContact CG2-CD2 4.19Å
51	R	98.7	Very high	98.6	Very high	117 Å²	117	42 Å²	42	44%	0.442	21%	0.214	S	C	.	.	I	π-helix	trans	-75.9	-43.9	-176	-174.4	179.8	57.7	77.5	3.2	112.6	D47 R141	D47-R51 WeakPolarHBondContact O-CA 3.29Å; D47-R51 WeakPolarHBondContact O-CB 3.29Å; D47-R51 PolarHBondContact O-N 3.06Å; D47-R51 WeakPolarHBondContact OD1-CD 3.28Å; D47-R51 IonicContact OD1-CZ 2.68Å; D47-R51 IonicContact OD1-NE 3.67Å; D47-R51 PolarHBondContact OD1-NE 2.84Å; D47-R51 IonicContact OD1-NH2 3.3Å; D47-R51 IonicContact OD2-CZ 3.25Å; D47-R51 IonicContact OD2-NE 2.64Å; D47-R51 PolarHBondContact OD2-NE 3.3Å; D47-R51 IonicContact OD2-NH2 2.88Å; D47-R51 PolarHBondContact OD2-NH2 3.38Å; R51-R141 PolarHBondContact O-NH2 3.45Å
52	V	98.7	Very high	98.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	23%	0.229	C	C	.	.	I	π-helix	trans	-79.7	-48.8	-178.7	-177	0	0	0	0	110.2	F48 R141 F142 L145 V147	F48-V52 HydrophobicContact CD2-CB 4.15Å; F48-V52 HydrophobicContact CD2-CG1 4.43Å; F48-V52 HydrophobicContact CD2-CG2 4.01Å; F48-V52 HydrophobicContact CE2-CB 4.38Å; F48-V52 HydrophobicContact CE2-CG1 4.19Å; F48-V52 VanDerWaalsContact O-CA 3.32Å; F48-V52 WeakPolarHBondContact O-CA 3.12Å; F48-V52 WeakPolarHBondContact O-CB 3.37Å; F48-V52 PolarHBondContact O-N 3.08Å; V52-R141 PolarHBondContact O-NH1 2.82Å; V52-R141 PolarHBondContact O-NH2 2.74Å; V52-F142 HydrophobicContact CG1-CD1 3.81Å; V52-F142 HydrophobicContact CG1-CE1 4.02Å; V52-L145 HydrophobicContact CG1-CD1 4.35Å; V52-L145 HydrophobicContact CG2-CD1 4.42Å; V52-V147 HydrophobicContact CG1-CG2 3.52Å; V52-V147 HydrophobicContact CG2-CG2 4.42Å
53	L	98.8	Very high	98.6	Very high	13 Å²	13	48 Å²	48	7%	0.068	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-11.9	-172.8	-64.2	176.9	0	0	0	114.9	F48 Y49 M55 Y75 I130 F142 I164 I172	F48-L53 HydrophobicContact CD1-CD1 4.1Å; F48-L53 HydrophobicContact CE1-CD1 3.46Å; F48-L53 VanDerWaalsContact CE1-CD1 3.46Å; F48-L53 HydrophobicContact CE1-CG 4.08Å; F48-L53 HydrophobicContact CZ-CD1 4.14Å; F48-L53 HydrophobicContact CZ-CG 4.45Å; F48-L53 PolarHBondContact O-N 3.29Å; F48-L53 VanDerWaalsContact O-N 3.11Å; Y49-L53 HydrophobicContact CD1-CD1 3.66Å; Y49-L53 HydrophobicContact CE1-CD1 3.9Å; Y49-L53 CarbonylContact O-C 3.58Å; Y49-L53 WeakPolarHBondContact O-CB 3.37Å; L53-M55 HydrophobicContact CB-CG 4.47Å; L53-Y75 WeakPolarHBondContact O-CE1 3.17Å; L53-Y75 PolarHBondContact O-OH 2.95Å; L53-I130 HydrophobicContact CD1-CD1 3.79Å; L53-I130 HydrophobicContact CD2-CD1 4.11Å; L53-I130 HydrophobicContact CG-CD1 4.37Å; L53-F142 HydrophobicContact CD2-CE1 3.95Å; L53-F142 HydrophobicContact CD2-CZ 3.85Å; L53-I164 HydrophobicContact CD2-CD1 4.08Å; L53-I172 HydrophobicContact CD1-CD1 3.76Å
54	G	98.6	Very high	98.5	Very high	46 Å²	46	45.6 Å²	45.6	47%	0.474	24%	0.24	S	C	.	.			trans	78.5	17.8	176.3	0	0	0	0	0	114.4	Y49 T50	Y49-G54 PolarHBondContact O-N 3.06Å; T50-G54 WeakPolarHBondContact O-CA 3.1Å; T50-G54 PolarHBondContact O-N 3.12Å
55	M	98.8	Very high	98.5	Very high	19 Å²	19	47.7 Å²	47.7	9%	0.094	26%	0.256	C	S	.	.			trans	-76.8	161.1	173.8	-56.6	-175.9	86.8	0	0	111.1	Y49 T50 L53 L73 Y75 L99	Y49-M55 HydrophobicContact CD1-SD 3.73Å; Y49-M55 HydrophobicContact CG-SD 4.39Å; Y49-M55 WeakPolarHBondContact O-CB 3.3Å; Y49-M55 PolarHBondContact O-N 3.17Å; T50-M55 WeakPolarHBondContact CA-O 3.46Å; T50-M55 WeakPolarHBondContact CG2-O 3.5Å; L53-M55 HydrophobicContact CB-CG 4.47Å; M55-L73 HydrophobicContact CB-CB 4.27Å; M55-L73 HydrophobicContact CB-CD2 4.38Å; M55-L73 HydrophobicContact CE-CB 4.23Å; M55-L73 HydrophobicContact SD-CB 4.34Å; M55-Y75 HydrophobicContact CG-CD1 4.35Å; M55-Y75 HydrophobicContact CG-CD2 4.47Å; M55-Y75 HydrophobicContact CG-CE1 3.99Å; M55-Y75 HydrophobicContact CG-CE2 4.13Å; M55-L99 HydrophobicContact CE-CB 4.36Å
56	T	98.8	Very high	98.4	Very high	32 Å²	32	53.3 Å²	53.3	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.1	176.6	-60.8	0	0	0	0	109.5	I58 L73 A74 E76 K78 I81	T56-I58 HydrophobicContact CG2-CG2 4.35Å; T56-I58 PolarHBondContact O-N 2.85Å; T56-I58 VanDerWaalsContact O-N 3.15Å; T56-L73 VanDerWaalsContact O-CA 3.28Å; T56-L73 WeakPolarHBondContact O-CA 3.32Å; T56-A74 PolarHBondContact N-O 3.28Å; T56-A74 PolarHBondContact O-N 3.15Å; T56-E76 WeakPolarHBondContact CB-O 3.4Å; T56-E76 PolarHBondContact OG1-O 3.47Å; T56-K78 HydrophobicContact CG2-CB 3.96Å; T56-I81 HydrophobicContact CG2-CD1 3.91Å
57	L	98.8	Very high	98.4	Very high	63 Å²	63	58.3 Å²	58.3	33%	0.33	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	105.5	166.9	175.5	66	0	0	0	108.7	L46 Q59 Y71 L73	L46-L57 HydrophobicContact CD2-CD1 4Å; L46-L57 HydrophobicContact CD2-CD2 4.31Å; L57-Q59 WeakPolarHBondContact CD1-O 3.27Å; L57-Y71 HydrophobicContact CD1-CD1 4.21Å; L57-L73 HydrophobicContact CD1-CD1 4.29Å
58	I	98.5	Very high	98.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-28.5	-176.2	55.9	165.2	0	0	0	112.8	T56 F72 A74 E76 I81 K88 W91 A92 R95 T98	T56-I58 HydrophobicContact CG2-CG2 4.35Å; T56-I58 PolarHBondContact O-N 2.85Å; T56-I58 VanDerWaalsContact O-N 3.15Å; I58-F72 HydrophobicContact CD1-CB 4.12Å; I58-F72 HydrophobicContact CG1-CB 3.67Å; I58-F72 WeakPolarHBondContact CG1-O 3.44Å; I58-F72 PolarHBondContact N-O 3.09Å; I58-A74 HydrophobicContact CD1-CB 3.97Å; I58-A74 HydrophobicContact CG1-CB 4.49Å; I58-A74 HydrophobicContact CG2-CB 4.25Å; I58-E76 HydrophobicContact CG2-CB 4.13Å; I58-E76 HydrophobicContact CG2-CG 4.38Å; I58-I81 HydrophobicContact CG2-CD1 4.26Å; I58-K88 WeakPolarHBondContact O-CE 3.49Å; I58-W91 HydrophobicContact CB-CZ3 3.83Å; I58-W91 HydrophobicContact CG2-CH2 4.04Å; I58-W91 HydrophobicContact CG2-CZ3 3.75Å; I58-A92 HydrophobicContact CD1-CB 3.95Å; I58-A92 HydrophobicContact CG1-CB 4.37Å; I58-R95 HydrophobicContact CD1-CG 4.29Å; I58-T98 HydrophobicContact CD1-CG2 3.87Å
59	Q	98	Very high	98.4	Very high	17 Å²	17	56.2 Å²	56.2	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	148.5	176.3	-178.7	60.8	-19.7	0	0	112.5	L57 F72 A92	L57-Q59 WeakPolarHBondContact CD1-O 3.27Å; Q59-F72 HydrophobicContact CB-CB 4.17Å; Q59-F72 HydrophobicContact CB-CD2 4.17Å; Q59-F72 HydrophobicContact CB-CG 4.47Å; Q59-F72 HydrophobicContact CG-CD2 4.39Å; Q59-F72 PolarHBondContact N-O 2.78Å; Q59-F72 PolarHBondContact O-N 3.05Å; Q59-A92 HydrophobicContact CB-CB 3.84Å
60	K	98.2	Very high	98.4	Very high	83 Å²	83	57 Å²	57	36%	0.361	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.5	167.6	179.8	179.1	-177.1	-78.3	0	109.5	D62 L70 Y71	K60-D62 IonicContact NZ-OD1 3.31Å; K60-D62 PolarHBondContact NZ-OD1 2.95Å; K60-D62 IonicContact NZ-OD2 3.88Å; K60-D62 PolarHBondContact NZ-OD2 2.89Å; K60-L70 CarbonylContact C-O 3.51Å; K60-L70 VanDerWaalsContact CA-O 3.28Å; K60-L70 WeakPolarHBondContact CA-O 3.29Å; K60-Y71 HydrophobicContact CB-CD1 4.43Å; K60-Y71 HydrophobicContact CD-CD1 4.1Å; K60-Y71 HydrophobicContact CD-CE1 3.55Å; K60-Y71 VanDerWaalsContact CE-CE1 3.45Å; K60-Y71 WeakPolarHBondContact CE-OH 3.42Å; K60-Y71 HydrophobicContact CG-CD1 4.05Å; K60-Y71 HydrophobicContact CG-CE1 3.91Å
61	C	97.2	Very high	98.4	Very high	27 Å²	27	55.6 Å²	55.6	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.2	176.9	-62.6	0	0	0	0	109.6	F63 S69 L70	C61-F63 HydrophobicContact CB-CE2 3.79Å; C61-F63 HydrophobicContact CB-CZ 4.3Å; C61-S69 CarbonylContact O-C 3.54Å; C61-S69 VanDerWaalsContact O-CA 3.27Å; C61-S69 WeakPolarHBondContact O-CA 3.28Å; C61-L70 HydrophobicContact CB-CB 4.3Å; C61-L70 PolarHBondContact N-O 3.23Å; C61-L70 PolarHBondContact O-N 2.97Å
62	D	98.2	Very high	98.4	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.4	177.8	-64.4	-44.7	0	0	0	110.8	K60 P64 S69 W105	K60-D62 IonicContact NZ-OD1 3.31Å; K60-D62 PolarHBondContact NZ-OD1 2.95Å; K60-D62 IonicContact NZ-OD2 3.88Å; K60-D62 PolarHBondContact NZ-OD2 2.89Å; D62-P64 WeakPolarHBondContact O-CD 3.47Å; D62-S69 WeakPolarHBondContact OD1-CB 3.42Å; D62-S69 PolarHBondContact OD1-OG 3.4Å; D62-W105 HydrophobicContact CB-CZ2 4.39Å
63	F	98.1	Very high	98.4	Very high	72 Å²	72	50.2 Å²	50.2	32%	0.316	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	77.6	177	-62.3	-92.3	0	0	0	110.3	C61 I65 M66 K67 F68 L70	C61-F63 HydrophobicContact CB-CE2 3.79Å; C61-F63 HydrophobicContact CB-CZ 4.3Å; F63-I65 VanDerWaalsContact C-N 3.31Å; F63-I65 PolarHBondContact O-N 2.83Å; F63-M66 HydrophobicContact CB-CB 4.28Å; F63-M66 HydrophobicContact CB-CE 3.8Å; F63-M66 HydrophobicContact CD1-CE 3.46Å; F63-M66 VanDerWaalsContact CD1-CE 3.46Å; F63-M66 HydrophobicContact CE1-CE 4.28Å; F63-M66 HydrophobicContact CG-CE 3.84Å; F63-M66 CarbonylContact O-C 3.59Å; F63-M66 PolarHBondContact O-N 2.94Å; F63-K67 PolarHBondContact O-N 3.42Å; F63-F68 HydrophobicContact CB-CD1 4.05Å; F63-F68 HydrophobicContact CB-CD2 4.5Å; F63-F68 HydrophobicContact CB-CE1 3.77Å; F63-F68 HydrophobicContact CB-CE2 4.22Å; F63-F68 HydrophobicContact CB-CG 4.41Å; F63-F68 HydrophobicContact CB-CZ 3.84Å; F63-F68 HydrophobicContact CD1-CZ 4.17Å; F63-F68 AromaticContact CD2-CD2 3.83Å; F63-F68 HydrophobicContact CD2-CD2 3.83Å; F63-F68 HydrophobicContact CD2-CE1 4.22Å; F63-F68 AromaticContact CD2-CE2 3.19Å; F63-F68 HydrophobicContact CD2-CE2 3.19Å; F63-F68 AromaticContact CD2-CZ 3.42Å; F63-F68 HydrophobicContact CD2-CZ 3.42Å; F63-F68 VanDerWaalsContact CD2-CZ 3.42Å; F63-F68 AromaticContact CE2-CE2 3.64Å; F63-F68 HydrophobicContact CE2-CE2 3.64Å; F63-F68 AromaticContact CE2-CZ 3.96Å; F63-F68 HydrophobicContact CE2-CZ 3.96Å; F63-F68 HydrophobicContact CG-CD2 4.48Å; F63-F68 AromaticContact CG-CE1 4Å; F63-F68 HydrophobicContact CG-CE1 4Å; F63-F68 AromaticContact CG-CE2 3.82Å; F63-F68 HydrophobicContact CG-CE2 3.82Å; F63-F68 AromaticContact CG-CZ 3.54Å; F63-F68 HydrophobicContact CG-CZ 3.54Å; F63-F68 PolarHBondContact N-O 3.02Å; F63-L70 HydrophobicContact CD2-CG 4.5Å; F63-L70 HydrophobicContact CE2-CD1 3.73Å; F63-L70 HydrophobicContact CE2-CG 3.95Å; F63-L70 HydrophobicContact CZ-CD1 4.35Å
64	P	98	Very high	98.4	Very high	85 Å²	85	49.7 Å²	49.7	55%	0.552	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.5	-170.4	-25	33.7	0	0	0	115.3	D62 M66 K67 W105	D62-P64 WeakPolarHBondContact O-CD 3.47Å; P64-M66 VanDerWaalsContact C-N 3.28Å; P64-M66 PolarHBondContact O-N 3.29Å; P64-K67 PolarHBondContact O-N 2.76Å; P64-W105 VanDerWaalsContact CA-CH2 3.44Å; P64-W105 HydrophobicContact CB-CH2 3.83Å; P64-W105 HydrophobicContact CB-CZ3 4.22Å; P64-W105 HydrophobicContact CG-CH2 4.02Å
65	I	97.8	Very high	98.4	Very high	171 Å²	171	53.5 Å²	53.5	88%	0.877	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-37.2	177.8	-61.4	174.1	0	0	0	110.7	F63	F63-I65 VanDerWaalsContact C-N 3.31Å; F63-I65 PolarHBondContact O-N 2.83Å
