A0A060WAY9_ONCMY Loading...

Metalloproteinase inhibitor 3

AlphaFold DB , UniProt , Accession A0A060WAY9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110490221, Length 214 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	53.9	Low	66.1	Low	219 Å²	219	117.5 Å²	117.5	100%	1.079	62%	0.618	S	S	*	*				0	-20.6	0	-71.3	172	75.7	0	0	114.2
2	Q	56.8	Low	66.4	Low	167 Å²	167	117.1 Å²	117.1	78%	0.78	62%	0.616	S	S	*	*	H	α-helix	trans	-73.1	-32.9	177.7	-71.5	172.9	-39	0	0	117.5	H6	Q2-H6 PolarHBondContact O-N 3.03Å
3	P	60	Low	66.5	Low	92 Å²	92	120.1 Å²	120.1	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-77.3	-30.4	-172.3	28.7	-32	0	0	0	112.8	C5 H6 Q7	P3-C5 VanDerWaalsContact C-N 3.33Å; P3-C5 PolarHBondContact O-N 3.25Å; P3-H6 PolarHBondContact O-N 2.87Å; P3-Q7 PolarHBondContact O-N 3.12Å; P3-Q7 VanDerWaalsContact O-N 3.08Å
4	L	62.7	Low	66.6	Low	119 Å²	119	117.3 Å²	117.3	62%	0.623	61%	0.612	S	S	*	*	H	α-helix	trans	-66.7	-36.9	178.2	-153	86.4	0	0	0	111.4	Q7 L8	L4-Q7 PolarHBondContact O-N 3.38Å; L4-L8 HydrophobicContact CG-CD1 4.46Å; L4-L8 WeakPolarHBondContact O-CB 3.03Å; L4-L8 PolarHBondContact O-N 2.97Å
5	C	68.4	Low	66.2	Low	72 Å²	72	118.1 Å²	118.1	49%	0.486	61%	0.609	S	S	.	*	H	α-helix	trans	-68.2	-42.4	178	-168.9	0	0	0	0	111.6	P3 L8 L9	P3-C5 VanDerWaalsContact C-N 3.33Å; P3-C5 PolarHBondContact O-N 3.25Å; C5-L8 PolarHBondContact O-N 2.97Å; C5-L9 WeakPolarHBondContact O-CB 3.47Å; C5-L9 PolarHBondContact O-N 2.97Å
6	H	68.5	Low	65.9	Low	134 Å²	134	114.9 Å²	114.9	62%	0.62	60%	0.6	S	S	*	*	H	α-helix	trans	-63.8	-41.3	174.7	-89.3	-64.1	0	0	0	112.5	Q2 P3 L9 S10	Q2-H6 PolarHBondContact O-N 3.03Å; P3-H6 PolarHBondContact O-N 2.87Å; H6-L9 PolarHBondContact O-N 2.9Å; H6-S10 WeakPolarHBondContact O-CB 3.25Å; H6-S10 PolarHBondContact O-N 3.34Å; H6-S10 PolarHBondContact O-OG 2.8Å; H6-S10 VanDerWaalsContact O-OG 3.12Å
7	Q	69.4	Low	65.5	Low	131 Å²	131	113.6 Å²	113.6	61%	0.612	60%	0.603	S	S	*	*	H	α-helix	trans	-65.6	-39.7	176	-73.4	-164.1	-38.3	0	0	112.5	P3 L4 S10 L11	P3-Q7 PolarHBondContact O-N 3.12Å; P3-Q7 VanDerWaalsContact O-N 3.08Å; L4-Q7 PolarHBondContact O-N 3.38Å; Q7-S10 PolarHBondContact O-N 2.89Å; Q7-L11 WeakPolarHBondContact O-CB 3.29Å; Q7-L11 PolarHBondContact O-N 3.1Å
8	L	71	Confident	65	Low	100 Å²	100	114.7 Å²	114.7	52%	0.524	61%	0.609	S	S	.	*	H	α-helix	trans	-63.4	-42	174.2	-99.9	142.8	0	0	0	112.5	L4 C5 L11 L12	L4-L8 HydrophobicContact CG-CD1 4.46Å; L4-L8 WeakPolarHBondContact O-CB 3.03Å; L4-L8 PolarHBondContact O-N 2.97Å; C5-L8 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.33Å
9	L	72.7	Confident	64.7	Low	90 Å²	90	116.9 Å²	116.9	47%	0.471	62%	0.615	S	S	.	*	H	α-helix	trans	-65.1	-42	175.4	-88.2	154.1	0	0	0	112.1	C5 H6 L12 F13	C5-L9 WeakPolarHBondContact O-CB 3.47Å; C5-L9 PolarHBondContact O-N 2.97Å; H6-L9 PolarHBondContact O-N 2.9Å; L9-L12 PolarHBondContact O-N 3.03Å; L9-F13 PolarHBondContact O-N 3.02Å
10	S	72.5	Confident	64.4	Low	73 Å²	73	118 Å²	118	51%	0.51	62%	0.619	S	S	.	*	H	α-helix	trans	-65.7	-41.1	175.5	-65.7	0	0	0	0	112.2	H6 Q7 F13 V14	H6-S10 WeakPolarHBondContact O-CB 3.25Å; H6-S10 PolarHBondContact O-N 3.34Å; H6-S10 PolarHBondContact O-OG 2.8Å; H6-S10 VanDerWaalsContact O-OG 3.12Å; Q7-S10 PolarHBondContact O-N 2.89Å; S10-F13 PolarHBondContact O-N 2.87Å; S10-V14 VanDerWaalsContact O-CG2 3.3Å; S10-V14 WeakPolarHBondContact O-CG2 3.43Å; S10-V14 PolarHBondContact O-N 3.45Å
11	L	71.4	Confident	63.5	Low	95 Å²	95	120.9 Å²	120.9	50%	0.497	63%	0.63	S	S	.	*	H	α-helix	trans	-62.8	-44.7	174	-91.7	149.2	0	0	0	111.5	Q7 L8 F13 V14 F15	Q7-L11 WeakPolarHBondContact O-CB 3.29Å; Q7-L11 PolarHBondContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 2.82Å; L11-F13 VanDerWaalsContact C-N 3.33Å; L11-F13 PolarHBondContact O-N 2.91Å; L11-V14 PolarHBondContact O-N 3.09Å; L11-F15 HydrophobicContact CD2-CD2 4.24Å; L11-F15 HydrophobicContact CD2-CE2 3.73Å; L11-F15 WeakPolarHBondContact O-CD2 3.29Å; L11-F15 PolarHBondContact O-N 2.8Å
12	L	69.7	Low	63.5	Low	113 Å²	113	118.7 Å²	118.7	59%	0.592	62%	0.617	S	S	*	*	H	α-helix	trans	-60.5	-41.1	175.1	-81.3	161.4	0	0	0	112.1	L8 L9 F15 S16	L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 3.03Å; L12-F15 PolarHBondContact O-N 2.82Å; L12-S16 VanDerWaalsContact O-CB 3.31Å; L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 PolarHBondContact O-OG 3.39Å; L12-S16 VanDerWaalsContact O-OG 3.06Å
13	F	67.1	Low	63.3	Low	156 Å²	156	117.4 Å²	117.4	68%	0.684	61%	0.614	S	S	*	*	H	α-helix	trans	-63	-43.4	175.3	-115.9	-88.7	0	0	0	112	L9 S10 L11 S16 S17	L9-F13 PolarHBondContact O-N 3.02Å; S10-F13 PolarHBondContact O-N 2.87Å; L11-F13 VanDerWaalsContact C-N 3.33Å; L11-F13 PolarHBondContact O-N 2.91Å; F13-S16 WeakPolarHBondContact CA-OG 3.32Å; F13-S16 PolarHBondContact O-N 3.15Å; F13-S16 PolarHBondContact O-OG 2.92Å; F13-S17 PolarHBondContact O-N 3.06Å; F13-S17 VanDerWaalsContact O-N 3.07Å; F13-S17 PolarHBondContact O-OG 3.29Å
14	V	67.4	Low	63.3	Low	81 Å²	81	119.2 Å²	119.2	49%	0.491	62%	0.624	S	S	.	*	H	α-helix	trans	-67.4	-40.6	177.5	173.1	0	0	0	0	111.9	S10 L11 S17 L18	S10-V14 VanDerWaalsContact O-CG2 3.3Å; S10-V14 WeakPolarHBondContact O-CG2 3.43Å; S10-V14 PolarHBondContact O-N 3.45Å; L11-V14 PolarHBondContact O-N 3.09Å; V14-S17 PolarHBondContact O-N 3.41Å; V14-S17 PolarHBondContact O-OG 2.85Å; V14-L18 HydrophobicContact CG1-CD1 4Å; V14-L18 WeakPolarHBondContact O-CD1 3.47Å; V14-L18 WeakPolarHBondContact O-CG 3.4Å; V14-L18 PolarHBondContact O-N 3.21Å
15	F	61.5	Low	63.6	Low	130 Å²	130	121.5 Å²	121.5	57%	0.57	63%	0.631	S	S	*	*	H	α-helix	trans	-67.7	-35.3	175.4	-84.8	-70.8	0	0	0	112.3	L11 L12 L18	L11-F15 HydrophobicContact CD2-CD2 4.24Å; L11-F15 HydrophobicContact CD2-CE2 3.73Å; L11-F15 WeakPolarHBondContact O-CD2 3.29Å; L11-F15 PolarHBondContact O-N 2.8Å; L12-F15 PolarHBondContact O-N 2.82Å; F15-L18 PolarHBondContact O-N 3.01Å
16	S	61	Low	64.4	Low	67 Å²	67	120.9 Å²	120.9	47%	0.469	63%	0.631	S	S	.	*	H	α-helix	trans	-71.9	-28.6	176.9	65.2	0	0	0	0	113.8	L12 F13	L12-S16 VanDerWaalsContact O-CB 3.31Å; L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 PolarHBondContact O-OG 3.39Å; L12-S16 VanDerWaalsContact O-OG 3.06Å; F13-S16 WeakPolarHBondContact CA-OG 3.32Å; F13-S16 PolarHBondContact O-N 3.15Å; F13-S16 PolarHBondContact O-OG 2.92Å
17	S	59.1	Low	65.5	Low	93 Å²	93	116 Å²	116	65%	0.65	61%	0.612	S	S	*	*	H	α-helix	trans	-80.1	-20.3	174.3	60.7	0	0	0	0	113.4	F13 V14 Q19	F13-S17 PolarHBondContact O-N 3.06Å; F13-S17 VanDerWaalsContact O-N 3.07Å; F13-S17 PolarHBondContact O-OG 3.29Å; V14-S17 PolarHBondContact O-N 3.41Å; V14-S17 PolarHBondContact O-OG 2.85Å; S17-Q19 VanDerWaalsContact C-N 3.3Å; S17-Q19 PolarHBondContact O-N 3.05Å
18	L	57.1	Low	66.6	Low	133 Å²	133	115 Å²	115	70%	0.696	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-7.8	175.4	-85.3	156.9	0	0	0	114.1	V14 F15	V14-L18 HydrophobicContact CG1-CD1 4Å; V14-L18 WeakPolarHBondContact O-CD1 3.47Å; V14-L18 WeakPolarHBondContact O-CG 3.4Å; V14-L18 PolarHBondContact O-N 3.21Å; F15-L18 PolarHBondContact O-N 3.01Å
19	Q	58.9	Low	67.6	Low	157 Å²	157	113 Å²	113	73%	0.734	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	9.4	-164.5	-138.7	166	-4.1	0	0	116.4	S17	S17-Q19 VanDerWaalsContact C-N 3.3Å; S17-Q19 PolarHBondContact O-N 3.05Å
20	I	57.9	Low	68.4	Low	137 Å²	137	113 Å²	113	70%	0.703	63%	0.626	S	S	*	*			trans	-134.5	81.7	179.5	-45.9	178.3	0	0	0	111.4
21	H	47.2	Very low	69.2	Low	180 Å²	180	113.8 Å²	113.8	83%	0.833	63%	0.625	S	S	*	*			trans	-129.2	65	141.5	-90.3	65.6	0	0	0	107	L23	H21-L23 VanDerWaalsContact C-N 3.29Å; H21-L23 PolarHBondContact O-N 3.3Å; H21-L23 VanDerWaalsContact O-N 3.07Å
22	Q	53.5	Low	70.2	Confident	172 Å²	172	110.8 Å²	110.8	80%	0.804	61%	0.612	S	S	*	*			trans	-69.5	101.5	155.3	-70.1	-127.1	-28.2	0	0	105.4	T24	Q22-T24 VanDerWaalsContact C-N 3.34Å; Q22-T24 PolarHBondContact O-N 2.78Å
23	L	51.8	Low	71.5	Confident	140 Å²	140	105.4 Å²	105.4	73%	0.733	58%	0.583	S	S	*	*			trans	-55.8	106	164.3	-72.2	164.9	0	0	0	105.8	H21 E25	H21-L23 VanDerWaalsContact C-N 3.29Å; H21-L23 PolarHBondContact O-N 3.3Å; H21-L23 VanDerWaalsContact O-N 3.07Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 2.93Å
24	T	61.1	Low	72.9	Confident	130 Å²	130	98.1 Å²	98.1	80%	0.798	55%	0.552	S	S	*	*			trans	-68.7	100.8	170.2	43.4	0	0	0	0	106.4	Q22 A26	Q22-T24 VanDerWaalsContact C-N 3.34Å; Q22-T24 PolarHBondContact O-N 2.78Å; T24-A26 PolarHBondContact O-N 2.88Å
25	E	69.4	Low	74.4	Confident	167 Å²	167	94.3 Å²	94.3	78%	0.78	53%	0.528	S	S	*	.			trans	-60.3	108.9	171.7	-73.2	-70.5	141.7	0	0	108.1	L23	L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 2.93Å
26	A	84.9	Confident	76.1	Confident	59 Å²	59	89.8 Å²	89.8	49%	0.488	51%	0.51	S	S	.	.			trans	-102.3	163.2	173.2	0	0	0	0	0	109.8	T24 S28	T24-A26 PolarHBondContact O-N 2.88Å; A26-S28 PolarHBondContact O-N 3.05Å; A26-S28 VanDerWaalsContact O-N 3.13Å
27	C	91.9	Very high	77.9	Confident	32 Å²	32	87 Å²	87	22%	0.216	49%	0.491	C	S	.	.			trans	-57.8	119.2	175.8	-178.2	0	0	0	0	111.8	E91 S92 C94 L120	C27-E91 WeakPolarHBondContact CB-O 3.37Å; C27-S92 PolarHBondContact N-O 2.05Å; C27-C94 HydrophobicContact CB-CB 3.95Å; C27-C94 WeakPolarHBondContact CB-SG 3.47Å; C27-C94 WeakPolarHBondContact SG-CA 3.5Å; C27-C94 WeakPolarHBondContact SG-CB 3.4Å; C27-C94 CovalentContact SG-SG 2.03Å; C27-C94 PolarHBondContact SG-SG 3.36Å; C27-L120 HydrophobicContact CB-CD1 4.41Å
28	S	92.1	Very high	79.7	Confident	110 Å²	110	83 Å²	83	77%	0.769	46%	0.462	S	S	*	.			trans	-120.7	130.3	172.5	-66	0	0	0	0	109.8	A26	A26-S28 PolarHBondContact O-N 3.05Å; A26-S28 VanDerWaalsContact O-N 3.13Å
29	C	91.7	Very high	81.7	Confident	57 Å²	57	77.9 Å²	77.9	39%	0.385	44%	0.437	S	S	.	.			trans	-113.2	136.5	-176.4	-60.6	0	0	0	0	111.2	C121	C29-C121 VanDerWaalsContact CA-SG 3.52Å; C29-C121 HydrophobicContact CB-CB 3.63Å; C29-C121 WeakPolarHBondContact CB-SG 3.15Å; C29-C121 WeakPolarHBondContact SG-CA 3.05Å; C29-C121 WeakPolarHBondContact SG-CB 3.31Å; C29-C121 PolarHBondContact SG-N 2.92Å; C29-C121 CovalentContact SG-SG 2.03Å; C29-C121 PolarHBondContact SG-SG 2.74Å
30	A	90.1	Very high	83.5	Confident	91 Å²	91	75.5 Å²	75.5	75%	0.752	43%	0.429	S	S	*	.			trans	-66	140.6	165.2	0	0	0	0	0	110.1	S32	A30-S32 PolarHBondContact O-N 2.78Å
31	L	88.1	Confident	85.4	Confident	90 Å²	90	69.2 Å²	69.2	47%	0.471	40%	0.398	S	S	.	.			trans	-67.7	129.5	176.2	-65.9	167	0	0	0	109.6	W168 M171 Y177	L31-W168 HydrophobicContact CB-CH2 4.17Å; L31-W168 HydrophobicContact CB-CZ3 4.38Å; L31-M171 HydrophobicContact CB-CE 3.52Å; L31-M171 HydrophobicContact CD1-CE 3.39Å; L31-M171 HydrophobicContact CD1-SD 3.37Å; L31-M171 WeakPolarHBondContact CD1-SD 3.36Å; L31-M171 HydrophobicContact CD2-CE 4.42Å; L31-M171 HydrophobicContact CG-CE 3.94Å; L31-M171 HydrophobicContact CG-SD 4.49Å; L31-Y177 HydrophobicContact CD2-CD2 4.36Å; L31-Y177 HydrophobicContact CD2-CE2 4.01Å
32	S	93.1	Very high	87.8	Confident	32 Å²	32	62.9 Å²	62.9	22%	0.224	37%	0.37	C	S	.	.			trans	-128.7	130.6	-177.5	179.5	0	0	0	0	110	A30 A37	A30-S32 PolarHBondContact O-N 2.78Å; S32-A37 PolarHBondContact OG-N 2.94Å
33	H	96.4	Very high	90	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.332	C	S	.	.			trans	-63	146.4	168.7	-174.7	-92.7	0	0	0	109.2	Q35 D36 A37 I150 W168 S182 Y185 W197	H33-Q35 WeakPolarHBondContact ND1-CB 3.44Å; H33-Q35 PolarHBondContact ND1-N 2.79Å; H33-Q35 PolarHBondContact O-N 2.79Å; H33-Q35 VanDerWaalsContact O-N 3.11Å; H33-D36 PolarHBondContact O-N 2.79Å; H33-A37 PolarHBondContact O-N 2.82Å; H33-I150 HydrophobicContact CB-CD1 3.87Å; H33-I150 HydrophobicContact CB-CG2 4.09Å; H33-I150 WeakPolarHBondContact ND1-CD1 3.23Å; H33-W168 HydrophobicContact CB-CD2 4.4Å; H33-W168 HydrophobicContact CB-CE3 4.4Å; H33-W168 HydrophobicContact CB-CH2 4.38Å; H33-W168 HydrophobicContact CB-CZ2 4.36Å; H33-W168 HydrophobicContact CB-CZ3 4.4Å; H33-W168 AromaticContact CD2-NE1 3.99Å; H33-S182 WeakPolarHBondContact NE2-CA 3.15Å; H33-Y185 PolarHBondContact CE1-O 3.27Å; H33-W197 AromaticContact CD2-CH2 3.83Å; H33-W197 AromaticContact CE1-CZ3 3.88Å; H33-W197 AromaticContact NE2-CH2 3.7Å; H33-W197 AromaticContact NE2-CZ3 3.68Å
34	P	97.3	Very high	92.2	Very high	3 Å²	3	48 Å²	48	2%	0.019	30%	0.297	C	S	.	.	H	α-helix	trans	-55.8	-30.4	179.3	-30.7	38.1	0	0	0	114.4	Y38 F123 Y142	P34-Y38 WeakPolarHBondContact O-CB 3.26Å; P34-Y38 PolarHBondContact O-N 2.92Å; P34-F123 HydrophobicContact CB-CD1 4.13Å; P34-F123 HydrophobicContact CB-CE1 3.78Å; P34-F123 HydrophobicContact CB-CE2 4.19Å; P34-F123 HydrophobicContact CB-CG 4.49Å; P34-F123 HydrophobicContact CB-CZ 3.82Å; P34-F123 HydrophobicContact CG-CD2 4.45Å; P34-F123 HydrophobicContact CG-CE1 4.3Å; P34-F123 HydrophobicContact CG-CE2 3.89Å; P34-F123 HydrophobicContact CG-CZ 3.81Å; P34-Y142 HydrophobicContact CB-CE2 4.14Å
35	Q	98.2	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-45.1	173.1	-176.1	173	-42.2	0	0	112.3	H33 A37 Y38 C39 Y142 G145 I150 C187	H33-Q35 WeakPolarHBondContact ND1-CB 3.44Å; H33-Q35 PolarHBondContact ND1-N 2.79Å; H33-Q35 PolarHBondContact O-N 2.79Å; H33-Q35 VanDerWaalsContact O-N 3.11Å; Q35-A37 VanDerWaalsContact C-N 3.29Å; Q35-A37 PolarHBondContact O-N 2.82Å; Q35-Y38 WeakPolarHBondContact O-CB 3.44Å; Q35-Y38 PolarHBondContact O-N 2.7Å; Q35-Y38 VanDerWaalsContact O-N 3.14Å; Q35-C39 WeakPolarHBondContact O-CB 3.33Å; Q35-C39 PolarHBondContact O-N 2.78Å; Q35-C39 PolarHBondContact O-SG 2.86Å; Q35-Y142 HydrophobicContact CB-CD1 3.51Å; Q35-Y142 HydrophobicContact CB-CE1 3.8Å; Q35-Y142 HydrophobicContact CB-CG 3.96Å; Q35-Y142 HydrophobicContact CG-CD1 3.64Å; Q35-Y142 HydrophobicContact CG-CE1 4.4Å; Q35-Y142 HydrophobicContact CG-CG 3.98Å; Q35-G145 VanDerWaalsContact NE2-C 3.34Å; Q35-G145 PolarHBondContact NE2-O 2.99Å; Q35-I150 HydrophobicContact CB-CD1 3.78Å; Q35-I150 HydrophobicContact CG-CD1 4.17Å; Q35-C187 PolarHBondContact NE2-O 3.23Å; Q35-C187 PolarHBondContact OE1-O 2.86Å
36	D	97.9	Very high	95.4	Very high	35 Å²	35	36.5 Å²	36.5	19%	0.187	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-40.1	177.3	-65.3	-33.5	0	0	0	110.4	H33 Y38 C39 N40	H33-D36 PolarHBondContact O-N 2.79Å; D36-Y38 VanDerWaalsContact C-N 3.29Å; D36-Y38 PolarHBondContact O-N 2.86Å; D36-C39 PolarHBondContact O-N 2.96Å; D36-N40 VanDerWaalsContact O-CB 3.25Å; D36-N40 WeakPolarHBondContact O-CB 3.47Å; D36-N40 VanDerWaalsContact O-CG 3.25Å; D36-N40 PolarHBondContact O-N 3.48Å; D36-N40 PolarHBondContact O-ND2 2.84Å
