A0A087XHB7_POEFO Loading...

Leucine rich repeat and fibronectin type III domain containing 1

AlphaFold DB , UniProt , Accession A0A087XHB7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 755 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	60	Low	187 Å²	187	115.8 Å²	115.8	92%	0.921	61%	0.612	S	S	*	*				0	-32.7	0	-71.6	-66	-95.5	0	0	111.7	R3 L4 V5	M1-R3 PolarHBondContact O-N 3.48Å; M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-V5 PolarHBondContact O-N 3.3Å
2	D	56.4	Low	59.5	Low	121 Å²	121	109.8 Å²	109.8	65%	0.647	59%	0.59	S	S	*	*	H	α-helix	trans	-71.4	-37.1	-153.7	-42.1	-80.7	0	0	0	112.8	L4 V5 V6	D2-L4 PolarHBondContact O-N 2.87Å; D2-V5 PolarHBondContact O-N 2.75Å; D2-V6 WeakPolarHBondContact O-CB 3.46Å; D2-V6 WeakPolarHBondContact O-CG2 3.29Å; D2-V6 PolarHBondContact O-N 3.06Å
3	R	58.9	Low	58.9	Low	228 Å²	228	105.8 Å²	105.8	86%	0.86	58%	0.583	S	S	*	*	H	α-helix	trans	-60.1	-32.4	171.1	-71.4	-170.1	176.8	-164.3	-0.8	112.9	M1 C7	M1-R3 PolarHBondContact O-N 3.48Å; R3-C7 WeakPolarHBondContact O-CB 3.42Å; R3-C7 PolarHBondContact O-N 3.02Å; R3-C7 PolarHBondContact O-SG 3.31Å; R3-C7 VanDerWaalsContact O-SG 3.33Å
4	L	59.6	Low	58	Low	125 Å²	125	107.8 Å²	107.8	65%	0.654	59%	0.591	S	S	*	*	H	α-helix	trans	-78.3	-37.3	179.2	-154.4	150	0	0	0	110.6	M1 D2 C7 V8	M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.13Å; D2-L4 PolarHBondContact O-N 2.87Å; L4-C7 PolarHBondContact O-N 2.98Å; L4-V8 HydrophobicContact CD2-CG2 4.13Å; L4-V8 WeakPolarHBondContact O-CB 3.38Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.36Å; L4-V8 PolarHBondContact O-N 2.81Å
5	V	64.7	Low	57.3	Low	77 Å²	77	106.7 Å²	106.7	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-62.6	-43.2	169.4	178.7	0	0	0	0	111.3	M1 D2 V8 L9	M1-V5 PolarHBondContact O-N 3.3Å; D2-V5 PolarHBondContact O-N 2.75Å; V5-V8 PolarHBondContact O-N 2.84Å; V5-L9 HydrophobicContact CG1-CD1 3.96Å; V5-L9 HydrophobicContact CG1-CG 4.42Å; V5-L9 WeakPolarHBondContact O-CB 3.49Å; V5-L9 VanDerWaalsContact O-CG 3.32Å; V5-L9 WeakPolarHBondContact O-CG 3.32Å; V5-L9 PolarHBondContact O-N 2.79Å
6	V	67.3	Low	56.3	Low	78 Å²	78	110.9 Å²	110.9	47%	0.473	60%	0.599	S	S	.	*	H	α-helix	trans	-64.1	-42.9	175.8	167.9	0	0	0	0	111.4	D2 L9 L10	D2-V6 WeakPolarHBondContact O-CB 3.46Å; D2-V6 WeakPolarHBondContact O-CG2 3.29Å; D2-V6 PolarHBondContact O-N 3.06Å; V6-L9 PolarHBondContact O-N 2.85Å; V6-L10 HydrophobicContact CG1-CD1 4.01Å; V6-L10 WeakPolarHBondContact O-CB 3.41Å; V6-L10 PolarHBondContact O-N 3.47Å
7	C	61.8	Low	55.5	Low	77 Å²	77	108.1 Å²	108.1	52%	0.52	60%	0.602	S	S	.	*	H	α-helix	trans	-63.7	-41.4	172.9	-74.9	0	0	0	0	112.4	R3 L4 L9 L10 C11	R3-C7 WeakPolarHBondContact O-CB 3.42Å; R3-C7 PolarHBondContact O-N 3.02Å; R3-C7 PolarHBondContact O-SG 3.31Å; R3-C7 VanDerWaalsContact O-SG 3.33Å; L4-C7 PolarHBondContact O-N 2.98Å; C7-L9 VanDerWaalsContact C-N 3.34Å; C7-L9 PolarHBondContact O-N 3.48Å; C7-L10 PolarHBondContact O-N 2.95Å; C7-C11 WeakPolarHBondContact O-CB 3.48Å; C7-C11 PolarHBondContact O-N 2.86Å; C7-C11 PolarHBondContact O-SG 3.11Å; C7-C11 VanDerWaalsContact O-SG 3.32Å
8	V	65.4	Low	55.3	Low	89 Å²	89	112.6 Å²	112.6	54%	0.539	61%	0.61	S	S	.	*	H	α-helix	trans	-65.4	-37.3	175.4	168.6	0	0	0	0	111.4	L4 V5 A12	L4-V8 HydrophobicContact CD2-CG2 4.13Å; L4-V8 WeakPolarHBondContact O-CB 3.38Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.36Å; L4-V8 PolarHBondContact O-N 2.81Å; V5-V8 PolarHBondContact O-N 2.84Å; V8-A12 WeakPolarHBondContact O-CB 3.5Å; V8-A12 PolarHBondContact O-N 3.11Å
9	L	60.2	Low	55.5	Low	113 Å²	113	110.3 Å²	110.3	59%	0.592	60%	0.603	S	S	*	*	H	α-helix	trans	-70	-36.7	174.2	-74.4	170.6	0	0	0	112.6	V5 V6 C7 A12 A13	V5-L9 HydrophobicContact CG1-CD1 3.96Å; V5-L9 HydrophobicContact CG1-CG 4.42Å; V5-L9 WeakPolarHBondContact O-CB 3.49Å; V5-L9 VanDerWaalsContact O-CG 3.32Å; V5-L9 WeakPolarHBondContact O-CG 3.32Å; V5-L9 PolarHBondContact O-N 2.79Å; V6-L9 PolarHBondContact O-N 2.85Å; C7-L9 VanDerWaalsContact C-N 3.34Å; C7-L9 PolarHBondContact O-N 3.48Å; L9-A12 PolarHBondContact O-N 3.25Å; L9-A13 VanDerWaalsContact O-CB 3.27Å; L9-A13 WeakPolarHBondContact O-CB 3.35Å; L9-A13 PolarHBondContact O-N 3.44Å
10	L	57.1	Low	56.2	Low	101 Å²	101	108.2 Å²	108.2	53%	0.529	60%	0.597	S	S	.	*	H	α-helix	trans	-68	-44	172.6	-94.6	155.1	0	0	0	111.7	V6 C7 A12 A13 L14	V6-L10 HydrophobicContact CG1-CD1 4.01Å; V6-L10 WeakPolarHBondContact O-CB 3.41Å; V6-L10 PolarHBondContact O-N 3.47Å; C7-L10 PolarHBondContact O-N 2.95Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 3.47Å; L10-A13 PolarHBondContact O-N 2.88Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.43Å
11	C	54.5	Low	57.4	Low	78 Å²	78	105.1 Å²	105.1	53%	0.527	58%	0.583	S	S	.	*	H	α-helix	trans	-62.9	-40	172	-70.7	0	0	0	0	111.4	C7 A13 L14 V15	C7-C11 WeakPolarHBondContact O-CB 3.48Å; C7-C11 PolarHBondContact O-N 2.86Å; C7-C11 PolarHBondContact O-SG 3.11Å; C7-C11 VanDerWaalsContact O-SG 3.32Å; C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 2.8Å; C11-L14 PolarHBondContact O-N 3.11Å; C11-V15 WeakPolarHBondContact O-CB 3.46Å; C11-V15 VanDerWaalsContact O-CG2 3.25Å; C11-V15 WeakPolarHBondContact O-CG2 3.24Å; C11-V15 PolarHBondContact O-N 2.9Å
12	A	53.9	Low	58.9	Low	43 Å²	43	96.7 Å²	96.7	36%	0.355	54%	0.542	S	S	.	.	H	α-helix	trans	-69	-28.3	174.2	0	0	0	0	0	113	V8 L9 L10 K16	V8-A12 WeakPolarHBondContact O-CB 3.5Å; V8-A12 PolarHBondContact O-N 3.11Å; L9-A12 PolarHBondContact O-N 3.25Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 3.47Å; A12-K16 VanDerWaalsContact O-CB 3.25Å; A12-K16 WeakPolarHBondContact O-CB 3.35Å; A12-K16 VanDerWaalsContact O-CG 3.24Å; A12-K16 WeakPolarHBondContact O-CG 3.47Å; A12-K16 PolarHBondContact O-N 3.02Å
13	A	51.4	Low	60	Low	59 Å²	59	95.2 Å²	95.2	49%	0.488	56%	0.555	S	S	.	*	H	α-helix	trans	-73.9	-40.7	172.4	0	0	0	0	0	111.8	L9 L10 C11 K16 G17	L9-A13 VanDerWaalsContact O-CB 3.27Å; L9-A13 WeakPolarHBondContact O-CB 3.35Å; L9-A13 PolarHBondContact O-N 3.44Å; L10-A13 PolarHBondContact O-N 2.88Å; C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 2.8Å; A13-K16 CarbonylContact O-C 3.51Å; A13-K16 WeakPolarHBondContact O-CA 3.4Å; A13-K16 WeakPolarHBondContact O-CB 3.28Å; A13-K16 PolarHBondContact O-N 3.43Å; A13-G17 PolarHBondContact O-N 3.46Å
14	L	46.6	Very low	61.1	Low	133 Å²	133	92.2 Å²	92.2	70%	0.696	54%	0.544	S	S	*	.	H	α-helix	trans	-66.9	-40.3	174	-70.7	166	0	0	0	111.6	L10 C11 K16 G17	L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.43Å; C11-L14 PolarHBondContact O-N 3.11Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-G17 WeakPolarHBondContact O-CA 3.07Å; L14-G17 PolarHBondContact O-N 2.62Å
15	V	47.8	Very low	62.6	Low	91 Å²	91	87 Å²	87	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-68.2	-30.1	170.9	170.6	0	0	0	0	111.5	C11 G17 Y18	C11-V15 WeakPolarHBondContact O-CB 3.46Å; C11-V15 VanDerWaalsContact O-CG2 3.25Å; C11-V15 WeakPolarHBondContact O-CG2 3.24Å; C11-V15 PolarHBondContact O-N 2.9Å; V15-G17 PolarHBondContact O-N 2.83Å; V15-Y18 HydrophobicContact CG1-CD2 4.33Å; V15-Y18 HydrophobicContact CG1-CE2 3.82Å; V15-Y18 WeakPolarHBondContact O-CD2 3.23Å; V15-Y18 PolarHBondContact O-N 2.92Å
16	K	42	Very low	63.8	Low	174 Å²	174	88.7 Å²	88.7	76%	0.757	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-0	167.8	-83.9	174.6	176.1	-179.5	0	114.1	A12 A13 L14 Y18	A12-K16 VanDerWaalsContact O-CB 3.25Å; A12-K16 WeakPolarHBondContact O-CB 3.35Å; A12-K16 VanDerWaalsContact O-CG 3.24Å; A12-K16 WeakPolarHBondContact O-CG 3.47Å; A12-K16 PolarHBondContact O-N 3.02Å; A13-K16 CarbonylContact O-C 3.51Å; A13-K16 WeakPolarHBondContact O-CA 3.4Å; A13-K16 WeakPolarHBondContact O-CB 3.28Å; A13-K16 PolarHBondContact O-N 3.43Å; L14-K16 VanDerWaalsContact C-N 3.32Å; K16-Y18 PolarHBondContact O-N 3.29Å
17	G	42.4	Very low	64.8	Low	64 Å²	64	86.6 Å²	86.6	66%	0.66	51%	0.512	S	S	*	.			trans	-70.1	26.8	157	0	0	0	0	0	114.1	A13 L14 V15 S19	A13-G17 PolarHBondContact O-N 3.46Å; L14-G17 WeakPolarHBondContact O-CA 3.07Å; L14-G17 PolarHBondContact O-N 2.62Å; V15-G17 PolarHBondContact O-N 2.83Å; G17-S19 PolarHBondContact O-N 2.96Å
18	Y	50.9	Low	65.9	Low	188 Å²	188	87.5 Å²	87.5	74%	0.737	51%	0.508	S	S	*	.			trans	-58	124.4	173.6	-100.3	-75	0	0	0	109.7	V15 K16	V15-Y18 HydrophobicContact CG1-CD2 4.33Å; V15-Y18 HydrophobicContact CG1-CE2 3.82Å; V15-Y18 WeakPolarHBondContact O-CD2 3.23Å; V15-Y18 PolarHBondContact O-N 2.92Å; K16-Y18 PolarHBondContact O-N 3.29Å
19	S	60	Low	66.6	Low	70 Å²	70	89.4 Å²	89.4	49%	0.49	51%	0.511	S	S	.	.			trans	-54.7	141.2	174.5	46.7	0	0	0	0	110.8	G17 C21	G17-S19 PolarHBondContact O-N 2.96Å; S19-C21 PolarHBondContact O-N 3.44Å
20	S	69	Low	67.3	Low	67 Å²	67	90.2 Å²	90.2	47%	0.469	52%	0.515	S	S	.	.			trans	-72.9	67.9	-178.9	-55.5	0	0	0	0	111.2	T49	S20-T49 CarbonylContact C-O 3.59Å; S20-T49 VanDerWaalsContact CB-O 3.29Å; S20-T49 WeakPolarHBondContact CB-O 3.36Å
21	C	81.1	Confident	67.7	Low	45 Å²	45	89.9 Å²	89.9	30%	0.304	52%	0.521	S	S	.	.			trans	-94.6	120.4	179.7	-158	0	0	0	0	109.5	S19 G23 C25 C27	S19-C21 PolarHBondContact O-N 3.44Å; C21-G23 PolarHBondContact O-N 3.17Å; C21-C25 PolarHBondContact SG-O 2.78Å; C21-C27 WeakPolarHBondContact CA-SG 3.24Å; C21-C27 HydrophobicContact CB-CB 3.91Å; C21-C27 WeakPolarHBondContact CB-SG 3.41Å; C21-C27 WeakPolarHBondContact SG-CB 3.47Å; C21-C27 PolarHBondContact SG-N 2.92Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 3.43Å
22	P	85.9	Confident	68.4	Low	10 Å²	10	92.3 Å²	92.3	7%	0.065	54%	0.536	C	S	.	.			trans	-61.5	131.8	173	-15.9	27.5	0	0	0	109.8	R24 C25 P47 I50	P22-R24 PolarHBondContact O-N 2.91Å; P22-C25 HydrophobicContact CB-CB 4.44Å; P22-C25 WeakPolarHBondContact O-CB 3.44Å; P22-C25 PolarHBondContact O-N 2.83Å; P22-P47 HydrophobicContact CB-CB 3.8Å; P22-P47 HydrophobicContact CB-CG 4.18Å; P22-P47 HydrophobicContact CG-CB 3.67Å; P22-P47 HydrophobicContact CG-CG 4.17Å; P22-I50 HydrophobicContact CG-CG1 4.1Å
23	G	79.4	Confident	69.6	Low	90 Å²	90	93.1 Å²	93.1	93%	0.928	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	8.5	-169.6	0	0	0	0	0	117.9	C21	C21-G23 PolarHBondContact O-N 3.17Å
24	R	83	Confident	71.2	Confident	165 Å²	165	91 Å²	91	62%	0.623	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-5.4	167.2	-66.7	-168.6	179.6	-174.6	2.6	113.4	P22 T41	P22-R24 PolarHBondContact O-N 2.91Å; R24-T41 HydrophobicContact CB-CG2 4.34Å; R24-T41 WeakPolarHBondContact CD-O 3.45Å; R24-T41 PolarHBondContact NH1-O 2.81Å; R24-T41 WeakPolarHBondContact O-CG2 3.4Å
25	C	89.4	Confident	73.3	Confident	16 Å²	16	85.4 Å²	85.4	11%	0.108	49%	0.488	C	S	.	.	S	Bend	trans	-108.3	157.7	-173	-53	0	0	0	0	111.3	C21 P22 L36 L37 C38	C21-C25 PolarHBondContact SG-O 2.78Å; P22-C25 HydrophobicContact CB-CB 4.44Å; P22-C25 WeakPolarHBondContact O-CB 3.44Å; P22-C25 PolarHBondContact O-N 2.83Å; C25-L36 HydrophobicContact CB-CD2 4.08Å; C25-L37 CarbonylContact C-O 3.24Å; C25-L37 VanDerWaalsContact CA-O 3.29Å; C25-L37 WeakPolarHBondContact CA-O 3.41Å; C25-L37 WeakPolarHBondContact CB-O 3.3Å; C25-C38 HydrophobicContact CB-CB 4.04Å; C25-C38 WeakPolarHBondContact CB-SG 3.31Å; C25-C38 WeakPolarHBondContact SG-CB 3.47Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 2.88Å
26	I	89.8	Confident	75.4	Confident	111 Å²	111	81.1 Å²	81.1	57%	0.569	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	122.4	174.7	-58.7	170.4	0	0	0	107.5	Q28 L37	I26-Q28 HydrophobicContact CG2-CG 4.31Å; I26-L37 HydrophobicContact CB-CB 4.39Å; I26-L37 PolarHBondContact N-O 2.87Å; I26-L37 PolarHBondContact O-N 3.41Å
27	C	88.3	Confident	77.8	Confident	35 Å²	35	74.8 Å²	74.8	24%	0.236	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.2	176.6	-57.7	0	0	0	0	109.9	C21	C21-C27 WeakPolarHBondContact CA-SG 3.24Å; C21-C27 HydrophobicContact CB-CB 3.91Å; C21-C27 WeakPolarHBondContact CB-SG 3.41Å; C21-C27 WeakPolarHBondContact SG-CB 3.47Å; C21-C27 PolarHBondContact SG-N 2.92Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 3.43Å
28	Q	85.9	Confident	80.3	Confident	96 Å²	96	71.8 Å²	71.8	45%	0.449	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.4	179.5	-65.8	-178.8	-14.3	0	0	109.4	I26 T35	I26-Q28 HydrophobicContact CG2-CG 4.31Å; Q28-T35 PolarHBondContact N-O 2.83Å; Q28-T35 PolarHBondContact O-N 3.45Å
29	H	80.1	Confident	82.3	Confident	129 Å²	129	65.1 Å²	65.1	60%	0.597	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	67.1	-178.4	-167.6	-62.8	0	0	0	110.5	S31	H29-S31 PolarHBondContact CE1-OG 3.33Å; H29-S31 PolarHBondContact ND1-OG 3.01Å; H29-S31 PolarHBondContact O-N 2.65Å
30	L	74.6	Confident	83.9	Confident	129 Å²	129	69.6 Å²	69.6	68%	0.675	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	88	171	-101.8	67.6	0	0	0	108.3	T33	L30-T33 CarbonylContact C-O 3.56Å; L30-T33 PolarHBondContact N-O 2.88Å; L30-T33 PolarHBondContact O-N 3.26Å; L30-T33 VanDerWaalsContact O-O 3.11Å; L30-T33 PolarHBondContact O-OG1 2.77Å; L30-T33 VanDerWaalsContact O-OG1 3.04Å
31	S	65.8	Low	85	Confident	95 Å²	95	67.8 Å²	67.8	66%	0.664	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	123	-179.1	-59.1	0	0	0	0	111.5	H29	H29-S31 PolarHBondContact CE1-OG 3.33Å; H29-S31 PolarHBondContact ND1-OG 3.01Å; H29-S31 PolarHBondContact O-N 2.65Å
32	P	68.8	Low	85.6	Confident	129 Å²	129	67 Å²	67	84%	0.838	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.3	-2.8	15	37.2	-37.1	0	0	0	116.5
33	T	79.4	Confident	86	Confident	59 Å²	59	67.4 Å²	67.4	36%	0.362	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.9	-174	48.6	0	0	0	0	113.4	L30 V55	L30-T33 CarbonylContact C-O 3.56Å; L30-T33 PolarHBondContact N-O 2.88Å; L30-T33 PolarHBondContact O-N 3.26Å; L30-T33 VanDerWaalsContact O-O 3.11Å; L30-T33 PolarHBondContact O-OG1 2.77Å; L30-T33 VanDerWaalsContact O-OG1 3.04Å; T33-V55 HydrophobicContact CG2-CG1 4.2Å
34	L	85	Confident	86.7	Confident	16 Å²	16	68.7 Å²	68.7	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.3	165.8	177.2	59.1	0	0	0	109.1	D51 K53 V55 E56	L34-D51 HydrophobicContact CD2-CB 3.94Å; L34-K53 HydrophobicContact CD2-CB 4.42Å; L34-V55 PolarHBondContact O-N 2.78Å; L34-E56 PolarHBondContact O-N 3.12Å
35	T	90.1	Very high	87.3	Confident	15 Å²	15	65.7 Å²	65.7	9%	0.092	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.8	178.6	-68.4	0	0	0	0	109.8	Q28 L37 E56	Q28-T35 PolarHBondContact N-O 2.83Å; Q28-T35 PolarHBondContact O-N 3.45Å; T35-L37 HydrophobicContact CG2-CD2 3.66Å; T35-L37 HydrophobicContact CG2-CG 3.97Å; T35-E56 WeakPolarHBondContact CA-O 3.38Å; T35-E56 HydrophobicContact CG2-CB 4.16Å; T35-E56 HydrophobicContact CG2-CG 4.02Å; T35-E56 WeakPolarHBondContact CG2-OE2 3.45Å; T35-E56 PolarHBondContact OG1-OE2 2.93Å
36	L	92.3	Very high	87.6	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.4	-176.6	-162.7	150.9	0	0	0	110.6	C25 C38 I50 T54 E56 L57 R58	C25-L36 HydrophobicContact CB-CD2 4.08Å; L36-C38 WeakPolarHBondContact CD2-SG 3.16Å; L36-I50 HydrophobicContact CD1-CG1 4.39Å; L36-I50 HydrophobicContact CD1-CG2 4.34Å; L36-T54 HydrophobicContact CB-CG2 3.8Å; L36-E56 PolarHBondContact N-O 3.45Å; L36-L57 HydrophobicContact CB-CD1 4.1Å; L36-L57 HydrophobicContact CD2-CD1 3.58Å; L36-L57 HydrophobicContact CG-CD1 4.37Å; L36-R58 PolarHBondContact O-N 2.91Å
37	L	92.9	Very high	87.7	Confident	41 Å²	41	60 Å²	60	22%	0.215	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.8	-170	-54	175.7	0	0	0	110.5	C25 I26 T35 R58	C25-L37 CarbonylContact C-O 3.24Å; C25-L37 VanDerWaalsContact CA-O 3.29Å; C25-L37 WeakPolarHBondContact CA-O 3.41Å; C25-L37 WeakPolarHBondContact CB-O 3.3Å; I26-L37 HydrophobicContact CB-CB 4.39Å; I26-L37 PolarHBondContact N-O 2.87Å; I26-L37 PolarHBondContact O-N 3.41Å; T35-L37 HydrophobicContact CG2-CD2 3.66Å; T35-L37 HydrophobicContact CG2-CG 3.97Å; L37-R58 HydrophobicContact CD2-CB 3.9Å; L37-R58 HydrophobicContact CD2-CG 3.81Å
38	C	93.7	Very high	87.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.349	C	S	.	.			trans	-120.5	26.7	176.1	-51.1	0	0	0	0	112.5	C25 L36 K40 T41 L43 R58 L59 N62	C25-C38 HydrophobicContact CB-CB 4.04Å; C25-C38 WeakPolarHBondContact CB-SG 3.31Å; C25-C38 WeakPolarHBondContact SG-CB 3.47Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 2.88Å; L36-C38 WeakPolarHBondContact CD2-SG 3.16Å; C38-K40 PolarHBondContact O-N 2.91Å; C38-T41 HydrophobicContact CB-CG2 4.41Å; C38-T41 VanDerWaalsContact O-CG2 3.32Å; C38-T41 WeakPolarHBondContact O-CG2 3.35Å; C38-T41 PolarHBondContact O-OG1 3.12Å; C38-L43 HydrophobicContact CB-CD1 3.67Å; C38-R58 PolarHBondContact N-O 3.23Å; C38-L59 HydrophobicContact CB-CD2 3.62Å; C38-L59 VanDerWaalsContact SG-CD2 3.55Å; C38-N62 PolarHBondContact O-ND2 2.9Å
39	A	92.8	Very high	87.9	Confident	49 Å²	49	61.4 Å²	61.4	41%	0.405	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	134.4	-176.2	0	0	0	0	0	112	T41 T60	A39-T41 VanDerWaalsContact C-N 3.34Å; A39-T41 PolarHBondContact O-N 2.81Å; A39-T60 VanDerWaalsContact CA-O 3.29Å; A39-T60 WeakPolarHBondContact CA-O 3.29Å
40	K	94.1	Very high	88.3	Confident	163 Å²	163	55.5 Å²	55.5	71%	0.709	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	33.5	177.5	-59	-178.1	179.5	-177.2	0	115	C38 T60 D61	C38-K40 PolarHBondContact O-N 2.91Å; K40-T60 PolarHBondContact N-O 2.92Å; K40-T60 VanDerWaalsContact N-O 3.13Å; K40-D61 VanDerWaalsContact CA-O 3.32Å; K40-D61 WeakPolarHBondContact CA-O 3.41Å; K40-D61 HydrophobicContact CB-CB 4.46Å; K40-D61 HydrophobicContact CD-CB 4.34Å; K40-D61 HydrophobicContact CG-CB 3.4Å; K40-D61 VanDerWaalsContact CG-CB 3.4Å; K40-D61 PolarHBondContact N-O 3.32Å
41	T	92.9	Very high	89	Confident	29 Å²	29	51.3 Å²	51.3	18%	0.178	30%	0.3	C	S	.	.	S	Bend	trans	-100.4	2.2	-175	58.2	0	0	0	0	114.8	R24 C38 A39 L43 N62	R24-T41 HydrophobicContact CB-CG2 4.34Å; R24-T41 WeakPolarHBondContact CD-O 3.45Å; R24-T41 PolarHBondContact NH1-O 2.81Å; R24-T41 WeakPolarHBondContact O-CG2 3.4Å; C38-T41 HydrophobicContact CB-CG2 4.41Å; C38-T41 VanDerWaalsContact O-CG2 3.32Å; C38-T41 WeakPolarHBondContact O-CG2 3.35Å; C38-T41 PolarHBondContact O-OG1 3.12Å; A39-T41 VanDerWaalsContact C-N 3.34Å; A39-T41 PolarHBondContact O-N 2.81Å; T41-L43 WeakPolarHBondContact OG1-CD1 3.46Å; T41-L43 WeakPolarHBondContact OG1-CG 3.32Å; T41-N62 PolarHBondContact N-OD1 2.85Å; T41-N62 VanDerWaalsContact N-OD1 3.14Å; T41-N62 PolarHBondContact OG1-OD1 2.96Å
42	G	93.8	Very high	90.2	Very high	28 Å²	28	50.1 Å²	50.1	29%	0.289	28%	0.282	S	S	.	.			trans	67.9	34.4	177.9	0	0	0	0	0	113.4	N62	G42-N62 PolarHBondContact N-OD1 3.33Å
43	L	94.5	Very high	91.1	Very high	20 Å²	20	51.2 Å²	51.2	11%	0.105	27%	0.273	C	S	.	.			trans	-74.6	125.4	179.6	-71	168.9	0	0	0	111.5	C38 T41 P47 L59 N62 F63 I64	C38-L43 HydrophobicContact CB-CD1 3.67Å; T41-L43 WeakPolarHBondContact OG1-CD1 3.46Å; T41-L43 WeakPolarHBondContact OG1-CG 3.32Å; L43-P47 HydrophobicContact CD1-CG 3.8Å; L43-P47 HydrophobicContact CD2-CG 3.88Å; L43-L59 HydrophobicContact CD1-CD2 4.39Å; L43-N62 HydrophobicContact CB-CB 4.19Å; L43-N62 PolarHBondContact N-OD1 2.92Å; L43-F63 CarbonylContact O-C 3.53Å; L43-F63 WeakPolarHBondContact O-CA 3.39Å; L43-F63 PolarHBondContact O-N 2.85Å; L43-I64 HydrophobicContact CB-CG1 4.4Å; L43-I64 PolarHBondContact O-N 2.86Å
44	L	94.6	Very high	91.7	Very high	117 Å²	117	48.4 Å²	48.4	61%	0.613	26%	0.256	S	S	*	.	S	Bend	trans	-84.8	-14.9	172.4	-59.1	174.5	0	0	0	112.8	F63	L44-F63 HydrophobicContact CD2-CB 4.05Å
45	F	95.1	Very high	92.1	Very high	101 Å²	101	49.2 Å²	49.2	44%	0.443	26%	0.261	S	S	.	.	S	Bend	trans	-156.8	157.8	-178	52.5	-98.7	0	0	0	110.7	P47	F45-P47 WeakPolarHBondContact O-CD 3.24Å
46	V	95.1	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.			trans	-60.8	124.9	173.3	-176.8	0	0	0	0	109.8	I50 L59 I64 R68 D71 F72	V46-I50 HydrophobicContact CG1-CD1 3.75Å; V46-L59 HydrophobicContact CG1-CD1 4.05Å; V46-L59 HydrophobicContact CG2-CD1 4.15Å; V46-I64 HydrophobicContact CG2-CD1 4.13Å; V46-I64 HydrophobicContact CG2-CG2 4.41Å; V46-R68 PolarHBondContact O-NH2 2.88Å; V46-D71 HydrophobicContact CB-CB 3.84Å; V46-D71 HydrophobicContact CG1-CB 3.97Å; V46-D71 HydrophobicContact CG2-CB 4.12Å; V46-F72 HydrophobicContact CG1-CE1 3.91Å; V46-F72 HydrophobicContact CG1-CZ 4.3Å; V46-F72 HydrophobicContact CG2-CE1 4.34Å; V46-F72 HydrophobicContact CG2-CZ 3.89Å
47	P	92.6	Very high	92.5	Very high	7 Å²	7	49.9 Å²	49.9	5%	0.045	26%	0.264	C	S	.	.			trans	-59.5	130.4	-179.6	-25.8	33.4	0	0	0	112.6	P22 L43 F45 T49 I50	P22-P47 HydrophobicContact CB-CB 3.8Å; P22-P47 HydrophobicContact CB-CG 4.18Å; P22-P47 HydrophobicContact CG-CB 3.67Å; P22-P47 HydrophobicContact CG-CG 4.17Å; L43-P47 HydrophobicContact CD1-CG 3.8Å; L43-P47 HydrophobicContact CD2-CG 3.88Å; F45-P47 WeakPolarHBondContact O-CD 3.24Å; P47-T49 VanDerWaalsContact C-N 3.26Å; P47-T49 PolarHBondContact O-N 3.31Å; P47-I50 HydrophobicContact CB-CD1 4.39Å; P47-I50 HydrophobicContact CB-CG1 4.27Å; P47-I50 WeakPolarHBondContact O-CD1 3.32Å; P47-I50 WeakPolarHBondContact O-CG1 3.29Å
48	P	88.4	Confident	92.6	Very high	86 Å²	86	53.4 Å²	53.4	56%	0.558	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.3	-178.1	28.1	-34.4	0	0	0	113	I50 R52	P48-I50 VanDerWaalsContact C-N 3.27Å; P48-I50 PolarHBondContact O-N 3.46Å; P48-R52 PolarHBondContact O-NH2 3.38Å
49	T	88.4	Confident	92.7	Very high	76 Å²	76	53.4 Å²	53.4	47%	0.466	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	10.4	-173.6	58.1	0	0	0	0	114.6	S20 P47 D51	S20-T49 CarbonylContact C-O 3.59Å; S20-T49 VanDerWaalsContact CB-O 3.29Å; S20-T49 WeakPolarHBondContact CB-O 3.36Å; P47-T49 VanDerWaalsContact C-N 3.26Å; P47-T49 PolarHBondContact O-N 3.31Å; T49-D51 PolarHBondContact O-N 3.46Å
50	I	89.8	Confident	92.9	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.259	C	S	.	.			trans	-63.4	131.7	178.7	-70.5	168	0	0	0	111.3	P22 L36 V46 P47 P48 R52 L57 M75	P22-I50 HydrophobicContact CG-CG1 4.1Å; L36-I50 HydrophobicContact CD1-CG1 4.39Å; L36-I50 HydrophobicContact CD1-CG2 4.34Å; V46-I50 HydrophobicContact CG1-CD1 3.75Å; P47-I50 HydrophobicContact CB-CD1 4.39Å; P47-I50 HydrophobicContact CB-CG1 4.27Å; P47-I50 WeakPolarHBondContact O-CD1 3.32Å; P47-I50 WeakPolarHBondContact O-CG1 3.29Å; P48-I50 VanDerWaalsContact C-N 3.27Å; P48-I50 PolarHBondContact O-N 3.46Å; I50-R52 PolarHBondContact O-NE 3.09Å; I50-R52 VanDerWaalsContact O-NE 3.16Å; I50-L57 HydrophobicContact CD1-CD1 4.13Å; I50-L57 HydrophobicContact CD1-CD2 4.01Å; I50-M75 HydrophobicContact CG2-CE 3.57Å; I50-M75 HydrophobicContact CG2-SD 4.05Å
51	D	88.8	Confident	93.1	Very high	40 Å²	40	46 Å²	46	21%	0.214	24%	0.236	C	C	.	.			trans	-63.2	130.8	170.6	-166.6	-28.7	0	0	0	110.9	L34 T49 K53 T54	L34-D51 HydrophobicContact CD2-CB 3.94Å; T49-D51 PolarHBondContact O-N 3.46Å; D51-K53 PolarHBondContact O-N 2.83Å; D51-K53 WeakPolarHBondContact OD1-CB 3.35Å; D51-K53 PolarHBondContact OD1-N 2.98Å; D51-T54 WeakPolarHBondContact O-CB 3.31Å; D51-T54 PolarHBondContact O-N 2.92Å; D51-T54 PolarHBondContact O-OG1 3.32Å
52	R	90.3	Very high	93.3	Very high	71 Å²	71	44.8 Å²	44.8	27%	0.268	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.1	-177.1	-51.1	-60.2	160.3	163.4	-18.6	113.6	P48 I50 T54 D71 L73 M75	P48-R52 PolarHBondContact O-NH2 3.38Å; I50-R52 PolarHBondContact O-NE 3.09Å; I50-R52 VanDerWaalsContact O-NE 3.16Å; R52-T54 VanDerWaalsContact C-N 3.34Å; R52-D71 PolarHBondContact NH1-O 3.28Å; R52-D71 PolarHBondContact NH2-O 3.31Å; R52-L73 WeakPolarHBondContact CD-O 3.49Å; R52-L73 PolarHBondContact NH1-O 2.94Å; R52-M75 HydrophobicContact CB-CG 4.47Å
53	K	89.1	Confident	93.4	Very high	152 Å²	152	49.1 Å²	49.1	66%	0.661	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.6	169.6	-60.5	176.9	-178.6	176.1	0	113.9	L34 D51 V55	L34-K53 HydrophobicContact CD2-CB 4.42Å; D51-K53 PolarHBondContact O-N 2.83Å; D51-K53 WeakPolarHBondContact OD1-CB 3.35Å; D51-K53 PolarHBondContact OD1-N 2.98Å; K53-V55 PolarHBondContact O-N 3.35Å
54	T	91.2	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.			trans	-56.6	127.5	178.9	-58.5	0	0	0	0	110.6	L36 D51 R52 E56 L57 M75 L78	L36-T54 HydrophobicContact CB-CG2 3.8Å; D51-T54 WeakPolarHBondContact O-CB 3.31Å; D51-T54 PolarHBondContact O-N 2.92Å; D51-T54 PolarHBondContact O-OG1 3.32Å; R52-T54 VanDerWaalsContact C-N 3.34Å; T54-E56 WeakPolarHBondContact CG2-O 3.2Å; T54-L57 HydrophobicContact CG2-CB 4.17Å; T54-M75 HydrophobicContact CG2-CE 4.49Å; T54-L78 HydrophobicContact CG2-CD1 4.22Å; T54-L78 WeakPolarHBondContact O-CA 3.31Å; T54-L78 WeakPolarHBondContact O-CD1 3.3Å; T54-L78 PolarHBondContact O-N 2.99Å
55	V	94	Very high	93.7	Very high	33 Å²	33	45.7 Å²	45.7	20%	0.2	22%	0.224	C	C	.	.	S	Bend	trans	-93.2	-32	-179.8	-178.8	0	0	0	0	111.3	T33 L34 K53 V79 H80	T33-V55 HydrophobicContact CG2-CG1 4.2Å; L34-V55 PolarHBondContact O-N 2.78Å; K53-V55 PolarHBondContact O-N 3.35Å; V55-V79 HydrophobicContact CG1-CB 4.19Å; V55-V79 HydrophobicContact CG1-CG2 3.91Å; V55-V79 PolarHBondContact O-N 3.11Å; V55-H80 PolarHBondContact O-N 3.49Å
56	E	94.5	Very high	93.8	Very high	30 Å²	30	44 Å²	44	14%	0.14	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.9	177.7	173.6	176.9	-144.4	0	0	110.5	L34 T35 L36 T54 R58 H80	L34-E56 PolarHBondContact O-N 3.12Å; T35-E56 WeakPolarHBondContact CA-O 3.38Å; T35-E56 HydrophobicContact CG2-CB 4.16Å; T35-E56 HydrophobicContact CG2-CG 4.02Å; T35-E56 WeakPolarHBondContact CG2-OE2 3.45Å; T35-E56 PolarHBondContact OG1-OE2 2.93Å; L36-E56 PolarHBondContact N-O 3.45Å; T54-E56 WeakPolarHBondContact CG2-O 3.2Å; E56-R58 HydrophobicContact CG-CG 4.22Å; E56-R58 IonicContact OE1-CZ 3.75Å; E56-R58 IonicContact OE1-NE 3.9Å; E56-R58 PolarHBondContact OE1-NE 3.36Å; E56-R58 IonicContact OE1-NH2 2.68Å; E56-R58 PolarHBondContact OE1-NH2 3.46Å; E56-R58 IonicContact OE2-NH2 2.71Å; E56-H80 WeakPolarHBondContact CA-O 3.37Å; E56-H80 HydrophobicContact CB-CB 4.48Å; E56-H80 HydrophobicContact CG-CB 4.2Å
57	L	95.4	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	109.8	-177.7	177.8	55.6	0	0	0	110.8	L36 I50 T54 L59 F72 M75 L78 H80 L81 T82	L36-L57 HydrophobicContact CB-CD1 4.1Å; L36-L57 HydrophobicContact CD2-CD1 3.58Å; L36-L57 HydrophobicContact CG-CD1 4.37Å; I50-L57 HydrophobicContact CD1-CD1 4.13Å; I50-L57 HydrophobicContact CD1-CD2 4.01Å; T54-L57 HydrophobicContact CG2-CB 4.17Å; L57-L59 HydrophobicContact CD1-CD1 4.4Å; L57-L59 HydrophobicContact CD1-CD2 3.81Å; L57-L59 HydrophobicContact CD1-CG 3.96Å; L57-L59 HydrophobicContact CD2-CD1 4.24Å; L57-L59 HydrophobicContact CG-CD1 4.21Å; L57-L59 HydrophobicContact CG-CD2 4.42Å; L57-L59 HydrophobicContact CG-CG 4.02Å; L57-F72 HydrophobicContact CD2-CD1 4.16Å; L57-F72 HydrophobicContact CD2-CE1 3.75Å; L57-M75 HydrophobicContact CD2-CE 4.14Å; L57-L78 HydrophobicContact CB-CD1 3.69Å; L57-H80 PolarHBondContact N-O 2.9Å; L57-L81 HydrophobicContact CB-CD1 4.07Å; L57-L81 HydrophobicContact CD2-CD1 3.91Å; L57-L81 HydrophobicContact CG-CD1 3.94Å; L57-T82 PolarHBondContact O-N 3.46Å
58	R	96.2	Very high	94.1	Very high	115 Å²	115	47 Å²	47	43%	0.434	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.3	178	-53.3	-166.2	-168.5	173.6	3.4	111.1	L36 L37 C38 E56	L36-R58 PolarHBondContact O-N 2.91Å; L37-R58 HydrophobicContact CD2-CB 3.9Å; L37-R58 HydrophobicContact CD2-CG 3.81Å; C38-R58 PolarHBondContact N-O 3.23Å; E56-R58 HydrophobicContact CG-CG 4.22Å; E56-R58 IonicContact OE1-CZ 3.75Å; E56-R58 IonicContact OE1-NE 3.9Å; E56-R58 PolarHBondContact OE1-NE 3.36Å; E56-R58 IonicContact OE1-NH2 2.68Å; E56-R58 PolarHBondContact OE1-NH2 3.46Å; E56-R58 IonicContact OE2-NH2 2.71Å
59	L	96.2	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.224	C	C	.	.			trans	-115	26.9	-178.6	-60.8	179.3	0	0	0	112.1	C38 L43 V46 L57 N62 I64 F72 T82 L83 N86	C38-L59 HydrophobicContact CB-CD2 3.62Å; C38-L59 VanDerWaalsContact SG-CD2 3.55Å; L43-L59 HydrophobicContact CD1-CD2 4.39Å; V46-L59 HydrophobicContact CG1-CD1 4.05Å; V46-L59 HydrophobicContact CG2-CD1 4.15Å; L57-L59 HydrophobicContact CD1-CD1 4.4Å; L57-L59 HydrophobicContact CD1-CD2 3.81Å; L57-L59 HydrophobicContact CD1-CG 3.96Å; L57-L59 HydrophobicContact CD2-CD1 4.24Å; L57-L59 HydrophobicContact CG-CD1 4.21Å; L57-L59 HydrophobicContact CG-CD2 4.42Å; L57-L59 HydrophobicContact CG-CG 4.02Å; L59-N62 PolarHBondContact O-ND2 2.87Å; L59-I64 HydrophobicContact CB-CD1 4.32Å; L59-I64 HydrophobicContact CD1-CD1 4.28Å; L59-F72 HydrophobicContact CD1-CE1 4.36Å; L59-F72 HydrophobicContact CD1-CZ 4.44Å; L59-T82 PolarHBondContact N-O 2.9Å; L59-L83 HydrophobicContact CB-CD2 4.14Å; L59-L83 HydrophobicContact CD1-CD2 3.92Å; L59-N86 PolarHBondContact O-ND2 3.04Å
60	T	96.5	Very high	94.5	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.086	23%	0.23	C	C	.	.			trans	-69.1	159.1	-170.6	71.9	0	0	0	0	113.9	A39 K40 N62 T82 S84	A39-T60 VanDerWaalsContact CA-O 3.29Å; A39-T60 WeakPolarHBondContact CA-O 3.29Å; K40-T60 PolarHBondContact N-O 2.92Å; K40-T60 VanDerWaalsContact N-O 3.13Å; T60-N62 PolarHBondContact O-N 3.46Å; T60-N62 PolarHBondContact O-ND2 3.48Å; T60-T82 HydrophobicContact CG2-CG2 3.39Å; T60-S84 WeakPolarHBondContact CA-O 3.26Å; T60-S84 WeakPolarHBondContact CB-O 3.48Å
61	D	97.2	Very high	94.8	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	23%	0.23	C	C	.	.	S	Bend	trans	57.5	48.9	172	-49.3	-97.8	0	0	0	111.9	K40 S84 R85	K40-D61 VanDerWaalsContact CA-O 3.32Å; K40-D61 WeakPolarHBondContact CA-O 3.41Å; K40-D61 HydrophobicContact CB-CB 4.46Å; K40-D61 HydrophobicContact CD-CB 4.34Å; K40-D61 HydrophobicContact CG-CB 3.4Å; K40-D61 VanDerWaalsContact CG-CB 3.4Å; K40-D61 PolarHBondContact N-O 3.32Å; D61-S84 PolarHBondContact N-O 2.7Å; D61-S84 VanDerWaalsContact N-O 3.12Å; D61-R85 WeakPolarHBondContact CA-O 3.23Å; D61-R85 PolarHBondContact N-O 2.98Å; D61-R85 VanDerWaalsContact N-O 3.14Å; D61-R85 IonicContact OD1-CZ 2.72Å; D61-R85 IonicContact OD1-NE 3.44Å; D61-R85 PolarHBondContact OD1-NE 3.3Å; D61-R85 IonicContact OD1-NH2 2.79Å; D61-R85 PolarHBondContact OD1-NH2 2.92Å; D61-R85 IonicContact OD2-CZ 2.73Å; D61-R85 IonicContact OD2-NE 3.14Å; D61-R85 IonicContact OD2-NH2 2.71Å; D61-R85 PolarHBondContact OD2-NH2 3.42Å
62	N	97.2	Very high	95.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-128.3	-171.7	-179.1	-78.6	-63.8	0	0	0	110.3	C38 T41 G42 L43 L59 T60 I64 R85 N86	C38-N62 PolarHBondContact O-ND2 2.9Å; T41-N62 PolarHBondContact N-OD1 2.85Å; T41-N62 VanDerWaalsContact N-OD1 3.14Å; T41-N62 PolarHBondContact OG1-OD1 2.96Å; G42-N62 PolarHBondContact N-OD1 3.33Å; L43-N62 HydrophobicContact CB-CB 4.19Å; L43-N62 PolarHBondContact N-OD1 2.92Å; L59-N62 PolarHBondContact O-ND2 2.87Å; T60-N62 PolarHBondContact O-N 3.46Å; T60-N62 PolarHBondContact O-ND2 3.48Å; N62-I64 HydrophobicContact CB-CG1 4.4Å; N62-R85 PolarHBondContact N-O 3.47Å; N62-N86 WeakPolarHBondContact CA-OD1 3.28Å; N62-N86 WeakPolarHBondContact CB-OD1 3.01Å; N62-N86 WeakPolarHBondContact O-CA 3.45Å; N62-N86 PolarHBondContact O-OD1 3.31Å
63	F	97.5	Very high	95.1	Very high	119 Å²	119	48.9 Å²	48.9	52%	0.522	23%	0.225	S	C	.	.			trans	-122.1	34.3	-175.1	-54.1	-62.3	0	0	0	111.6	L43 L44 T65 N86 T87	L43-F63 CarbonylContact O-C 3.53Å; L43-F63 WeakPolarHBondContact O-CA 3.39Å; L43-F63 PolarHBondContact O-N 2.85Å; L44-F63 HydrophobicContact CD2-CB 4.05Å; F63-T65 PolarHBondContact O-N 2.88Å; F63-N86 PolarHBondContact N-OD1 2.88Å; F63-T87 VanDerWaalsContact C-OG1 3.23Å; F63-T87 PolarHBondContact O-OG1 2.96Å