66	M	97.7	Very high	98.4	Very high	118 Å²	118	55 Å²	55	58%	0.581	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.4	-178.5	-62.6	-173.4	-73.6	0	0	113.3	F63 P64 F68	F63-M66 HydrophobicContact CB-CB 4.28Å; F63-M66 HydrophobicContact CB-CE 3.8Å; F63-M66 HydrophobicContact CD1-CE 3.46Å; F63-M66 VanDerWaalsContact CD1-CE 3.46Å; F63-M66 HydrophobicContact CE1-CE 4.28Å; F63-M66 HydrophobicContact CG-CE 3.84Å; F63-M66 CarbonylContact O-C 3.59Å; F63-M66 PolarHBondContact O-N 2.94Å; P64-M66 VanDerWaalsContact C-N 3.28Å; P64-M66 PolarHBondContact O-N 3.29Å; M66-F68 HydrophobicContact CB-CD1 3.55Å; M66-F68 HydrophobicContact CB-CE1 3.49Å; M66-F68 VanDerWaalsContact CB-CE1 3.49Å; M66-F68 HydrophobicContact CE-CE1 3.48Å; M66-F68 VanDerWaalsContact CE-CE1 3.48Å; M66-F68 HydrophobicContact CE-CZ 3.79Å; M66-F68 HydrophobicContact CG-CE1 4.25Å; M66-F68 PolarHBondContact O-N 2.83Å; M66-F68 HydrophobicContact SD-CE1 3.84Å
67	K	98.3	Very high	98.3	Very high	142 Å²	142	57.2 Å²	57.2	62%	0.617	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	47.1	178.9	-59.9	-176.1	176.8	-178.9	0	114.2	F63 P64 W105	F63-K67 PolarHBondContact O-N 3.42Å; P64-K67 PolarHBondContact O-N 2.76Å; K67-W105 HydrophobicContact CB-CB 4.37Å; K67-W105 HydrophobicContact CB-CD2 4.29Å; K67-W105 HydrophobicContact CB-CE3 4Å; K67-W105 HydrophobicContact CB-CG 4.47Å; K67-W105 HydrophobicContact CG-CE3 4.19Å; K67-W105 PolarHBondContact O-N 2.89Å
68	F	98.6	Very high	98.3	Very high	38 Å²	38	61.2 Å²	61.2	17%	0.167	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	160.8	168.8	75.4	-92	0	0	0	112.5	F63 M66 L70 T102 H103	F63-F68 HydrophobicContact CB-CD1 4.05Å; F63-F68 HydrophobicContact CB-CD2 4.5Å; F63-F68 HydrophobicContact CB-CE1 3.77Å; F63-F68 HydrophobicContact CB-CE2 4.22Å; F63-F68 HydrophobicContact CB-CG 4.41Å; F63-F68 HydrophobicContact CB-CZ 3.84Å; F63-F68 HydrophobicContact CD1-CZ 4.17Å; F63-F68 AromaticContact CD2-CD2 3.83Å; F63-F68 HydrophobicContact CD2-CD2 3.83Å; F63-F68 HydrophobicContact CD2-CE1 4.22Å; F63-F68 AromaticContact CD2-CE2 3.19Å; F63-F68 HydrophobicContact CD2-CE2 3.19Å; F63-F68 AromaticContact CD2-CZ 3.42Å; F63-F68 HydrophobicContact CD2-CZ 3.42Å; F63-F68 VanDerWaalsContact CD2-CZ 3.42Å; F63-F68 AromaticContact CE2-CE2 3.64Å; F63-F68 HydrophobicContact CE2-CE2 3.64Å; F63-F68 AromaticContact CE2-CZ 3.96Å; F63-F68 HydrophobicContact CE2-CZ 3.96Å; F63-F68 HydrophobicContact CG-CD2 4.48Å; F63-F68 AromaticContact CG-CE1 4Å; F63-F68 HydrophobicContact CG-CE1 4Å; F63-F68 AromaticContact CG-CE2 3.82Å; F63-F68 HydrophobicContact CG-CE2 3.82Å; F63-F68 AromaticContact CG-CZ 3.54Å; F63-F68 HydrophobicContact CG-CZ 3.54Å; F63-F68 PolarHBondContact N-O 3.02Å; M66-F68 HydrophobicContact CB-CD1 3.55Å; M66-F68 HydrophobicContact CB-CE1 3.49Å; M66-F68 VanDerWaalsContact CB-CE1 3.49Å; M66-F68 HydrophobicContact CE-CE1 3.48Å; M66-F68 VanDerWaalsContact CE-CE1 3.48Å; M66-F68 HydrophobicContact CE-CZ 3.79Å; M66-F68 HydrophobicContact CG-CE1 4.25Å; M66-F68 PolarHBondContact O-N 2.83Å; M66-F68 HydrophobicContact SD-CE1 3.84Å; F68-L70 HydrophobicContact CD2-CD2 3.73Å; F68-L70 HydrophobicContact CD2-CG 4.09Å; F68-L70 HydrophobicContact CE2-CD1 4.16Å; F68-L70 HydrophobicContact CE2-CD2 3.61Å; F68-L70 HydrophobicContact CE2-CG 3.74Å; F68-T102 HydrophobicContact CD2-CG2 4.44Å; F68-H103 CarbonylContact C-O 3.52Å; F68-H103 WeakPolarHBondContact CA-O 3.39Å; F68-H103 VanDerWaalsContact CB-O 3.25Å; F68-H103 WeakPolarHBondContact CB-O 3.28Å
69	S	98.8	Very high	98.3	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.5	172.3	-63.8	0	0	0	0	110.3	C61 D62 H103 W105	C61-S69 CarbonylContact O-C 3.54Å; C61-S69 VanDerWaalsContact O-CA 3.27Å; C61-S69 WeakPolarHBondContact O-CA 3.28Å; D62-S69 WeakPolarHBondContact OD1-CB 3.42Å; D62-S69 PolarHBondContact OD1-OG 3.4Å; S69-H103 PolarHBondContact N-O 2.91Å; S69-H103 PolarHBondContact O-N 3.44Å; S69-W105 PolarHBondContact OG-NE1 3.4Å
70	L	98.8	Very high	98.3	Very high	16 Å²	16	71 Å²	71	8%	0.084	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.2	172.7	-53.8	179.5	0	0	0	109.3	K60 C61 F63 F68 F72 E100 L101 T102	K60-L70 CarbonylContact C-O 3.51Å; K60-L70 VanDerWaalsContact CA-O 3.28Å; K60-L70 WeakPolarHBondContact CA-O 3.29Å; C61-L70 HydrophobicContact CB-CB 4.3Å; C61-L70 PolarHBondContact N-O 3.23Å; C61-L70 PolarHBondContact O-N 2.97Å; F63-L70 HydrophobicContact CD2-CG 4.5Å; F63-L70 HydrophobicContact CE2-CD1 3.73Å; F63-L70 HydrophobicContact CE2-CG 3.95Å; F63-L70 HydrophobicContact CZ-CD1 4.35Å; F68-L70 HydrophobicContact CD2-CD2 3.73Å; F68-L70 HydrophobicContact CD2-CG 4.09Å; F68-L70 HydrophobicContact CE2-CD1 4.16Å; F68-L70 HydrophobicContact CE2-CD2 3.61Å; F68-L70 HydrophobicContact CE2-CG 3.74Å; L70-F72 HydrophobicContact CB-CD2 4.32Å; L70-F72 HydrophobicContact CB-CE2 3.71Å; L70-F72 HydrophobicContact CB-CZ 4.44Å; L70-F72 HydrophobicContact CD1-CE2 4.04Å; L70-F72 HydrophobicContact CD1-CZ 4.17Å; L70-E100 VanDerWaalsContact CD1-OE1 3.31Å; L70-E100 WeakPolarHBondContact CD1-OE1 3.39Å; L70-E100 HydrophobicContact CD2-CG 4.27Å; L70-E100 VanDerWaalsContact CD2-OE1 3.24Å; L70-E100 WeakPolarHBondContact CD2-OE1 3.36Å; L70-L101 WeakPolarHBondContact CA-O 3.46Å; L70-T102 HydrophobicContact CD2-CG2 4.07Å; L70-T102 VanDerWaalsContact CD2-OG1 3.32Å; L70-T102 WeakPolarHBondContact CD2-OG1 3.21Å
71	Y	98.9	Very high	98.3	Very high	24 Å²	24	68.4 Å²	68.4	9%	0.094	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.6	174.2	-56.9	-100.2	0	0	0	108.2	P42 L46 L57 K60 L73 L101 H103	P42-Y71 HydrophobicContact CB-CD2 4.17Å; P42-Y71 HydrophobicContact CB-CE1 4.27Å; P42-Y71 HydrophobicContact CB-CE2 3.6Å; P42-Y71 HydrophobicContact CG-CE2 4.1Å; L46-Y71 HydrophobicContact CD1-CD1 3.85Å; L46-Y71 HydrophobicContact CD1-CE1 3.86Å; L46-Y71 HydrophobicContact CD2-CD1 4.06Å; L46-Y71 HydrophobicContact CD2-CG 4.43Å; L46-Y71 HydrophobicContact CG-CD1 4.33Å; L57-Y71 HydrophobicContact CD1-CD1 4.21Å; K60-Y71 HydrophobicContact CB-CD1 4.43Å; K60-Y71 HydrophobicContact CD-CD1 4.1Å; K60-Y71 HydrophobicContact CD-CE1 3.55Å; K60-Y71 VanDerWaalsContact CE-CE1 3.45Å; K60-Y71 WeakPolarHBondContact CE-OH 3.42Å; K60-Y71 HydrophobicContact CG-CD1 4.05Å; K60-Y71 HydrophobicContact CG-CE1 3.91Å; Y71-L73 WeakPolarHBondContact O-CD1 3.37Å; Y71-L101 PolarHBondContact N-O 3.3Å; Y71-L101 PolarHBondContact O-N 2.99Å; Y71-H103 HydrophobicContact CD2-CB 4.42Å; Y71-H103 HydrophobicContact CE2-CB 3.85Å
72	F	98.8	Very high	98.3	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.3	179.5	-69.6	-95.7	0	0	0	109.6	I58 Q59 L70 L93 L99 E100	I58-F72 HydrophobicContact CD1-CB 4.12Å; I58-F72 HydrophobicContact CG1-CB 3.67Å; I58-F72 WeakPolarHBondContact CG1-O 3.44Å; I58-F72 PolarHBondContact N-O 3.09Å; Q59-F72 HydrophobicContact CB-CB 4.17Å; Q59-F72 HydrophobicContact CB-CD2 4.17Å; Q59-F72 HydrophobicContact CB-CG 4.47Å; Q59-F72 HydrophobicContact CG-CD2 4.39Å; Q59-F72 PolarHBondContact N-O 2.78Å; Q59-F72 PolarHBondContact O-N 3.05Å; L70-F72 HydrophobicContact CB-CD2 4.32Å; L70-F72 HydrophobicContact CB-CE2 3.71Å; L70-F72 HydrophobicContact CB-CZ 4.44Å; L70-F72 HydrophobicContact CD1-CE2 4.04Å; L70-F72 HydrophobicContact CD1-CZ 4.17Å; F72-L93 HydrophobicContact CE1-CD2 3.78Å; F72-L93 HydrophobicContact CZ-CD2 3.94Å; F72-L99 CarbonylContact C-O 3.51Å; F72-L99 WeakPolarHBondContact CA-O 3.21Å; F72-E100 HydrophobicContact CD1-CB 4.21Å; F72-E100 HydrophobicContact CD1-CG 4.45Å; F72-E100 HydrophobicContact CE1-CB 3.92Å; F72-E100 HydrophobicContact CE1-CG 3.87Å; F72-E100 HydrophobicContact CE2-CG 4.43Å; F72-E100 HydrophobicContact CZ-CB 4.41Å; F72-E100 HydrophobicContact CZ-CG 3.85Å
73	L	98.9	Very high	98.2	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.7	178	-68.3	84.4	0	0	0	111.1	L46 Y49 T50 M55 T56 L57 Y71 T98 L99 L101	L46-L73 HydrophobicContact CD2-CD1 4.1Å; L46-L73 HydrophobicContact CD2-CD2 4.3Å; Y49-L73 HydrophobicContact CG-CD2 4.16Å; T50-L73 HydrophobicContact CG2-CD2 4.19Å; M55-L73 HydrophobicContact CB-CB 4.27Å; M55-L73 HydrophobicContact CB-CD2 4.38Å; M55-L73 HydrophobicContact CE-CB 4.23Å; M55-L73 HydrophobicContact SD-CB 4.34Å; T56-L73 VanDerWaalsContact O-CA 3.28Å; T56-L73 WeakPolarHBondContact O-CA 3.32Å; L57-L73 HydrophobicContact CD1-CD1 4.29Å; Y71-L73 WeakPolarHBondContact O-CD1 3.37Å; L73-T98 CarbonylContact O-C 3.54Å; L73-T98 WeakPolarHBondContact O-CA 3.45Å; L73-L99 PolarHBondContact N-O 2.84Å; L73-L99 PolarHBondContact O-N 3.47Å; L73-L101 HydrophobicContact CD1-CD1 3.65Å; L73-L101 HydrophobicContact CD1-CG 3.99Å
74	A	98.7	Very high	98.2	Very high	2 Å²	2	75.5 Å²	75.5	2%	0.017	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	162.8	178	0	0	0	0	0	111.5	T56 I58 E76 T98	T56-A74 PolarHBondContact N-O 3.28Å; T56-A74 PolarHBondContact O-N 3.15Å; I58-A74 HydrophobicContact CD1-CB 3.97Å; I58-A74 HydrophobicContact CG1-CB 4.49Å; I58-A74 HydrophobicContact CG2-CB 4.25Å; A74-E76 VanDerWaalsContact C-N 3.29Å; A74-E76 HydrophobicContact CB-CB 4.46Å; A74-E76 HydrophobicContact CB-CG 3.69Å; A74-E76 PolarHBondContact O-N 3.27Å; A74-E76 VanDerWaalsContact O-N 3.12Å; A74-T98 HydrophobicContact CB-CG2 4.14Å
75	Y	98.7	Very high	98	Very high	126 Å²	126	78.2 Å²	78.2	49%	0.494	37%	0.369	S	S	.	.	S	Bend	trans	-81.8	77.5	166.1	-74.9	-67.2	0	0	0	110	L53 M55 I130	L53-Y75 WeakPolarHBondContact O-CE1 3.17Å; L53-Y75 PolarHBondContact O-OH 2.95Å; M55-Y75 HydrophobicContact CG-CD1 4.35Å; M55-Y75 HydrophobicContact CG-CD2 4.47Å; M55-Y75 HydrophobicContact CG-CE1 3.99Å; M55-Y75 HydrophobicContact CG-CE2 4.13Å; Y75-I130 HydrophobicContact CE2-CG2 4.27Å
76	E	98.4	Very high	97.9	Very high	52 Å²	52	75.3 Å²	75.3	24%	0.243	36%	0.355	C	S	.	.			trans	-129.9	152	-178.6	-66.9	-72.3	-179.7	0	0	110.2	T56 I58 A74 K78 W91 R95	T56-E76 WeakPolarHBondContact CB-O 3.4Å; T56-E76 PolarHBondContact OG1-O 3.47Å; I58-E76 HydrophobicContact CG2-CB 4.13Å; I58-E76 HydrophobicContact CG2-CG 4.38Å; A74-E76 VanDerWaalsContact C-N 3.29Å; A74-E76 HydrophobicContact CB-CB 4.46Å; A74-E76 HydrophobicContact CB-CG 3.69Å; A74-E76 PolarHBondContact O-N 3.27Å; A74-E76 VanDerWaalsContact O-N 3.12Å; E76-K78 PolarHBondContact O-N 2.89Å; E76-W91 HydrophobicContact CB-CH2 3.92Å; E76-W91 HydrophobicContact CG-CH2 4.01Å; E76-W91 HydrophobicContact CG-CZ2 4.48Å; E76-R95 HydrophobicContact CG-CG 4.37Å; E76-R95 WeakPolarHBondContact OE1-CD 3.3Å
77	D	98	Very high	97.9	Very high	78 Å²	78	75.3 Å²	75.3	42%	0.417	35%	0.353	S	S	.	.			trans	-72.5	126.8	171	-167.6	-28.9	0	0	0	109.3	N79 D80	D77-N79 PolarHBondContact O-N 3.23Å; D77-N79 VanDerWaalsContact O-N 3.09Å; D77-N79 WeakPolarHBondContact OD1-CB 3.27Å; D77-N79 PolarHBondContact OD1-N 2.62Å; D77-N79 PolarHBondContact OD1-ND2 3.48Å; D77-N79 PolarHBondContact OD2-ND2 3.47Å; D77-D80 PolarHBondContact O-N 2.97Å
78	K	97.5	Very high	97.9	Very high	147 Å²	147	71.2 Å²	71.2	64%	0.639	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22	176.3	68.5	-179.1	-178.6	-178.4	0	113.5	T56 E76 D80 I81	T56-K78 HydrophobicContact CG2-CB 3.96Å; E76-K78 PolarHBondContact O-N 2.89Å; K78-D80 VanDerWaalsContact C-N 3.32Å; K78-I81 HydrophobicContact CB-CD1 4.27Å