37	A	97.4	Very high	96	Very high	9 Å²	9	33.7 Å²	33.7	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-38.1	174.9	0	0	0	0	0	112.1	S32 H33 Q35 S41 F123	S32-A37 PolarHBondContact OG-N 2.94Å; H33-A37 PolarHBondContact O-N 2.82Å; Q35-A37 VanDerWaalsContact C-N 3.29Å; Q35-A37 PolarHBondContact O-N 2.82Å; A37-S41 VanDerWaalsContact O-CB 3.3Å; A37-S41 WeakPolarHBondContact O-CB 3.32Å; A37-S41 PolarHBondContact O-N 3.39Å; A37-S41 PolarHBondContact O-OG 2.95Å; A37-F123 HydrophobicContact CB-CB 3.39Å; A37-F123 HydrophobicContact CB-CG 4.31Å
38	Y	98.3	Very high	96.4	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.035	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-45.9	172	178.8	-79.8	0	0	0	111.8	P34 Q35 D36 V44 Y73 K74 I138 Y142 Q143	P34-Y38 WeakPolarHBondContact O-CB 3.26Å; P34-Y38 PolarHBondContact O-N 2.92Å; Q35-Y38 WeakPolarHBondContact O-CB 3.44Å; Q35-Y38 PolarHBondContact O-N 2.7Å; Q35-Y38 VanDerWaalsContact O-N 3.14Å; D36-Y38 VanDerWaalsContact C-N 3.29Å; D36-Y38 PolarHBondContact O-N 2.86Å; Y38-V44 HydrophobicContact CD2-CB 4.18Å; Y38-V44 HydrophobicContact CD2-CG1 3.98Å; Y38-V44 HydrophobicContact CD2-CG2 3.72Å; Y38-V44 HydrophobicContact CE2-CB 4.16Å; Y38-V44 HydrophobicContact CE2-CG1 4.16Å; Y38-V44 HydrophobicContact CE2-CG2 4.02Å; Y38-V44 HydrophobicContact CG-CG2 4.26Å; Y38-Y73 PolarHBondContact OH-O 2.81Å; Y38-K74 HydrophobicContact CD1-CD 4.42Å; Y38-K74 HydrophobicContact CE1-CD 4Å; Y38-K74 HydrophobicContact CE2-CB 4.29Å; Y38-K74 WeakPolarHBondContact O-CD 3.47Å; Y38-K74 PolarHBondContact O-NZ 2.97Å; Y38-I138 HydrophobicContact CE2-CG2 4.46Å; Y38-I138 WeakPolarHBondContact CE2-O 3.15Å; Y38-Y142 HydrophobicContact CD2-CD2 4.26Å; Y38-Y142 HydrophobicContact CG-CD2 4.14Å; Y38-Y142 HydrophobicContact CG-CG 4.43Å; Y38-Q143 HydrophobicContact CE1-CB 3.87Å
39	C	97.9	Very high	96.7	Very high	25 Å²	25	30.4 Å²	30.4	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-70.5	-37.6	-175.7	-66.2	0	0	0	0	112.7	Q35 D36 S41 K74 C146	Q35-C39 WeakPolarHBondContact O-CB 3.33Å; Q35-C39 PolarHBondContact O-N 2.78Å; Q35-C39 PolarHBondContact O-SG 2.86Å; D36-C39 PolarHBondContact O-N 2.96Å; C39-S41 VanDerWaalsContact C-N 3.34Å; C39-S41 PolarHBondContact O-N 2.89Å; C39-K74 PolarHBondContact O-NZ 2.84Å; C39-C146 VanDerWaalsContact CA-SG 3.53Å; C39-C146 HydrophobicContact CB-CB 3.8Å; C39-C146 WeakPolarHBondContact CB-SG 3.3Å; C39-C146 WeakPolarHBondContact SG-CA 3.48Å; C39-C146 WeakPolarHBondContact SG-CB 3.45Å; C39-C146 CovalentContact SG-SG 2.05Å; C39-C146 PolarHBondContact SG-SG 3.16Å
40	N	97.3	Very high	97	Very high	108 Å²	108	30.6 Å²	30.6	58%	0.578	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.7	-178.4	-65	-28.2	0	0	0	114.5	D36	D36-N40 VanDerWaalsContact O-CB 3.25Å; D36-N40 WeakPolarHBondContact O-CB 3.47Å; D36-N40 VanDerWaalsContact O-CG 3.25Å; D36-N40 PolarHBondContact O-N 3.48Å; D36-N40 PolarHBondContact O-ND2 2.84Å
41	S	98.1	Very high	97.4	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.035	15%	0.149	C	C	.	.			trans	-95.3	143.6	176.8	-64.1	0	0	0	0	111.5	A37 C39 K74 T108 G109	A37-S41 VanDerWaalsContact O-CB 3.3Å; A37-S41 WeakPolarHBondContact O-CB 3.32Å; A37-S41 PolarHBondContact O-N 3.39Å; A37-S41 PolarHBondContact O-OG 2.95Å; C39-S41 VanDerWaalsContact C-N 3.34Å; C39-S41 PolarHBondContact O-N 2.89Å; S41-K74 WeakPolarHBondContact O-CD 3.43Å; S41-K74 VanDerWaalsContact O-CE 3.24Å; S41-K74 WeakPolarHBondContact O-CE 3.4Å; S41-K74 PolarHBondContact O-NZ 3.26Å; S41-T108 WeakPolarHBondContact OG-CB 3.48Å; S41-G109 CarbonylContact C-O 3.52Å; S41-G109 WeakPolarHBondContact CB-O 3.19Å
42	D	98.2	Very high	97.8	Very high	47 Å²	47	28.9 Å²	28.9	25%	0.251	15%	0.153	S	C	.	.	S	Bend	trans	-74.2	-36.3	172.8	-68.5	-51.7	0	0	0	111.3	G75 K78 G109 R110 V111	D42-G75 WeakPolarHBondContact O-CA 3.3Å; D42-K78 HydrophobicContact CB-CG 4.43Å; D42-G109 PolarHBondContact N-O 3.34Å; D42-R110 VanDerWaalsContact OD2-CA 3.26Å; D42-R110 WeakPolarHBondContact OD2-CA 3.43Å; D42-R110 WeakPolarHBondContact OD2-CB 3.39Å; D42-V111 HydrophobicContact CB-CB 4.27Å; D42-V111 HydrophobicContact CB-CG2 3.98Å; D42-V111 PolarHBondContact OD2-N 3.11Å
43	I	98.3	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.9	-178.9	64.8	127.2	0	0	0	111.5	I45 K74 V82 G109 V111 V116	I43-I45 HydrophobicContact CD1-CD1 4.42Å; I43-I45 HydrophobicContact CD1-CG1 4.45Å; I43-I45 HydrophobicContact CD1-CG2 4.35Å; I43-K74 WeakPolarHBondContact CA-O 3.45Å; I43-V82 HydrophobicContact CD1-CG2 4.2Å; I43-G109 PolarHBondContact N-O 3.2Å; I43-G109 VanDerWaalsContact N-O 3.09Å; I43-G109 PolarHBondContact O-N 3.2Å; I43-V111 HydrophobicContact CG1-CG2 4.5Å; I43-V111 HydrophobicContact CG2-CG2 3.49Å; I43-V111 VanDerWaalsContact CG2-CG2 3.49Å; I43-V116 HydrophobicContact CD1-CB 4.2Å; I43-V116 HydrophobicContact CD1-CG1 3.26Å; I43-V116 HydrophobicContact CD1-CG2 3.83Å; I43-V116 HydrophobicContact CG1-CG1 3.87Å; I43-V116 HydrophobicContact CG1-CG2 4.25Å
44	V	98.6	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	116.1	172.4	-178.5	0	0	0	0	107.9	Y38 Y73 K74 L106 I107 T108 I138	Y38-V44 HydrophobicContact CD2-CB 4.18Å; Y38-V44 HydrophobicContact CD2-CG1 3.98Å; Y38-V44 HydrophobicContact CD2-CG2 3.72Å; Y38-V44 HydrophobicContact CE2-CB 4.16Å; Y38-V44 HydrophobicContact CE2-CG1 4.16Å; Y38-V44 HydrophobicContact CE2-CG2 4.02Å; Y38-V44 HydrophobicContact CG-CG2 4.26Å; V44-Y73 HydrophobicContact CG1-CD2 4.2Å; V44-Y73 PolarHBondContact O-N 2.93Å; V44-K74 HydrophobicContact CB-CB 3.87Å; V44-K74 HydrophobicContact CG2-CB 3.86Å; V44-K74 HydrophobicContact CG2-CD 4.16Å; V44-K74 PolarHBondContact N-O 3.35Å; V44-K74 PolarHBondContact O-N 3.37Å; V44-L106 HydrophobicContact CG1-CD1 3.7Å; V44-I107 WeakPolarHBondContact CA-O 3.35Å; V44-T108 HydrophobicContact CG1-CG2 4.07Å; V44-T108 HydrophobicContact CG2-CG2 4.02Å; V44-I138 HydrophobicContact CG1-CG2 4.1Å
45	I	98.6	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.5	-174.7	66.1	174.7	0	0	0	111.9	I43 A47 K71 M72 V82 I85 L106 I107	I43-I45 HydrophobicContact CD1-CD1 4.42Å; I43-I45 HydrophobicContact CD1-CG1 4.45Å; I43-I45 HydrophobicContact CD1-CG2 4.35Å; I45-A47 HydrophobicContact CD1-CB 4.02Å; I45-A47 HydrophobicContact CG1-CB 4.36Å; I45-K71 CarbonylContact C-O 3.6Å; I45-K71 VanDerWaalsContact CA-O 3.29Å; I45-K71 WeakPolarHBondContact CA-O 3.26Å; I45-M72 HydrophobicContact CG2-CB 4.17Å; I45-M72 HydrophobicContact CG2-CE 4.16Å; I45-M72 HydrophobicContact CG2-CG 4.09Å; I45-V82 HydrophobicContact CD1-CB 3.84Å; I45-V82 HydrophobicContact CD1-CG1 3.85Å; I45-V82 HydrophobicContact CD1-CG2 4.1Å; I45-V82 HydrophobicContact CG2-CG2 4.23Å; I45-I85 HydrophobicContact CD1-CD1 4.08Å; I45-L106 WeakPolarHBondContact O-CA 3.41Å; I45-I107 HydrophobicContact CG1-CB 4.14Å; I45-I107 PolarHBondContact N-O 3.4Å; I45-I107 PolarHBondContact O-N 3.33Å
46	R	98.7	Very high	97.8	Very high	55 Å²	55	48.1 Å²	48.1	21%	0.208	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.6	159.4	179.3	179.7	179.6	178.3	4.7	107.9	M70 K71 Y73 Y105 W127	R46-M70 HydrophobicContact CG-CB 4.44Å; R46-M70 HydrophobicContact CG-SD 4.47Å; R46-M70 WeakPolarHBondContact O-CA 3.13Å; R46-M70 WeakPolarHBondContact O-CB 3.46Å; R46-M70 PolarHBondContact O-N 2.87Å; R46-K71 HydrophobicContact CB-CB 4.37Å; R46-K71 PolarHBondContact N-O 3.19Å; R46-K71 PolarHBondContact O-N 3.26Å; R46-K71 VanDerWaalsContact O-N 3.1Å; R46-Y73 HydrophobicContact CB-CE2 3.8Å; R46-Y105 CarbonylContact C-O 3.57Å; R46-Y105 VanDerWaalsContact CA-O 3.27Å; R46-Y105 WeakPolarHBondContact CA-O 3.07Å; R46-W127 HydrophobicContact CB-CE3 4.41Å; R46-W127 HydrophobicContact CG-CD2 4.29Å; R46-W127 HydrophobicContact CG-CE3 4.17Å; R46-W127 VanDerWaalsContact NH1-NE1 3.19Å
47	A	98.6	Very high	97.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.3	-177.7	0	0	0	0	0	112.1	I45 V67 K68 Y105 I107	I45-A47 HydrophobicContact CD1-CB 4.02Å; I45-A47 HydrophobicContact CG1-CB 4.36Å; A47-V67 HydrophobicContact CB-CB 4.06Å; A47-V67 HydrophobicContact CB-CG2 4.38Å; A47-K68 WeakPolarHBondContact CA-O 3.45Å; A47-Y105 PolarHBondContact N-O 3.14Å; A47-Y105 PolarHBondContact O-N 2.85Å; A47-I107 HydrophobicContact CB-CD1 4.49Å
48	K	98.6	Very high	96.8	Very high	73 Å²	73	52.7 Å²	52.7	32%	0.317	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.5	169.1	-175.2	169	-179.9	171.6	0	109	V67 K68 N101	K48-V67 CarbonylContact O-C 3.58Å; K48-V67 WeakPolarHBondContact O-CA 3.5Å; K48-K68 PolarHBondContact N-O 2.89Å; K48-K68 PolarHBondContact O-N 3.32Å; K48-N101 VanDerWaalsContact CE-C 3.46Å; K48-N101 VanDerWaalsContact CE-CA 3.47Å; K48-N101 WeakPolarHBondContact CE-O 3.49Å; K48-N101 PolarHBondContact NZ-O 3.43Å
49	V	98.5	Very high	96.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123	176.7	176.5	0	0	0	0	108.2	Y65 V67 F98 I100 N101 Y105	V49-Y65 HydrophobicContact CG1-CD1 3.51Å; V49-Y65 HydrophobicContact CG1-CE1 4.23Å; V49-Y65 HydrophobicContact CG1-CG 4.26Å; V49-V67 HydrophobicContact CG2-CG1 4.02Å; V49-F98 HydrophobicContact CB-CB 4.29Å; V49-F98 HydrophobicContact CG1-CB 4.18Å; V49-F98 HydrophobicContact CG2-CB 3.72Å; V49-F98 HydrophobicContact CG2-CD1 4.3Å; V49-F98 HydrophobicContact CG2-CD2 4.46Å; V49-F98 HydrophobicContact CG2-CG 3.92Å; V49-I100 HydrophobicContact CG1-CG1 4.15Å; V49-N101 PolarHBondContact O-N 3.22Å; V49-Y105 HydrophobicContact CG2-CD2 4.17Å; V49-Y105 HydrophobicContact CG2-CE2 4.46Å
50	V	98.4	Very high	95.7	Very high	60 Å²	60	63.8 Å²	63.8	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-14.5	-173	-63.2	0	0	0	0	113.4	T66 K68	V50-T66 HydrophobicContact CG2-CG2 3.77Å; V50-T66 VanDerWaalsContact CG2-O 3.32Å; V50-T66 WeakPolarHBondContact CG2-O 3.24Å; V50-T66 PolarHBondContact N-O 3.36Å; V50-K68 HydrophobicContact CG1-CB 4.21Å
51	G	98.2	Very high	95.5	Very high	19 Å²	19	59.2 Å²	59.2	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	166.1	174.9	0	0	0	0	0	112.1	Y65 T66	G51-Y65 WeakPolarHBondContact O-CA 3.48Å; G51-T66 PolarHBondContact N-O 3.36Å; G51-T66 PolarHBondContact O-N 3.29Å
52	K	97.8	Very high	95.5	Very high	127 Å²	127	60 Å²	60	55%	0.552	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.8	173.5	76.2	-174.4	169.6	179.3	0	110.8	M63 R64 Y65 I100	K52-M63 HydrophobicContact CB-SD 3.98Å; K52-M63 HydrophobicContact CD-SD 4.22Å; K52-M63 HydrophobicContact CG-SD 4.18Å; K52-R64 CarbonylContact C-O 3.57Å; K52-R64 VanDerWaalsContact CA-O 3.29Å; K52-R64 WeakPolarHBondContact CA-O 2.99Å; K52-Y65 HydrophobicContact CB-CD1 3.6Å; K52-Y65 HydrophobicContact CB-CE1 3.59Å; K52-Y65 HydrophobicContact CB-CG 4.49Å; K52-Y65 HydrophobicContact CD-CE1 4.12Å; K52-Y65 HydrophobicContact CG-CE1 4.49Å; K52-I100 HydrophobicContact CB-CD1 4.14Å; K52-I100 HydrophobicContact CD-CD1 3.73Å; K52-I100 HydrophobicContact CG-CD1 3.72Å
53	K	97.9	Very high	95.4	Very high	119 Å²	119	59.2 Å²	59.2	52%	0.517	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	126.7	174.4	-175.2	178.5	-178.7	178.9	0	109	L55 R64	K53-L55 HydrophobicContact CD-CD2 4.03Å; K53-L55 HydrophobicContact CG-CD2 4.15Å; K53-R64 PolarHBondContact N-O 3.33Å; K53-R64 PolarHBondContact O-N 3.01Å
54	L	97.1	Very high	95.4	Very high	88 Å²	88	62.1 Å²	62.1	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.3	168.4	-178.6	64.3	0	0	0	108.9	M63 A89	L54-M63 HydrophobicContact CB-CE 4.18Å; L54-M63 HydrophobicContact CD1-CE 4.08Å; L54-A89 HydrophobicContact CD1-CB 3.47Å; L54-A89 VanDerWaalsContact CD1-CB 3.47Å
55	L	96.6	Very high	95.5	Very high	36 Å²	36	62.4 Å²	62.4	19%	0.188	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.4	171.5	-53	-178.5	0	0	0	108.1	K53 D57 G61 T62 R64 Y86	K53-L55 HydrophobicContact CD-CD2 4.03Å; K53-L55 HydrophobicContact CG-CD2 4.15Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 2.92Å; L55-G61 WeakPolarHBondContact O-CA 3.29Å; L55-T62 WeakPolarHBondContact CB-O 3.44Å; L55-T62 PolarHBondContact N-O 2.83Å; L55-T62 PolarHBondContact O-N 2.67Å; L55-R64 HydrophobicContact CD1-CB 4.01Å; L55-R64 HydrophobicContact CG-CB 4.18Å; L55-Y86 HydrophobicContact CD1-CD1 4.34Å; L55-Y86 HydrophobicContact CD1-CE1 4Å
56	K	92.2	Very high	95.5	Very high	196 Å²	196	64.8 Å²	64.8	85%	0.852	33%	0.334	S	S	*	.			trans	-98.3	57.2	177.5	-62.5	-175	179.1	-175.4	0	109.4	G58	K56-G58 VanDerWaalsContact C-N 3.35Å
57	D	89.4	Confident	95.5	Very high	98 Å²	98	62.6 Å²	62.6	52%	0.524	33%	0.326	S	S	.	.	S	Bend	trans	-92.6	7.8	-176.6	51.9	-4.5	0	0	0	113.5	L55 T62	L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 2.92Å; D57-T62 VanDerWaalsContact CG-OG1 3.32Å; D57-T62 WeakPolarHBondContact OD1-CB 3.23Å; D57-T62 PolarHBondContact OD1-N 3.31Å; D57-T62 VanDerWaalsContact OD1-N 3.15Å; D57-T62 PolarHBondContact OD1-OG1 2.82Å; D57-T62 WeakPolarHBondContact OD2-CB 3.35Å; D57-T62 PolarHBondContact OD2-OG1 2.71Å
58	G	85.5	Confident	95.4	Very high	42 Å²	42	69.5 Å²	69.5	43%	0.433	36%	0.356	S	S	.	.	S	Bend	trans	178.9	-176.5	176.8	0	0	0	0	0	112.2	K56 F60 G61	K56-G58 VanDerWaalsContact C-N 3.35Å; G58-F60 PolarHBondContact O-N 3.27Å; G58-G61 PolarHBondContact O-N 3.14Å
59	P	85.9	Confident	95.4	Very high	124 Å²	124	67.7 Å²	67.7	81%	0.805	35%	0.349	S	S	*	.	S	Bend	trans	-64.1	-28.2	-177.7	24.9	-33.5	0	0	0	113.2
60	F	87.7	Confident	95.4	Very high	143 Å²	143	72.2 Å²	72.2	63%	0.627	37%	0.371	S	S	*	.	S	Bend	trans	-99.3	-20.3	-177.1	-55.1	-57.6	0	0	0	113.9	G58 A89 L93	G58-F60 PolarHBondContact O-N 3.27Å; F60-A89 WeakPolarHBondContact O-CB 3.42Å; F60-L93 HydrophobicContact CB-CD1 3.5Å; F60-L93 VanDerWaalsContact CB-CD1 3.5Å; F60-L93 HydrophobicContact CD1-CD1 3.75Å; F60-L93 HydrophobicContact CD2-CD1 4.31Å; F60-L93 HydrophobicContact CG-CD1 3.58Å
61	G	93.2	Very high	95.4	Very high	11 Å²	11	73.9 Å²	73.9	11%	0.113	37%	0.374	C	S	.	.			trans	68.2	151.1	-180	0	0	0	0	0	114.8	L55 G58 A89	L55-G61 WeakPolarHBondContact O-CA 3.29Å; G58-G61 PolarHBondContact O-N 3.14Å; G61-A89 VanDerWaalsContact O-CB 3.26Å; G61-A89 WeakPolarHBondContact O-CB 3.47Å; G61-A89 PolarHBondContact O-N 2.64Å; G61-A89 VanDerWaalsContact O-N 3.11Å
62	T	96.9	Very high	95.4	Very high	23 Å²	23	73.6 Å²	73.6	14%	0.141	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.1	177.8	-55.4	0	0	0	0	110.6	L55 D57 Y86	L55-T62 WeakPolarHBondContact CB-O 3.44Å; L55-T62 PolarHBondContact N-O 2.83Å; L55-T62 PolarHBondContact O-N 2.67Å; D57-T62 VanDerWaalsContact CG-OG1 3.32Å; D57-T62 WeakPolarHBondContact OD1-CB 3.23Å; D57-T62 PolarHBondContact OD1-N 3.31Å; D57-T62 VanDerWaalsContact OD1-N 3.15Å; D57-T62 PolarHBondContact OD1-OG1 2.82Å; D57-T62 WeakPolarHBondContact OD2-CB 3.35Å; D57-T62 PolarHBondContact OD2-OG1 2.71Å; T62-Y86 HydrophobicContact CG2-CD1 4.01Å