64	I	97.6	Very high	95.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.			trans	-70.7	128.3	177.6	-57.4	174.9	0	0	0	108.5	L43 V46 L59 N62 L83 N86 T87 I88	L43-I64 HydrophobicContact CB-CG1 4.4Å; L43-I64 PolarHBondContact O-N 2.86Å; V46-I64 HydrophobicContact CG2-CD1 4.13Å; V46-I64 HydrophobicContact CG2-CG2 4.41Å; L59-I64 HydrophobicContact CB-CD1 4.32Å; L59-I64 HydrophobicContact CD1-CD1 4.28Å; N62-I64 HydrophobicContact CB-CG1 4.4Å; I64-L83 HydrophobicContact CD1-CD2 4.49Å; I64-N86 WeakPolarHBondContact CB-OD1 3.38Å; I64-N86 WeakPolarHBondContact CG1-OD1 3.49Å; I64-N86 PolarHBondContact N-OD1 2.87Å; I64-N86 VanDerWaalsContact N-OD1 3.07Å; I64-T87 CarbonylContact O-C 3.18Å; I64-T87 WeakPolarHBondContact O-CA 3.48Å; I64-T87 PolarHBondContact O-N 3.46Å; I64-T87 VanDerWaalsContact O-N 3.11Å; I64-T87 PolarHBondContact O-OG1 3.1Å; I64-I88 HydrophobicContact CB-CG1 4.29Å; I64-I88 HydrophobicContact CG2-CD1 4.47Å; I64-I88 HydrophobicContact CG2-CG1 4.16Å; I64-I88 WeakPolarHBondContact O-CA 3.41Å; I64-I88 WeakPolarHBondContact O-CG1 3.35Å; I64-I88 PolarHBondContact O-N 2.81Å
65	T	96.9	Very high	95.3	Very high	65 Å²	65	46.9 Å²	46.9	40%	0.399	22%	0.222	S	C	.	.			trans	-106.1	-30.2	-176.4	51.3	0	0	0	0	114.5	F63 T87 I88 S89	F63-T65 PolarHBondContact O-N 2.88Å; T65-T87 WeakPolarHBondContact CG2-OG1 3.22Å; T65-I88 WeakPolarHBondContact O-CA 3.43Å; T65-S89 PolarHBondContact O-N 3.34Å
66	I	97.2	Very high	95.2	Very high	64 Å²	64	48.9 Å²	48.9	33%	0.328	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130	-175	-53.8	-179.9	0	0	0	109.7	R68 Q90 V92	I66-R68 HydrophobicContact CG2-CG 4.26Å; I66-Q90 WeakPolarHBondContact CA-O 3.29Å; I66-Q90 HydrophobicContact CG1-CB 4.34Å; I66-Q90 HydrophobicContact CG2-CB 4.3Å; I66-V92 HydrophobicContact CG2-CG2 4.15Å
67	I	97.3	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.5	168.1	-54.9	178.1	0	0	0	109.1	F72 L83 I88 Q90 I91 V92 A95 F96 M107	I67-F72 HydrophobicContact CD1-CE2 4.43Å; I67-F72 HydrophobicContact CG2-CD2 3.85Å; I67-F72 HydrophobicContact CG2-CE2 3.51Å; I67-L83 HydrophobicContact CD1-CD1 3.76Å; I67-I88 HydrophobicContact CD1-CD1 4.19Å; I67-I88 HydrophobicContact CD1-CG2 4.31Å; I67-I88 HydrophobicContact CG1-CD1 4.2Å; I67-I88 HydrophobicContact CG1-CG2 4.06Å; I67-Q90 PolarHBondContact N-O 3.21Å; I67-I91 HydrophobicContact CD1-CG1 4.32Å; I67-V92 VanDerWaalsContact O-CB 3.32Å; I67-V92 WeakPolarHBondContact O-CB 3.35Å; I67-V92 VanDerWaalsContact O-CG2 3.27Å; I67-V92 WeakPolarHBondContact O-CG2 3.3Å; I67-V92 PolarHBondContact O-N 3.29Å; I67-A95 HydrophobicContact CG2-CB 3.89Å; I67-F96 HydrophobicContact CD1-CE1 4.13Å; I67-F96 HydrophobicContact CD1-CZ 3.75Å; I67-F96 HydrophobicContact CG2-CE1 4.37Å; I67-M107 HydrophobicContact CD1-CE 3.5Å; I67-M107 HydrophobicContact CD1-SD 4.37Å
68	R	95.9	Very high	95.1	Very high	70 Å²	70	50 Å²	50	26%	0.264	25%	0.245	S	C	.	.			trans	-106.3	148.8	-175.9	-48.2	163	-62.8	-152.8	0.7	110.6	V46 I66 K70 D71	V46-R68 PolarHBondContact O-NH2 2.88Å; I66-R68 HydrophobicContact CG2-CG 4.26Å; R68-K70 HydrophobicContact CB-CG 4.38Å; R68-K70 PolarHBondContact O-N 2.9Å; R68-D71 WeakPolarHBondContact CA-OD2 3.31Å; R68-D71 VanDerWaalsContact CB-OD2 3.26Å; R68-D71 WeakPolarHBondContact CB-OD2 3.33Å; R68-D71 IonicContact CZ-OD1 2.67Å; R68-D71 VanDerWaalsContact CZ-OD1 3.26Å; R68-D71 IonicContact CZ-OD2 3.73Å; R68-D71 PolarHBondContact N-OD2 2.88Å; R68-D71 IonicContact NE-OD1 3.34Å; R68-D71 PolarHBondContact NE-OD1 2.9Å; R68-D71 IonicContact NE-OD2 2.7Å; R68-D71 PolarHBondContact NE-OD2 3.32Å; R68-D71 IonicContact NH2-OD1 3.56Å; R68-D71 PolarHBondContact NH2-OD1 3.41Å; R68-D71 IonicContact NH2-OD2 2.67Å; R68-D71 VanDerWaalsContact O-CB 3.3Å; R68-D71 WeakPolarHBondContact O-CB 3.43Å; R68-D71 PolarHBondContact O-N 3.49Å
69	K	93.8	Very high	95.1	Very high	102 Å²	102	46 Å²	46	44%	0.443	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.4	-179.7	-174.3	170.2	-178.6	174.9	0	115.9	V92	K69-V92 HydrophobicContact CB-CG1 4.18Å
70	K	92.8	Very high	95.1	Very high	139 Å²	139	49.9 Å²	49.9	60%	0.604	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.2	176.7	68.5	179.8	-179.1	-179.8	0	114.6	R68	R68-K70 HydrophobicContact CB-CG 4.38Å; R68-K70 PolarHBondContact O-N 2.9Å
71	D	94.9	Very high	95.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-51.7	-166.9	-64.6	-21.7	0	0	0	110.7	V46 R52 R68	V46-D71 HydrophobicContact CB-CB 3.84Å; V46-D71 HydrophobicContact CG1-CB 3.97Å; V46-D71 HydrophobicContact CG2-CB 4.12Å; R52-D71 PolarHBondContact NH1-O 3.28Å; R52-D71 PolarHBondContact NH2-O 3.31Å; R68-D71 WeakPolarHBondContact CA-OD2 3.31Å; R68-D71 VanDerWaalsContact CB-OD2 3.26Å; R68-D71 WeakPolarHBondContact CB-OD2 3.33Å; R68-D71 IonicContact CZ-OD1 2.67Å; R68-D71 VanDerWaalsContact CZ-OD1 3.26Å; R68-D71 IonicContact CZ-OD2 3.73Å; R68-D71 PolarHBondContact N-OD2 2.88Å; R68-D71 IonicContact NE-OD1 3.34Å; R68-D71 PolarHBondContact NE-OD1 2.9Å; R68-D71 IonicContact NE-OD2 2.7Å; R68-D71 PolarHBondContact NE-OD2 3.32Å; R68-D71 IonicContact NH2-OD1 3.56Å; R68-D71 PolarHBondContact NH2-OD1 3.41Å; R68-D71 IonicContact NH2-OD2 2.67Å; R68-D71 VanDerWaalsContact O-CB 3.3Å; R68-D71 WeakPolarHBondContact O-CB 3.43Å; R68-D71 PolarHBondContact O-N 3.49Å
72	F	94.6	Very high	95.2	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.243	C	C	.	.	S	Bend	trans	-100.7	9.9	179.4	-54.1	-54.3	0	0	0	114.7	V46 L57 L59 I67 N74 M75 L81 L83 F96 L99	V46-F72 HydrophobicContact CG1-CE1 3.91Å; V46-F72 HydrophobicContact CG1-CZ 4.3Å; V46-F72 HydrophobicContact CG2-CE1 4.34Å; V46-F72 HydrophobicContact CG2-CZ 3.89Å; L57-F72 HydrophobicContact CD2-CD1 4.16Å; L57-F72 HydrophobicContact CD2-CE1 3.75Å; L59-F72 HydrophobicContact CD1-CE1 4.36Å; L59-F72 HydrophobicContact CD1-CZ 4.44Å; I67-F72 HydrophobicContact CD1-CE2 4.43Å; I67-F72 HydrophobicContact CG2-CD2 3.85Å; I67-F72 HydrophobicContact CG2-CE2 3.51Å; F72-N74 PolarHBondContact O-N 3.5Å; F72-M75 HydrophobicContact CB-SD 4.49Å; F72-M75 HydrophobicContact CD1-SD 4.11Å; F72-M75 WeakPolarHBondContact O-CB 3.24Å; F72-M75 WeakPolarHBondContact O-CG 3.32Å; F72-M75 PolarHBondContact O-N 3.31Å; F72-L81 HydrophobicContact CD1-CD2 4.35Å; F72-L81 HydrophobicContact CD2-CD2 4.19Å; F72-L81 HydrophobicContact CE1-CD1 3.93Å; F72-L81 HydrophobicContact CE1-CD2 4.16Å; F72-L81 HydrophobicContact CE2-CD2 3.96Å; F72-L81 HydrophobicContact CG-CD2 4.39Å; F72-L81 HydrophobicContact CZ-CD1 4.04Å; F72-L81 HydrophobicContact CZ-CD2 3.96Å; F72-L83 HydrophobicContact CE2-CD1 4.18Å; F72-L83 HydrophobicContact CZ-CD1 4.11Å; F72-L83 HydrophobicContact CZ-CD2 4.23Å; F72-F96 AromaticContact CD2-CD1 3.86Å; F72-F96 HydrophobicContact CD2-CD1 3.86Å; F72-F96 AromaticContact CD2-CE1 3.77Å; F72-F96 HydrophobicContact CD2-CE1 3.77Å; F72-F96 HydrophobicContact CE2-CD1 4.39Å; F72-F96 AromaticContact CE2-CE1 3.83Å; F72-F96 HydrophobicContact CE2-CE1 3.83Å; F72-L99 HydrophobicContact CB-CD1 4.14Å; F72-L99 HydrophobicContact CB-CD2 4.2Å; F72-L99 HydrophobicContact CB-CG 4.39Å
73	L	91.8	Very high	95.2	Very high	73 Å²	73	48 Å²	48	38%	0.382	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136	-178.2	-170.1	65.5	0	0	0	111.7	R52 M75	R52-L73 WeakPolarHBondContact CD-O 3.49Å; R52-L73 PolarHBondContact NH1-O 2.94Å; L73-M75 PolarHBondContact O-N 3.31Å
74	N	90.1	Very high	95.3	Very high	110 Å²	110	42.6 Å²	42.6	59%	0.588	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	20	178.6	-64.5	-3.4	0	0	0	116.3	F72 T76	F72-N74 PolarHBondContact O-N 3.5Å; N74-T76 PolarHBondContact O-N 2.88Å
75	M	92.9	Very high	95.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.			trans	-81.8	60.3	174.2	-62.6	-170.4	67.9	0	0	112	I50 R52 T54 L57 F72 L73 S77 L78 L99	I50-M75 HydrophobicContact CG2-CE 3.57Å; I50-M75 HydrophobicContact CG2-SD 4.05Å; R52-M75 HydrophobicContact CB-CG 4.47Å; T54-M75 HydrophobicContact CG2-CE 4.49Å; L57-M75 HydrophobicContact CD2-CE 4.14Å; F72-M75 HydrophobicContact CB-SD 4.49Å; F72-M75 HydrophobicContact CD1-SD 4.11Å; F72-M75 WeakPolarHBondContact O-CB 3.24Å; F72-M75 WeakPolarHBondContact O-CG 3.32Å; F72-M75 PolarHBondContact O-N 3.31Å; L73-M75 PolarHBondContact O-N 3.31Å; M75-S77 VanDerWaalsContact C-N 3.26Å; M75-S77 PolarHBondContact O-N 2.94Å; M75-L78 HydrophobicContact CB-CB 4.18Å; M75-L78 HydrophobicContact CE-CD1 4.22Å; M75-L78 HydrophobicContact CE-CD2 4.23Å; M75-L78 WeakPolarHBondContact O-CB 3.2Å; M75-L78 PolarHBondContact O-N 3.37Å; M75-L99 HydrophobicContact CB-CD2 3.71Å; M75-L99 WeakPolarHBondContact O-CD2 3.3Å
76	T	91.9	Very high	95.3	Very high	76 Å²	76	45.5 Å²	45.5	47%	0.466	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.4	-173	54	0	0	0	0	114.2	N74 S101	N74-T76 PolarHBondContact O-N 2.88Å; T76-S101 VanDerWaalsContact O-CB 3.24Å; T76-S101 WeakPolarHBondContact O-CB 3.29Å; T76-S101 PolarHBondContact O-OG 2.82Å
77	S	92.7	Very high	95.4	Very high	52 Å²	52	44.1 Å²	44.1	36%	0.364	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.8	176.2	-59.2	0	0	0	0	114.2	M75 V79	M75-S77 VanDerWaalsContact C-N 3.26Å; M75-S77 PolarHBondContact O-N 2.94Å; S77-V79 PolarHBondContact O-N 3.17Å
78	L	95.2	Very high	95.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.			trans	-73.3	125.2	-174.7	-169	68.9	0	0	0	110.9	T54 L57 M75 L81 L99 S101 L102	T54-L78 HydrophobicContact CG2-CD1 4.22Å; T54-L78 WeakPolarHBondContact O-CA 3.31Å; T54-L78 WeakPolarHBondContact O-CD1 3.3Å; T54-L78 PolarHBondContact O-N 2.99Å; L57-L78 HydrophobicContact CB-CD1 3.69Å; M75-L78 HydrophobicContact CB-CB 4.18Å; M75-L78 HydrophobicContact CE-CD1 4.22Å; M75-L78 HydrophobicContact CE-CD2 4.23Å; M75-L78 WeakPolarHBondContact O-CB 3.2Å; M75-L78 PolarHBondContact O-N 3.37Å; L78-L81 HydrophobicContact CD2-CB 4.12Å; L78-L81 HydrophobicContact CD2-CD1 4.47Å; L78-L81 HydrophobicContact CD2-CD2 4.31Å; L78-L99 HydrophobicContact CB-CD2 4.21Å; L78-L99 HydrophobicContact CD2-CD1 4.39Å; L78-L99 HydrophobicContact CD2-CD2 3.87Å; L78-S101 CarbonylContact O-C 3.57Å; L78-S101 VanDerWaalsContact O-C 3.24Å; L78-L102 HydrophobicContact CB-CD1 4.48Å; L78-L102 HydrophobicContact CD2-CD1 4.07Å; L78-L102 HydrophobicContact CG-CD1 3.88Å; L78-L102 WeakPolarHBondContact O-CA 3.45Å; L78-L102 PolarHBondContact O-N 3.35Å; L78-L102 VanDerWaalsContact O-N 3.16Å
79	V	96.4	Very high	95.4	Very high	33 Å²	33	43.2 Å²	43.2	20%	0.2	22%	0.222	C	C	.	.			trans	-110.4	-40.2	-178.3	-177.8	0	0	0	0	111.3	V55 S77 L102 R103 A104	V55-V79 HydrophobicContact CG1-CB 4.19Å; V55-V79 HydrophobicContact CG1-CG2 3.91Å; V55-V79 PolarHBondContact O-N 3.11Å; S77-V79 PolarHBondContact O-N 3.17Å; V79-L102 WeakPolarHBondContact O-CD1 3.46Å; V79-R103 HydrophobicContact CG1-CB 4.03Å; V79-R103 HydrophobicContact CG1-CG 3.91Å; V79-R103 PolarHBondContact O-N 3.42Å; V79-A104 PolarHBondContact O-N 3.08Å
80	H	97.2	Very high	95.6	Very high	81 Å²	81	44.1 Å²	44.1	38%	0.375	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129	176.8	-59.9	158.9	0	0	0	111.2	V55 E56 L57	V55-H80 PolarHBondContact O-N 3.49Å; E56-H80 WeakPolarHBondContact CA-O 3.37Å; E56-H80 HydrophobicContact CB-CB 4.48Å; E56-H80 HydrophobicContact CG-CB 4.2Å; L57-H80 PolarHBondContact N-O 2.9Å
81	L	97.6	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.1	175.3	177.2	54.4	0	0	0	110.1	L57 F72 L78 L83 F96 L99 L102 A104 L105 H106	L57-L81 HydrophobicContact CB-CD1 4.07Å; L57-L81 HydrophobicContact CD2-CD1 3.91Å; L57-L81 HydrophobicContact CG-CD1 3.94Å; F72-L81 HydrophobicContact CD1-CD2 4.35Å; F72-L81 HydrophobicContact CD2-CD2 4.19Å; F72-L81 HydrophobicContact CE1-CD1 3.93Å; F72-L81 HydrophobicContact CE1-CD2 4.16Å; F72-L81 HydrophobicContact CE2-CD2 3.96Å; F72-L81 HydrophobicContact CG-CD2 4.39Å; F72-L81 HydrophobicContact CZ-CD1 4.04Å; F72-L81 HydrophobicContact CZ-CD2 3.96Å; L78-L81 HydrophobicContact CD2-CB 4.12Å; L78-L81 HydrophobicContact CD2-CD1 4.47Å; L78-L81 HydrophobicContact CD2-CD2 4.31Å; L81-L83 HydrophobicContact CD1-CD1 4.3Å; L81-L83 HydrophobicContact CD1-CG 4.22Å; L81-L83 HydrophobicContact CD2-CD1 4.09Å; L81-L83 HydrophobicContact CG-CD1 4.04Å; L81-L83 HydrophobicContact CG-CG 4.33Å; L81-F96 HydrophobicContact CD2-CE1 4.15Å; L81-L99 HydrophobicContact CD2-CD1 4.08Å; L81-L102 HydrophobicContact CB-CD1 3.76Å; L81-L102 HydrophobicContact CB-CD2 4.39Å; L81-A104 PolarHBondContact N-O 3.16Å; L81-L105 HydrophobicContact CB-CD1 4.19Å; L81-L105 HydrophobicContact CD2-CD1 3.93Å; L81-L105 HydrophobicContact CG-CD1 3.99Å; L81-H106 PolarHBondContact O-N 3.18Å
82	T	98	Very high	95.9	Very high	20 Å²	20	40.3 Å²	40.3	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	108.2	-176.7	-35.7	0	0	0	0	110.5	L57 L59 T60 S84 H106	L57-T82 PolarHBondContact O-N 3.46Å; L59-T82 PolarHBondContact N-O 2.9Å; T60-T82 HydrophobicContact CG2-CG2 3.39Å; T82-S84 VanDerWaalsContact CG2-OG 3.28Å; T82-S84 WeakPolarHBondContact CG2-OG 3.45Å; T82-H106 HydrophobicContact CG2-CB 3.9Å
83	L	97.8	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.			trans	-112.3	10.3	178.9	-71.6	157.2	0	0	0	112.4	L59 I64 I67 F72 L81 N86 I88 L105 H106 M107 N110	L59-L83 HydrophobicContact CB-CD2 4.14Å; L59-L83 HydrophobicContact CD1-CD2 3.92Å; I64-L83 HydrophobicContact CD1-CD2 4.49Å; I67-L83 HydrophobicContact CD1-CD1 3.76Å; F72-L83 HydrophobicContact CE2-CD1 4.18Å; F72-L83 HydrophobicContact CZ-CD1 4.11Å; F72-L83 HydrophobicContact CZ-CD2 4.23Å; L81-L83 HydrophobicContact CD1-CD1 4.3Å; L81-L83 HydrophobicContact CD1-CG 4.22Å; L81-L83 HydrophobicContact CD2-CD1 4.09Å; L81-L83 HydrophobicContact CG-CD1 4.04Å; L81-L83 HydrophobicContact CG-CG 4.33Å; L83-N86 PolarHBondContact O-ND2 2.79Å; L83-I88 HydrophobicContact CB-CD1 3.98Å; L83-I88 HydrophobicContact CD2-CD1 4.05Å; L83-I88 HydrophobicContact CG-CD1 4.43Å; L83-L105 HydrophobicContact CD1-CD1 4.46Å; L83-H106 WeakPolarHBondContact CA-O 3.5Å; L83-H106 WeakPolarHBondContact CB-O 3.23Å; L83-H106 PolarHBondContact N-O 3.02Å; L83-M107 HydrophobicContact CB-CG 4.32Å; L83-M107 HydrophobicContact CD1-CE 4.43Å; L83-M107 HydrophobicContact CD1-CG 4.36Å; L83-N110 PolarHBondContact O-ND2 2.66Å; L83-N110 VanDerWaalsContact O-ND2 3.08Å
84	S	98.1	Very high	96.1	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.035	23%	0.23	C	C	.	.			trans	-44.1	141.8	177.2	-49.9	0	0	0	0	114.3	T60 D61 T82 N86 D108	T60-S84 WeakPolarHBondContact CA-O 3.26Å; T60-S84 WeakPolarHBondContact CB-O 3.48Å; D61-S84 PolarHBondContact N-O 2.7Å; D61-S84 VanDerWaalsContact N-O 3.12Å; T82-S84 VanDerWaalsContact CG2-OG 3.28Å; T82-S84 WeakPolarHBondContact CG2-OG 3.45Å; S84-N86 PolarHBondContact O-ND2 2.87Å; S84-D108 CarbonylContact C-O 3.07Å; S84-D108 VanDerWaalsContact CA-O 3.28Å; S84-D108 WeakPolarHBondContact CA-O 3.12Å; S84-D108 WeakPolarHBondContact CB-OD1 3.12Å; S84-D108 WeakPolarHBondContact CB-OD2 3.36Å; S84-D108 PolarHBondContact OG-OD1 3.28Å; S84-D108 PolarHBondContact OG-OD2 2.83Å
85	R	97.8	Very high	96.4	Very high	118 Å²	118	37.6 Å²	37.6	45%	0.445	20%	0.203	S	C	.	.	S	Bend	trans	52.5	63	175.4	-62.4	178.3	-57.6	-70.2	-5.4	111.9	D61 N62 D108 G109	D61-R85 WeakPolarHBondContact CA-O 3.23Å; D61-R85 PolarHBondContact N-O 2.98Å; D61-R85 VanDerWaalsContact N-O 3.14Å; D61-R85 IonicContact OD1-CZ 2.72Å; D61-R85 IonicContact OD1-NE 3.44Å; D61-R85 PolarHBondContact OD1-NE 3.3Å; D61-R85 IonicContact OD1-NH2 2.79Å; D61-R85 PolarHBondContact OD1-NH2 2.92Å; D61-R85 IonicContact OD2-CZ 2.73Å; D61-R85 IonicContact OD2-NE 3.14Å; D61-R85 IonicContact OD2-NH2 2.71Å; D61-R85 PolarHBondContact OD2-NH2 3.42Å; N62-R85 PolarHBondContact N-O 3.47Å; R85-D108 PolarHBondContact N-O 3.01Å; R85-D108 IonicContact NH1-OD2 3.78Å; R85-G109 VanDerWaalsContact CA-O 3.26Å; R85-G109 WeakPolarHBondContact CA-O 3.34Å
86	N	98.1	Very high	96.5	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.048	20%	0.203	C	C	.	.	S	Bend	trans	-125.9	-170.9	172.6	-88.7	-92.6	0	0	0	109.5	L59 N62 F63 I64 L83 S84 I88 G109 N110	L59-N86 PolarHBondContact O-ND2 3.04Å; N62-N86 WeakPolarHBondContact CA-OD1 3.28Å; N62-N86 WeakPolarHBondContact CB-OD1 3.01Å; N62-N86 WeakPolarHBondContact O-CA 3.45Å; N62-N86 PolarHBondContact O-OD1 3.31Å; F63-N86 PolarHBondContact N-OD1 2.88Å; I64-N86 WeakPolarHBondContact CB-OD1 3.38Å; I64-N86 WeakPolarHBondContact CG1-OD1 3.49Å; I64-N86 PolarHBondContact N-OD1 2.87Å; I64-N86 VanDerWaalsContact N-OD1 3.07Å; L83-N86 PolarHBondContact O-ND2 2.79Å; S84-N86 PolarHBondContact O-ND2 2.87Å; N86-I88 HydrophobicContact CB-CD1 4.06Å; N86-I88 HydrophobicContact CB-CG1 3.91Å; N86-G109 PolarHBondContact N-O 3.3Å; N86-N110 WeakPolarHBondContact CA-OD1 3.46Å; N86-N110 WeakPolarHBondContact CB-OD1 3.36Å; N86-N110 PolarHBondContact O-OD1 3.31Å
87	T	97.6	Very high	96.4	Very high	35 Å²	35	37.7 Å²	37.7	22%	0.215	20%	0.2	C	C	.	.			trans	-110.3	26.6	177.7	47.1	0	0	0	0	112	F63 I64 T65 S89	F63-T87 VanDerWaalsContact C-OG1 3.23Å; F63-T87 PolarHBondContact O-OG1 2.96Å; I64-T87 CarbonylContact O-C 3.18Å; I64-T87 WeakPolarHBondContact O-CA 3.48Å; I64-T87 PolarHBondContact O-N 3.46Å; I64-T87 VanDerWaalsContact O-N 3.11Å; I64-T87 PolarHBondContact O-OG1 3.1Å; T65-T87 WeakPolarHBondContact CG2-OG1 3.22Å; T87-S89 PolarHBondContact O-N 3.28Å; T87-S89 VanDerWaalsContact O-N 3.17Å
88	I	98.3	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.			trans	-69.3	114.8	-170.1	-56.7	167.7	0	0	0	109.4	I64 T65 I67 L83 N86 M107 N110 R111 L112	I64-I88 HydrophobicContact CB-CG1 4.29Å; I64-I88 HydrophobicContact CG2-CD1 4.47Å; I64-I88 HydrophobicContact CG2-CG1 4.16Å; I64-I88 WeakPolarHBondContact O-CA 3.41Å; I64-I88 WeakPolarHBondContact O-CG1 3.35Å; I64-I88 PolarHBondContact O-N 2.81Å; T65-I88 WeakPolarHBondContact O-CA 3.43Å; I67-I88 HydrophobicContact CD1-CD1 4.19Å; I67-I88 HydrophobicContact CD1-CG2 4.31Å; I67-I88 HydrophobicContact CG1-CD1 4.2Å; I67-I88 HydrophobicContact CG1-CG2 4.06Å; L83-I88 HydrophobicContact CB-CD1 3.98Å; L83-I88 HydrophobicContact CD2-CD1 4.05Å; L83-I88 HydrophobicContact CG-CD1 4.43Å; N86-I88 HydrophobicContact CB-CD1 4.06Å; N86-I88 HydrophobicContact CB-CG1 3.91Å; I88-M107 HydrophobicContact CD1-CE 4.17Å; I88-M107 HydrophobicContact CG2-CE 4.23Å; I88-N110 HydrophobicContact CB-CB 4.4Å; I88-N110 VanDerWaalsContact CB-OD1 3.23Å; I88-N110 WeakPolarHBondContact CB-OD1 3.25Å; I88-N110 VanDerWaalsContact CG1-OD1 3.28Å; I88-N110 WeakPolarHBondContact CG1-OD1 3.22Å; I88-N110 PolarHBondContact N-OD1 2.81Å; I88-R111 CarbonylContact O-C 3.49Å; I88-R111 VanDerWaalsContact O-CA 3.32Å; I88-R111 WeakPolarHBondContact O-CA 3.08Å; I88-R111 PolarHBondContact O-N 2.88Å; I88-L112 HydrophobicContact CG2-CD2 4.02Å; I88-L112 PolarHBondContact O-N 2.81Å
89	S	96.8	Very high	96	Very high	51 Å²	51	35.9 Å²	35.9	36%	0.357	19%	0.19	S	C	.	.			trans	-109.8	-17.3	176.1	60.4	0	0	0	0	113.3	T65 T87 R111	T65-S89 PolarHBondContact O-N 3.34Å; T87-S89 PolarHBondContact O-N 3.28Å; T87-S89 VanDerWaalsContact O-N 3.17Å; S89-R111 WeakPolarHBondContact CA-O 3.08Å
90	Q	96.3	Very high	95.8	Very high	120 Å²	120	42.6 Å²	42.6	56%	0.561	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.6	-178.3	-61.3	-175.9	2.4	0	0	112.5	I66 I67	I66-Q90 WeakPolarHBondContact CA-O 3.29Å; I66-Q90 HydrophobicContact CG1-CB 4.34Å; I66-Q90 HydrophobicContact CG2-CB 4.3Å; I67-Q90 PolarHBondContact N-O 3.21Å
91	I	97.4	Very high	95.7	Very high	9 Å²	9	41 Å²	41	5%	0.046	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.1	168.2	-52.3	179.3	0	0	0	106.1	I67 A95 F96 M107 L112 H119	I67-I91 HydrophobicContact CD1-CG1 4.32Å; I91-A95 HydrophobicContact CG2-CB 4.12Å; I91-F96 HydrophobicContact CD1-CE2 4.29Å; I91-F96 HydrophobicContact CG2-CE2 4.12Å; I91-F96 HydrophobicContact CG2-CZ 4.47Å; I91-M107 HydrophobicContact CD1-CE 3.86Å; I91-M107 HydrophobicContact CD1-SD 4.11Å; I91-M107 HydrophobicContact CG1-CE 4.31Å; I91-L112 HydrophobicContact CD1-CD1 4.22Å; I91-L112 HydrophobicContact CD1-CD2 4.03Å; I91-L112 HydrophobicContact CG1-CD2 3.87Å; I91-H119 HydrophobicContact CG2-CB 4.41Å
92	V	96.3	Very high	95.7	Very high	53 Å²	53	41 Å²	41	32%	0.321	21%	0.21	S	C	.	.			trans	-68.8	138.2	174.7	170.8	0	0	0	0	109.2	I66 I67 K69 H94 A95	I66-V92 HydrophobicContact CG2-CG2 4.15Å; I67-V92 VanDerWaalsContact O-CB 3.32Å; I67-V92 WeakPolarHBondContact O-CB 3.35Å; I67-V92 VanDerWaalsContact O-CG2 3.27Å; I67-V92 WeakPolarHBondContact O-CG2 3.3Å; I67-V92 PolarHBondContact O-N 3.29Å; K69-V92 HydrophobicContact CB-CG1 4.18Å; V92-H94 PolarHBondContact O-N 3.23Å; V92-A95 WeakPolarHBondContact O-CB 3.07Å; V92-A95 PolarHBondContact O-N 2.68Å
93	P	95.6	Very high	95.7	Very high	59 Å²	59	46.3 Å²	46.3	38%	0.383	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	131.6	174	-36.5	39.2	0	0	0	113.8	A95 D118	P93-A95 VanDerWaalsContact C-N 3.27Å; P93-A95 PolarHBondContact O-N 2.93Å; P93-D118 HydrophobicContact CB-CB 4.37Å; P93-D118 WeakPolarHBondContact CB-OD2 3.15Å; P93-D118 VanDerWaalsContact CG-OD2 3.22Å; P93-D118 WeakPolarHBondContact CG-OD2 3.39Å
94	H	95.3	Very high	95.7	Very high	66 Å²	66	46.6 Å²	46.6	31%	0.306	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	29.6	-180	-52.3	75.8	0	0	0	114.1	V92 F96 L97 D118	V92-H94 PolarHBondContact O-N 3.23Å; H94-F96 VanDerWaalsContact C-N 3.32Å; H94-F96 PolarHBondContact O-N 2.83Å; H94-L97 HydrophobicContact CB-CB 4.04Å; H94-L97 HydrophobicContact CB-CD2 4.21Å; H94-L97 WeakPolarHBondContact O-CB 3.5Å; H94-L97 PolarHBondContact O-N 3.03Å; H94-D118 PolarHBondContact N-O 2.84Å
95	A	96.1	Very high	95.7	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.7	-179.2	0	0	0	0	0	114.9	I67 I91 V92 P93	I67-A95 HydrophobicContact CG2-CB 3.89Å; I91-A95 HydrophobicContact CG2-CB 4.12Å; V92-A95 WeakPolarHBondContact O-CB 3.07Å; V92-A95 PolarHBondContact O-N 2.68Å; P93-A95 VanDerWaalsContact C-N 3.27Å; P93-A95 PolarHBondContact O-N 2.93Å
96	F	95.9	Very high	95.7	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	7	174.3	-56.1	-52.9	0	0	0	113.4	I67 F72 L81 I91 H94 G98 L99 L105 M107 H119 F120 L123	I67-F96 HydrophobicContact CD1-CE1 4.13Å; I67-F96 HydrophobicContact CD1-CZ 3.75Å; I67-F96 HydrophobicContact CG2-CE1 4.37Å; F72-F96 AromaticContact CD2-CD1 3.86Å; F72-F96 HydrophobicContact CD2-CD1 3.86Å; F72-F96 AromaticContact CD2-CE1 3.77Å; F72-F96 HydrophobicContact CD2-CE1 3.77Å; F72-F96 HydrophobicContact CE2-CD1 4.39Å; F72-F96 AromaticContact CE2-CE1 3.83Å; F72-F96 HydrophobicContact CE2-CE1 3.83Å; L81-F96 HydrophobicContact CD2-CE1 4.15Å; I91-F96 HydrophobicContact CD1-CE2 4.29Å; I91-F96 HydrophobicContact CG2-CE2 4.12Å; I91-F96 HydrophobicContact CG2-CZ 4.47Å; H94-F96 VanDerWaalsContact C-N 3.32Å; H94-F96 PolarHBondContact O-N 2.83Å; F96-G98 PolarHBondContact O-N 2.91Å; F96-L99 HydrophobicContact CB-CD1 4.03Å; F96-L99 HydrophobicContact CB-CG 4.46Å; F96-L99 HydrophobicContact CD1-CD1 3.72Å; F96-L99 HydrophobicContact CG-CD1 4.28Å; F96-L99 WeakPolarHBondContact O-CB 3.39Å; F96-L99 WeakPolarHBondContact O-CG 3.22Å; F96-L99 PolarHBondContact O-N 2.99Å; F96-L105 HydrophobicContact CD2-CD2 4.41Å; F96-L105 HydrophobicContact CE2-CD2 4.01Å; F96-L105 HydrophobicContact CZ-CD1 4.42Å; F96-L105 HydrophobicContact CZ-CD2 4.16Å; F96-M107 HydrophobicContact CE2-SD 4.38Å; F96-M107 HydrophobicContact CZ-SD 3.93Å; F96-H119 VanDerWaalsContact CD2-O 3.27Å; F96-H119 WeakPolarHBondContact CD2-O 3.28Å; F96-F120 HydrophobicContact CD2-CD1 4.12Å; F96-F120 HydrophobicContact CE2-CD1 4.05Å; F96-F120 HydrophobicContact CE2-CE1 4.22Å; F96-L123 HydrophobicContact CB-CD1 4.34Å; F96-L123 HydrophobicContact CB-CD2 3.91Å; F96-L123 HydrophobicContact CB-CG 4.11Å; F96-L123 HydrophobicContact CD2-CD1 4.13Å; F96-L123 HydrophobicContact CG-CD1 4.42Å
97	L	90.9	Very high	95.7	Very high	77 Å²	77	43.2 Å²	43.2	40%	0.403	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	104.2	-178.1	-175.1	70.9	0	0	0	111.2	H94	H94-L97 HydrophobicContact CB-CB 4.04Å; H94-L97 HydrophobicContact CB-CD2 4.21Å; H94-L97 WeakPolarHBondContact O-CB 3.5Å; H94-L97 PolarHBondContact O-N 3.03Å
98	G	84.3	Confident	95.7	Very high	14 Å²	14	43 Å²	43	14%	0.144	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	126.4	-14.9	-177	0	0	0	0	0	114	F96 R100	F96-G98 PolarHBondContact O-N 2.91Å; G98-R100 PolarHBondContact O-N 3.26Å
99	L	94.6	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.			trans	-75.8	47.5	178.3	-62.3	-170	0	0	0	113.1	F72 M75 L78 L81 F96 S101 L102 L123	F72-L99 HydrophobicContact CB-CD1 4.14Å; F72-L99 HydrophobicContact CB-CD2 4.2Å; F72-L99 HydrophobicContact CB-CG 4.39Å; M75-L99 HydrophobicContact CB-CD2 3.71Å; M75-L99 WeakPolarHBondContact O-CD2 3.3Å; L78-L99 HydrophobicContact CB-CD2 4.21Å; L78-L99 HydrophobicContact CD2-CD1 4.39Å; L78-L99 HydrophobicContact CD2-CD2 3.87Å; L81-L99 HydrophobicContact CD2-CD1 4.08Å; F96-L99 HydrophobicContact CB-CD1 4.03Å; F96-L99 HydrophobicContact CB-CG 4.46Å; F96-L99 HydrophobicContact CD1-CD1 3.72Å; F96-L99 HydrophobicContact CG-CD1 4.28Å; F96-L99 WeakPolarHBondContact O-CB 3.39Å; F96-L99 WeakPolarHBondContact O-CG 3.22Å; F96-L99 PolarHBondContact O-N 2.99Å; L99-S101 PolarHBondContact O-N 2.99Å; L99-S101 VanDerWaalsContact O-N 3.15Å; L99-L102 HydrophobicContact CB-CB 4.09Å; L99-L102 HydrophobicContact CD1-CD2 4.12Å; L99-L102 VanDerWaalsContact O-CB 3.28Å; L99-L102 WeakPolarHBondContact O-CB 3.02Å; L99-L102 PolarHBondContact O-N 3.48Å; L99-L102 VanDerWaalsContact O-N 3.1Å; L99-L123 HydrophobicContact CB-CD2 3.84Å; L99-L123 HydrophobicContact CD1-CD2 4.48Å
100	R	91.6	Very high	95.8	Very high	174 Å²	174	42.3 Å²	42.3	66%	0.657	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.6	-172.3	-65.5	-174.6	179.2	-136.5	0.3	114.5	G98 N125	G98-R100 PolarHBondContact O-N 3.26Å; R100-N125 PolarHBondContact O-ND2 2.99Å
101	S	95.1	Very high	95.9	Very high	49 Å²	49	43.3 Å²	43.3	34%	0.343	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-1	179.7	-53.6	0	0	0	0	113.5	T76 L78 L99 R103	T76-S101 VanDerWaalsContact O-CB 3.24Å; T76-S101 WeakPolarHBondContact O-CB 3.29Å; T76-S101 PolarHBondContact O-OG 2.82Å; L78-S101 CarbonylContact O-C 3.57Å; L78-S101 VanDerWaalsContact O-C 3.24Å; L99-S101 PolarHBondContact O-N 2.99Å; L99-S101 VanDerWaalsContact O-N 3.15Å; S101-R103 PolarHBondContact O-N 2.95Å
102	L	97.4	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.			trans	-69.1	127.7	-174.2	-162.1	79	0	0	0	110.4	L78 V79 L81 L99 L105 L123 N125 L126	L78-L102 HydrophobicContact CB-CD1 4.48Å; L78-L102 HydrophobicContact CD2-CD1 4.07Å; L78-L102 HydrophobicContact CG-CD1 3.88Å; L78-L102 WeakPolarHBondContact O-CA 3.45Å; L78-L102 PolarHBondContact O-N 3.35Å; L78-L102 VanDerWaalsContact O-N 3.16Å; V79-L102 WeakPolarHBondContact O-CD1 3.46Å; L81-L102 HydrophobicContact CB-CD1 3.76Å; L81-L102 HydrophobicContact CB-CD2 4.39Å; L99-L102 HydrophobicContact CB-CB 4.09Å; L99-L102 HydrophobicContact CD1-CD2 4.12Å; L99-L102 VanDerWaalsContact O-CB 3.28Å; L99-L102 WeakPolarHBondContact O-CB 3.02Å; L99-L102 PolarHBondContact O-N 3.48Å; L99-L102 VanDerWaalsContact O-N 3.1Å; L102-L105 HydrophobicContact CD2-CB 3.98Å; L102-L105 HydrophobicContact CD2-CD1 4.47Å; L102-L123 HydrophobicContact CB-CD2 4.2Å; L102-L123 HydrophobicContact CD2-CD2 3.66Å; L102-N125 CarbonylContact O-C 3.56Å; L102-L126 HydrophobicContact CD2-CD1 4.18Å; L102-L126 HydrophobicContact CG-CD1 4.42Å; L102-L126 WeakPolarHBondContact O-CA 3.31Å; L102-L126 PolarHBondContact O-N 2.89Å
103	R	97.8	Very high	95.9	Very high	130 Å²	130	42.9 Å²	42.9	49%	0.491	21%	0.213	S	C	.	.			trans	-110.9	-31.9	178.3	-65.6	-178.8	-173.7	-166	0	112.5	V79 S101 R127 H128	V79-R103 HydrophobicContact CG1-CB 4.03Å; V79-R103 HydrophobicContact CG1-CG 3.91Å; V79-R103 PolarHBondContact O-N 3.42Å; S101-R103 PolarHBondContact O-N 2.95Å; R103-R127 WeakPolarHBondContact O-CA 3.48Å; R103-R127 WeakPolarHBondContact O-CB 3.44Å; R103-R127 PolarHBondContact O-N 2.95Å; R103-H128 PolarHBondContact O-N 2.9Å
104	A	98.3	Very high	96	Very high	6 Å²	6	42 Å²	42	5%	0.05	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.9	178.4	0	0	0	0	0	111	V79 L81 H128	V79-A104 PolarHBondContact O-N 3.08Å; L81-A104 PolarHBondContact N-O 3.16Å; A104-H128 WeakPolarHBondContact CA-O 3.43Å; A104-H128 HydrophobicContact CB-CB 4.11Å
105	L	98.3	Very high	96.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	109.5	172.4	177.9	56.2	0	0	0	108.8	L81 L83 F96 L102 M107 F120 L123 L126 H128 L129 I130	L81-L105 HydrophobicContact CB-CD1 4.19Å; L81-L105 HydrophobicContact CD2-CD1 3.93Å; L81-L105 HydrophobicContact CG-CD1 3.99Å; L83-L105 HydrophobicContact CD1-CD1 4.46Å; F96-L105 HydrophobicContact CD2-CD2 4.41Å; F96-L105 HydrophobicContact CE2-CD2 4.01Å; F96-L105 HydrophobicContact CZ-CD1 4.42Å; F96-L105 HydrophobicContact CZ-CD2 4.16Å; L102-L105 HydrophobicContact CD2-CB 3.98Å; L102-L105 HydrophobicContact CD2-CD1 4.47Å; L105-M107 HydrophobicContact CD1-CG 3.92Å; L105-M107 HydrophobicContact CD1-SD 4.23Å; L105-M107 HydrophobicContact CD2-SD 4.31Å; L105-M107 HydrophobicContact CG-CG 4.07Å; L105-M107 HydrophobicContact CG-SD 4.35Å; L105-F120 HydrophobicContact CD2-CD1 4.39Å; L105-F120 HydrophobicContact CD2-CE1 4.25Å; L105-L123 HydrophobicContact CD2-CD1 3.8Å; L105-L126 HydrophobicContact CB-CD1 3.81Å; L105-H128 PolarHBondContact N-O 2.82Å; L105-L129 HydrophobicContact CB-CD1 4.27Å; L105-L129 HydrophobicContact CD2-CD1 4.09Å; L105-L129 HydrophobicContact CG-CD1 4.23Å; L105-I130 PolarHBondContact O-N 2.99Å
106	H	98.5	Very high	96.1	Very high	62 Å²	62	44.2 Å²	44.2	29%	0.287	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.6	174.5	-61.5	-115.9	0	0	0	109.8	L81 T82 L83 I130	L81-H106 PolarHBondContact O-N 3.18Å; T82-H106 HydrophobicContact CG2-CB 3.9Å; L83-H106 WeakPolarHBondContact CA-O 3.5Å; L83-H106 WeakPolarHBondContact CB-O 3.23Å; L83-H106 PolarHBondContact N-O 3.02Å; H106-I130 HydrophobicContact CB-CB 4.39Å
107	M	97.5	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.			trans	-133.3	22.6	177.3	-63.2	-164.3	65.7	0	0	111.4	I67 L83 I88 I91 F96 L105 N110 L112 I130 L131 N134	I67-M107 HydrophobicContact CD1-CE 3.5Å; I67-M107 HydrophobicContact CD1-SD 4.37Å; L83-M107 HydrophobicContact CB-CG 4.32Å; L83-M107 HydrophobicContact CD1-CE 4.43Å; L83-M107 HydrophobicContact CD1-CG 4.36Å; I88-M107 HydrophobicContact CD1-CE 4.17Å; I88-M107 HydrophobicContact CG2-CE 4.23Å; I91-M107 HydrophobicContact CD1-CE 3.86Å; I91-M107 HydrophobicContact CD1-SD 4.11Å; I91-M107 HydrophobicContact CG1-CE 4.31Å; F96-M107 HydrophobicContact CE2-SD 4.38Å; F96-M107 HydrophobicContact CZ-SD 3.93Å; L105-M107 HydrophobicContact CD1-CG 3.92Å; L105-M107 HydrophobicContact CD1-SD 4.23Å; L105-M107 HydrophobicContact CD2-SD 4.31Å; L105-M107 HydrophobicContact CG-CG 4.07Å; L105-M107 HydrophobicContact CG-SD 4.35Å; M107-N110 WeakPolarHBondContact O-CB 3.02Å; M107-N110 PolarHBondContact O-ND2 3.47Å; M107-L112 HydrophobicContact CE-CD1 4.03Å; M107-I130 PolarHBondContact N-O 3.26Å; M107-L131 HydrophobicContact CB-CD2 4.05Å; M107-N134 PolarHBondContact O-ND2 2.79Å
108	D	98	Very high	96.2	Very high	30 Å²	30	44.5 Å²	44.5	16%	0.16	22%	0.22	C	C	.	.			trans	-59.9	153.8	178.7	58	-76.5	0	0	0	113.2	S84 R85 N110 I130 G132	S84-D108 CarbonylContact C-O 3.07Å; S84-D108 VanDerWaalsContact CA-O 3.28Å; S84-D108 WeakPolarHBondContact CA-O 3.12Å; S84-D108 WeakPolarHBondContact CB-OD1 3.12Å; S84-D108 WeakPolarHBondContact CB-OD2 3.36Å; S84-D108 PolarHBondContact OG-OD1 3.28Å; S84-D108 PolarHBondContact OG-OD2 2.83Å; R85-D108 PolarHBondContact N-O 3.01Å; R85-D108 IonicContact NH1-OD2 3.78Å; D108-N110 PolarHBondContact O-N 3.36Å; D108-N110 PolarHBondContact O-ND2 2.82Å; D108-I130 HydrophobicContact CB-CG2 4.2Å; D108-I130 PolarHBondContact N-O 2.04Å; D108-G132 CarbonylContact C-O 3.51Å; D108-G132 WeakPolarHBondContact CA-O 3.35Å; D108-G132 WeakPolarHBondContact CB-O 3Å