79	N	97.8	Very high	97.9	Very high	124 Å²	124	71.9 Å²	71.9	66%	0.663	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.8	178.2	-59.6	-50.8	0	0	0	112.8	D77 I81	D77-N79 PolarHBondContact O-N 3.23Å; D77-N79 VanDerWaalsContact O-N 3.09Å; D77-N79 WeakPolarHBondContact OD1-CB 3.27Å; D77-N79 PolarHBondContact OD1-N 2.62Å; D77-N79 PolarHBondContact OD1-ND2 3.48Å; D77-N79 PolarHBondContact OD2-ND2 3.47Å; N79-I81 VanDerWaalsContact C-N 3.31Å
80	D	98.2	Very high	97.9	Very high	97 Å²	97	74.8 Å²	74.8	52%	0.519	36%	0.364	S	S	.	.	S	Bend	trans	-83.6	-10.5	177.8	-67.3	-25.6	0	0	0	112.6	D77 K78 P82 W91	D77-D80 PolarHBondContact O-N 2.97Å; K78-D80 VanDerWaalsContact C-N 3.32Å; D80-P82 VanDerWaalsContact O-CD 3.26Å; D80-P82 WeakPolarHBondContact O-CD 3.28Å; D80-W91 HydrophobicContact CB-CZ2 3.97Å
81	I	98.4	Very high	97.8	Very high	29 Å²	29	75.7 Å²	75.7	15%	0.149	37%	0.367	C	S	.	.	S	Bend	trans	-69.4	119.2	179.5	-57.8	175.8	0	0	0	109.3	T56 I58 K78 N79 K88 W91	T56-I81 HydrophobicContact CG2-CD1 3.91Å; I58-I81 HydrophobicContact CG2-CD1 4.26Å; K78-I81 HydrophobicContact CB-CD1 4.27Å; N79-I81 VanDerWaalsContact C-N 3.31Å; I81-K88 HydrophobicContact CG2-CD 3.81Å; I81-K88 VanDerWaalsContact CG2-CE 3.42Å; I81-K88 HydrophobicContact CG2-CG 3.89Å; I81-W91 HydrophobicContact CB-CZ3 4.4Å; I81-W91 HydrophobicContact CG1-CH2 3.87Å; I81-W91 HydrophobicContact CG1-CZ3 3.78Å
82	P	98.3	Very high	97.8	Very high	28 Å²	28	74.6 Å²	74.6	18%	0.182	36%	0.362	C	S	.	.			trans	-59.6	148.4	174.8	-23.7	34.8	0	0	0	112.2	D80 E87 K88 W91	D80-P82 VanDerWaalsContact O-CD 3.26Å; D80-P82 WeakPolarHBondContact O-CD 3.28Å; P82-E87 HydrophobicContact CB-CB 3.81Å; P82-E87 HydrophobicContact CG-CB 4.41Å; P82-K88 HydrophobicContact CB-CB 4.3Å; P82-W91 HydrophobicContact CG-CB 3.67Å; P82-W91 HydrophobicContact CG-CD2 4.43Å; P82-W91 HydrophobicContact CG-CG 3.81Å
83	K	96.7	Very high	97.8	Very high	211 Å²	211	78.2 Å²	78.2	92%	0.917	38%	0.382	S	S	*	.	S	Bend	trans	-88.4	-31.3	-179.9	-67.7	177.7	-178	173.5	0	112.6
84	E	97.1	Very high	97.7	Very high	86 Å²	86	80.5 Å²	80.5	40%	0.402	40%	0.398	S	S	.	.	S	Bend	trans	-71.1	139.2	175	-159.1	-62.2	115	0	0	108.8	D86 E87 K88	E84-D86 PolarHBondContact OE1-N 3.38Å; E84-D86 WeakPolarHBondContact OE2-CA 3.05Å; E84-D86 WeakPolarHBondContact OE2-CB 3.43Å; E84-D86 PolarHBondContact OE2-N 3.27Å; E84-E87 HydrophobicContact CB-CB 4.12Å; E84-E87 HydrophobicContact CB-CG 4.04Å; E84-E87 HydrophobicContact CG-CG 4.46Å; E84-E87 PolarHBondContact OE2-N 2.9Å; E84-K88 WeakPolarHBondContact O-CB 3.49Å; E84-K88 PolarHBondContact O-N 2.88Å
85	K	94.3	Very high	97.7	Very high	143 Å²	143	83.7 Å²	83.7	62%	0.622	41%	0.41	S	S	*	.	H	α-helix	trans	-66.1	-47.8	-168.8	-179.5	-174.9	173.6	-170.4	0	112.3	K88 I89	K85-K88 PolarHBondContact O-N 3.44Å; K85-I89 HydrophobicContact CG-CD1 4.18Å; K85-I89 VanDerWaalsContact O-CG1 3.29Å; K85-I89 WeakPolarHBondContact O-CG1 3.38Å; K85-I89 PolarHBondContact O-N 2.78Å
86	D	96.1	Very high	97.7	Very high	109 Å²	109	85 Å²	85	58%	0.583	42%	0.417	S	S	*	.	H	α-helix	trans	-72.6	-39.7	-176.5	-66.2	-15.5	0	0	0	110.4	E84 K88 I89 A90	E84-D86 PolarHBondContact OE1-N 3.38Å; E84-D86 WeakPolarHBondContact OE2-CA 3.05Å; E84-D86 WeakPolarHBondContact OE2-CB 3.43Å; E84-D86 PolarHBondContact OE2-N 3.27Å; D86-K88 VanDerWaalsContact C-N 3.32Å; D86-K88 PolarHBondContact O-N 2.81Å; D86-I89 PolarHBondContact O-N 3.44Å; D86-A90 PolarHBondContact O-N 2.85Å
87	E	97.8	Very high	97.7	Very high	119 Å²	119	86.3 Å²	86.3	56%	0.556	44%	0.437	S	S	*	.	H	α-helix	trans	-59.1	-43.2	171.1	-66.8	-179.6	177.5	0	0	111.6	P82 E84 A90 W91	P82-E87 HydrophobicContact CB-CB 3.81Å; P82-E87 HydrophobicContact CG-CB 4.41Å; E84-E87 HydrophobicContact CB-CB 4.12Å; E84-E87 HydrophobicContact CB-CG 4.04Å; E84-E87 HydrophobicContact CG-CG 4.46Å; E84-E87 PolarHBondContact OE2-N 2.9Å; E87-A90 PolarHBondContact O-N 3.15Å; E87-W91 WeakPolarHBondContact O-CB 3.37Å; E87-W91 PolarHBondContact O-N 3Å
88	K	98.2	Very high	97.8	Very high	56 Å²	56	82.8 Å²	82.8	24%	0.243	42%	0.419	C	S	.	.	H	α-helix	trans	-64.5	-41	178.2	-176.6	176.7	179.3	-180	0	112.2	I58 I81 P82 E84 K85 D86 W91 A92	I58-K88 WeakPolarHBondContact O-CE 3.49Å; I81-K88 HydrophobicContact CG2-CD 3.81Å; I81-K88 VanDerWaalsContact CG2-CE 3.42Å; I81-K88 HydrophobicContact CG2-CG 3.89Å; P82-K88 HydrophobicContact CB-CB 4.3Å; E84-K88 WeakPolarHBondContact O-CB 3.49Å; E84-K88 PolarHBondContact O-N 2.88Å; K85-K88 PolarHBondContact O-N 3.44Å; D86-K88 VanDerWaalsContact C-N 3.32Å; D86-K88 PolarHBondContact O-N 2.81Å; K88-W91 PolarHBondContact O-N 2.94Å; K88-A92 VanDerWaalsContact O-CB 3.29Å; K88-A92 WeakPolarHBondContact O-CB 3.15Å; K88-A92 PolarHBondContact O-N 2.82Å
89	I	97.5	Very high	97.8	Very high	51 Å²	51	76 Å²	76	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-51	175.9	-70.5	164.5	0	0	0	110	K85 D86 W91 A92 L93	K85-I89 HydrophobicContact CG-CD1 4.18Å; K85-I89 VanDerWaalsContact O-CG1 3.29Å; K85-I89 WeakPolarHBondContact O-CG1 3.38Å; K85-I89 PolarHBondContact O-N 2.78Å; D86-I89 PolarHBondContact O-N 3.44Å; I89-W91 VanDerWaalsContact C-N 3.31Å; I89-W91 PolarHBondContact O-N 2.82Å; I89-A92 PolarHBondContact O-N 3.35Å; I89-L93 HydrophobicContact CG2-CD1 3.89Å; I89-L93 WeakPolarHBondContact O-CB 3.26Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.31Å
90	A	98.1	Very high	97.9	Very high	64 Å²	64	71.5 Å²	71.5	53%	0.529	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-40.2	179.2	0	0	0	0	0	112	D86 E87 S94	D86-A90 PolarHBondContact O-N 2.85Å; E87-A90 PolarHBondContact O-N 3.15Å; A90-S94 WeakPolarHBondContact O-CB 3.28Å; A90-S94 PolarHBondContact O-N 3.26Å; A90-S94 PolarHBondContact O-OG 2.8Å; A90-S94 VanDerWaalsContact O-OG 3.08Å
91	W	98.6	Very high	97.9	Very high	35 Å²	35	67 Å²	67	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-48.9	176.5	-179.4	91.3	0	0	0	111.9	I58 E76 D80 I81 P82 E87 K88 I89 L93 S94 R95	I58-W91 HydrophobicContact CB-CZ3 3.83Å; I58-W91 HydrophobicContact CG2-CH2 4.04Å; I58-W91 HydrophobicContact CG2-CZ3 3.75Å; E76-W91 HydrophobicContact CB-CH2 3.92Å; E76-W91 HydrophobicContact CG-CH2 4.01Å; E76-W91 HydrophobicContact CG-CZ2 4.48Å; D80-W91 HydrophobicContact CB-CZ2 3.97Å; I81-W91 HydrophobicContact CB-CZ3 4.4Å; I81-W91 HydrophobicContact CG1-CH2 3.87Å; I81-W91 HydrophobicContact CG1-CZ3 3.78Å; P82-W91 HydrophobicContact CG-CB 3.67Å; P82-W91 HydrophobicContact CG-CD2 4.43Å; P82-W91 HydrophobicContact CG-CG 3.81Å; E87-W91 WeakPolarHBondContact O-CB 3.37Å; E87-W91 PolarHBondContact O-N 3Å; K88-W91 PolarHBondContact O-N 2.94Å; I89-W91 VanDerWaalsContact C-N 3.31Å; I89-W91 PolarHBondContact O-N 2.82Å; W91-L93 PolarHBondContact O-N 3.26Å; W91-S94 PolarHBondContact O-N 3.09Å; W91-S94 VanDerWaalsContact O-N 3.13Å; W91-S94 PolarHBondContact O-OG 3.19Å; W91-R95 HydrophobicContact CD2-CG 4.47Å; W91-R95 HydrophobicContact CE3-CG 4.38Å; W91-R95 HydrophobicContact CH2-CG 4.3Å; W91-R95 HydrophobicContact CZ2-CG 4.39Å; W91-R95 HydrophobicContact CZ3-CG 4.3Å; W91-R95 WeakPolarHBondContact O-CG 3.29Å; W91-R95 PolarHBondContact O-N 3.13Å; W91-R95 PolarHBondContact O-NE 3Å; W91-R95 VanDerWaalsContact O-NE 3.15Å
92	A	98.2	Very high	97.9	Very high	1 Å²	1	66 Å²	66	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-44.2	-180	0	0	0	0	0	111.9	Q33 I58 Q59 K88 I89 S94 R95	Q33-A92 PolarHBondContact NE2-O 3.31Å; I58-A92 HydrophobicContact CD1-CB 3.95Å; I58-A92 HydrophobicContact CG1-CB 4.37Å; Q59-A92 HydrophobicContact CB-CB 3.84Å; K88-A92 VanDerWaalsContact O-CB 3.29Å; K88-A92 WeakPolarHBondContact O-CB 3.15Å; K88-A92 PolarHBondContact O-N 2.82Å; I89-A92 PolarHBondContact O-N 3.35Å; A92-S94 PolarHBondContact O-N 3.21Å; A92-R95 PolarHBondContact O-N 2.81Å
93	L	97.9	Very high	98	Very high	84 Å²	84	65.1 Å²	65.1	44%	0.44	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.1	179.3	-64.1	177.8	0	0	0	114	Q33 F72 I89 W91	Q33-L93 WeakPolarHBondContact CG-O 3.39Å; F72-L93 HydrophobicContact CE1-CD2 3.78Å; F72-L93 HydrophobicContact CZ-CD2 3.94Å; I89-L93 HydrophobicContact CG2-CD1 3.89Å; I89-L93 WeakPolarHBondContact O-CB 3.26Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.31Å; W91-L93 PolarHBondContact O-N 3.26Å
94	S	98.3	Very high	98.1	Very high	48 Å²	48	57.7 Å²	57.7	34%	0.336	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	0.1	171.1	64.8	0	0	0	0	113.5	A90 W91 A92	A90-S94 WeakPolarHBondContact O-CB 3.28Å; A90-S94 PolarHBondContact O-N 3.26Å; A90-S94 PolarHBondContact O-OG 2.8Å; A90-S94 VanDerWaalsContact O-OG 3.08Å; W91-S94 PolarHBondContact O-N 3.09Å; W91-S94 VanDerWaalsContact O-N 3.13Å; W91-S94 PolarHBondContact O-OG 3.19Å; A92-S94 PolarHBondContact O-N 3.21Å
95	R	98.5	Very high	98.1	Very high	70 Å²	70	58.5 Å²	58.5	26%	0.264	30%	0.299	S	S	.	.	S	Bend	trans	-76.8	145	174.4	-60.7	-51.7	87.3	-176.9	-2.8	110.8	Q33 I58 E76 W91 A92 T98	Q33-R95 WeakPolarHBondContact CG-O 3.45Å; Q33-R95 PolarHBondContact NE2-O 3.3Å; I58-R95 HydrophobicContact CD1-CG 4.29Å; E76-R95 HydrophobicContact CG-CG 4.37Å; E76-R95 WeakPolarHBondContact OE1-CD 3.3Å; W91-R95 HydrophobicContact CD2-CG 4.47Å; W91-R95 HydrophobicContact CE3-CG 4.38Å; W91-R95 HydrophobicContact CH2-CG 4.3Å; W91-R95 HydrophobicContact CZ2-CG 4.39Å; W91-R95 HydrophobicContact CZ3-CG 4.3Å; W91-R95 WeakPolarHBondContact O-CG 3.29Å; W91-R95 PolarHBondContact O-N 3.13Å; W91-R95 PolarHBondContact O-NE 3Å; W91-R95 VanDerWaalsContact O-NE 3.15Å; A92-R95 PolarHBondContact O-N 2.81Å; R95-T98 HydrophobicContact CB-CG2 3.6Å
96	K	98.6	Very high	98.3	Very high	152 Å²	152	53.3 Å²	53.3	66%	0.661	29%	0.286	S	S	*	.	S	Bend	trans	-78.7	153.7	171.4	-67.2	176.5	66	177.2	0	110.1	L31 T98	L31-K96 HydrophobicContact CB-CG 4.4Å; L31-K96 HydrophobicContact CD1-CG 4.35Å; K96-T98 VanDerWaalsContact C-N 3.28Å; K96-T98 PolarHBondContact O-N 3.35Å
97	A	98.5	Very high	98.5	Very high	80 Å²	80	48.9 Å²	48.9	66%	0.661	26%	0.263	S	S	*	.	S	Bend	trans	53.6	39.8	166	0	0	0	0	0	114.7	L32 Q33	L32-A97 PolarHBondContact O-N 3.43Å; Q33-A97 PolarHBondContact O-N 2.79Å
98	T	98.7	Very high	98.5	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	155.3	172.1	71.1	0	0	0	0	111	Q33 Q34 T35 I58 L73 A74 R95 K96	Q33-T98 PolarHBondContact NE2-OG1 3.42Å; Q33-T98 WeakPolarHBondContact O-CB 2.81Å; Q33-T98 PolarHBondContact O-N 2.88Å; Q33-T98 PolarHBondContact O-OG1 3.08Å; Q34-T98 VanDerWaalsContact CA-O 3.26Å; Q34-T98 WeakPolarHBondContact CA-O 3.14Å; Q34-T98 WeakPolarHBondContact CB-OG1 3.47Å; T35-T98 PolarHBondContact N-O 2.89Å; I58-T98 HydrophobicContact CD1-CG2 3.87Å; L73-T98 CarbonylContact O-C 3.54Å; L73-T98 WeakPolarHBondContact O-CA 3.45Å; A74-T98 HydrophobicContact CB-CG2 4.14Å; R95-T98 HydrophobicContact CB-CG2 3.6Å; K96-T98 VanDerWaalsContact C-N 3.28Å; K96-T98 PolarHBondContact O-N 3.35Å