63	M	97.9	Very high	95.4	Very high	29 Å²	29	68.7 Å²	68.7	14%	0.143	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118	169.4	-170.4	61.3	61.6	0	0	110	K52 L54 Y65 Y86 T87	K52-M63 HydrophobicContact CB-SD 3.98Å; K52-M63 HydrophobicContact CD-SD 4.22Å; K52-M63 HydrophobicContact CG-SD 4.18Å; L54-M63 HydrophobicContact CB-CE 4.18Å; L54-M63 HydrophobicContact CD1-CE 4.08Å; M63-Y65 HydrophobicContact CB-CE2 4.2Å; M63-Y65 HydrophobicContact CG-CD2 4.03Å; M63-Y65 HydrophobicContact CG-CE1 4.4Å; M63-Y65 HydrophobicContact CG-CE2 3.39Å; M63-Y86 WeakPolarHBondContact O-CA 3.13Å; M63-T87 HydrophobicContact CB-CG2 3.99Å; M63-T87 PolarHBondContact N-O 3.01Å; M63-T87 PolarHBondContact O-N 3.38Å
64	R	98.3	Very high	95.4	Very high	61 Å²	61	64.8 Å²	64.8	23%	0.23	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.9	173.2	-174.7	-174.8	69.7	177.7	7.5	110.4	K52 K53 L55 H84 I85 Y86	K52-R64 CarbonylContact C-O 3.57Å; K52-R64 VanDerWaalsContact CA-O 3.29Å; K52-R64 WeakPolarHBondContact CA-O 2.99Å; K53-R64 PolarHBondContact N-O 3.33Å; K53-R64 PolarHBondContact O-N 3.01Å; L55-R64 HydrophobicContact CD1-CB 4.01Å; L55-R64 HydrophobicContact CG-CB 4.18Å; R64-H84 HydrophobicContact CG-CB 4.18Å; R64-I85 CarbonylContact C-O 3.47Å; R64-I85 WeakPolarHBondContact CA-O 3.43Å; R64-Y86 HydrophobicContact CB-CD1 4.04Å; R64-Y86 HydrophobicContact CB-CE1 3.99Å; R64-Y86 HydrophobicContact CG-CD1 3.96Å; R64-Y86 HydrophobicContact CG-CE1 3.57Å
65	Y	98.7	Very high	95.4	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.3	172.4	-69.7	-80.8	0	0	0	111.1	V49 G51 K52 M63 H84 I85 T87 V96 F98	V49-Y65 HydrophobicContact CG1-CD1 3.51Å; V49-Y65 HydrophobicContact CG1-CE1 4.23Å; V49-Y65 HydrophobicContact CG1-CG 4.26Å; G51-Y65 WeakPolarHBondContact O-CA 3.48Å; K52-Y65 HydrophobicContact CB-CD1 3.6Å; K52-Y65 HydrophobicContact CB-CE1 3.59Å; K52-Y65 HydrophobicContact CB-CG 4.49Å; K52-Y65 HydrophobicContact CD-CE1 4.12Å; K52-Y65 HydrophobicContact CG-CE1 4.49Å; M63-Y65 HydrophobicContact CB-CE2 4.2Å; M63-Y65 HydrophobicContact CG-CD2 4.03Å; M63-Y65 HydrophobicContact CG-CE1 4.4Å; M63-Y65 HydrophobicContact CG-CE2 3.39Å; Y65-H84 VanDerWaalsContact O-CA 3.28Å; Y65-H84 WeakPolarHBondContact O-CA 3.48Å; Y65-I85 PolarHBondContact N-O 3.39Å; Y65-I85 PolarHBondContact O-N 3.28Å; Y65-T87 HydrophobicContact CD2-CG2 4.22Å; Y65-T87 HydrophobicContact CE2-CG2 3.78Å; Y65-V96 WeakPolarHBondContact CE2-O 3.27Å; Y65-V96 PolarHBondContact OH-O 3.09Å; Y65-F98 HydrophobicContact CD1-CB 4.28Å; Y65-F98 HydrophobicContact CD1-CD2 4.42Å; Y65-F98 AromaticContact CD2-CD2 3.76Å; Y65-F98 HydrophobicContact CD2-CD2 3.76Å; Y65-F98 HydrophobicContact CD2-CE2 4.38Å; Y65-F98 HydrophobicContact CE1-CB 3.93Å; Y65-F98 HydrophobicContact CE1-CD2 4.39Å; Y65-F98 AromaticContact CE2-CD2 3.74Å; Y65-F98 HydrophobicContact CE2-CD2 3.74Å; Y65-F98 HydrophobicContact CE2-CE2 4.5Å; Y65-F98 HydrophobicContact CG-CD2 4.1Å; Y65-F98 PolarHBondContact OH-N 3.05Å
66	T	98.7	Very high	95.4	Very high	50 Å²	50	64.6 Å²	64.6	31%	0.307	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.6	166.1	-56.6	0	0	0	0	108.1	V50 G51	V50-T66 HydrophobicContact CG2-CG2 3.77Å; V50-T66 VanDerWaalsContact CG2-O 3.32Å; V50-T66 WeakPolarHBondContact CG2-O 3.24Å; V50-T66 PolarHBondContact N-O 3.36Å; G51-T66 PolarHBondContact N-O 3.36Å; G51-T66 PolarHBondContact O-N 3.29Å
67	V	98.6	Very high	95.5	Very high	8 Å²	8	62 Å²	62	5%	0.048	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144	-176.1	-59.6	0	0	0	0	111.4	A47 K48 V49 V82 Q83 I85	A47-V67 HydrophobicContact CB-CB 4.06Å; A47-V67 HydrophobicContact CB-CG2 4.38Å; K48-V67 CarbonylContact O-C 3.58Å; K48-V67 WeakPolarHBondContact O-CA 3.5Å; V49-V67 HydrophobicContact CG2-CG1 4.02Å; V67-V82 HydrophobicContact CG2-CG1 4.17Å; V67-Q83 PolarHBondContact N-O 3.15Å; V67-I85 HydrophobicContact CB-CD1 4.48Å; V67-I85 HydrophobicContact CG1-CD1 3.74Å; V67-I85 HydrophobicContact CG1-CG1 4.04Å; V67-I85 HydrophobicContact CG2-CD1 4.06Å; V67-I85 HydrophobicContact CG2-CG1 4.04Å
68	K	98.5	Very high	95.8	Very high	145 Å²	145	63 Å²	63	63%	0.63	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	98.5	164.2	-175.3	176.5	-178.6	175.6	0	107.7	A47 K48 V50 M70	A47-K68 WeakPolarHBondContact CA-O 3.45Å; K48-K68 PolarHBondContact N-O 2.89Å; K48-K68 PolarHBondContact O-N 3.32Å; V50-K68 HydrophobicContact CG1-CB 4.21Å; K68-M70 PolarHBondContact O-N 3.08Å
69	Q	98.4	Very high	96.2	Very high	35 Å²	35	62.6 Å²	62.6	16%	0.164	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.6	174.4	-179.6	-175	-65.1	0	0	109.4
70	M	98	Very high	96.6	Very high	95 Å²	95	64.2 Å²	64.2	47%	0.468	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-39.2	178.2	-56.7	-179.6	69.5	0	0	111.5	R46 K68 Q104	R46-M70 HydrophobicContact CG-CB 4.44Å; R46-M70 HydrophobicContact CG-SD 4.47Å; R46-M70 WeakPolarHBondContact O-CA 3.13Å; R46-M70 WeakPolarHBondContact O-CB 3.46Å; R46-M70 PolarHBondContact O-N 2.87Å; K68-M70 PolarHBondContact O-N 3.08Å; M70-Q104 HydrophobicContact SD-CB 4.32Å; M70-Q104 HydrophobicContact SD-CG 3.72Å; M70-Q104 PolarHBondContact SD-OE1 3.29Å; M70-Q104 VanDerWaalsContact SD-OE1 3.39Å
71	K	98.1	Very high	97	Very high	96 Å²	96	61.7 Å²	61.7	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	140.8	177.5	-173.6	166.2	179.5	-176.2	0	110.3	I45 R46 Y73 N139	I45-K71 CarbonylContact C-O 3.6Å; I45-K71 VanDerWaalsContact CA-O 3.29Å; I45-K71 WeakPolarHBondContact CA-O 3.26Å; R46-K71 HydrophobicContact CB-CB 4.37Å; R46-K71 PolarHBondContact N-O 3.19Å; R46-K71 PolarHBondContact O-N 3.26Å; R46-K71 VanDerWaalsContact O-N 3.1Å; K71-Y73 HydrophobicContact CB-CE2 4.46Å; K71-Y73 HydrophobicContact CD-CD1 4.17Å; K71-Y73 HydrophobicContact CD-CE1 3.46Å; K71-Y73 VanDerWaalsContact CD-CE1 3.46Å; K71-Y73 VanDerWaalsContact CE-CE1 3.46Å; K71-Y73 HydrophobicContact CG-CD1 4.33Å; K71-Y73 HydrophobicContact CG-CE1 3.93Å; K71-Y73 HydrophobicContact CG-CE2 4.4Å; K71-N139 PolarHBondContact NZ-OD1 3.11Å
72	M	98.1	Very high	97.3	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.064	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.8	166.5	-177.8	175.3	-70.5	0	0	108.8	I45 K74 F76 M79 V82	I45-M72 HydrophobicContact CG2-CB 4.17Å; I45-M72 HydrophobicContact CG2-CE 4.16Å; I45-M72 HydrophobicContact CG2-CG 4.09Å; M72-K74 VanDerWaalsContact CG-O 3.29Å; M72-K74 WeakPolarHBondContact CG-O 3.47Å; M72-F76 HydrophobicContact CB-CD1 4.48Å; M72-F76 HydrophobicContact CB-CE1 3.79Å; M72-F76 HydrophobicContact CB-CZ 3.82Å; M72-F76 HydrophobicContact CG-CD1 4.19Å; M72-F76 HydrophobicContact CG-CD2 4.38Å; M72-F76 HydrophobicContact CG-CE1 3.89Å; M72-F76 HydrophobicContact CG-CE2 4.08Å; M72-F76 HydrophobicContact CG-CG 4.43Å; M72-F76 HydrophobicContact CG-CZ 3.84Å; M72-F76 VanDerWaalsContact O-CZ 3.25Å; M72-F76 WeakPolarHBondContact O-CZ 3.43Å; M72-F76 HydrophobicContact SD-CB 4.4Å; M72-F76 HydrophobicContact SD-CD1 3.61Å; M72-F76 HydrophobicContact SD-CD2 4.3Å; M72-F76 HydrophobicContact SD-CE1 3.9Å; M72-F76 HydrophobicContact SD-CG 3.84Å; M72-F76 HydrophobicContact SD-CZ 4.36Å; M72-M79 WeakPolarHBondContact CE-O 3.14Å; M72-V82 HydrophobicContact CE-CG2 4.07Å
73	Y	98	Very high	97.3	Very high	23 Å²	23	65.7 Å²	65.7	9%	0.09	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-24.4	177.2	-57.3	-80.4	0	0	0	112.2	Y38 V44 R46 K71 L106 W127 I138 N139	Y38-Y73 PolarHBondContact OH-O 2.81Å; V44-Y73 HydrophobicContact CG1-CD2 4.2Å; V44-Y73 PolarHBondContact O-N 2.93Å; R46-Y73 HydrophobicContact CB-CE2 3.8Å; K71-Y73 HydrophobicContact CB-CE2 4.46Å; K71-Y73 HydrophobicContact CD-CD1 4.17Å; K71-Y73 HydrophobicContact CD-CE1 3.46Å; K71-Y73 VanDerWaalsContact CD-CE1 3.46Å; K71-Y73 VanDerWaalsContact CE-CE1 3.46Å; K71-Y73 HydrophobicContact CG-CD1 4.33Å; K71-Y73 HydrophobicContact CG-CE1 3.93Å; K71-Y73 HydrophobicContact CG-CE2 4.4Å; Y73-L106 HydrophobicContact CD2-CD1 4.36Å; Y73-L106 HydrophobicContact CE2-CD1 4.27Å; Y73-W127 HydrophobicContact CE2-CH2 4.37Å; Y73-W127 HydrophobicContact CE2-CZ3 4.05Å; Y73-W127 AromaticContact CZ-CH2 3.77Å; Y73-W127 AromaticContact CZ-CZ3 3.92Å; Y73-W127 WeakPolarHBondContact OH-CH2 3.5Å; Y73-W127 WeakPolarHBondContact OH-CZ3 3.49Å; Y73-I138 HydrophobicContact CD1-CG2 3.82Å; Y73-I138 HydrophobicContact CD2-CG2 3.55Å; Y73-I138 HydrophobicContact CE1-CG2 4.17Å; Y73-I138 HydrophobicContact CE2-CG2 3.91Å; Y73-I138 HydrophobicContact CG-CG2 3.5Å; Y73-I138 VanDerWaalsContact CG-CG2 3.5Å; Y73-N139 VanDerWaalsContact CE1-OD1 3.23Å; Y73-N139 WeakPolarHBondContact CE1-OD1 3.35Å
74	K	97.9	Very high	97.4	Very high	37 Å²	37	66.8 Å²	66.8	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148.4	177	-170.2	-176.8	-175.9	-169.7	0	109.3	Y38 C39 S41 I43 V44 M72	Y38-K74 HydrophobicContact CD1-CD 4.42Å; Y38-K74 HydrophobicContact CE1-CD 4Å; Y38-K74 HydrophobicContact CE2-CB 4.29Å; Y38-K74 WeakPolarHBondContact O-CD 3.47Å; Y38-K74 PolarHBondContact O-NZ 2.97Å; C39-K74 PolarHBondContact O-NZ 2.84Å; S41-K74 WeakPolarHBondContact O-CD 3.43Å; S41-K74 VanDerWaalsContact O-CE 3.24Å; S41-K74 WeakPolarHBondContact O-CE 3.4Å; S41-K74 PolarHBondContact O-NZ 3.26Å; I43-K74 WeakPolarHBondContact CA-O 3.45Å; V44-K74 HydrophobicContact CB-CB 3.87Å; V44-K74 HydrophobicContact CG2-CB 3.86Å; V44-K74 HydrophobicContact CG2-CD 4.16Å; V44-K74 PolarHBondContact N-O 3.35Å; V44-K74 PolarHBondContact O-N 3.37Å; M72-K74 VanDerWaalsContact CG-O 3.29Å; M72-K74 WeakPolarHBondContact CG-O 3.47Å
75	G	96.6	Very high	97.4	Very high	3 Å²	3	63.9 Å²	63.9	3%	0.031	30%	0.301	C	S	.	.			trans	108	9.5	172	0	0	0	0	0	115.8	D42 N77 K78 M79	D42-G75 WeakPolarHBondContact O-CA 3.3Å; G75-N77 PolarHBondContact O-N 3.4Å; G75-N77 VanDerWaalsContact O-N 3.12Å; G75-K78 PolarHBondContact O-N 3.48Å; G75-M79 PolarHBondContact O-N 3Å
76	F	96	Very high	97.3	Very high	117 Å²	117	64.8 Å²	64.8	51%	0.513	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.5	179.3	-61.1	-83.2	0	0	0	113.8	M72 Q80	M72-F76 HydrophobicContact CB-CD1 4.48Å; M72-F76 HydrophobicContact CB-CE1 3.79Å; M72-F76 HydrophobicContact CB-CZ 3.82Å; M72-F76 HydrophobicContact CG-CD1 4.19Å; M72-F76 HydrophobicContact CG-CD2 4.38Å; M72-F76 HydrophobicContact CG-CE1 3.89Å; M72-F76 HydrophobicContact CG-CE2 4.08Å; M72-F76 HydrophobicContact CG-CG 4.43Å; M72-F76 HydrophobicContact CG-CZ 3.84Å; M72-F76 VanDerWaalsContact O-CZ 3.25Å; M72-F76 WeakPolarHBondContact O-CZ 3.43Å; M72-F76 HydrophobicContact SD-CB 4.4Å; M72-F76 HydrophobicContact SD-CD1 3.61Å; M72-F76 HydrophobicContact SD-CD2 4.3Å; M72-F76 HydrophobicContact SD-CE1 3.9Å; M72-F76 HydrophobicContact SD-CG 3.84Å; M72-F76 HydrophobicContact SD-CZ 4.36Å; F76-Q80 PolarHBondContact O-NE2 3.45Å
77	N	95.1	Very high	97.3	Very high	142 Å²	142	62.6 Å²	62.6	76%	0.759	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.8	175.9	63.5	-32.5	0	0	0	113.9	G75	G75-N77 PolarHBondContact O-N 3.4Å; G75-N77 VanDerWaalsContact O-N 3.12Å
78	K	95.8	Very high	97.2	Very high	119 Å²	119	65.5 Å²	65.5	52%	0.517	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-36.1	-179.3	-64.6	-69.4	-170.3	172.4	0	111.9	D42 G75 V111	D42-K78 HydrophobicContact CB-CG 4.43Å; G75-K78 PolarHBondContact O-N 3.48Å; K78-V111 HydrophobicContact CB-CG2 4.24Å
79	M	94.5	Very high	97.1	Very high	34 Å²	34	60.2 Å²	60.2	17%	0.167	29%	0.289	C	S	.	.			trans	-156.1	133.6	-177.3	-172.9	172.8	-71.7	0	0	110.1	M72 G75 V82 V111 G114 V116	M72-M79 WeakPolarHBondContact CE-O 3.14Å; G75-M79 PolarHBondContact O-N 3Å; M79-V82 HydrophobicContact CG-CG2 4.49Å; M79-V82 HydrophobicContact SD-CB 4.29Å; M79-V82 HydrophobicContact SD-CG2 3.71Å; M79-V111 HydrophobicContact CE-CG1 4.35Å; M79-G114 WeakPolarHBondContact CE-O 3.47Å; M79-V116 HydrophobicContact CE-CG2 3.97Å; M79-V116 HydrophobicContact SD-CG2 3.85Å
80	Q	94.2	Very high	96.8	Very high	158 Å²	158	60.8 Å²	60.8	74%	0.738	30%	0.297	S	S	*	.	S	Bend	trans	-73.7	-39.4	178.4	-65.3	-59.3	-34.4	0	0	112.1	F76	F76-Q80 PolarHBondContact O-NE2 3.45Å
81	H	96.7	Very high	96.6	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.417	29%	0.293	S	S	.	.			trans	-152.2	131.1	-176.9	-174	76.2	0	0	0	112
82	V	97.9	Very high	96.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.			trans	-94.9	111	179.4	-176.3	0	0	0	0	110	I43 I45 V67 M72 M79 I85 V116	I43-V82 HydrophobicContact CD1-CG2 4.2Å; I45-V82 HydrophobicContact CD1-CB 3.84Å; I45-V82 HydrophobicContact CD1-CG1 3.85Å; I45-V82 HydrophobicContact CD1-CG2 4.1Å; I45-V82 HydrophobicContact CG2-CG2 4.23Å; V67-V82 HydrophobicContact CG2-CG1 4.17Å; M72-V82 HydrophobicContact CE-CG2 4.07Å; M79-V82 HydrophobicContact CG-CG2 4.49Å; M79-V82 HydrophobicContact SD-CB 4.29Å; M79-V82 HydrophobicContact SD-CG2 3.71Å; V82-I85 HydrophobicContact CG1-CD1 4.44Å; V82-I85 HydrophobicContact CG1-CG1 3.9Å; V82-V116 HydrophobicContact CG1-CB 4.33Å; V82-V116 HydrophobicContact CG1-CG2 3.87Å; V82-V116 HydrophobicContact CG2-CG2 4.02Å
83	Q	98.1	Very high	96	Very high	117 Å²	117	60.9 Å²	60.9	55%	0.547	31%	0.306	S	S	.	.			trans	-97	-31.1	174.1	-61.5	-178.4	-10.4	0	0	112.6	V67	V67-Q83 PolarHBondContact N-O 3.15Å
84	H	98.4	Very high	95.9	Very high	53 Å²	53	61.5 Å²	61.5	25%	0.245	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.7	-173.8	-61.2	-50	0	0	0	111.5	R64 Y65 Y86	R64-H84 HydrophobicContact CG-CB 4.18Å; Y65-H84 VanDerWaalsContact O-CA 3.28Å; Y65-H84 WeakPolarHBondContact O-CA 3.48Å; H84-Y86 HydrophobicContact CB-CE2 3.73Å
85	I	98.4	Very high	95.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.3	174.9	-55.7	-177.7	0	0	0	107.9	I45 R64 Y65 V67 V82 I107 V116 T118	I45-I85 HydrophobicContact CD1-CD1 4.08Å; R64-I85 CarbonylContact C-O 3.47Å; R64-I85 WeakPolarHBondContact CA-O 3.43Å; Y65-I85 PolarHBondContact N-O 3.39Å; Y65-I85 PolarHBondContact O-N 3.28Å; V67-I85 HydrophobicContact CB-CD1 4.48Å; V67-I85 HydrophobicContact CG1-CD1 3.74Å; V67-I85 HydrophobicContact CG1-CG1 4.04Å; V67-I85 HydrophobicContact CG2-CD1 4.06Å; V67-I85 HydrophobicContact CG2-CG1 4.04Å; V82-I85 HydrophobicContact CG1-CD1 4.44Å; V82-I85 HydrophobicContact CG1-CG1 3.9Å; I85-I107 HydrophobicContact CD1-CB 4.27Å; I85-I107 HydrophobicContact CD1-CD1 3.44Å; I85-I107 VanDerWaalsContact CD1-CD1 3.44Å; I85-I107 HydrophobicContact CD1-CG1 4.43Å; I85-I107 HydrophobicContact CD1-CG2 3.8Å; I85-V116 HydrophobicContact CG1-CG1 4.27Å; I85-V116 HydrophobicContact CG2-CG1 4.24Å; I85-T118 HydrophobicContact CG2-CG2 3.53Å