109	G	98	Very high	96.8	Very high	27 Å²	27	44.5 Å²	44.5	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	60.9	48.5	175.5	0	0	0	0	0	112.8	R85 N86 G132 N133	R85-G109 VanDerWaalsContact CA-O 3.26Å; R85-G109 WeakPolarHBondContact CA-O 3.34Å; N86-G109 PolarHBondContact N-O 3.3Å; G109-G132 PolarHBondContact N-O 2.96Å; G109-N133 CarbonylContact C-O 3.12Å; G109-N133 WeakPolarHBondContact CA-O 3.37Å; G109-N133 PolarHBondContact N-O 2.03Å; G109-N133 VanDerWaalsContact N-O 3.12Å
110	N	98.6	Very high	96.8	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.048	22%	0.217	C	C	.	.	S	Bend	trans	-125.4	-162.8	-178.2	-88.1	-78.5	0	0	0	110.9	L83 N86 I88 M107 D108 N133 N134	L83-N110 PolarHBondContact O-ND2 2.66Å; L83-N110 VanDerWaalsContact O-ND2 3.08Å; N86-N110 WeakPolarHBondContact CA-OD1 3.46Å; N86-N110 WeakPolarHBondContact CB-OD1 3.36Å; N86-N110 PolarHBondContact O-OD1 3.31Å; I88-N110 HydrophobicContact CB-CB 4.4Å; I88-N110 VanDerWaalsContact CB-OD1 3.23Å; I88-N110 WeakPolarHBondContact CB-OD1 3.25Å; I88-N110 VanDerWaalsContact CG1-OD1 3.28Å; I88-N110 WeakPolarHBondContact CG1-OD1 3.22Å; I88-N110 PolarHBondContact N-OD1 2.81Å; M107-N110 WeakPolarHBondContact O-CB 3.02Å; M107-N110 PolarHBondContact O-ND2 3.47Å; D108-N110 PolarHBondContact O-N 3.36Å; D108-N110 PolarHBondContact O-ND2 2.82Å; N110-N133 PolarHBondContact N-O 2.85Å; N110-N133 VanDerWaalsContact N-O 3.13Å; N110-N134 WeakPolarHBondContact CA-OD1 3.48Å; N110-N134 WeakPolarHBondContact CB-OD1 3.42Å
111	R	97.8	Very high	96.9	Very high	141 Å²	141	39.6 Å²	39.6	53%	0.532	20%	0.2	S	C	.	.			trans	-127.7	28.1	-175	-59.5	-174	179	-144.3	-1.4	112.3	I88 S89 N134	I88-R111 CarbonylContact O-C 3.49Å; I88-R111 VanDerWaalsContact O-CA 3.32Å; I88-R111 WeakPolarHBondContact O-CA 3.08Å; I88-R111 PolarHBondContact O-N 2.88Å; S89-R111 WeakPolarHBondContact CA-O 3.08Å; R111-N134 PolarHBondContact N-OD1 2.97Å
112	L	97.8	Very high	96.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.19	C	C	.	.			trans	-66.4	133.2	177	-61.5	179	0	0	0	110	I88 I91 M107 L131 N134 Q135 I136	I88-L112 HydrophobicContact CG2-CD2 4.02Å; I88-L112 PolarHBondContact O-N 2.81Å; I91-L112 HydrophobicContact CD1-CD1 4.22Å; I91-L112 HydrophobicContact CD1-CD2 4.03Å; I91-L112 HydrophobicContact CG1-CD2 3.87Å; M107-L112 HydrophobicContact CE-CD1 4.03Å; L112-L131 HydrophobicContact CD1-CD2 3.93Å; L112-N134 HydrophobicContact CB-CB 4.4Å; L112-N134 WeakPolarHBondContact CB-OD1 3.41Å; L112-N134 WeakPolarHBondContact CG-OD1 3.17Å; L112-N134 PolarHBondContact N-OD1 2.96Å; L112-Q135 CarbonylContact O-C 3.52Å; L112-Q135 VanDerWaalsContact O-CA 3.27Å; L112-Q135 WeakPolarHBondContact O-CA 3.06Å; L112-Q135 PolarHBondContact O-N 3.09Å; L112-I136 HydrophobicContact CB-CD1 4.49Å; L112-I136 HydrophobicContact CB-CG1 4.01Å; L112-I136 WeakPolarHBondContact O-CG1 3.19Å; L112-I136 PolarHBondContact O-N 2.8Å; L112-I136 VanDerWaalsContact O-N 3.1Å
113	S	96.6	Very high	96.6	Very high	50 Å²	50	37.9 Å²	37.9	35%	0.35	19%	0.19	S	C	.	.			trans	-112.1	-29	-179.3	59.5	0	0	0	0	114.3	I136 H137	S113-I136 WeakPolarHBondContact O-CA 3.44Å; S113-H137 PolarHBondContact O-CE1 3.16Å; S113-H137 VanDerWaalsContact O-CE1 3.22Å; S113-H137 PolarHBondContact O-N 3.23Å; S113-H137 PolarHBondContact O-ND1 2.82Å
114	V	97.1	Very high	96.5	Very high	40 Å²	40	34.6 Å²	34.6	24%	0.242	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.8	-179	-179	0	0	0	0	110.2	K116 H119 Q138	V114-K116 HydrophobicContact CG1-CG 4.23Å; V114-H119 PolarHBondContact O-CE1 2.85Å; V114-H119 VanDerWaalsContact O-CE1 3.28Å; V114-Q138 WeakPolarHBondContact CA-O 3.49Å; V114-Q138 HydrophobicContact CG1-CB 4.43Å
115	I	97.3	Very high	96.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.4	170.4	-69.6	173.3	0	0	0	109.3	F120 L131 I136 Q138 V139 A140	I115-F120 HydrophobicContact CD1-CE2 4.04Å; I115-F120 HydrophobicContact CD1-CZ 4.19Å; I115-F120 HydrophobicContact CG1-CE2 4.34Å; I115-F120 HydrophobicContact CG1-CZ 4.46Å; I115-F120 HydrophobicContact CG2-CD2 4.07Å; I115-F120 HydrophobicContact CG2-CE2 3.56Å; I115-F120 HydrophobicContact CG2-CZ 4.39Å; I115-L131 HydrophobicContact CD1-CD1 3.77Å; I115-I136 HydrophobicContact CD1-CD1 3.74Å; I115-I136 HydrophobicContact CD1-CG1 4.44Å; I115-I136 HydrophobicContact CD1-CG2 4.23Å; I115-I136 HydrophobicContact CG1-CD1 4.33Å; I115-I136 HydrophobicContact CG1-CG2 4.22Å; I115-Q138 PolarHBondContact N-O 3.35Å; I115-V139 HydrophobicContact CB-CG1 4.41Å; I115-V139 HydrophobicContact CB-CG2 4.28Å; I115-V139 HydrophobicContact CD1-CG2 4.3Å; I115-V139 HydrophobicContact CG2-CG1 4.24Å; I115-A140 WeakPolarHBondContact O-CB 3.42Å; I115-A140 PolarHBondContact O-N 3.08Å
116	K	96.1	Very high	96.4	Very high	113 Å²	113	38.1 Å²	38.1	49%	0.491	20%	0.202	S	C	.	.			trans	-106.5	158.4	178.1	-59.6	-179.7	-178.5	179.8	0	111.4	V114 D118 H119	V114-K116 HydrophobicContact CG1-CG 4.23Å; K116-D118 WeakPolarHBondContact CB-OD1 3.49Å; K116-D118 PolarHBondContact O-N 2.93Å; K116-D118 VanDerWaalsContact O-N 3.13Å; K116-H119 PolarHBondContact N-ND1 3.47Å; K116-H119 WeakPolarHBondContact O-CB 3.47Å; K116-H119 PolarHBondContact O-N 2.84Å; K116-H119 VanDerWaalsContact O-N 3.15Å
117	S	94.9	Very high	96.3	Very high	46 Å²	46	39.3 Å²	39.3	32%	0.322	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.8	-178.3	53.4	0	0	0	0	115.2	K121 T142	S117-K121 VanDerWaalsContact O-CE 3.31Å; S117-K121 WeakPolarHBondContact O-CE 3Å; S117-K121 WeakPolarHBondContact O-CG 3.29Å; S117-T142 WeakPolarHBondContact CB-OG1 3.5Å
118	D	95.1	Very high	96.4	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.203	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-6.4	176.1	62	-6.6	0	0	0	113.9	P93 H94 K116	P93-D118 HydrophobicContact CB-CB 4.37Å; P93-D118 WeakPolarHBondContact CB-OD2 3.15Å; P93-D118 VanDerWaalsContact CG-OD2 3.22Å; P93-D118 WeakPolarHBondContact CG-OD2 3.39Å; H94-D118 PolarHBondContact N-O 2.84Å; K116-D118 WeakPolarHBondContact CB-OD1 3.49Å; K116-D118 PolarHBondContact O-N 2.93Å; K116-D118 VanDerWaalsContact O-N 3.13Å
119	H	96.1	Very high	96.4	Very high	14 Å²	14	41 Å²	41	7%	0.065	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-48.8	178.8	-70.8	-173.6	0	0	0	111.4	I91 F96 V114 K116	I91-H119 HydrophobicContact CG2-CB 4.41Å; F96-H119 VanDerWaalsContact CD2-O 3.27Å; F96-H119 WeakPolarHBondContact CD2-O 3.28Å; V114-H119 PolarHBondContact O-CE1 2.85Å; V114-H119 VanDerWaalsContact O-CE1 3.28Å; K116-H119 PolarHBondContact N-ND1 3.47Å; K116-H119 WeakPolarHBondContact O-CB 3.47Å; K116-H119 PolarHBondContact O-N 2.84Å; K116-H119 VanDerWaalsContact O-N 3.15Å
120	F	95.8	Very high	96.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	20%	0.203	C	C	.	.	S	Bend	trans	-98.6	9.2	-170.9	-60.5	-44.9	0	0	0	115.4	F96 L105 I115 G122 L123 L129 L131 F147	F96-F120 HydrophobicContact CD2-CD1 4.12Å; F96-F120 HydrophobicContact CE2-CD1 4.05Å; F96-F120 HydrophobicContact CE2-CE1 4.22Å; L105-F120 HydrophobicContact CD2-CD1 4.39Å; L105-F120 HydrophobicContact CD2-CE1 4.25Å; I115-F120 HydrophobicContact CD1-CE2 4.04Å; I115-F120 HydrophobicContact CD1-CZ 4.19Å; I115-F120 HydrophobicContact CG1-CE2 4.34Å; I115-F120 HydrophobicContact CG1-CZ 4.46Å; I115-F120 HydrophobicContact CG2-CD2 4.07Å; I115-F120 HydrophobicContact CG2-CE2 3.56Å; I115-F120 HydrophobicContact CG2-CZ 4.39Å; F120-G122 PolarHBondContact O-N 3.19Å; F120-L123 HydrophobicContact CB-CD1 4.06Å; F120-L123 HydrophobicContact CD1-CD1 4.03Å; F120-L123 HydrophobicContact CG-CD1 4.42Å; F120-L123 WeakPolarHBondContact O-CB 3.42Å; F120-L123 WeakPolarHBondContact O-CG 3.32Å; F120-L123 PolarHBondContact O-N 2.91Å; F120-L129 HydrophobicContact CE1-CD1 4.45Å; F120-L129 HydrophobicContact CE2-CD2 4.23Å; F120-L129 HydrophobicContact CZ-CD1 4.38Å; F120-L129 HydrophobicContact CZ-CD2 4.43Å; F120-L131 HydrophobicContact CE2-CD1 4.41Å; F120-L131 HydrophobicContact CZ-CD1 4.06Å; F120-L131 HydrophobicContact CZ-CD2 4.24Å; F120-F147 HydrophobicContact CB-CE1 3.96Å; F120-F147 HydrophobicContact CD2-CE1 4.13Å; F120-F147 HydrophobicContact CD2-CZ 4.43Å; F120-F147 HydrophobicContact CG-CE1 4.25Å
121	K	93.9	Very high	96.4	Very high	70 Å²	70	40.4 Å²	40.4	30%	0.304	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	134.3	-178.1	-72.9	-163.8	164.2	-76.4	0	113.3	S117 E146	S117-K121 VanDerWaalsContact O-CE 3.31Å; S117-K121 WeakPolarHBondContact O-CE 3Å; S117-K121 WeakPolarHBondContact O-CG 3.29Å; K121-E146 HydrophobicContact CG-CG 4.17Å; K121-E146 WeakPolarHBondContact CG-OE1 3.02Å; K121-E146 IonicContact NZ-OE1 3.77Å; K121-E146 PolarHBondContact NZ-OE1 2.83Å
122	G	90.8	Very high	96.4	Very high	12 Å²	12	33.7 Å²	33.7	12%	0.124	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-4.4	-177.4	0	0	0	0	0	115.4	F120 V124 E146	F120-G122 PolarHBondContact O-N 3.19Å; G122-V124 PolarHBondContact O-N 3.46Å; G122-E146 PolarHBondContact N-OE2 3.39Å
123	L	95.6	Very high	96.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.			trans	-81.8	41.1	-177.7	-65.9	-176	0	0	0	113.9	F96 L99 L102 L105 F120 N125 L126 F147	F96-L123 HydrophobicContact CB-CD1 4.34Å; F96-L123 HydrophobicContact CB-CD2 3.91Å; F96-L123 HydrophobicContact CB-CG 4.11Å; F96-L123 HydrophobicContact CD2-CD1 4.13Å; F96-L123 HydrophobicContact CG-CD1 4.42Å; L99-L123 HydrophobicContact CB-CD2 3.84Å; L99-L123 HydrophobicContact CD1-CD2 4.48Å; L102-L123 HydrophobicContact CB-CD2 4.2Å; L102-L123 HydrophobicContact CD2-CD2 3.66Å; L105-L123 HydrophobicContact CD2-CD1 3.8Å; F120-L123 HydrophobicContact CB-CD1 4.06Å; F120-L123 HydrophobicContact CD1-CD1 4.03Å; F120-L123 HydrophobicContact CG-CD1 4.42Å; F120-L123 WeakPolarHBondContact O-CB 3.42Å; F120-L123 WeakPolarHBondContact O-CG 3.32Å; F120-L123 PolarHBondContact O-N 2.91Å; L123-N125 PolarHBondContact O-N 3.22Å; L123-L126 HydrophobicContact CB-CB 4.26Å; L123-L126 HydrophobicContact CB-CD2 4.43Å; L123-L126 HydrophobicContact CD1-CD2 4.18Å; L123-L126 VanDerWaalsContact O-CB 3.26Å; L123-L126 WeakPolarHBondContact O-CB 3.45Å; L123-L126 PolarHBondContact O-N 3.13Å; L123-L126 VanDerWaalsContact O-N 3.08Å; L123-F147 HydrophobicContact CB-CD1 4.48Å
124	V	94.2	Very high	96.5	Very high	62 Å²	62	35.9 Å²	35.9	38%	0.376	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.3	-166.1	-61.8	0	0	0	0	116.6	G122 E146 T150	G122-V124 PolarHBondContact O-N 3.46Å; V124-E146 WeakPolarHBondContact CA-O 3.37Å; V124-T150 WeakPolarHBondContact O-CG2 3.03Å; V124-T150 PolarHBondContact O-OG1 3.29Å
125	N	96.3	Very high	96.6	Very high	79 Å²	79	38.7 Å²	38.7	42%	0.422	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	14.7	-179.9	-74.5	-64.1	0	0	0	113.5	R100 L102 L123	R100-N125 PolarHBondContact O-ND2 2.99Å; L102-N125 CarbonylContact O-C 3.56Å; L123-N125 PolarHBondContact O-N 3.22Å
126	L	97.8	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.			trans	-66.5	134.2	-177.7	-166	72.2	0	0	0	111.2	L102 L105 L123 L129 F147 T150 I151	L102-L126 HydrophobicContact CD2-CD1 4.18Å; L102-L126 HydrophobicContact CG-CD1 4.42Å; L102-L126 WeakPolarHBondContact O-CA 3.31Å; L102-L126 PolarHBondContact O-N 2.89Å; L105-L126 HydrophobicContact CB-CD1 3.81Å; L123-L126 HydrophobicContact CB-CB 4.26Å; L123-L126 HydrophobicContact CB-CD2 4.43Å; L123-L126 HydrophobicContact CD1-CD2 4.18Å; L123-L126 VanDerWaalsContact O-CB 3.26Å; L123-L126 WeakPolarHBondContact O-CB 3.45Å; L123-L126 PolarHBondContact O-N 3.13Å; L123-L126 VanDerWaalsContact O-N 3.08Å; L126-L129 HydrophobicContact CD2-CB 3.93Å; L126-L129 HydrophobicContact CD2-CD1 4.25Å; L126-L129 HydrophobicContact CD2-CD2 4.28Å; L126-L129 HydrophobicContact CD2-CG 4.38Å; L126-F147 HydrophobicContact CB-CB 3.93Å; L126-F147 HydrophobicContact CB-CG 4.35Å; L126-F147 HydrophobicContact CD2-CD1 4Å; L126-F147 HydrophobicContact CD2-CE1 4.22Å; L126-F147 HydrophobicContact CD2-CG 4.18Å; L126-T150 CarbonylContact O-C 3.52Å; L126-T150 WeakPolarHBondContact O-CB 3.4Å; L126-T150 VanDerWaalsContact O-O 3.09Å; L126-I151 HydrophobicContact CD2-CD1 4.45Å; L126-I151 HydrophobicContact CG-CD1 4.41Å; L126-I151 WeakPolarHBondContact O-CA 3.3Å; L126-I151 PolarHBondContact O-N 3.28Å
127	R	98.1	Very high	96.6	Very high	88 Å²	88	38 Å²	38	33%	0.332	19%	0.192	S	C	.	.			trans	-118.1	-41	-178.4	-74.6	167.5	172.3	-103.2	-16.7	112	R103 T150 I151 E152 D153	R103-R127 WeakPolarHBondContact O-CA 3.48Å; R103-R127 WeakPolarHBondContact O-CB 3.44Å; R103-R127 PolarHBondContact O-N 2.95Å; R127-T150 WeakPolarHBondContact CG-O 3.25Å; R127-I151 WeakPolarHBondContact O-CD1 3.43Å; R127-E152 HydrophobicContact CB-CB 4.27Å; R127-E152 HydrophobicContact CB-CG 4.48Å; R127-E152 VanDerWaalsContact CD-OE2 3.29Å; R127-E152 WeakPolarHBondContact CD-OE2 3.2Å; R127-E152 HydrophobicContact CG-CG 4.32Å; R127-E152 WeakPolarHBondContact CG-OE2 3.42Å; R127-E152 IonicContact CZ-OE1 3.52Å; R127-E152 VanDerWaalsContact CZ-OE1 3.23Å; R127-E152 IonicContact CZ-OE2 3.26Å; R127-E152 IonicContact NE-OE2 2.71Å; R127-E152 IonicContact NH1-OE1 2.96Å; R127-E152 PolarHBondContact NH1-OE1 3.36Å; R127-E152 IonicContact NH1-OE2 3.64Å; R127-E152 PolarHBondContact NH1-OE2 3.47Å; R127-E152 IonicContact NH2-OE1 2.97Å; R127-E152 PolarHBondContact O-N 3.2Å; R127-D153 PolarHBondContact O-N 2.82Å
128	H	98.5	Very high	96.7	Very high	66 Å²	66	41.3 Å²	41.3	31%	0.306	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.9	178.2	-51.4	-93.9	0	0	0	109.6	R103 A104 L105 D153	R103-H128 PolarHBondContact O-N 2.9Å; A104-H128 WeakPolarHBondContact CA-O 3.43Å; A104-H128 HydrophobicContact CB-CB 4.11Å; L105-H128 PolarHBondContact N-O 2.82Å; H128-D153 WeakPolarHBondContact CA-O 3.33Å; H128-D153 HydrophobicContact CB-CB 4.37Å; H128-D153 IonicContact CE1-OD2 2.7Å; H128-D153 IonicContact CG-OD2 3.23Å; H128-D153 VanDerWaalsContact ND1-CB 3.3Å; H128-D153 WeakPolarHBondContact ND1-CB 3.19Å; H128-D153 IonicContact ND1-OD2 3.75Å; H128-D153 PolarHBondContact ND1-OD2 2.71Å
129	L	98.4	Very high	96.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	103.9	172.9	179	54.8	0	0	0	109.1	L105 F120 L126 L131 F147 I151 D153 L154 D155	L105-L129 HydrophobicContact CB-CD1 4.27Å; L105-L129 HydrophobicContact CD2-CD1 4.09Å; L105-L129 HydrophobicContact CG-CD1 4.23Å; F120-L129 HydrophobicContact CE1-CD1 4.45Å; F120-L129 HydrophobicContact CE2-CD2 4.23Å; F120-L129 HydrophobicContact CZ-CD1 4.38Å; F120-L129 HydrophobicContact CZ-CD2 4.43Å; L126-L129 HydrophobicContact CD2-CB 3.93Å; L126-L129 HydrophobicContact CD2-CD1 4.25Å; L126-L129 HydrophobicContact CD2-CD2 4.28Å; L126-L129 HydrophobicContact CD2-CG 4.38Å; L129-L131 HydrophobicContact CD1-CD1 3.89Å; L129-L131 HydrophobicContact CD1-CD2 4.46Å; L129-L131 HydrophobicContact CD1-CG 3.94Å; L129-L131 HydrophobicContact CD2-CD1 3.87Å; L129-L131 HydrophobicContact CG-CD1 3.7Å; L129-L131 HydrophobicContact CG-CG 4.09Å; L129-F147 HydrophobicContact CD2-CE1 4.15Å; L129-F147 HydrophobicContact CD2-CE2 3.98Å; L129-F147 HydrophobicContact CD2-CZ 3.44Å; L129-F147 VanDerWaalsContact CD2-CZ 3.44Å; L129-I151 HydrophobicContact CB-CD1 3.88Å; L129-D153 PolarHBondContact N-O 3.03Å; L129-L154 HydrophobicContact CB-CD1 4.01Å; L129-L154 HydrophobicContact CD2-CD1 4.02Å; L129-L154 HydrophobicContact CG-CD1 4.07Å; L129-D155 PolarHBondContact O-N 3.1Å
130	I	98.6	Very high	96.9	Very high	22 Å²	22	41 Å²	41	11%	0.113	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	105.6	-173.4	-47.8	-55.3	0	0	0	108.7	L105 H106 M107 D108 D155	L105-I130 PolarHBondContact O-N 2.99Å; H106-I130 HydrophobicContact CB-CB 4.39Å; M107-I130 PolarHBondContact N-O 3.26Å; D108-I130 HydrophobicContact CB-CG2 4.2Å; D108-I130 PolarHBondContact N-O 2.04Å; I130-D155 HydrophobicContact CD1-CB 3.92Å; I130-D155 HydrophobicContact CG2-CB 4.18Å; I130-D155 WeakPolarHBondContact CG2-OD2 3.36Å
131	L	98.1	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.			trans	-120.1	7.1	-175.7	-70.6	160.9	0	0	0	112.6	M107 L112 I115 F120 L129 N134 I136 D155 L156 N159	M107-L131 HydrophobicContact CB-CD2 4.05Å; L112-L131 HydrophobicContact CD1-CD2 3.93Å; I115-L131 HydrophobicContact CD1-CD1 3.77Å; F120-L131 HydrophobicContact CE2-CD1 4.41Å; F120-L131 HydrophobicContact CZ-CD1 4.06Å; F120-L131 HydrophobicContact CZ-CD2 4.24Å; L129-L131 HydrophobicContact CD1-CD1 3.89Å; L129-L131 HydrophobicContact CD1-CD2 4.46Å; L129-L131 HydrophobicContact CD1-CG 3.94Å; L129-L131 HydrophobicContact CD2-CD1 3.87Å; L129-L131 HydrophobicContact CG-CD1 3.7Å; L129-L131 HydrophobicContact CG-CG 4.09Å; L131-N134 PolarHBondContact O-ND2 2.86Å; L131-I136 HydrophobicContact CB-CD1 4.26Å; L131-D155 WeakPolarHBondContact CA-O 3.45Å; L131-D155 WeakPolarHBondContact CB-O 3.45Å; L131-D155 PolarHBondContact N-O 2.79Å; L131-L156 HydrophobicContact CB-CD2 3.99Å; L131-L156 HydrophobicContact CD1-CD2 3.79Å; L131-N159 PolarHBondContact O-ND2 3.27Å
132	G	97.9	Very high	96.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.			trans	-56	154	-178.9	0	0	0	0	0	114.2	D108 G109 N134 D155 S157	D108-G132 CarbonylContact C-O 3.51Å; D108-G132 WeakPolarHBondContact CA-O 3.35Å; D108-G132 WeakPolarHBondContact CB-O 3Å; G109-G132 PolarHBondContact N-O 2.96Å; G132-N134 PolarHBondContact O-ND2 3.3Å; G132-D155 WeakPolarHBondContact CA-OD2 3.39Å; G132-D155 PolarHBondContact N-OD2 3.08Å; G132-S157 CarbonylContact C-O 3.23Å; G132-S157 WeakPolarHBondContact CA-O 3.3Å; G132-S157 VanDerWaalsContact CA-OG 3.29Å; G132-S157 WeakPolarHBondContact CA-OG 3.45Å
133	N	98.3	Very high	97.1	Very high	87 Å²	87	44.2 Å²	44.2	47%	0.465	23%	0.233	S	C	.	.	S	Bend	trans	55.4	57.9	-178.5	-70.7	-97.3	0	0	0	112.3	G109 N110 S157 N158	G109-N133 CarbonylContact C-O 3.12Å; G109-N133 WeakPolarHBondContact CA-O 3.37Å; G109-N133 PolarHBondContact N-O 2.03Å; G109-N133 VanDerWaalsContact N-O 3.12Å; N110-N133 PolarHBondContact N-O 2.85Å; N110-N133 VanDerWaalsContact N-O 3.13Å; N133-S157 PolarHBondContact N-O 2.78Å; N133-N158 WeakPolarHBondContact CA-O 3.49Å; N133-N158 HydrophobicContact CB-CB 4.38Å; N133-N158 PolarHBondContact N-O 2.85Å; N133-N158 PolarHBondContact ND2-OD1 3.29Å; N133-N158 PolarHBondContact OD1-OD1 2.97Å
134	N	98.5	Very high	97.1	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.07	23%	0.233	C	C	.	.	S	Bend	trans	-123.6	-157.6	171.8	-90.2	-85.9	0	0	0	109.4	M107 N110 R111 L112 L131 G132 I136 N158 N159	M107-N134 PolarHBondContact O-ND2 2.79Å; N110-N134 WeakPolarHBondContact CA-OD1 3.48Å; N110-N134 WeakPolarHBondContact CB-OD1 3.42Å; R111-N134 PolarHBondContact N-OD1 2.97Å; L112-N134 HydrophobicContact CB-CB 4.4Å; L112-N134 WeakPolarHBondContact CB-OD1 3.41Å; L112-N134 WeakPolarHBondContact CG-OD1 3.17Å; L112-N134 PolarHBondContact N-OD1 2.96Å; L131-N134 PolarHBondContact O-ND2 2.86Å; G132-N134 PolarHBondContact O-ND2 3.3Å; N134-I136 HydrophobicContact CB-CD1 3.99Å; N134-I136 HydrophobicContact CB-CG1 4.01Å; N134-N158 PolarHBondContact N-O 2.89Å; N134-N159 WeakPolarHBondContact CA-OD1 3.48Å; N134-N159 WeakPolarHBondContact CB-OD1 3.45Å
135	Q	97.6	Very high	97.1	Very high	100 Å²	100	44 Å²	44	47%	0.467	23%	0.23	S	C	.	.			trans	-128.2	23.7	179.6	-59.5	-176.7	-4	0	0	111.4	L112 H137 N159 N160	L112-Q135 CarbonylContact O-C 3.52Å; L112-Q135 VanDerWaalsContact O-CA 3.27Å; L112-Q135 WeakPolarHBondContact O-CA 3.06Å; L112-Q135 PolarHBondContact O-N 3.09Å; Q135-H137 PolarHBondContact O-N 2.85Å; Q135-N159 PolarHBondContact N-OD1 2.83Å; Q135-N160 WeakPolarHBondContact CA-ND2 3.47Å; Q135-N160 PolarHBondContact O-ND2 2.92Å; Q135-N160 VanDerWaalsContact O-ND2 3.12Å
136	I	98.3	Very high	97	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.			trans	-68.9	119.5	-168.8	-55.1	157.1	0	0	0	109	L112 S113 I115 L131 N134 V139 N159 N160 L161	L112-I136 HydrophobicContact CB-CD1 4.49Å; L112-I136 HydrophobicContact CB-CG1 4.01Å; L112-I136 WeakPolarHBondContact O-CG1 3.19Å; L112-I136 PolarHBondContact O-N 2.8Å; L112-I136 VanDerWaalsContact O-N 3.1Å; S113-I136 WeakPolarHBondContact O-CA 3.44Å; I115-I136 HydrophobicContact CD1-CD1 3.74Å; I115-I136 HydrophobicContact CD1-CG1 4.44Å; I115-I136 HydrophobicContact CD1-CG2 4.23Å; I115-I136 HydrophobicContact CG1-CD1 4.33Å; I115-I136 HydrophobicContact CG1-CG2 4.22Å; L131-I136 HydrophobicContact CB-CD1 4.26Å; N134-I136 HydrophobicContact CB-CD1 3.99Å; N134-I136 HydrophobicContact CB-CG1 4.01Å; I136-V139 HydrophobicContact CG2-CG2 4.05Å; I136-N159 WeakPolarHBondContact CB-OD1 3.38Å; I136-N159 WeakPolarHBondContact CD1-OD1 3.12Å; I136-N159 WeakPolarHBondContact CG1-OD1 3.48Å; I136-N159 PolarHBondContact N-OD1 2.8Å; I136-N160 CarbonylContact O-C 3.47Å; I136-N160 VanDerWaalsContact O-CA 3.29Å; I136-N160 WeakPolarHBondContact O-CA 3.12Å; I136-N160 WeakPolarHBondContact O-CB 3.47Å; I136-N160 PolarHBondContact O-N 2.85Å; I136-L161 HydrophobicContact CB-CD2 4.26Å; I136-L161 HydrophobicContact CG2-CD2 3.72Å; I136-L161 PolarHBondContact O-N 2.81Å; I136-L161 VanDerWaalsContact O-N 3.16Å
137	H	97.1	Very high	96.9	Very high	98 Å²	98	42.9 Å²	42.9	45%	0.454	22%	0.222	S	C	.	.			trans	-110.2	-14.6	176.7	60.1	-88	0	0	0	113.3	S113 Q135 N160	S113-H137 PolarHBondContact O-CE1 3.16Å; S113-H137 VanDerWaalsContact O-CE1 3.22Å; S113-H137 PolarHBondContact O-N 3.23Å; S113-H137 PolarHBondContact O-ND1 2.82Å; Q135-H137 PolarHBondContact O-N 2.85Å; H137-N160 WeakPolarHBondContact CA-O 3.08Å; H137-N160 HydrophobicContact CB-CB 3.93Å
138	Q	96.7	Very high	96.8	Very high	117 Å²	117	39.4 Å²	39.4	55%	0.547	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137.1	178.8	-169.7	179.3	18.6	0	0	111.8	V114 I115	V114-Q138 WeakPolarHBondContact CA-O 3.49Å; V114-Q138 HydrophobicContact CG1-CB 4.43Å; I115-Q138 PolarHBondContact N-O 3.35Å
139	V	97.6	Very high	96.6	Very high	17 Å²	17	39.3 Å²	39.3	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.2	173.7	177.9	0	0	0	0	108.1	I115 I136 S143 F144 L161 L164 P165	I115-V139 HydrophobicContact CB-CG1 4.41Å; I115-V139 HydrophobicContact CB-CG2 4.28Å; I115-V139 HydrophobicContact CD1-CG2 4.3Å; I115-V139 HydrophobicContact CG2-CG1 4.24Å; I136-V139 HydrophobicContact CG2-CG2 4.05Å; V139-S143 WeakPolarHBondContact CG1-OG 3.49Å; V139-F144 HydrophobicContact CG1-CE1 3.97Å; V139-F144 HydrophobicContact CG1-CE2 4.3Å; V139-F144 HydrophobicContact CG1-CZ 3.75Å; V139-L161 HydrophobicContact CG2-CD2 3.62Å; V139-L164 HydrophobicContact CB-CD2 4.4Å; V139-L164 HydrophobicContact CG2-CD2 4.04Å; V139-P165 HydrophobicContact CG1-CG 4.09Å
140	A	96.6	Very high	96.6	Very high	29 Å²	29	40.9 Å²	40.9	24%	0.24	23%	0.231	C	C	.	.			trans	-70.8	141.9	176.8	0	0	0	0	0	111.5	I115 T142 S143	I115-A140 WeakPolarHBondContact O-CB 3.42Å; I115-A140 PolarHBondContact O-N 3.08Å; A140-T142 PolarHBondContact O-N 3.16Å; A140-S143 VanDerWaalsContact O-CB 3.23Å; A140-S143 WeakPolarHBondContact O-CB 3.4Å; A140-S143 PolarHBondContact O-N 3.07Å; A140-S143 PolarHBondContact O-OG 2.03Å
141	S	93.9	Very high	96.5	Very high	81 Å²	81	39.9 Å²	39.9	57%	0.566	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-50.1	-51.2	-173.7	50.7	0	0	0	0	113.7	S143	S141-S143 VanDerWaalsContact C-N 3.27Å; S141-S143 PolarHBondContact O-N 3.06Å
142	T	95.2	Very high	96.5	Very high	67 Å²	67	41.9 Å²	41.9	41%	0.411	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-86.5	17.9	-176.4	54.6	0	0	0	0	114.7	S117 A140 D145	S117-T142 WeakPolarHBondContact CB-OG1 3.5Å; A140-T142 PolarHBondContact O-N 3.16Å; T142-D145 WeakPolarHBondContact CA-OD2 3.46Å; T142-D145 VanDerWaalsContact CB-OD2 3.31Å; T142-D145 WeakPolarHBondContact CB-OD2 3.48Å; T142-D145 WeakPolarHBondContact CG2-OD2 3.04Å
143	S	95.8	Very high	96.5	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-78.6	-18.7	-177.2	63.9	0	0	0	0	115.1	V139 A140 S141	V139-S143 WeakPolarHBondContact CG1-OG 3.49Å; A140-S143 VanDerWaalsContact O-CB 3.23Å; A140-S143 WeakPolarHBondContact O-CB 3.4Å; A140-S143 PolarHBondContact O-N 3.07Å; A140-S143 PolarHBondContact O-OG 2.03Å; S141-S143 VanDerWaalsContact C-N 3.27Å; S141-S143 PolarHBondContact O-N 3.06Å
144	F	96.3	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-104.2	-9.2	-179.4	-60.1	-17.7	0	0	0	114	V139 E146 F147 V148 L154 L156 P165 A168 M172	V139-F144 HydrophobicContact CG1-CE1 3.97Å; V139-F144 HydrophobicContact CG1-CE2 4.3Å; V139-F144 HydrophobicContact CG1-CZ 3.75Å; F144-E146 PolarHBondContact O-N 3.15Å; F144-E146 VanDerWaalsContact O-N 3.1Å; F144-F147 HydrophobicContact CB-CE2 3.95Å; F144-F147 HydrophobicContact CB-CZ 4.03Å; F144-F147 HydrophobicContact CD1-CE1 4.47Å; F144-F147 HydrophobicContact CD1-CE2 4.05Å; F144-F147 AromaticContact CD1-CZ 3.52Å; F144-F147 HydrophobicContact CD1-CZ 3.52Å; F144-F147 HydrophobicContact CE1-CZ 4.31Å; F144-F147 HydrophobicContact CG-CE2 4.14Å; F144-F147 HydrophobicContact CG-CZ 4.05Å; F144-F147 PolarHBondContact O-N 3.19Å; F144-V148 PolarHBondContact O-N 3.26Å; F144-L154 HydrophobicContact CE2-CD2 4.33Å; F144-L156 HydrophobicContact CZ-CD1 4.36Å; F144-P165 HydrophobicContact CD2-CG 3.58Å; F144-P165 HydrophobicContact CE2-CG 3.63Å; F144-P165 HydrophobicContact CG-CG 4.4Å; F144-P165 HydrophobicContact CZ-CG 4.49Å; F144-A168 HydrophobicContact CB-CB 4.26Å; F144-M172 HydrophobicContact CB-CE 3.79Å; F144-M172 HydrophobicContact CD2-CE 3.64Å; F144-M172 HydrophobicContact CG-CE 4.02Å
145	D	94.4	Very high	96.5	Very high	57 Å²	57	39.8 Å²	39.8	31%	0.305	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.8	-173.4	-77.4	-48.3	0	0	0	114.7	T142 F147 V148 R171	T142-D145 WeakPolarHBondContact CA-OD2 3.46Å; T142-D145 VanDerWaalsContact CB-OD2 3.31Å; T142-D145 WeakPolarHBondContact CB-OD2 3.48Å; T142-D145 WeakPolarHBondContact CG2-OD2 3.04Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.02Å; D145-V148 WeakPolarHBondContact O-CG1 3.18Å; D145-R171 IonicContact OD1-CZ 2.65Å; D145-R171 VanDerWaalsContact OD1-CZ 3.23Å; D145-R171 IonicContact OD1-NH1 2.65Å; D145-R171 PolarHBondContact OD1-NH1 2.73Å; D145-R171 IonicContact OD1-NH2 3.55Å; D145-R171 PolarHBondContact OD1-NH2 2.71Å
146	E	93.9	Very high	96.6	Very high	56 Å²	56	35 Å²	35	26%	0.262	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.3	-177.4	-60.8	-100.8	153.7	0	0	112.8	K121 G122 V124 F144	K121-E146 HydrophobicContact CG-CG 4.17Å; K121-E146 WeakPolarHBondContact CG-OE1 3.02Å; K121-E146 IonicContact NZ-OE1 3.77Å; K121-E146 PolarHBondContact NZ-OE1 2.83Å; G122-E146 PolarHBondContact N-OE2 3.39Å; V124-E146 WeakPolarHBondContact CA-O 3.37Å; F144-E146 PolarHBondContact O-N 3.15Å; F144-E146 VanDerWaalsContact O-N 3.1Å
147	F	95.6	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	6.4	-175.9	55.4	-104.7	0	0	0	114.1	F120 L123 L126 L129 F144 D145 A149 T150 I151	F120-F147 HydrophobicContact CB-CE1 3.96Å; F120-F147 HydrophobicContact CD2-CE1 4.13Å; F120-F147 HydrophobicContact CD2-CZ 4.43Å; F120-F147 HydrophobicContact CG-CE1 4.25Å; L123-F147 HydrophobicContact CB-CD1 4.48Å; L126-F147 HydrophobicContact CB-CB 3.93Å; L126-F147 HydrophobicContact CB-CG 4.35Å; L126-F147 HydrophobicContact CD2-CD1 4Å; L126-F147 HydrophobicContact CD2-CE1 4.22Å; L126-F147 HydrophobicContact CD2-CG 4.18Å; L129-F147 HydrophobicContact CD2-CE1 4.15Å; L129-F147 HydrophobicContact CD2-CE2 3.98Å; L129-F147 HydrophobicContact CD2-CZ 3.44Å; L129-F147 VanDerWaalsContact CD2-CZ 3.44Å; F144-F147 HydrophobicContact CB-CE2 3.95Å; F144-F147 HydrophobicContact CB-CZ 4.03Å; F144-F147 HydrophobicContact CD1-CE1 4.47Å; F144-F147 HydrophobicContact CD1-CE2 4.05Å; F144-F147 AromaticContact CD1-CZ 3.52Å; F144-F147 HydrophobicContact CD1-CZ 3.52Å; F144-F147 HydrophobicContact CE1-CZ 4.31Å; F144-F147 HydrophobicContact CG-CE2 4.14Å; F144-F147 HydrophobicContact CG-CZ 4.05Å; F144-F147 PolarHBondContact O-N 3.19Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.02Å; F147-A149 PolarHBondContact O-N 3.16Å; F147-A149 VanDerWaalsContact O-N 3.09Å; F147-T150 WeakPolarHBondContact CA-OG1 3.44Å; F147-T150 PolarHBondContact O-N 3.46Å; F147-T150 PolarHBondContact O-OG1 2.78Å; F147-I151 HydrophobicContact CD2-CB 4.06Å; F147-I151 HydrophobicContact CD2-CD1 4.03Å; F147-I151 HydrophobicContact CD2-CG1 4.33Å; F147-I151 HydrophobicContact CE2-CD1 4.27Å; F147-I151 PolarHBondContact O-N 3.14Å
148	V	95.8	Very high	96.6	Very high	15 Å²	15	33.7 Å²	33.7	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-34.6	-179.3	68	0	0	0	0	113.9	F144 D145 A168 R171 M172	F144-V148 PolarHBondContact O-N 3.26Å; D145-V148 WeakPolarHBondContact O-CG1 3.18Å; V148-A168 VanDerWaalsContact CG2-O 3.25Å; V148-A168 WeakPolarHBondContact CG2-O 3.27Å; V148-R171 HydrophobicContact CG2-CB 3.48Å; V148-R171 VanDerWaalsContact CG2-CB 3.48Å; V148-M172 HydrophobicContact CG2-CG 3.98Å; V148-M172 WeakPolarHBondContact O-CA 3.5Å
149	A	94.9	Very high	96.7	Very high	64 Å²	64	28.5 Å²	28.5	53%	0.529	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.4	-179.6	0	0	0	0	0	114	F147 N174	F147-A149 PolarHBondContact O-N 3.16Å; F147-A149 VanDerWaalsContact O-N 3.09Å; A149-N174 PolarHBondContact O-ND2 2.98Å
150	T	96.6	Very high	96.7	Very high	33 Å²	33	31 Å²	31	20%	0.202	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-16.6	-170.8	36.1	0	0	0	0	114.3	V124 L126 R127 F147	V124-T150 WeakPolarHBondContact O-CG2 3.03Å; V124-T150 PolarHBondContact O-OG1 3.29Å; L126-T150 CarbonylContact O-C 3.52Å; L126-T150 WeakPolarHBondContact O-CB 3.4Å; L126-T150 VanDerWaalsContact O-O 3.09Å; R127-T150 WeakPolarHBondContact CG-O 3.25Å; F147-T150 WeakPolarHBondContact CA-OG1 3.44Å; F147-T150 PolarHBondContact O-N 3.46Å; F147-T150 PolarHBondContact O-OG1 2.78Å
151	I	97.8	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.			trans	-66.5	136.5	178.1	-159.7	77.4	0	0	0	112.1	L126 R127 L129 F147 L154 M172 N174 I175	L126-I151 HydrophobicContact CD2-CD1 4.45Å; L126-I151 HydrophobicContact CG-CD1 4.41Å; L126-I151 WeakPolarHBondContact O-CA 3.3Å; L126-I151 PolarHBondContact O-N 3.28Å; R127-I151 WeakPolarHBondContact O-CD1 3.43Å; L129-I151 HydrophobicContact CB-CD1 3.88Å; F147-I151 HydrophobicContact CD2-CB 4.06Å; F147-I151 HydrophobicContact CD2-CD1 4.03Å; F147-I151 HydrophobicContact CD2-CG1 4.33Å; F147-I151 HydrophobicContact CE2-CD1 4.27Å; F147-I151 PolarHBondContact O-N 3.14Å; I151-L154 HydrophobicContact CG1-CB 4.49Å; I151-M172 HydrophobicContact CG2-CB 3.89Å; I151-M172 HydrophobicContact CG2-CE 4.36Å; I151-M172 HydrophobicContact CG2-CG 3.67Å; I151-M172 HydrophobicContact CG2-SD 3.62Å; I151-N174 CarbonylContact O-C 3.15Å; I151-N174 VanDerWaalsContact O-C 3.23Å; I151-N174 WeakPolarHBondContact O-CB 3.3Å; I151-I175 PolarHBondContact O-N 3.22Å
152	E	97.8	Very high	96.9	Very high	43 Å²	43	33.8 Å²	33.8	20%	0.201	18%	0.179	C	C	.	.			trans	-122.8	-19.8	-177	-75.9	174.4	166.1	0	0	111.6	R127 N174 N176 T177	R127-E152 HydrophobicContact CB-CB 4.27Å; R127-E152 HydrophobicContact CB-CG 4.48Å; R127-E152 VanDerWaalsContact CD-OE2 3.29Å; R127-E152 WeakPolarHBondContact CD-OE2 3.2Å; R127-E152 HydrophobicContact CG-CG 4.32Å; R127-E152 WeakPolarHBondContact CG-OE2 3.42Å; R127-E152 IonicContact CZ-OE1 3.52Å; R127-E152 VanDerWaalsContact CZ-OE1 3.23Å; R127-E152 IonicContact CZ-OE2 3.26Å; R127-E152 IonicContact NE-OE2 2.71Å; R127-E152 IonicContact NH1-OE1 2.96Å; R127-E152 PolarHBondContact NH1-OE1 3.36Å; R127-E152 IonicContact NH1-OE2 3.64Å; R127-E152 PolarHBondContact NH1-OE2 3.47Å; R127-E152 IonicContact NH2-OE1 2.97Å; R127-E152 PolarHBondContact O-N 3.2Å; E152-N174 HydrophobicContact CG-CB 4.44Å; E152-N176 WeakPolarHBondContact CB-ND2 3.49Å; E152-N176 PolarHBondContact O-N 3.03Å; E152-N176 PolarHBondContact O-ND2 2.66Å; E152-T177 PolarHBondContact O-N 2.92Å