99	L	98.9	Very high	98.5	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.6	169.6	-168.7	63.8	0	0	0	108.4	T35 L37 Y49 M55 F72 L73 L101 I128	T35-L99 HydrophobicContact CG2-CD1 4.49Å; T35-L99 WeakPolarHBondContact O-CA 3.34Å; T35-L99 WeakPolarHBondContact O-CD1 3.36Å; L37-L99 HydrophobicContact CD1-CD1 3.98Å; L37-L99 HydrophobicContact CG-CD1 4.14Å; Y49-L99 HydrophobicContact CD1-CD2 3.84Å; Y49-L99 HydrophobicContact CD2-CD2 4.34Å; Y49-L99 HydrophobicContact CE1-CD2 3.35Å; Y49-L99 HydrophobicContact CE2-CD2 3.93Å; Y49-L99 HydrophobicContact CG-CD2 4.32Å; Y49-L99 VanDerWaalsContact CZ-CD2 3.4Å; M55-L99 HydrophobicContact CE-CB 4.36Å; F72-L99 CarbonylContact C-O 3.51Å; F72-L99 WeakPolarHBondContact CA-O 3.21Å; L73-L99 PolarHBondContact N-O 2.84Å; L73-L99 PolarHBondContact O-N 3.47Å; L99-L101 HydrophobicContact CD1-CD2 4.41Å; L99-L101 HydrophobicContact CD2-CD2 3.62Å; L99-L101 HydrophobicContact CD2-CG 4.31Å; L99-L101 HydrophobicContact CG-CD2 3.63Å; L99-L101 HydrophobicContact CG-CG 4.24Å; L99-I128 HydrophobicContact CD1-CD1 4.46Å; L99-I128 HydrophobicContact CD2-CD1 4.31Å
100	E	98.9	Very high	98.5	Very high	29 Å²	29	50.5 Å²	50.5	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	103.1	172.1	-179.2	-166.9	179.5	0	0	108.4	Q34 T35 M36 L37 L70 F72	Q34-E100 HydrophobicContact CB-CB 4.46Å; Q34-E100 PolarHBondContact OE1-OE2 3.42Å; T35-E100 PolarHBondContact O-N 3.12Å; M36-E100 CarbonylContact C-O 3.6Å; M36-E100 VanDerWaalsContact CA-O 3.27Å; M36-E100 WeakPolarHBondContact CA-O 3.15Å; M36-E100 HydrophobicContact CB-CB 4.1Å; M36-E100 HydrophobicContact CB-CG 4.42Å; M36-E100 WeakPolarHBondContact CB-OE2 3.41Å; M36-E100 HydrophobicContact CG-CB 4.08Å; M36-E100 HydrophobicContact CG-CG 3.91Å; M36-E100 WeakPolarHBondContact CG-O 3.28Å; M36-E100 VanDerWaalsContact CG-OE2 3.3Å; M36-E100 WeakPolarHBondContact CG-OE2 3.25Å; L37-E100 PolarHBondContact N-O 3.36Å; L70-E100 VanDerWaalsContact CD1-OE1 3.31Å; L70-E100 WeakPolarHBondContact CD1-OE1 3.39Å; L70-E100 HydrophobicContact CD2-CG 4.27Å; L70-E100 VanDerWaalsContact CD2-OE1 3.24Å; L70-E100 WeakPolarHBondContact CD2-OE1 3.36Å; F72-E100 HydrophobicContact CD1-CB 4.21Å; F72-E100 HydrophobicContact CD1-CG 4.45Å; F72-E100 HydrophobicContact CE1-CB 3.92Å; F72-E100 HydrophobicContact CE1-CG 3.87Å; F72-E100 HydrophobicContact CE2-CG 4.43Å; F72-E100 HydrophobicContact CZ-CB 4.41Å; F72-E100 HydrophobicContact CZ-CG 3.85Å
101	L	98.9	Very high	98.5	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.7	173.5	-55.8	-179.2	0	0	0	109.5	L37 V39 Y49 L70 Y71 L73 L99	L37-L101 HydrophobicContact CB-CD2 4.31Å; L37-L101 CarbonylContact O-C 3.55Å; L37-L101 WeakPolarHBondContact O-CA 3.34Å; V39-L101 HydrophobicContact CG1-CB 4.01Å; V39-L101 HydrophobicContact CG1-CD1 4.26Å; V39-L101 HydrophobicContact CG1-CD2 3.75Å; V39-L101 HydrophobicContact CG1-CG 4.22Å; V39-L101 HydrophobicContact CG2-CB 4Å; Y49-L101 HydrophobicContact CD2-CD1 3.69Å; Y49-L101 HydrophobicContact CE2-CD1 3.9Å; Y49-L101 HydrophobicContact CE2-CD2 4.05Å; L70-L101 WeakPolarHBondContact CA-O 3.46Å; Y71-L101 PolarHBondContact N-O 3.3Å; Y71-L101 PolarHBondContact O-N 2.99Å; L73-L101 HydrophobicContact CD1-CD1 3.65Å; L73-L101 HydrophobicContact CD1-CG 3.99Å; L99-L101 HydrophobicContact CD1-CD2 4.41Å; L99-L101 HydrophobicContact CD2-CD2 3.62Å; L99-L101 HydrophobicContact CD2-CG 4.31Å; L99-L101 HydrophobicContact CG-CD2 3.63Å; L99-L101 HydrophobicContact CG-CG 4.24Å
102	T	98.9	Very high	98.4	Very high	9 Å²	9	61 Å²	61	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116	178.7	-63.9	0	0	0	0	110.6	M36 L37 R38 V39 F68 L70	M36-T102 HydrophobicContact CE-CG2 4.17Å; M36-T102 VanDerWaalsContact CE-OG1 3.24Å; M36-T102 WeakPolarHBondContact CE-OG1 3.15Å; M36-T102 WeakPolarHBondContact CG-OG1 3.4Å; M36-T102 PolarHBondContact SD-OG1 2.99Å; M36-T102 VanDerWaalsContact SD-OG1 3.4Å; L37-T102 PolarHBondContact O-N 3.33Å; R38-T102 CarbonylContact C-O 3.55Å; R38-T102 VanDerWaalsContact CA-O 3.28Å; R38-T102 WeakPolarHBondContact CA-O 3.24Å; R38-T102 HydrophobicContact CG-CG2 4.37Å; V39-T102 PolarHBondContact N-O 3Å; F68-T102 HydrophobicContact CD2-CG2 4.44Å; L70-T102 HydrophobicContact CD2-CG2 4.07Å; L70-T102 VanDerWaalsContact CD2-OG1 3.32Å; L70-T102 WeakPolarHBondContact CD2-OG1 3.21Å
103	H	98.9	Very high	98.4	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.037	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.1	175.5	169.8	-133.2	0	0	0	110.1	V39 P42 F68 S69 Y71 W105 E108	V39-H103 HydrophobicContact CG2-CB 4.22Å; P42-H103 HydrophobicContact CG-CB 4.29Å; F68-H103 CarbonylContact C-O 3.52Å; F68-H103 WeakPolarHBondContact CA-O 3.39Å; F68-H103 VanDerWaalsContact CB-O 3.25Å; F68-H103 WeakPolarHBondContact CB-O 3.28Å; S69-H103 PolarHBondContact N-O 2.91Å; S69-H103 PolarHBondContact O-N 3.44Å; Y71-H103 HydrophobicContact CD2-CB 4.42Å; Y71-H103 HydrophobicContact CE2-CB 3.85Å; H103-W105 AromaticContact CE1-CD1 3.78Å; H103-W105 AromaticContact ND1-CD1 3.62Å; H103-E108 IonicContact CD2-OE2 2.78Å; H103-E108 IonicContact CE1-OE1 3.59Å; H103-E108 PolarHBondContact CE1-OE1 2.8Å; H103-E108 VanDerWaalsContact CE1-OE1 3.25Å; H103-E108 IonicContact CE1-OE2 3.28Å; H103-E108 PolarHBondContact CE1-OE2 2.69Å; H103-E108 VanDerWaalsContact NE2-CD 3.3Å; H103-E108 IonicContact NE2-OE1 2.66Å; H103-E108 PolarHBondContact NE2-OE1 2.86Å; H103-E108 IonicContact NE2-OE2 3.69Å; H103-E108 PolarHBondContact NE2-OE2 3.28Å
104	N	98.7	Very high	98.4	Very high	55 Å²	55	63.2 Å²	63.2	29%	0.294	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.8	167.5	-65	-60.7	0	0	0	108.8	G106 T107 Y115	N104-G106 PolarHBondContact O-N 2.89Å; N104-T107 HydrophobicContact CB-CG2 4.01Å; N104-T107 WeakPolarHBondContact O-CB 3.47Å; N104-T107 WeakPolarHBondContact O-CG2 3.46Å; N104-T107 PolarHBondContact O-N 2.82Å; N104-T107 PolarHBondContact O-OG1 3.44Å; N104-Y115 PolarHBondContact ND2-OH 3Å
105	W	98.5	Very high	98.4	Very high	103 Å²	103	62.9 Å²	62.9	39%	0.39	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	134.6	-169.1	-62.3	-8.1	0	0	0	112.6	D62 P64 K67 S69 H103	D62-W105 HydrophobicContact CB-CZ2 4.39Å; P64-W105 VanDerWaalsContact CA-CH2 3.44Å; P64-W105 HydrophobicContact CB-CH2 3.83Å; P64-W105 HydrophobicContact CB-CZ3 4.22Å; P64-W105 HydrophobicContact CG-CH2 4.02Å; K67-W105 HydrophobicContact CB-CB 4.37Å; K67-W105 HydrophobicContact CB-CD2 4.29Å; K67-W105 HydrophobicContact CB-CE3 4Å; K67-W105 HydrophobicContact CB-CG 4.47Å; K67-W105 HydrophobicContact CG-CE3 4.19Å; K67-W105 PolarHBondContact O-N 2.89Å; S69-W105 PolarHBondContact OG-NE1 3.4Å; H103-W105 AromaticContact CE1-CD1 3.78Å; H103-W105 AromaticContact ND1-CD1 3.62Å
106	G	98.3	Very high	98.4	Very high	34 Å²	34	63.8 Å²	63.8	35%	0.351	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-6.5	-179.6	0	0	0	0	0	113.8	N104 E108 D109 D110	N104-G106 PolarHBondContact O-N 2.89Å; G106-E108 VanDerWaalsContact C-OE2 3.31Å; G106-E108 VanDerWaalsContact CA-OE2 3.32Å; G106-E108 WeakPolarHBondContact CA-OE2 3.26Å; G106-E108 PolarHBondContact N-OE2 2.78Å; G106-E108 PolarHBondContact O-N 2.62Å; G106-D109 PolarHBondContact O-N 3Å; G106-D109 VanDerWaalsContact O-N 3.14Å; G106-D110 PolarHBondContact O-N 2.91Å
107	T	98.6	Very high	98.4	Very high	17 Å²	17	57.9 Å²	57.9	10%	0.104	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.9	174.9	50.1	0	0	0	0	112.4	K40 N104 D109 Q113	K40-T107 WeakPolarHBondContact CG-O 3.35Å; K40-T107 PolarHBondContact NZ-O 3.01Å; K40-T107 CarbonylContact O-C 3.59Å; K40-T107 PolarHBondContact O-OG1 2.92Å; N104-T107 HydrophobicContact CB-CG2 4.01Å; N104-T107 WeakPolarHBondContact O-CB 3.47Å; N104-T107 WeakPolarHBondContact O-CG2 3.46Å; N104-T107 PolarHBondContact O-N 2.82Å; N104-T107 PolarHBondContact O-OG1 3.44Å; T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 2.93Å; T107-Q113 HydrophobicContact CG2-CG 4.08Å
108	E	98.6	Very high	98.4	Very high	54 Å²	54	54.5 Å²	54.5	25%	0.252	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-26.1	174.9	63.1	-91.1	-124.2	0	0	113.4	K40 D41 H103 G106	K40-E108 WeakPolarHBondContact O-CA 3.31Å; K40-E108 PolarHBondContact O-N 3.12Å; K40-E108 VanDerWaalsContact O-N 3.12Å; D41-E108 HydrophobicContact CB-CB 3.9Å; H103-E108 IonicContact CD2-OE2 2.78Å; H103-E108 IonicContact CE1-OE1 3.59Å; H103-E108 PolarHBondContact CE1-OE1 2.8Å; H103-E108 VanDerWaalsContact CE1-OE1 3.25Å; H103-E108 IonicContact CE1-OE2 3.28Å; H103-E108 PolarHBondContact CE1-OE2 2.69Å; H103-E108 VanDerWaalsContact NE2-CD 3.3Å; H103-E108 IonicContact NE2-OE1 2.66Å; H103-E108 PolarHBondContact NE2-OE1 2.86Å; H103-E108 IonicContact NE2-OE2 3.69Å; H103-E108 PolarHBondContact NE2-OE2 3.28Å; G106-E108 VanDerWaalsContact C-OE2 3.31Å; G106-E108 VanDerWaalsContact CA-OE2 3.32Å; G106-E108 WeakPolarHBondContact CA-OE2 3.26Å; G106-E108 PolarHBondContact N-OE2 2.78Å; G106-E108 PolarHBondContact O-N 2.62Å
109	D	98.5	Very high	98.3	Very high	134 Å²	134	56.4 Å²	56.4	72%	0.717	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.5	-176.3	-59.9	-43.8	0	0	0	112.8	G106 T107 E111	G106-D109 PolarHBondContact O-N 3Å; G106-D109 VanDerWaalsContact O-N 3.14Å; T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 2.93Å; D109-E111 PolarHBondContact O-N 3.31Å
110	D	98.1	Very high	98.3	Very high	71 Å²	71	58.9 Å²	58.9	38%	0.38	32%	0.319	S	S	.	.			trans	-86.6	99.9	177.2	-177.8	-13.6	0	0	0	111	K40 G106 T112 Q113	K40-D110 PolarHBondContact NZ-O 3.11Å; G106-D110 PolarHBondContact O-N 2.91Å; D110-T112 PolarHBondContact O-N 2.82Å; D110-T112 VanDerWaalsContact O-N 3.09Å; D110-T112 WeakPolarHBondContact OD1-CA 3.49Å; D110-T112 WeakPolarHBondContact OD1-CB 3.37Å; D110-T112 PolarHBondContact OD1-N 2.87Å; D110-T112 PolarHBondContact OD1-OG1 2.92Å; D110-Q113 HydrophobicContact CB-CB 3.89Å; D110-Q113 PolarHBondContact O-N 3.23Å; D110-Q113 VanDerWaalsContact O-N 3.14Å; D110-Q113 PolarHBondContact OD1-N 2.81Å
111	E	97	Very high	98.2	Very high	194 Å²	194	63.1 Å²	63.1	91%	0.907	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.4	-179.3	-62.8	-177.1	170.4	0	0	114.5	D109	D109-E111 PolarHBondContact O-N 3.31Å
112	T	97.5	Very high	98.1	Very high	127 Å²	127	68.1 Å²	68.1	78%	0.779	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-15.1	-179.2	71.4	0	0	0	0	113.1	D110	D110-T112 PolarHBondContact O-N 2.82Å; D110-T112 VanDerWaalsContact O-N 3.09Å; D110-T112 WeakPolarHBondContact OD1-CA 3.49Å; D110-T112 WeakPolarHBondContact OD1-CB 3.37Å; D110-T112 PolarHBondContact OD1-N 2.87Å; D110-T112 PolarHBondContact OD1-OG1 2.92Å
113	Q	97.8	Very high	98	Very high	35 Å²	35	75.6 Å²	75.6	16%	0.164	40%	0.402	C	S	.	.			trans	-83	133.6	-179.3	-170.6	-77.6	-29.2	0	0	111.2	K40 T107 D110 Y115	K40-Q113 WeakPolarHBondContact CE-O 3.12Å; K40-Q113 PolarHBondContact NZ-O 3.06Å; T107-Q113 HydrophobicContact CG2-CG 4.08Å; D110-Q113 HydrophobicContact CB-CB 3.89Å; D110-Q113 PolarHBondContact O-N 3.23Å; D110-Q113 VanDerWaalsContact O-N 3.14Å; D110-Q113 PolarHBondContact OD1-N 2.81Å; Q113-Y115 VanDerWaalsContact NE2-CZ 3.34Å
114	S	97.7	Very high	97.9	Very high	95 Å²	95	78.3 Å²	78.3	66%	0.664	43%	0.433	S	S	*	.			trans	-150.2	150.8	167.7	59.2	0	0	0	0	109.8