86	Y	98.3	Very high	95.9	Very high	26 Å²	26	60.3 Å²	60.3	10%	0.102	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.1	-175	-59.2	-98.5	0	0	0	109.1	L55 T62 M63 R64 H84 K115 V116 Y117 T118	L55-Y86 HydrophobicContact CD1-CD1 4.34Å; L55-Y86 HydrophobicContact CD1-CE1 4Å; T62-Y86 HydrophobicContact CG2-CD1 4.01Å; M63-Y86 WeakPolarHBondContact O-CA 3.13Å; R64-Y86 HydrophobicContact CB-CD1 4.04Å; R64-Y86 HydrophobicContact CB-CE1 3.99Å; R64-Y86 HydrophobicContact CG-CD1 3.96Å; R64-Y86 HydrophobicContact CG-CE1 3.57Å; H84-Y86 HydrophobicContact CB-CE2 3.73Å; Y86-K115 HydrophobicContact CD2-CB 3.8Å; Y86-K115 HydrophobicContact CD2-CG 4.23Å; Y86-K115 HydrophobicContact CE1-CD 4.4Å; Y86-K115 HydrophobicContact CE2-CB 3.73Å; Y86-K115 HydrophobicContact CE2-CD 4.15Å; Y86-K115 HydrophobicContact CE2-CG 3.71Å; Y86-V116 WeakPolarHBondContact CD2-O 3.38Å; Y86-V116 PolarHBondContact N-O 3.35Å; Y86-Y117 HydrophobicContact CG-CE1 4.32Å; Y86-Y117 WeakPolarHBondContact O-CA 3.21Å; Y86-T118 PolarHBondContact O-N 2.75Å
87	T	98	Very high	95.9	Very high	3 Å²	3	61 Å²	61	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.8	177.1	-166.8	0	0	0	0	108	M63 Y65 G95 V96 T118	M63-T87 HydrophobicContact CB-CG2 3.99Å; M63-T87 PolarHBondContact N-O 3.01Å; M63-T87 PolarHBondContact O-N 3.38Å; Y65-T87 HydrophobicContact CD2-CG2 4.22Å; Y65-T87 HydrophobicContact CE2-CG2 3.78Å; T87-G95 WeakPolarHBondContact OG1-CA 3.28Å; T87-V96 PolarHBondContact OG1-N 3.16Å; T87-T118 WeakPolarHBondContact CA-O 3.49Å; T87-T118 WeakPolarHBondContact CB-O 3.36Å; T87-T118 PolarHBondContact OG1-O 3Å
88	D	96.4	Very high	96	Very high	70 Å²	70	54.7 Å²	54.7	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	147.7	175.2	-67.7	-80	0	0	0	111.4	S90 L93 G95	D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 3.42Å; D88-L93 HydrophobicContact CB-CB 3.87Å; D88-L93 WeakPolarHBondContact CB-O 3.46Å; D88-G95 WeakPolarHBondContact O-CA 3.39Å
89	A	95.3	Very high	96.1	Very high	33 Å²	33	52.4 Å²	52.4	27%	0.273	27%	0.271	S	S	.	.	S	Bend	trans	-69.9	-23.9	-178	0	0	0	0	0	113.7	L54 F60 G61	L54-A89 HydrophobicContact CD1-CB 3.47Å; L54-A89 VanDerWaalsContact CD1-CB 3.47Å; F60-A89 WeakPolarHBondContact O-CB 3.42Å; G61-A89 VanDerWaalsContact O-CB 3.26Å; G61-A89 WeakPolarHBondContact O-CB 3.47Å; G61-A89 PolarHBondContact O-N 2.64Å; G61-A89 VanDerWaalsContact O-N 3.11Å
90	S	93.3	Very high	96.2	Very high	48 Å²	48	53.8 Å²	53.8	34%	0.336	28%	0.278	S	S	.	.	S	Bend	trans	-112.5	139.7	-179	-175.3	0	0	0	0	111.9	D88 S92 L93 G95	D88-S90 VanDerWaalsContact C-N 3.26Å; D88-S90 PolarHBondContact O-N 3.42Å; S90-S92 PolarHBondContact O-N 3.24Å; S90-S92 PolarHBondContact OG-N 2.91Å; S90-S92 PolarHBondContact OG-OG 3.01Å; S90-L93 PolarHBondContact O-N 2.82Å; S90-L93 VanDerWaalsContact O-N 3.09Å; S90-G95 WeakPolarHBondContact O-CA 3.33Å; S90-G95 PolarHBondContact O-N 3.17Å
91	E	93	Very high	96.3	Very high	82 Å²	82	50.5 Å²	50.5	38%	0.383	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-62.7	-30.4	172.2	-77	168.8	174.3	0	0	112.4	C27 L93 C94 G95 K97 L120	C27-E91 WeakPolarHBondContact CB-O 3.37Å; E91-L93 PolarHBondContact O-N 3.22Å; E91-C94 PolarHBondContact O-N 3.38Å; E91-G95 WeakPolarHBondContact CA-O 3.31Å; E91-G95 WeakPolarHBondContact CG-O 2.99Å; E91-K97 HydrophobicContact CG-CD 4.4Å; E91-K97 HydrophobicContact CG-CG 4.26Å; E91-K97 WeakPolarHBondContact OE1-CD 3.28Å; E91-K97 WeakPolarHBondContact OE1-CE 3.32Å; E91-K97 VanDerWaalsContact OE1-CG 3.31Å; E91-K97 WeakPolarHBondContact OE1-CG 3.36Å; E91-K97 IonicContact OE1-NZ 3.93Å; E91-K97 PolarHBondContact OE1-NZ 3.25Å; E91-K97 IonicContact OE2-NZ 3Å; E91-K97 PolarHBondContact OE2-NZ 3.2Å; E91-L120 HydrophobicContact CB-CD1 4.13Å; E91-L120 HydrophobicContact CG-CD1 4.35Å; E91-L120 WeakPolarHBondContact O-CD1 3.42Å
92	S	92.2	Very high	96.3	Very high	60 Å²	60	52.2 Å²	52.2	42%	0.42	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.1	175.1	61.8	0	0	0	0	112.7	C27 S90	C27-S92 PolarHBondContact N-O 2.05Å; S90-S92 PolarHBondContact O-N 3.24Å; S90-S92 PolarHBondContact OG-N 2.91Å; S90-S92 PolarHBondContact OG-OG 3.01Å
93	L	92.9	Very high	96.2	Very high	64 Å²	64	55.9 Å²	55.9	34%	0.335	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-103.4	24	175.9	-61.5	174.9	0	0	0	112	F60 D88 S90 E91 G95	F60-L93 HydrophobicContact CB-CD1 3.5Å; F60-L93 VanDerWaalsContact CB-CD1 3.5Å; F60-L93 HydrophobicContact CD1-CD1 3.75Å; F60-L93 HydrophobicContact CD2-CD1 4.31Å; F60-L93 HydrophobicContact CG-CD1 3.58Å; D88-L93 HydrophobicContact CB-CB 3.87Å; D88-L93 WeakPolarHBondContact CB-O 3.46Å; S90-L93 PolarHBondContact O-N 2.82Å; S90-L93 VanDerWaalsContact O-N 3.09Å; E91-L93 PolarHBondContact O-N 3.22Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.17Å
94	C	95.1	Very high	96.2	Very high	35 Å²	35	53.3 Å²	53.3	24%	0.236	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	19.8	-177.7	-54.9	0	0	0	0	115	C27 E91 G119 L120	C27-C94 HydrophobicContact CB-CB 3.95Å; C27-C94 WeakPolarHBondContact CB-SG 3.47Å; C27-C94 WeakPolarHBondContact SG-CA 3.5Å; C27-C94 WeakPolarHBondContact SG-CB 3.4Å; C27-C94 CovalentContact SG-SG 2.03Å; C27-C94 PolarHBondContact SG-SG 3.36Å; E91-C94 PolarHBondContact O-N 3.38Å; C94-G119 CarbonylContact O-C 3.41Å; C94-G119 WeakPolarHBondContact O-CA 3.49Å; C94-L120 HydrophobicContact CB-CB 4.47Å; C94-L120 PolarHBondContact O-N 3.04Å
95	G	96.6	Very high	96.2	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.021	27%	0.265	C	S	.	.			trans	-67.2	135.4	172.3	0	0	0	0	0	113.2	T87 D88 S90 E91 L93 L120	T87-G95 WeakPolarHBondContact OG1-CA 3.28Å; D88-G95 WeakPolarHBondContact O-CA 3.39Å; S90-G95 WeakPolarHBondContact O-CA 3.33Å; S90-G95 PolarHBondContact O-N 3.17Å; E91-G95 WeakPolarHBondContact CA-O 3.31Å; E91-G95 WeakPolarHBondContact CG-O 2.99Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.17Å; G95-L120 WeakPolarHBondContact O-CD2 3.4Å; G95-L120 WeakPolarHBondContact O-CG 3.3Å
96	V	96.9	Very high	96.2	Very high	14 Å²	14	51.5 Å²	51.5	9%	0.085	27%	0.265	C	S	.	.			trans	-96.4	130.1	178.8	-174.5	0	0	0	0	111.1	Y65 T87 F98 T118 G119 L120	Y65-V96 WeakPolarHBondContact CE2-O 3.27Å; Y65-V96 PolarHBondContact OH-O 3.09Å; T87-V96 PolarHBondContact OG1-N 3.16Å; V96-F98 HydrophobicContact CB-CE2 4Å; V96-F98 HydrophobicContact CB-CZ 4.26Å; V96-F98 HydrophobicContact CG1-CD1 4.31Å; V96-F98 HydrophobicContact CG1-CD2 4.14Å; V96-F98 HydrophobicContact CG1-CE1 3.94Å; V96-F98 HydrophobicContact CG1-CE2 3.74Å; V96-F98 HydrophobicContact CG1-CG 4.41Å; V96-F98 HydrophobicContact CG1-CZ 3.63Å; V96-T118 HydrophobicContact CG2-CG2 4.45Å; V96-G119 WeakPolarHBondContact CG2-O 3.32Å; V96-L120 HydrophobicContact CG2-CD2 4.22Å; V96-L120 HydrophobicContact CG2-CG 4.46Å; V96-L120 VanDerWaalsContact CG2-N 3.32Å
97	K	96.4	Very high	96.3	Very high	131 Å²	131	50.2 Å²	50.2	57%	0.57	26%	0.261	S	S	*	.			trans	-92.6	110	169.3	-65.3	-173.6	-165.9	141.1	0	111.3	E91	E91-K97 HydrophobicContact CG-CD 4.4Å; E91-K97 HydrophobicContact CG-CG 4.26Å; E91-K97 WeakPolarHBondContact OE1-CD 3.28Å; E91-K97 WeakPolarHBondContact OE1-CE 3.32Å; E91-K97 VanDerWaalsContact OE1-CG 3.31Å; E91-K97 WeakPolarHBondContact OE1-CG 3.36Å; E91-K97 IonicContact OE1-NZ 3.93Å; E91-K97 PolarHBondContact OE1-NZ 3.25Å; E91-K97 IonicContact OE2-NZ 3Å; E91-K97 PolarHBondContact OE2-NZ 3.2Å
98	F	97.6	Very high	96.3	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.044	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-92.6	140.1	169.5	-65.5	-72.9	0	0	0	112.2	V49 Y65 V96 Y105 I107 T118 N124	V49-F98 HydrophobicContact CB-CB 4.29Å; V49-F98 HydrophobicContact CG1-CB 4.18Å; V49-F98 HydrophobicContact CG2-CB 3.72Å; V49-F98 HydrophobicContact CG2-CD1 4.3Å; V49-F98 HydrophobicContact CG2-CD2 4.46Å; V49-F98 HydrophobicContact CG2-CG 3.92Å; Y65-F98 HydrophobicContact CD1-CB 4.28Å; Y65-F98 HydrophobicContact CD1-CD2 4.42Å; Y65-F98 AromaticContact CD2-CD2 3.76Å; Y65-F98 HydrophobicContact CD2-CD2 3.76Å; Y65-F98 HydrophobicContact CD2-CE2 4.38Å; Y65-F98 HydrophobicContact CE1-CB 3.93Å; Y65-F98 HydrophobicContact CE1-CD2 4.39Å; Y65-F98 AromaticContact CE2-CD2 3.74Å; Y65-F98 HydrophobicContact CE2-CD2 3.74Å; Y65-F98 HydrophobicContact CE2-CE2 4.5Å; Y65-F98 HydrophobicContact CG-CD2 4.1Å; Y65-F98 PolarHBondContact OH-N 3.05Å; V96-F98 HydrophobicContact CB-CE2 4Å; V96-F98 HydrophobicContact CB-CZ 4.26Å; V96-F98 HydrophobicContact CG1-CD1 4.31Å; V96-F98 HydrophobicContact CG1-CD2 4.14Å; V96-F98 HydrophobicContact CG1-CE1 3.94Å; V96-F98 HydrophobicContact CG1-CE2 3.74Å; V96-F98 HydrophobicContact CG1-CG 4.41Å; V96-F98 HydrophobicContact CG1-CZ 3.63Å; F98-Y105 HydrophobicContact CB-CE2 4.4Å; F98-Y105 AromaticContact CD1-CD1 3.83Å; F98-Y105 HydrophobicContact CD1-CD1 3.83Å; F98-Y105 AromaticContact CD1-CD2 3.99Å; F98-Y105 HydrophobicContact CD1-CD2 3.99Å; F98-Y105 AromaticContact CD1-CE1 3.89Å; F98-Y105 HydrophobicContact CD1-CE1 3.89Å; F98-Y105 HydrophobicContact CD1-CE2 4.03Å; F98-Y105 AromaticContact CD1-CG 3.87Å; F98-Y105 HydrophobicContact CD1-CG 3.87Å; F98-Y105 AromaticContact CD1-CZ 3.96Å; F98-Y105 HydrophobicContact CE1-CD1 4.02Å; F98-Y105 HydrophobicContact CE1-CE1 4.43Å; F98-Y105 HydrophobicContact CE1-CG 4.11Å; F98-I107 HydrophobicContact CE1-CD1 4.09Å; F98-I107 HydrophobicContact CE1-CG1 4.1Å; F98-I107 HydrophobicContact CZ-CD1 4.05Å; F98-I107 HydrophobicContact CZ-CG1 4.14Å; F98-I107 HydrophobicContact CZ-CG2 4.32Å; F98-T118 HydrophobicContact CE2-CG2 4.03Å; F98-T118 HydrophobicContact CZ-CG2 4.2Å; F98-N124 HydrophobicContact CE1-CB 4.19Å; F98-N124 HydrophobicContact CZ-CB 4.26Å
99	D	97.3	Very high	96.3	Very high	70 Å²	70	46.9 Å²	46.9	37%	0.374	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-77.3	122.5	170.3	-66.7	-54.1	0	0	0	110.2	K102 Y103 Y105	D99-K102 HydrophobicContact CB-CB 3.73Å; D99-K102 HydrophobicContact CB-CD 3.89Å; D99-K102 HydrophobicContact CB-CG 4.43Å; D99-Y103 HydrophobicContact CB-CD2 4.15Å; D99-Y103 HydrophobicContact CB-CE2 4.44Å; D99-Y103 VanDerWaalsContact OD2-CE2 3.28Å; D99-Y103 WeakPolarHBondContact OD2-CE2 3.31Å; D99-Y105 WeakPolarHBondContact CB-OH 3.05Å; D99-Y105 PolarHBondContact N-OH 3.01Å; D99-Y105 PolarHBondContact OD2-OH 3.44Å
100	I	97.6	Very high	96.5	Very high	64 Å²	64	52.7 Å²	52.7	33%	0.328	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	134.6	179.1	-60.6	166.3	0	0	0	109.5	V49 K52 K102	V49-I100 HydrophobicContact CG1-CG1 4.15Å; K52-I100 HydrophobicContact CB-CD1 4.14Å; K52-I100 HydrophobicContact CD-CD1 3.73Å; K52-I100 HydrophobicContact CG-CD1 3.72Å; I100-K102 PolarHBondContact O-N 3.23Å
101	N	96.3	Very high	96.7	Very high	89 Å²	89	52 Å²	52	48%	0.476	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	4.1	174.8	-69	-39.6	0	0	0	116.9	K48 V49	K48-N101 VanDerWaalsContact CE-C 3.46Å; K48-N101 VanDerWaalsContact CE-CA 3.47Å; K48-N101 WeakPolarHBondContact CE-O 3.49Å; K48-N101 PolarHBondContact NZ-O 3.43Å; V49-N101 PolarHBondContact O-N 3.22Å
102	K	96	Very high	96.8	Very high	126 Å²	126	55.2 Å²	55.2	55%	0.548	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-55.9	-174.5	-164.6	176	-176.8	-168.6	0	113.2	D99 I100	D99-K102 HydrophobicContact CB-CB 3.73Å; D99-K102 HydrophobicContact CB-CD 3.89Å; D99-K102 HydrophobicContact CB-CG 4.43Å; I100-K102 PolarHBondContact O-N 3.23Å
103	Y	96.6	Very high	97	Very high	77 Å²	77	58.1 Å²	58.1	30%	0.302	28%	0.275	S	S	.	.			trans	-118.7	159.5	-175	-55	-66.3	0	0	0	112.2	D99 Y105 P126	D99-Y103 HydrophobicContact CB-CD2 4.15Å; D99-Y103 HydrophobicContact CB-CE2 4.44Å; D99-Y103 VanDerWaalsContact OD2-CE2 3.28Å; D99-Y103 WeakPolarHBondContact OD2-CE2 3.31Å; Y103-Y105 AromaticContact CD2-CZ 3.99Å; Y103-Y105 WeakPolarHBondContact CD2-OH 3.28Å; Y103-P126 HydrophobicContact CG-CB 4.36Å
104	Q	98.1	Very high	97.1	Very high	62 Å²	62	58 Å²	58	29%	0.29	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.1	159	-59.2	175.4	15.6	0	0	106.9	M70 P126 W127	M70-Q104 HydrophobicContact SD-CB 4.32Å; M70-Q104 HydrophobicContact SD-CG 3.72Å; M70-Q104 PolarHBondContact SD-OE1 3.29Å; M70-Q104 VanDerWaalsContact SD-OE1 3.39Å; Q104-P126 CarbonylContact O-C 3.58Å; Q104-P126 WeakPolarHBondContact O-CA 3.45Å; Q104-W127 HydrophobicContact CB-CB 4.22Å; Q104-W127 WeakPolarHBondContact O-CB 2.99Å; Q104-W127 PolarHBondContact O-N 3.32Å
105	Y	98.6	Very high	97.2	Very high	14 Å²	14	59.9 Å²	59.9	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.2	-177.9	-69	-88.8	0	0	0	110	R46 A47 V49 F98 D99 Y103 Q125 P126	R46-Y105 CarbonylContact C-O 3.57Å; R46-Y105 VanDerWaalsContact CA-O 3.27Å; R46-Y105 WeakPolarHBondContact CA-O 3.07Å; A47-Y105 PolarHBondContact N-O 3.14Å; A47-Y105 PolarHBondContact O-N 2.85Å; V49-Y105 HydrophobicContact CG2-CD2 4.17Å; V49-Y105 HydrophobicContact CG2-CE2 4.46Å; F98-Y105 HydrophobicContact CB-CE2 4.4Å; F98-Y105 AromaticContact CD1-CD1 3.83Å; F98-Y105 HydrophobicContact CD1-CD1 3.83Å; F98-Y105 AromaticContact CD1-CD2 3.99Å; F98-Y105 HydrophobicContact CD1-CD2 3.99Å; F98-Y105 AromaticContact CD1-CE1 3.89Å; F98-Y105 HydrophobicContact CD1-CE1 3.89Å; F98-Y105 HydrophobicContact CD1-CE2 4.03Å; F98-Y105 AromaticContact CD1-CG 3.87Å; F98-Y105 HydrophobicContact CD1-CG 3.87Å; F98-Y105 AromaticContact CD1-CZ 3.96Å; F98-Y105 HydrophobicContact CE1-CD1 4.02Å; F98-Y105 HydrophobicContact CE1-CE1 4.43Å; F98-Y105 HydrophobicContact CE1-CG 4.11Å; D99-Y105 WeakPolarHBondContact CB-OH 3.05Å; D99-Y105 PolarHBondContact N-OH 3.01Å; D99-Y105 PolarHBondContact OD2-OH 3.44Å; Y103-Y105 AromaticContact CD2-CZ 3.99Å; Y103-Y105 WeakPolarHBondContact CD2-OH 3.28Å; Y105-Q125 CarbonylContact C-O 3.6Å; Y105-Q125 WeakPolarHBondContact CA-O 3.44Å; Y105-P126 HydrophobicContact CD1-CG 4.3Å; Y105-P126 HydrophobicContact CE1-CG 3.91Å
106	L	98.6	Very high	97.2	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.3	148.9	179.4	75.3	0	0	0	107.2	V44 I45 Y73 F123 N124 Q125 W127 L130 I138	V44-L106 HydrophobicContact CG1-CD1 3.7Å; I45-L106 WeakPolarHBondContact O-CA 3.41Å; Y73-L106 HydrophobicContact CD2-CD1 4.36Å; Y73-L106 HydrophobicContact CE2-CD1 4.27Å; L106-F123 HydrophobicContact CD2-CD1 3.51Å; L106-F123 HydrophobicContact CD2-CE1 3.53Å; L106-N124 WeakPolarHBondContact O-CA 3.25Å; L106-Q125 PolarHBondContact N-O 3.06Å; L106-Q125 PolarHBondContact O-N 3.4Å; L106-Q125 VanDerWaalsContact O-N 3.08Å; L106-W127 HydrophobicContact CB-CE3 4.3Å; L106-W127 HydrophobicContact CD1-CZ3 4.26Å; L106-L130 HydrophobicContact CB-CD1 3.91Å; L106-L130 HydrophobicContact CD2-CD1 3.94Å; L106-L130 HydrophobicContact CD2-CD2 4.44Å; L106-L130 HydrophobicContact CG-CD1 4.47Å; L106-I138 HydrophobicContact CD1-CD1 3.95Å; L106-I138 HydrophobicContact CD1-CG1 4.46Å; L106-I138 HydrophobicContact CD1-CG2 3.95Å; L106-I138 HydrophobicContact CD2-CD1 3.39Å; L106-I138 HydrophobicContact CD2-CG1 4.17Å; L106-I138 HydrophobicContact CG-CD1 4.27Å