153	D	98.2	Very high	96.9	Very high	37 Å²	37	33.1 Å²	33.1	20%	0.198	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	117	-170.5	-179.3	24	0	0	0	109.9	R127 H128 L129 T177	R127-D153 PolarHBondContact O-N 2.82Å; H128-D153 WeakPolarHBondContact CA-O 3.33Å; H128-D153 HydrophobicContact CB-CB 4.37Å; H128-D153 IonicContact CE1-OD2 2.7Å; H128-D153 IonicContact CG-OD2 3.23Å; H128-D153 VanDerWaalsContact ND1-CB 3.3Å; H128-D153 WeakPolarHBondContact ND1-CB 3.19Å; H128-D153 IonicContact ND1-OD2 3.75Å; H128-D153 PolarHBondContact ND1-OD2 2.71Å; L129-D153 PolarHBondContact N-O 3.03Å; D153-T177 WeakPolarHBondContact OD1-CB 3.2Å
154	L	98.4	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.6	-178.2	177.9	59.8	0	0	0	110.5	L129 F144 I151 L156 M172 I175 T177 L178 T179	L129-L154 HydrophobicContact CB-CD1 4.01Å; L129-L154 HydrophobicContact CD2-CD1 4.02Å; L129-L154 HydrophobicContact CG-CD1 4.07Å; F144-L154 HydrophobicContact CE2-CD2 4.33Å; I151-L154 HydrophobicContact CG1-CB 4.49Å; L154-L156 HydrophobicContact CD1-CD1 4.24Å; L154-L156 HydrophobicContact CD1-CG 4.21Å; L154-L156 HydrophobicContact CD2-CD1 4.12Å; L154-L156 HydrophobicContact CG-CD1 4.11Å; L154-L156 HydrophobicContact CG-CG 4.37Å; L154-M172 HydrophobicContact CD2-CE 4.38Å; L154-M172 HydrophobicContact CD2-SD 4.24Å; L154-I175 HydrophobicContact CB-CD1 4.07Å; L154-T177 PolarHBondContact N-O 3.23Å; L154-L178 HydrophobicContact CB-CD1 4.11Å; L154-L178 HydrophobicContact CD2-CD1 3.94Å; L154-L178 HydrophobicContact CG-CD1 4.1Å; L154-T179 PolarHBondContact O-N 3.43Å
155	D	98.6	Very high	97	Very high	18 Å²	18	34.3 Å²	34.3	10%	0.096	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.3	176.2	162.2	49.1	0	0	0	111.4	L129 I130 L131 G132 S157 T179	L129-D155 PolarHBondContact O-N 3.1Å; I130-D155 HydrophobicContact CD1-CB 3.92Å; I130-D155 HydrophobicContact CG2-CB 4.18Å; I130-D155 WeakPolarHBondContact CG2-OD2 3.36Å; L131-D155 WeakPolarHBondContact CA-O 3.45Å; L131-D155 WeakPolarHBondContact CB-O 3.45Å; L131-D155 PolarHBondContact N-O 2.79Å; G132-D155 WeakPolarHBondContact CA-OD2 3.39Å; G132-D155 PolarHBondContact N-OD2 3.08Å; D155-S157 WeakPolarHBondContact OD1-CB 3.22Å; D155-S157 PolarHBondContact OD1-N 2.82Å; D155-S157 PolarHBondContact OD1-OG 2.98Å; D155-T179 VanDerWaalsContact CA-OG1 3.29Å; D155-T179 WeakPolarHBondContact CA-OG1 3.34Å; D155-T179 WeakPolarHBondContact CB-OG1 3.43Å; D155-T179 PolarHBondContact OD1-OG1 3.29Å
156	L	98.2	Very high	97	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.			trans	-127.5	17	175.6	-69.4	162.4	0	0	0	111.5	L131 F144 L154 N159 L161 L164 T179 L180 N183	L131-L156 HydrophobicContact CB-CD2 3.99Å; L131-L156 HydrophobicContact CD1-CD2 3.79Å; F144-L156 HydrophobicContact CZ-CD1 4.36Å; L154-L156 HydrophobicContact CD1-CD1 4.24Å; L154-L156 HydrophobicContact CD1-CG 4.21Å; L154-L156 HydrophobicContact CD2-CD1 4.12Å; L154-L156 HydrophobicContact CG-CD1 4.11Å; L154-L156 HydrophobicContact CG-CG 4.37Å; L156-N159 PolarHBondContact O-ND2 2.03Å; L156-N159 VanDerWaalsContact O-ND2 3.16Å; L156-L161 HydrophobicContact CB-CD1 3.87Å; L156-L161 HydrophobicContact CD1-CD1 4.33Å; L156-L161 HydrophobicContact CD2-CD1 4.33Å; L156-L161 HydrophobicContact CG-CD1 4.41Å; L156-L164 HydrophobicContact CD1-CD1 4.23Å; L156-L164 HydrophobicContact CD1-CD2 3.95Å; L156-T179 PolarHBondContact N-O 3.23Å; L156-L180 HydrophobicContact CB-CD2 4.04Å; L156-L180 HydrophobicContact CD1-CD2 3.93Å; L156-N183 PolarHBondContact O-ND2 2.74Å
157	S	98.3	Very high	97.1	Very high	13 Å²	13	36 Å²	36	9%	0.091	19%	0.19	C	C	.	.			trans	-52.5	155.9	-178.8	59.5	0	0	0	0	113.8	G132 N133 D155 N159 T179 D181	G132-S157 CarbonylContact C-O 3.23Å; G132-S157 WeakPolarHBondContact CA-O 3.3Å; G132-S157 VanDerWaalsContact CA-OG 3.29Å; G132-S157 WeakPolarHBondContact CA-OG 3.45Å; N133-S157 PolarHBondContact N-O 2.78Å; D155-S157 WeakPolarHBondContact OD1-CB 3.22Å; D155-S157 PolarHBondContact OD1-N 2.82Å; D155-S157 PolarHBondContact OD1-OG 2.98Å; S157-N159 PolarHBondContact O-N 2.96Å; S157-N159 PolarHBondContact O-ND2 2.85Å; S157-T179 PolarHBondContact N-O 3.41Å; S157-D181 CarbonylContact C-O 3.32Å; S157-D181 WeakPolarHBondContact CA-O 3.44Å; S157-D181 WeakPolarHBondContact CB-OD1 3.44Å
158	N	98.3	Very high	97.1	Very high	57 Å²	57	36.1 Å²	36.1	31%	0.305	19%	0.192	S	C	.	.	S	Bend	trans	47.7	59.6	173.9	-52.7	123	0	0	0	112.9	N133 N134 D181 H182	N133-N158 WeakPolarHBondContact CA-O 3.49Å; N133-N158 HydrophobicContact CB-CB 4.38Å; N133-N158 PolarHBondContact N-O 2.85Å; N133-N158 PolarHBondContact ND2-OD1 3.29Å; N133-N158 PolarHBondContact OD1-OD1 2.97Å; N134-N158 PolarHBondContact N-O 2.89Å; N158-D181 PolarHBondContact N-O 3.05Å; N158-H182 VanDerWaalsContact CA-O 3.28Å; N158-H182 WeakPolarHBondContact CA-O 3.36Å; N158-H182 HydrophobicContact CB-CB 4.45Å; N158-H182 WeakPolarHBondContact ND2-CB 3.4Å; N158-H182 VanDerWaalsContact ND2-CG 3.3Å
159	N	98.6	Very high	97.1	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.043	19%	0.187	C	C	.	.	S	Bend	trans	-133.7	-171.5	179.8	-89.7	-79.5	0	0	0	110.5	L131 N134 Q135 I136 L156 S157 L161 H182 N183	L131-N159 PolarHBondContact O-ND2 3.27Å; N134-N159 WeakPolarHBondContact CA-OD1 3.48Å; N134-N159 WeakPolarHBondContact CB-OD1 3.45Å; Q135-N159 PolarHBondContact N-OD1 2.83Å; I136-N159 WeakPolarHBondContact CB-OD1 3.38Å; I136-N159 WeakPolarHBondContact CD1-OD1 3.12Å; I136-N159 WeakPolarHBondContact CG1-OD1 3.48Å; I136-N159 PolarHBondContact N-OD1 2.8Å; L156-N159 PolarHBondContact O-ND2 2.03Å; L156-N159 VanDerWaalsContact O-ND2 3.16Å; S157-N159 PolarHBondContact O-N 2.96Å; S157-N159 PolarHBondContact O-ND2 2.85Å; N159-L161 HydrophobicContact CB-CD1 4.41Å; N159-L161 HydrophobicContact CB-CG 4.23Å; N159-H182 PolarHBondContact N-O 3.43Å; N159-H182 VanDerWaalsContact N-O 3.12Å; N159-N183 WeakPolarHBondContact CA-OD1 3.37Å; N159-N183 WeakPolarHBondContact CB-OD1 3.3Å; N159-N183 PolarHBondContact O-OD1 2.81Å
160	N	98.1	Very high	97.1	Very high	71 Å²	71	33.4 Å²	33.4	38%	0.38	17%	0.17	S	C	.	.			trans	-112.3	22.1	-177.6	-62.3	-57.7	0	0	0	112.5	Q135 I136 H137 R162 N183 L184	Q135-N160 WeakPolarHBondContact CA-ND2 3.47Å; Q135-N160 PolarHBondContact O-ND2 2.92Å; Q135-N160 VanDerWaalsContact O-ND2 3.12Å; I136-N160 CarbonylContact O-C 3.47Å; I136-N160 VanDerWaalsContact O-CA 3.29Å; I136-N160 WeakPolarHBondContact O-CA 3.12Å; I136-N160 WeakPolarHBondContact O-CB 3.47Å; I136-N160 PolarHBondContact O-N 2.85Å; H137-N160 WeakPolarHBondContact CA-O 3.08Å; H137-N160 HydrophobicContact CB-CB 3.93Å; N160-R162 PolarHBondContact O-N 3.43Å; N160-N183 PolarHBondContact N-OD1 3.39Å; N160-L184 HydrophobicContact CB-CD1 4.42Å
161	L	98.1	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.			trans	-67.3	127.4	-170.6	-63.1	166.4	0	0	0	110.9	I136 V139 L156 N159 L164 N183 L184 I185	I136-L161 HydrophobicContact CB-CD2 4.26Å; I136-L161 HydrophobicContact CG2-CD2 3.72Å; I136-L161 PolarHBondContact O-N 2.81Å; I136-L161 VanDerWaalsContact O-N 3.16Å; V139-L161 HydrophobicContact CG2-CD2 3.62Å; L156-L161 HydrophobicContact CB-CD1 3.87Å; L156-L161 HydrophobicContact CD1-CD1 4.33Å; L156-L161 HydrophobicContact CD2-CD1 4.33Å; L156-L161 HydrophobicContact CG-CD1 4.41Å; N159-L161 HydrophobicContact CB-CD1 4.41Å; N159-L161 HydrophobicContact CB-CG 4.23Å; L161-L164 HydrophobicContact CD1-CD2 4.04Å; L161-L164 HydrophobicContact CD1-CG 4.48Å; L161-L164 HydrophobicContact CD2-CD2 4.32Å; L161-N183 HydrophobicContact CB-CB 4.39Å; L161-N183 VanDerWaalsContact CB-OD1 3.23Å; L161-N183 WeakPolarHBondContact CB-OD1 3.3Å; L161-N183 WeakPolarHBondContact CD1-OD1 3.47Å; L161-N183 VanDerWaalsContact CG-OD1 3.3Å; L161-N183 WeakPolarHBondContact CG-OD1 3.37Å; L161-N183 PolarHBondContact N-OD1 3.06Å; L161-L184 CarbonylContact O-C 3.56Å; L161-L184 WeakPolarHBondContact O-CA 3.46Å; L161-L184 WeakPolarHBondContact O-CB 3.12Å; L161-L184 PolarHBondContact O-N 2.72Å; L161-I185 HydrophobicContact CB-CG1 4.3Å; L161-I185 WeakPolarHBondContact O-CG1 3.46Å; L161-I185 PolarHBondContact O-N 2.59Å; L161-I185 VanDerWaalsContact O-N 3.08Å
162	R	96.1	Very high	97	Very high	167 Å²	167	37.3 Å²	37.3	63%	0.63	18%	0.181	S	C	*	.	S	Bend	trans	-92.8	-35	169.9	-64	-173.4	-176.7	-169.3	-0.1	113	N160 L184 I185 D186	N160-R162 PolarHBondContact O-N 3.43Å; R162-L184 HydrophobicContact CG-CB 4.22Å; R162-I185 VanDerWaalsContact O-CA 3.31Å; R162-I185 WeakPolarHBondContact O-CA 3.49Å; R162-D186 PolarHBondContact O-N 3.05Å; R162-D186 VanDerWaalsContact O-OD1 3.08Å
163	S	96	Very high	96.8	Very high	54 Å²	54	38.3 Å²	38.3	38%	0.378	19%	0.191	S	C	.	.			trans	-149.6	165.7	176.9	62	0	0	0	0	110.5
164	L	96.7	Very high	96.7	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.058	19%	0.192	C	C	.	.			trans	-131.9	162.4	-177.8	-79.5	170.5	0	0	0	110.5	V139 L156 L161 W166 I169 L180 I185	V139-L164 HydrophobicContact CB-CD2 4.4Å; V139-L164 HydrophobicContact CG2-CD2 4.04Å; L156-L164 HydrophobicContact CD1-CD1 4.23Å; L156-L164 HydrophobicContact CD1-CD2 3.95Å; L161-L164 HydrophobicContact CD1-CD2 4.04Å; L161-L164 HydrophobicContact CD1-CG 4.48Å; L161-L164 HydrophobicContact CD2-CD2 4.32Å; L164-W166 HydrophobicContact CB-CD2 4.19Å; L164-W166 HydrophobicContact CB-CE3 4.1Å; L164-W166 HydrophobicContact CB-CH2 4.01Å; L164-W166 HydrophobicContact CB-CZ2 4.09Å; L164-W166 HydrophobicContact CB-CZ3 4.01Å; L164-W166 HydrophobicContact CD1-CH2 3.99Å; L164-W166 HydrophobicContact CD1-CZ3 4.07Å; L164-W166 HydrophobicContact CG-CH2 4.45Å; L164-W166 PolarHBondContact O-N 3.13Å; L164-I169 HydrophobicContact CB-CD1 3.86Å; L164-I169 HydrophobicContact CD1-CD1 4.03Å; L164-I169 HydrophobicContact CG-CD1 4.45Å; L164-L180 HydrophobicContact CD1-CD1 4.04Å; L164-L180 HydrophobicContact CD1-CD2 3.6Å; L164-L180 HydrophobicContact CD1-CG 4.45Å; L164-I185 HydrophobicContact CD1-CD1 4.05Å
165	P	96.4	Very high	96.6	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.104	19%	0.192	C	C	.	.			trans	-73	77.6	172.7	32.3	-36.6	0	0	0	110.5	V139 F144 E167 A168 I169	V139-P165 HydrophobicContact CG1-CG 4.09Å; F144-P165 HydrophobicContact CD2-CG 3.58Å; F144-P165 HydrophobicContact CE2-CG 3.63Å; F144-P165 HydrophobicContact CG-CG 4.4Å; F144-P165 HydrophobicContact CZ-CG 4.49Å; P165-E167 VanDerWaalsContact C-N 3.33Å; P165-E167 PolarHBondContact O-N 2.68Å; P165-A168 HydrophobicContact CB-CB 4.08Å; P165-A168 HydrophobicContact CG-CB 4.36Å; P165-A168 WeakPolarHBondContact O-CA 3.27Å; P165-A168 WeakPolarHBondContact O-CB 3.21Å; P165-A168 PolarHBondContact O-N 2.89Å; P165-I169 PolarHBondContact O-N 2.93Å; P165-I169 VanDerWaalsContact O-N 3.08Å
166	W	95.7	Very high	96.4	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-41	-175	-57.9	125.2	0	0	0	112.7	L164 A168 I169 A170 L180 I185 Y187 I188 E189 T192	L164-W166 HydrophobicContact CB-CD2 4.19Å; L164-W166 HydrophobicContact CB-CE3 4.1Å; L164-W166 HydrophobicContact CB-CH2 4.01Å; L164-W166 HydrophobicContact CB-CZ2 4.09Å; L164-W166 HydrophobicContact CB-CZ3 4.01Å; L164-W166 HydrophobicContact CD1-CH2 3.99Å; L164-W166 HydrophobicContact CD1-CZ3 4.07Å; L164-W166 HydrophobicContact CG-CH2 4.45Å; L164-W166 PolarHBondContact O-N 3.13Å; W166-A168 PolarHBondContact O-N 2.95Å; W166-I169 HydrophobicContact CE3-CD1 3.85Å; W166-I169 HydrophobicContact CZ3-CD1 4.02Å; W166-I169 PolarHBondContact O-N 2.86Å; W166-A170 WeakPolarHBondContact O-CB 3.35Å; W166-A170 PolarHBondContact O-N 2.95Å; W166-L180 HydrophobicContact CH2-CD1 4.33Å; W166-L180 HydrophobicContact CZ3-CD1 4.27Å; W166-I185 HydrophobicContact CH2-CD1 4.39Å; W166-I185 HydrophobicContact CH2-CG2 4.03Å; W166-I185 HydrophobicContact CZ2-CG2 3.75Å; W166-Y187 AromaticContact CD1-CE2 3.86Å; W166-Y187 WeakPolarHBondContact CZ2-O 3.09Å; W166-Y187 AromaticContact NE1-CE2 3.6Å; W166-Y187 AromaticContact NE1-CZ 3.96Å; W166-I188 HydrophobicContact CE3-CG2 4.48Å; W166-I188 HydrophobicContact CH2-CG1 3.97Å; W166-I188 HydrophobicContact CZ2-CB 4.5Å; W166-I188 HydrophobicContact CZ2-CG1 4.12Å; W166-I188 HydrophobicContact CZ3-CG2 4.41Å; W166-E189 HydrophobicContact CB-CB 3.7Å; W166-E189 WeakPolarHBondContact CB-OE2 3.43Å; W166-E189 HydrophobicContact CG-CB 3.79Å; W166-T192 HydrophobicContact CE3-CG2 4.07Å
167	E	94.6	Very high	96.3	Very high	143 Å²	143	42.2 Å²	42.2	67%	0.668	21%	0.213	S	C	*	.	H	α-helix	trans	-51	-40.5	170.7	-66.3	-172.5	144.7	0	0	113.2	P165 R171	P165-E167 VanDerWaalsContact C-N 3.33Å; P165-E167 PolarHBondContact O-N 2.68Å; E167-R171 VanDerWaalsContact O-CD 3.3Å; E167-R171 WeakPolarHBondContact O-CD 3.34Å
168	A	95.8	Very high	96.3	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-75.3	-37.3	179.2	0	0	0	0	0	111.3	F144 V148 P165 W166 R171 M172	F144-A168 HydrophobicContact CB-CB 4.26Å; V148-A168 VanDerWaalsContact CG2-O 3.25Å; V148-A168 WeakPolarHBondContact CG2-O 3.27Å; P165-A168 HydrophobicContact CB-CB 4.08Å; P165-A168 HydrophobicContact CG-CB 4.36Å; P165-A168 WeakPolarHBondContact O-CA 3.27Å; P165-A168 WeakPolarHBondContact O-CB 3.21Å; P165-A168 PolarHBondContact O-N 2.89Å; W166-A168 PolarHBondContact O-N 2.95Å; A168-R171 PolarHBondContact O-N 2.98Å; A168-M172 WeakPolarHBondContact O-CG 3.18Å
169	I	96.2	Very high	96.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-42.9	176.4	-65.7	171.5	0	0	0	110.9	L164 P165 W166 R171 M172 L178 T192 L196	L164-I169 HydrophobicContact CB-CD1 3.86Å; L164-I169 HydrophobicContact CD1-CD1 4.03Å; L164-I169 HydrophobicContact CG-CD1 4.45Å; P165-I169 PolarHBondContact O-N 2.93Å; P165-I169 VanDerWaalsContact O-N 3.08Å; W166-I169 HydrophobicContact CE3-CD1 3.85Å; W166-I169 HydrophobicContact CZ3-CD1 4.02Å; W166-I169 PolarHBondContact O-N 2.86Å; I169-R171 PolarHBondContact O-N 2.89Å; I169-R171 VanDerWaalsContact O-N 3.09Å; I169-M172 HydrophobicContact CG1-CE 4.22Å; I169-M172 HydrophobicContact CG1-SD 4.34Å; I169-M172 VanDerWaalsContact O-CB 3.27Å; I169-M172 WeakPolarHBondContact O-CB 3.44Å; I169-M172 WeakPolarHBondContact O-CG 3.2Å; I169-M172 PolarHBondContact O-N 2.76Å; I169-L178 HydrophobicContact CG2-CD2 4.06Å; I169-T192 HydrophobicContact CB-CG2 4.36Å; I169-T192 HydrophobicContact CG2-CG2 3.98Å; I169-L196 HydrophobicContact CG2-CD1 4.5Å
170	A	95.3	Very high	96.2	Very high	21 Å²	21	39.5 Å²	39.5	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-22.4	177.7	0	0	0	0	0	113.8	W166 T192	W166-A170 WeakPolarHBondContact O-CB 3.35Å; W166-A170 PolarHBondContact O-N 2.95Å; A170-T192 WeakPolarHBondContact CA-O 3.16Å
171	R	95.4	Very high	96.2	Very high	115 Å²	115	37 Å²	37	43%	0.434	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-6.2	175.9	-75.8	159.1	49	-137.2	0.1	113.8	D145 V148 E167 A168 I169 T173	D145-R171 IonicContact OD1-CZ 2.65Å; D145-R171 VanDerWaalsContact OD1-CZ 3.23Å; D145-R171 IonicContact OD1-NH1 2.65Å; D145-R171 PolarHBondContact OD1-NH1 2.73Å; D145-R171 IonicContact OD1-NH2 3.55Å; D145-R171 PolarHBondContact OD1-NH2 2.71Å; V148-R171 HydrophobicContact CG2-CB 3.48Å; V148-R171 VanDerWaalsContact CG2-CB 3.48Å; E167-R171 VanDerWaalsContact O-CD 3.3Å; E167-R171 WeakPolarHBondContact O-CD 3.34Å; A168-R171 PolarHBondContact O-N 2.98Å; I169-R171 PolarHBondContact O-N 2.89Å; I169-R171 VanDerWaalsContact O-N 3.09Å; R171-T173 PolarHBondContact O-N 3.33Å
172	M	95.8	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.			trans	-79.1	57.4	-175.8	-61.3	-179.6	178.4	0	0	113.5	F144 V148 I151 L154 A168 I169 N174 I175 L196	F144-M172 HydrophobicContact CB-CE 3.79Å; F144-M172 HydrophobicContact CD2-CE 3.64Å; F144-M172 HydrophobicContact CG-CE 4.02Å; V148-M172 HydrophobicContact CG2-CG 3.98Å; V148-M172 WeakPolarHBondContact O-CA 3.5Å; I151-M172 HydrophobicContact CG2-CB 3.89Å; I151-M172 HydrophobicContact CG2-CE 4.36Å; I151-M172 HydrophobicContact CG2-CG 3.67Å; I151-M172 HydrophobicContact CG2-SD 3.62Å; L154-M172 HydrophobicContact CD2-CE 4.38Å; L154-M172 HydrophobicContact CD2-SD 4.24Å; A168-M172 WeakPolarHBondContact O-CG 3.18Å; I169-M172 HydrophobicContact CG1-CE 4.22Å; I169-M172 HydrophobicContact CG1-SD 4.34Å; I169-M172 VanDerWaalsContact O-CB 3.27Å; I169-M172 WeakPolarHBondContact O-CB 3.44Å; I169-M172 WeakPolarHBondContact O-CG 3.2Å; I169-M172 PolarHBondContact O-N 2.76Å; M172-N174 PolarHBondContact O-N 2.97Å; M172-I175 HydrophobicContact CB-CB 4.14Å; M172-I175 HydrophobicContact CB-CG2 4.18Å; M172-I175 WeakPolarHBondContact O-CB 3.39Å; M172-I175 WeakPolarHBondContact O-CG2 3.5Å; M172-I175 PolarHBondContact O-N 3.23Å; M172-I175 HydrophobicContact SD-CD1 4.25Å; M172-L196 HydrophobicContact CB-CD2 4.45Å
173	T	93.7	Very high	96.3	Very high	64 Å²	64	33.6 Å²	33.6	39%	0.393	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-2.4	-174.4	57.3	0	0	0	0	116.2	R171 L195	R171-T173 PolarHBondContact O-N 3.33Å; T173-L195 HydrophobicContact CG2-CB 4.41Å
174	N	95.8	Very high	96.4	Very high	44 Å²	44	33.8 Å²	33.8	24%	0.235	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-2.6	174.3	-76.3	-46.4	0	0	0	114.6	A149 I151 E152 M172 N176 K198	A149-N174 PolarHBondContact O-ND2 2.98Å; I151-N174 CarbonylContact O-C 3.15Å; I151-N174 VanDerWaalsContact O-C 3.23Å; I151-N174 WeakPolarHBondContact O-CB 3.3Å; E152-N174 HydrophobicContact CG-CB 4.44Å; M172-N174 PolarHBondContact O-N 2.97Å; N174-N176 PolarHBondContact O-ND2 3.06Å; N174-K198 PolarHBondContact OD1-NZ 3.21Å
175	I	96.3	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.			trans	-69.5	133.2	-176.8	-161.4	167.7	0	0	0	112.4	I151 L154 M172 T177 L178 L196 K198 L199	I151-I175 PolarHBondContact O-N 3.22Å; L154-I175 HydrophobicContact CB-CD1 4.07Å; M172-I175 HydrophobicContact CB-CB 4.14Å; M172-I175 HydrophobicContact CB-CG2 4.18Å; M172-I175 WeakPolarHBondContact O-CB 3.39Å; M172-I175 WeakPolarHBondContact O-CG2 3.5Å; M172-I175 PolarHBondContact O-N 3.23Å; M172-I175 HydrophobicContact SD-CD1 4.25Å; I175-T177 WeakPolarHBondContact CG1-O 3.5Å; I175-L178 HydrophobicContact CD1-CB 3.93Å; I175-L178 HydrophobicContact CD1-CD1 4.12Å; I175-L178 HydrophobicContact CD1-CG 4.42Å; I175-L196 HydrophobicContact CG2-CB 4.24Å; I175-L196 HydrophobicContact CG2-CD1 4.03Å; I175-L196 HydrophobicContact CG2-CD2 4.02Å; I175-L196 HydrophobicContact CG2-CG 4.32Å; I175-K198 CarbonylContact O-C 3.49Å; I175-L199 HydrophobicContact CG1-CD1 4.44Å; I175-L199 HydrophobicContact CG2-CD1 4.1Å; I175-L199 PolarHBondContact O-N 3.33Å
176	N	95.1	Very high	96.4	Very high	55 Å²	55	35.9 Å²	35.9	29%	0.294	18%	0.183	S	C	.	.			trans	-112.5	-33	177.6	-43.9	-82.6	0	0	0	111.1	E152 N174 V200 R201	E152-N176 WeakPolarHBondContact CB-ND2 3.49Å; E152-N176 PolarHBondContact O-N 3.03Å; E152-N176 PolarHBondContact O-ND2 2.66Å; N174-N176 PolarHBondContact O-ND2 3.06Å; N176-V200 PolarHBondContact O-N 2.9Å; N176-R201 PolarHBondContact O-N 2.85Å
177	T	96.6	Very high	96.4	Very high	39 Å²	39	41.4 Å²	41.4	24%	0.239	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.8	177.9	-61.3	0	0	0	0	110.3	E152 D153 L154 I175 T179 R201	E152-T177 PolarHBondContact O-N 2.92Å; D153-T177 WeakPolarHBondContact OD1-CB 3.2Å; L154-T177 PolarHBondContact N-O 3.23Å; I175-T177 WeakPolarHBondContact CG1-O 3.5Å; T177-T179 HydrophobicContact CG2-CG2 4.04Å; T177-R201 HydrophobicContact CG2-CB 4.31Å
178	L	97.6	Very high	96.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	112.9	170.2	-178.9	56	0	0	0	108.8	L154 I169 I175 L180 F193 L199 R201 L202 D203	L154-L178 HydrophobicContact CB-CD1 4.11Å; L154-L178 HydrophobicContact CD2-CD1 3.94Å; L154-L178 HydrophobicContact CG-CD1 4.1Å; I169-L178 HydrophobicContact CG2-CD2 4.06Å; I175-L178 HydrophobicContact CD1-CB 3.93Å; I175-L178 HydrophobicContact CD1-CD1 4.12Å; I175-L178 HydrophobicContact CD1-CG 4.42Å; L178-L180 HydrophobicContact CD1-CD1 4.49Å; L178-L180 HydrophobicContact CD1-CD2 3.8Å; L178-L180 HydrophobicContact CD1-CG 4.09Å; L178-L180 HydrophobicContact CD2-CD1 4.29Å; L178-L180 HydrophobicContact CG-CD1 4.23Å; L178-L180 HydrophobicContact CG-CD2 4.32Å; L178-L180 HydrophobicContact CG-CG 4.03Å; L178-F193 HydrophobicContact CD2-CE1 4.3Å; L178-L199 HydrophobicContact CB-CD1 4.02Å; L178-R201 PolarHBondContact N-O 2.89Å; L178-L202 HydrophobicContact CB-CD1 4.11Å; L178-L202 HydrophobicContact CD2-CD1 3.93Å; L178-L202 HydrophobicContact CG-CD1 4.06Å; L178-L202 WeakPolarHBondContact O-CA 3.4Å; L178-D203 PolarHBondContact O-N 2.8Å
179	T	98.1	Very high	96.4	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.8	177.8	49.5	0	0	0	0	110.9	L154 D155 L156 S157 T177 D203	L154-T179 PolarHBondContact O-N 3.43Å; D155-T179 VanDerWaalsContact CA-OG1 3.29Å; D155-T179 WeakPolarHBondContact CA-OG1 3.34Å; D155-T179 WeakPolarHBondContact CB-OG1 3.43Å; D155-T179 PolarHBondContact OD1-OG1 3.29Å; L156-T179 PolarHBondContact N-O 3.23Å; S157-T179 PolarHBondContact N-O 3.41Å; T177-T179 HydrophobicContact CG2-CG2 4.04Å; T179-D203 HydrophobicContact CG2-CB 3.92Å
180	L	97.9	Very high	96.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.225	C	C	.	.			trans	-121.7	11.7	-175.9	-56.6	-178.5	0	0	0	111.8	L156 L164 W166 L178 N183 I185 D203 N207	L156-L180 HydrophobicContact CB-CD2 4.04Å; L156-L180 HydrophobicContact CD1-CD2 3.93Å; L164-L180 HydrophobicContact CD1-CD1 4.04Å; L164-L180 HydrophobicContact CD1-CD2 3.6Å; L164-L180 HydrophobicContact CD1-CG 4.45Å; W166-L180 HydrophobicContact CH2-CD1 4.33Å; W166-L180 HydrophobicContact CZ3-CD1 4.27Å; L178-L180 HydrophobicContact CD1-CD1 4.49Å; L178-L180 HydrophobicContact CD1-CD2 3.8Å; L178-L180 HydrophobicContact CD1-CG 4.09Å; L178-L180 HydrophobicContact CD2-CD1 4.29Å; L178-L180 HydrophobicContact CG-CD1 4.23Å; L178-L180 HydrophobicContact CG-CD2 4.32Å; L178-L180 HydrophobicContact CG-CG 4.03Å; L180-N183 PolarHBondContact O-ND2 2.97Å; L180-I185 HydrophobicContact CB-CD1 4.05Å; L180-I185 HydrophobicContact CD1-CD1 4.19Å; L180-D203 WeakPolarHBondContact CA-O 3.47Å; L180-D203 WeakPolarHBondContact CB-O 3.34Å; L180-D203 PolarHBondContact N-O 3Å; L180-N207 PolarHBondContact O-ND2 3.43Å
181	D	97.6	Very high	96	Very high	19 Å²	19	43.4 Å²	43.4	10%	0.102	23%	0.231	C	C	.	.			trans	-63.5	158.2	-172.8	63.8	-79	0	0	0	113.3	S157 N158 N183 T205	S157-D181 CarbonylContact C-O 3.32Å; S157-D181 WeakPolarHBondContact CA-O 3.44Å; S157-D181 WeakPolarHBondContact CB-OD1 3.44Å; N158-D181 PolarHBondContact N-O 3.05Å; D181-N183 PolarHBondContact O-N 3.03Å; D181-N183 PolarHBondContact O-ND2 3.07Å; D181-T205 CarbonylContact C-O 3.17Å; D181-T205 WeakPolarHBondContact CA-O 3.08Å; D181-T205 VanDerWaalsContact CB-OG1 3.28Å; D181-T205 WeakPolarHBondContact CB-OG1 3.34Å
182	H	98.3	Very high	95.9	Very high	88 Å²	88	38.1 Å²	38.1	41%	0.407	21%	0.212	S	C	.	.	S	Bend	trans	51.4	55.3	177.9	-59.9	91.1	0	0	0	112.6	N158 N159 T205 S206	N158-H182 VanDerWaalsContact CA-O 3.28Å; N158-H182 WeakPolarHBondContact CA-O 3.36Å; N158-H182 HydrophobicContact CB-CB 4.45Å; N158-H182 WeakPolarHBondContact ND2-CB 3.4Å; N158-H182 VanDerWaalsContact ND2-CG 3.3Å; N159-H182 PolarHBondContact N-O 3.43Å; N159-H182 VanDerWaalsContact N-O 3.12Å; H182-T205 PolarHBondContact N-O 3.2Å; H182-S206 VanDerWaalsContact CA-O 3.27Å; H182-S206 WeakPolarHBondContact CA-O 3.02Å; H182-S206 VanDerWaalsContact CD2-CB 3.44Å; H182-S206 WeakPolarHBondContact CD2-CB 3.29Å; H182-S206 PolarHBondContact N-O 2.92Å; H182-S206 PolarHBondContact NE2-OG 3.27Å
183	N	98.6	Very high	95.7	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-128.1	-165.8	177.9	-89.8	-83.2	0	0	0	110.1	L156 N159 N160 L161 L180 D181 I185 S206 N207	L156-N183 PolarHBondContact O-ND2 2.74Å; N159-N183 WeakPolarHBondContact CA-OD1 3.37Å; N159-N183 WeakPolarHBondContact CB-OD1 3.3Å; N159-N183 PolarHBondContact O-OD1 2.81Å; N160-N183 PolarHBondContact N-OD1 3.39Å; L161-N183 HydrophobicContact CB-CB 4.39Å; L161-N183 VanDerWaalsContact CB-OD1 3.23Å; L161-N183 WeakPolarHBondContact CB-OD1 3.3Å; L161-N183 WeakPolarHBondContact CD1-OD1 3.47Å; L161-N183 VanDerWaalsContact CG-OD1 3.3Å; L161-N183 WeakPolarHBondContact CG-OD1 3.37Å; L161-N183 PolarHBondContact N-OD1 3.06Å; L180-N183 PolarHBondContact O-ND2 2.97Å; D181-N183 PolarHBondContact O-N 3.03Å; D181-N183 PolarHBondContact O-ND2 3.07Å; N183-I185 HydrophobicContact CB-CD1 4.37Å; N183-I185 HydrophobicContact CB-CG1 4.16Å; N183-S206 PolarHBondContact N-O 2.84Å; N183-N207 WeakPolarHBondContact CA-OD1 3.31Å; N183-N207 WeakPolarHBondContact CB-OD1 3.44Å
184	L	98.1	Very high	95.5	Very high	58 Å²	58	38.4 Å²	38.4	30%	0.304	21%	0.213	S	C	.	.			trans	-120.1	25.1	-178.8	-61.6	174.6	0	0	0	111.9	N160 L161 R162 D186 N207 R208	N160-L184 HydrophobicContact CB-CD1 4.42Å; L161-L184 CarbonylContact O-C 3.56Å; L161-L184 WeakPolarHBondContact O-CA 3.46Å; L161-L184 WeakPolarHBondContact O-CB 3.12Å; L161-L184 PolarHBondContact O-N 2.72Å; R162-L184 HydrophobicContact CG-CB 4.22Å; L184-D186 PolarHBondContact O-N 3.14Å; L184-N207 PolarHBondContact N-OD1 2.86Å; L184-R208 HydrophobicContact CB-CG 4.32Å; L184-R208 HydrophobicContact CD2-CG 4.27Å
185	I	98.1	Very high	95.2	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	23%	0.228	C	C	.	.			trans	-69.8	122	-170.5	-57.3	171.3	0	0	0	109.9	L161 R162 L164 W166 L180 N183 Y187 N207 R208 L209	L161-I185 HydrophobicContact CB-CG1 4.3Å; L161-I185 WeakPolarHBondContact O-CG1 3.46Å; L161-I185 PolarHBondContact O-N 2.59Å; L161-I185 VanDerWaalsContact O-N 3.08Å; R162-I185 VanDerWaalsContact O-CA 3.31Å; R162-I185 WeakPolarHBondContact O-CA 3.49Å; L164-I185 HydrophobicContact CD1-CD1 4.05Å; W166-I185 HydrophobicContact CH2-CD1 4.39Å; W166-I185 HydrophobicContact CH2-CG2 4.03Å; W166-I185 HydrophobicContact CZ2-CG2 3.75Å; L180-I185 HydrophobicContact CB-CD1 4.05Å; L180-I185 HydrophobicContact CD1-CD1 4.19Å; N183-I185 HydrophobicContact CB-CD1 4.37Å; N183-I185 HydrophobicContact CB-CG1 4.16Å; I185-Y187 WeakPolarHBondContact CG2-O 3.42Å; I185-N207 VanDerWaalsContact CB-OD1 3.29Å; I185-N207 WeakPolarHBondContact CB-OD1 3.23Å; I185-N207 WeakPolarHBondContact CG1-OD1 3.5Å; I185-N207 PolarHBondContact N-OD1 2.88Å; I185-R208 CarbonylContact O-C 3.18Å; I185-R208 WeakPolarHBondContact O-CA 3.27Å; I185-R208 WeakPolarHBondContact O-CB 3.35Å; I185-R208 PolarHBondContact O-N 3.49Å; I185-L209 HydrophobicContact CB-CD2 4.42Å; I185-L209 HydrophobicContact CG2-CD2 3.92Å; I185-L209 WeakPolarHBondContact O-CD2 3.39Å; I185-L209 PolarHBondContact O-N 3.4Å
186	D	94.8	Very high	95	Very high	68 Å²	68	41.2 Å²	41.2	36%	0.364	23%	0.228	S	C	.	.			trans	-96.9	-35.2	-172.1	48.5	15	0	0	0	113.7	R162 L184 R208	R162-D186 PolarHBondContact O-N 3.05Å; R162-D186 VanDerWaalsContact O-OD1 3.08Å; L184-D186 PolarHBondContact O-N 3.14Å; D186-R208 HydrophobicContact CB-CB 4.3Å
187	Y	95.1	Very high	94.6	Very high	121 Å²	121	44.4 Å²	44.4	48%	0.475	25%	0.25	S	C	.	.			trans	-136.7	160.6	172.4	77.9	-83.7	0	0	0	113	W166 I185	W166-Y187 AromaticContact CD1-CE2 3.86Å; W166-Y187 WeakPolarHBondContact CZ2-O 3.09Å; W166-Y187 AromaticContact NE1-CE2 3.6Å; W166-Y187 AromaticContact NE1-CZ 3.96Å; I185-Y187 WeakPolarHBondContact CG2-O 3.42Å
188	I	95.4	Very high	94.4	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.072	26%	0.258	C	S	.	.			trans	-122.8	135.4	168.1	-60.6	168.5	0	0	0	107.5	W166 F193 M204 L209 L212 P213	W166-I188 HydrophobicContact CE3-CG2 4.48Å; W166-I188 HydrophobicContact CH2-CG1 3.97Å; W166-I188 HydrophobicContact CZ2-CB 4.5Å; W166-I188 HydrophobicContact CZ2-CG1 4.12Å; W166-I188 HydrophobicContact CZ3-CG2 4.41Å; I188-F193 HydrophobicContact CD1-CE2 4.33Å; I188-F193 HydrophobicContact CD1-CZ 4.23Å; I188-F193 HydrophobicContact CG2-CE2 3.91Å; I188-F193 HydrophobicContact CG2-CZ 3.82Å; I188-M204 HydrophobicContact CD1-SD 3.43Å; I188-M204 WeakPolarHBondContact CD1-SD 3.16Å; I188-L209 HydrophobicContact CD1-CD1 3.91Å; I188-L209 HydrophobicContact CD1-CD2 4Å; I188-L209 HydrophobicContact CG1-CD2 3.81Å; I188-L212 HydrophobicContact CD1-CD2 3.89Å; I188-P213 HydrophobicContact CB-CG 4.3Å; I188-P213 HydrophobicContact CG2-CG 4.2Å
189	E	94.3	Very high	94.1	Very high	88 Å²	88	47.8 Å²	47.8	41%	0.411	26%	0.261	S	S	.	.			trans	-70.5	134.9	-179.6	-169.6	172.7	163.8	0	0	111.7	W166 G191 T192	W166-E189 HydrophobicContact CB-CB 3.7Å; W166-E189 WeakPolarHBondContact CB-OE2 3.43Å; W166-E189 HydrophobicContact CG-CB 3.79Å; E189-G191 PolarHBondContact O-N 3.02Å; E189-T192 WeakPolarHBondContact O-CB 3.49Å; E189-T192 PolarHBondContact O-N 2.71Å; E189-T192 PolarHBondContact O-OG1 3.46Å
190	A	91.9	Very high	93.8	Very high	79 Å²	79	50.7 Å²	50.7	65%	0.653	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	133.9	-178.1	0	0	0	0	0	111.2	P213	A190-P213 HydrophobicContact CB-CB 4.09Å
191	G	90.8	Very high	93.6	Very high	29 Å²	29	54.9 Å²	54.9	30%	0.299	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-7.5	-177.1	0	0	0	0	0	115.3	E189 F193 T194	E189-G191 PolarHBondContact O-N 3.02Å; G191-F193 PolarHBondContact O-N 3.41Å; G191-F193 VanDerWaalsContact O-N 3.13Å; G191-T194 PolarHBondContact O-N 3.32Å; G191-T194 PolarHBondContact O-OG1 3.21Å
192	T	93.8	Very high	93.5	Very high	4 Å²	4	54 Å²	54	3%	0.025	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.2	-177.1	-61.8	0	0	0	0	113.7	W166 I169 A170 E189	W166-T192 HydrophobicContact CE3-CG2 4.07Å; I169-T192 HydrophobicContact CB-CG2 4.36Å; I169-T192 HydrophobicContact CG2-CG2 3.98Å; A170-T192 WeakPolarHBondContact CA-O 3.16Å; E189-T192 WeakPolarHBondContact O-CB 3.49Å; E189-T192 PolarHBondContact O-N 2.71Å; E189-T192 PolarHBondContact O-OG1 3.46Å
193	F	91.7	Very high	93.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-13.4	-172.9	-50.7	-49.1	0	0	0	113.9	L178 I188 G191 L195 L196 L202 M204 D215 L217 F218	L178-F193 HydrophobicContact CD2-CE1 4.3Å; I188-F193 HydrophobicContact CD1-CE2 4.33Å; I188-F193 HydrophobicContact CD1-CZ 4.23Å; I188-F193 HydrophobicContact CG2-CE2 3.91Å; I188-F193 HydrophobicContact CG2-CZ 3.82Å; G191-F193 PolarHBondContact O-N 3.41Å; G191-F193 VanDerWaalsContact O-N 3.13Å; F193-L195 VanDerWaalsContact C-N 3.26Å; F193-L195 PolarHBondContact O-N 2.87Å; F193-L196 HydrophobicContact CD1-CD1 3.86Å; F193-L196 WeakPolarHBondContact O-CB 3.37Å; F193-L196 PolarHBondContact O-N 3.39Å; F193-L202 HydrophobicContact CD2-CD2 4.25Å; F193-L202 HydrophobicContact CE1-CD1 4.34Å; F193-L202 HydrophobicContact CE1-CD2 4.26Å; F193-L202 HydrophobicContact CE2-CD2 3.94Å; F193-L202 HydrophobicContact CZ-CD1 4.34Å; F193-L202 HydrophobicContact CZ-CD2 3.94Å; F193-M204 HydrophobicContact CE2-SD 4.38Å; F193-M204 HydrophobicContact CZ-SD 4.14Å; F193-D215 WeakPolarHBondContact CA-OD2 3.46Å; F193-D215 WeakPolarHBondContact CB-OD2 3.28Å; F193-D215 PolarHBondContact N-OD2 3.5Å; F193-L217 HydrophobicContact CB-CB 4Å; F193-L217 HydrophobicContact CB-CD1 4.18Å; F193-L217 HydrophobicContact CB-CD2 4.01Å; F193-L217 HydrophobicContact CB-CG 4.25Å; F193-L217 HydrophobicContact CG-CD2 4.36Å; F193-F218 HydrophobicContact CD2-CE2 4.08Å; F193-F218 AromaticContact CD2-CZ 3.8Å; F193-F218 HydrophobicContact CD2-CZ 3.8Å; F193-F218 AromaticContact CE2-CZ 3.91Å; F193-F218 HydrophobicContact CE2-CZ 3.91Å
194	T	89.5	Confident	93.2	Very high	68 Å²	68	50.2 Å²	50.2	42%	0.417	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33.3	-175.6	57.8	0	0	0	0	115.9	G191 D215	G191-T194 PolarHBondContact O-N 3.32Å; G191-T194 PolarHBondContact O-OG1 3.21Å; T194-D215 WeakPolarHBondContact CG2-OD2 3.2Å; T194-D215 PolarHBondContact N-OD1 3.45Å; T194-D215 PolarHBondContact N-OD2 3.16Å
195	L	90.2	Very high	93.2	Very high	102 Å²	102	48.9 Å²	48.9	53%	0.534	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.7	-179.5	-60.7	-178.3	0	0	0	113.6	T173 F193 T197	T173-L195 HydrophobicContact CG2-CB 4.41Å; F193-L195 VanDerWaalsContact C-N 3.26Å; F193-L195 PolarHBondContact O-N 2.87Å; L195-T197 PolarHBondContact O-N 3.31Å