115	Y	98.5	Very high	97.9	Very high	42 Å²	42	79.2 Å²	79.2	17%	0.165	43%	0.434	C	S	.	.			trans	-85.7	151.4	171	-65.4	-67.9	0	0	0	111.7	R38 V39 K40 N104 Q113	R38-Y115 HydrophobicContact CB-CD1 3.75Å; R38-Y115 HydrophobicContact CB-CD2 3.93Å; R38-Y115 HydrophobicContact CB-CE1 3.53Å; R38-Y115 HydrophobicContact CB-CE2 3.74Å; R38-Y115 HydrophobicContact CB-CG 3.94Å; R38-Y115 HydrophobicContact CG-CE1 4.16Å; R38-Y115 WeakPolarHBondContact O-CD2 3.32Å; V39-Y115 WeakPolarHBondContact O-CE2 3.14Å; K40-Y115 HydrophobicContact CB-CE2 4.49Å; N104-Y115 PolarHBondContact ND2-OH 3Å; Q113-Y115 VanDerWaalsContact NE2-CZ 3.34Å
116	H	98.2	Very high	97.9	Very high	89 Å²	89	75.5 Å²	75.5	41%	0.412	43%	0.428	S	S	.	.			trans	-88.7	135.2	174.8	-177.1	-88.9	0	0	0	109.7	G118 S120 P122	H116-G118 VanDerWaalsContact CE1-CA 3.45Å; H116-G118 WeakPolarHBondContact CE1-CA 3.34Å; H116-G118 PolarHBondContact CE1-N 3.06Å; H116-G118 WeakPolarHBondContact ND1-CA 3.45Å; H116-G118 PolarHBondContact ND1-N 3.12Å; H116-S120 PolarHBondContact CE1-O 3.14Å; H116-S120 PolarHBondContact NE2-O 3.36Å; H116-S120 PolarHBondContact NE2-OG 2.9Å; H116-P122 PolarHBondContact CE1-O 3.19Å
117	N	98.2	Very high	97.9	Very high	28 Å²	28	77.4 Å²	77.4	15%	0.15	43%	0.428	C	S	.	.			trans	-88.9	-1.1	-173.9	71	6.4	0	0	0	114.6	N119 G169 Y170 W171	N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.24Å; N117-N119 PolarHBondContact O-ND2 3.15Å; N117-N119 VanDerWaalsContact O-ND2 3.08Å; N117-N119 PolarHBondContact OD1-N 2.69Å; N117-G169 WeakPolarHBondContact CB-O 3.37Å; N117-G169 PolarHBondContact ND2-O 3.39Å; N117-Y170 HydrophobicContact CB-CD1 3.99Å; N117-Y170 HydrophobicContact CB-CE1 4.44Å; N117-W171 PolarHBondContact ND2-NE1 2.84Å
118	G	98.3	Very high	97.9	Very high	9 Å²	9	77.9 Å²	77.9	9%	0.093	43%	0.429	C	S	.	.	S	Bend	trans	80.3	-5.4	179.3	0	0	0	0	0	116.6	H116 R123 G124 F125	H116-G118 VanDerWaalsContact CE1-CA 3.45Å; H116-G118 WeakPolarHBondContact CE1-CA 3.34Å; H116-G118 PolarHBondContact CE1-N 3.06Å; H116-G118 WeakPolarHBondContact ND1-CA 3.45Å; H116-G118 PolarHBondContact ND1-N 3.12Å; G118-R123 VanDerWaalsContact O-CA 3.29Å; G118-R123 WeakPolarHBondContact O-CA 3.45Å; G118-G124 PolarHBondContact O-N 3.43Å; G118-F125 CarbonylContact C-O 3.11Å; G118-F125 VanDerWaalsContact C-O 3.31Å; G118-F125 VanDerWaalsContact CA-O 3.29Å; G118-F125 WeakPolarHBondContact CA-O 3.4Å
119	N	97.9	Very high	97.9	Very high	43 Å²	43	77.6 Å²	77.6	23%	0.23	44%	0.441	C	S	.	.	S	Bend	trans	-94.4	-4.4	-173.6	-70.6	-83.7	0	0	0	114.4	N117 G126 W171	N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.24Å; N117-N119 PolarHBondContact O-ND2 3.15Å; N117-N119 VanDerWaalsContact O-ND2 3.08Å; N117-N119 PolarHBondContact OD1-N 2.69Å; N119-G126 PolarHBondContact ND2-O 3.06Å; N119-G126 PolarHBondContact OD1-O 3.18Å; N119-W171 HydrophobicContact CB-CD2 4.3Å; N119-W171 HydrophobicContact CB-CH2 4.35Å; N119-W171 HydrophobicContact CB-CZ2 4.01Å
120	S	97.7	Very high	97.9	Very high	59 Å²	59	72 Å²	72	41%	0.413	41%	0.411	S	S	.	.	S	Bend	trans	-118.2	169.1	166.7	62.1	0	0	0	0	110.1	H116 P122 R123	H116-S120 PolarHBondContact CE1-O 3.14Å; H116-S120 PolarHBondContact NE2-O 3.36Å; H116-S120 PolarHBondContact NE2-OG 2.9Å; S120-P122 CarbonylContact O-C 3.48Å; S120-R123 WeakPolarHBondContact O-CG 3.36Å; S120-R123 PolarHBondContact O-N 3.37Å
121	D	96.9	Very high	97.9	Very high	118 Å²	118	71.8 Å²	71.8	63%	0.631	42%	0.42	S	S	*	.	S	Bend	trans	-65.6	134.9	179.5	-69.5	-46	0	0	0	111.8	R123	D121-R123 IonicContact OD1-CZ 2.79Å; D121-R123 IonicContact OD1-NH1 3.83Å; D121-R123 PolarHBondContact OD1-NH1 3.38Å; D121-R123 IonicContact OD2-CZ 3.53Å; D121-R123 IonicContact OD2-NH1 3.92Å; D121-R123 PolarHBondContact OD2-NH1 3.09Å
122	P	97.1	Very high	98	Very high	107 Å²	107	63.6 Å²	63.6	70%	0.695	38%	0.383	S	S	*	.	S	Bend	cis	-76.5	124.4	-2.7	31.8	-33.4	0	0	0	112.4	H116 S120	H116-P122 PolarHBondContact CE1-O 3.19Å; S120-P122 CarbonylContact O-C 3.48Å
123	R	97	Very high	98	Very high	165 Å²	165	63.4 Å²	63.4	62%	0.623	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-76.7	151.2	-178.9	-67.6	178.6	179.9	89.7	-1.6	112.3	G118 S120 D121	G118-R123 VanDerWaalsContact O-CA 3.29Å; G118-R123 WeakPolarHBondContact O-CA 3.45Å; S120-R123 WeakPolarHBondContact O-CG 3.36Å; S120-R123 PolarHBondContact O-N 3.37Å; D121-R123 IonicContact OD1-CZ 2.79Å; D121-R123 IonicContact OD1-NH1 3.83Å; D121-R123 PolarHBondContact OD1-NH1 3.38Å; D121-R123 IonicContact OD2-CZ 3.53Å; D121-R123 IonicContact OD2-NH1 3.92Å; D121-R123 PolarHBondContact OD2-NH1 3.09Å
124	G	97.6	Very high	98	Very high	66 Å²	66	64.1 Å²	64.1	68%	0.68	39%	0.389	S	S	*	.			trans	-167.2	-99.1	177.9	0	0	0	0	0	111.6	G118	G118-G124 PolarHBondContact O-N 3.43Å
125	F	98.3	Very high	98	Very high	73 Å²	73	59.8 Å²	59.8	32%	0.32	36%	0.358	S	S	.	.			trans	-56.9	137.8	170.7	171.4	-101.6	0	0	0	111.1	L37 G118 H127 I128 Y170	L37-F125 HydrophobicContact CD2-CD1 4.47Å; L37-F125 HydrophobicContact CD2-CE1 3.99Å; L37-F125 HydrophobicContact CD2-CE2 4.41Å; L37-F125 HydrophobicContact CD2-CZ 3.94Å; G118-F125 CarbonylContact C-O 3.11Å; G118-F125 VanDerWaalsContact C-O 3.31Å; G118-F125 VanDerWaalsContact CA-O 3.29Å; G118-F125 WeakPolarHBondContact CA-O 3.4Å; F125-H127 VanDerWaalsContact CZ-CA 3.41Å; F125-I128 HydrophobicContact CE2-CG2 4.4Å; F125-I128 HydrophobicContact CZ-CG2 4.14Å; F125-Y170 HydrophobicContact CD1-CD1 4.24Å; F125-Y170 AromaticContact CE1-CD1 3.89Å; F125-Y170 HydrophobicContact CE1-CD1 3.89Å
126	G	98.2	Very high	98	Very high	26 Å²	26	62.3 Å²	62.3	27%	0.268	37%	0.368	S	S	.	.			trans	-97.2	-68.9	176.9	0	0	0	0	0	112.1	N119	N119-G126 PolarHBondContact ND2-O 3.06Å; N119-G126 PolarHBondContact OD1-O 3.18Å
127	H	98.6	Very high	98	Very high	73 Å²	73	61.7 Å²	61.7	34%	0.338	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	165.7	-174.1	46.8	-92.3	0	0	0	110.8	F125 F163 W171 E173	F125-H127 VanDerWaalsContact CZ-CA 3.41Å; H127-F163 HydrophobicContact CB-CE1 4.29Å; H127-F163 AromaticContact CD2-CE1 3.82Å; H127-F163 AromaticContact CE1-CE1 3.63Å; H127-F163 AromaticContact CE1-CZ 3.87Å; H127-F163 AromaticContact CG-CE1 3.65Å; H127-F163 AromaticContact ND1-CE1 3.54Å; H127-F163 AromaticContact NE2-CE1 3.82Å; H127-W171 VanDerWaalsContact CA-O 3.28Å; H127-W171 WeakPolarHBondContact CA-O 3.39Å; H127-W171 HydrophobicContact CB-CB 3.82Å; H127-W171 WeakPolarHBondContact CB-O 3.5Å; H127-E173 IonicContact CD2-OE2 2.69Å; H127-E173 IonicContact NE2-OE2 2.69Å
128	I	98.8	Very high	98	Very high	27 Å²	27	61.2 Å²	61.2	14%	0.138	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	159.9	157	58.7	171.6	0	0	0	109.3	T35 Y49 L99 F125 W171 I172 E173	T35-I128 HydrophobicContact CG2-CG2 4.02Å; Y49-I128 HydrophobicContact CE1-CD1 4.28Å; L99-I128 HydrophobicContact CD1-CD1 4.46Å; L99-I128 HydrophobicContact CD2-CD1 4.31Å; F125-I128 HydrophobicContact CE2-CG2 4.4Å; F125-I128 HydrophobicContact CZ-CG2 4.14Å; I128-W171 PolarHBondContact N-O 3.41Å; I128-I172 HydrophobicContact CD1-CD1 4.19Å; I128-I172 HydrophobicContact CD1-CG1 4.09Å; I128-I172 HydrophobicContact CG1-CB 4.34Å; I128-I172 HydrophobicContact CG1-CD1 4.47Å; I128-I172 HydrophobicContact CG1-CG1 3.82Å; I128-I172 HydrophobicContact CG1-CG2 4.16Å; I128-I172 CarbonylContact O-C 3.55Å; I128-I172 WeakPolarHBondContact O-CA 3.43Å; I128-E173 PolarHBondContact O-N 3.1Å
129	G	98.5	Very high	98	Very high	49 Å²	49	61 Å²	61	51%	0.505	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.3	177.8	0	0	0	0	0	112.1
130	I	98.7	Very high	98	Very high	16 Å²	16	65.4 Å²	65.4	8%	0.082	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.5	175.9	-61	177.5	0	0	0	108.6	L53 Y75 V132 I172 E173 I174 L175	L53-I130 HydrophobicContact CD1-CD1 3.79Å; L53-I130 HydrophobicContact CD2-CD1 4.11Å; L53-I130 HydrophobicContact CG-CD1 4.37Å; Y75-I130 HydrophobicContact CE2-CG2 4.27Å; I130-V132 HydrophobicContact CG2-CG1 4.14Å; I130-I172 HydrophobicContact CD1-CG2 3.79Å; I130-I172 HydrophobicContact CG1-CG2 3.99Å; I130-E173 PolarHBondContact N-O 2.93Å; I130-I174 HydrophobicContact CB-CD1 4.26Å; I130-L175 PolarHBondContact O-N 3.13Å
131	A	98.3	Very high	98.1	Very high	67 Å²	67	67.6 Å²	67.6	55%	0.554	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	130	172.8	0	0	0	0	0	110.4	L175 P177	A131-L175 CarbonylContact C-O 3.59Å; A131-L175 WeakPolarHBondContact CA-O 3.44Å; A131-L175 HydrophobicContact CB-CD1 4.11Å; A131-P177 HydrophobicContact CB-CG 4.36Å
132	V	98.3	Very high	98.2	Very high	22 Å²	22	62.4 Å²	62.4	13%	0.133	36%	0.359	C	S	.	.			trans	-128.6	152.2	178.4	-62.6	0	0	0	0	110.9	I130 D134 V135 A138 I174 L175 N176	I130-V132 HydrophobicContact CG2-CG1 4.14Å; V132-D134 VanDerWaalsContact C-N 3.28Å; V132-D134 PolarHBondContact O-N 3.35Å; V132-V135 HydrophobicContact CG2-CB 4.45Å; V132-V135 HydrophobicContact CG2-CG2 3.84Å; V132-A138 HydrophobicContact CB-CB 4.47Å; V132-A138 HydrophobicContact CG1-CB 4.43Å; V132-A138 HydrophobicContact CG2-CB 4.2Å; V132-I174 HydrophobicContact CG1-CG2 4.22Å; V132-I174 HydrophobicContact CG2-CG2 3.64Å; V132-L175 PolarHBondContact N-O 3.46Å; V132-N176 WeakPolarHBondContact O-CA 3.39Å; V132-N176 WeakPolarHBondContact O-CB 3.35Å
133	P	97.7	Very high	98.2	Very high	123 Å²	123	62.8 Å²	62.8	80%	0.799	35%	0.351	S	S	*	.	S	Bend	trans	-67.8	-28	178	26.6	-35	0	0	0	113	N176	P133-N176 PolarHBondContact O-ND2 3.42Å
134	D	97.5	Very high	98.3	Very high	50 Å²	50	61.6 Å²	61.6	27%	0.267	35%	0.353	S	S	.	.			trans	-148.5	111.6	175.7	-179.6	21.5	0	0	0	111.6	V132 Y136 S137 A138	V132-D134 VanDerWaalsContact C-N 3.28Å; V132-D134 PolarHBondContact O-N 3.35Å; D134-Y136 VanDerWaalsContact C-N 3.29Å; D134-Y136 PolarHBondContact O-N 3.03Å; D134-Y136 PolarHBondContact OD1-N 3.22Å; D134-Y136 VanDerWaalsContact OD1-N 3.12Å; D134-S137 WeakPolarHBondContact OD2-CB 3.43Å; D134-S137 PolarHBondContact OD2-N 3.22Å; D134-S137 VanDerWaalsContact OD2-N 3.14Å; D134-S137 PolarHBondContact OD2-OG 2.66Å; D134-A138 VanDerWaalsContact O-CB 3.31Å; D134-A138 WeakPolarHBondContact O-CB 3.26Å; D134-A138 PolarHBondContact O-N 3.03Å
135	V	98	Very high	98.3	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-36.2	180	176.4	0	0	0	0	111.1	V132 C139 P153 G160 A162 I174 N176	V132-V135 HydrophobicContact CG2-CB 4.45Å; V132-V135 HydrophobicContact CG2-CG2 3.84Å; V135-C139 VanDerWaalsContact O-CB 3.25Å; V135-C139 WeakPolarHBondContact O-CB 3.5Å; V135-C139 PolarHBondContact O-N 2.77Å; V135-C139 PolarHBondContact O-SG 2.91Å; V135-P153 HydrophobicContact CG1-CB 4.26Å; V135-P153 HydrophobicContact CG1-CG 4.1Å; V135-G160 WeakPolarHBondContact CG2-O 3.35Å; V135-A162 HydrophobicContact CG1-CB 4.21Å; V135-I174 HydrophobicContact CG1-CG2 4.25Å; V135-I174 HydrophobicContact CG2-CG2 4.42Å; V135-N176 HydrophobicContact CG2-CB 4.01Å