107	I	98.6	Very high	97.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.1	178.5	-53.6	176.2	0	0	0	108.3	V44 I45 A47 I85 F98 T118 N124	V44-I107 WeakPolarHBondContact CA-O 3.35Å; I45-I107 HydrophobicContact CG1-CB 4.14Å; I45-I107 PolarHBondContact N-O 3.4Å; I45-I107 PolarHBondContact O-N 3.33Å; A47-I107 HydrophobicContact CB-CD1 4.49Å; I85-I107 HydrophobicContact CD1-CB 4.27Å; I85-I107 HydrophobicContact CD1-CD1 3.44Å; I85-I107 VanDerWaalsContact CD1-CD1 3.44Å; I85-I107 HydrophobicContact CD1-CG1 4.43Å; I85-I107 HydrophobicContact CD1-CG2 3.8Å; F98-I107 HydrophobicContact CE1-CD1 4.09Å; F98-I107 HydrophobicContact CE1-CG1 4.1Å; F98-I107 HydrophobicContact CZ-CD1 4.05Å; F98-I107 HydrophobicContact CZ-CG1 4.14Å; F98-I107 HydrophobicContact CZ-CG2 4.32Å; I107-T118 HydrophobicContact CG2-CG2 4.35Å; I107-N124 WeakPolarHBondContact CA-OD1 3.32Å; I107-N124 WeakPolarHBondContact CG2-OD1 3.46Å
108	T	98.5	Very high	97.4	Very high	2 Å²	2	57 Å²	57	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146	175.6	61.5	0	0	0	0	108.8	S41 V44 T118 F123 N124	S41-T108 WeakPolarHBondContact OG-CB 3.48Å; V44-T108 HydrophobicContact CG1-CG2 4.07Å; V44-T108 HydrophobicContact CG2-CG2 4.02Å; T108-T118 WeakPolarHBondContact O-CB 3.13Å; T108-T118 PolarHBondContact O-OG1 2.75Å; T108-F123 HydrophobicContact CG2-CB 4.26Å; T108-F123 WeakPolarHBondContact CG2-O 3Å; T108-F123 PolarHBondContact OG1-N 3.02Å; T108-F123 PolarHBondContact OG1-O 3.48Å; T108-N124 PolarHBondContact N-OD1 2.93Å; T108-N124 VanDerWaalsContact N-OD1 3.14Å
109	G	97.8	Very high	97.4	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	173.3	-175	0	0	0	0	0	113.7	S41 D42 I43 Y117	S41-G109 CarbonylContact C-O 3.52Å; S41-G109 WeakPolarHBondContact CB-O 3.19Å; D42-G109 PolarHBondContact N-O 3.34Å; I43-G109 PolarHBondContact N-O 3.2Å; I43-G109 VanDerWaalsContact N-O 3.09Å; I43-G109 PolarHBondContact O-N 3.2Å; G109-Y117 CarbonylContact C-O 3.53Å; G109-Y117 WeakPolarHBondContact CA-O 3.33Å
110	R	98.1	Very high	97.3	Very high	155 Å²	155	57.3 Å²	57.3	59%	0.585	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	153.1	175.7	-68.8	-173.8	178.5	173.3	0.9	110.6	D42 V116 Y117	D42-R110 VanDerWaalsContact OD2-CA 3.26Å; D42-R110 WeakPolarHBondContact OD2-CA 3.43Å; D42-R110 WeakPolarHBondContact OD2-CB 3.39Å; R110-V116 WeakPolarHBondContact O-CA 3.48Å; R110-Y117 PolarHBondContact N-O 3.3Å; R110-Y117 PolarHBondContact O-N 2.77Å
111	V	98	Very high	97.2	Very high	33 Å²	33	57 Å²	57	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119	175.4	179.8	0	0	0	0	108.4	D42 I43 K78 M79 K115 V116	D42-V111 HydrophobicContact CB-CB 4.27Å; D42-V111 HydrophobicContact CB-CG2 3.98Å; D42-V111 PolarHBondContact OD2-N 3.11Å; I43-V111 HydrophobicContact CG1-CG2 4.5Å; I43-V111 HydrophobicContact CG2-CG2 3.49Å; I43-V111 VanDerWaalsContact CG2-CG2 3.49Å; K78-V111 HydrophobicContact CB-CG2 4.24Å; M79-V111 HydrophobicContact CE-CG1 4.35Å; V111-K115 CarbonylContact C-O 3.59Å; V111-K115 VanDerWaalsContact CA-O 3.32Å; V111-K115 WeakPolarHBondContact CA-O 3.37Å; V111-V116 HydrophobicContact CG2-CG2 4.29Å
112	F	96	Very high	97.2	Very high	150 Å²	150	55 Å²	55	66%	0.658	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.8	175.2	-177.5	-100.6	0	0	0	108.7	G114 K115 Y117	F112-G114 VanDerWaalsContact C-N 3.29Å; F112-G114 PolarHBondContact O-N 2.98Å; F112-K115 PolarHBondContact N-O 3.15Å; F112-K115 WeakPolarHBondContact O-CB 3.49Å; F112-K115 PolarHBondContact O-N 2.81Å; F112-Y117 HydrophobicContact CB-CD2 4.01Å; F112-Y117 HydrophobicContact CB-CE2 4.06Å; F112-Y117 HydrophobicContact CD1-CE2 4.34Å
113	D	94.8	Very high	97.3	Very high	122 Å²	122	50.3 Å²	50.3	65%	0.652	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	47.5	-180	-170.9	38.2	0	0	0	113.5	K115	D113-K115 PolarHBondContact O-N 2.92Å
114	G	95	Very high	97.3	Very high	60 Å²	60	47.4 Å²	47.4	62%	0.619	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	8.7	-179	0	0	0	0	0	115.3	M79 F112	M79-G114 WeakPolarHBondContact CE-O 3.47Å; F112-G114 VanDerWaalsContact C-N 3.29Å; F112-G114 PolarHBondContact O-N 2.98Å
115	K	96.9	Very high	97.2	Very high	75 Å²	75	47.9 Å²	47.9	33%	0.326	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.8	179.4	-65.8	167.9	-169.6	156.4	0	110.6	Y86 V111 F112 D113 Y117	Y86-K115 HydrophobicContact CD2-CB 3.8Å; Y86-K115 HydrophobicContact CD2-CG 4.23Å; Y86-K115 HydrophobicContact CE1-CD 4.4Å; Y86-K115 HydrophobicContact CE2-CB 3.73Å; Y86-K115 HydrophobicContact CE2-CD 4.15Å; Y86-K115 HydrophobicContact CE2-CG 3.71Å; V111-K115 CarbonylContact C-O 3.59Å; V111-K115 VanDerWaalsContact CA-O 3.32Å; V111-K115 WeakPolarHBondContact CA-O 3.37Å; F112-K115 PolarHBondContact N-O 3.15Å; F112-K115 WeakPolarHBondContact O-CB 3.49Å; F112-K115 PolarHBondContact O-N 2.81Å; D113-K115 PolarHBondContact O-N 2.92Å; K115-Y117 HydrophobicContact CB-CD2 4.26Å; K115-Y117 HydrophobicContact CB-CE2 3.59Å; K115-Y117 HydrophobicContact CD-CE2 4.41Å
116	V	98.3	Very high	97.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.5	177.2	173.1	0	0	0	0	109.4	I43 M79 V82 I85 Y86 R110 V111	I43-V116 HydrophobicContact CD1-CB 4.2Å; I43-V116 HydrophobicContact CD1-CG1 3.26Å; I43-V116 HydrophobicContact CD1-CG2 3.83Å; I43-V116 HydrophobicContact CG1-CG1 3.87Å; I43-V116 HydrophobicContact CG1-CG2 4.25Å; M79-V116 HydrophobicContact CE-CG2 3.97Å; M79-V116 HydrophobicContact SD-CG2 3.85Å; V82-V116 HydrophobicContact CG1-CB 4.33Å; V82-V116 HydrophobicContact CG1-CG2 3.87Å; V82-V116 HydrophobicContact CG2-CG2 4.02Å; I85-V116 HydrophobicContact CG1-CG1 4.27Å; I85-V116 HydrophobicContact CG2-CG1 4.24Å; Y86-V116 WeakPolarHBondContact CD2-O 3.38Å; Y86-V116 PolarHBondContact N-O 3.35Å; R110-V116 WeakPolarHBondContact O-CA 3.48Å; V111-V116 HydrophobicContact CG2-CG2 4.29Å
117	Y	98.1	Very high	97.2	Very high	78 Å²	78	48.6 Å²	48.6	31%	0.306	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.3	175.2	-68.4	-91.4	0	0	0	111.2	Y86 G109 R110 F112 K115	Y86-Y117 HydrophobicContact CG-CE1 4.32Å; Y86-Y117 WeakPolarHBondContact O-CA 3.21Å; G109-Y117 CarbonylContact C-O 3.53Å; G109-Y117 WeakPolarHBondContact CA-O 3.33Å; R110-Y117 PolarHBondContact N-O 3.3Å; R110-Y117 PolarHBondContact O-N 2.77Å; F112-Y117 HydrophobicContact CB-CD2 4.01Å; F112-Y117 HydrophobicContact CB-CE2 4.06Å; F112-Y117 HydrophobicContact CD1-CE2 4.34Å; K115-Y117 HydrophobicContact CB-CD2 4.26Å; K115-Y117 HydrophobicContact CB-CE2 3.59Å; K115-Y117 HydrophobicContact CD-CE2 4.41Å
118	T	98.3	Very high	97.1	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.049	28%	0.28	C	S	.	.			trans	-137	158.7	174.5	-162.1	0	0	0	0	110.3	I85 Y86 T87 V96 F98 I107 T108 N124	I85-T118 HydrophobicContact CG2-CG2 3.53Å; Y86-T118 PolarHBondContact O-N 2.75Å; T87-T118 WeakPolarHBondContact CA-O 3.49Å; T87-T118 WeakPolarHBondContact CB-O 3.36Å; T87-T118 PolarHBondContact OG1-O 3Å; V96-T118 HydrophobicContact CG2-CG2 4.45Å; F98-T118 HydrophobicContact CE2-CG2 4.03Å; F98-T118 HydrophobicContact CZ-CG2 4.2Å; I107-T118 HydrophobicContact CG2-CG2 4.35Å; T108-T118 WeakPolarHBondContact O-CB 3.13Å; T108-T118 PolarHBondContact O-OG1 2.75Å; T118-N124 PolarHBondContact OG1-ND2 3.3Å; T118-N124 PolarHBondContact OG1-OD1 3.05Å
119	G	97	Very high	97	Very high	9 Å²	9	62.8 Å²	62.8	9%	0.093	31%	0.309	C	S	.	.			trans	-146.9	175.7	-178.3	0	0	0	0	0	112.4	C94 V96 C121 N122 N124	C94-G119 CarbonylContact O-C 3.41Å; C94-G119 WeakPolarHBondContact O-CA 3.49Å; V96-G119 WeakPolarHBondContact CG2-O 3.32Å; G119-C121 PolarHBondContact O-N 3.04Å; G119-N122 PolarHBondContact N-OD1 2.75Å; G119-N122 WeakPolarHBondContact O-CB 3.3Å; G119-N122 PolarHBondContact O-N 2.96Å; G119-N124 PolarHBondContact O-ND2 3.26Å; G119-N124 VanDerWaalsContact O-ND2 3.15Å
120	L	96	Very high	96.9	Very high	77 Å²	77	63.2 Å²	63.2	40%	0.403	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.5	178.9	-73.5	178.5	0	0	0	112.5	C27 E91 C94 G95 V96 N122	C27-L120 HydrophobicContact CB-CD1 4.41Å; E91-L120 HydrophobicContact CB-CD1 4.13Å; E91-L120 HydrophobicContact CG-CD1 4.35Å; E91-L120 WeakPolarHBondContact O-CD1 3.42Å; C94-L120 HydrophobicContact CB-CB 4.47Å; C94-L120 PolarHBondContact O-N 3.04Å; G95-L120 WeakPolarHBondContact O-CD2 3.4Å; G95-L120 WeakPolarHBondContact O-CG 3.3Å; V96-L120 HydrophobicContact CG2-CD2 4.22Å; V96-L120 HydrophobicContact CG2-CG 4.46Å; V96-L120 VanDerWaalsContact CG2-N 3.32Å; L120-N122 VanDerWaalsContact C-N 3.29Å; L120-N122 PolarHBondContact O-N 3.18Å
121	C	95	Very high	96.7	Very high	58 Å²	58	56.6 Å²	56.6	39%	0.392	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.1	179.2	-48.7	0	0	0	0	113.6	C29 G119	C29-C121 VanDerWaalsContact CA-SG 3.52Å; C29-C121 HydrophobicContact CB-CB 3.63Å; C29-C121 WeakPolarHBondContact CB-SG 3.15Å; C29-C121 WeakPolarHBondContact SG-CA 3.05Å; C29-C121 WeakPolarHBondContact SG-CB 3.31Å; C29-C121 PolarHBondContact SG-N 2.92Å; C29-C121 CovalentContact SG-SG 2.03Å; C29-C121 PolarHBondContact SG-SG 2.74Å; G119-C121 PolarHBondContact O-N 3.04Å
122	N	97.1	Very high	96.6	Very high	47 Å²	47	61.4 Å²	61.4	25%	0.251	31%	0.313	S	S	.	.	S	Bend	trans	-79.7	158	172.9	-68.7	104.8	0	0	0	110.8	G119 L120 N124	G119-N122 PolarHBondContact N-OD1 2.75Å; G119-N122 WeakPolarHBondContact O-CB 3.3Å; G119-N122 PolarHBondContact O-N 2.96Å; L120-N122 VanDerWaalsContact C-N 3.29Å; L120-N122 PolarHBondContact O-N 3.18Å; N122-N124 VanDerWaalsContact C-N 3.3Å; N122-N124 PolarHBondContact O-N 2.92Å
123	F	96.9	Very high	96.5	Very high	27 Å²	27	55.1 Å²	55.1	12%	0.118	29%	0.288	C	S	.	.			trans	-81.2	80.4	177.4	-170.5	-119	0	0	0	110.8	P34 A37 L106 T108 Q125 L130	P34-F123 HydrophobicContact CB-CD1 4.13Å; P34-F123 HydrophobicContact CB-CE1 3.78Å; P34-F123 HydrophobicContact CB-CE2 4.19Å; P34-F123 HydrophobicContact CB-CG 4.49Å; P34-F123 HydrophobicContact CB-CZ 3.82Å; P34-F123 HydrophobicContact CG-CD2 4.45Å; P34-F123 HydrophobicContact CG-CE1 4.3Å; P34-F123 HydrophobicContact CG-CE2 3.89Å; P34-F123 HydrophobicContact CG-CZ 3.81Å; A37-F123 HydrophobicContact CB-CB 3.39Å; A37-F123 HydrophobicContact CB-CG 4.31Å; L106-F123 HydrophobicContact CD2-CD1 3.51Å; L106-F123 HydrophobicContact CD2-CE1 3.53Å; T108-F123 HydrophobicContact CG2-CB 4.26Å; T108-F123 WeakPolarHBondContact CG2-O 3Å; T108-F123 PolarHBondContact OG1-N 3.02Å; T108-F123 PolarHBondContact OG1-O 3.48Å; F123-Q125 HydrophobicContact CD2-CG 4.2Å; F123-Q125 HydrophobicContact CE2-CG 3.78Å; F123-Q125 HydrophobicContact CZ-CG 4.05Å; F123-L130 HydrophobicContact CE1-CD2 3.83Å; F123-L130 HydrophobicContact CZ-CD2 3.68Å
124	N	97.3	Very high	96.6	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.091	26%	0.259	C	S	.	.			trans	-106	114.3	178.2	-63.9	-36.6	0	0	0	109.6	F98 L106 I107 T108 T118 G119 N122	F98-N124 HydrophobicContact CE1-CB 4.19Å; F98-N124 HydrophobicContact CZ-CB 4.26Å; L106-N124 WeakPolarHBondContact O-CA 3.25Å; I107-N124 WeakPolarHBondContact CA-OD1 3.32Å; I107-N124 WeakPolarHBondContact CG2-OD1 3.46Å; T108-N124 PolarHBondContact N-OD1 2.93Å; T108-N124 VanDerWaalsContact N-OD1 3.14Å; T118-N124 PolarHBondContact OG1-ND2 3.3Å; T118-N124 PolarHBondContact OG1-OD1 3.05Å; G119-N124 PolarHBondContact O-ND2 3.26Å; G119-N124 VanDerWaalsContact O-ND2 3.15Å; N122-N124 VanDerWaalsContact C-N 3.3Å; N122-N124 PolarHBondContact O-N 2.92Å
125	Q	97	Very high	96.7	Very high	72 Å²	72	48.6 Å²	48.6	34%	0.336	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.4	-174.2	-71.4	-61.1	-41	0	0	111.8	Y105 L106 F123 W127 L130	Y105-Q125 CarbonylContact C-O 3.6Å; Y105-Q125 WeakPolarHBondContact CA-O 3.44Å; L106-Q125 PolarHBondContact N-O 3.06Å; L106-Q125 PolarHBondContact O-N 3.4Å; L106-Q125 VanDerWaalsContact O-N 3.08Å; F123-Q125 HydrophobicContact CD2-CG 4.2Å; F123-Q125 HydrophobicContact CE2-CG 3.78Å; F123-Q125 HydrophobicContact CZ-CG 4.05Å; Q125-W127 PolarHBondContact O-N 3.35Å; Q125-L130 HydrophobicContact CB-CD2 3.88Å; Q125-L130 HydrophobicContact CG-CD2 4.41Å
126	P	97.9	Very high	96.6	Very high	12 Å²	12	49.9 Å²	49.9	8%	0.078	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	128.5	166.3	-23.5	33.9	0	0	0	110	Y103 Q104 Y105 E128 R129	Y103-P126 HydrophobicContact CG-CB 4.36Å; Q104-P126 CarbonylContact O-C 3.58Å; Q104-P126 WeakPolarHBondContact O-CA 3.45Å; Y105-P126 HydrophobicContact CD1-CG 4.3Å; Y105-P126 HydrophobicContact CE1-CG 3.91Å; P126-E128 PolarHBondContact O-N 3.48Å; P126-E128 VanDerWaalsContact O-N 3.15Å; P126-R129 HydrophobicContact CB-CB 4.46Å; P126-R129 HydrophobicContact CB-CG 4.1Å; P126-R129 HydrophobicContact CG-CG 4.42Å; P126-R129 WeakPolarHBondContact O-CB 3.03Å; P126-R129 PolarHBondContact O-N 3.13Å
127	W	97.9	Very high	96.5	Very high	17 Å²	17	49.9 Å²	49.9	6%	0.064	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-56	-36.8	-174.1	-180	-97.2	0	0	0	112.5	R46 Y73 Q104 L106 Q125 R129 L130 K135 I138	R46-W127 HydrophobicContact CB-CE3 4.41Å; R46-W127 HydrophobicContact CG-CD2 4.29Å; R46-W127 HydrophobicContact CG-CE3 4.17Å; R46-W127 VanDerWaalsContact NH1-NE1 3.19Å; Y73-W127 HydrophobicContact CE2-CH2 4.37Å; Y73-W127 HydrophobicContact CE2-CZ3 4.05Å; Y73-W127 AromaticContact CZ-CH2 3.77Å; Y73-W127 AromaticContact CZ-CZ3 3.92Å; Y73-W127 WeakPolarHBondContact OH-CH2 3.5Å; Y73-W127 WeakPolarHBondContact OH-CZ3 3.49Å; Q104-W127 HydrophobicContact CB-CB 4.22Å; Q104-W127 WeakPolarHBondContact O-CB 2.99Å; Q104-W127 PolarHBondContact O-N 3.32Å; L106-W127 HydrophobicContact CB-CE3 4.3Å; L106-W127 HydrophobicContact CD1-CZ3 4.26Å; Q125-W127 PolarHBondContact O-N 3.35Å; W127-R129 VanDerWaalsContact C-N 3.27Å; W127-R129 PolarHBondContact O-N 3.28Å; W127-L130 HydrophobicContact CD2-CD1 4.26Å; W127-L130 HydrophobicContact CE3-CD1 3.61Å; W127-L130 HydrophobicContact CZ3-CD1 3.86Å; W127-L130 WeakPolarHBondContact O-CB 3.42Å; W127-L130 PolarHBondContact O-N 2.92Å; W127-K135 HydrophobicContact CH2-CB 4.29Å; W127-K135 HydrophobicContact CH2-CG 3.99Å; W127-K135 HydrophobicContact CZ2-CB 4.21Å; W127-K135 HydrophobicContact CZ2-CD 4.03Å; W127-K135 HydrophobicContact CZ2-CG 3.74Å; W127-K135 WeakPolarHBondContact O-CE 3.01Å; W127-K135 PolarHBondContact O-NZ 2.03Å; W127-I138 HydrophobicContact CZ3-CD1 4.38Å
128	E	96.7	Very high	96.5	Very high	138 Å²	138	46.2 Å²	46.2	65%	0.645	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-71.6	-19.2	178.9	-60.9	-49.2	144.3	0	0	114	P126 L130 K135	P126-E128 PolarHBondContact O-N 3.48Å; P126-E128 VanDerWaalsContact O-N 3.15Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-K135 IonicContact OE2-NZ 3.48Å; E128-K135 PolarHBondContact OE2-NZ 2.03Å
129	R	96	Very high	96.3	Very high	162 Å²	162	49.2 Å²	49.2	61%	0.611	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-81.2	-14.1	174.9	-67.4	-175.9	179.1	172.8	-2.4	113.1	P126 W127	P126-R129 HydrophobicContact CB-CB 4.46Å; P126-R129 HydrophobicContact CB-CG 4.1Å; P126-R129 HydrophobicContact CG-CG 4.42Å; P126-R129 WeakPolarHBondContact O-CB 3.03Å; P126-R129 PolarHBondContact O-N 3.13Å; W127-R129 VanDerWaalsContact C-N 3.27Å; W127-R129 PolarHBondContact O-N 3.28Å