196	L	91.1	Very high	93.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.281	C	S	.	.			trans	-84.9	49.8	-172.1	-49.9	-172.2	0	0	0	112	I169 M172 I175 F193 K198 L199	I169-L196 HydrophobicContact CG2-CD1 4.5Å; M172-L196 HydrophobicContact CB-CD2 4.45Å; I175-L196 HydrophobicContact CG2-CB 4.24Å; I175-L196 HydrophobicContact CG2-CD1 4.03Å; I175-L196 HydrophobicContact CG2-CD2 4.02Å; I175-L196 HydrophobicContact CG2-CG 4.32Å; F193-L196 HydrophobicContact CD1-CD1 3.86Å; F193-L196 WeakPolarHBondContact O-CB 3.37Å; F193-L196 PolarHBondContact O-N 3.39Å; L196-K198 PolarHBondContact O-N 3.42Å; L196-L199 HydrophobicContact CB-CB 4.3Å; L196-L199 VanDerWaalsContact O-CB 3.3Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.4Å
197	T	87.8	Confident	93.3	Very high	123 Å²	123	48 Å²	48	76%	0.755	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-5.3	-174.6	54.7	0	0	0	0	116.2	L195	L195-T197 PolarHBondContact O-N 3.31Å
198	K	91.8	Very high	93.4	Very high	97 Å²	97	49.3 Å²	49.3	42%	0.422	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-2.4	175.9	-60.9	-173.3	-171.8	176.4	0	114.1	N174 I175 L196 V200	N174-K198 PolarHBondContact OD1-NZ 3.21Å; I175-K198 CarbonylContact O-C 3.49Å; L196-K198 PolarHBondContact O-N 3.42Å; K198-V200 PolarHBondContact O-N 2.98Å
199	L	92.2	Very high	93.5	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.063	27%	0.267	C	S	.	.			trans	-65	126	-176.8	-165.5	69.6	0	0	0	110.1	I175 L178 L196 R201 L202 L217 L235	I175-L199 HydrophobicContact CG1-CD1 4.44Å; I175-L199 HydrophobicContact CG2-CD1 4.1Å; I175-L199 PolarHBondContact O-N 3.33Å; L178-L199 HydrophobicContact CB-CD1 4.02Å; L196-L199 HydrophobicContact CB-CB 4.3Å; L196-L199 VanDerWaalsContact O-CB 3.3Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.4Å; L199-R201 WeakPolarHBondContact CD1-O 3.31Å; L199-L202 HydrophobicContact CD2-CB 3.94Å; L199-L202 HydrophobicContact CD2-CD2 4.3Å; L199-L202 HydrophobicContact CD2-CG 4.49Å; L199-L217 HydrophobicContact CB-CD1 4.08Å; L199-L217 HydrophobicContact CD2-CD1 3.87Å; L199-L217 HydrophobicContact CD2-CD2 4.07Å; L199-L235 HydrophobicContact CG-CD1 4.31Å
200	V	91.6	Very high	93.5	Very high	80 Å²	80	49.7 Å²	49.7	49%	0.485	27%	0.271	S	S	.	.			trans	-113.5	-29.8	-179.4	168.6	0	0	0	0	110.8	N176 K198 L235 V236	N176-V200 PolarHBondContact O-N 2.9Å; K198-V200 PolarHBondContact O-N 2.98Å; V200-L235 WeakPolarHBondContact O-CA 3.43Å; V200-V236 PolarHBondContact O-N 2.96Å
201	R	93.3	Very high	93.7	Very high	89 Å²	89	50 Å²	50	34%	0.336	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128	171.6	-174.7	178	-174.1	80.2	4.7	111.9	N176 T177 L178 L199 D203 V236	N176-R201 PolarHBondContact O-N 2.85Å; T177-R201 HydrophobicContact CG2-CB 4.31Å; L178-R201 PolarHBondContact N-O 2.89Å; L199-R201 WeakPolarHBondContact CD1-O 3.31Å; R201-D203 IonicContact CZ-OD2 3.16Å; R201-D203 IonicContact NE-OD2 3.75Å; R201-D203 IonicContact NH2-OD2 2.81Å; R201-D203 PolarHBondContact NH2-OD2 2.94Å; R201-V236 WeakPolarHBondContact CA-O 3.43Å
202	L	95.1	Very high	93.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	110.1	167.3	179.4	56.4	0	0	0	109.3	L178 F193 L199 M204 L217 F218 V236 V237 S238	L178-L202 HydrophobicContact CB-CD1 4.11Å; L178-L202 HydrophobicContact CD2-CD1 3.93Å; L178-L202 HydrophobicContact CG-CD1 4.06Å; L178-L202 WeakPolarHBondContact O-CA 3.4Å; F193-L202 HydrophobicContact CD2-CD2 4.25Å; F193-L202 HydrophobicContact CE1-CD1 4.34Å; F193-L202 HydrophobicContact CE1-CD2 4.26Å; F193-L202 HydrophobicContact CE2-CD2 3.94Å; F193-L202 HydrophobicContact CZ-CD1 4.34Å; F193-L202 HydrophobicContact CZ-CD2 3.94Å; L199-L202 HydrophobicContact CD2-CB 3.94Å; L199-L202 HydrophobicContact CD2-CD2 4.3Å; L199-L202 HydrophobicContact CD2-CG 4.49Å; L202-M204 HydrophobicContact CD1-CG 3.91Å; L202-M204 HydrophobicContact CD1-SD 4.01Å; L202-M204 HydrophobicContact CD2-CE 3.82Å; L202-M204 HydrophobicContact CD2-SD 3.93Å; L202-M204 HydrophobicContact CG-CE 4.03Å; L202-M204 HydrophobicContact CG-CG 4.01Å; L202-M204 HydrophobicContact CG-SD 3.94Å; L202-L217 HydrophobicContact CD2-CD2 3.98Å; L202-F218 HydrophobicContact CD2-CE1 4.15Å; L202-F218 HydrophobicContact CD2-CZ 4.45Å; L202-V236 PolarHBondContact N-O 3.45Å; L202-V237 HydrophobicContact CB-CG1 4.35Å; L202-V237 HydrophobicContact CB-CG2 4.37Å; L202-V237 HydrophobicContact CD2-CG1 4.29Å; L202-V237 HydrophobicContact CG-CG1 4.38Å; L202-V237 WeakPolarHBondContact O-CA 3.39Å; L202-S238 PolarHBondContact O-N 2.85Å
203	D	95.9	Very high	93.7	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.08	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.6	175.3	-152.1	-35.2	0	0	0	110.6	L178 T179 L180 R201 T205	L178-D203 PolarHBondContact O-N 2.8Å; T179-D203 HydrophobicContact CG2-CB 3.92Å; L180-D203 WeakPolarHBondContact CA-O 3.47Å; L180-D203 WeakPolarHBondContact CB-O 3.34Å; L180-D203 PolarHBondContact N-O 3Å; R201-D203 IonicContact CZ-OD2 3.16Å; R201-D203 IonicContact NE-OD2 3.75Å; R201-D203 IonicContact NH2-OD2 2.81Å; R201-D203 PolarHBondContact NH2-OD2 2.94Å; D203-T205 WeakPolarHBondContact OD1-CB 3.34Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.44Å; D203-T205 PolarHBondContact OD1-N 3.02Å; D203-T205 VanDerWaalsContact OD1-N 3.14Å; D203-T205 PolarHBondContact OD1-OG1 2.89Å
204	M	95.9	Very high	93.7	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.277	C	S	.	.			trans	-131.5	16.2	-179	-57.3	-179.5	-63	0	0	110.9	I188 F193 L202 N207 L209 L212 F218 V237 S238 F239 N242	I188-M204 HydrophobicContact CD1-SD 3.43Å; I188-M204 WeakPolarHBondContact CD1-SD 3.16Å; F193-M204 HydrophobicContact CE2-SD 4.38Å; F193-M204 HydrophobicContact CZ-SD 4.14Å; L202-M204 HydrophobicContact CD1-CG 3.91Å; L202-M204 HydrophobicContact CD1-SD 4.01Å; L202-M204 HydrophobicContact CD2-CE 3.82Å; L202-M204 HydrophobicContact CD2-SD 3.93Å; L202-M204 HydrophobicContact CG-CE 4.03Å; L202-M204 HydrophobicContact CG-CG 4.01Å; L202-M204 HydrophobicContact CG-SD 3.94Å; M204-N207 PolarHBondContact O-ND2 2.67Å; M204-L209 HydrophobicContact CB-CD1 4.16Å; M204-L212 HydrophobicContact CE-CD1 4.34Å; M204-L212 HydrophobicContact CE-CD2 3.89Å; M204-L212 HydrophobicContact SD-CD2 4.47Å; M204-F218 HydrophobicContact CE-CE1 4.27Å; M204-F218 HydrophobicContact CE-CZ 4.43Å; M204-V237 HydrophobicContact CE-CG1 4.13Å; M204-S238 PolarHBondContact N-O 2.84Å; M204-F239 HydrophobicContact CE-CB 4.27Å; M204-N242 PolarHBondContact O-ND2 2.87Å
205	T	96.3	Very high	93.7	Very high	29 Å²	29	50.9 Å²	50.9	18%	0.178	26%	0.259	C	S	.	.			trans	-61.7	153.2	-176.6	51.8	0	0	0	0	112.6	D181 H182 D203 N207 G240	D181-T205 CarbonylContact C-O 3.17Å; D181-T205 WeakPolarHBondContact CA-O 3.08Å; D181-T205 VanDerWaalsContact CB-OG1 3.28Å; D181-T205 WeakPolarHBondContact CB-OG1 3.34Å; H182-T205 PolarHBondContact N-O 3.2Å; D203-T205 WeakPolarHBondContact OD1-CB 3.34Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.44Å; D203-T205 PolarHBondContact OD1-N 3.02Å; D203-T205 VanDerWaalsContact OD1-N 3.14Å; D203-T205 PolarHBondContact OD1-OG1 2.89Å; T205-N207 PolarHBondContact O-N 2.87Å; T205-N207 PolarHBondContact O-ND2 3.42Å; T205-N207 VanDerWaalsContact O-ND2 3.12Å; T205-G240 CarbonylContact C-O 3.53Å; T205-G240 WeakPolarHBondContact CA-O 3.38Å; T205-G240 WeakPolarHBondContact CB-O 3.49Å
206	S	97.1	Very high	93.3	Very high	45 Å²	45	48.7 Å²	48.7	32%	0.315	25%	0.252	S	S	.	.	S	Bend	trans	52.3	54.9	176.6	-60.5	0	0	0	0	114	H182 N183 G240	H182-S206 VanDerWaalsContact CA-O 3.27Å; H182-S206 WeakPolarHBondContact CA-O 3.02Å; H182-S206 VanDerWaalsContact CD2-CB 3.44Å; H182-S206 WeakPolarHBondContact CD2-CB 3.29Å; H182-S206 PolarHBondContact N-O 2.92Å; H182-S206 PolarHBondContact NE2-OG 3.27Å; N183-S206 PolarHBondContact N-O 2.84Å; S206-G240 PolarHBondContact N-O 3.25Å
207	N	98.4	Very high	93	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.043	26%	0.255	C	S	.	.	S	Bend	trans	-118.9	-162.2	177.2	-92.7	-81	0	0	0	111.5	L180 N183 L184 I185 M204 T205 L209 N242 P243	L180-N207 PolarHBondContact O-ND2 3.43Å; N183-N207 WeakPolarHBondContact CA-OD1 3.31Å; N183-N207 WeakPolarHBondContact CB-OD1 3.44Å; L184-N207 PolarHBondContact N-OD1 2.86Å; I185-N207 VanDerWaalsContact CB-OD1 3.29Å; I185-N207 WeakPolarHBondContact CB-OD1 3.23Å; I185-N207 WeakPolarHBondContact CG1-OD1 3.5Å; I185-N207 PolarHBondContact N-OD1 2.88Å; M204-N207 PolarHBondContact O-ND2 2.67Å; T205-N207 PolarHBondContact O-N 2.87Å; T205-N207 PolarHBondContact O-ND2 3.42Å; T205-N207 VanDerWaalsContact O-ND2 3.12Å; N207-L209 HydrophobicContact CB-CD1 4.44Å; N207-L209 HydrophobicContact CB-CG 4.17Å; N207-N242 WeakPolarHBondContact CA-OD1 3.19Å; N207-N242 WeakPolarHBondContact CB-OD1 3.43Å; N207-N242 PolarHBondContact N-OD1 3.32Å; N207-N242 PolarHBondContact O-OD1 2.93Å; N207-P243 WeakPolarHBondContact O-CD 3.46Å
208	R	97.6	Very high	92.8	Very high	148 Å²	148	43.5 Å²	43.5	56%	0.558	22%	0.22	S	C	*	.			trans	-111.3	16.7	178	-65.9	-70.4	179.7	167.7	-3.5	112.9	L184 I185 D186 Q210 N242	L184-R208 HydrophobicContact CB-CG 4.32Å; L184-R208 HydrophobicContact CD2-CG 4.27Å; I185-R208 CarbonylContact O-C 3.18Å; I185-R208 WeakPolarHBondContact O-CA 3.27Å; I185-R208 WeakPolarHBondContact O-CB 3.35Å; I185-R208 PolarHBondContact O-N 3.49Å; D186-R208 HydrophobicContact CB-CB 4.3Å; R208-Q210 PolarHBondContact O-N 3.33Å; R208-N242 PolarHBondContact N-OD1 2.81Å
209	L	96.9	Very high	92.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.228	C	C	.	.			trans	-66.2	116.9	-173.7	-58	171.6	0	0	0	110.6	I185 I188 M204 N207 L212 N242	I185-L209 HydrophobicContact CB-CD2 4.42Å; I185-L209 HydrophobicContact CG2-CD2 3.92Å; I185-L209 WeakPolarHBondContact O-CD2 3.39Å; I185-L209 PolarHBondContact O-N 3.4Å; I188-L209 HydrophobicContact CD1-CD1 3.91Å; I188-L209 HydrophobicContact CD1-CD2 4Å; I188-L209 HydrophobicContact CG1-CD2 3.81Å; M204-L209 HydrophobicContact CB-CD1 4.16Å; N207-L209 HydrophobicContact CB-CD1 4.44Å; N207-L209 HydrophobicContact CB-CG 4.17Å; L209-L212 HydrophobicContact CD1-CD2 3.9Å; L209-N242 HydrophobicContact CB-CB 4.24Å; L209-N242 VanDerWaalsContact CB-OD1 3.3Å; L209-N242 WeakPolarHBondContact CB-OD1 3.36Å; L209-N242 WeakPolarHBondContact CG-OD1 3.33Å; L209-N242 PolarHBondContact N-OD1 3.34Å
210	Q	95.8	Very high	91.2	Very high	108 Å²	108	50.1 Å²	50.1	51%	0.505	25%	0.252	S	S	.	.	S	Bend	trans	-81.6	-30.2	172.7	-68.4	177.8	65	0	0	111.5	R208 F244 H245	R208-Q210 PolarHBondContact O-N 3.33Å; Q210-F244 WeakPolarHBondContact O-CA 3.34Å; Q210-H245 HydrophobicContact CB-CB 4.09Å; Q210-H245 PolarHBondContact O-N 3.07Å
211	K	94.4	Very high	90.1	Very high	87 Å²	87	46.4 Å²	46.4	38%	0.378	23%	0.229	S	C	.	.			trans	-148.4	162.1	177	60.5	-174.6	171.8	-174.6	0	111.8	E249 L250	K211-E249 HydrophobicContact CD-CB 4.34Å; K211-E249 WeakPolarHBondContact CD-OE2 3.5Å; K211-E249 WeakPolarHBondContact CE-OE2 3.29Å; K211-E249 IonicContact NZ-OE1 2.8Å; K211-E249 PolarHBondContact NZ-OE1 2.7Å; K211-E249 IonicContact NZ-OE2 2.8Å; K211-E249 PolarHBondContact NZ-OE2 2.94Å; K211-L250 HydrophobicContact CB-CD2 4.12Å; K211-L250 HydrophobicContact CB-CG 4.4Å
212	L	93.8	Very high	88.9	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.224	C	C	.	.			trans	-111.6	135.5	170.6	-68.7	178	0	0	0	109.5	I188 M204 L209 F239 F244 W252 L253	I188-L212 HydrophobicContact CD1-CD2 3.89Å; M204-L212 HydrophobicContact CE-CD1 4.34Å; M204-L212 HydrophobicContact CE-CD2 3.89Å; M204-L212 HydrophobicContact SD-CD2 4.47Å; L209-L212 HydrophobicContact CD1-CD2 3.9Å; L212-F239 HydrophobicContact CD1-CB 4.22Å; L212-F239 HydrophobicContact CD1-CD1 3.77Å; L212-F239 HydrophobicContact CD1-CD2 4.31Å; L212-F239 HydrophobicContact CD1-CE1 4.23Å; L212-F239 HydrophobicContact CD1-CG 3.84Å; L212-F244 HydrophobicContact CG-CE1 4.27Å; L212-W252 HydrophobicContact CB-CZ2 3.99Å; L212-W252 WeakPolarHBondContact O-CZ2 3.16Å; L212-W252 PolarHBondContact O-NE1 2.87Å; L212-L253 HydrophobicContact CD1-CD2 4.03Å
213	P	92.5	Very high	87.3	Confident	17 Å²	17	47 Å²	47	11%	0.11	24%	0.239	C	C	.	.			trans	-67.8	141.1	174.3	28.5	-33.5	0	0	0	110.5	I188 A190 D215 W252	I188-P213 HydrophobicContact CB-CG 4.3Å; I188-P213 HydrophobicContact CG2-CG 4.2Å; A190-P213 HydrophobicContact CB-CB 4.09Å; P213-D215 PolarHBondContact O-N 3.42Å; P213-W252 WeakPolarHBondContact O-CZ2 3.47Å
214	P	90.7	Very high	85.3	Confident	92 Å²	92	51.5 Å²	51.5	60%	0.597	26%	0.263	S	S	*	.			trans	-61.2	125.3	170.6	-14.9	25.7	0	0	0	110.5	W252	P214-W252 HydrophobicContact CB-CD2 4.08Å; P214-W252 HydrophobicContact CB-CG 4.22Å; P214-W252 HydrophobicContact CG-CD2 4.35Å; P214-W252 HydrophobicContact CG-CG 4.17Å
215	D	88.7	Confident	83.1	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.048	30%	0.299	C	S	.	.			trans	-140.3	146.1	177.9	-160	-59.1	0	0	0	109.7	F193 T194 P213 L217 F218	F193-D215 WeakPolarHBondContact CA-OD2 3.46Å; F193-D215 WeakPolarHBondContact CB-OD2 3.28Å; F193-D215 PolarHBondContact N-OD2 3.5Å; T194-D215 WeakPolarHBondContact CG2-OD2 3.2Å; T194-D215 PolarHBondContact N-OD1 3.45Å; T194-D215 PolarHBondContact N-OD2 3.16Å; P213-D215 PolarHBondContact O-N 3.42Å; D215-L217 HydrophobicContact CB-CB 4.44Å; D215-L217 PolarHBondContact O-N 3.17Å; D215-L217 WeakPolarHBondContact OD1-CB 3.21Å; D215-L217 PolarHBondContact OD1-N 3.25Å; D215-F218 HydrophobicContact CB-CD2 3.65Å; D215-F218 HydrophobicContact CB-CE2 3.67Å; D215-F218 PolarHBondContact O-N 2.62Å
216	S	82.9	Confident	80.7	Confident	55 Å²	55	61.6 Å²	61.6	39%	0.385	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-65.7	-23.2	177.2	56	0	0	0	0	112.1	F218 Q219 H220	S216-F218 VanDerWaalsContact C-N 3.28Å; S216-F218 PolarHBondContact O-N 2.87Å; S216-Q219 WeakPolarHBondContact O-CB 3.36Å; S216-Q219 PolarHBondContact O-N 2.95Å; S216-H220 PolarHBondContact O-ND1 3.27Å
217	L	84.4	Confident	78.4	Confident	13 Å²	13	64.4 Å²	64.4	7%	0.068	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-50.9	-46.9	171.9	-173	108.3	0	0	0	112	F193 L199 L202 D215 Q219 H220 L235	F193-L217 HydrophobicContact CB-CB 4Å; F193-L217 HydrophobicContact CB-CD1 4.18Å; F193-L217 HydrophobicContact CB-CD2 4.01Å; F193-L217 HydrophobicContact CB-CG 4.25Å; F193-L217 HydrophobicContact CG-CD2 4.36Å; L199-L217 HydrophobicContact CB-CD1 4.08Å; L199-L217 HydrophobicContact CD2-CD1 3.87Å; L199-L217 HydrophobicContact CD2-CD2 4.07Å; L202-L217 HydrophobicContact CD2-CD2 3.98Å; D215-L217 HydrophobicContact CB-CB 4.44Å; D215-L217 PolarHBondContact O-N 3.17Å; D215-L217 WeakPolarHBondContact OD1-CB 3.21Å; D215-L217 PolarHBondContact OD1-N 3.25Å; L217-Q219 VanDerWaalsContact C-N 3.26Å; L217-Q219 PolarHBondContact O-N 2.87Å; L217-H220 PolarHBondContact O-N 2.77Å; L217-H220 VanDerWaalsContact O-N 3.16Å; L217-L235 HydrophobicContact CD1-CD2 4.23Å; L217-L235 HydrophobicContact CD2-CD2 3.81Å; L217-L235 HydrophobicContact CG-CD2 3.61Å; L217-L235 WeakPolarHBondContact O-CD2 3.33Å
218	F	82.9	Confident	76.4	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.009	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-70.4	-18.9	-175.8	-58.1	-69	0	0	0	113.9	F193 L202 M204 D215 S216 H220 A221 V237 W252 L256	F193-F218 HydrophobicContact CD2-CE2 4.08Å; F193-F218 AromaticContact CD2-CZ 3.8Å; F193-F218 HydrophobicContact CD2-CZ 3.8Å; F193-F218 AromaticContact CE2-CZ 3.91Å; F193-F218 HydrophobicContact CE2-CZ 3.91Å; L202-F218 HydrophobicContact CD2-CE1 4.15Å; L202-F218 HydrophobicContact CD2-CZ 4.45Å; M204-F218 HydrophobicContact CE-CE1 4.27Å; M204-F218 HydrophobicContact CE-CZ 4.43Å; D215-F218 HydrophobicContact CB-CD2 3.65Å; D215-F218 HydrophobicContact CB-CE2 3.67Å; D215-F218 PolarHBondContact O-N 2.62Å; S216-F218 VanDerWaalsContact C-N 3.28Å; S216-F218 PolarHBondContact O-N 2.87Å; F218-H220 VanDerWaalsContact C-N 3.3Å; F218-H220 PolarHBondContact O-N 3.08Å; F218-A221 WeakPolarHBondContact O-CB 3.45Å; F218-A221 PolarHBondContact O-N 3.41Å; F218-A221 VanDerWaalsContact O-N 3.16Å; F218-V237 HydrophobicContact CD1-CG1 4.19Å; F218-V237 HydrophobicContact CD1-CG2 4.21Å; F218-V237 HydrophobicContact CE1-CG1 3.89Å; F218-V237 HydrophobicContact CE1-CG2 4.46Å; F218-W252 HydrophobicContact CB-CH2 4.04Å; F218-W252 HydrophobicContact CB-CZ3 3.75Å; F218-W252 AromaticContact CD2-CH2 3.41Å; F218-W252 HydrophobicContact CD2-CH2 3.41Å; F218-W252 VanDerWaalsContact CD2-CH2 3.41Å; F218-W252 HydrophobicContact CD2-CZ2 4.43Å; F218-W252 AromaticContact CD2-CZ3 3.91Å; F218-W252 HydrophobicContact CD2-CZ3 3.91Å; F218-W252 AromaticContact CE2-CH2 3.98Å; F218-W252 HydrophobicContact CE2-CH2 3.98Å; F218-W252 AromaticContact CG-CH2 3.81Å; F218-W252 HydrophobicContact CG-CH2 3.81Å; F218-W252 HydrophobicContact CG-CZ3 4.06Å; F218-L256 HydrophobicContact CB-CD1 4.14Å
219	Q	77.3	Confident	74.3	Confident	125 Å²	125	70.2 Å²	70.2	58%	0.584	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-67.5	-33.8	173.5	-59.9	-178.9	-1.2	0	0	111.2	S216 L217 A221 Q222	S216-Q219 WeakPolarHBondContact O-CB 3.36Å; S216-Q219 PolarHBondContact O-N 2.95Å; L217-Q219 VanDerWaalsContact C-N 3.26Å; L217-Q219 PolarHBondContact O-N 2.87Å; Q219-A221 PolarHBondContact O-N 3.43Å; Q219-Q222 PolarHBondContact O-N 3.02Å
220	H	73.3	Confident	72.1	Confident	124 Å²	124	75.7 Å²	75.7	57%	0.574	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-75.6	-7.8	174	-51.8	112.5	0	0	0	113.6	S216 L217 F218	S216-H220 PolarHBondContact O-ND1 3.27Å; L217-H220 PolarHBondContact O-N 2.77Å; L217-H220 VanDerWaalsContact O-N 3.16Å; F218-H220 VanDerWaalsContact C-N 3.3Å; F218-H220 PolarHBondContact O-N 3.08Å
221	A	68.9	Low	70	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.008	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-94.3	12.5	175.2	0	0	0	0	0	113.3	F218 Q219 L235 V237 R258	F218-A221 WeakPolarHBondContact O-CB 3.45Å; F218-A221 PolarHBondContact O-N 3.41Å; F218-A221 VanDerWaalsContact O-N 3.16Å; Q219-A221 PolarHBondContact O-N 3.43Å; A221-L235 HydrophobicContact CB-CD2 4.06Å; A221-L235 HydrophobicContact CB-CG 4.22Å; A221-V237 HydrophobicContact CB-CB 4.43Å; A221-V237 HydrophobicContact CB-CG2 3.7Å; A221-R258 PolarHBondContact O-NH1 2.9Å
222	Q	68.6	Low	67.8	Low	49 Å²	49	73.8 Å²	73.8	23%	0.229	45%	0.449	C	S	.	.			trans	-82.7	136.1	171.2	-69.4	-174.8	-11.1	0	0	111.4	Q219 L224 L256 T257	Q219-Q222 PolarHBondContact O-N 3.02Å; Q222-L224 HydrophobicContact CB-CG 4.37Å; Q222-L224 PolarHBondContact O-N 3Å; Q222-L224 VanDerWaalsContact O-N 3.17Å; Q222-L256 HydrophobicContact CG-CB 4.15Å; Q222-L256 HydrophobicContact CG-CD2 4.17Å; Q222-T257 WeakPolarHBondContact CA-O 3.24Å
223	V	60.8	Low	66.1	Low	52 Å²	52	75.3 Å²	75.3	32%	0.315	46%	0.46	S	S	.	.			trans	-87.9	79.7	172.1	-173.5	0	0	0	0	108.9	S225 T257	V223-S225 PolarHBondContact O-N 2.68Å; V223-T257 PolarHBondContact N-O 2.87Å
224	L	54	Low	65	Low	111 Å²	111	79.7 Å²	79.7	58%	0.581	49%	0.487	S	S	*	.			trans	-75.3	85.3	177.1	-82.7	161.3	0	0	0	110.6	Q222 D226 S231	Q222-L224 HydrophobicContact CB-CG 4.37Å; Q222-L224 PolarHBondContact O-N 3Å; Q222-L224 VanDerWaalsContact O-N 3.17Å; L224-D226 VanDerWaalsContact C-N 3.3Å; L224-D226 PolarHBondContact O-N 3.43Å; L224-S231 WeakPolarHBondContact O-CB 3.33Å; L224-S231 PolarHBondContact O-OG 2.9Å
225	S	49.7	Very low	64.7	Low	110 Å²	110	75.6 Å²	75.6	77%	0.769	46%	0.46	S	S	*	.			trans	-74.3	71.2	-175.1	52.6	0	0	0	0	114	V223	V223-S225 PolarHBondContact O-N 2.68Å
226	D	45.2	Very low	64.6	Low	133 Å²	133	78.5 Å²	78.5	71%	0.711	48%	0.478	S	S	*	.			trans	-70.7	141.3	178.9	-132	-19.7	0	0	0	112.3	L224 K228 G229	L224-D226 VanDerWaalsContact C-N 3.3Å; L224-D226 PolarHBondContact O-N 3.43Å; D226-K228 PolarHBondContact O-N 3.44Å; D226-G229 PolarHBondContact O-N 2.91Å
227	A	50.6	Low	65	Low	104 Å²	104	76 Å²	76	86%	0.86	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	18.4	-166.7	0	0	0	0	0	115.9
228	K	55	Low	65.4	Low	201 Å²	201	76.3 Å²	76.3	87%	0.874	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	31.9	173.8	-81.9	-171	174.5	176.5	0	114.4	D226 S230	D226-K228 PolarHBondContact O-N 3.44Å; K228-S230 PolarHBondContact O-N 2.82Å
229	G	54.4	Low	65.9	Low	77 Å²	77	76.3 Å²	76.3	79%	0.794	46%	0.463	S	S	*	.	S	Bend	trans	69.1	30.2	146.1	0	0	0	0	0	117.4	D226	D226-G229 PolarHBondContact O-N 2.91Å
230	S	51	Low	66.6	Low	116 Å²	116	70.7 Å²	70.7	81%	0.811	44%	0.439	S	S	*	.			trans	-151.2	72.7	172.1	178.3	0	0	0	0	112	K228	K228-S230 PolarHBondContact O-N 2.82Å
231	S	50.2	Low	67.7	Low	45 Å²	45	67.5 Å²	67.5	32%	0.315	44%	0.439	S	S	.	.			trans	-148.9	51.9	176.2	51.5	0	0	0	0	112.2	L224 S233	L224-S231 WeakPolarHBondContact O-CB 3.33Å; L224-S231 PolarHBondContact O-OG 2.9Å; S231-S233 PolarHBondContact O-N 3.4Å
232	S	48.6	Very low	69	Low	110 Å²	110	67.8 Å²	67.8	77%	0.769	44%	0.441	S	S	*	.			trans	-64.3	119.6	164.7	-173	0	0	0	0	108.7	T234	S232-T234 PolarHBondContact O-N 2.92Å; S232-T234 VanDerWaalsContact O-N 3.16Å
233	S	57.5	Low	70.4	Confident	35 Å²	35	67.4 Å²	67.4	25%	0.245	44%	0.442	C	S	.	.			trans	-57	118.5	166.2	50	0	0	0	0	108.5	S231 L235	S231-S233 PolarHBondContact O-N 3.4Å; S233-L235 PolarHBondContact O-N 2.94Å
234	T	69.9	Low	72.1	Confident	110 Å²	110	64.9 Å²	64.9	68%	0.675	43%	0.427	S	S	*	.	S	Bend	trans	-78	-7	-176.6	54.1	0	0	0	0	113.5	S232	S232-T234 PolarHBondContact O-N 2.92Å; S232-T234 VanDerWaalsContact O-N 3.16Å
235	L	84.3	Confident	74.1	Confident	6 Å²	6	61 Å²	61	3%	0.031	41%	0.406	C	S	.	.			trans	-117.7	120.6	-179.2	167.6	62.7	0	0	0	109.5	L199 V200 L217 A221 S233 V237	L199-L235 HydrophobicContact CG-CD1 4.31Å; V200-L235 WeakPolarHBondContact O-CA 3.43Å; L217-L235 HydrophobicContact CD1-CD2 4.23Å; L217-L235 HydrophobicContact CD2-CD2 3.81Å; L217-L235 HydrophobicContact CG-CD2 3.61Å; L217-L235 WeakPolarHBondContact O-CD2 3.33Å; A221-L235 HydrophobicContact CB-CD2 4.06Å; A221-L235 HydrophobicContact CB-CG 4.22Å; S233-L235 PolarHBondContact O-N 2.94Å; L235-V237 HydrophobicContact CD1-CG2 3.99Å; L235-V237 HydrophobicContact CD2-CG2 3.91Å; L235-V237 HydrophobicContact CG-CG2 3.74Å
236	V	88.1	Confident	76.4	Confident	70 Å²	70	55.8 Å²	55.8	42%	0.424	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.3	169.6	-178.8	0	0	0	0	108.6	V200 R201 L202	V200-V236 PolarHBondContact O-N 2.96Å; R201-V236 WeakPolarHBondContact CA-O 3.43Å; L202-V236 PolarHBondContact N-O 3.45Å
237	V	90.5	Very high	78.8	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.3	169.3	-171	0	0	0	0	108.4	L202 M204 F218 A221 L235 F239 R258	L202-V237 HydrophobicContact CB-CG1 4.35Å; L202-V237 HydrophobicContact CB-CG2 4.37Å; L202-V237 HydrophobicContact CD2-CG1 4.29Å; L202-V237 HydrophobicContact CG-CG1 4.38Å; L202-V237 WeakPolarHBondContact O-CA 3.39Å; M204-V237 HydrophobicContact CE-CG1 4.13Å; F218-V237 HydrophobicContact CD1-CG1 4.19Å; F218-V237 HydrophobicContact CD1-CG2 4.21Å; F218-V237 HydrophobicContact CE1-CG1 3.89Å; F218-V237 HydrophobicContact CE1-CG2 4.46Å; A221-V237 HydrophobicContact CB-CB 4.43Å; A221-V237 HydrophobicContact CB-CG2 3.7Å; L235-V237 HydrophobicContact CD1-CG2 3.99Å; L235-V237 HydrophobicContact CD2-CG2 3.91Å; L235-V237 HydrophobicContact CG-CG2 3.74Å; V237-F239 HydrophobicContact CG1-CD1 3.81Å; V237-F239 HydrophobicContact CG1-CE1 4.27Å; V237-R258 PolarHBondContact O-NH2 3.3Å
238	S	92.4	Very high	81	Confident	18 Å²	18	46.3 Å²	46.3	13%	0.126	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.8	173	-62.3	0	0	0	0	110.2	L202 M204	L202-S238 PolarHBondContact O-N 2.85Å; M204-S238 PolarHBondContact N-O 2.84Å
239	F	93.1	Very high	82.9	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.009	28%	0.277	C	S	.	.			trans	-141.6	13	-176	52.1	-108.5	0	0	0	114.4	M204 L212 V237 N242 F244 L253 E263 W277	M204-F239 HydrophobicContact CE-CB 4.27Å; L212-F239 HydrophobicContact CD1-CB 4.22Å; L212-F239 HydrophobicContact CD1-CD1 3.77Å; L212-F239 HydrophobicContact CD1-CD2 4.31Å; L212-F239 HydrophobicContact CD1-CE1 4.23Å; L212-F239 HydrophobicContact CD1-CG 3.84Å; V237-F239 HydrophobicContact CG1-CD1 3.81Å; V237-F239 HydrophobicContact CG1-CE1 4.27Å; F239-N242 PolarHBondContact O-ND2 3.12Å; F239-F244 HydrophobicContact CB-CZ 4.25Å; F239-F244 AromaticContact CD2-CE2 3.89Å; F239-F244 HydrophobicContact CD2-CE2 3.89Å; F239-F244 AromaticContact CD2-CZ 3.63Å; F239-F244 HydrophobicContact CD2-CZ 3.63Å; F239-F244 HydrophobicContact CE2-CZ 4.45Å; F239-F244 HydrophobicContact CG-CZ 4.27Å; F239-F244 WeakPolarHBondContact O-CZ 3.48Å; F239-L253 HydrophobicContact CE1-CD1 4.05Å; F239-L253 HydrophobicContact CE2-CD2 4.02Å; F239-L253 HydrophobicContact CZ-CD1 3.77Å; F239-L253 HydrophobicContact CZ-CD2 4.02Å; F239-L253 HydrophobicContact CZ-CG 4.22Å; F239-E263 HydrophobicContact CD2-CG 3.81Å; F239-E263 HydrophobicContact CE2-CG 3.76Å; F239-E263 WeakPolarHBondContact CE2-OE1 3.47Å; F239-E263 WeakPolarHBondContact CZ-OE1 3.46Å; F239-W277 HydrophobicContact CE2-CZ2 4.41Å; F239-W277 HydrophobicContact CZ-CZ2 4.08Å
240	G	93.4	Very high	84.8	Confident	8 Å²	8	35.5 Å²	35.5	8%	0.082	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	161.6	173	0	0	0	0	0	114.3	T205 S206 N242	T205-G240 CarbonylContact C-O 3.53Å; T205-G240 WeakPolarHBondContact CA-O 3.38Å; T205-G240 WeakPolarHBondContact CB-O 3.49Å; S206-G240 PolarHBondContact N-O 3.25Å; G240-N242 VanDerWaalsContact C-N 3.28Å; G240-N242 PolarHBondContact O-N 3.08Å
241	G	94.8	Very high	86.9	Confident	56 Å²	56	31.5 Å²	31.5	58%	0.577	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	15.6	-176.3	0	0	0	0	0	115.1
242	N	97.4	Very high	89	Confident	7 Å²	7	32 Å²	32	4%	0.037	20%	0.203	C	C	.	.			trans	-96.6	146.9	172.8	-82.9	-76.8	0	0	0	111.7	M204 N207 R208 L209 F239 G240 F244	M204-N242 PolarHBondContact O-ND2 2.87Å; N207-N242 WeakPolarHBondContact CA-OD1 3.19Å; N207-N242 WeakPolarHBondContact CB-OD1 3.43Å; N207-N242 PolarHBondContact N-OD1 3.32Å; N207-N242 PolarHBondContact O-OD1 2.93Å; R208-N242 PolarHBondContact N-OD1 2.81Å; L209-N242 HydrophobicContact CB-CB 4.24Å; L209-N242 VanDerWaalsContact CB-OD1 3.3Å; L209-N242 WeakPolarHBondContact CB-OD1 3.36Å; L209-N242 WeakPolarHBondContact CG-OD1 3.33Å; L209-N242 PolarHBondContact N-OD1 3.34Å; F239-N242 PolarHBondContact O-ND2 3.12Å; G240-N242 VanDerWaalsContact C-N 3.28Å; G240-N242 PolarHBondContact O-N 3.08Å; N242-F244 VanDerWaalsContact C-N 3.27Å; N242-F244 HydrophobicContact CB-CD1 4.43Å; N242-F244 HydrophobicContact CB-CD2 4.19Å; N242-F244 HydrophobicContact CB-CE1 4.01Å; N242-F244 HydrophobicContact CB-CE2 3.76Å; N242-F244 HydrophobicContact CB-CZ 3.66Å; N242-F244 PolarHBondContact O-N 3.4Å
243	P	96.8	Very high	91	Very high	41 Å²	41	26.8 Å²	26.8	27%	0.266	17%	0.167	S	C	.	.			trans	-81.2	66.8	-178.8	35.7	-37.7	0	0	0	111.6	N207 A266	N207-P243 WeakPolarHBondContact O-CD 3.46Å; P243-A266 HydrophobicContact CB-CB 3.84Å
244	F	97.1	Very high	92.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.7	-172.3	-70.7	-61.1	0	0	0	113.5	Q210 L212 F239 N242 L250 E263 A266 S267	Q210-F244 WeakPolarHBondContact O-CA 3.34Å; L212-F244 HydrophobicContact CG-CE1 4.27Å; F239-F244 HydrophobicContact CB-CZ 4.25Å; F239-F244 AromaticContact CD2-CE2 3.89Å; F239-F244 HydrophobicContact CD2-CE2 3.89Å; F239-F244 AromaticContact CD2-CZ 3.63Å; F239-F244 HydrophobicContact CD2-CZ 3.63Å; F239-F244 HydrophobicContact CE2-CZ 4.45Å; F239-F244 HydrophobicContact CG-CZ 4.27Å; F239-F244 WeakPolarHBondContact O-CZ 3.48Å; N242-F244 VanDerWaalsContact C-N 3.27Å; N242-F244 HydrophobicContact CB-CD1 4.43Å; N242-F244 HydrophobicContact CB-CD2 4.19Å; N242-F244 HydrophobicContact CB-CE1 4.01Å; N242-F244 HydrophobicContact CB-CE2 3.76Å; N242-F244 HydrophobicContact CB-CZ 3.66Å; N242-F244 PolarHBondContact O-N 3.4Å; F244-L250 HydrophobicContact CB-CD1 3.97Å; F244-L250 HydrophobicContact CD1-CD1 3.87Å; F244-L250 HydrophobicContact CG-CD1 4.17Å; F244-E263 HydrophobicContact CE2-CB 4.27Å; F244-A266 PolarHBondContact O-N 2.99Å; F244-S267 PolarHBondContact O-N 3.3Å
245	H	97	Very high	93.7	Very high	30 Å²	30	29.4 Å²	29.4	14%	0.139	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	96.9	171.5	-179.4	59.4	0	0	0	107.8	Q210 N247 L250 S267 D316	Q210-H245 HydrophobicContact CB-CB 4.09Å; Q210-H245 PolarHBondContact O-N 3.07Å; H245-N247 PolarHBondContact CD2-ND2 3.48Å; H245-N247 VanDerWaalsContact CD2-ND2 3.27Å; H245-N247 PolarHBondContact NE2-ND2 2.89Å; H245-N247 PolarHBondContact O-N 2.84Å; H245-L250 WeakPolarHBondContact O-CD1 3.11Å; H245-S267 WeakPolarHBondContact CA-O 3.46Å; H245-S267 WeakPolarHBondContact CA-OG 3.41Å; H245-S267 PolarHBondContact ND1-OG 3.27Å; H245-D316 IonicContact CE1-OD1 2.75Å; H245-D316 IonicContact CE1-OD2 3.66Å; H245-D316 PolarHBondContact CE1-OD2 3.45Å; H245-D316 IonicContact NE2-OD1 3.16Å; H245-D316 PolarHBondContact NE2-OD1 2.76Å; H245-D316 VanDerWaalsContact NE2-OD1 3.13Å; H245-D316 IonicContact NE2-OD2 3.7Å
246	C	97.1	Very high	93.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.			trans	-86.5	57.2	-164.1	-67.6	0	0	0	0	112.8	C265 S267 L271 F284	C246-C265 HydrophobicContact CB-CB 3.81Å; C246-C265 WeakPolarHBondContact CB-SG 3.37Å; C246-C265 WeakPolarHBondContact SG-CB 3.43Å; C246-C265 CovalentContact SG-SG 2.03Å; C246-C265 PolarHBondContact SG-SG 3.16Å; C246-S267 PolarHBondContact N-O 3.21Å; C246-L271 HydrophobicContact CB-CD1 3.75Å; C246-L271 VanDerWaalsContact O-CD1 3.24Å; C246-L271 WeakPolarHBondContact O-CD1 3.42Å; C246-F284 HydrophobicContact CB-CD1 4.1Å; C246-F284 HydrophobicContact CB-CE1 3.67Å; C246-F284 WeakPolarHBondContact O-CD1 3.4Å
247	N	96.3	Very high	93.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-93.9	-173	172.8	73.6	5.8	0	0	0	111.3	H245 E249 L250 F284 I285 D316	H245-N247 PolarHBondContact CD2-ND2 3.48Å; H245-N247 VanDerWaalsContact CD2-ND2 3.27Å; H245-N247 PolarHBondContact NE2-ND2 2.89Å; H245-N247 PolarHBondContact O-N 2.84Å; N247-E249 PolarHBondContact O-N 2.87Å; N247-E249 WeakPolarHBondContact OD1-CB 3.28Å; N247-E249 WeakPolarHBondContact OD1-CG 3.48Å; N247-E249 PolarHBondContact OD1-N 2.67Å; N247-L250 PolarHBondContact O-N 2.72Å; N247-F284 WeakPolarHBondContact O-CD1 3.38Å; N247-I285 VanDerWaalsContact CA-O 3.22Å; N247-I285 WeakPolarHBondContact CA-O 3.34Å; N247-I285 VanDerWaalsContact CB-O 3.25Å; N247-I285 WeakPolarHBondContact CB-O 3.33Å; N247-D316 WeakPolarHBondContact CB-OD1 3.37Å; N247-D316 PolarHBondContact ND2-OD1 2.96Å
248	C	95.6	Very high	93.1	Very high	38 Å²	38	32.4 Å²	32.4	26%	0.257	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.4	-18.5	178.9	76.4	0	0	0	0	115.1	L250 L251 F284 I285 C286	C248-L250 PolarHBondContact O-N 3.49Å; C248-L251 VanDerWaalsContact O-CB 3.3Å; C248-L251 WeakPolarHBondContact O-CB 3.35Å; C248-L251 PolarHBondContact O-N 3.06Å; C248-F284 VanDerWaalsContact CA-O 3.29Å; C248-F284 WeakPolarHBondContact CA-O 3.48Å; C248-F284 WeakPolarHBondContact CB-O 3.11Å; C248-F284 PolarHBondContact N-O 2.92Å; C248-I285 PolarHBondContact N-O 3.08Å; C248-C286 VanDerWaalsContact CA-SG 3.54Å; C248-C286 HydrophobicContact CB-CB 3.84Å; C248-C286 WeakPolarHBondContact CB-SG 3.06Å; C248-C286 PolarHBondContact N-SG 3.14Å; C248-C286 WeakPolarHBondContact SG-CB 3.17Å; C248-C286 CovalentContact SG-SG 2.03Å; C248-C286 PolarHBondContact SG-SG 2.72Å