136	Y	97.7	Very high	98.3	Very high	95 Å²	95	61.2 Å²	61.2	37%	0.373	35%	0.354	S	S	.	.	H	α-helix	trans	-70.8	-49.1	-176.7	-68.1	-83.7	0	0	0	111.6	D134 A138 C139 K140 P153 D154 G160	D134-Y136 VanDerWaalsContact C-N 3.29Å; D134-Y136 PolarHBondContact O-N 3.03Å; D134-Y136 PolarHBondContact OD1-N 3.22Å; D134-Y136 VanDerWaalsContact OD1-N 3.12Å; Y136-A138 VanDerWaalsContact C-N 3.35Å; Y136-A138 PolarHBondContact O-N 2.99Å; Y136-C139 PolarHBondContact O-N 3.38Å; Y136-K140 WeakPolarHBondContact O-CB 3.45Å; Y136-K140 PolarHBondContact O-N 3.3Å; Y136-P153 HydrophobicContact CD1-CB 3.9Å; Y136-P153 HydrophobicContact CD1-CG 4.38Å; Y136-P153 HydrophobicContact CE1-CB 3.65Å; Y136-D154 WeakPolarHBondContact CE1-OD1 3.39Å; Y136-D154 WeakPolarHBondContact CE1-OD2 3.12Å; Y136-D154 PolarHBondContact OH-OD1 3.47Å; Y136-G160 WeakPolarHBondContact OH-CA 3.41Å; Y136-G160 PolarHBondContact OH-N 3.48Å
137	S	98.3	Very high	98.3	Very high	77 Å²	77	60.8 Å²	60.8	54%	0.538	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-40.3	175.3	-64.2	0	0	0	0	112.3	D134 K140 R141	D134-S137 WeakPolarHBondContact OD2-CB 3.43Å; D134-S137 PolarHBondContact OD2-N 3.22Å; D134-S137 VanDerWaalsContact OD2-N 3.14Å; D134-S137 PolarHBondContact OD2-OG 2.66Å; S137-K140 PolarHBondContact O-N 3.05Å; S137-R141 PolarHBondContact O-N 3.22Å; S137-R141 VanDerWaalsContact O-N 3.16Å
138	A	98.6	Very high	98.3	Very high	18 Å²	18	64 Å²	64	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-61.6	-47.5	175	0	0	0	0	0	111.6	V132 D134 Y136 K140 R141 F142 I174	V132-A138 HydrophobicContact CB-CB 4.47Å; V132-A138 HydrophobicContact CG1-CB 4.43Å; V132-A138 HydrophobicContact CG2-CB 4.2Å; D134-A138 VanDerWaalsContact O-CB 3.31Å; D134-A138 WeakPolarHBondContact O-CB 3.26Å; D134-A138 PolarHBondContact O-N 3.03Å; Y136-A138 VanDerWaalsContact C-N 3.35Å; Y136-A138 PolarHBondContact O-N 2.99Å; A138-K140 PolarHBondContact O-N 2.99Å; A138-R141 WeakPolarHBondContact O-CB 3.41Å; A138-R141 PolarHBondContact O-N 2.93Å; A138-F142 HydrophobicContact CB-CE2 4.05Å; A138-F142 HydrophobicContact CB-CZ 4.25Å; A138-F142 VanDerWaalsContact O-CD2 3.29Å; A138-F142 WeakPolarHBondContact O-CD2 3.49Å; A138-F142 WeakPolarHBondContact O-CG 3.26Å; A138-F142 PolarHBondContact O-N 2.84Å; A138-I174 HydrophobicContact CB-CG2 4.48Å
139	C	98.4	Very high	98.3	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.034	36%	0.361	C	S	.	.	H	α-helix	trans	-67.1	-35	-179.6	-68.9	0	0	0	0	113.1	V135 Y136 F142 E143 F149 P153 A162	V135-C139 VanDerWaalsContact O-CB 3.25Å; V135-C139 WeakPolarHBondContact O-CB 3.5Å; V135-C139 PolarHBondContact O-N 2.77Å; V135-C139 PolarHBondContact O-SG 2.91Å; Y136-C139 PolarHBondContact O-N 3.38Å; C139-F142 PolarHBondContact O-N 3.18Å; C139-E143 PolarHBondContact O-N 3.42Å; C139-F149 HydrophobicContact CB-CE1 3.88Å; C139-F149 HydrophobicContact CB-CZ 3.75Å; C139-P153 HydrophobicContact CB-CG 3.61Å; C139-P153 VanDerWaalsContact SG-CG 3.54Å; C139-A162 WeakPolarHBondContact SG-CB 3.25Å
140	K	98.5	Very high	98.3	Very high	134 Å²	134	64.6 Å²	64.6	58%	0.583	35%	0.351	S	S	*	.	H	α-helix	trans	-59.4	-47.1	171.7	-177.3	-179.8	174.6	-174.5	0	111.2	Y136 S137 A138 F142 E143 E144	Y136-K140 WeakPolarHBondContact O-CB 3.45Å; Y136-K140 PolarHBondContact O-N 3.3Å; S137-K140 PolarHBondContact O-N 3.05Å; A138-K140 PolarHBondContact O-N 2.99Å; K140-F142 VanDerWaalsContact C-N 3.31Å; K140-F142 PolarHBondContact O-N 2.95Å; K140-E143 PolarHBondContact O-N 2.88Å; K140-E144 WeakPolarHBondContact CE-OE1 3.33Å; K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 2.7Å
141	R	98.6	Very high	98.2	Very high	105 Å²	105	65.6 Å²	65.6	40%	0.396	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-40.4	174.7	177.5	175.6	169.3	-80.2	0.3	111.7	R51 V52 S137 A138 E144 L145	R51-R141 PolarHBondContact O-NH2 3.45Å; V52-R141 PolarHBondContact O-NH1 2.82Å; V52-R141 PolarHBondContact O-NH2 2.74Å; S137-R141 PolarHBondContact O-N 3.22Å; S137-R141 VanDerWaalsContact O-N 3.16Å; A138-R141 WeakPolarHBondContact O-CB 3.41Å; A138-R141 PolarHBondContact O-N 2.93Å; R141-E144 PolarHBondContact O-N 2.97Å; R141-L145 HydrophobicContact CG-CD1 4.01Å; R141-L145 HydrophobicContact CG-CG 4.47Å; R141-L145 WeakPolarHBondContact O-CB 3.33Å; R141-L145 VanDerWaalsContact O-CG 3.26Å; R141-L145 WeakPolarHBondContact O-CG 3Å; R141-L145 PolarHBondContact O-N 3.19Å
142	F	98.7	Very high	98.2	Very high	10 Å²	10	66.1 Å²	66.1	4%	0.044	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-41.6	176.6	-61.9	-28.6	0	0	0	112	V52 L53 A138 C139 K140 L145 G146 V147 F149 I164 I174	V52-F142 HydrophobicContact CG1-CD1 3.81Å; V52-F142 HydrophobicContact CG1-CE1 4.02Å; L53-F142 HydrophobicContact CD2-CE1 3.95Å; L53-F142 HydrophobicContact CD2-CZ 3.85Å; A138-F142 HydrophobicContact CB-CE2 4.05Å; A138-F142 HydrophobicContact CB-CZ 4.25Å; A138-F142 VanDerWaalsContact O-CD2 3.29Å; A138-F142 WeakPolarHBondContact O-CD2 3.49Å; A138-F142 WeakPolarHBondContact O-CG 3.26Å; A138-F142 PolarHBondContact O-N 2.84Å; C139-F142 PolarHBondContact O-N 3.18Å; K140-F142 VanDerWaalsContact C-N 3.31Å; K140-F142 PolarHBondContact O-N 2.95Å; F142-L145 CarbonylContact O-C 3.52Å; F142-L145 PolarHBondContact O-N 2.81Å; F142-G146 PolarHBondContact O-N 2.67Å; F142-V147 HydrophobicContact CB-CB 3.85Å; F142-V147 HydrophobicContact CB-CG1 4.25Å; F142-V147 HydrophobicContact CB-CG2 3.92Å; F142-V147 HydrophobicContact CD1-CG2 4.43Å; F142-V147 HydrophobicContact CG-CG2 4.47Å; F142-V147 VanDerWaalsContact O-CB 3.26Å; F142-V147 WeakPolarHBondContact O-CB 3.18Å; F142-V147 VanDerWaalsContact O-CG2 3.31Å; F142-V147 WeakPolarHBondContact O-CG2 3.48Å; F142-V147 PolarHBondContact O-N 3.46Å; F142-F149 HydrophobicContact CB-CE2 4.11Å; F142-F149 HydrophobicContact CB-CZ 3.89Å; F142-F149 HydrophobicContact CD2-CZ 4.46Å; F142-I164 HydrophobicContact CD2-CD1 4.29Å; F142-I164 HydrophobicContact CD2-CG2 4.15Å; F142-I164 HydrophobicContact CE2-CD1 4.21Å; F142-I174 HydrophobicContact CE2-CD1 3.88Å; F142-I174 HydrophobicContact CE2-CG1 3.93Å; F142-I174 HydrophobicContact CE2-CG2 4.24Å; F142-I174 HydrophobicContact CZ-CD1 4.32Å
143	E	98	Very high	98.1	Very high	114 Å²	114	65.7 Å²	65.7	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.2	-173.7	160	-149.1	0	0	111.9	C139 K140 L145 G146 F149 K152	C139-E143 PolarHBondContact O-N 3.42Å; K140-E143 PolarHBondContact O-N 2.88Å; E143-L145 PolarHBondContact O-N 2.87Å; E143-G146 PolarHBondContact O-N 2.8Å; E143-F149 HydrophobicContact CB-CE2 4.35Å; E143-K152 IonicContact OE1-NZ 3.75Å; E143-K152 PolarHBondContact OE1-NZ 2.86Å; E143-K152 IonicContact OE2-NZ 3.4Å
144	E	98.5	Very high	97.9	Very high	140 Å²	140	63.7 Å²	63.7	65%	0.654	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-30.6	174.3	-71.2	169.9	-177	0	0	112.9	K140 R141 G146	K140-E144 WeakPolarHBondContact CE-OE1 3.33Å; K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 2.7Å; R141-E144 PolarHBondContact O-N 2.97Å; E144-G146 VanDerWaalsContact C-N 3.32Å
145	L	98.5	Very high	97.7	Very high	65 Å²	65	65.1 Å²	65.1	34%	0.34	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3	176.4	-66.2	176	0	0	0	113.7	V52 R141 F142 E143 V147	V52-L145 HydrophobicContact CG1-CD1 4.35Å; V52-L145 HydrophobicContact CG2-CD1 4.42Å; R141-L145 HydrophobicContact CG-CD1 4.01Å; R141-L145 HydrophobicContact CG-CG 4.47Å; R141-L145 WeakPolarHBondContact O-CB 3.33Å; R141-L145 VanDerWaalsContact O-CG 3.26Å; R141-L145 WeakPolarHBondContact O-CG 3Å; R141-L145 PolarHBondContact O-N 3.19Å; F142-L145 CarbonylContact O-C 3.52Å; F142-L145 PolarHBondContact O-N 2.81Å; E143-L145 PolarHBondContact O-N 2.87Å; L145-V147 VanDerWaalsContact C-N 3.35Å; L145-V147 HydrophobicContact CB-CG2 4.27Å
146	G	98.3	Very high	97.2	Very high	67 Å²	67	67.7 Å²	67.7	69%	0.691	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	23.6	179.3	0	0	0	0	0	114.4	F142 E143 E144	F142-G146 PolarHBondContact O-N 2.67Å; E143-G146 PolarHBondContact O-N 2.8Å; E144-G146 VanDerWaalsContact C-N 3.32Å
147	V	98.6	Very high	96.6	Very high	17 Å²	17	73 Å²	73	10%	0.103	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-69.2	137	178.8	176.8	0	0	0	0	110.5	F48 V52 F142 L145 F149 I164	F48-V147 HydrophobicContact CE2-CG1 4.24Å; F48-V147 HydrophobicContact CE2-CG2 4.45Å; V52-V147 HydrophobicContact CG1-CG2 3.52Å; V52-V147 HydrophobicContact CG2-CG2 4.42Å; F142-V147 HydrophobicContact CB-CB 3.85Å; F142-V147 HydrophobicContact CB-CG1 4.25Å; F142-V147 HydrophobicContact CB-CG2 3.92Å; F142-V147 HydrophobicContact CD1-CG2 4.43Å; F142-V147 HydrophobicContact CG-CG2 4.47Å; F142-V147 VanDerWaalsContact O-CB 3.26Å; F142-V147 WeakPolarHBondContact O-CB 3.18Å; F142-V147 VanDerWaalsContact O-CG2 3.31Å; F142-V147 WeakPolarHBondContact O-CG2 3.48Å; F142-V147 PolarHBondContact O-N 3.46Å; L145-V147 VanDerWaalsContact C-N 3.35Å; L145-V147 HydrophobicContact CB-CG2 4.27Å; V147-F149 WeakPolarHBondContact O-CD2 3.26Å; V147-I164 HydrophobicContact CG1-CB 3.77Å; V147-I164 HydrophobicContact CG1-CD1 4.09Å; V147-I164 HydrophobicContact CG1-CG1 4.45Å; V147-I164 HydrophobicContact CG1-CG2 3.91Å
148	K	98.5	Very high	96.1	Very high	139 Å²	139	73.1 Å²	73.1	60%	0.604	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-78.5	126.7	177.1	-175.6	167.9	179	-178.4	0	111.2	I164 Q165	K148-I164 CarbonylContact O-C 3.31Å; K148-I164 WeakPolarHBondContact O-CA 3.49Å; K148-Q165 HydrophobicContact CB-CB 4.47Å; K148-Q165 PolarHBondContact O-N 2.86Å
149	F	98.5	Very high	95.7	Very high	39 Å²	39	77.3 Å²	77.3	17%	0.171	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	140	173.3	-76.5	-97.7	0	0	0	111.3	C139 F142 E143 V147 K152 A162 I164	C139-F149 HydrophobicContact CB-CE1 3.88Å; C139-F149 HydrophobicContact CB-CZ 3.75Å; F142-F149 HydrophobicContact CB-CE2 4.11Å; F142-F149 HydrophobicContact CB-CZ 3.89Å; F142-F149 HydrophobicContact CD2-CZ 4.46Å; E143-F149 HydrophobicContact CB-CE2 4.35Å; V147-F149 WeakPolarHBondContact O-CD2 3.26Å; F149-K152 HydrophobicContact CB-CG 4.17Å; F149-K152 HydrophobicContact CD1-CG 4.13Å; F149-K152 HydrophobicContact CG-CG 4.09Å; F149-A162 HydrophobicContact CE1-CB 4.24Å; F149-I164 HydrophobicContact CD1-CG2 3.77Å; F149-I164 HydrophobicContact CE1-CG2 3.65Å; F149-I164 HydrophobicContact CE2-CG2 4.43Å; F149-I164 HydrophobicContact CG-CG2 4.25Å; F149-I164 HydrophobicContact CZ-CG2 4Å
150	V	97.8	Very high	95.5	Very high	51 Å²	51	77.9 Å²	77.9	31%	0.309	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-40.2	161.2	176.5	0	0	0	0	109.7	F163 Q165 W171	V150-F163 HydrophobicContact CB-CB 3.78Å; V150-F163 HydrophobicContact CG1-CB 4.27Å; V150-F163 HydrophobicContact CG2-CB 4.47Å; V150-F163 PolarHBondContact N-O 3.09Å; V150-Q165 HydrophobicContact CG2-CG 3.37Å; V150-W171 HydrophobicContact CB-CD2 4.38Å; V150-W171 HydrophobicContact CB-CZ2 4.45Å; V150-W171 HydrophobicContact CG1-CD2 3.86Å; V150-W171 HydrophobicContact CG1-CE3 3.91Å; V150-W171 HydrophobicContact CG1-CH2 3.44Å; V150-W171 VanDerWaalsContact CG1-CH2 3.44Å; V150-W171 HydrophobicContact CG1-CZ2 3.35Å; V150-W171 HydrophobicContact CG1-CZ3 3.72Å; V150-W171 HydrophobicContact CG2-CD2 3.94Å; V150-W171 HydrophobicContact CG2-CG 3.99Å; V150-W171 HydrophobicContact CG2-CZ2 4.27Å