130	L	96.2	Very high	96	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	26%	0.26	C	S	.	.	S	Bend	trans	-72.2	135.6	177.7	-61	175.2	0	0	0	110.8	L106 F123 Q125 W127 E128 Q134 K135 I138	L106-L130 HydrophobicContact CB-CD1 3.91Å; L106-L130 HydrophobicContact CD2-CD1 3.94Å; L106-L130 HydrophobicContact CD2-CD2 4.44Å; L106-L130 HydrophobicContact CG-CD1 4.47Å; F123-L130 HydrophobicContact CE1-CD2 3.83Å; F123-L130 HydrophobicContact CZ-CD2 3.68Å; Q125-L130 HydrophobicContact CB-CD2 3.88Å; Q125-L130 HydrophobicContact CG-CD2 4.41Å; W127-L130 HydrophobicContact CD2-CD1 4.26Å; W127-L130 HydrophobicContact CE3-CD1 3.61Å; W127-L130 HydrophobicContact CZ3-CD1 3.86Å; W127-L130 WeakPolarHBondContact O-CB 3.42Å; W127-L130 PolarHBondContact O-N 2.92Å; E128-L130 VanDerWaalsContact C-N 3.33Å; L130-Q134 HydrophobicContact CB-CB 4.33Å; L130-K135 HydrophobicContact CB-CG 3.89Å; L130-K135 VanDerWaalsContact O-CE 3.31Å; L130-K135 WeakPolarHBondContact O-CE 2.96Å; L130-I138 HydrophobicContact CD1-CD1 3.81Å
131	S	95.2	Very high	95.8	Very high	16 Å²	16	50.5 Å²	50.5	11%	0.112	25%	0.245	C	C	.	.			trans	-64.9	160.3	173.2	81.5	0	0	0	0	111.3	A133 Q134 K135 R183	S131-A133 PolarHBondContact O-N 3.41Å; S131-A133 PolarHBondContact OG-N 3.44Å; S131-Q134 PolarHBondContact O-N 2.03Å; S131-Q134 WeakPolarHBondContact OG-CG 3.4Å; S131-Q134 PolarHBondContact OG-N 3.34Å; S131-K135 WeakPolarHBondContact O-CG 3.03Å; S131-K135 PolarHBondContact O-N 2.79Å; S131-R183 VanDerWaalsContact CB-O 3.3Å; S131-R183 WeakPolarHBondContact CB-O 3.31Å; S131-R183 PolarHBondContact OG-O 3.06Å
132	L	94.4	Very high	96	Very high	135 Å²	135	47.9 Å²	47.9	71%	0.707	23%	0.227	S	C	*	.	H	α-helix	trans	-58.2	-36.1	173.2	-66.9	176.9	0	0	0	112.3	K136	L132-K136 WeakPolarHBondContact O-CB 3.11Å; L132-K136 WeakPolarHBondContact O-CG 3.15Å; L132-K136 PolarHBondContact O-N 2.95Å
133	A	94.8	Very high	95.9	Very high	18 Å²	18	50.3 Å²	50.3	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-39.4	177.9	0	0	0	0	0	111.8	S131 K136 G137 H184	S131-A133 PolarHBondContact O-N 3.41Å; S131-A133 PolarHBondContact OG-N 3.44Å; A133-K136 CarbonylContact O-C 3.59Å; A133-K136 PolarHBondContact O-N 2.77Å; A133-G137 PolarHBondContact O-N 3.03Å; A133-H184 WeakPolarHBondContact CB-O 3.03Å
134	Q	96.9	Very high	95.7	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-45.4	174	-72.5	171.2	-29.5	0	0	111.3	L130 S131 K136 G137 I138 S182	L130-Q134 HydrophobicContact CB-CB 4.33Å; S131-Q134 PolarHBondContact O-N 2.03Å; S131-Q134 WeakPolarHBondContact OG-CG 3.4Å; S131-Q134 PolarHBondContact OG-N 3.34Å; Q134-K136 VanDerWaalsContact C-N 3.3Å; Q134-K136 PolarHBondContact O-N 3.44Å; Q134-G137 WeakPolarHBondContact O-CA 3.39Å; Q134-G137 PolarHBondContact O-N 3.07Å; Q134-I138 WeakPolarHBondContact O-CD1 3.02Å; Q134-I138 VanDerWaalsContact O-CG1 3.28Å; Q134-I138 WeakPolarHBondContact O-CG1 2.94Å; Q134-I138 PolarHBondContact O-N 3.46Å; Q134-S182 PolarHBondContact NE2-O 3.07Å
135	K	96.9	Very high	95.7	Very high	38 Å²	38	53.8 Å²	53.8	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-57.6	-42.3	174.8	-69.3	174.2	178.2	173.5	0	111.2	W127 E128 L130 S131 N139	W127-K135 HydrophobicContact CH2-CB 4.29Å; W127-K135 HydrophobicContact CH2-CG 3.99Å; W127-K135 HydrophobicContact CZ2-CB 4.21Å; W127-K135 HydrophobicContact CZ2-CD 4.03Å; W127-K135 HydrophobicContact CZ2-CG 3.74Å; W127-K135 WeakPolarHBondContact O-CE 3.01Å; W127-K135 PolarHBondContact O-NZ 2.03Å; E128-K135 IonicContact OE2-NZ 3.48Å; E128-K135 PolarHBondContact OE2-NZ 2.03Å; L130-K135 HydrophobicContact CB-CG 3.89Å; L130-K135 VanDerWaalsContact O-CE 3.31Å; L130-K135 WeakPolarHBondContact O-CE 2.96Å; S131-K135 WeakPolarHBondContact O-CG 3.03Å; S131-K135 PolarHBondContact O-N 2.79Å; K135-N139 PolarHBondContact O-N 2.02Å; K135-N139 PolarHBondContact O-ND2 2.97Å
136	K	95	Very high	95.7	Very high	102 Å²	102	52.2 Å²	52.2	44%	0.443	25%	0.252	S	S	.	.	H	α-helix	trans	-67.7	-38.4	172.4	-72.9	176.3	-179.6	-178.3	0	112.1	L132 A133 Q134 N139 H140	L132-K136 WeakPolarHBondContact O-CB 3.11Å; L132-K136 WeakPolarHBondContact O-CG 3.15Å; L132-K136 PolarHBondContact O-N 2.95Å; A133-K136 CarbonylContact O-C 3.59Å; A133-K136 PolarHBondContact O-N 2.77Å; Q134-K136 VanDerWaalsContact C-N 3.3Å; Q134-K136 PolarHBondContact O-N 3.44Å; K136-N139 PolarHBondContact O-N 3.42Å; K136-H140 PolarHBondContact O-CE1 3.47Å; K136-H140 PolarHBondContact O-N 3.08Å; K136-H140 PolarHBondContact O-ND1 2.78Å
137	G	96.3	Very high	95.5	Very high	1 Å²	1	58 Å²	58	1%	0.01	28%	0.282	C	S	.	.	I	π-helix	trans	-56.4	-52.8	176	0	0	0	0	0	112	A133 Q134 N139 H140 R141 Y142	A133-G137 PolarHBondContact O-N 3.03Å; Q134-G137 WeakPolarHBondContact O-CA 3.39Å; Q134-G137 PolarHBondContact O-N 3.07Å; G137-N139 VanDerWaalsContact C-N 3.31Å; G137-N139 PolarHBondContact O-N 2.75Å; G137-H140 PolarHBondContact O-N 2.99Å; G137-R141 PolarHBondContact O-N 3.34Å; G137-Y142 WeakPolarHBondContact O-CB 3.2Å; G137-Y142 PolarHBondContact O-N 3.38Å
138	I	97.4	Very high	95.5	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	28%	0.282	C	S	.	.	I	π-helix	trans	-62	-36.1	-179.6	-65	154	0	0	0	112.3	Y38 V44 Y73 L106 W127 L130 Q134 Y142	Y38-I138 HydrophobicContact CE2-CG2 4.46Å; Y38-I138 WeakPolarHBondContact CE2-O 3.15Å; V44-I138 HydrophobicContact CG1-CG2 4.1Å; Y73-I138 HydrophobicContact CD1-CG2 3.82Å; Y73-I138 HydrophobicContact CD2-CG2 3.55Å; Y73-I138 HydrophobicContact CE1-CG2 4.17Å; Y73-I138 HydrophobicContact CE2-CG2 3.91Å; Y73-I138 HydrophobicContact CG-CG2 3.5Å; Y73-I138 VanDerWaalsContact CG-CG2 3.5Å; L106-I138 HydrophobicContact CD1-CD1 3.95Å; L106-I138 HydrophobicContact CD1-CG1 4.46Å; L106-I138 HydrophobicContact CD1-CG2 3.95Å; L106-I138 HydrophobicContact CD2-CD1 3.39Å; L106-I138 HydrophobicContact CD2-CG1 4.17Å; L106-I138 HydrophobicContact CG-CD1 4.27Å; W127-I138 HydrophobicContact CZ3-CD1 4.38Å; L130-I138 HydrophobicContact CD1-CD1 3.81Å; Q134-I138 WeakPolarHBondContact O-CD1 3.02Å; Q134-I138 VanDerWaalsContact O-CG1 3.28Å; Q134-I138 WeakPolarHBondContact O-CG1 2.94Å; Q134-I138 PolarHBondContact O-N 3.46Å; I138-Y142 HydrophobicContact CG1-CD2 4.04Å; I138-Y142 HydrophobicContact CG1-CE2 3.87Å
139	N	95.1	Very high	95.5	Very high	71 Å²	71	58 Å²	58	38%	0.38	28%	0.278	S	S	.	.	I	π-helix	trans	-70.4	-35.9	-179.2	-85.5	-69.4	0	0	0	113.1	K71 Y73 K135 K136 G137	K71-N139 PolarHBondContact NZ-OD1 3.11Å; Y73-N139 VanDerWaalsContact CE1-OD1 3.23Å; Y73-N139 WeakPolarHBondContact CE1-OD1 3.35Å; K135-N139 PolarHBondContact O-N 2.02Å; K135-N139 PolarHBondContact O-ND2 2.97Å; K136-N139 PolarHBondContact O-N 3.42Å; G137-N139 VanDerWaalsContact C-N 3.31Å; G137-N139 PolarHBondContact O-N 2.75Å
140	H	89.1	Confident	95.6	Very high	90 Å²	90	50.8 Å²	50.8	42%	0.417	25%	0.251	S	S	.	.	I	π-helix	trans	-153.7	-39.9	-171.5	55.8	-77.8	0	0	0	115.4	K136 G137 L144	K136-H140 PolarHBondContact O-CE1 3.47Å; K136-H140 PolarHBondContact O-N 3.08Å; K136-H140 PolarHBondContact O-ND1 2.78Å; G137-H140 PolarHBondContact O-N 2.99Å; H140-L144 WeakPolarHBondContact O-CG 3.24Å
141	R	93.6	Very high	95.6	Very high	23 Å²	23	52.8 Å²	52.8	9%	0.087	26%	0.26	C	S	.	.	I	π-helix	trans	-76.8	-36.6	-166.9	-49.6	178.5	175.3	170	-3.9	113.7	G137 Q143 L144 G145 A186 I188 R199 G200	G137-R141 PolarHBondContact O-N 3.34Å; R141-Q143 VanDerWaalsContact C-N 3.31Å; R141-Q143 PolarHBondContact O-N 3.01Å; R141-L144 WeakPolarHBondContact O-CB 3.05Å; R141-L144 PolarHBondContact O-N 2.92Å; R141-G145 PolarHBondContact O-N 3.31Å; R141-A186 HydrophobicContact CB-CB 4.05Å; R141-I188 HydrophobicContact CB-CG2 4.5Å; R141-R199 PolarHBondContact NH1-O 2.88Å; R141-G200 PolarHBondContact NH2-O 3.12Å
142	Y	97.4	Very high	95.5	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-38.6	-177.6	-67.3	-23	0	0	0	111.6	P34 Q35 Y38 G137 I138 L144 G145 C146 A186	P34-Y142 HydrophobicContact CB-CE2 4.14Å; Q35-Y142 HydrophobicContact CB-CD1 3.51Å; Q35-Y142 HydrophobicContact CB-CE1 3.8Å; Q35-Y142 HydrophobicContact CB-CG 3.96Å; Q35-Y142 HydrophobicContact CG-CD1 3.64Å; Q35-Y142 HydrophobicContact CG-CE1 4.4Å; Q35-Y142 HydrophobicContact CG-CG 3.98Å; Y38-Y142 HydrophobicContact CD2-CD2 4.26Å; Y38-Y142 HydrophobicContact CG-CD2 4.14Å; Y38-Y142 HydrophobicContact CG-CG 4.43Å; G137-Y142 WeakPolarHBondContact O-CB 3.2Å; G137-Y142 PolarHBondContact O-N 3.38Å; I138-Y142 HydrophobicContact CG1-CD2 4.04Å; I138-Y142 HydrophobicContact CG1-CE2 3.87Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 2.59Å; Y142-G145 CarbonylContact O-C 3.58Å; Y142-G145 PolarHBondContact O-N 2.93Å; Y142-C146 PolarHBondContact O-N 3.14Å; Y142-C146 PolarHBondContact O-SG 2.86Å; Y142-A186 HydrophobicContact CD1-CB 3.9Å; Y142-A186 HydrophobicContact CE1-CB 3.86Å
143	Q	95.8	Very high	95.5	Very high	98 Å²	98	48.4 Å²	48.4	46%	0.458	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-40.6	174.6	-174.9	59.5	44.6	0	0	112.5	Y38 R141 G145 C146	Y38-Q143 HydrophobicContact CE1-CB 3.87Å; R141-Q143 VanDerWaalsContact C-N 3.31Å; R141-Q143 PolarHBondContact O-N 3.01Å; Q143-G145 PolarHBondContact O-N 2.51Å; Q143-C146 PolarHBondContact O-N 2.9Å
144	L	93.8	Very high	95.3	Very high	118 Å²	118	52.8 Å²	52.8	62%	0.618	26%	0.256	S	S	*	.	H	α-helix	trans	-66.2	-24.3	176.6	-61.8	173.8	0	0	0	112.7	H140 R141 Y142	H140-L144 WeakPolarHBondContact O-CG 3.24Å; R141-L144 WeakPolarHBondContact O-CB 3.05Å; R141-L144 PolarHBondContact O-N 2.92Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 2.59Å
145	G	96.1	Very high	95	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-0	-178.2	0	0	0	0	0	114.9	Q35 R141 Y142 Q143 N147 C148 C187	Q35-G145 VanDerWaalsContact NE2-C 3.34Å; Q35-G145 PolarHBondContact NE2-O 2.99Å; R141-G145 PolarHBondContact O-N 3.31Å; Y142-G145 CarbonylContact O-C 3.58Å; Y142-G145 PolarHBondContact O-N 2.93Å; Q143-G145 PolarHBondContact O-N 2.51Å; G145-N147 PolarHBondContact O-N 3.13Å; G145-N147 VanDerWaalsContact O-N 3.16Å; G145-C148 VanDerWaalsContact O-CB 3.31Å; G145-C148 WeakPolarHBondContact O-CB 3.37Å; G145-C148 PolarHBondContact O-N 2.77Å; G145-C187 WeakPolarHBondContact CA-O 3.37Å
146	C	96.6	Very high	94.8	Very high	39 Å²	39	65.8 Å²	65.8	26%	0.264	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.7	-175.4	-67.5	0	0	0	0	114.6	C39 Y142 Q143 C148	C39-C146 VanDerWaalsContact CA-SG 3.53Å; C39-C146 HydrophobicContact CB-CB 3.8Å; C39-C146 WeakPolarHBondContact CB-SG 3.3Å; C39-C146 WeakPolarHBondContact SG-CA 3.48Å; C39-C146 WeakPolarHBondContact SG-CB 3.45Å; C39-C146 CovalentContact SG-SG 2.05Å; C39-C146 PolarHBondContact SG-SG 3.16Å; Y142-C146 PolarHBondContact O-N 3.14Å; Y142-C146 PolarHBondContact O-SG 2.86Å; Q143-C146 PolarHBondContact O-N 2.9Å; C146-C148 VanDerWaalsContact C-N 3.33Å
147	N	95.4	Very high	94.7	Very high	132 Å²	132	65.6 Å²	65.6	71%	0.706	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.3	171.4	-66.7	-18.1	0	0	0	113	G145	G145-N147 PolarHBondContact O-N 3.13Å; G145-N147 VanDerWaalsContact O-N 3.16Å
148	C	97	Very high	94.6	Very high	8 Å²	8	66.9 Å²	66.9	5%	0.054	33%	0.332	C	S	.	.	S	Bend	trans	-93.9	140.5	175.1	-61.2	0	0	0	0	110.3	G145 C146 N164 C187 I188 Q189 C195	G145-C148 VanDerWaalsContact O-CB 3.31Å; G145-C148 WeakPolarHBondContact O-CB 3.37Å; G145-C148 PolarHBondContact O-N 2.77Å; C146-C148 VanDerWaalsContact C-N 3.33Å; C148-N164 CarbonylContact C-O 3.56Å; C148-N164 WeakPolarHBondContact CA-O 3.35Å; C148-C187 HydrophobicContact CB-CB 4.46Å; C148-C187 WeakPolarHBondContact CB-SG 3.32Å; C148-I188 VanDerWaalsContact SG-C 3.53Å; C148-Q189 PolarHBondContact SG-N 3Å; C148-C195 VanDerWaalsContact CA-SG 3.53Å; C148-C195 HydrophobicContact CB-CB 3.62Å; C148-C195 WeakPolarHBondContact CB-SG 3.44Å; C148-C195 WeakPolarHBondContact SG-CB 3.3Å; C148-C195 CovalentContact SG-SG 2.03Å; C148-C195 PolarHBondContact SG-SG 2.91Å
149	R	96.8	Very high	94.4	Very high	148 Å²	148	73.6 Å²	73.6	56%	0.558	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.1	177.4	-180	-179.5	-175.4	-166.6	11.8	110.2	N164 E165 C166	R149-N164 PolarHBondContact N-O 2.92Å; R149-E165 HydrophobicContact CB-CG 4.02Å; R149-E165 HydrophobicContact CG-CG 4.29Å; R149-E165 IonicContact CZ-OE1 2.75Å; R149-E165 IonicContact NE-OE1 2.93Å; R149-E165 IonicContact NH1-OE1 3.75Å; R149-E165 PolarHBondContact NH1-OE1 3.11Å; R149-E165 CarbonylContact O-C 3.53Å; R149-E165 VanDerWaalsContact O-CA 3.23Å; R149-E165 WeakPolarHBondContact O-CA 3.44Å; R149-C166 PolarHBondContact O-N 3.25Å
150	I	97.4	Very high	94.3	Very high	11 Å²	11	74 Å²	74	6%	0.056	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.1	171.3	-60.4	178.1	0	0	0	107.7	H33 Q35 P152 W168 C187 W197	H33-I150 HydrophobicContact CB-CD1 3.87Å; H33-I150 HydrophobicContact CB-CG2 4.09Å; H33-I150 WeakPolarHBondContact ND1-CD1 3.23Å; Q35-I150 HydrophobicContact CB-CD1 3.78Å; Q35-I150 HydrophobicContact CG-CD1 4.17Å; I150-P152 WeakPolarHBondContact O-CD 3.27Å; I150-W168 HydrophobicContact CG2-CB 3.62Å; I150-W168 HydrophobicContact CG2-CD2 4.36Å; I150-W168 HydrophobicContact CG2-CE3 4.37Å; I150-W168 HydrophobicContact CG2-CG 4.09Å; I150-C187 HydrophobicContact CD1-CB 4.05Å; I150-C187 HydrophobicContact CG1-CB 3.75Å; I150-W197 HydrophobicContact CD1-CH2 3.98Å; I150-W197 HydrophobicContact CD1-CZ3 4.32Å; I150-W197 HydrophobicContact CG1-CH2 4.21Å; I150-W197 HydrophobicContact CG2-CH2 3.91Å; I150-W197 HydrophobicContact CG2-CZ2 4.12Å
151	K	96	Very high	94.4	Very high	51 Å²	51	74.6 Å²	74.6	22%	0.222	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.7	-175.9	-175.9	177.9	-179.3	-179.9	0	109.6	F159 T161 C166 L167 W168	K151-F159 PolarHBondContact NZ-O 3.41Å; K151-T161 PolarHBondContact NZ-OG1 2.85Å; K151-C166 PolarHBondContact N-O 3.48Å; K151-L167 HydrophobicContact CB-CD1 4.48Å; K151-L167 HydrophobicContact CD-CD1 4.4Å; K151-L167 HydrophobicContact CG-CD1 4.38Å; K151-W168 PolarHBondContact O-N 3.43Å
152	P	94.4	Very high	94.4	Very high	57 Å²	57	76 Å²	76	37%	0.37	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	140	176.7	27.3	-33.4	0	0	0	111	I150 W168	I150-P152 WeakPolarHBondContact O-CD 3.27Å; P152-W168 HydrophobicContact CB-CE3 3.93Å; P152-W168 HydrophobicContact CB-CZ3 4.5Å