249	E	95.4	Very high	92.5	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.234	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-68.9	-18.7	175.8	-57.3	-170.4	92.2	0	0	112.9	K211 N247 W252 P317 A365	K211-E249 HydrophobicContact CD-CB 4.34Å; K211-E249 WeakPolarHBondContact CD-OE2 3.5Å; K211-E249 WeakPolarHBondContact CE-OE2 3.29Å; K211-E249 IonicContact NZ-OE1 2.8Å; K211-E249 PolarHBondContact NZ-OE1 2.7Å; K211-E249 IonicContact NZ-OE2 2.8Å; K211-E249 PolarHBondContact NZ-OE2 2.94Å; N247-E249 PolarHBondContact O-N 2.87Å; N247-E249 WeakPolarHBondContact OD1-CB 3.28Å; N247-E249 WeakPolarHBondContact OD1-CG 3.48Å; N247-E249 PolarHBondContact OD1-N 2.67Å; E249-W252 PolarHBondContact O-NE1 2.9Å; E249-P317 HydrophobicContact CG-CG 4.26Å; E249-P317 VanDerWaalsContact OE2-CB 3.3Å; E249-P317 WeakPolarHBondContact OE2-CB 3.29Å; E249-P317 VanDerWaalsContact OE2-CG 3.3Å; E249-P317 WeakPolarHBondContact OE2-CG 3.14Å; E249-A365 HydrophobicContact CG-CB 3.93Å
250	L	95.4	Very high	91.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-100.9	0.3	173.6	-69	-177.5	0	0	0	113.8	K211 F244 H245 N247 C248 W252 L253 R254 F276 F284	K211-L250 HydrophobicContact CB-CD2 4.12Å; K211-L250 HydrophobicContact CB-CG 4.4Å; F244-L250 HydrophobicContact CB-CD1 3.97Å; F244-L250 HydrophobicContact CD1-CD1 3.87Å; F244-L250 HydrophobicContact CG-CD1 4.17Å; H245-L250 WeakPolarHBondContact O-CD1 3.11Å; N247-L250 PolarHBondContact O-N 2.72Å; C248-L250 PolarHBondContact O-N 3.49Å; L250-W252 PolarHBondContact O-N 2.96Å; L250-L253 HydrophobicContact CD2-CD2 4.05Å; L250-L253 WeakPolarHBondContact O-CB 3.47Å; L250-L253 PolarHBondContact O-N 2.96Å; L250-R254 PolarHBondContact O-N 3.19Å; L250-F276 HydrophobicContact CB-CE2 3.94Å; L250-F276 HydrophobicContact CB-CZ 4.21Å; L250-F276 HydrophobicContact CD1-CE2 3.98Å; L250-F284 HydrophobicContact CB-CD1 4.38Å; L250-F284 HydrophobicContact CB-CE1 4.34Å
251	L	94.6	Very high	91.2	Very high	33 Å²	33	45.6 Å²	45.6	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-31.1	178.7	179.1	58.6	0	0	0	112.9	C248 L253 R255 E281 F284	C248-L251 VanDerWaalsContact O-CB 3.3Å; C248-L251 WeakPolarHBondContact O-CB 3.35Å; C248-L251 PolarHBondContact O-N 3.06Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-R255 WeakPolarHBondContact O-CG 3.23Å; L251-R255 PolarHBondContact O-N 2.59Å; L251-E281 HydrophobicContact CD1-CB 3.8Å; L251-E281 HydrophobicContact CD1-CG 3.87Å; L251-F284 HydrophobicContact CB-CB 4.28Å; L251-F284 HydrophobicContact CD1-CB 4.33Å
252	W	92.8	Very high	90.9	Very high	55 Å²	55	48 Å²	48	21%	0.208	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-34	174.2	74.5	-90.1	0	0	0	112.3	L212 P213 P214 F218 E249 L250 L256	L212-W252 HydrophobicContact CB-CZ2 3.99Å; L212-W252 WeakPolarHBondContact O-CZ2 3.16Å; L212-W252 PolarHBondContact O-NE1 2.87Å; P213-W252 WeakPolarHBondContact O-CZ2 3.47Å; P214-W252 HydrophobicContact CB-CD2 4.08Å; P214-W252 HydrophobicContact CB-CG 4.22Å; P214-W252 HydrophobicContact CG-CD2 4.35Å; P214-W252 HydrophobicContact CG-CG 4.17Å; F218-W252 HydrophobicContact CB-CH2 4.04Å; F218-W252 HydrophobicContact CB-CZ3 3.75Å; F218-W252 AromaticContact CD2-CH2 3.41Å; F218-W252 HydrophobicContact CD2-CH2 3.41Å; F218-W252 VanDerWaalsContact CD2-CH2 3.41Å; F218-W252 HydrophobicContact CD2-CZ2 4.43Å; F218-W252 AromaticContact CD2-CZ3 3.91Å; F218-W252 HydrophobicContact CD2-CZ3 3.91Å; F218-W252 AromaticContact CE2-CH2 3.98Å; F218-W252 HydrophobicContact CE2-CH2 3.98Å; F218-W252 AromaticContact CG-CH2 3.81Å; F218-W252 HydrophobicContact CG-CH2 3.81Å; F218-W252 HydrophobicContact CG-CZ3 4.06Å; E249-W252 PolarHBondContact O-NE1 2.9Å; L250-W252 PolarHBondContact O-N 2.96Å; W252-L256 HydrophobicContact CZ3-CD1 4.14Å
253	L	92.3	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.9	-41.2	178.6	-178	67.5	0	0	0	110.1	L212 F239 L250 L251 R255 L256 F276 W277	L212-L253 HydrophobicContact CD1-CD2 4.03Å; F239-L253 HydrophobicContact CE1-CD1 4.05Å; F239-L253 HydrophobicContact CE2-CD2 4.02Å; F239-L253 HydrophobicContact CZ-CD1 3.77Å; F239-L253 HydrophobicContact CZ-CD2 4.02Å; F239-L253 HydrophobicContact CZ-CG 4.22Å; L250-L253 HydrophobicContact CD2-CD2 4.05Å; L250-L253 WeakPolarHBondContact O-CB 3.47Å; L250-L253 PolarHBondContact O-N 2.96Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.35Å; L253-L256 HydrophobicContact CD1-CD1 3.85Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 WeakPolarHBondContact O-CG 3.3Å; L253-L256 PolarHBondContact O-N 3.1Å; L253-L256 VanDerWaalsContact O-N 3.07Å; L253-F276 HydrophobicContact CB-CE1 4.48Å; L253-F276 HydrophobicContact CB-CZ 4.05Å; L253-F276 HydrophobicContact CD2-CE1 4.13Å; L253-F276 HydrophobicContact CD2-CE2 4.46Å; L253-F276 HydrophobicContact CD2-CZ 3.8Å; L253-F276 HydrophobicContact CG-CE1 4Å; L253-F276 HydrophobicContact CG-CZ 3.91Å; L253-W277 WeakPolarHBondContact O-CH2 3.32Å; L253-W277 WeakPolarHBondContact O-CZ3 3.34Å
254	R	92.5	Very high	90.7	Very high	55 Å²	55	47.9 Å²	47.9	21%	0.208	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-27	175.4	-179.7	59.3	-172.5	80.3	-0.4	113.3	L250 L256 F276 W277 I279 E281 F284	L250-R254 PolarHBondContact O-N 3.19Å; R254-L256 VanDerWaalsContact C-N 3.33Å; R254-F276 HydrophobicContact CB-CE1 4.15Å; R254-F276 HydrophobicContact CB-CZ 4.01Å; R254-W277 PolarHBondContact NH2-O 3.45Å; R254-I279 VanDerWaalsContact CZ-O 3.25Å; R254-I279 PolarHBondContact NE-O 3.09Å; R254-I279 PolarHBondContact NH2-O 2.91Å; R254-E281 HydrophobicContact CG-CG 4.23Å; R254-F284 HydrophobicContact CB-CD2 4.41Å; R254-F284 HydrophobicContact CB-CE2 4.01Å; R254-F284 HydrophobicContact CB-CZ 4.09Å; R254-F284 HydrophobicContact CG-CD2 4.06Å; R254-F284 HydrophobicContact CG-CE2 3.51Å; R254-F284 HydrophobicContact CG-CZ 3.99Å
255	R	91.5	Very high	90.7	Very high	145 Å²	145	47.9 Å²	47.9	55%	0.547	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.3	176.5	-79.3	172.1	174	155.3	10.6	115.1	L251 L253 E281	L251-R255 WeakPolarHBondContact O-CG 3.23Å; L251-R255 PolarHBondContact O-N 2.59Å; L253-R255 PolarHBondContact O-N 3.35Å; R255-E281 VanDerWaalsContact CG-OE1 3.32Å; R255-E281 WeakPolarHBondContact CG-OE1 3.49Å; R255-E281 IonicContact CZ-OE2 3.39Å; R255-E281 IonicContact NE-OE1 3.55Å; R255-E281 IonicContact NE-OE2 3.64Å; R255-E281 PolarHBondContact NE-OE2 2.6Å; R255-E281 IonicContact NH2-OE2 2.81Å; R255-E281 PolarHBondContact NH2-OE2 3.22Å
256	L	87.6	Confident	90.8	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.079	24%	0.24	C	C	.	.	S	Bend	trans	-80.7	140.3	176.5	-52.2	-173.2	0	0	0	111.1	F218 Q222 W252 L253 R254 R258 W277	F218-L256 HydrophobicContact CB-CD1 4.14Å; Q222-L256 HydrophobicContact CG-CB 4.15Å; Q222-L256 HydrophobicContact CG-CD2 4.17Å; W252-L256 HydrophobicContact CZ3-CD1 4.14Å; L253-L256 HydrophobicContact CD1-CD1 3.85Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 WeakPolarHBondContact O-CG 3.3Å; L253-L256 PolarHBondContact O-N 3.1Å; L253-L256 VanDerWaalsContact O-N 3.07Å; R254-L256 VanDerWaalsContact C-N 3.33Å; L256-R258 HydrophobicContact CB-CG 4.23Å; L256-R258 PolarHBondContact O-N 2.84Å; L256-W277 WeakPolarHBondContact O-CZ3 3.21Å
257	T	81.4	Confident	90.7	Very high	77 Å²	77	49.8 Å²	49.8	47%	0.472	25%	0.251	S	S	.	.			trans	-83.9	107	169.5	49.5	0	0	0	0	110.4	Q222 V223	Q222-T257 WeakPolarHBondContact CA-O 3.24Å; V223-T257 PolarHBondContact N-O 2.87Å
258	R	81.3	Confident	90.7	Very high	51 Å²	51	50.9 Å²	50.9	19%	0.192	26%	0.258	C	S	.	.			trans	-137.8	165.8	-176.3	-73.5	-175.4	52.1	76.3	2.5	111.8	A221 V237 L256 D261 W277	A221-R258 PolarHBondContact O-NH1 2.9Å; V237-R258 PolarHBondContact O-NH2 3.3Å; L256-R258 HydrophobicContact CB-CG 4.23Å; L256-R258 PolarHBondContact O-N 2.84Å; R258-D261 IonicContact NH2-OD2 3.78Å; R258-W277 HydrophobicContact CB-CH2 4.15Å; R258-W277 HydrophobicContact CB-CZ2 4.08Å; R258-W277 HydrophobicContact CG-CH2 4.38Å
259	E	78.6	Confident	90.6	Very high	147 Å²	147	57.4 Å²	57.4	69%	0.687	29%	0.285	S	S	*	.			trans	-76.3	153.7	165.3	-60.3	-176.4	171	0	0	109.8
260	D	78.4	Confident	90.6	Very high	81 Å²	81	60.4 Å²	60.4	43%	0.433	30%	0.299	S	S	.	.			trans	-89	103.9	-177.1	-170.4	-17.5	0	0	0	109.9	L262	D260-L262 PolarHBondContact O-N 3.37Å; D260-L262 WeakPolarHBondContact OD1-CA 3.34Å; D260-L262 PolarHBondContact OD1-N 3.36Å
261	D	81.2	Confident	90.6	Very high	76 Å²	76	60.4 Å²	60.4	41%	0.406	30%	0.299	S	S	.	.			trans	-86.3	17.7	177.4	-86.8	-27	0	0	0	111.2	R258 E263	R258-D261 IonicContact NH2-OD2 3.78Å; D261-E263 VanDerWaalsContact C-N 3.29Å; D261-E263 WeakPolarHBondContact CA-OE2 3.09Å; D261-E263 HydrophobicContact CB-CG 4.35Å; D261-E263 WeakPolarHBondContact CB-OE2 3.5Å; D261-E263 PolarHBondContact N-OE2 3.16Å; D261-E263 PolarHBondContact O-N 3.36Å
262	L	89.8	Confident	90.7	Very high	108 Å²	108	63.4 Å²	63.4	57%	0.565	31%	0.313	S	S	*	.			trans	60.7	31.8	-175.1	-53.9	176.7	0	0	0	113.6	D260 T264 Y275	D260-L262 PolarHBondContact O-N 3.37Å; D260-L262 WeakPolarHBondContact OD1-CA 3.34Å; D260-L262 PolarHBondContact OD1-N 3.36Å; L262-T264 PolarHBondContact O-N 3.33Å; L262-T264 PolarHBondContact O-OG1 3.29Å; L262-T264 VanDerWaalsContact O-OG1 3.08Å; L262-Y275 HydrophobicContact CB-CD1 4.42Å; L262-Y275 HydrophobicContact CB-CE1 4.15Å; L262-Y275 HydrophobicContact CD2-CD1 4.36Å; L262-Y275 HydrophobicContact CD2-CE1 4.01Å
263	E	94.4	Very high	90.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.337	C	S	.	.			trans	-59.4	137.1	173.5	-53.4	104	121.3	0	0	110.4	F239 F244 D261 Y275 F276 W277	F239-E263 HydrophobicContact CD2-CG 3.81Å; F239-E263 HydrophobicContact CE2-CG 3.76Å; F239-E263 WeakPolarHBondContact CE2-OE1 3.47Å; F239-E263 WeakPolarHBondContact CZ-OE1 3.46Å; F244-E263 HydrophobicContact CE2-CB 4.27Å; D261-E263 VanDerWaalsContact C-N 3.29Å; D261-E263 WeakPolarHBondContact CA-OE2 3.09Å; D261-E263 HydrophobicContact CB-CG 4.35Å; D261-E263 WeakPolarHBondContact CB-OE2 3.5Å; D261-E263 PolarHBondContact N-OE2 3.16Å; D261-E263 PolarHBondContact O-N 3.36Å; E263-Y275 CarbonylContact O-C 3.52Å; E263-Y275 WeakPolarHBondContact O-CA 3.27Å; E263-F276 HydrophobicContact CB-CB 3.95Å; E263-F276 WeakPolarHBondContact O-CB 3.29Å; E263-F276 PolarHBondContact O-N 2.89Å; E263-W277 PolarHBondContact OE1-NE1 3.28Å; E263-W277 PolarHBondContact OE2-NE1 3.19Å
264	T	95.5	Very high	90.9	Very high	44 Å²	44	70.6 Å²	70.6	27%	0.27	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-132	139.2	-168.4	-58.9	0	0	0	0	110.6	L262 K274	L262-T264 PolarHBondContact O-N 3.33Å; L262-T264 PolarHBondContact O-OG1 3.29Å; L262-T264 VanDerWaalsContact O-OG1 3.08Å; T264-K274 WeakPolarHBondContact CA-O 3.44Å
265	C	97.1	Very high	91	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	127	176.2	-65.7	0	0	0	0	110.8	C246 L271 M272 D273 K274 I279	C246-C265 HydrophobicContact CB-CB 3.81Å; C246-C265 WeakPolarHBondContact CB-SG 3.37Å; C246-C265 WeakPolarHBondContact SG-CB 3.43Å; C246-C265 CovalentContact SG-SG 2.03Å; C246-C265 PolarHBondContact SG-SG 3.16Å; C265-L271 HydrophobicContact CB-CB 4.21Å; C265-L271 VanDerWaalsContact CB-O 3.29Å; C265-L271 WeakPolarHBondContact CB-O 3.43Å; C265-M272 CarbonylContact O-C 3.59Å; C265-M272 WeakPolarHBondContact O-CA 3.38Å; C265-D273 PolarHBondContact O-N 3.32Å; C265-K274 PolarHBondContact N-O 3.49Å; C265-I279 HydrophobicContact CB-CD1 4.26Å; C265-I279 WeakPolarHBondContact SG-CD1 3.13Å
266	A	97.3	Very high	91.2	Very high	38 Å²	38	66.5 Å²	66.5	31%	0.314	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-20.5	174.7	0	0	0	0	0	112.7	P243 F244 M272	P243-A266 HydrophobicContact CB-CB 3.84Å; F244-A266 PolarHBondContact O-N 2.99Å; A266-M272 WeakPolarHBondContact O-CE 3.26Å
267	S	96.1	Very high	91.5	Very high	33 Å²	33	67.3 Å²	67.3	23%	0.231	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	166.7	177	61.4	0	0	0	0	110.2	F244 H245 C246	F244-S267 PolarHBondContact O-N 3.3Å; H245-S267 WeakPolarHBondContact CA-O 3.46Å; H245-S267 WeakPolarHBondContact CA-OG 3.41Å; H245-S267 PolarHBondContact ND1-OG 3.27Å; C246-S267 PolarHBondContact N-O 3.21Å
268	P	95.9	Very high	92.1	Very high	22 Å²	22	67.5 Å²	67.5	14%	0.143	34%	0.344	C	S	.	.	S	Bend	cis	-61.7	168.9	-10.2	27.8	-37.2	0	0	0	113.3	H270 L271 M272	P268-H270 WeakPolarHBondContact CG-CE1 3.45Å; P268-H270 PolarHBondContact O-N 2.65Å; P268-L271 HydrophobicContact CG-CD1 4.33Å; P268-L271 HydrophobicContact CG-CG 4.3Å; P268-L271 PolarHBondContact O-N 3.12Å; P268-M272 PolarHBondContact O-N 2.79Å; P268-M272 VanDerWaalsContact O-N 3.16Å
269	E	94.5	Very high	92.7	Very high	175 Å²	175	65.1 Å²	65.1	82%	0.818	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.8	-172.8	-66.4	-172.4	162.7	0	0	114.4	L271	E269-L271 VanDerWaalsContact C-N 3.3Å; E269-L271 PolarHBondContact O-N 3.45Å
270	H	94.5	Very high	93.5	Very high	114 Å²	114	63.8 Å²	63.8	53%	0.528	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.4	-179.6	66.1	-92.5	0	0	0	114.4	P268 K274	P268-H270 WeakPolarHBondContact CG-CE1 3.45Å; P268-H270 PolarHBondContact O-N 2.65Å; H270-K274 VanDerWaalsContact O-CE 3.3Å; H270-K274 WeakPolarHBondContact O-CE 3.41Å; H270-K274 PolarHBondContact O-NZ 2.64Å
271	L	95.9	Very high	94.3	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-2	173.5	-55.4	-174.3	0	0	0	113.1	C246 C265 P268 E269 D273 K274 I279 E283	C246-L271 HydrophobicContact CB-CD1 3.75Å; C246-L271 VanDerWaalsContact O-CD1 3.24Å; C246-L271 WeakPolarHBondContact O-CD1 3.42Å; C265-L271 HydrophobicContact CB-CB 4.21Å; C265-L271 VanDerWaalsContact CB-O 3.29Å; C265-L271 WeakPolarHBondContact CB-O 3.43Å; P268-L271 HydrophobicContact CG-CD1 4.33Å; P268-L271 HydrophobicContact CG-CG 4.3Å; P268-L271 PolarHBondContact O-N 3.12Å; E269-L271 VanDerWaalsContact C-N 3.3Å; E269-L271 PolarHBondContact O-N 3.45Å; L271-D273 PolarHBondContact O-N 3.35Å; L271-K274 HydrophobicContact CD2-CD 4.02Å; L271-K274 VanDerWaalsContact CD2-NZ 3.3Å; L271-K274 WeakPolarHBondContact O-CB 3.38Å; L271-K274 PolarHBondContact O-N 3.12Å; L271-I279 HydrophobicContact CB-CD1 4.35Å; L271-I279 HydrophobicContact CD1-CD1 4.41Å; L271-I279 HydrophobicContact CD1-CG2 4.45Å; L271-I279 HydrophobicContact CD2-CD1 4.46Å; L271-I279 HydrophobicContact CD2-CG2 4.18Å; L271-E283 HydrophobicContact CD2-CB 4.18Å
272	M	95.5	Very high	94.9	Very high	96 Å²	96	66.4 Å²	66.4	47%	0.473	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.7	179.6	-171.4	177.7	-71.9	0	0	111.5	C265 A266 P268 K274	C265-M272 CarbonylContact O-C 3.59Å; C265-M272 WeakPolarHBondContact O-CA 3.38Å; A266-M272 WeakPolarHBondContact O-CE 3.26Å; P268-M272 PolarHBondContact O-N 2.79Å; P268-M272 VanDerWaalsContact O-N 3.16Å; M272-K274 PolarHBondContact O-N 3.3Å; M272-K274 VanDerWaalsContact O-N 3.11Å
273	D	94.4	Very high	95.2	Very high	134 Å²	134	63.5 Å²	63.5	72%	0.717	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	11.2	-178.1	-58.6	-31.7	0	0	0	115.6	C265 L271	C265-D273 PolarHBondContact O-N 3.32Å; L271-D273 PolarHBondContact O-N 3.35Å
274	K	95.3	Very high	95.3	Very high	71 Å²	71	63.9 Å²	63.9	31%	0.309	32%	0.321	S	S	.	.			trans	-82.7	142.2	168.4	-64.4	-174.2	-174.8	171.7	0	111.4	T264 C265 H270 L271 M272 I279 E283	T264-K274 WeakPolarHBondContact CA-O 3.44Å; C265-K274 PolarHBondContact N-O 3.49Å; H270-K274 VanDerWaalsContact O-CE 3.3Å; H270-K274 WeakPolarHBondContact O-CE 3.41Å; H270-K274 PolarHBondContact O-NZ 2.64Å; L271-K274 HydrophobicContact CD2-CD 4.02Å; L271-K274 VanDerWaalsContact CD2-NZ 3.3Å; L271-K274 WeakPolarHBondContact O-CB 3.38Å; L271-K274 PolarHBondContact O-N 3.12Å; M272-K274 PolarHBondContact O-N 3.3Å; M272-K274 VanDerWaalsContact O-N 3.11Å; K274-I279 HydrophobicContact CB-CD1 3.83Å; K274-I279 HydrophobicContact CB-CG1 3.91Å; K274-I279 HydrophobicContact CD-CD1 4.22Å; K274-I279 HydrophobicContact CD-CG1 3.84Å; K274-E283 IonicContact NZ-OE2 2.98Å; K274-E283 PolarHBondContact NZ-OE2 3.16Å
275	Y	95.3	Very high	95.4	Very high	115 Å²	115	66.6 Å²	66.6	45%	0.451	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-68	130.3	169.4	-62.6	-64.4	0	0	0	111.1	L262 E263 W277 S278	L262-Y275 HydrophobicContact CB-CD1 4.42Å; L262-Y275 HydrophobicContact CB-CE1 4.15Å; L262-Y275 HydrophobicContact CD2-CD1 4.36Å; L262-Y275 HydrophobicContact CD2-CE1 4.01Å; E263-Y275 CarbonylContact O-C 3.52Å; E263-Y275 WeakPolarHBondContact O-CA 3.27Å; Y275-W277 PolarHBondContact O-N 3.01Å; Y275-S278 WeakPolarHBondContact O-CB 3.47Å; Y275-S278 PolarHBondContact O-N 3.42Å; Y275-S278 PolarHBondContact O-OG 3.5Å
276	F	95.5	Very high	95.3	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-53.1	-47.7	-171.9	-178.8	-96.3	0	0	0	113.1	L250 L253 R254 E263 S278 I279 F284	L250-F276 HydrophobicContact CB-CE2 3.94Å; L250-F276 HydrophobicContact CB-CZ 4.21Å; L250-F276 HydrophobicContact CD1-CE2 3.98Å; L253-F276 HydrophobicContact CB-CE1 4.48Å; L253-F276 HydrophobicContact CB-CZ 4.05Å; L253-F276 HydrophobicContact CD2-CE1 4.13Å; L253-F276 HydrophobicContact CD2-CE2 4.46Å; L253-F276 HydrophobicContact CD2-CZ 3.8Å; L253-F276 HydrophobicContact CG-CE1 4Å; L253-F276 HydrophobicContact CG-CZ 3.91Å; R254-F276 HydrophobicContact CB-CE1 4.15Å; R254-F276 HydrophobicContact CB-CZ 4.01Å; E263-F276 HydrophobicContact CB-CB 3.95Å; E263-F276 WeakPolarHBondContact O-CB 3.29Å; E263-F276 PolarHBondContact O-N 2.89Å; F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 2.8Å; F276-I279 PolarHBondContact O-N 2.92Å; F276-F284 HydrophobicContact CD2-CE1 4.09Å; F276-F284 HydrophobicContact CD2-CZ 4.06Å; F276-F284 AromaticContact CE2-CE1 3.56Å; F276-F284 HydrophobicContact CE2-CE1 3.56Å; F276-F284 AromaticContact CE2-CZ 3.81Å; F276-F284 HydrophobicContact CE2-CZ 3.81Å; F276-F284 HydrophobicContact CZ-CE1 4.16Å; F276-F284 HydrophobicContact CZ-CZ 4.21Å
277	W	93.3	Very high	95.3	Very high	31 Å²	31	71.8 Å²	71.8	12%	0.117	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-73.3	-20.3	-179	-55	108.6	0	0	0	113.8	F239 L253 R254 L256 R258 E263 Y275 I279	F239-W277 HydrophobicContact CE2-CZ2 4.41Å; F239-W277 HydrophobicContact CZ-CZ2 4.08Å; L253-W277 WeakPolarHBondContact O-CH2 3.32Å; L253-W277 WeakPolarHBondContact O-CZ3 3.34Å; R254-W277 PolarHBondContact NH2-O 3.45Å; L256-W277 WeakPolarHBondContact O-CZ3 3.21Å; R258-W277 HydrophobicContact CB-CH2 4.15Å; R258-W277 HydrophobicContact CB-CZ2 4.08Å; R258-W277 HydrophobicContact CG-CH2 4.38Å; E263-W277 PolarHBondContact OE1-NE1 3.28Å; E263-W277 PolarHBondContact OE2-NE1 3.19Å; Y275-W277 PolarHBondContact O-N 3.01Å; W277-I279 VanDerWaalsContact C-N 3.33Å
278	S	93.4	Very high	95.3	Very high	81 Å²	81	74.4 Å²	74.4	57%	0.566	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-76.7	-19.9	178.4	76.5	0	0	0	0	113.6	Y275 F276	Y275-S278 WeakPolarHBondContact O-CB 3.47Å; Y275-S278 PolarHBondContact O-N 3.42Å; Y275-S278 PolarHBondContact O-OG 3.5Å; F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 2.8Å
279	I	94.9	Very high	95.4	Very high	2 Å²	2	74 Å²	74	1%	0.01	37%	0.366	C	S	.	.	S	Bend	trans	-76.1	144.2	-179.2	-59.3	165.7	0	0	0	109.3	R254 C265 L271 K274 F276 W277 E283 F284	R254-I279 VanDerWaalsContact CZ-O 3.25Å; R254-I279 PolarHBondContact NE-O 3.09Å; R254-I279 PolarHBondContact NH2-O 2.91Å; C265-I279 HydrophobicContact CB-CD1 4.26Å; C265-I279 WeakPolarHBondContact SG-CD1 3.13Å; L271-I279 HydrophobicContact CB-CD1 4.35Å; L271-I279 HydrophobicContact CD1-CD1 4.41Å; L271-I279 HydrophobicContact CD1-CG2 4.45Å; L271-I279 HydrophobicContact CD2-CD1 4.46Å; L271-I279 HydrophobicContact CD2-CG2 4.18Å; K274-I279 HydrophobicContact CB-CD1 3.83Å; K274-I279 HydrophobicContact CB-CG1 3.91Å; K274-I279 HydrophobicContact CD-CD1 4.22Å; K274-I279 HydrophobicContact CD-CG1 3.84Å; F276-I279 PolarHBondContact O-N 2.92Å; W277-I279 VanDerWaalsContact C-N 3.33Å; I279-E283 HydrophobicContact CG2-CB 3.53Å; I279-E283 HydrophobicContact CG2-CG 4.35Å; I279-F284 HydrophobicContact CB-CE2 3.77Å; I279-F284 HydrophobicContact CB-CZ 4.11Å; I279-F284 HydrophobicContact CD1-CZ 4.35Å; I279-F284 HydrophobicContact CG2-CD2 4Å; I279-F284 HydrophobicContact CG2-CE2 3.46Å; I279-F284 VanDerWaalsContact CG2-CE2 3.46Å; I279-F284 HydrophobicContact CG2-CZ 4.05Å
280	Q	95.2	Very high	95.5	Very high	119 Å²	119	70.9 Å²	70.9	56%	0.556	36%	0.355	S	S	*	.			trans	-79.8	153.8	176.9	-66.5	167.6	107.4	0	0	111.2	E282 E283 F284	Q280-E282 PolarHBondContact O-N 3.26Å; Q280-E283 PolarHBondContact NE2-OE1 3.05Å; Q280-E283 PolarHBondContact O-N 2.88Å; Q280-E283 VanDerWaalsContact O-N 3.1Å; Q280-F284 WeakPolarHBondContact O-CD2 3.13Å
281	E	95.3	Very high	95.6	Very high	63 Å²	63	66.6 Å²	66.6	29%	0.294	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-60.1	-32.2	-178.8	-77.2	-168.7	-152.7	0	0	112.7	L251 R254 R255 E283 F284	L251-E281 HydrophobicContact CD1-CB 3.8Å; L251-E281 HydrophobicContact CD1-CG 3.87Å; R254-E281 HydrophobicContact CG-CG 4.23Å; R255-E281 VanDerWaalsContact CG-OE1 3.32Å; R255-E281 WeakPolarHBondContact CG-OE1 3.49Å; R255-E281 IonicContact CZ-OE2 3.39Å; R255-E281 IonicContact NE-OE1 3.55Å; R255-E281 IonicContact NE-OE2 3.64Å; R255-E281 PolarHBondContact NE-OE2 2.6Å; R255-E281 IonicContact NH2-OE2 2.81Å; R255-E281 PolarHBondContact NH2-OE2 3.22Å; E281-E283 PolarHBondContact O-N 3.47Å; E281-F284 PolarHBondContact O-N 3.25Å
282	E	94.8	Very high	95.6	Very high	148 Å²	148	69.6 Å²	69.6	69%	0.692	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-70.6	-15.5	-179.9	-61.5	75.4	-168.3	0	0	113.5	Q280 I285	Q280-E282 PolarHBondContact O-N 3.26Å; E282-I285 WeakPolarHBondContact O-CG1 3.19Å
283	E	96	Very high	95.5	Very high	48 Å²	48	71.1 Å²	71.1	22%	0.224	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-85.2	-16	175.5	-74	175.3	-113	0	0	112.6	L271 K274 I279 Q280 E281 I285	L271-E283 HydrophobicContact CD2-CB 4.18Å; K274-E283 IonicContact NZ-OE2 2.98Å; K274-E283 PolarHBondContact NZ-OE2 3.16Å; I279-E283 HydrophobicContact CG2-CB 3.53Å; I279-E283 HydrophobicContact CG2-CG 4.35Å; Q280-E283 PolarHBondContact NE2-OE1 3.05Å; Q280-E283 PolarHBondContact O-N 2.88Å; Q280-E283 VanDerWaalsContact O-N 3.1Å; E281-E283 PolarHBondContact O-N 3.47Å; E283-I285 VanDerWaalsContact C-N 3.28Å; E283-I285 PolarHBondContact O-N 2.94Å
284	F	96.6	Very high	95.5	Very high	7 Å²	7	69.2 Å²	69.2	3%	0.031	34%	0.344	C	S	.	.			trans	-81.2	69.2	177.4	-71.2	-94.2	0	0	0	111.7	C246 N247 C248 L250 L251 R254 F276 I279 Q280 E281	C246-F284 HydrophobicContact CB-CD1 4.1Å; C246-F284 HydrophobicContact CB-CE1 3.67Å; C246-F284 WeakPolarHBondContact O-CD1 3.4Å; N247-F284 WeakPolarHBondContact O-CD1 3.38Å; C248-F284 VanDerWaalsContact CA-O 3.29Å; C248-F284 WeakPolarHBondContact CA-O 3.48Å; C248-F284 WeakPolarHBondContact CB-O 3.11Å; C248-F284 PolarHBondContact N-O 2.92Å; L250-F284 HydrophobicContact CB-CD1 4.38Å; L250-F284 HydrophobicContact CB-CE1 4.34Å; L251-F284 HydrophobicContact CB-CB 4.28Å; L251-F284 HydrophobicContact CD1-CB 4.33Å; R254-F284 HydrophobicContact CB-CD2 4.41Å; R254-F284 HydrophobicContact CB-CE2 4.01Å; R254-F284 HydrophobicContact CB-CZ 4.09Å; R254-F284 HydrophobicContact CG-CD2 4.06Å; R254-F284 HydrophobicContact CG-CE2 3.51Å; R254-F284 HydrophobicContact CG-CZ 3.99Å; F276-F284 HydrophobicContact CD2-CE1 4.09Å; F276-F284 HydrophobicContact CD2-CZ 4.06Å; F276-F284 AromaticContact CE2-CE1 3.56Å; F276-F284 HydrophobicContact CE2-CE1 3.56Å; F276-F284 AromaticContact CE2-CZ 3.81Å; F276-F284 HydrophobicContact CE2-CZ 3.81Å; F276-F284 HydrophobicContact CZ-CE1 4.16Å; F276-F284 HydrophobicContact CZ-CZ 4.21Å; I279-F284 HydrophobicContact CB-CE2 3.77Å; I279-F284 HydrophobicContact CB-CZ 4.11Å; I279-F284 HydrophobicContact CD1-CZ 4.35Å; I279-F284 HydrophobicContact CG2-CD2 4Å; I279-F284 HydrophobicContact CG2-CE2 3.46Å; I279-F284 VanDerWaalsContact CG2-CE2 3.46Å; I279-F284 HydrophobicContact CG2-CZ 4.05Å; Q280-F284 WeakPolarHBondContact O-CD2 3.13Å; E281-F284 PolarHBondContact O-N 3.25Å
285	I	95.8	Very high	95.5	Very high	102 Å²	102	71.2 Å²	71.2	52%	0.523	35%	0.351	S	S	.	.			trans	-89.3	155.1	-176.4	-63	163.2	0	0	0	110.7	N247 C248 E282 E283	N247-I285 VanDerWaalsContact CA-O 3.22Å; N247-I285 WeakPolarHBondContact CA-O 3.34Å; N247-I285 VanDerWaalsContact CB-O 3.25Å; N247-I285 WeakPolarHBondContact CB-O 3.33Å; C248-I285 PolarHBondContact N-O 3.08Å; E282-I285 WeakPolarHBondContact O-CG1 3.19Å; E283-I285 VanDerWaalsContact C-N 3.28Å; E283-I285 PolarHBondContact O-N 2.94Å
286	C	96.8	Very high	95.4	Very high	18 Å²	18	66.7 Å²	66.7	12%	0.122	34%	0.336	C	S	.	.			trans	-126.1	149.3	166.9	-78.4	0	0	0	0	109.2	C248 D316 A366	C248-C286 VanDerWaalsContact CA-SG 3.54Å; C248-C286 HydrophobicContact CB-CB 3.84Å; C248-C286 WeakPolarHBondContact CB-SG 3.06Å; C248-C286 PolarHBondContact N-SG 3.14Å; C248-C286 WeakPolarHBondContact SG-CB 3.17Å; C248-C286 CovalentContact SG-SG 2.03Å; C248-C286 PolarHBondContact SG-SG 2.72Å; C286-D316 CarbonylContact C-O 3.51Å; C286-D316 WeakPolarHBondContact CA-O 3.1Å; C286-D316 WeakPolarHBondContact CB-O 3.45Å; C286-A366 HydrophobicContact CB-CB 3.7Å
287	E	96.4	Very high	95.2	Very high	128 Å²	128	70 Å²	70	60%	0.598	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.3	177.6	-62.3	-163.4	159.1	0	0	111.4	D316 N364	E287-D316 HydrophobicContact CB-CB 3.92Å; E287-D316 HydrophobicContact CG-CB 4.13Å; E287-D316 PolarHBondContact N-O 2.99Å; E287-D316 PolarHBondContact O-N 3.27Å; E287-D316 VanDerWaalsContact O-N 3.09Å; E287-D316 VanDerWaalsContact O-O 3.07Å; E287-N364 PolarHBondContact O-ND2 2.55Å
288	P	96.9	Very high	95	Very high	89 Å²	89	71.8 Å²	71.8	58%	0.578	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	153.2	-179.3	29.2	-35.7	0	0	0	112.2	A366	P288-A366 HydrophobicContact CB-CB 4.19Å
289	P	97.6	Very high	94.6	Very high	12 Å²	12	72 Å²	72	8%	0.078	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	136.1	-169.5	27.4	-34.8	0	0	0	112.8	M314 P319 A362 N364 G367 A369	P289-M314 CarbonylContact C-O 3.57Å; P289-M314 WeakPolarHBondContact CA-O 3.46Å; P289-P319 HydrophobicContact CB-CB 3.79Å; P289-P319 HydrophobicContact CB-CG 4.07Å; P289-A362 HydrophobicContact CB-CB 4.04Å; P289-A362 WeakPolarHBondContact CG-O 3.43Å; P289-N364 WeakPolarHBondContact CD-OD1 3.43Å; P289-G367 WeakPolarHBondContact CD-O 3.26Å; P289-G367 WeakPolarHBondContact CG-O 3.37Å; P289-A369 HydrophobicContact CB-CB 4.31Å; P289-A369 HydrophobicContact CG-CB 3.95Å; P289-A369 WeakPolarHBondContact O-CB 3.45Å
290	L	96.9	Very high	94.5	Very high	111 Å²	111	79.2 Å²	79.2	58%	0.581	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.4	174.6	-179.6	62.8	0	0	0	110.3	T292 A313 M314	L290-T292 HydrophobicContact CG-CG2 4.45Å; L290-T292 PolarHBondContact O-N 2.8Å; L290-A313 CarbonylContact O-C 3.55Å; L290-A313 VanDerWaalsContact O-CA 3.23Å; L290-A313 WeakPolarHBondContact O-CA 3.28Å; L290-M314 PolarHBondContact N-O 3.26Å; L290-M314 PolarHBondContact O-N 2.91Å
291	I	96.6	Very high	94.3	Very high	24 Å²	24	73.6 Å²	73.6	12%	0.123	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.1	175.2	-61.1	170.6	0	0	0	109	H294 K312 A313 A362 A369 A371	I291-H294 HydrophobicContact CG2-CB 4.09Å; I291-K312 CarbonylContact C-O 3.49Å; I291-A313 HydrophobicContact CG1-CB 4.11Å; I291-A362 HydrophobicContact CD1-CB 4.22Å; I291-A362 HydrophobicContact CG1-CB 3.9Å; I291-A369 HydrophobicContact CD1-CB 4.25Å; I291-A369 HydrophobicContact CG1-CB 4.29Å; I291-A371 HydrophobicContact CB-CB 4.33Å; I291-A371 HydrophobicContact CD1-CB 3.65Å; I291-A371 HydrophobicContact CG2-CB 3.88Å
292	T	94.8	Very high	94	Very high	62 Å²	62	74.1 Å²	74.1	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-24.9	-176.2	56.9	0	0	0	0	113.6	L290 K312 M314	L290-T292 HydrophobicContact CG-CG2 4.45Å; L290-T292 PolarHBondContact O-N 2.8Å; T292-K312 PolarHBondContact N-O 3.49Å; T292-K312 PolarHBondContact OG1-O 3.13Å; T292-M314 HydrophobicContact CG2-CE 3.76Å; T292-M314 HydrophobicContact CG2-CG 3.95Å; T292-M314 HydrophobicContact CG2-SD 3.95Å
293	K	93.4	Very high	93.8	Very high	128 Å²	128	70.3 Å²	70.3	56%	0.557	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	134	174.7	-59.4	-170.7	178.7	-169.9	0	109.7	C311 K312	K293-C311 CarbonylContact O-C 3.53Å; K293-C311 VanDerWaalsContact O-CA 3.3Å; K293-C311 WeakPolarHBondContact O-CA 3.4Å; K293-K312 HydrophobicContact CB-CB 4.31Å; K293-K312 PolarHBondContact N-O 3.29Å; K293-K312 VanDerWaalsContact N-O 3.16Å; K293-K312 PolarHBondContact O-N 3.06Å
294	H	94.9	Very high	93.4	Very high	95 Å²	95	70.2 Å²	70.2	44%	0.44	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	110.4	173.4	51.9	-86.1	0	0	0	108.5	I291 K310 A371 V373	I291-H294 HydrophobicContact CG2-CB 4.09Å; H294-K310 CarbonylContact C-O 3.57Å; H294-K310 VanDerWaalsContact CA-O 3.29Å; H294-K310 WeakPolarHBondContact CA-O 3.48Å; H294-A371 HydrophobicContact CB-CB 3.87Å; H294-V373 HydrophobicContact CB-CG2 3.9Å
295	Y	94.3	Very high	93.1	Very high	112 Å²	112	73.5 Å²	73.5	44%	0.439	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	159	-179.6	67.4	-76.1	0	0	0	113.2	K310	Y295-K310 HydrophobicContact CD1-CB 4.07Å; Y295-K310 HydrophobicContact CE1-CB 3.7Å; Y295-K310 HydrophobicContact CE1-CD 4.24Å; Y295-K310 HydrophobicContact CE2-CD 4.31Å; Y295-K310 PolarHBondContact N-O 3.29Å; Y295-K310 PolarHBondContact O-N 2.83Å; Y295-K310 WeakPolarHBondContact OH-CD 3.37Å
296	S	93.8	Very high	93	Very high	21 Å²	21	70.1 Å²	70.1	15%	0.147	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.1	168.4	179.9	0	0	0	0	110.4	K298 V307 T308 L309	S296-K298 PolarHBondContact O-N 3.02Å; S296-K298 PolarHBondContact OG-N 2.86Å; S296-K298 VanDerWaalsContact OG-N 3.14Å; S296-K298 PolarHBondContact OG-O 2.78Å; S296-V307 WeakPolarHBondContact OG-CG2 3.44Å; S296-T308 CarbonylContact C-O 3.59Å; S296-T308 WeakPolarHBondContact CA-O 3.32Å; S296-L309 WeakPolarHBondContact OG-CD2 3.12Å
297	S	92.1	Very high	92.9	Very high	68 Å²	68	69.5 Å²	69.5	48%	0.476	37%	0.368	S	S	.	.	S	Bend	trans	-68.1	-19.3	169.2	62.3	0	0	0	0	113.3	T308	S297-T308 PolarHBondContact N-O 2.95Å; S297-T308 WeakPolarHBondContact OG-CB 3.46Å; S297-T308 PolarHBondContact OG-N 3.39Å; S297-T308 PolarHBondContact OG-O 3.07Å
298	K	88.5	Confident	92.9	Very high	70 Å²	70	65.1 Å²	65.1	30%	0.304	35%	0.35	S	S	.	.			trans	-144	120.2	175.7	-65	175.6	-174.7	165.6	0	110	S296 Y300 V301 G306 V307	S296-K298 PolarHBondContact O-N 3.02Å; S296-K298 PolarHBondContact OG-N 2.86Å; S296-K298 VanDerWaalsContact OG-N 3.14Å; S296-K298 PolarHBondContact OG-O 2.78Å; K298-Y300 VanDerWaalsContact C-N 3.31Å; K298-V301 HydrophobicContact CB-CG2 3.83Å; K298-V301 HydrophobicContact CD-CG2 4.37Å; K298-G306 PolarHBondContact NZ-O 2.73Å; K298-G306 VanDerWaalsContact NZ-O 3.08Å; K298-V307 HydrophobicContact CB-CG2 4.06Å
299	P	85.3	Confident	92.9	Very high	84 Å²	84	60.9 Å²	60.9	55%	0.545	32%	0.322	S	S	.	.	S	Bend	trans	-72.3	-28.4	173.3	28.2	-32.8	0	0	0	112.2	S376	P299-S376 PolarHBondContact O-N 3.42Å
300	Y	91.6	Very high	92.8	Very high	154 Å²	154	64.6 Å²	64.6	60%	0.604	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.7	175.1	-59.2	-76.9	0	0	0	109.9	K298 S376	K298-Y300 VanDerWaalsContact C-N 3.31Å; Y300-S376 WeakPolarHBondContact CA-O 3.41Å; Y300-S376 VanDerWaalsContact CD1-CB 3.44Å
301	V	91.4	Very high	92.7	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.3	-176.8	-169.8	0	0	0	0	109.4	K298 Q305 V307 T350 I375 S376 M377 I378	K298-V301 HydrophobicContact CB-CG2 3.83Å; K298-V301 HydrophobicContact CD-CG2 4.37Å; V301-Q305 HydrophobicContact CG1-CB 3.93Å; V301-V307 HydrophobicContact CG1-CB 4.36Å; V301-V307 HydrophobicContact CG2-CB 3.83Å; V301-V307 HydrophobicContact CG2-CG1 4.28Å; V301-V307 HydrophobicContact CG2-CG2 3.78Å; V301-T350 HydrophobicContact CG1-CG2 4.03Å; V301-T350 WeakPolarHBondContact CG1-OG1 3.27Å; V301-I375 HydrophobicContact CB-CG2 4.41Å; V301-I375 HydrophobicContact CG2-CG2 3.71Å; V301-S376 PolarHBondContact N-O 2.96Å; V301-M377 HydrophobicContact CB-CE 4.3Å; V301-M377 HydrophobicContact CB-SD 3.97Å; V301-M377 HydrophobicContact CG1-CE 4.45Å; V301-M377 WeakPolarHBondContact O-CA 3.34Å; V301-M377 WeakPolarHBondContact O-CE 3.45Å; V301-I378 PolarHBondContact O-N 2.93Å