151	K	97.1	Very high	95.4	Very high	36 Å²	36	71.7 Å²	71.7	16%	0.157	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	121.2	179.6	-178.1	-163.2	174.9	-60.9	0	109.1	P153 D155 M158 L161 A162 F163	K151-P153 PolarHBondContact NZ-O 3.17Å; K151-D155 WeakPolarHBondContact CE-O 3.29Å; K151-D155 HydrophobicContact CG-CB 3.9Å; K151-D155 PolarHBondContact NZ-O 2.87Å; K151-M158 WeakPolarHBondContact CE-O 3.4Å; K151-M158 PolarHBondContact NZ-O 2.89Å; K151-L161 PolarHBondContact NZ-O 3.49Å; K151-A162 WeakPolarHBondContact O-CA 3.48Å; K151-A162 WeakPolarHBondContact O-CB 3.15Å; K151-F163 HydrophobicContact CB-CB 4.22Å; K151-F163 HydrophobicContact CB-CD2 4.36Å; K151-F163 HydrophobicContact CD-CD2 4.22Å; K151-F163 PolarHBondContact N-O 2.89Å; K151-F163 VanDerWaalsContact N-O 3.12Å; K151-F163 PolarHBondContact O-N 3.02Å
152	K	97.3	Very high	95.4	Very high	78 Å²	78	66.7 Å²	66.7	34%	0.339	35%	0.354	S	S	.	.			trans	-73.1	160.7	171.6	-63.8	-165.6	171	-162	0	111.1	E143 F149 D154 D155	E143-K152 IonicContact OE1-NZ 3.75Å; E143-K152 PolarHBondContact OE1-NZ 2.86Å; E143-K152 IonicContact OE2-NZ 3.4Å; F149-K152 HydrophobicContact CB-CG 4.17Å; F149-K152 HydrophobicContact CD1-CG 4.13Å; F149-K152 HydrophobicContact CG-CG 4.09Å; K152-D154 PolarHBondContact O-N 3.12Å; K152-D155 VanDerWaalsContact CB-OD2 3.26Å; K152-D155 WeakPolarHBondContact CB-OD2 3.31Å; K152-D155 PolarHBondContact N-OD2 3.25Å; K152-D155 PolarHBondContact O-N 3.3Å
153	P	96.1	Very high	95.3	Very high	13 Å²	13	67.5 Å²	67.5	8%	0.084	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-39.2	-176.1	-31.1	36.1	0	0	0	114.6	V135 Y136 C139 K151 K159 G160 L161 A162	V135-P153 HydrophobicContact CG1-CB 4.26Å; V135-P153 HydrophobicContact CG1-CG 4.1Å; Y136-P153 HydrophobicContact CD1-CB 3.9Å; Y136-P153 HydrophobicContact CD1-CG 4.38Å; Y136-P153 HydrophobicContact CE1-CB 3.65Å; C139-P153 HydrophobicContact CB-CG 3.61Å; C139-P153 VanDerWaalsContact SG-CG 3.54Å; K151-P153 PolarHBondContact NZ-O 3.17Å; P153-K159 CarbonylContact O-C 3.53Å; P153-K159 WeakPolarHBondContact O-CA 3.2Å; P153-G160 PolarHBondContact O-N 2.91Å; P153-L161 WeakPolarHBondContact CA-O 3.17Å; P153-L161 PolarHBondContact O-N 3.32Å; P153-A162 HydrophobicContact CG-CB 4.08Å
154	D	94.6	Very high	95.4	Very high	82 Å²	82	62.1 Å²	62.1	44%	0.439	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	9.5	-177.4	-64.1	-32.9	0	0	0	114.2	Y136 K152 K159	Y136-D154 WeakPolarHBondContact CE1-OD1 3.39Å; Y136-D154 WeakPolarHBondContact CE1-OD2 3.12Å; Y136-D154 PolarHBondContact OH-OD1 3.47Å; K152-D154 PolarHBondContact O-N 3.12Å; D154-K159 HydrophobicContact CB-CD 4.17Å; D154-K159 PolarHBondContact O-NZ 2.65Å
155	D	92.8	Very high	95.4	Very high	79 Å²	79	56.9 Å²	56.9	42%	0.422	31%	0.307	S	S	.	.	S	Bend	trans	-76	146.9	172.5	-69.1	-18.9	0	0	0	110.6	K151 K152	K151-D155 WeakPolarHBondContact CE-O 3.29Å; K151-D155 HydrophobicContact CG-CB 3.9Å; K151-D155 PolarHBondContact NZ-O 2.87Å; K152-D155 VanDerWaalsContact CB-OD2 3.26Å; K152-D155 WeakPolarHBondContact CB-OD2 3.31Å; K152-D155 PolarHBondContact N-OD2 3.25Å; K152-D155 PolarHBondContact O-N 3.3Å
156	G	87.8	Confident	95.4	Very high	57 Å²	57	54.1 Å²	54.1	59%	0.588	29%	0.293	S	S	*	.	S	Bend	trans	68.4	-159.6	176.6	0	0	0	0	0	114.7	K159	G156-K159 PolarHBondContact O-NZ 3.43Å
157	K	85.1	Confident	95.4	Very high	208 Å²	208	53.7 Å²	53.7	90%	0.904	28%	0.278	S	S	*	.	S	Bend	trans	-81.3	-38.9	-173.7	-65.6	-176.7	179.3	-179.9	0	113.3	K159	K157-K159 PolarHBondContact O-N 2.83Å
158	M	86.9	Confident	95.4	Very high	79 Å²	79	54 Å²	54	39%	0.389	28%	0.279	S	S	.	.	S	Bend	trans	-84.8	104.9	-179.7	-66	177.6	80.8	0	0	110	K151 L161 L183	K151-M158 WeakPolarHBondContact CE-O 3.4Å; K151-M158 PolarHBondContact NZ-O 2.89Å; M158-L161 HydrophobicContact CE-CD2 3.93Å; M158-L161 HydrophobicContact SD-CD2 4.29Å; M158-L183 HydrophobicContact CB-CD2 3.84Å; M158-L183 HydrophobicContact CE-CB 4.15Å; M158-L183 HydrophobicContact CG-CD2 4.35Å
159	K	91.3	Very high	95.4	Very high	106 Å²	106	48.1 Å²	48.1	46%	0.461	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	147.7	178.6	-56	-56.6	-172.6	-164.5	0	111.3	P153 D154 G156 K157 L161 L183	P153-K159 CarbonylContact O-C 3.53Å; P153-K159 WeakPolarHBondContact O-CA 3.2Å; D154-K159 HydrophobicContact CB-CD 4.17Å; D154-K159 PolarHBondContact O-NZ 2.65Å; G156-K159 PolarHBondContact O-NZ 3.43Å; K157-K159 PolarHBondContact O-N 2.83Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L183 WeakPolarHBondContact O-CD1 3.34Å; K159-L183 WeakPolarHBondContact O-CD2 3.21Å
160	G	93.8	Very high	95.5	Very high	16 Å²	16	47 Å²	47	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	18.9	-179.1	0	0	0	0	0	114.5	V135 Y136 P153	V135-G160 WeakPolarHBondContact CG2-O 3.35Å; Y136-G160 WeakPolarHBondContact OH-CA 3.41Å; Y136-G160 PolarHBondContact OH-N 3.48Å; P153-G160 PolarHBondContact O-N 2.91Å
161	L	96.3	Very high	95.5	Very high	5 Å²	5	48 Å²	48	3%	0.026	25%	0.251	C	S	.	.			trans	-130.4	135.1	175.7	-176.1	72.2	0	0	0	109.6	K151 P153 M158 K159 F163 E173 L175 M180 L183	K151-L161 PolarHBondContact NZ-O 3.49Å; P153-L161 WeakPolarHBondContact CA-O 3.17Å; P153-L161 PolarHBondContact O-N 3.32Å; M158-L161 HydrophobicContact CE-CD2 3.93Å; M158-L161 HydrophobicContact SD-CD2 4.29Å; K159-L161 VanDerWaalsContact C-N 3.31Å; L161-F163 HydrophobicContact CD2-CE2 4.1Å; L161-F163 HydrophobicContact CG-CE2 4.42Å; L161-E173 HydrophobicContact CD1-CG 3.85Å; L161-E173 WeakPolarHBondContact CD1-OE1 3.33Å; L161-L175 HydrophobicContact CD1-CB 3.64Å; L161-M180 HydrophobicContact CD1-CE 4.41Å; L161-M180 HydrophobicContact CD1-SD 4.17Å; L161-L183 HydrophobicContact CB-CD1 4.39Å
162	A	97.9	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	159.1	179.8	0	0	0	0	0	112.7	V135 C139 F149 K151 P153 I174	V135-A162 HydrophobicContact CG1-CB 4.21Å; C139-A162 WeakPolarHBondContact SG-CB 3.25Å; F149-A162 HydrophobicContact CE1-CB 4.24Å; K151-A162 WeakPolarHBondContact O-CA 3.48Å; K151-A162 WeakPolarHBondContact O-CB 3.15Å; P153-A162 HydrophobicContact CG-CB 4.08Å; A162-I174 HydrophobicContact CB-CB 4.31Å; A162-I174 PolarHBondContact N-O 3.22Å; A162-I174 PolarHBondContact O-N 3.16Å
163	F	98.5	Very high	95.6	Very high	27 Å²	27	44.2 Å²	44.2	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.8	169.2	-76.5	-92.9	0	0	0	109.4	H127 V150 K151 L161 W171 I172 E173	H127-F163 HydrophobicContact CB-CE1 4.29Å; H127-F163 AromaticContact CD2-CE1 3.82Å; H127-F163 AromaticContact CE1-CE1 3.63Å; H127-F163 AromaticContact CE1-CZ 3.87Å; H127-F163 AromaticContact CG-CE1 3.65Å; H127-F163 AromaticContact ND1-CE1 3.54Å; H127-F163 AromaticContact NE2-CE1 3.82Å; V150-F163 HydrophobicContact CB-CB 3.78Å; V150-F163 HydrophobicContact CG1-CB 4.27Å; V150-F163 HydrophobicContact CG2-CB 4.47Å; V150-F163 PolarHBondContact N-O 3.09Å; K151-F163 HydrophobicContact CB-CB 4.22Å; K151-F163 HydrophobicContact CB-CD2 4.36Å; K151-F163 HydrophobicContact CD-CD2 4.22Å; K151-F163 PolarHBondContact N-O 2.89Å; K151-F163 VanDerWaalsContact N-O 3.12Å; K151-F163 PolarHBondContact O-N 3.02Å; L161-F163 HydrophobicContact CD2-CE2 4.1Å; L161-F163 HydrophobicContact CG-CE2 4.42Å; F163-W171 HydrophobicContact CD1-CB 4.29Å; F163-W171 HydrophobicContact CD1-CE3 4.14Å; F163-I172 WeakPolarHBondContact CA-O 3.48Å; F163-E173 HydrophobicContact CD1-CB 4.05Å; F163-E173 HydrophobicContact CE1-CB 3.49Å; F163-E173 VanDerWaalsContact CE1-CB 3.49Å; F163-E173 HydrophobicContact CE1-CG 3.87Å; F163-E173 HydrophobicContact CE2-CG 4.12Å; F163-E173 HydrophobicContact CZ-CB 3.81Å; F163-E173 HydrophobicContact CZ-CG 3.61Å
164	I	98.7	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	167.4	173.1	64.7	176.4	0	0	0	110.5	F48 L53 F142 V147 K148 F149 W171 I172 I174	F48-I164 HydrophobicContact CZ-CD1 4.06Å; L53-I164 HydrophobicContact CD2-CD1 4.08Å; F142-I164 HydrophobicContact CD2-CD1 4.29Å; F142-I164 HydrophobicContact CD2-CG2 4.15Å; F142-I164 HydrophobicContact CE2-CD1 4.21Å; V147-I164 HydrophobicContact CG1-CB 3.77Å; V147-I164 HydrophobicContact CG1-CD1 4.09Å; V147-I164 HydrophobicContact CG1-CG1 4.45Å; V147-I164 HydrophobicContact CG1-CG2 3.91Å; K148-I164 CarbonylContact O-C 3.31Å; K148-I164 WeakPolarHBondContact O-CA 3.49Å; F149-I164 HydrophobicContact CD1-CG2 3.77Å; F149-I164 HydrophobicContact CE1-CG2 3.65Å; F149-I164 HydrophobicContact CE2-CG2 4.43Å; F149-I164 HydrophobicContact CG-CG2 4.25Å; F149-I164 HydrophobicContact CZ-CG2 4Å; I164-W171 WeakPolarHBondContact O-CA 3.31Å; I164-I172 HydrophobicContact CD1-CB 4.45Å; I164-I172 HydrophobicContact CG1-CB 3.82Å; I164-I172 HydrophobicContact CG1-CG2 4.4Å; I164-I172 PolarHBondContact N-O 3.09Å; I164-I172 PolarHBondContact O-N 3.27Å; I164-I174 HydrophobicContact CD1-CD1 4.07Å; I164-I174 HydrophobicContact CD1-CG1 4.38Å; I164-I174 HydrophobicContact CG1-CD1 4.37Å; I164-I174 HydrophobicContact CG1-CG1 4.35Å; I164-I174 HydrophobicContact CG2-CG1 4.5Å
165	Q	98.8	Very high	95.9	Very high	30 Å²	30	41.1 Å²	41.1	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.7	170.1	-56.9	-165.7	-82.5	0	0	111.3	F48 K148 V150 G169 Y170	F48-Q165 WeakPolarHBondContact CZ-O 3.49Å; K148-Q165 HydrophobicContact CB-CB 4.47Å; K148-Q165 PolarHBondContact O-N 2.86Å; V150-Q165 HydrophobicContact CG2-CG 3.37Å; Q165-G169 PolarHBondContact NE2-O 3.46Å; Q165-Y170 WeakPolarHBondContact CA-O 3.48Å
166	D	98.8	Very high	96.1	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.043	20%	0.2	C	C	.	.			trans	-75.8	177.2	161.4	89	-27.3	0	0	0	111	F48 Y49 D168 G169 Y170 I172	F48-D166 HydrophobicContact CD1-CB 3.93Å; F48-D166 HydrophobicContact CE1-CB 3.61Å; F48-D166 HydrophobicContact CZ-CB 4.12Å; Y49-D166 HydrophobicContact CE2-CB 4.38Å; Y49-D166 PolarHBondContact OH-OD2 3.4Å; D166-D168 PolarHBondContact O-N 3.49Å; D166-D168 WeakPolarHBondContact OD1-CA 3.06Å; D166-D168 PolarHBondContact OD1-N 3.47Å; D166-G169 PolarHBondContact O-N 2.89Å; D166-G169 PolarHBondContact OD1-N 3.28Å; D166-Y170 PolarHBondContact N-O 3.06Å; D166-Y170 VanDerWaalsContact N-O 3.09Å; D166-Y170 WeakPolarHBondContact OD1-CB 3.29Å; D166-Y170 PolarHBondContact OD1-N 3.08Å; D166-I172 HydrophobicContact CB-CD1 4.17Å
167	P	98.7	Very high	96.5	Very high	58 Å²	58	38.7 Å²	38.7	38%	0.377	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.7	179.9	-25.7	36.7	0	0	0	115.1	K44 F48	K44-P167 HydrophobicContact CB-CB 3.83Å; K44-P167 HydrophobicContact CB-CG 4.02Å; F48-P167 HydrophobicContact CB-CG 3.72Å; F48-P167 HydrophobicContact CD2-CG 4.4Å; F48-P167 HydrophobicContact CG-CG 4.07Å
168	D	98.8	Very high	96.9	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.123	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.1	177.8	-75.4	-85.2	0	0	0	112.4	V39 K40 S45 D166 Y170	V39-D168 WeakPolarHBondContact CA-OD2 3.48Å; V39-D168 WeakPolarHBondContact CB-OD2 3.48Å; K40-D168 WeakPolarHBondContact CB-OD1 3.32Å; K40-D168 PolarHBondContact N-OD1 3.44Å; K40-D168 PolarHBondContact N-OD2 2.78Å; S45-D168 PolarHBondContact OG-OD2 2.89Å; D166-D168 PolarHBondContact O-N 3.49Å; D166-D168 WeakPolarHBondContact OD1-CA 3.06Å; D166-D168 PolarHBondContact OD1-N 3.47Å; D168-Y170 HydrophobicContact CB-CD2 3.8Å; D168-Y170 HydrophobicContact CB-CE2 3.8Å