153	C	93.6	Very high	94.2	Very high	1 Å²	1	83.7 Å²	83.7	1%	0.007	42%	0.423	C	S	.	.			trans	-111.9	103	173.6	178.5	0	0	0	0	109.3	C158 L167 W168 T169 M171	C153-C158 WeakPolarHBondContact CA-SG 3.47Å; C153-C158 HydrophobicContact CB-CB 3.68Å; C153-C158 WeakPolarHBondContact CB-SG 3.38Å; C153-C158 WeakPolarHBondContact SG-CB 3.08Å; C153-C158 CovalentContact SG-SG 2.02Å; C153-C158 PolarHBondContact SG-SG 2.63Å; C153-L167 HydrophobicContact CB-CD1 4.05Å; C153-L167 HydrophobicContact CB-CD2 4.48Å; C153-L167 HydrophobicContact CB-CG 4.18Å; C153-W168 WeakPolarHBondContact CB-O 3.4Å; C153-W168 PolarHBondContact N-O 2.95Å; C153-T169 HydrophobicContact CB-CG2 4.21Å; C153-M171 WeakPolarHBondContact O-CB 3.38Å
154	H	90.7	Very high	94.2	Very high	110 Å²	110	82 Å²	82	51%	0.509	42%	0.417	S	S	.	.			trans	-88.8	-30.4	-178	-66.2	-72.6	0	0	0	113.3
155	Y	90.2	Very high	94.3	Very high	185 Å²	185	76.9 Å²	76.9	73%	0.725	39%	0.39	S	S	*	.	S	Bend	trans	-150.2	142.4	-177.5	39.4	-95.7	0	0	0	109.6	C158	Y155-C158 PolarHBondContact O-SG 3.23Å
156	L	92.4	Very high	94.4	Very high	133 Å²	133	77 Å²	77	70%	0.696	39%	0.391	S	S	*	.	S	Bend	trans	-77.1	148.2	178.3	-69.2	174	0	0	0	110.9	L172	L156-L172 HydrophobicContact CD1-CD1 4.35Å; L156-L172 HydrophobicContact CD2-CD1 3.52Å; L156-L172 HydrophobicContact CG-CD1 3.79Å; L156-L172 HydrophobicContact CG-CD2 4.37Å
157	P	93.9	Very high	94.4	Very high	97 Å²	97	76.9 Å²	76.9	63%	0.63	39%	0.387	S	S	*	.			cis	-87.8	148.8	-0.5	35.6	-35.2	0	0	0	113.1	F159	P157-F159 HydrophobicContact CB-CE2 3.61Å; P157-F159 HydrophobicContact CB-CZ 3.64Å; P157-F159 HydrophobicContact CG-CE2 3.94Å; P157-F159 HydrophobicContact CG-CZ 4.32Å
158	C	93.4	Very high	94.4	Very high	29 Å²	29	70.7 Å²	70.7	20%	0.196	35%	0.354	C	S	.	.			trans	-126.8	137.4	175.7	-61.7	0	0	0	0	111.3	C153 Y155 L167	C153-C158 WeakPolarHBondContact CA-SG 3.47Å; C153-C158 HydrophobicContact CB-CB 3.68Å; C153-C158 WeakPolarHBondContact CB-SG 3.38Å; C153-C158 WeakPolarHBondContact SG-CB 3.08Å; C153-C158 CovalentContact SG-SG 2.02Å; C153-C158 PolarHBondContact SG-SG 2.63Å; Y155-C158 PolarHBondContact O-SG 3.23Å; C158-L167 HydrophobicContact CB-CD1 3.78Å; C158-L167 HydrophobicContact CB-CD2 3.81Å; C158-L167 HydrophobicContact CB-CG 4.35Å
159	F	93.6	Very high	94.2	Very high	142 Å²	142	72.8 Å²	72.8	62%	0.623	37%	0.367	S	S	*	.			trans	-133.8	150.8	-179.1	-51.6	-77.8	0	0	0	111.8	K151 P157	K151-F159 PolarHBondContact NZ-O 3.41Å; P157-F159 HydrophobicContact CB-CE2 3.61Å; P157-F159 HydrophobicContact CB-CZ 3.64Å; P157-F159 HydrophobicContact CG-CE2 3.94Å; P157-F159 HydrophobicContact CG-CZ 4.32Å
160	V	93.4	Very high	94	Very high	80 Å²	80	66.4 Å²	66.4	49%	0.485	34%	0.344	S	S	.	.			trans	-69.2	125.8	167.7	172.3	0	0	0	0	107.9	S162 E165 L167	V160-S162 WeakPolarHBondContact CG1-O 3.3Å; V160-E165 HydrophobicContact CG1-CB 4.1Å; V160-L167 HydrophobicContact CG2-CB 4.22Å
161	T	92	Very high	93.6	Very high	103 Å²	103	68.2 Å²	68.2	63%	0.632	35%	0.353	S	S	*	.			trans	-104	-13.9	-177.3	33.5	0	0	0	0	112.9	K151 E165	K151-T161 PolarHBondContact NZ-OG1 2.85Å; T161-E165 PolarHBondContact N-OE2 3.14Å; T161-E165 PolarHBondContact OG1-OE1 3.39Å; T161-E165 PolarHBondContact OG1-OE2 2.83Å
162	S	93.3	Very high	93.3	Very high	52 Å²	52	68.6 Å²	68.6	36%	0.364	36%	0.357	S	S	.	.	S	Bend	trans	-144.8	152.8	-179.2	167.6	0	0	0	0	111.1	V160 N164 E165	V160-S162 WeakPolarHBondContact CG1-O 3.3Å; S162-N164 WeakPolarHBondContact CB-OD1 3.32Å; S162-N164 PolarHBondContact O-N 3.48Å; S162-N164 VanDerWaalsContact O-N 3.14Å; S162-N164 PolarHBondContact OG-N 3.17Å; S162-N164 PolarHBondContact OG-OD1 3.23Å; S162-E165 PolarHBondContact N-OE2 3.4Å; S162-E165 PolarHBondContact O-N 3.29Å; S162-E165 VanDerWaalsContact O-N 3.16Å
163	K	93.6	Very high	92.5	Very high	164 Å²	164	68.4 Å²	68.4	71%	0.713	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.4	175.9	-66.8	-175.2	178.4	-176.1	0	113.1	E165 Y194 C195	K163-E165 VanDerWaalsContact C-N 3.33Å; K163-Y194 CarbonylContact O-C 3.47Å; K163-Y194 VanDerWaalsContact O-CA 3.27Å; K163-Y194 WeakPolarHBondContact O-CA 3.4Å; K163-C195 PolarHBondContact O-N 2.92Å
164	N	95.1	Very high	91.2	Very high	63 Å²	63	77.3 Å²	77.3	34%	0.337	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	13.4	-179	75.1	-24.5	0	0	0	114.3	C148 R149 S162	C148-N164 CarbonylContact C-O 3.56Å; C148-N164 WeakPolarHBondContact CA-O 3.35Å; R149-N164 PolarHBondContact N-O 2.92Å; S162-N164 WeakPolarHBondContact CB-OD1 3.32Å; S162-N164 PolarHBondContact O-N 3.48Å; S162-N164 VanDerWaalsContact O-N 3.14Å; S162-N164 PolarHBondContact OG-N 3.17Å; S162-N164 PolarHBondContact OG-OD1 3.23Å
165	E	96.4	Very high	89.9	Confident	9 Å²	9	81.5 Å²	81.5	4%	0.042	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.1	-176.1	-71.5	177.9	162.3	0	0	113.3	R149 V160 T161 S162 K163	R149-E165 HydrophobicContact CB-CG 4.02Å; R149-E165 HydrophobicContact CG-CG 4.29Å; R149-E165 IonicContact CZ-OE1 2.75Å; R149-E165 IonicContact NE-OE1 2.93Å; R149-E165 IonicContact NH1-OE1 3.75Å; R149-E165 PolarHBondContact NH1-OE1 3.11Å; R149-E165 CarbonylContact O-C 3.53Å; R149-E165 VanDerWaalsContact O-CA 3.23Å; R149-E165 WeakPolarHBondContact O-CA 3.44Å; V160-E165 HydrophobicContact CG1-CB 4.1Å; T161-E165 PolarHBondContact N-OE2 3.14Å; T161-E165 PolarHBondContact OG1-OE1 3.39Å; T161-E165 PolarHBondContact OG1-OE2 2.83Å; S162-E165 PolarHBondContact N-OE2 3.4Å; S162-E165 PolarHBondContact O-N 3.29Å; S162-E165 VanDerWaalsContact O-N 3.16Å; K163-E165 VanDerWaalsContact C-N 3.33Å
166	C	97.2	Very high	88.5	Confident	4 Å²	4	75 Å²	75	3%	0.027	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129	163	-58.5	0	0	0	0	110.2	R149 K151 W168 C187 S196 W197	R149-C166 PolarHBondContact O-N 3.25Å; K151-C166 PolarHBondContact N-O 3.48Å; C166-W168 PolarHBondContact O-N 3.19Å; C166-C187 HydrophobicContact CB-CB 3.62Å; C166-C187 WeakPolarHBondContact CB-SG 3.21Å; C166-C187 VanDerWaalsContact SG-CA 3.57Å; C166-C187 WeakPolarHBondContact SG-CB 3.45Å; C166-C187 CovalentContact SG-SG 2.02Å; C166-C187 PolarHBondContact SG-SG 2.98Å; C166-S196 VanDerWaalsContact SG-CA 3.56Å; C166-W197 HydrophobicContact CB-CD2 4.02Å; C166-W197 HydrophobicContact CB-CG 4.39Å; C166-W197 HydrophobicContact CB-CZ2 3.96Å
167	L	96.3	Very high	87.3	Confident	35 Å²	35	75.2 Å²	75.2	18%	0.183	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.1	178.9	-167.2	73.1	0	0	0	111.6	K151 C153 C158 V160 T169 Q181 W197	K151-L167 HydrophobicContact CB-CD1 4.48Å; K151-L167 HydrophobicContact CD-CD1 4.4Å; K151-L167 HydrophobicContact CG-CD1 4.38Å; C153-L167 HydrophobicContact CB-CD1 4.05Å; C153-L167 HydrophobicContact CB-CD2 4.48Å; C153-L167 HydrophobicContact CB-CG 4.18Å; C158-L167 HydrophobicContact CB-CD1 3.78Å; C158-L167 HydrophobicContact CB-CD2 3.81Å; C158-L167 HydrophobicContact CB-CG 4.35Å; V160-L167 HydrophobicContact CG2-CB 4.22Å; L167-T169 HydrophobicContact CD2-CG2 3.8Å; L167-T169 HydrophobicContact CG-CG2 3.98Å; L167-Q181 PolarHBondContact O-NE2 3.29Å; L167-W197 PolarHBondContact O-NE1 2.64Å
168	W	95.5	Very high	86.5	Confident	3 Å²	3	73 Å²	73	1%	0.011	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	106	179.7	-176.6	36.4	0	0	0	110.7	L31 H33 I150 K151 P152 C153 C166 D170 M171 Q181 S182 W197	L31-W168 HydrophobicContact CB-CH2 4.17Å; L31-W168 HydrophobicContact CB-CZ3 4.38Å; H33-W168 HydrophobicContact CB-CD2 4.4Å; H33-W168 HydrophobicContact CB-CE3 4.4Å; H33-W168 HydrophobicContact CB-CH2 4.38Å; H33-W168 HydrophobicContact CB-CZ2 4.36Å; H33-W168 HydrophobicContact CB-CZ3 4.4Å; H33-W168 AromaticContact CD2-NE1 3.99Å; I150-W168 HydrophobicContact CG2-CB 3.62Å; I150-W168 HydrophobicContact CG2-CD2 4.36Å; I150-W168 HydrophobicContact CG2-CE3 4.37Å; I150-W168 HydrophobicContact CG2-CG 4.09Å; K151-W168 PolarHBondContact O-N 3.43Å; P152-W168 HydrophobicContact CB-CE3 3.93Å; P152-W168 HydrophobicContact CB-CZ3 4.5Å; C153-W168 WeakPolarHBondContact CB-O 3.4Å; C153-W168 PolarHBondContact N-O 2.95Å; C166-W168 PolarHBondContact O-N 3.19Å; W168-D170 PolarHBondContact NE1-OD2 2.78Å; W168-M171 HydrophobicContact CD2-CE 4.39Å; W168-M171 HydrophobicContact CE3-CE 4.16Å; W168-M171 HydrophobicContact CH2-CE 3.16Å; W168-M171 HydrophobicContact CZ2-CE 3.43Å; W168-M171 VanDerWaalsContact CZ2-CE 3.43Å; W168-M171 HydrophobicContact CZ3-CE 3.56Å; W168-Q181 VanDerWaalsContact CD1-OE1 3.29Å; W168-S182 VanDerWaalsContact CZ2-OG 3.3Å; W168-S182 WeakPolarHBondContact CZ2-OG 3.5Å; W168-S182 PolarHBondContact NE1-OG 3.39Å; W168-W197 HydrophobicContact CB-CZ2 4.06Å; W168-W197 HydrophobicContact CG-CZ2 4.49Å
169	T	93.8	Very high	86.3	Confident	52 Å²	52	72 Å²	72	32%	0.319	38%	0.377	S	S	.	.			trans	-106.1	6.6	-170.9	57	0	0	0	0	113.3	C153 L167 M171 L172 Q181	C153-T169 HydrophobicContact CB-CG2 4.21Å; L167-T169 HydrophobicContact CD2-CG2 3.8Å; L167-T169 HydrophobicContact CG-CG2 3.98Å; T169-M171 PolarHBondContact O-N 3.14Å; T169-M171 VanDerWaalsContact O-N 3.08Å; T169-L172 HydrophobicContact CG2-CD1 4.49Å; T169-L172 WeakPolarHBondContact O-CB 3.38Å; T169-L172 PolarHBondContact O-N 2.86Å; T169-Q181 PolarHBondContact OG1-OE1 3.23Å; T169-Q181 VanDerWaalsContact OG1-OE1 3.14Å
170	D	92.8	Very high	86.2	Confident	14 Å²	14	71 Å²	71	8%	0.075	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-56	-27.6	178.2	-77.5	-15.9	0	0	0	112.5	W168 L172 S173 G179 Y180 Q181 S182	W168-D170 PolarHBondContact NE1-OD2 2.78Å; D170-L172 VanDerWaalsContact C-N 3.27Å; D170-L172 PolarHBondContact O-N 3.07Å; D170-S173 WeakPolarHBondContact O-CB 3.48Å; D170-S173 PolarHBondContact O-N 2.88Å; D170-G179 VanDerWaalsContact CG-C 3.48Å; D170-G179 VanDerWaalsContact CG-CA 3.43Å; D170-G179 VanDerWaalsContact OD2-C 3.31Å; D170-G179 WeakPolarHBondContact OD2-CA 3.38Å; D170-Y180 PolarHBondContact OD1-N 2.8Å; D170-Q181 WeakPolarHBondContact OD1-CB 3.37Å; D170-Q181 PolarHBondContact OD1-N 3.23Å; D170-Q181 PolarHBondContact OD2-N 2.78Å; D170-S182 WeakPolarHBondContact OD2-CB 3.37Å; D170-S182 PolarHBondContact OD2-N 3.47Å; D170-S182 PolarHBondContact OD2-OG 2.91Å
171	M	88.6	Confident	86.2	Confident	48 Å²	48	68.4 Å²	68.4	24%	0.236	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-71	-20.5	179.2	-52.9	-53.7	165.1	0	0	113.9	L31 C153 W168 T169 S173	L31-M171 HydrophobicContact CB-CE 3.52Å; L31-M171 HydrophobicContact CD1-CE 3.39Å; L31-M171 HydrophobicContact CD1-SD 3.37Å; L31-M171 WeakPolarHBondContact CD1-SD 3.36Å; L31-M171 HydrophobicContact CD2-CE 4.42Å; L31-M171 HydrophobicContact CG-CE 3.94Å; L31-M171 HydrophobicContact CG-SD 4.49Å; C153-M171 WeakPolarHBondContact O-CB 3.38Å; W168-M171 HydrophobicContact CD2-CE 4.39Å; W168-M171 HydrophobicContact CE3-CE 4.16Å; W168-M171 HydrophobicContact CH2-CE 3.16Å; W168-M171 HydrophobicContact CZ2-CE 3.43Å; W168-M171 VanDerWaalsContact CZ2-CE 3.43Å; W168-M171 HydrophobicContact CZ3-CE 3.56Å; T169-M171 PolarHBondContact O-N 3.14Å; T169-M171 VanDerWaalsContact O-N 3.08Å; M171-S173 VanDerWaalsContact C-N 3.29Å
172	L	88.6	Confident	86.4	Confident	60 Å²	60	63.5 Å²	63.5	31%	0.314	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-83.6	-10.1	175.1	-57.6	-179.5	0	0	0	112.1	L156 T169 D170	L156-L172 HydrophobicContact CD1-CD1 4.35Å; L156-L172 HydrophobicContact CD2-CD1 3.52Å; L156-L172 HydrophobicContact CG-CD1 3.79Å; L156-L172 HydrophobicContact CG-CD2 4.37Å; T169-L172 HydrophobicContact CG2-CD1 4.49Å; T169-L172 WeakPolarHBondContact O-CB 3.38Å; T169-L172 PolarHBondContact O-N 2.86Å; D170-L172 VanDerWaalsContact C-N 3.27Å; D170-L172 PolarHBondContact O-N 3.07Å
173	S	77.9	Confident	86.4	Confident	52 Å²	52	66.2 Å²	66.2	36%	0.364	33%	0.325	S	S	.	.			trans	-86.8	130.9	-175.8	-167.1	0	0	0	0	111.3	D170 M171 F175	D170-S173 WeakPolarHBondContact O-CB 3.48Å; D170-S173 PolarHBondContact O-N 2.88Å; M171-S173 VanDerWaalsContact C-N 3.29Å; S173-F175 PolarHBondContact O-N 3.08Å; S173-F175 WeakPolarHBondContact OG-CD2 3.43Å
174	H	67.1	Low	86.4	Confident	188 Å²	188	61 Å²	61	87%	0.87	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.4	174.5	-61.3	-68.2	0	0	0	113.8	G176	H174-G176 VanDerWaalsContact C-N 3.27Å; H174-G176 PolarHBondContact O-N 3.06Å
175	F	62.3	Low	86.5	Confident	198 Å²	198	60.8 Å²	60.8	87%	0.868	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	16.6	-169.8	-66.2	-69.9	0	0	0	115.4	S173	S173-F175 PolarHBondContact O-N 3.08Å; S173-F175 WeakPolarHBondContact OG-CD2 3.43Å
176	G	62.4	Low	86.5	Confident	50 Å²	50	60.4 Å²	60.4	52%	0.515	30%	0.297	S	S	.	.			trans	79.9	167.9	173.4	0	0	0	0	0	115.1	H174	H174-G176 VanDerWaalsContact C-N 3.27Å; H174-G176 PolarHBondContact O-N 3.06Å
177	Y	65.4	Low	86.5	Confident	136 Å²	136	60.2 Å²	60.2	53%	0.533	30%	0.295	S	S	.	.	S	Bend	trans	-102.6	139.4	-176.8	-179.4	-95	0	0	0	111.5	L31	L31-Y177 HydrophobicContact CD2-CD2 4.36Å; L31-Y177 HydrophobicContact CD2-CE2 4.01Å
178	P	77.3	Confident	86.5	Confident	52 Å²	52	59.5 Å²	59.5	34%	0.338	29%	0.291	S	S	.	.	S	Bend	cis	-77.5	140	-1.1	30.6	-33.3	0	0	0	112.7	R183	P178-R183 HydrophobicContact CB-CG 4.27Å; P178-R183 HydrophobicContact CG-CG 4.02Å; P178-R183 WeakPolarHBondContact O-CD 3.48Å
179	G	89.1	Confident	86.4	Confident	7 Å²	7	64.4 Å²	64.4	7%	0.072	31%	0.314	C	S	.	.			trans	-74.5	179.1	-178.6	0	0	0	0	0	114.5	D170 Q181 S182 R183	D170-G179 VanDerWaalsContact CG-C 3.48Å; D170-G179 VanDerWaalsContact CG-CA 3.43Å; D170-G179 VanDerWaalsContact OD2-C 3.31Å; D170-G179 WeakPolarHBondContact OD2-CA 3.38Å; G179-Q181 PolarHBondContact O-N 3.4Å; G179-S182 PolarHBondContact O-N 3.44Å; G179-R183 WeakPolarHBondContact O-CG 3.39Å; G179-R183 PolarHBondContact O-N 3.41Å; G179-R183 VanDerWaalsContact O-N 3.14Å
180	Y	92.1	Very high	86.1	Confident	120 Å²	120	64.6 Å²	64.6	47%	0.471	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-41.6	-171.1	-168.8	-103	0	0	0	113	D170 R183 H184 Y185 R199	D170-Y180 PolarHBondContact OD1-N 2.8Å; Y180-R183 PolarHBondContact O-N 2.82Å; Y180-H184 AromaticContact CD2-CD2 3.38Å; Y180-H184 WeakPolarHBondContact CD2-CD2 3.42Å; Y180-H184 AromaticContact CD2-NE2 3.89Å; Y180-H184 AromaticContact CE2-CD2 3.38Å; Y180-H184 WeakPolarHBondContact CE2-CD2 2.93Å; Y180-H184 AromaticContact CE2-NE2 3.77Å; Y180-H184 AromaticContact CG-CD2 3.88Å; Y180-H184 AromaticContact CZ-CD2 3.9Å; Y180-H184 WeakPolarHBondContact O-CB 3.42Å; Y180-H184 PolarHBondContact O-CD2 3.18Å; Y180-H184 VanDerWaalsContact O-CD2 3.23Å; Y180-H184 PolarHBondContact O-N 3.45Å; Y180-Y185 HydrophobicContact CD1-CD2 4.49Å; Y180-Y185 AromaticContact CD1-CE2 3.8Å; Y180-Y185 HydrophobicContact CD1-CE2 3.8Å; Y180-Y185 AromaticContact CE1-CE2 3.58Å; Y180-Y185 HydrophobicContact CE1-CE2 3.58Å; Y180-R199 VanDerWaalsContact OH-CZ 3.27Å; Y180-R199 PolarHBondContact OH-NH1 3.49Å; Y180-R199 PolarHBondContact OH-NH2 3.48Å