302	M	89.6	Confident	92.7	Very high	75 Å²	75	63.8 Å²	63.8	37%	0.369	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	140.3	171.1	-61.6	-147.9	-55	0	0	110.6	G304 Q305 T350 I378	M302-G304 PolarHBondContact O-N 2.66Å; M302-Q305 HydrophobicContact CB-CG 4.28Å; M302-Q305 VanDerWaalsContact O-CB 3.31Å; M302-Q305 WeakPolarHBondContact O-CB 3.3Å; M302-Q305 PolarHBondContact O-N 3.29Å; M302-T350 PolarHBondContact O-OG1 3.46Å; M302-I378 WeakPolarHBondContact CA-O 3.43Å; M302-I378 HydrophobicContact CG-CB 4.15Å; M302-I378 HydrophobicContact CG-CG2 4.17Å; M302-I378 HydrophobicContact SD-CG2 4.4Å
303	E	90.9	Very high	92.7	Very high	68 Å²	68	61.1 Å²	61.1	32%	0.318	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	135.5	176.3	-178.7	158.7	-124.1	0	0	112	Q305 L352 M377 I378	E303-Q305 VanDerWaalsContact C-N 3.33Å; E303-Q305 PolarHBondContact O-N 3.19Å; E303-L352 PolarHBondContact OE1-N 2.62Å; E303-M377 HydrophobicContact CB-CE 4.36Å; E303-I378 PolarHBondContact N-O 3.38Å
304	G	87.7	Confident	92.9	Very high	46 Å²	46	59.5 Å²	59.5	47%	0.474	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-13.5	-174.1	0	0	0	0	0	115.5	M302 T350	M302-G304 PolarHBondContact O-N 2.66Å; G304-T350 PolarHBondContact N-O 3.04Å
305	Q	90.4	Very high	92.9	Very high	75 Å²	75	56 Å²	56	35%	0.35	30%	0.298	S	S	.	.			trans	-80.7	158.8	174.1	-66.3	-164.7	6.6	0	0	112.9	V301 M302 E303 T350	V301-Q305 HydrophobicContact CG1-CB 3.93Å; M302-Q305 HydrophobicContact CB-CG 4.28Å; M302-Q305 VanDerWaalsContact O-CB 3.31Å; M302-Q305 WeakPolarHBondContact O-CB 3.3Å; M302-Q305 PolarHBondContact O-N 3.29Å; E303-Q305 VanDerWaalsContact C-N 3.33Å; E303-Q305 PolarHBondContact O-N 3.19Å; Q305-T350 WeakPolarHBondContact O-CB 3.43Å; Q305-T350 WeakPolarHBondContact O-CG2 3.16Å; Q305-T350 PolarHBondContact O-N 3Å; Q305-T350 PolarHBondContact O-OG1 3.13Å
306	G	93.1	Very high	93	Very high	32 Å²	32	51.9 Å²	51.9	33%	0.33	28%	0.283	S	S	.	.			trans	-83.7	151.4	167.7	0	0	0	0	0	114	K298 I347 L348	K298-G306 PolarHBondContact NZ-O 2.73Å; K298-G306 VanDerWaalsContact NZ-O 3.08Å; G306-I347 CarbonylContact C-O 3.59Å; G306-I347 WeakPolarHBondContact CA-O 3.37Å; G306-L348 WeakPolarHBondContact CA-O 3.37Å; G306-L348 PolarHBondContact N-O 2.75Å
307	V	95.2	Very high	93.1	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.8	174.1	67.1	0	0	0	0	111.3	S296 K298 V301 L309 I347 T350 I375	S296-V307 WeakPolarHBondContact OG-CG2 3.44Å; K298-V307 HydrophobicContact CB-CG2 4.06Å; V301-V307 HydrophobicContact CG1-CB 4.36Å; V301-V307 HydrophobicContact CG2-CB 3.83Å; V301-V307 HydrophobicContact CG2-CG1 4.28Å; V301-V307 HydrophobicContact CG2-CG2 3.78Å; V307-L309 HydrophobicContact CG2-CD2 4.38Å; V307-I347 HydrophobicContact CG1-CB 4.01Å; V307-I347 HydrophobicContact CG1-CD1 4.29Å; V307-I347 HydrophobicContact CG1-CG1 4.37Å; V307-I347 PolarHBondContact N-O 2.89Å; V307-I347 PolarHBondContact O-N 3.27Å; V307-T350 HydrophobicContact CB-CG2 4.45Å; V307-T350 HydrophobicContact CG1-CG2 3.55Å; V307-I375 HydrophobicContact CG1-CD1 4.25Å
308	T	96.2	Very high	93.2	Very high	36 Å²	36	54.7 Å²	54.7	22%	0.221	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.9	-175.8	-57.7	0	0	0	0	109.9	S296 S297 K310 T344 D346	S296-T308 CarbonylContact C-O 3.59Å; S296-T308 WeakPolarHBondContact CA-O 3.32Å; S297-T308 PolarHBondContact N-O 2.95Å; S297-T308 WeakPolarHBondContact OG-CB 3.46Å; S297-T308 PolarHBondContact OG-N 3.39Å; S297-T308 PolarHBondContact OG-O 3.07Å; T308-K310 HydrophobicContact CG2-CD 4.48Å; T308-K310 HydrophobicContact CG2-CG 4.12Å; T308-T344 HydrophobicContact CG2-CG2 3.59Å; T308-D346 VanDerWaalsContact CA-OD1 3.27Å; T308-D346 WeakPolarHBondContact CA-OD1 3.44Å; T308-D346 WeakPolarHBondContact CB-OD1 3.41Å; T308-D346 WeakPolarHBondContact CG2-OD1 3.17Å; T308-D346 PolarHBondContact OG1-OD1 2.92Å
309	L	96.1	Very high	93.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.7	176.6	-47.2	-178.1	0	0	0	109.3	S296 V307 W323 T344 L345 I347 F358 V373 I375	S296-L309 WeakPolarHBondContact OG-CD2 3.12Å; V307-L309 HydrophobicContact CG2-CD2 4.38Å; L309-W323 HydrophobicContact CB-CH2 3.55Å; L309-W323 HydrophobicContact CB-CZ2 3.73Å; L309-W323 HydrophobicContact CB-CZ3 4.11Å; L309-W323 HydrophobicContact CD1-CE3 4.41Å; L309-W323 HydrophobicContact CD1-CH2 4.43Å; L309-W323 HydrophobicContact CD1-CZ3 4.14Å; L309-T344 CarbonylContact O-C 3.55Å; L309-T344 WeakPolarHBondContact O-CA 3.45Å; L309-L345 HydrophobicContact CB-CB 4.37Å; L309-L345 HydrophobicContact CD1-CD2 4.18Å; L309-L345 HydrophobicContact CD1-CG 4.49Å; L309-L345 PolarHBondContact N-O 2.89Å; L309-L345 PolarHBondContact O-N 3.32Å; L309-I347 HydrophobicContact CD1-CD1 4.25Å; L309-F358 HydrophobicContact CD1-CB 3.83Å; L309-F358 HydrophobicContact CD1-CD1 3.9Å; L309-F358 HydrophobicContact CD1-CD2 4.01Å; L309-F358 HydrophobicContact CD1-CE1 4.49Å; L309-F358 HydrophobicContact CD1-CG 3.64Å; L309-V373 HydrophobicContact CD2-CG1 4.12Å; L309-I375 HydrophobicContact CD1-CD1 4.02Å; L309-I375 HydrophobicContact CD2-CD1 3.63Å; L309-I375 HydrophobicContact CD2-CG1 4.13Å; L309-I375 HydrophobicContact CG-CD1 4.36Å
310	K	95.6	Very high	94	Very high	90 Å²	90	53.4 Å²	53.4	39%	0.391	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.5	-179	-77.8	172.5	178.1	175.1	0	109.8	H294 Y295 T308 T344	H294-K310 CarbonylContact C-O 3.57Å; H294-K310 VanDerWaalsContact CA-O 3.29Å; H294-K310 WeakPolarHBondContact CA-O 3.48Å; Y295-K310 HydrophobicContact CD1-CB 4.07Å; Y295-K310 HydrophobicContact CE1-CB 3.7Å; Y295-K310 HydrophobicContact CE1-CD 4.24Å; Y295-K310 HydrophobicContact CE2-CD 4.31Å; Y295-K310 PolarHBondContact N-O 3.29Å; Y295-K310 PolarHBondContact O-N 2.83Å; Y295-K310 WeakPolarHBondContact OH-CD 3.37Å; T308-K310 HydrophobicContact CG2-CD 4.48Å; T308-K310 HydrophobicContact CG2-CG 4.12Å; K310-T344 HydrophobicContact CG-CG2 3.88Å
311	C	95.9	Very high	94.2	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.02	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.9	166.9	-168.7	0	0	0	0	109.3	K293 I321 W323 C360	K293-C311 CarbonylContact O-C 3.53Å; K293-C311 VanDerWaalsContact O-CA 3.3Å; K293-C311 WeakPolarHBondContact O-CA 3.4Å; C311-I321 HydrophobicContact CB-CG2 4.2Å; C311-W323 HydrophobicContact CB-CH2 4.02Å; C311-W323 HydrophobicContact CB-CZ2 3.44Å; C311-W323 VanDerWaalsContact CB-CZ2 3.44Å; C311-C360 HydrophobicContact CB-CB 3.67Å; C311-C360 WeakPolarHBondContact CB-SG 3.23Å; C311-C360 WeakPolarHBondContact SG-CB 3.29Å; C311-C360 CovalentContact SG-SG 2.03Å; C311-C360 PolarHBondContact SG-SG 3.3Å
312	K	95.6	Very high	94.4	Very high	116 Å²	116	51.2 Å²	51.2	50%	0.504	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.8	167.4	-179.5	168.3	-178.4	171.3	0	109.8	I291 T292 K293	I291-K312 CarbonylContact C-O 3.49Å; T292-K312 PolarHBondContact N-O 3.49Å; T292-K312 PolarHBondContact OG1-O 3.13Å; K293-K312 HydrophobicContact CB-CB 4.31Å; K293-K312 PolarHBondContact N-O 3.29Å; K293-K312 VanDerWaalsContact N-O 3.16Å; K293-K312 PolarHBondContact O-N 3.06Å
313	A	96.1	Very high	94.7	Very high	6 Å²	6	47.7 Å²	47.7	5%	0.05	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	173.9	169.6	0	0	0	0	0	111.4	L290 I291 P319 I321 A362	L290-A313 CarbonylContact O-C 3.55Å; L290-A313 VanDerWaalsContact O-CA 3.23Å; L290-A313 WeakPolarHBondContact O-CA 3.28Å; I291-A313 HydrophobicContact CG1-CB 4.11Å; A313-P319 HydrophobicContact CB-CG 3.58Å; A313-I321 HydrophobicContact CB-CD1 4.37Å; A313-A362 HydrophobicContact CB-CB 3.47Å; A313-A362 VanDerWaalsContact CB-CB 3.47Å
314	M	95.8	Very high	95	Very high	94 Å²	94	49.8 Å²	49.8	46%	0.463	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.8	171	-50	-173.5	-39.6	0	0	107.5	P289 L290 T292	P289-M314 CarbonylContact C-O 3.57Å; P289-M314 WeakPolarHBondContact CA-O 3.46Å; L290-M314 PolarHBondContact N-O 3.26Å; L290-M314 PolarHBondContact O-N 2.91Å; T292-M314 HydrophobicContact CG2-CE 3.76Å; T292-M314 HydrophobicContact CG2-CG 3.95Å; T292-M314 HydrophobicContact CG2-SD 3.95Å
315	G	95.7	Very high	95.3	Very high	21 Å²	21	48.5 Å²	48.5	22%	0.216	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	179.5	177.6	0	0	0	0	0	110.3	P317 D318	G315-P317 CarbonylContact C-O 3.51Å; G315-P317 VanDerWaalsContact C-O 3.27Å; G315-P317 CarbonylContact O-C 3.41Å; G315-D318 PolarHBondContact O-N 3.1Å
316	D	96.5	Very high	95.4	Very high	25 Å²	25	47.2 Å²	47.2	13%	0.134	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.6	173.8	-175.1	-34.5	0	0	0	108.2	H245 N247 C286 E287 N364	H245-D316 IonicContact CE1-OD1 2.75Å; H245-D316 IonicContact CE1-OD2 3.66Å; H245-D316 PolarHBondContact CE1-OD2 3.45Å; H245-D316 IonicContact NE2-OD1 3.16Å; H245-D316 PolarHBondContact NE2-OD1 2.76Å; H245-D316 VanDerWaalsContact NE2-OD1 3.13Å; H245-D316 IonicContact NE2-OD2 3.7Å; N247-D316 WeakPolarHBondContact CB-OD1 3.37Å; N247-D316 PolarHBondContact ND2-OD1 2.96Å; C286-D316 CarbonylContact C-O 3.51Å; C286-D316 WeakPolarHBondContact CA-O 3.1Å; C286-D316 WeakPolarHBondContact CB-O 3.45Å; E287-D316 HydrophobicContact CB-CB 3.92Å; E287-D316 HydrophobicContact CG-CB 4.13Å; E287-D316 PolarHBondContact N-O 2.99Å; E287-D316 PolarHBondContact O-N 3.27Å; E287-D316 VanDerWaalsContact O-N 3.09Å; E287-D316 VanDerWaalsContact O-O 3.07Å; D316-N364 PolarHBondContact O-ND2 3.22Å
317	P	96.2	Very high	95.3	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.071	26%	0.259	C	S	.	.	S	Bend	cis	-68.8	169.1	-6.3	32.7	-37.7	0	0	0	111.8	E249 G315 N364 A365	E249-P317 HydrophobicContact CG-CG 4.26Å; E249-P317 VanDerWaalsContact OE2-CB 3.3Å; E249-P317 WeakPolarHBondContact OE2-CB 3.29Å; E249-P317 VanDerWaalsContact OE2-CG 3.3Å; E249-P317 WeakPolarHBondContact OE2-CG 3.14Å; G315-P317 CarbonylContact C-O 3.51Å; G315-P317 VanDerWaalsContact C-O 3.27Å; G315-P317 CarbonylContact O-C 3.41Å; P317-N364 HydrophobicContact CG-CB 4.07Å; P317-N364 WeakPolarHBondContact O-CB 3.39Å; P317-N364 PolarHBondContact O-ND2 3.08Å; P317-A365 HydrophobicContact CG-CB 4.25Å
318	D	94.5	Very high	95	Very high	138 Å²	138	52.5 Å²	52.5	74%	0.738	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-51.6	127.9	174.1	-98.5	-43.1	0	0	0	110.9	G315	G315-D318 PolarHBondContact O-N 3.1Å
319	P	96.1	Very high	94.8	Very high	17 Å²	17	56.9 Å²	56.9	11%	0.11	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-89.1	135	-167.8	32.5	-36.6	0	0	0	114.8	P289 A313 A362 S363 N364	P289-P319 HydrophobicContact CB-CB 3.79Å; P289-P319 HydrophobicContact CB-CG 4.07Å; A313-P319 HydrophobicContact CB-CG 3.58Å; P319-A362 HydrophobicContact CB-CB 4.31Å; P319-S363 CarbonylContact C-O 3.55Å; P319-S363 WeakPolarHBondContact CA-O 3.49Å; P319-N364 HydrophobicContact CB-CB 4.04Å
320	D	94.8	Very high	94.7	Very high	110 Å²	110	60.8 Å²	60.8	59%	0.588	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.5	173.6	-66.5	-46.8	0	0	0	111.4	A362 S363	D320-A362 WeakPolarHBondContact O-CA 3.32Å; D320-S363 PolarHBondContact N-O 3.42Å; D320-S363 PolarHBondContact O-N 3.28Å; D320-S363 PolarHBondContact O-OG 2.8Å
321	I	95.4	Very high	94.6	Very high	30 Å²	30	57.3 Å²	57.3	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.8	-176.8	-65.2	173.5	0	0	0	111.2	C311 A313 A362	C311-I321 HydrophobicContact CB-CG2 4.2Å; A313-I321 HydrophobicContact CB-CD1 4.37Å; I321-A362 HydrophobicContact CG1-CB 4.44Å
322	H	95	Very high	94.4	Very high	78 Å²	78	62.9 Å²	62.9	36%	0.361	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149	178.9	-65.2	85.3	0	0	0	110.4	L330 V361	H322-L330 HydrophobicContact CB-CD1 4.09Å; H322-V361 HydrophobicContact CB-CB 4.39Å; H322-V361 PolarHBondContact N-O 2.97Å; H322-V361 PolarHBondContact O-N 3.21Å
323	W	96.3	Very high	94.3	Very high	1 Å²	1	62.4 Å²	62.4	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.6	178.7	-74.9	88.2	0	0	0	112	L309 C311 V331 G343 L345 F358 C360 V373	L309-W323 HydrophobicContact CB-CH2 3.55Å; L309-W323 HydrophobicContact CB-CZ2 3.73Å; L309-W323 HydrophobicContact CB-CZ3 4.11Å; L309-W323 HydrophobicContact CD1-CE3 4.41Å; L309-W323 HydrophobicContact CD1-CH2 4.43Å; L309-W323 HydrophobicContact CD1-CZ3 4.14Å; C311-W323 HydrophobicContact CB-CH2 4.02Å; C311-W323 HydrophobicContact CB-CZ2 3.44Å; C311-W323 VanDerWaalsContact CB-CZ2 3.44Å; W323-V331 HydrophobicContact CB-CB 4.2Å; W323-V331 HydrophobicContact CB-CG2 4.2Å; W323-V331 PolarHBondContact O-N 3.02Å; W323-G343 PolarHBondContact NE1-O 2.77Å; W323-L345 HydrophobicContact CB-CD2 3.65Å; W323-L345 HydrophobicContact CD2-CB 4.17Å; W323-L345 HydrophobicContact CD2-CD2 3.97Å; W323-L345 HydrophobicContact CE3-CD2 4.46Å; W323-L345 HydrophobicContact CG-CB 4.01Å; W323-L345 HydrophobicContact CG-CD2 3.64Å; W323-L345 HydrophobicContact CG-CG 4.47Å; W323-F358 HydrophobicContact CE3-CB 3.97Å; W323-F358 HydrophobicContact CZ3-CB 3.97Å; W323-C360 HydrophobicContact CD2-CB 4.26Å; W323-C360 HydrophobicContact CE3-CB 4.03Å; W323-C360 HydrophobicContact CH2-CB 4Å; W323-C360 HydrophobicContact CZ2-CB 4.22Å; W323-C360 HydrophobicContact CZ3-CB 3.89Å; W323-V373 HydrophobicContact CH2-CB 4.34Å; W323-V373 HydrophobicContact CH2-CG2 3.91Å; W323-V373 HydrophobicContact CZ3-CB 4.16Å; W323-V373 HydrophobicContact CZ3-CG2 4.07Å
324	R	96	Very high	94.1	Very high	112 Å²	112	66.2 Å²	66.2	42%	0.423	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136	165.8	-53.7	-177	-141.7	-116.1	-3.8	110.9	K329 F358 N359 V361	R324-K329 CarbonylContact C-O 3.1Å; R324-K329 WeakPolarHBondContact CA-O 3.49Å; R324-K329 WeakPolarHBondContact CB-O 3.28Å; R324-F358 CarbonylContact O-C 3.54Å; R324-F358 WeakPolarHBondContact O-CA 3.4Å; R324-N359 HydrophobicContact CB-CB 4.4Å; R324-N359 PolarHBondContact N-O 3.12Å; R324-N359 PolarHBondContact O-N 3.47Å; R324-V361 HydrophobicContact CG-CG2 4.16Å
325	S	94.3	Very high	93.9	Very high	19 Å²	19	67.2 Å²	67.2	13%	0.133	37%	0.369	C	S	.	.			trans	-72.1	166.3	172.8	41.1	0	0	0	0	112	D327 G328 K329	S325-D327 WeakPolarHBondContact CB-OD1 3.17Å; S325-D327 PolarHBondContact O-N 2.89Å; S325-D327 VanDerWaalsContact O-N 3.1Å; S325-D327 PolarHBondContact OG-OD1 3.04Å; S325-G328 WeakPolarHBondContact O-CA 3.2Å; S325-G328 PolarHBondContact O-N 2.9Å; S325-K329 PolarHBondContact N-O 3.16Å; S325-K329 PolarHBondContact OG-O 2.97Å
326	P	93.2	Very high	93.7	Very high	49 Å²	49	69.5 Å²	69.5	32%	0.318	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.7	179.7	-27.3	35.9	0	0	0	114.8	G328 F358	P326-G328 VanDerWaalsContact C-N 3.28Å; P326-G328 PolarHBondContact O-N 3.12Å; P326-F358 HydrophobicContact CG-CD2 3.94Å; P326-F358 HydrophobicContact CG-CE2 3.84Å; P326-F358 HydrophobicContact CG-CZ 4.35Å
327	D	90.3	Very high	93.6	Very high	97 Å²	97	68.5 Å²	68.5	52%	0.519	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	9.4	174	75.1	-19.5	0	0	0	114.1	S325 K329	S325-D327 WeakPolarHBondContact CB-OD1 3.17Å; S325-D327 PolarHBondContact O-N 2.89Å; S325-D327 VanDerWaalsContact O-N 3.1Å; S325-D327 PolarHBondContact OG-OD1 3.04Å; D327-K329 VanDerWaalsContact C-N 3.31Å; D327-K329 PolarHBondContact O-N 2.87Å; D327-K329 PolarHBondContact OD1-N 2.88Å; D327-K329 WeakPolarHBondContact OD2-CD 3.28Å; D327-K329 IonicContact OD2-NZ 3.23Å; D327-K329 PolarHBondContact OD2-NZ 3.18Å
328	G	89.4	Confident	93.5	Very high	49 Å²	49	70.7 Å²	70.7	51%	0.505	38%	0.377	S	S	.	.	S	Bend	trans	80.6	-3.8	175	0	0	0	0	0	116	S325 P326	S325-G328 WeakPolarHBondContact O-CA 3.2Å; S325-G328 PolarHBondContact O-N 2.9Å; P326-G328 VanDerWaalsContact C-N 3.28Å; P326-G328 PolarHBondContact O-N 3.12Å
329	K	92	Very high	93.5	Very high	128 Å²	128	66.2 Å²	66.2	56%	0.557	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-73.4	154.7	179	-64.9	-176.6	-176.3	63.1	0	111.8	R324 S325 D327	R324-K329 CarbonylContact C-O 3.1Å; R324-K329 WeakPolarHBondContact CA-O 3.49Å; R324-K329 WeakPolarHBondContact CB-O 3.28Å; S325-K329 PolarHBondContact N-O 3.16Å; S325-K329 PolarHBondContact OG-O 2.97Å; D327-K329 VanDerWaalsContact C-N 3.31Å; D327-K329 PolarHBondContact O-N 2.87Å; D327-K329 PolarHBondContact OD1-N 2.88Å; D327-K329 WeakPolarHBondContact OD2-CD 3.28Å; D327-K329 IonicContact OD2-NZ 3.23Å; D327-K329 PolarHBondContact OD2-NZ 3.18Å
330	L	93.7	Very high	93.4	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.435	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-73.9	133.2	170.2	-174.5	61.8	0	0	0	109.5	H322 H332	H322-L330 HydrophobicContact CB-CD1 4.09Å; L330-H332 VanDerWaalsContact CD2-CE1 3.48Å; L330-H332 WeakPolarHBondContact CD2-CE1 3.49Å; L330-H332 PolarHBondContact O-CD2 2.87Å
331	V	93.6	Very high	93	Very high	16 Å²	16	73.5 Å²	73.5	10%	0.097	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-84.9	134.4	176.8	-176.3	0	0	0	0	109.4	W323 T337 L345 F358	W323-V331 HydrophobicContact CB-CB 4.2Å; W323-V331 HydrophobicContact CB-CG2 4.2Å; W323-V331 PolarHBondContact O-N 3.02Å; V331-T337 HydrophobicContact CG1-CG2 4.32Å; V331-L345 HydrophobicContact CB-CD2 4.28Å; V331-L345 HydrophobicContact CG1-CD1 3.83Å; V331-L345 HydrophobicContact CG1-CD2 3.92Å; V331-L345 HydrophobicContact CG2-CD2 4.22Å; V331-F358 HydrophobicContact CG2-CE1 4.4Å
332	H	91.9	Very high	92.8	Very high	121 Å²	121	77 Å²	77	56%	0.56	40%	0.403	S	S	*	.			trans	-129.9	159.6	-179.7	-63.8	-79.9	0	0	0	110.9	L330 N334 T337	L330-H332 VanDerWaalsContact CD2-CE1 3.48Å; L330-H332 WeakPolarHBondContact CD2-CE1 3.49Å; L330-H332 PolarHBondContact O-CD2 2.87Å; H332-N334 PolarHBondContact O-N 3.18Å; H332-N334 PolarHBondContact O-ND2 3.01Å; H332-T337 PolarHBondContact O-OG1 3.48Å
333	N	93.3	Very high	92.6	Very high	105 Å²	105	73.4 Å²	73.4	56%	0.561	39%	0.387	S	S	*	.			trans	-64.8	127.4	176.5	-70.4	-0.2	0	0	0	111	T337 L339	N333-T337 WeakPolarHBondContact CA-O 3.4Å; N333-L339 PolarHBondContact ND2-O 2.86Å; N333-L339 WeakPolarHBondContact OD1-CA 3.33Å; N333-L339 VanDerWaalsContact OD1-CB 3.23Å; N333-L339 WeakPolarHBondContact OD1-CB 3.3Å; N333-L339 PolarHBondContact OD1-N 3.34Å
334	N	92.1	Very high	92.5	Very high	86 Å²	86	74.1 Å²	74.1	46%	0.46	39%	0.391	S	S	.	.	S	Bend	trans	-155.9	-172.8	178.9	63.1	69.6	0	0	0	109.9	H332 R336 T337	H332-N334 PolarHBondContact O-N 3.18Å; H332-N334 PolarHBondContact O-ND2 3.01Å; N334-R336 PolarHBondContact O-N 2.88Å; N334-R336 WeakPolarHBondContact OD1-CA 3.2Å; N334-R336 VanDerWaalsContact OD1-CB 3.26Å; N334-R336 WeakPolarHBondContact OD1-CB 3.23Å; N334-R336 PolarHBondContact OD1-N 2.85Å; N334-T337 PolarHBondContact N-O 3Å; N334-T337 PolarHBondContact ND2-OG1 3.08Å; N334-T337 PolarHBondContact OD1-N 2.85Å
335	S	91	Very high	92.5	Very high	116 Å²	116	68.8 Å²	68.8	81%	0.811	37%	0.371	S	S	*	.	S	Bend	trans	-62.3	-9.6	-179.1	53.1	0	0	0	0	115.5
336	R	92.9	Very high	92.6	Very high	68 Å²	68	69.3 Å²	69.3	26%	0.257	37%	0.372	S	S	.	.	S	Bend	trans	-121.8	-24.5	-173.2	-161.3	-178.5	75	93.7	-7.9	113.8	N334 I347 L348 I349 D354	N334-R336 PolarHBondContact O-N 2.88Å; N334-R336 WeakPolarHBondContact OD1-CA 3.2Å; N334-R336 VanDerWaalsContact OD1-CB 3.26Å; N334-R336 WeakPolarHBondContact OD1-CB 3.23Å; N334-R336 PolarHBondContact OD1-N 2.85Å; R336-I347 CarbonylContact O-C 3.33Å; R336-L348 PolarHBondContact O-N 2.92Å; R336-I349 VanDerWaalsContact CD-O 3.24Å; R336-I349 WeakPolarHBondContact CD-O 3.47Å; R336-I349 HydrophobicContact CG-CB 4.13Å; R336-I349 WeakPolarHBondContact CG-O 3.18Å; R336-I349 PolarHBondContact NH1-O 3.35Å; R336-D354 IonicContact CZ-OD1 3.83Å; R336-D354 IonicContact CZ-OD2 3.13Å; R336-D354 IonicContact NH1-OD1 3.66Å; R336-D354 PolarHBondContact NH1-OD1 3.38Å; R336-D354 VanDerWaalsContact NH1-OD1 3.08Å; R336-D354 IonicContact NH1-OD2 3.39Å; R336-D354 PolarHBondContact NH1-OD2 3.01Å; R336-D354 IonicContact NH2-OD1 2.68Å; R336-D354 PolarHBondContact NH2-OD1 3.41Å; R336-D354 IonicContact NH2-OD2 3.7Å
337	T	93.5	Very high	92.7	Very high	5 Å²	5	67 Å²	67	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.1	-177.1	52.9	0	0	0	0	112.4	V331 H332 N333 N334 L345 D346 I347	V331-T337 HydrophobicContact CG1-CG2 4.32Å; H332-T337 PolarHBondContact O-OG1 3.48Å; N333-T337 WeakPolarHBondContact CA-O 3.4Å; N334-T337 PolarHBondContact N-O 3Å; N334-T337 PolarHBondContact ND2-OG1 3.08Å; N334-T337 PolarHBondContact OD1-N 2.85Å; T337-L345 HydrophobicContact CG2-CD1 4.36Å; T337-D346 CarbonylContact C-O 3.6Å; T337-D346 VanDerWaalsContact CA-O 3.27Å; T337-D346 WeakPolarHBondContact CA-O 3.49Å; T337-I347 HydrophobicContact CG2-CB 4.29Å; T337-I347 HydrophobicContact CG2-CG1 4.03Å; T337-I347 HydrophobicContact CG2-CG2 4.03Å
338	I	95	Very high	92.9	Very high	56 Å²	56	66.3 Å²	66.3	29%	0.287	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117	177	-57.7	178.9	0	0	0	108.6	Y340 L345 D346 L348	I338-Y340 HydrophobicContact CB-CE2 4.33Å; I338-Y340 HydrophobicContact CG2-CD2 4.23Å; I338-Y340 HydrophobicContact CG2-CE1 4.17Å; I338-Y340 HydrophobicContact CG2-CE2 3.78Å; I338-L345 CarbonylContact O-C 3.27Å; I338-L345 WeakPolarHBondContact O-CA 3.38Å; I338-D346 PolarHBondContact N-O 2.96Å; I338-D346 PolarHBondContact O-N 2.95Å; I338-L348 HydrophobicContact CD1-CD1 4.06Å; I338-L348 HydrophobicContact CD1-CD2 4.26Å; I338-L348 HydrophobicContact CD1-CG 4.45Å; I338-L348 HydrophobicContact CG1-CD1 4.37Å
339	L	94.3	Very high	93	Very high	45 Å²	45	68.4 Å²	68.4	24%	0.236	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.1	166.7	-175	66.3	0	0	0	109	N333 L345	N333-L339 PolarHBondContact ND2-O 2.86Å; N333-L339 WeakPolarHBondContact OD1-CA 3.33Å; N333-L339 VanDerWaalsContact OD1-CB 3.23Å; N333-L339 WeakPolarHBondContact OD1-CB 3.3Å; N333-L339 PolarHBondContact OD1-N 3.34Å; L339-L345 HydrophobicContact CD1-CB 4.37Å
340	Y	93.1	Very high	93	Very high	98 Å²	98	62.4 Å²	62.4	38%	0.384	33%	0.326	S	S	.	.			trans	-108.1	149.4	175.9	-63.5	-90.4	0	0	0	111	I338 N342 G343 T344 D346	I338-Y340 HydrophobicContact CB-CE2 4.33Å; I338-Y340 HydrophobicContact CG2-CD2 4.23Å; I338-Y340 HydrophobicContact CG2-CE1 4.17Å; I338-Y340 HydrophobicContact CG2-CE2 3.78Å; Y340-N342 WeakPolarHBondContact CB-OD1 3.3Å; Y340-N342 PolarHBondContact O-N 2.82Å; Y340-G343 PolarHBondContact O-N 3.05Å; Y340-T344 HydrophobicContact CD2-CG2 4.31Å; Y340-T344 WeakPolarHBondContact CD2-O 3.41Å; Y340-T344 PolarHBondContact N-O 3.31Å; Y340-D346 HydrophobicContact CE2-CB 4.17Å; Y340-D346 WeakPolarHBondContact CE2-OD2 3.25Å; Y340-D346 PolarHBondContact OH-OD2 3.03Å
341	D	87.7	Confident	92.8	Very high	181 Å²	181	60.5 Å²	60.5	97%	0.968	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.1	178.7	-41.7	-38.8	0	0	0	113.5	G343	D341-G343 VanDerWaalsContact C-N 3.25Å; D341-G343 PolarHBondContact O-N 3.2Å
342	N	89.8	Confident	92.6	Very high	105 Å²	105	63.9 Å²	63.9	56%	0.561	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	5.4	175.5	70.8	20.9	0	0	0	114.6	Y340 T344	Y340-N342 WeakPolarHBondContact CB-OD1 3.3Å; Y340-N342 PolarHBondContact O-N 2.82Å; N342-T344 WeakPolarHBondContact OD1-CB 3.43Å; N342-T344 PolarHBondContact OD1-N 2.92Å; N342-T344 PolarHBondContact OD1-OG1 3.09Å
343	G	90.9	Very high	92.5	Very high	2 Å²	2	67.2 Å²	67.2	2%	0.021	35%	0.348	C	S	.	.	S	Bend	trans	84.7	2.1	-179.1	0	0	0	0	0	115.8	W323 Y340 D341	W323-G343 PolarHBondContact NE1-O 2.77Å; Y340-G343 PolarHBondContact O-N 3.05Å; D341-G343 VanDerWaalsContact C-N 3.25Å; D341-G343 PolarHBondContact O-N 3.2Å
344	T	94.9	Very high	92.3	Very high	16 Å²	16	62.6 Å²	62.6	10%	0.098	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.4	175.8	-53.5	0	0	0	0	111	T308 L309 K310 Y340 N342	T308-T344 HydrophobicContact CG2-CG2 3.59Å; L309-T344 CarbonylContact O-C 3.55Å; L309-T344 WeakPolarHBondContact O-CA 3.45Å; K310-T344 HydrophobicContact CG-CG2 3.88Å; Y340-T344 HydrophobicContact CD2-CG2 4.31Å; Y340-T344 WeakPolarHBondContact CD2-O 3.41Å; Y340-T344 PolarHBondContact N-O 3.31Å; N342-T344 WeakPolarHBondContact OD1-CB 3.43Å; N342-T344 PolarHBondContact OD1-N 2.92Å; N342-T344 PolarHBondContact OD1-OG1 3.09Å
345	L	96.1	Very high	92.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.1	172.2	166.2	58.2	0	0	0	109.5	L309 W323 V331 T337 I338 L339 I347 F358	L309-L345 HydrophobicContact CB-CB 4.37Å; L309-L345 HydrophobicContact CD1-CD2 4.18Å; L309-L345 HydrophobicContact CD1-CG 4.49Å; L309-L345 PolarHBondContact N-O 2.89Å; L309-L345 PolarHBondContact O-N 3.32Å; W323-L345 HydrophobicContact CB-CD2 3.65Å; W323-L345 HydrophobicContact CD2-CB 4.17Å; W323-L345 HydrophobicContact CD2-CD2 3.97Å; W323-L345 HydrophobicContact CE3-CD2 4.46Å; W323-L345 HydrophobicContact CG-CB 4.01Å; W323-L345 HydrophobicContact CG-CD2 3.64Å; W323-L345 HydrophobicContact CG-CG 4.47Å; V331-L345 HydrophobicContact CB-CD2 4.28Å; V331-L345 HydrophobicContact CG1-CD1 3.83Å; V331-L345 HydrophobicContact CG1-CD2 3.92Å; V331-L345 HydrophobicContact CG2-CD2 4.22Å; T337-L345 HydrophobicContact CG2-CD1 4.36Å; I338-L345 CarbonylContact O-C 3.27Å; I338-L345 WeakPolarHBondContact O-CA 3.38Å; L339-L345 HydrophobicContact CD1-CB 4.37Å; L345-I347 HydrophobicContact CG-CG1 4.35Å; L345-F358 HydrophobicContact CD2-CD1 4.31Å; L345-F358 HydrophobicContact CD2-CE1 4.5Å
346	D	95.6	Very high	92.4	Very high	29 Å²	29	56.5 Å²	56.5	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.9	167	-82.3	-23.1	0	0	0	110.7	T308 T337 I338 Y340	T308-D346 VanDerWaalsContact CA-OD1 3.27Å; T308-D346 WeakPolarHBondContact CA-OD1 3.44Å; T308-D346 WeakPolarHBondContact CB-OD1 3.41Å; T308-D346 WeakPolarHBondContact CG2-OD1 3.17Å; T308-D346 PolarHBondContact OG1-OD1 2.92Å; T337-D346 CarbonylContact C-O 3.6Å; T337-D346 VanDerWaalsContact CA-O 3.27Å; T337-D346 WeakPolarHBondContact CA-O 3.49Å; I338-D346 PolarHBondContact N-O 2.96Å; I338-D346 PolarHBondContact O-N 2.95Å; Y340-D346 HydrophobicContact CE2-CB 4.17Å; Y340-D346 WeakPolarHBondContact CE2-OD2 3.25Å; Y340-D346 PolarHBondContact OH-OD2 3.03Å
347	I	95.4	Very high	92.5	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105.3	169	-48.7	-178.8	0	0	0	106.2	G306 V307 L309 R336 T337 L345 T350 F358 I375	G306-I347 CarbonylContact C-O 3.59Å; G306-I347 WeakPolarHBondContact CA-O 3.37Å; V307-I347 HydrophobicContact CG1-CB 4.01Å; V307-I347 HydrophobicContact CG1-CD1 4.29Å; V307-I347 HydrophobicContact CG1-CG1 4.37Å; V307-I347 PolarHBondContact N-O 2.89Å; V307-I347 PolarHBondContact O-N 3.27Å; L309-I347 HydrophobicContact CD1-CD1 4.25Å; R336-I347 CarbonylContact O-C 3.33Å; T337-I347 HydrophobicContact CG2-CB 4.29Å; T337-I347 HydrophobicContact CG2-CG1 4.03Å; T337-I347 HydrophobicContact CG2-CG2 4.03Å; L345-I347 HydrophobicContact CG-CG1 4.35Å; I347-T350 HydrophobicContact CB-CG2 4.24Å; I347-T350 HydrophobicContact CG2-CG2 3.82Å; I347-F358 HydrophobicContact CD1-CE1 3.84Å; I347-F358 HydrophobicContact CD1-CE2 4.06Å; I347-F358 HydrophobicContact CD1-CZ 3.48Å; I347-F358 VanDerWaalsContact CD1-CZ 3.48Å; I347-I375 HydrophobicContact CD1-CD1 4.45Å
348	L	94.1	Very high	92.7	Very high	83 Å²	83	55 Å²	55	44%	0.435	29%	0.29	S	S	.	.	S	Bend	trans	-70.2	-37.6	-173.1	-57.9	179.7	0	0	0	112.5	G306 R336 I338	G306-L348 WeakPolarHBondContact CA-O 3.37Å; G306-L348 PolarHBondContact N-O 2.75Å; R336-L348 PolarHBondContact O-N 2.92Å; I338-L348 HydrophobicContact CD1-CD1 4.06Å; I338-L348 HydrophobicContact CD1-CD2 4.26Å; I338-L348 HydrophobicContact CD1-CG 4.45Å; I338-L348 HydrophobicContact CG1-CD1 4.37Å
349	I	91.4	Very high	92.7	Very high	93 Å²	93	55 Å²	55	48%	0.477	29%	0.291	S	S	.	.	S	Bend	trans	-133.5	106.1	179.6	-49.7	176.7	0	0	0	107.7	R336	R336-I349 VanDerWaalsContact CD-O 3.24Å; R336-I349 WeakPolarHBondContact CD-O 3.47Å; R336-I349 HydrophobicContact CG-CB 4.13Å; R336-I349 WeakPolarHBondContact CG-O 3.18Å; R336-I349 PolarHBondContact NH1-O 3.35Å
350	T	91.7	Very high	92.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.279	C	S	.	.			trans	-81.6	151.4	175.2	52.4	0	0	0	0	112.1	V301 M302 G304 Q305 V307 I347 M377	V301-T350 HydrophobicContact CG1-CG2 4.03Å; V301-T350 WeakPolarHBondContact CG1-OG1 3.27Å; M302-T350 PolarHBondContact O-OG1 3.46Å; G304-T350 PolarHBondContact N-O 3.04Å; Q305-T350 WeakPolarHBondContact O-CB 3.43Å; Q305-T350 WeakPolarHBondContact O-CG2 3.16Å; Q305-T350 PolarHBondContact O-N 3Å; Q305-T350 PolarHBondContact O-OG1 3.13Å; V307-T350 HydrophobicContact CB-CG2 4.45Å; V307-T350 HydrophobicContact CG1-CG2 3.55Å; I347-T350 HydrophobicContact CB-CG2 4.24Å; I347-T350 HydrophobicContact CG2-CG2 3.82Å; T350-M377 HydrophobicContact CG2-SD 4.29Å; T350-M377 WeakPolarHBondContact OG1-CE 3.49Å
351	T	90.9	Very high	93	Very high	44 Å²	44	48.6 Å²	48.6	27%	0.27	26%	0.264	S	S	.	.			trans	-131.2	160.7	179.2	69.3	0	0	0	0	109.3	K353 D354 M377	T351-K353 PolarHBondContact O-N 3.25Å; T351-K353 PolarHBondContact OG1-N 3.17Å; T351-D354 WeakPolarHBondContact CA-OD2 3.34Å; T351-D354 PolarHBondContact N-OD2 3.16Å; T351-D354 WeakPolarHBondContact O-CB 3.4Å; T351-D354 PolarHBondContact O-N 3.11Å; T351-D354 PolarHBondContact OG1-OD2 3.24Å; T351-M377 WeakPolarHBondContact O-CG 3.49Å
352	L	89.4	Confident	93.4	Very high	86 Å²	86	40 Å²	40	45%	0.45	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-56.1	-19.3	175.3	-65.2	-179.9	0	0	0	114.5	E303 D354 M377 P379	E303-L352 PolarHBondContact OE1-N 2.62Å; L352-D354 VanDerWaalsContact C-N 3.3Å; L352-D354 PolarHBondContact O-N 2.99Å; L352-M377 HydrophobicContact CD2-CB 3.95Å; L352-P379 HydrophobicContact CD1-CB 4.27Å; L352-P379 HydrophobicContact CD2-CB 4.05Å
353	K	88.6	Confident	93.8	Very high	192 Å²	192	36.3 Å²	36.3	84%	0.835	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-76.2	-13.2	176.1	-64.1	-178.3	-179.4	176.7	0	114.2	T351 S355	T351-K353 PolarHBondContact O-N 3.25Å; T351-K353 PolarHBondContact OG1-N 3.17Å; K353-S355 VanDerWaalsContact C-N 3.32Å
354	D	90.1	Very high	94	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-86.3	-2.5	177.7	-58.5	-73.7	0	0	0	112.8	R336 T351 L352 G356 F358	R336-D354 IonicContact CZ-OD1 3.83Å; R336-D354 IonicContact CZ-OD2 3.13Å; R336-D354 IonicContact NH1-OD1 3.66Å; R336-D354 PolarHBondContact NH1-OD1 3.38Å; R336-D354 VanDerWaalsContact NH1-OD1 3.08Å; R336-D354 IonicContact NH1-OD2 3.39Å; R336-D354 PolarHBondContact NH1-OD2 3.01Å; R336-D354 IonicContact NH2-OD1 2.68Å; R336-D354 PolarHBondContact NH2-OD1 3.41Å; R336-D354 IonicContact NH2-OD2 3.7Å; T351-D354 WeakPolarHBondContact CA-OD2 3.34Å; T351-D354 PolarHBondContact N-OD2 3.16Å; T351-D354 WeakPolarHBondContact O-CB 3.4Å; T351-D354 PolarHBondContact O-N 3.11Å; T351-D354 PolarHBondContact OG1-OD2 3.24Å; L352-D354 VanDerWaalsContact C-N 3.3Å; L352-D354 PolarHBondContact O-N 2.99Å; D354-G356 PolarHBondContact O-N 3.39Å; D354-F358 HydrophobicContact CB-CE2 4.31Å; D354-F358 HydrophobicContact CB-CZ 4.26Å; D354-F358 WeakPolarHBondContact O-CE2 3.46Å
355	S	92.4	Very high	94	Very high	55 Å²	55	39.6 Å²	39.6	39%	0.385	23%	0.225	S	C	.	.			trans	-69.4	128.9	178.1	-148.1	0	0	0	0	111.1	K353 I375 M377	K353-S355 VanDerWaalsContact C-N 3.32Å; S355-I375 WeakPolarHBondContact CA-O 3.21Å; S355-I375 PolarHBondContact OG-O 3.06Å; S355-M377 PolarHBondContact OG-N 3.01Å
356	G	93.1	Very high	93.9	Very high	20 Å²	20	41.7 Å²	41.7	21%	0.206	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.7	-160.7	178.4	0	0	0	0	0	113.3	D354 E374 I375	D354-G356 PolarHBondContact O-N 3.39Å; G356-E374 WeakPolarHBondContact O-CA 3.31Å; G356-I375 PolarHBondContact N-O 3.26Å; G356-I375 PolarHBondContact O-N 2.69Å