169	G	98.6	Very high	97.2	Very high	15 Å²	15	37.4 Å²	37.4	16%	0.155	19%	0.194	C	C	.	.			trans	88	5.4	176.5	0	0	0	0	0	114.6	N117 Q165 D166	N117-G169 WeakPolarHBondContact CB-O 3.37Å; N117-G169 PolarHBondContact ND2-O 3.39Å; Q165-G169 PolarHBondContact NE2-O 3.46Å; D166-G169 PolarHBondContact O-N 2.89Å; D166-G169 PolarHBondContact OD1-N 3.28Å
170	Y	98.9	Very high	96.9	Very high	17 Å²	17	33.5 Å²	33.5	7%	0.067	18%	0.178	C	C	.	.			trans	-62.4	137.3	172	-66.3	-66.4	0	0	0	110.5	L37 R38 N117 F125 Q165 D166 D168	L37-Y170 HydrophobicContact CB-CD2 4.35Å; L37-Y170 HydrophobicContact CB-CE2 3.97Å; L37-Y170 HydrophobicContact CD1-CD1 4.47Å; L37-Y170 HydrophobicContact CD1-CD2 3.96Å; L37-Y170 HydrophobicContact CD1-CE2 4.39Å; L37-Y170 HydrophobicContact CD1-CG 4Å; L37-Y170 HydrophobicContact CD2-CD1 4.18Å; L37-Y170 HydrophobicContact CD2-CE1 4.04Å; L37-Y170 HydrophobicContact CD2-CG 4.5Å; R38-Y170 VanDerWaalsContact O-CE2 3.28Å; R38-Y170 WeakPolarHBondContact O-CE2 3.42Å; R38-Y170 PolarHBondContact O-OH 2.81Å; N117-Y170 HydrophobicContact CB-CD1 3.99Å; N117-Y170 HydrophobicContact CB-CE1 4.44Å; F125-Y170 HydrophobicContact CD1-CD1 4.24Å; F125-Y170 AromaticContact CE1-CD1 3.89Å; F125-Y170 HydrophobicContact CE1-CD1 3.89Å; Q165-Y170 WeakPolarHBondContact CA-O 3.48Å; D166-Y170 PolarHBondContact N-O 3.06Å; D166-Y170 VanDerWaalsContact N-O 3.09Å; D166-Y170 WeakPolarHBondContact OD1-CB 3.29Å; D166-Y170 PolarHBondContact OD1-N 3.08Å; D168-Y170 HydrophobicContact CB-CD2 3.8Å; D168-Y170 HydrophobicContact CB-CE2 3.8Å
171	W	98.7	Very high	96.4	Very high	72 Å²	72	36.5 Å²	36.5	27%	0.273	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139.7	179.4	-70.2	19.3	0	0	0	109.4	N117 N119 H127 I128 V150 F163 I164	N117-W171 PolarHBondContact ND2-NE1 2.84Å; N119-W171 HydrophobicContact CB-CD2 4.3Å; N119-W171 HydrophobicContact CB-CH2 4.35Å; N119-W171 HydrophobicContact CB-CZ2 4.01Å; H127-W171 VanDerWaalsContact CA-O 3.28Å; H127-W171 WeakPolarHBondContact CA-O 3.39Å; H127-W171 HydrophobicContact CB-CB 3.82Å; H127-W171 WeakPolarHBondContact CB-O 3.5Å; I128-W171 PolarHBondContact N-O 3.41Å; V150-W171 HydrophobicContact CB-CD2 4.38Å; V150-W171 HydrophobicContact CB-CZ2 4.45Å; V150-W171 HydrophobicContact CG1-CD2 3.86Å; V150-W171 HydrophobicContact CG1-CE3 3.91Å; V150-W171 HydrophobicContact CG1-CH2 3.44Å; V150-W171 VanDerWaalsContact CG1-CH2 3.44Å; V150-W171 HydrophobicContact CG1-CZ2 3.35Å; V150-W171 HydrophobicContact CG1-CZ3 3.72Å; V150-W171 HydrophobicContact CG2-CD2 3.94Å; V150-W171 HydrophobicContact CG2-CG 3.99Å; V150-W171 HydrophobicContact CG2-CZ2 4.27Å; F163-W171 HydrophobicContact CD1-CB 4.29Å; F163-W171 HydrophobicContact CD1-CE3 4.14Å; I164-W171 WeakPolarHBondContact O-CA 3.31Å
172	I	98.9	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.4	175	-55.1	179.2	0	0	0	107.6	F48 Y49 L53 I128 I130 F163 I164 D166 I174	F48-I172 HydrophobicContact CE1-CD1 3.72Å; F48-I172 HydrophobicContact CZ-CD1 4.22Å; Y49-I172 HydrophobicContact CE1-CD1 3.9Å; L53-I172 HydrophobicContact CD1-CD1 3.76Å; I128-I172 HydrophobicContact CD1-CD1 4.19Å; I128-I172 HydrophobicContact CD1-CG1 4.09Å; I128-I172 HydrophobicContact CG1-CB 4.34Å; I128-I172 HydrophobicContact CG1-CD1 4.47Å; I128-I172 HydrophobicContact CG1-CG1 3.82Å; I128-I172 HydrophobicContact CG1-CG2 4.16Å; I128-I172 CarbonylContact O-C 3.55Å; I128-I172 WeakPolarHBondContact O-CA 3.43Å; I130-I172 HydrophobicContact CD1-CG2 3.79Å; I130-I172 HydrophobicContact CG1-CG2 3.99Å; F163-I172 WeakPolarHBondContact CA-O 3.48Å; I164-I172 HydrophobicContact CD1-CB 4.45Å; I164-I172 HydrophobicContact CG1-CB 3.82Å; I164-I172 HydrophobicContact CG1-CG2 4.4Å; I164-I172 PolarHBondContact N-O 3.09Å; I164-I172 PolarHBondContact O-N 3.27Å; D166-I172 HydrophobicContact CB-CD1 4.17Å; I172-I174 HydrophobicContact CG2-CD1 4.01Å
173	E	98.3	Very high	94.3	Very high	33 Å²	33	44 Å²	44	15%	0.154	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.7	174.8	-171.6	176.9	-153.1	0	0	110.2	H127 I128 I130 L161 F163 L175	H127-E173 IonicContact CD2-OE2 2.69Å; H127-E173 IonicContact NE2-OE2 2.69Å; I128-E173 PolarHBondContact O-N 3.1Å; I130-E173 PolarHBondContact N-O 2.93Å; L161-E173 HydrophobicContact CD1-CG 3.85Å; L161-E173 WeakPolarHBondContact CD1-OE1 3.33Å; F163-E173 HydrophobicContact CD1-CB 4.05Å; F163-E173 HydrophobicContact CE1-CB 3.49Å; F163-E173 VanDerWaalsContact CE1-CB 3.49Å; F163-E173 HydrophobicContact CE1-CG 3.87Å; F163-E173 HydrophobicContact CE2-CG 4.12Å; F163-E173 HydrophobicContact CZ-CB 3.81Å; F163-E173 HydrophobicContact CZ-CG 3.61Å; E173-L175 HydrophobicContact CG-CB 4.47Å; E173-L175 HydrophobicContact CG-CD2 4.16Å
174	I	98.5	Very high	93.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	110.8	176	-51.3	-62	0	0	0	107.7	I130 V132 V135 A138 F142 A162 I164 I172	I130-I174 HydrophobicContact CB-CD1 4.26Å; V132-I174 HydrophobicContact CG1-CG2 4.22Å; V132-I174 HydrophobicContact CG2-CG2 3.64Å; V135-I174 HydrophobicContact CG1-CG2 4.25Å; V135-I174 HydrophobicContact CG2-CG2 4.42Å; A138-I174 HydrophobicContact CB-CG2 4.48Å; F142-I174 HydrophobicContact CE2-CD1 3.88Å; F142-I174 HydrophobicContact CE2-CG1 3.93Å; F142-I174 HydrophobicContact CE2-CG2 4.24Å; F142-I174 HydrophobicContact CZ-CD1 4.32Å; A162-I174 HydrophobicContact CB-CB 4.31Å; A162-I174 PolarHBondContact N-O 3.22Å; A162-I174 PolarHBondContact O-N 3.16Å; I164-I174 HydrophobicContact CD1-CD1 4.07Å; I164-I174 HydrophobicContact CD1-CG1 4.38Å; I164-I174 HydrophobicContact CG1-CD1 4.37Å; I164-I174 HydrophobicContact CG1-CG1 4.35Å; I164-I174 HydrophobicContact CG2-CG1 4.5Å; I172-I174 HydrophobicContact CG2-CD1 4.01Å
175	L	97.5	Very high	92.9	Very high	31 Å²	31	54.9 Å²	54.9	16%	0.162	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.9	-171.5	68.6	87.6	0	0	0	112.1	I130 A131 V132 L161 E173 P177 M180	I130-L175 PolarHBondContact O-N 3.13Å; A131-L175 CarbonylContact C-O 3.59Å; A131-L175 WeakPolarHBondContact CA-O 3.44Å; A131-L175 HydrophobicContact CB-CD1 4.11Å; V132-L175 PolarHBondContact N-O 3.46Å; L161-L175 HydrophobicContact CD1-CB 3.64Å; E173-L175 HydrophobicContact CG-CB 4.47Å; E173-L175 HydrophobicContact CG-CD2 4.16Å; L175-P177 HydrophobicContact CD1-CB 4.42Å; L175-M180 HydrophobicContact CB-SD 3.91Å; L175-M180 HydrophobicContact CD1-CG 4.19Å
176	N	97	Very high	92.6	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.059	31%	0.31	C	S	.	.			trans	-113.3	112	167.8	176	-15.8	0	0	0	108.8	V132 P133 V135 N178 K179 M180	V132-N176 WeakPolarHBondContact O-CA 3.39Å; V132-N176 WeakPolarHBondContact O-CB 3.35Å; P133-N176 PolarHBondContact O-ND2 3.42Å; V135-N176 HydrophobicContact CG2-CB 4.01Å; N176-N178 PolarHBondContact O-N 2.68Å; N176-N178 VanDerWaalsContact O-N 3.13Å; N176-N178 WeakPolarHBondContact OD1-CB 3.42Å; N176-N178 PolarHBondContact OD1-N 2.55Å; N176-K179 HydrophobicContact CB-CB 4.3Å; N176-K179 PolarHBondContact O-N 3.14Å; N176-M180 WeakPolarHBondContact O-CG 3.41Å; N176-M180 PolarHBondContact O-N 3.12Å; N176-M180 VanDerWaalsContact O-N 3.1Å
177	P	95.4	Very high	92.2	Very high	73 Å²	73	58.9 Å²	58.9	47%	0.474	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-32	-174.5	24.3	-33.3	0	0	0	112.6	A131 L175 K179 M180	A131-P177 HydrophobicContact CB-CG 4.36Å; L175-P177 HydrophobicContact CD1-CB 4.42Å; P177-K179 PolarHBondContact O-N 2.89Å; P177-M180 PolarHBondContact O-N 3.28Å
178	N	94.7	Very high	91.9	Very high	147 Å²	147	58.9 Å²	58.9	79%	0.786	32%	0.322	S	S	*	.	H	α-helix	trans	-76.5	-8.4	179.8	-60.2	-42.5	0	0	0	113.6	N176	N176-N178 PolarHBondContact O-N 2.68Å; N176-N178 VanDerWaalsContact O-N 3.13Å; N176-N178 WeakPolarHBondContact OD1-CB 3.42Å; N176-N178 PolarHBondContact OD1-N 2.55Å
179	K	91.9	Very high	91.4	Very high	113 Å²	113	61.2 Å²	61.2	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-114.7	-9.4	176.1	-65	-172.7	178.1	-178.6	0	112.8	N176 P177 A181 T182	N176-K179 HydrophobicContact CB-CB 4.3Å; N176-K179 PolarHBondContact O-N 3.14Å; P177-K179 PolarHBondContact O-N 2.89Å; K179-A181 VanDerWaalsContact C-N 3.26Å; K179-A181 PolarHBondContact O-N 2.69Å; K179-T182 PolarHBondContact O-N 3.1Å; K179-T182 VanDerWaalsContact O-N 3.1Å; K179-T182 PolarHBondContact O-OG1 2.82Å
180	M	86.8	Confident	91	Very high	24 Å²	24	64.3 Å²	64.3	12%	0.118	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-32.4	179	-72.3	-52	-69.4	0	0	113.2	L161 L175 N176 P177 T182 L183 M184	L161-M180 HydrophobicContact CD1-CE 4.41Å; L161-M180 HydrophobicContact CD1-SD 4.17Å; L175-M180 HydrophobicContact CB-SD 3.91Å; L175-M180 HydrophobicContact CD1-CG 4.19Å; N176-M180 WeakPolarHBondContact O-CG 3.41Å; N176-M180 PolarHBondContact O-N 3.12Å; N176-M180 VanDerWaalsContact O-N 3.1Å; P177-M180 PolarHBondContact O-N 3.28Å; M180-T182 PolarHBondContact O-N 2.93Å; M180-T182 VanDerWaalsContact O-N 3.09Å; M180-L183 HydrophobicContact CE-CD1 4.34Å; M180-L183 WeakPolarHBondContact O-CA 3.13Å; M180-L183 WeakPolarHBondContact O-CB 3.43Å; M180-L183 PolarHBondContact O-N 3.46Å; M180-L183 HydrophobicContact SD-CD1 3.83Å; M180-M184 HydrophobicContact CB-CE 4.44Å; M180-M184 HydrophobicContact CE-CE 4.14Å; M180-M184 PolarHBondContact O-N 3.31Å
181	A	82	Confident	90.4	Very high	80 Å²	80	67.6 Å²	67.6	66%	0.661	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	177.1	0	0	0	0	0	113.7	K179 L183	K179-A181 VanDerWaalsContact C-N 3.26Å; K179-A181 PolarHBondContact O-N 2.69Å; A181-L183 VanDerWaalsContact C-N 3.31Å
182	T	80.7	Confident	89.8	Confident	122 Å²	122	67.3 Å²	67.3	75%	0.748	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.6	174.9	60.9	0	0	0	0	113.5	K179 M180	K179-T182 PolarHBondContact O-N 3.1Å; K179-T182 VanDerWaalsContact O-N 3.1Å; K179-T182 PolarHBondContact O-OG1 2.82Å; M180-T182 PolarHBondContact O-N 2.93Å; M180-T182 VanDerWaalsContact O-N 3.09Å
183	L	70.6	Confident	89	Confident	41 Å²	41	72.9 Å²	72.9	22%	0.215	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-18	-178.6	-72.9	160.8	0	0	0	113.4	M158 K159 L161 M180 A181	M158-L183 HydrophobicContact CB-CD2 3.84Å; M158-L183 HydrophobicContact CE-CB 4.15Å; M158-L183 HydrophobicContact CG-CD2 4.35Å; K159-L183 WeakPolarHBondContact O-CD1 3.34Å; K159-L183 WeakPolarHBondContact O-CD2 3.21Å; L161-L183 HydrophobicContact CB-CD1 4.39Å; M180-L183 HydrophobicContact CE-CD1 4.34Å; M180-L183 WeakPolarHBondContact O-CA 3.13Å; M180-L183 WeakPolarHBondContact O-CB 3.43Å; M180-L183 PolarHBondContact O-N 3.46Å; M180-L183 HydrophobicContact SD-CD1 3.83Å; A181-L183 VanDerWaalsContact C-N 3.31Å
184	M	74.4	Confident	88.1	Confident	200 Å²	200	76.5 Å²	76.5	99%	0.985	43%	0.427	S	S	*	.			trans	-96.8	0	178	-63.9	179.2	176.9	0	0	109.6	M180	M180-M184 HydrophobicContact CB-CE 4.44Å; M180-M184 HydrophobicContact CE-CE 4.14Å; M180-M184 PolarHBondContact O-N 3.31Å

Retrieved 184 of 184 residues in 185.7 ms (Link to these results)

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