181	Q	94.4	Very high	85.5	Confident	26 Å²	26	71.9 Å²	71.9	12%	0.121	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-47.7	178.2	-69.2	174.6	-46.4	0	0	110.8	L167 W168 T169 D170 G179 R183 H184 Y185 W197	L167-Q181 PolarHBondContact O-NE2 3.29Å; W168-Q181 VanDerWaalsContact CD1-OE1 3.29Å; T169-Q181 PolarHBondContact OG1-OE1 3.23Å; T169-Q181 VanDerWaalsContact OG1-OE1 3.14Å; D170-Q181 WeakPolarHBondContact OD1-CB 3.37Å; D170-Q181 PolarHBondContact OD1-N 3.23Å; D170-Q181 PolarHBondContact OD2-N 2.78Å; G179-Q181 PolarHBondContact O-N 3.4Å; Q181-R183 PolarHBondContact O-N 3.01Å; Q181-R183 VanDerWaalsContact O-N 3.17Å; Q181-H184 PolarHBondContact O-N 3.03Å; Q181-H184 VanDerWaalsContact O-N 3.12Å; Q181-Y185 HydrophobicContact CG-CD2 4.46Å; Q181-Y185 PolarHBondContact O-N 2.02Å; Q181-W197 VanDerWaalsContact NE2-NE1 3.11Å
182	S	94.9	Very high	85.2	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-57.3	-32.1	177.2	-56.9	0	0	0	0	113.8	H33 Q134 W168 D170 G179	H33-S182 WeakPolarHBondContact NE2-CA 3.15Å; Q134-S182 PolarHBondContact NE2-O 3.07Å; W168-S182 VanDerWaalsContact CZ2-OG 3.3Å; W168-S182 WeakPolarHBondContact CZ2-OG 3.5Å; W168-S182 PolarHBondContact NE1-OG 3.39Å; D170-S182 WeakPolarHBondContact OD2-CB 3.37Å; D170-S182 PolarHBondContact OD2-N 3.47Å; D170-S182 PolarHBondContact OD2-OG 2.91Å; G179-S182 PolarHBondContact O-N 3.44Å
183	R	93.9	Very high	84.9	Confident	110 Å²	110	76.8 Å²	76.8	42%	0.415	37%	0.371	S	S	.	.	H	α-helix	trans	-88.7	-23.1	-179.7	-66.9	-176.7	87.1	161.8	3.3	113.1	S131 P178 G179 Y180 Q181	S131-R183 VanDerWaalsContact CB-O 3.3Å; S131-R183 WeakPolarHBondContact CB-O 3.31Å; S131-R183 PolarHBondContact OG-O 3.06Å; P178-R183 HydrophobicContact CB-CG 4.27Å; P178-R183 HydrophobicContact CG-CG 4.02Å; P178-R183 WeakPolarHBondContact O-CD 3.48Å; G179-R183 WeakPolarHBondContact O-CG 3.39Å; G179-R183 PolarHBondContact O-N 3.41Å; G179-R183 VanDerWaalsContact O-N 3.14Å; Y180-R183 PolarHBondContact O-N 2.82Å; Q181-R183 PolarHBondContact O-N 3.01Å; Q181-R183 VanDerWaalsContact O-N 3.17Å
184	H	94.3	Very high	85.6	Confident	54 Å²	54	79.1 Å²	79.1	25%	0.25	37%	0.373	C	S	.	.	H	α-helix	trans	-127.5	-16.4	-165.9	-63	-68.3	0	0	0	115.9	A133 Y180 Q181	A133-H184 WeakPolarHBondContact CB-O 3.03Å; Y180-H184 AromaticContact CD2-CD2 3.38Å; Y180-H184 WeakPolarHBondContact CD2-CD2 3.42Å; Y180-H184 AromaticContact CD2-NE2 3.89Å; Y180-H184 AromaticContact CE2-CD2 3.38Å; Y180-H184 WeakPolarHBondContact CE2-CD2 2.93Å; Y180-H184 AromaticContact CE2-NE2 3.77Å; Y180-H184 AromaticContact CG-CD2 3.88Å; Y180-H184 AromaticContact CZ-CD2 3.9Å; Y180-H184 WeakPolarHBondContact O-CB 3.42Å; Y180-H184 PolarHBondContact O-CD2 3.18Å; Y180-H184 VanDerWaalsContact O-CD2 3.23Å; Y180-H184 PolarHBondContact O-N 3.45Å; Q181-H184 PolarHBondContact O-N 3.03Å; Q181-H184 VanDerWaalsContact O-N 3.12Å
185	Y	95.9	Very high	87	Confident	58 Å²	58	70.7 Å²	70.7	23%	0.227	34%	0.335	C	S	.	.			trans	-122.1	156.4	-171.6	-67.4	-95.5	0	0	0	113.1	H33 Y180 Q181 W197 R199	H33-Y185 PolarHBondContact CE1-O 3.27Å; Y180-Y185 HydrophobicContact CD1-CD2 4.49Å; Y180-Y185 AromaticContact CD1-CE2 3.8Å; Y180-Y185 HydrophobicContact CD1-CE2 3.8Å; Y180-Y185 AromaticContact CE1-CE2 3.58Å; Y180-Y185 HydrophobicContact CE1-CE2 3.58Å; Q181-Y185 HydrophobicContact CG-CD2 4.46Å; Q181-Y185 PolarHBondContact O-N 2.02Å; Y185-W197 HydrophobicContact CD1-CB 3.71Å; Y185-W197 HydrophobicContact CE1-CB 4.35Å; Y185-W197 HydrophobicContact CG-CB 4.26Å; Y185-R199 HydrophobicContact CD1-CB 3.91Å; Y185-R199 HydrophobicContact CE1-CB 3.69Å; Y185-R199 HydrophobicContact CE1-CG 4.38Å
186	A	97.3	Very high	88.5	Confident	2 Å²	2	63.1 Å²	63.1	2%	0.017	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138	165.8	0	0	0	0	0	108.1	R141 Y142 I188 Y198	R141-A186 HydrophobicContact CB-CB 4.05Å; Y142-A186 HydrophobicContact CD1-CB 3.9Å; Y142-A186 HydrophobicContact CE1-CB 3.86Å; A186-I188 HydrophobicContact CB-CG2 4.08Å; A186-I188 PolarHBondContact O-N 3.25Å; A186-Y198 PolarHBondContact N-O 2.93Å; A186-Y198 PolarHBondContact O-N 3.39Å
187	C	97.3	Very high	90.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.4	174.9	177.6	0	0	0	0	108.2	Q35 G145 C148 I150 C166 W197	Q35-C187 PolarHBondContact NE2-O 3.23Å; Q35-C187 PolarHBondContact OE1-O 2.86Å; G145-C187 WeakPolarHBondContact CA-O 3.37Å; C148-C187 HydrophobicContact CB-CB 4.46Å; C148-C187 WeakPolarHBondContact CB-SG 3.32Å; I150-C187 HydrophobicContact CD1-CB 4.05Å; I150-C187 HydrophobicContact CG1-CB 3.75Å; C166-C187 HydrophobicContact CB-CB 3.62Å; C166-C187 WeakPolarHBondContact CB-SG 3.21Å; C166-C187 VanDerWaalsContact SG-CA 3.57Å; C166-C187 WeakPolarHBondContact SG-CB 3.45Å; C166-C187 CovalentContact SG-SG 2.02Å; C166-C187 PolarHBondContact SG-SG 2.98Å; C187-W197 HydrophobicContact CB-CE3 3.93Å; C187-W197 HydrophobicContact CB-CH2 4.29Å; C187-W197 HydrophobicContact CB-CZ3 3.79Å
188	I	95.6	Very high	91.4	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.5	-175.1	65.2	174.7	0	0	0	110.8	R141 C148 A186 Q190 C195 S196 Y198	R141-I188 HydrophobicContact CB-CG2 4.5Å; C148-I188 VanDerWaalsContact SG-C 3.53Å; A186-I188 HydrophobicContact CB-CG2 4.08Å; A186-I188 PolarHBondContact O-N 3.25Å; I188-Q190 PolarHBondContact O-N 2.8Å; I188-C195 WeakPolarHBondContact O-CA 3.39Å; I188-S196 PolarHBondContact N-O 3.45Å; I188-S196 PolarHBondContact O-N 2.98Å; I188-Y198 VanDerWaalsContact CD1-CB 3.49Å; I188-Y198 HydrophobicContact CD1-CD1 3.54Å; I188-Y198 HydrophobicContact CD1-CD2 4.05Å; I188-Y198 HydrophobicContact CD1-CE1 4.21Å; I188-Y198 HydrophobicContact CD1-CG 3.43Å; I188-Y198 VanDerWaalsContact CD1-CG 3.43Å; I188-Y198 HydrophobicContact CG1-CG 4.14Å
189	Q	93	Very high	91.9	Very high	106 Å²	106	61.8 Å²	61.8	50%	0.495	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.5	173.6	-165.9	174.3	29.7	0	0	109.7	C148 G193	C148-Q189 PolarHBondContact SG-N 3Å; Q189-G193 PolarHBondContact NE2-O 3.34Å
190	Q	88.3	Confident	91	Very high	57 Å²	57	62.1 Å²	62.1	27%	0.266	28%	0.282	S	S	.	.			trans	-94.1	-176.8	175	-59.7	-61.8	-15.7	0	0	110.7	I188 G193 Y194 S196	I188-Q190 PolarHBondContact O-N 2.8Å; Q190-G193 PolarHBondContact O-N 3.29Å; Q190-Y194 HydrophobicContact CB-CD1 4.36Å; Q190-Y194 HydrophobicContact CB-CD2 3.92Å; Q190-Y194 HydrophobicContact CB-CE1 3.93Å; Q190-Y194 HydrophobicContact CB-CE2 3.43Å; Q190-Y194 VanDerWaalsContact CB-CE2 3.43Å; Q190-Y194 HydrophobicContact CB-CG 4.35Å; Q190-Y194 VanDerWaalsContact CB-CZ 3.41Å; Q190-Y194 HydrophobicContact CG-CD2 4.01Å; Q190-Y194 HydrophobicContact CG-CE2 3.44Å; Q190-Y194 VanDerWaalsContact CG-CE2 3.44Å; Q190-Y194 PolarHBondContact N-O 3.43Å; Q190-S196 WeakPolarHBondContact CG-OG 3.42Å; Q190-S196 PolarHBondContact NE2-OG 2.93Å; Q190-S196 VanDerWaalsContact NE2-OG 3.11Å
191	K	80	Confident	89.4	Confident	166 Å²	166	63.7 Å²	63.7	72%	0.722	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-56.5	152.1	167.6	-61.2	-178.2	-178.1	176.9	0	109	G193 Y194	K191-G193 PolarHBondContact O-N 3.44Å; K191-G193 VanDerWaalsContact O-N 3.13Å; K191-Y194 WeakPolarHBondContact O-CD1 3.49Å; K191-Y194 WeakPolarHBondContact O-CE1 3.37Å
192	E	81.4	Confident	87.2	Confident	182 Å²	182	65.8 Å²	65.8	85%	0.85	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	67.4	5.7	-178.8	-53.5	162.9	-165.4	0	0	115.7	Y194	E192-Y194 HydrophobicContact CB-CD1 4.21Å; E192-Y194 HydrophobicContact CB-CE1 4.4Å; E192-Y194 PolarHBondContact O-N 2.96Å
193	G	82.7	Confident	84.7	Confident	29 Å²	29	68.7 Å²	68.7	30%	0.299	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	85.8	1.4	167.9	0	0	0	0	0	115.7	Q189 Q190 K191	Q189-G193 PolarHBondContact NE2-O 3.34Å; Q190-G193 PolarHBondContact O-N 3.29Å; K191-G193 PolarHBondContact O-N 3.44Å; K191-G193 VanDerWaalsContact O-N 3.13Å
194	Y	92.4	Very high	82.3	Confident	101 Å²	101	74.6 Å²	74.6	40%	0.396	37%	0.369	S	S	.	.			trans	-78.9	147.3	173	68.7	-91.3	0	0	0	111.9	K163 Q190 K191 E192	K163-Y194 CarbonylContact O-C 3.47Å; K163-Y194 VanDerWaalsContact O-CA 3.27Å; K163-Y194 WeakPolarHBondContact O-CA 3.4Å; Q190-Y194 HydrophobicContact CB-CD1 4.36Å; Q190-Y194 HydrophobicContact CB-CD2 3.92Å; Q190-Y194 HydrophobicContact CB-CE1 3.93Å; Q190-Y194 HydrophobicContact CB-CE2 3.43Å; Q190-Y194 VanDerWaalsContact CB-CE2 3.43Å; Q190-Y194 HydrophobicContact CB-CG 4.35Å; Q190-Y194 VanDerWaalsContact CB-CZ 3.41Å; Q190-Y194 HydrophobicContact CG-CD2 4.01Å; Q190-Y194 HydrophobicContact CG-CE2 3.44Å; Q190-Y194 VanDerWaalsContact CG-CE2 3.44Å; Q190-Y194 PolarHBondContact N-O 3.43Å; K191-Y194 WeakPolarHBondContact O-CD1 3.49Å; K191-Y194 WeakPolarHBondContact O-CE1 3.37Å; E192-Y194 HydrophobicContact CB-CD1 4.21Å; E192-Y194 HydrophobicContact CB-CE1 4.4Å; E192-Y194 PolarHBondContact O-N 2.96Å
195	C	96.1	Very high	79.7	Confident	12 Å²	12	77.8 Å²	77.8	8%	0.081	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.2	174	-68	0	0	0	0	110.1	C148 K163 I188	C148-C195 VanDerWaalsContact CA-SG 3.53Å; C148-C195 HydrophobicContact CB-CB 3.62Å; C148-C195 WeakPolarHBondContact CB-SG 3.44Å; C148-C195 WeakPolarHBondContact SG-CB 3.3Å; C148-C195 CovalentContact SG-SG 2.03Å; C148-C195 PolarHBondContact SG-SG 2.91Å; K163-C195 PolarHBondContact O-N 2.92Å; I188-C195 WeakPolarHBondContact O-CA 3.39Å
196	S	95.3	Very high	77	Confident	38 Å²	38	85 Å²	85	27%	0.266	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.4	176.4	73.6	0	0	0	0	112.4	C166 I188 Q190 Y198	C166-S196 VanDerWaalsContact SG-CA 3.56Å; I188-S196 PolarHBondContact N-O 3.45Å; I188-S196 PolarHBondContact O-N 2.98Å; Q190-S196 WeakPolarHBondContact CG-OG 3.42Å; Q190-S196 PolarHBondContact NE2-OG 2.93Å; Q190-S196 VanDerWaalsContact NE2-OG 3.11Å; S196-Y198 PolarHBondContact O-N 3.42Å
197	W	96	Very high	74.3	Confident	53 Å²	53	89.2 Å²	89.2	20%	0.201	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123.9	176.6	-74.3	123.6	0	0	0	111.6	H33 I150 C166 L167 W168 Q181 Y185 C187	H33-W197 AromaticContact CD2-CH2 3.83Å; H33-W197 AromaticContact CE1-CZ3 3.88Å; H33-W197 AromaticContact NE2-CH2 3.7Å; H33-W197 AromaticContact NE2-CZ3 3.68Å; I150-W197 HydrophobicContact CD1-CH2 3.98Å; I150-W197 HydrophobicContact CD1-CZ3 4.32Å; I150-W197 HydrophobicContact CG1-CH2 4.21Å; I150-W197 HydrophobicContact CG2-CH2 3.91Å; I150-W197 HydrophobicContact CG2-CZ2 4.12Å; C166-W197 HydrophobicContact CB-CD2 4.02Å; C166-W197 HydrophobicContact CB-CG 4.39Å; C166-W197 HydrophobicContact CB-CZ2 3.96Å; L167-W197 PolarHBondContact O-NE1 2.64Å; W168-W197 HydrophobicContact CB-CZ2 4.06Å; W168-W197 HydrophobicContact CG-CZ2 4.49Å; Q181-W197 VanDerWaalsContact NE2-NE1 3.11Å; Y185-W197 HydrophobicContact CD1-CB 3.71Å; Y185-W197 HydrophobicContact CE1-CB 4.35Å; Y185-W197 HydrophobicContact CG-CB 4.26Å; C187-W197 HydrophobicContact CB-CE3 3.93Å; C187-W197 HydrophobicContact CB-CH2 4.29Å; C187-W197 HydrophobicContact CB-CZ3 3.79Å
198	Y	93.1	Very high	71.4	Confident	60 Å²	60	96 Å²	96	24%	0.235	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.7	-179.5	-179.1	-104	0	0	0	111.8	A186 I188 S196 G200 A202	A186-Y198 PolarHBondContact N-O 2.93Å; A186-Y198 PolarHBondContact O-N 3.39Å; I188-Y198 VanDerWaalsContact CD1-CB 3.49Å; I188-Y198 HydrophobicContact CD1-CD1 3.54Å; I188-Y198 HydrophobicContact CD1-CD2 4.05Å; I188-Y198 HydrophobicContact CD1-CE1 4.21Å; I188-Y198 HydrophobicContact CD1-CG 3.43Å; I188-Y198 VanDerWaalsContact CD1-CG 3.43Å; I188-Y198 HydrophobicContact CG1-CG 4.14Å; S196-Y198 PolarHBondContact O-N 3.42Å; Y198-G200 VanDerWaalsContact OH-CA 3.3Å; Y198-G200 WeakPolarHBondContact OH-CA 3.47Å; Y198-A202 PolarHBondContact OH-O 3.37Å
199	R	87.4	Confident	68.8	Low	98 Å²	98	101.9 Å²	101.9	37%	0.37	52%	0.518	S	S	.	.			trans	-91	-24.5	177.3	-167.2	171.2	174.1	-176.7	-3	112.7	R141 Y180 Y185 M201	R141-R199 PolarHBondContact NH1-O 2.88Å; Y180-R199 VanDerWaalsContact OH-CZ 3.27Å; Y180-R199 PolarHBondContact OH-NH1 3.49Å; Y180-R199 PolarHBondContact OH-NH2 3.48Å; Y185-R199 HydrophobicContact CD1-CB 3.91Å; Y185-R199 HydrophobicContact CE1-CB 3.69Å; Y185-R199 HydrophobicContact CE1-CG 4.38Å; R199-M201 VanDerWaalsContact C-N 3.31Å; R199-M201 PolarHBondContact O-N 3Å
200	G	70.4	Confident	66	Low	14 Å²	14	103.5 Å²	103.5	14%	0.144	53%	0.53	C	S	.	.	S	Bend	trans	53.5	41.7	-179.8	0	0	0	0	0	115.8	R141 Y198	R141-G200 PolarHBondContact NH2-O 3.12Å; Y198-G200 VanDerWaalsContact OH-CA 3.3Å; Y198-G200 WeakPolarHBondContact OH-CA 3.47Å
201	M	57.6	Low	63.3	Low	153 Å²	153	106.7 Å²	106.7	75%	0.754	56%	0.559	S	S	*	*			trans	-89.1	-24.9	152.7	-81.7	174.5	46.7	0	0	111.9	R199 G203	R199-M201 VanDerWaalsContact C-N 3.31Å; R199-M201 PolarHBondContact O-N 3Å; M201-G203 PolarHBondContact O-N 3.12Å
202	A	47.5	Very low	61	Low	70 Å²	70	105.2 Å²	105.2	58%	0.579	56%	0.564	S	S	*	*	S	Bend	trans	-73.8	118.6	169.1	0	0	0	0	0	108.4	Y198	Y198-A202 PolarHBondContact OH-O 3.37Å
203	G	43.2	Very low	58.3	Low	60 Å²	60	103.7 Å²	103.7	62%	0.619	56%	0.562	S	S	*	*			trans	-48.5	145.9	159	0	0	0	0	0	108.4	M201 D205	M201-G203 PolarHBondContact O-N 3.12Å; G203-D205 PolarHBondContact O-N 3.08Å
204	R	44.2	Very low	56	Low	234 Å²	234	111.4 Å²	111.4	88%	0.883	61%	0.606	S	S	*	*			trans	-67.9	86.9	173.1	-150.2	-178.2	-165.6	166.3	2.1	105.6	K206	R204-K206 PolarHBondContact O-N 3.43Å
205	D	38.8	Very low	54.2	Low	122 Å²	122	111.9 Å²	111.9	65%	0.652	62%	0.617	S	S	*	*			trans	-59.4	118.2	-176.2	-110.9	-21.6	0	0	0	108	G203 T207	G203-D205 PolarHBondContact O-N 3.08Å; D205-T207 PolarHBondContact O-N 3.43Å
206	K	40.3	Very low	52	Low	208 Å²	208	117.2 Å²	117.2	90%	0.904	65%	0.645	S	S	*	*	S	Bend	trans	-80.6	20.6	170	-86.9	-172.5	172.2	-175.1	0	111	R204	R204-K206 PolarHBondContact O-N 3.43Å
207	T	39.2	Very low	49.6	Very low	91 Å²	91	121.6 Å²	121.6	56%	0.558	67%	0.666	S	S	*	*			trans	-144.6	88.9	-173.8	39	0	0	0	0	110.4	D205	D205-T207 PolarHBondContact O-N 3.43Å
208	T	37.4	Very low	46.9	Very low	143 Å²	143	125.6 Å²	125.6	88%	0.877	69%	0.694	S	S	*	*			trans	-148.8	77.7	140.2	10	0	0	0	0	105.8
209	I	40.1	Very low	44	Very low	142 Å²	142	129.7 Å²	129.7	73%	0.728	72%	0.722	S	S	*	*			trans	-59.3	132.3	153.5	-69.3	166.3	0	0	0	106.2
210	N	35.6	Very low	41.1	Very low	140 Å²	140	131.8 Å²	131.8	75%	0.749	75%	0.746	S	S	*	*			trans	39.5	109.9	160.5	-62.8	-9.3	0	0	0	117.9
211	S	29.7	Very low	39	Very low	124 Å²	124	140.2 Å²	140.2	87%	0.867	79%	0.789	S	S	*	*			trans	-161.9	86	130.9	-72.8	0	0	0	0	108.2
212	T	32.9	Very low	37.6	Very low	136 Å²	136	139.2 Å²	139.2	83%	0.834	79%	0.791	S	S	*	*			trans	-64.1	122.8	143.9	31.1	0	0	0	0	108
213	D	24.7	Very low	36.7	Very low	150 Å²	150	145 Å²	145	80%	0.802	81%	0.809	S	S	*	*			trans	42.8	146.3	145.6	-91.1	-3.8	0	0	0	121
214	P	34.9	Very low	36.2	Very low	190 Å²	190	152.7 Å²	152.7	100%	1.234	83%	0.826	S	S	*	*			cis	-119.8	0	41.1	28	-9.2	0	0	0	117.1

Retrieved 214 of 214 residues in 1146.9 ms (Link to these results)

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