357	S	95.1	Very high	93.9	Very high	37 Å²	37	41.4 Å²	41.4	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.8	-177	-178.8	0	0	0	0	112.4	N359 A372	S357-N359 PolarHBondContact OG-OD1 3.14Å; S357-A372 VanDerWaalsContact OG-CB 3.3Å; S357-A372 WeakPolarHBondContact OG-CB 3.22Å
358	F	95.9	Very high	94	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.5	161.8	-78.4	-98.5	0	0	0	109.3	L309 W323 R324 P326 V331 L345 I347 D354 A372 V373 I375	L309-F358 HydrophobicContact CD1-CB 3.83Å; L309-F358 HydrophobicContact CD1-CD1 3.9Å; L309-F358 HydrophobicContact CD1-CD2 4.01Å; L309-F358 HydrophobicContact CD1-CE1 4.49Å; L309-F358 HydrophobicContact CD1-CG 3.64Å; W323-F358 HydrophobicContact CE3-CB 3.97Å; W323-F358 HydrophobicContact CZ3-CB 3.97Å; R324-F358 CarbonylContact O-C 3.54Å; R324-F358 WeakPolarHBondContact O-CA 3.4Å; P326-F358 HydrophobicContact CG-CD2 3.94Å; P326-F358 HydrophobicContact CG-CE2 3.84Å; P326-F358 HydrophobicContact CG-CZ 4.35Å; V331-F358 HydrophobicContact CG2-CE1 4.4Å; L345-F358 HydrophobicContact CD2-CD1 4.31Å; L345-F358 HydrophobicContact CD2-CE1 4.5Å; I347-F358 HydrophobicContact CD1-CE1 3.84Å; I347-F358 HydrophobicContact CD1-CE2 4.06Å; I347-F358 HydrophobicContact CD1-CZ 3.48Å; I347-F358 VanDerWaalsContact CD1-CZ 3.48Å; D354-F358 HydrophobicContact CB-CE2 4.31Å; D354-F358 HydrophobicContact CB-CZ 4.26Å; D354-F358 WeakPolarHBondContact O-CE2 3.46Å; F358-A372 CarbonylContact O-C 3.45Å; F358-V373 PolarHBondContact N-O 2.98Å; F358-V373 PolarHBondContact O-N 2.81Å; F358-I375 HydrophobicContact CD2-CD1 3.55Å; F358-I375 HydrophobicContact CD2-CG1 4.05Å; F358-I375 HydrophobicContact CE2-CD1 3.53Å; F358-I375 HydrophobicContact CE2-CG1 4.34Å
359	N	96.4	Very high	94.1	Very high	56 Å²	56	44.3 Å²	44.3	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.5	-178.8	-60.2	-64.8	0	0	0	109.7	R324 S357 A371	R324-N359 HydrophobicContact CB-CB 4.4Å; R324-N359 PolarHBondContact N-O 3.12Å; R324-N359 PolarHBondContact O-N 3.47Å; S357-N359 PolarHBondContact OG-OD1 3.14Å; N359-A371 CarbonylContact C-O 3.48Å; N359-A371 WeakPolarHBondContact CA-O 3.19Å
360	C	96.7	Very high	94.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.9	163.8	175.6	0	0	0	0	109	C311 W323 T370 A371	C311-C360 HydrophobicContact CB-CB 3.67Å; C311-C360 WeakPolarHBondContact CB-SG 3.23Å; C311-C360 WeakPolarHBondContact SG-CB 3.29Å; C311-C360 CovalentContact SG-SG 2.03Å; C311-C360 PolarHBondContact SG-SG 3.3Å; W323-C360 HydrophobicContact CD2-CB 4.26Å; W323-C360 HydrophobicContact CE3-CB 4.03Å; W323-C360 HydrophobicContact CH2-CB 4Å; W323-C360 HydrophobicContact CZ2-CB 4.22Å; W323-C360 HydrophobicContact CZ3-CB 3.89Å; C360-T370 CarbonylContact O-C 3.51Å; C360-T370 VanDerWaalsContact O-CA 3.22Å; C360-T370 WeakPolarHBondContact O-CA 3.49Å; C360-A371 PolarHBondContact N-O 2.8Å; C360-A371 PolarHBondContact O-N 2.96Å
361	V	96.6	Very high	94.6	Very high	9 Å²	9	45 Å²	45	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.3	177.3	-173.7	0	0	0	0	106.7	H322 R324 I368 A369 T370	H322-V361 HydrophobicContact CB-CB 4.39Å; H322-V361 PolarHBondContact N-O 2.97Å; H322-V361 PolarHBondContact O-N 3.21Å; R324-V361 HydrophobicContact CG-CG2 4.16Å; V361-I368 HydrophobicContact CG1-CG2 3.61Å; V361-A369 WeakPolarHBondContact CA-O 3.45Å; V361-T370 HydrophobicContact CB-CG2 4.49Å; V361-T370 HydrophobicContact CG1-CG2 4.24Å; V361-T370 HydrophobicContact CG2-CG2 4.18Å
362	A	97.1	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.8	171.2	0	0	0	0	0	108.7	P289 I291 A313 P319 D320 I321 I368 A369	P289-A362 HydrophobicContact CB-CB 4.04Å; P289-A362 WeakPolarHBondContact CG-O 3.43Å; I291-A362 HydrophobicContact CD1-CB 4.22Å; I291-A362 HydrophobicContact CG1-CB 3.9Å; A313-A362 HydrophobicContact CB-CB 3.47Å; A313-A362 VanDerWaalsContact CB-CB 3.47Å; P319-A362 HydrophobicContact CB-CB 4.31Å; D320-A362 WeakPolarHBondContact O-CA 3.32Å; I321-A362 HydrophobicContact CG1-CB 4.44Å; A362-I368 CarbonylContact O-C 3.59Å; A362-I368 WeakPolarHBondContact O-CA 3.38Å; A362-A369 PolarHBondContact N-O 3.05Å; A362-A369 PolarHBondContact O-N 2.89Å
363	S	96.4	Very high	95.2	Very high	28 Å²	28	41.9 Å²	41.9	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.9	-175.4	48.7	0	0	0	0	112.3	P319 D320 G367	P319-S363 CarbonylContact C-O 3.55Å; P319-S363 WeakPolarHBondContact CA-O 3.49Å; D320-S363 PolarHBondContact N-O 3.42Å; D320-S363 PolarHBondContact O-N 3.28Å; D320-S363 PolarHBondContact O-OG 2.8Å; S363-G367 WeakPolarHBondContact CA-O 3.14Å
364	N	96.3	Very high	95.4	Very high	27 Å²	27	39.6 Å²	39.6	14%	0.144	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	-173.6	170.9	76.2	3.4	0	0	0	111.2	E287 P289 D316 P317 P319 A366 G367	E287-N364 PolarHBondContact O-ND2 2.55Å; P289-N364 WeakPolarHBondContact CD-OD1 3.43Å; D316-N364 PolarHBondContact O-ND2 3.22Å; P317-N364 HydrophobicContact CG-CB 4.07Å; P317-N364 WeakPolarHBondContact O-CB 3.39Å; P317-N364 PolarHBondContact O-ND2 3.08Å; P319-N364 HydrophobicContact CB-CB 4.04Å; N364-A366 PolarHBondContact O-N 3.42Å; N364-A366 PolarHBondContact OD1-N 3Å; N364-G367 PolarHBondContact N-O 2.83Å; N364-G367 PolarHBondContact O-N 3.45Å; N364-G367 PolarHBondContact OD1-N 3.01Å; N364-G367 VanDerWaalsContact OD1-N 3.13Å
365	A	94.3	Very high	95.6	Very high	60 Å²	60	39.3 Å²	39.3	50%	0.496	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.1	-178.9	0	0	0	0	0	114.6	E249 P317	E249-A365 HydrophobicContact CG-CB 3.93Å; P317-A365 HydrophobicContact CG-CB 4.25Å
366	A	95.4	Very high	95.6	Very high	45 Å²	45	38.8 Å²	38.8	37%	0.372	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-21.7	178.3	0	0	0	0	0	114.2	C286 P288 N364	C286-A366 HydrophobicContact CB-CB 3.7Å; P288-A366 HydrophobicContact CB-CB 4.19Å; N364-A366 PolarHBondContact O-N 3.42Å; N364-A366 PolarHBondContact OD1-N 3Å
367	G	95.6	Very high	95.5	Very high	23 Å²	23	38.8 Å²	38.8	24%	0.237	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-163.4	178.4	0	0	0	0	0	116.4	P289 S363 N364	P289-G367 WeakPolarHBondContact CD-O 3.26Å; P289-G367 WeakPolarHBondContact CG-O 3.37Å; S363-G367 WeakPolarHBondContact CA-O 3.14Å; N364-G367 PolarHBondContact N-O 2.83Å; N364-G367 PolarHBondContact O-N 3.45Å; N364-G367 PolarHBondContact OD1-N 3.01Å; N364-G367 VanDerWaalsContact OD1-N 3.13Å
368	I	96.6	Very high	95.2	Very high	121 Å²	121	40.5 Å²	40.5	62%	0.621	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.4	-176.1	-53.4	177.8	0	0	0	109.2	V361 A362	V361-I368 HydrophobicContact CG1-CG2 3.61Å; A362-I368 CarbonylContact O-C 3.59Å; A362-I368 WeakPolarHBondContact O-CA 3.38Å
369	A	97.1	Very high	94.7	Very high	23 Å²	23	44 Å²	44	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.9	171.3	0	0	0	0	0	110.5	P289 I291 V361 A362	P289-A369 HydrophobicContact CB-CB 4.31Å; P289-A369 HydrophobicContact CG-CB 3.95Å; P289-A369 WeakPolarHBondContact O-CB 3.45Å; I291-A369 HydrophobicContact CD1-CB 4.25Å; I291-A369 HydrophobicContact CG1-CB 4.29Å; V361-A369 WeakPolarHBondContact CA-O 3.45Å; A362-A369 PolarHBondContact N-O 3.05Å; A362-A369 PolarHBondContact O-N 2.89Å
370	T	96.9	Very high	93.7	Very high	97 Å²	97	46.2 Å²	46.2	60%	0.595	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.3	-177.4	57.1	0	0	0	0	111.6	C360 V361	C360-T370 CarbonylContact O-C 3.51Å; C360-T370 VanDerWaalsContact O-CA 3.22Å; C360-T370 WeakPolarHBondContact O-CA 3.49Å; V361-T370 HydrophobicContact CB-CG2 4.49Å; V361-T370 HydrophobicContact CG1-CG2 4.24Å; V361-T370 HydrophobicContact CG2-CG2 4.18Å
371	A	96.4	Very high	92.4	Very high	12 Å²	12	50.6 Å²	50.6	10%	0.099	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.4	175.7	0	0	0	0	0	111	I291 H294 N359 C360	I291-A371 HydrophobicContact CB-CB 4.33Å; I291-A371 HydrophobicContact CD1-CB 3.65Å; I291-A371 HydrophobicContact CG2-CB 3.88Å; H294-A371 HydrophobicContact CB-CB 3.87Å; N359-A371 CarbonylContact C-O 3.48Å; N359-A371 WeakPolarHBondContact CA-O 3.19Å; C360-A371 PolarHBondContact N-O 2.8Å; C360-A371 PolarHBondContact O-N 2.96Å
372	A	96	Very high	90.4	Very high	56 Å²	56	57.6 Å²	57.6	46%	0.463	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	141.3	177.8	0	0	0	0	0	111.3	S357 F358	S357-A372 VanDerWaalsContact OG-CB 3.3Å; S357-A372 WeakPolarHBondContact OG-CB 3.22Å; F358-A372 CarbonylContact O-C 3.45Å
373	V	95.6	Very high	88.1	Confident	8 Å²	8	67 Å²	67	5%	0.048	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	114.4	169	179	0	0	0	0	107.6	H294 L309 W323 F358	H294-V373 HydrophobicContact CB-CG2 3.9Å; L309-V373 HydrophobicContact CD2-CG1 4.12Å; W323-V373 HydrophobicContact CH2-CB 4.34Å; W323-V373 HydrophobicContact CH2-CG2 3.91Å; W323-V373 HydrophobicContact CZ3-CB 4.16Å; W323-V373 HydrophobicContact CZ3-CG2 4.07Å; F358-V373 PolarHBondContact N-O 2.98Å; F358-V373 PolarHBondContact O-N 2.81Å
374	E	94.1	Very high	85.7	Confident	145 Å²	145	71.2 Å²	71.2	68%	0.678	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.8	-174.7	-170.8	166.1	-149.7	0	0	112	G356	G356-E374 WeakPolarHBondContact O-CA 3.31Å
375	I	93.7	Very high	83.4	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.005	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.1	174.6	-44.3	178.4	0	0	0	109.1	V301 V307 L309 I347 S355 G356 F358 M377	V301-I375 HydrophobicContact CB-CG2 4.41Å; V301-I375 HydrophobicContact CG2-CG2 3.71Å; V307-I375 HydrophobicContact CG1-CD1 4.25Å; L309-I375 HydrophobicContact CD1-CD1 4.02Å; L309-I375 HydrophobicContact CD2-CD1 3.63Å; L309-I375 HydrophobicContact CD2-CG1 4.13Å; L309-I375 HydrophobicContact CG-CD1 4.36Å; I347-I375 HydrophobicContact CD1-CD1 4.45Å; S355-I375 WeakPolarHBondContact CA-O 3.21Å; S355-I375 PolarHBondContact OG-O 3.06Å; G356-I375 PolarHBondContact N-O 3.26Å; G356-I375 PolarHBondContact O-N 2.69Å; F358-I375 HydrophobicContact CD2-CD1 3.55Å; F358-I375 HydrophobicContact CD2-CG1 4.05Å; F358-I375 HydrophobicContact CE2-CD1 3.53Å; F358-I375 HydrophobicContact CE2-CG1 4.34Å; I375-M377 HydrophobicContact CG2-SD 4.35Å
376	S	92.8	Very high	80.6	Confident	44 Å²	44	81.2 Å²	81.2	31%	0.308	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.4	171.1	-72.4	0	0	0	0	110.8	P299 Y300 V301	P299-S376 PolarHBondContact O-N 3.42Å; Y300-S376 WeakPolarHBondContact CA-O 3.41Å; Y300-S376 VanDerWaalsContact CD1-CB 3.44Å; V301-S376 PolarHBondContact N-O 2.96Å
377	M	91.9	Very high	78.2	Confident	20 Å²	20	85.6 Å²	85.6	10%	0.099	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.3	179.6	-68.8	-57.3	-49.7	0	0	112.1	V301 E303 T350 T351 L352 S355 I375	V301-M377 HydrophobicContact CB-CE 4.3Å; V301-M377 HydrophobicContact CB-SD 3.97Å; V301-M377 HydrophobicContact CG1-CE 4.45Å; V301-M377 WeakPolarHBondContact O-CA 3.34Å; V301-M377 WeakPolarHBondContact O-CE 3.45Å; E303-M377 HydrophobicContact CB-CE 4.36Å; T350-M377 HydrophobicContact CG2-SD 4.29Å; T350-M377 WeakPolarHBondContact OG1-CE 3.49Å; T351-M377 WeakPolarHBondContact O-CG 3.49Å; L352-M377 HydrophobicContact CD2-CB 3.95Å; S355-M377 PolarHBondContact OG-N 3.01Å; I375-M377 HydrophobicContact CG2-SD 4.35Å
378	I	88.6	Confident	75.5	Confident	73 Å²	73	87.8 Å²	87.8	37%	0.374	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122	172.8	-61.8	176.2	0	0	0	108.2	V301 M302 E303	V301-I378 PolarHBondContact O-N 2.93Å; M302-I378 WeakPolarHBondContact CA-O 3.43Å; M302-I378 HydrophobicContact CG-CB 4.15Å; M302-I378 HydrophobicContact CG-CG2 4.17Å; M302-I378 HydrophobicContact SD-CG2 4.4Å; E303-I378 PolarHBondContact N-O 3.38Å
379	P	84.4	Confident	72.6	Confident	77 Å²	77	91.1 Å²	91.1	50%	0.5	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-67.4	147.2	176.4	28.3	-34.4	0	0	0	111.4	L352	L352-P379 HydrophobicContact CD1-CB 4.27Å; L352-P379 HydrophobicContact CD2-CB 4.05Å
380	L	76.2	Confident	69.5	Low	102 Å²	102	97 Å²	97	53%	0.534	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-68.3	132.1	175	-155	73.7	0	0	0	109.8	L382	L380-L382 PolarHBondContact O-N 2.8Å; L380-L382 VanDerWaalsContact O-N 3.09Å
381	P	69.6	Low	66.4	Low	91 Å²	91	104.3 Å²	104.3	59%	0.591	56%	0.561	S	S	*	*			trans	-66.7	111.6	-177.8	25	-33.8	0	0	0	111.5	F383	P381-F383 PolarHBondContact O-N 2.93Å
382	L	53.8	Low	63.3	Low	156 Å²	156	110.8 Å²	110.8	82%	0.817	59%	0.589	S	S	*	*			trans	-71.5	111	173.9	-67.2	174.1	0	0	0	110.2	L380 V384	L380-L382 PolarHBondContact O-N 2.8Å; L380-L382 VanDerWaalsContact O-N 3.09Å; L382-V384 VanDerWaalsContact C-N 3.31Å; L382-V384 HydrophobicContact CB-CG2 4.46Å; L382-V384 PolarHBondContact O-N 3.38Å
383	F	49.6	Very low	60.2	Low	197 Å²	197	115 Å²	115	86%	0.864	60%	0.604	S	S	*	*			trans	-70.4	85.7	169.5	-80.2	-87.2	0	0	0	110.6	P381 N385	P381-F383 PolarHBondContact O-N 2.93Å; F383-N385 PolarHBondContact O-N 3.06Å
384	V	44.6	Very low	57.8	Low	117 Å²	117	120.4 Å²	120.4	71%	0.709	64%	0.639	S	S	*	*			trans	-72.2	94.3	173.9	-175.6	0	0	0	0	109.2	L382 N386	L382-V384 VanDerWaalsContact C-N 3.31Å; L382-V384 HydrophobicContact CB-CG2 4.46Å; L382-V384 PolarHBondContact O-N 3.38Å; V384-N386 HydrophobicContact CG1-CB 4.29Å; V384-N386 PolarHBondContact O-N 2.82Å
385	N	47.7	Very low	54.6	Low	155 Å²	155	116.8 Å²	116.8	83%	0.829	64%	0.641	S	S	*	*			trans	-77.8	83.4	-178	-169.9	20.7	0	0	0	111.3	F383	F383-N385 PolarHBondContact O-N 3.06Å
386	N	37	Very low	51.7	Low	142 Å²	142	125.3 Å²	125.3	76%	0.759	69%	0.685	S	S	*	*			trans	-121.7	101.5	-174.5	-132.2	16.4	0	0	0	112.3	V384 G388	V384-N386 HydrophobicContact CG1-CB 4.29Å; V384-N386 PolarHBondContact O-N 2.82Å; N386-G388 PolarHBondContact O-N 2.8Å
387	T	44.5	Very low	48.8	Very low	138 Å²	138	128.4 Å²	128.4	85%	0.847	71%	0.707	S	S	*	*			trans	-79.7	109.5	169.8	49.8	0	0	0	0	109.9
388	G	38.8	Very low	46	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	74%	0.741	S	S	*	*			trans	-162.2	33	-164.3	0	0	0	0	0	120.7	N386	N386-G388 PolarHBondContact O-N 2.8Å
389	H	35.4	Very low	43.5	Very low	191 Å²	191	138.8 Å²	138.8	88%	0.884	76%	0.762	S	S	*	*			trans	64.6	153.9	165.2	-114.4	-87.1	0	0	0	120.1
390	M	33	Very low	41.1	Very low	146 Å²	146	140.6 Å²	140.6	72%	0.719	77%	0.772	S	S	*	*			trans	-79.2	155.4	-168.2	-63.2	156.8	152.3	0	0	116
391	R	29.8	Very low	38.9	Very low	250 Å²	250	142.6 Å²	142.6	94%	0.943	79%	0.789	S	S	*	*				-151.1	118.1	122.3	-111.1	177.9	-179.6	-175.2	-1.3	111.2
392	E	31.9	Very low	37.3	Very low	148 Å²	148	143.5 Å²	143.5	69%	0.692	80%	0.797	S	S	*	*			trans	-71.5	155.7	160.6	-67.3	153.8	129	0	0	108.1
393	D	32.1	Very low	36.3	Very low	146 Å²	146	142 Å²	142	78%	0.781	80%	0.8	S	S	*	*				-161.9	176.7	53.9	-99.7	-40.5	0	0	0	109.7
394	P	44.2	Very low	35.6	Very low	120 Å²	120	142.7 Å²	142.7	78%	0.779	80%	0.802	S	S	*	*			cis	-131.7	147	-45.5	35.7	-19.8	0	0	0	111.7
395	G	27.9	Very low	35	Very low	69 Å²	69	142.3 Å²	142.3	71%	0.711	81%	0.811	S	S	*	*			trans	-161.4	59.9	-171.2	0	0	0	0	0	118.2
396	L	31.6	Very low	34.2	Very low	180 Å²	180	138.4 Å²	138.4	94%	0.942	81%	0.808	S	S	*	*			trans	43.4	102.4	167.9	-78.8	78.6	0	0	0	117
397	S	32.3	Very low	34	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	81%	0.813	S	S	*	*			trans	-108.3	130.4	165.6	-53.9	0	0	0	0	111.8
398	D	33.8	Very low	33.2	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	81%	0.814	S	S	*	*			trans	39.9	148	136.7	-54.6	-26.9	0	0	0	123.4
399	I	35.3	Very low	33.1	Very low	161 Å²	161	142.8 Å²	142.8	83%	0.826	81%	0.814	S	S	*	*			trans	-178.3	128.5	135.8	-96.2	148.4	0	0	0	107.5
400	T	34.1	Very low	32.8	Very low	116 Å²	116	143.8 Å²	143.8	71%	0.712	82%	0.816	S	S	*	*			cis	-156.6	155.6	-5.6	21.8	0	0	0	0	111.2
401	T	29.8	Very low	33.1	Very low	144 Å²	144	140.3 Å²	140.3	88%	0.883	82%	0.818	S	S	*	*			trans	-137.1	106	143.3	54.9	0	0	0	0	111.2
402	S	36.4	Very low	33.2	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	82%	0.817	S	S	*	*			trans	-175	133.3	150.8	-175	0	0	0	0	111.4
403	S	32.3	Very low	33.4	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	82%	0.819	S	S	*	*			trans	-170	120.8	139.6	15.5	0	0	0	0	110.1
404	K	36.1	Very low	33.6	Very low	212 Å²	212	141.7 Å²	141.7	92%	0.922	82%	0.823	S	S	*	*			trans	-138.9	97.3	171.9	-175.5	-176	178.9	-176.5	0	109.1
405	A	31.2	Very low	33.2	Very low	108 Å²	108	143.5 Å²	143.5	89%	0.893	82%	0.821	S	S	*	*			trans	-141.4	150.6	168.1	0	0	0	0	0	107.7
406	G	30.2	Very low	33.9	Very low	74 Å²	74	147.1 Å²	147.1	76%	0.763	82%	0.824	S	S	*	*			trans	-121.1	173.5	-164.5	0	0	0	0	0	115.4
407	N	32.9	Very low	35	Very low	161 Å²	161	146.6 Å²	146.6	86%	0.861	81%	0.814	S	S	*	*			trans	53.1	106.6	173.3	-79.3	4	0	0	0	118
408	D	28.9	Very low	36.5	Very low	162 Å²	162	150.5 Å²	150.5	87%	0.866	81%	0.812	S	S	*	*				-142.2	151.4	121.4	-144.8	-20.2	0	0	0	110.4
409	T	35.6	Very low	38.7	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.724	78%	0.776	S	S	*	*			trans	-99.5	106.2	-167.8	41.5	0	0	0	0	114.3
410	K	29.7	Very low	40.9	Very low	211 Å²	211	140.5 Å²	140.5	92%	0.917	76%	0.76	S	S	*	*			trans	-162.4	129.2	145.1	-100.8	134.5	-169.3	171.1	0	110.3
411	G	40.1	Very low	43.3	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	74%	0.737	S	S	*	*			trans	-81.9	133.8	-176.1	0	0	0	0	0	113.2
412	Y	30.9	Very low	45.6	Very low	236 Å²	236	131.9 Å²	131.9	93%	0.925	71%	0.707	S	S	*	*			trans	-145.2	156.1	145.4	-102.7	-77.4	0	0	0	108.2
413	D	36.7	Very low	47.7	Very low	138 Å²	138	132.4 Å²	132.4	74%	0.738	70%	0.697	S	S	*	*			trans	-65.1	149.5	-156.3	-142.5	-42.4	0	0	0	115.5	Q415	D413-Q415 PolarHBondContact OD1-N 3.37Å
414	K	36.2	Very low	50.1	Low	199 Å²	199	130 Å²	130	87%	0.865	68%	0.675	S	S	*	*			trans	-156.4	25.6	-179.7	-123.9	174	-172.6	176.2	0	115
415	Q	36.3	Very low	52.4	Low	158 Å²	158	122.6 Å²	122.6	74%	0.738	65%	0.647	S	S	*	*			trans	-78.1	-25.7	178.3	-71.5	-168.3	-30.3	0	0	115.1	D413 K417	D413-Q415 PolarHBondContact OD1-N 3.37Å; Q415-K417 PolarHBondContact O-N 3.21Å
416	D	42.6	Very low	54.9	Low	145 Å²	145	118.5 Å²	118.5	78%	0.775	61%	0.612	S	S	*	*	S	Bend	trans	-71.8	26.1	-169	-82.8	-5	0	0	0	117.5
417	K	53.4	Low	57.5	Low	170 Å²	170	117.5 Å²	117.5	74%	0.739	59%	0.593	S	S	*	*	S	Bend	trans	-134.7	36.5	-178.1	-73	-154.1	172	-152	0	115.3	Q415	Q415-K417 PolarHBondContact O-N 3.21Å
418	R	64.8	Low	60.2	Low	192 Å²	192	110.9 Å²	110.9	73%	0.725	56%	0.559	S	S	*	*	S	Bend	trans	-138.9	158.6	170.3	-67.1	-170.7	177.3	-172	-2.3	111.6	P434	R418-P434 WeakPolarHBondContact O-CD 3.39Å
419	V	79.3	Confident	63.1	Low	4 Å²	4	103.1 Å²	103.1	2%	0.024	52%	0.518	C	S	.	.			trans	-67	130.3	163.6	179.6	0	0	0	0	107.5	I431 W433 V484 V504	V419-I431 HydrophobicContact CG1-CG2 3.38Å; V419-W433 HydrophobicContact CG2-CB 4.16Å; V419-V484 HydrophobicContact CG1-CG2 3.95Å; V419-V484 HydrophobicContact CG2-CB 4.13Å; V419-V484 HydrophobicContact CG2-CG2 3.96Å; V419-V504 HydrophobicContact CB-CG1 4.31Å; V419-V504 HydrophobicContact CG1-CG1 3.86Å
420	L	82.5	Confident	65.6	Low	95 Å²	95	98.1 Å²	98.1	50%	0.497	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140	-177.4	-69.7	166.1	0	0	0	109.4	I431 R432	L420-I431 CarbonylContact O-C 3.56Å; L420-I431 WeakPolarHBondContact O-CA 3.48Å; L420-R432 PolarHBondContact N-O 3.23Å; L420-R432 PolarHBondContact O-N 3.14Å
421	V	83.3	Confident	68.5	Low	39 Å²	39	88 Å²	88	24%	0.236	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137	168.6	-171.1	0	0	0	0	108.5	L424 A429 V504 F506	V421-L424 HydrophobicContact CG1-CD1 3.55Å; V421-A429 HydrophobicContact CG1-CB 3.98Å; V421-V504 HydrophobicContact CG2-CB 4.39Å; V421-V504 HydrophobicContact CG2-CG1 3.6Å; V421-V504 HydrophobicContact CG2-CG2 3.87Å; V421-F506 HydrophobicContact CG1-CG 4.47Å; V421-F506 HydrophobicContact CG2-CD1 3.88Å; V421-F506 HydrophobicContact CG2-CE1 4.44Å; V421-F506 HydrophobicContact CG2-CG 4.36Å
422	T	79	Confident	70.7	Confident	41 Å²	41	89.7 Å²	89.7	25%	0.252	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.5	-175.8	49.8	0	0	0	0	109	L424 V430 R432	T422-L424 PolarHBondContact O-N 2.7Å; T422-V430 PolarHBondContact N-O 3.38Å; T422-V430 WeakPolarHBondContact O-CA 3.44Å; T422-V430 WeakPolarHBondContact O-CB 3.26Å; T422-V430 PolarHBondContact O-N 2.96Å; T422-V430 VanDerWaalsContact O-O 3.13Å; T422-V430 PolarHBondContact OG1-O 2.84Å; T422-R432 PolarHBondContact OG1-NE 3Å
423	E	80.1	Confident	73.3	Confident	121 Å²	121	79 Å²	79	57%	0.565	39%	0.385	S	S	*	.	S	Bend	trans	52.7	50.6	174.3	-65.4	151	-114.1	0	0	113	V430 R432	E423-V430 HydrophobicContact CB-CB 4.21Å; E423-V430 HydrophobicContact CB-CG2 3.94Å; E423-R432 IonicContact OE1-CZ 3.56Å; E423-R432 IonicContact OE1-NH2 3.67Å; E423-R432 PolarHBondContact OE1-NH2 2.92Å
424	L	83.3	Confident	75	Confident	74 Å²	74	74.6 Å²	74.6	39%	0.387	36%	0.364	S	S	.	.			trans	-78.8	132.8	-179.4	-151.7	79.9	0	0	0	111.4	V421 T422 A429 F506 H507	V421-L424 HydrophobicContact CG1-CD1 3.55Å; T422-L424 PolarHBondContact O-N 2.7Å; L424-A429 HydrophobicContact CD1-CB 3.51Å; L424-F506 HydrophobicContact CD1-CD2 3.55Å; L424-F506 HydrophobicContact CD1-CE2 3.98Å; L424-F506 HydrophobicContact CD1-CG 4.25Å; L424-F506 HydrophobicContact CD2-CD2 4.35Å; L424-H507 WeakPolarHBondContact CD2-O 3.38Å
425	T	84.4	Confident	76.2	Confident	55 Å²	55	68 Å²	68	34%	0.337	34%	0.342	S	S	.	.			trans	-125.3	-163.6	176.2	75.7	0	0	0	0	111.1	S427 S428 A509	T425-S427 VanDerWaalsContact C-N 3.34Å; T425-S427 PolarHBondContact OG1-N 3.24Å; T425-S427 VanDerWaalsContact OG1-N 3.12Å; T425-S428 WeakPolarHBondContact CG2-OG 3.43Å; T425-S428 PolarHBondContact N-O 2.98Å; T425-S428 PolarHBondContact OG1-N 3.49Å; T425-S428 PolarHBondContact OG1-O 2.89Å; T425-S428 PolarHBondContact OG1-OG 3.46Å; T425-A509 PolarHBondContact O-N 2.95Å
426	S	83.7	Confident	77.3	Confident	23 Å²	23	64.4 Å²	64.4	16%	0.161	33%	0.326	C	S	.	.	S	Bend	trans	-74.1	-24.2	168.6	55.9	0	0	0	0	113	A475 A476 A509 E511	S426-A475 CarbonylContact O-C 3.49Å; S426-A476 WeakPolarHBondContact O-CA 3.36Å; S426-A476 PolarHBondContact O-N 3.07Å; S426-A509 WeakPolarHBondContact CA-O 3.29Å; S426-A509 VanDerWaalsContact CB-O 3.3Å; S426-A509 WeakPolarHBondContact CB-O 3.41Å; S426-E511 PolarHBondContact OG-OE2 3.35Å
427	S	84.9	Confident	77.9	Confident	52 Å²	52	69.1 Å²	69.1	36%	0.364	33%	0.333	S	S	.	.	S	Bend	trans	-135.1	2.2	-171.1	58.5	0	0	0	0	115.5	T425 N472 D473 L474	T425-S427 VanDerWaalsContact C-N 3.34Å; T425-S427 PolarHBondContact OG1-N 3.24Å; T425-S427 VanDerWaalsContact OG1-N 3.12Å; S427-N472 CarbonylContact O-C 3.58Å; S427-D473 PolarHBondContact O-N 2.97Å; S427-L474 WeakPolarHBondContact CA-O 3.48Å; S427-L474 PolarHBondContact O-N 2.03Å
428	S	89.1	Confident	77.9	Confident	22 Å²	22	69.3 Å²	69.3	15%	0.154	34%	0.336	C	S	.	.			trans	-147.5	158	179.9	66.9	0	0	0	0	114.3	T425 I471	T425-S428 WeakPolarHBondContact CG2-OG 3.43Å; T425-S428 PolarHBondContact N-O 2.98Å; T425-S428 PolarHBondContact OG1-N 3.49Å; T425-S428 PolarHBondContact OG1-O 2.89Å; T425-S428 PolarHBondContact OG1-OG 3.46Å; S428-I471 CarbonylContact C-O 3.6Å; S428-I471 WeakPolarHBondContact CA-O 3.47Å; S428-I471 VanDerWaalsContact CB-O 3.31Å; S428-I471 WeakPolarHBondContact CB-O 3.42Å
429	A	88.8	Confident	77.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	131.5	-179.9	0	0	0	0	0	111.5	V421 L424 I471 L474 F506	V421-A429 HydrophobicContact CG1-CB 3.98Å; L424-A429 HydrophobicContact CD1-CB 3.51Å; A429-I471 PolarHBondContact N-O 3.02Å; A429-I471 PolarHBondContact O-N 3.39Å; A429-L474 HydrophobicContact CB-CD1 3.8Å; A429-F506 HydrophobicContact CB-CE2 4.07Å; A429-F506 HydrophobicContact CB-CZ 4.21Å
430	V	88.9	Confident	77	Confident	12 Å²	12	66 Å²	66	7%	0.073	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.5	173.4	179.3	0	0	0	0	110.1	T422 E423 R432 L470	T422-V430 PolarHBondContact N-O 3.38Å; T422-V430 WeakPolarHBondContact O-CA 3.44Å; T422-V430 WeakPolarHBondContact O-CB 3.26Å; T422-V430 PolarHBondContact O-N 2.96Å; T422-V430 VanDerWaalsContact O-O 3.13Å; T422-V430 PolarHBondContact OG1-O 2.84Å; E423-V430 HydrophobicContact CB-CB 4.21Å; E423-V430 HydrophobicContact CB-CG2 3.94Å; V430-R432 HydrophobicContact CG1-CG 4.28Å; V430-L470 HydrophobicContact CG2-CB 4.39Å; V430-L470 HydrophobicContact CG2-CD1 3.67Å
431	I	90.2	Very high	76.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.9	176.5	-52.9	147.5	0	0	0	108.8	V419 L420 W433 I447 N468 F469 I471 L482 V484	V419-I431 HydrophobicContact CG1-CG2 3.38Å; L420-I431 CarbonylContact O-C 3.56Å; L420-I431 WeakPolarHBondContact O-CA 3.48Å; I431-W433 HydrophobicContact CG2-CE3 4.15Å; I431-W433 HydrophobicContact CG2-CZ3 4.43Å; I431-I447 HydrophobicContact CD1-CD1 4.34Å; I431-I447 HydrophobicContact CD1-CG2 4.34Å; I431-N468 CarbonylContact O-C 3.56Å; I431-N468 WeakPolarHBondContact O-CA 3.47Å; I431-N468 VanDerWaalsContact O-CB 3.25Å; I431-N468 WeakPolarHBondContact O-CB 3.35Å; I431-F469 PolarHBondContact N-O 2.8Å; I431-F469 PolarHBondContact O-N 2.65Å; I431-I471 HydrophobicContact CD1-CD1 3.49Å; I431-I471 VanDerWaalsContact CD1-CD1 3.49Å; I431-I471 HydrophobicContact CD1-CG1 3.71Å; I431-L482 HydrophobicContact CD1-CD1 3.34Å; I431-L482 HydrophobicContact CD1-CD2 4.06Å; I431-L482 HydrophobicContact CD1-CG 4.36Å; I431-L482 HydrophobicContact CG1-CD1 4.09Å; I431-L482 HydrophobicContact CG1-CD2 4.41Å; I431-L482 HydrophobicContact CG2-CD2 4.22Å; I431-V484 HydrophobicContact CG2-CG2 4.39Å
432	R	85.7	Confident	76.1	Confident	108 Å²	108	63.5 Å²	63.5	41%	0.408	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136	176	-50.1	-175.1	-175	-158.8	-2.1	108.9	L420 T422 E423 V430 K467 N468	L420-R432 PolarHBondContact N-O 3.23Å; L420-R432 PolarHBondContact O-N 3.14Å; T422-R432 PolarHBondContact OG1-NE 3Å; E423-R432 IonicContact OE1-CZ 3.56Å; E423-R432 IonicContact OE1-NH2 3.67Å; E423-R432 PolarHBondContact OE1-NH2 2.92Å; V430-R432 HydrophobicContact CG1-CG 4.28Å; R432-K467 WeakPolarHBondContact CA-O 3.48Å; R432-N468 HydrophobicContact CB-CB 4.48Å; R432-N468 HydrophobicContact CG-CB 4.01Å
433	W	86.3	Confident	76	Confident	11 Å²	11	68.2 Å²	68.2	4%	0.042	35%	0.347	C	S	.	.			trans	-126.9	144	177.3	55.6	96	0	0	0	111.5	V419 I431 S435 Y445 I447 I462 S466 K467 F469 V484 V501	V419-W433 HydrophobicContact CG2-CB 4.16Å; I431-W433 HydrophobicContact CG2-CE3 4.15Å; I431-W433 HydrophobicContact CG2-CZ3 4.43Å; W433-S435 PolarHBondContact O-N 2.91Å; W433-Y445 AromaticContact CZ2-CD2 3.85Å; W433-Y445 HydrophobicContact CZ2-CD2 3.85Å; W433-Y445 HydrophobicContact CZ2-CE2 4.33Å; W433-Y445 HydrophobicContact CZ2-CG 4.16Å; W433-Y445 AromaticContact NE1-CD1 3.86Å; W433-Y445 AromaticContact NE1-CD2 3.68Å; W433-Y445 AromaticContact NE1-CE1 3.64Å; W433-Y445 AromaticContact NE1-CE2 3.44Å; W433-Y445 AromaticContact NE1-CG 3.89Å; W433-Y445 AromaticContact NE1-CZ 3.43Å; W433-I447 HydrophobicContact CH2-CD1 4.13Å; W433-I447 HydrophobicContact CZ3-CD1 3.95Å; W433-I462 HydrophobicContact CH2-CG2 4.27Å; W433-I462 HydrophobicContact CZ2-CG2 4.45Å; W433-S466 WeakPolarHBondContact CZ2-O 3.27Å; W433-K467 PolarHBondContact N-O 2.7Å; W433-F469 HydrophobicContact CH2-CB 4Å; W433-F469 HydrophobicContact CZ3-CB 3.95Å; W433-V484 HydrophobicContact CD2-CG1 4.17Å; W433-V484 HydrophobicContact CE3-CG1 4.45Å; W433-V484 HydrophobicContact CE3-CG2 4.37Å; W433-V484 HydrophobicContact CG-CG1 4.34Å; W433-V501 HydrophobicContact CB-CG1 4.33Å
434	P	72.9	Confident	76.2	Confident	46 Å²	46	65.6 Å²	65.6	30%	0.299	34%	0.336	S	S	.	.			trans	-65.3	133.2	176.9	27.2	-33.8	0	0	0	109.8	R418 E436	R418-P434 WeakPolarHBondContact O-CD 3.39Å; P434-E436 PolarHBondContact O-N 2.87Å
435	S	61.6	Low	76.3	Confident	59 Å²	59	62.7 Å²	62.7	41%	0.413	32%	0.32	S	S	.	.			trans	-74.3	90.1	172	58.4	0	0	0	0	109.6	W433 R437	W433-S435 PolarHBondContact O-N 2.91Å; S435-R437 PolarHBondContact O-N 3.13Å
436	E	58.4	Low	76.5	Confident	83 Å²	83	61.6 Å²	61.6	39%	0.388	31%	0.311	S	S	.	.			trans	-57	123.4	177.1	-72.3	-148.7	115.9	0	0	110.9	P434 H438	P434-E436 PolarHBondContact O-N 2.87Å; E436-H438 PolarHBondContact O-N 3.48Å
437	R	54.5	Low	76.7	Confident	245 Å²	245	60.5 Å²	60.5	93%	0.925	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	11.8	-174.2	-64.4	-170.4	179	-165.9	1.5	114.7	S435	S435-R437 PolarHBondContact O-N 3.13Å
438	H	54.4	Low	76.9	Confident	174 Å²	174	60.6 Å²	60.6	81%	0.806	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.1	16.6	-163.5	-99.4	46.4	0	0	0	116.2	E436 P440	E436-H438 PolarHBondContact O-N 3.48Å; H438-P440 WeakPolarHBondContact O-CD 3.34Å
439	I	62.4	Low	76.8	Confident	21 Å²	21	60.3 Å²	60.3	11%	0.108	29%	0.293	C	S	.	.			trans	-100.3	103.1	163.5	-52	175.2	0	0	0	108	I442 A486 Y488	I439-I442 HydrophobicContact CB-CD1 3.99Å; I439-I442 HydrophobicContact CB-CG1 3.85Å; I439-I442 HydrophobicContact CG2-CD1 4.29Å; I439-I442 HydrophobicContact CG2-CG1 3.64Å; I439-A486 HydrophobicContact CD1-CB 3.91Å; I439-Y488 HydrophobicContact CG2-CD1 4.2Å; I439-Y488 HydrophobicContact CG2-CD2 4.35Å; I439-Y488 HydrophobicContact CG2-CG 3.91Å
440	P	62.4	Low	76.8	Confident	104 Å²	104	62.9 Å²	62.9	68%	0.675	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	146.5	171.5	30	-33.8	0	0	0	110.2	H438 I442	H438-P440 WeakPolarHBondContact O-CD 3.34Å; P440-I442 PolarHBondContact O-N 2.71Å
441	G	70.7	Confident	76.6	Confident	46 Å²	46	62.5 Å²	62.5	47%	0.474	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	24.3	168.8	0	0	0	0	0	117.1	R443 Y488 D489	G441-R443 PolarHBondContact O-N 2.98Å; G441-R443 VanDerWaalsContact O-N 3.11Å; G441-Y488 VanDerWaalsContact O-CA 3.32Å; G441-Y488 WeakPolarHBondContact O-CA 3.36Å; G441-D489 PolarHBondContact O-N 3.45Å
442	I	76.3	Confident	75.9	Confident	37 Å²	37	67.3 Å²	67.3	19%	0.19	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	115.1	172.7	-50.4	175.5	0	0	0	109.9	I439 P440 Y445 S464 A486	I439-I442 HydrophobicContact CB-CD1 3.99Å; I439-I442 HydrophobicContact CB-CG1 3.85Å; I439-I442 HydrophobicContact CG2-CD1 4.29Å; I439-I442 HydrophobicContact CG2-CG1 3.64Å; P440-I442 PolarHBondContact O-N 2.71Å; I442-Y445 HydrophobicContact CD1-CE1 4.25Å; I442-Y445 WeakPolarHBondContact CD1-OH 3.27Å; I442-Y445 HydrophobicContact CG2-CE1 4.38Å; I442-S464 VanDerWaalsContact O-CB 3.29Å; I442-S464 WeakPolarHBondContact O-CB 3.22Å; I442-S464 PolarHBondContact O-OG 2.92Å; I442-A486 HydrophobicContact CG2-CB 4.36Å
443	R	76.8	Confident	75.2	Confident	139 Å²	139	65.3 Å²	65.3	53%	0.525	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-41.3	172.5	-69.3	-172.3	174.8	-176.1	6.3	111.8	G441 S464 V487 D489	G441-R443 PolarHBondContact O-N 2.98Å; G441-R443 VanDerWaalsContact O-N 3.11Å; R443-S464 WeakPolarHBondContact O-CB 3.43Å; R443-S464 PolarHBondContact O-OG 3.26Å; R443-V487 PolarHBondContact N-O 2.87Å; R443-D489 VanDerWaalsContact CZ-CG 3.49Å; R443-D489 IonicContact CZ-OD1 2.65Å; R443-D489 IonicContact CZ-OD2 2.99Å; R443-D489 IonicContact NE-OD1 2.72Å; R443-D489 PolarHBondContact NE-OD1 3.38Å; R443-D489 IonicContact NE-OD2 3.84Å; R443-D489 PolarHBondContact NE-OD2 2.97Å; R443-D489 IonicContact NH1-OD1 3.08Å; R443-D489 IonicContact NH2-OD1 2.64Å; R443-D489 PolarHBondContact NH2-OD1 2.65Å; R443-D489 IonicContact NH2-OD2 2.87Å; R443-D489 PolarHBondContact NH2-OD2 3.04Å
444	M	84.7	Confident	74.6	Confident	66 Å²	66	67.6 Å²	67.6	33%	0.325	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	161.3	-172.7	58.2	-156.5	-40.7	0	0	111	M461 I462 V487	M444-M461 HydrophobicContact CE-CB 3.87Å; M444-M461 HydrophobicContact CE-CE 3.55Å; M444-M461 HydrophobicContact CE-CG 4.36Å; M444-M461 HydrophobicContact CG-CE 3.96Å; M444-M461 HydrophobicContact SD-CE 3.74Å; M444-I462 CarbonylContact C-O 3.59Å; M444-I462 WeakPolarHBondContact CA-O 3.32Å; M444-I462 WeakPolarHBondContact CB-O 3.13Å; M444-V487 HydrophobicContact CG-CB 3.75Å; M444-V487 HydrophobicContact CG-CG1 4.42Å; M444-V487 HydrophobicContact CG-CG2 3.87Å; M444-V487 PolarHBondContact N-O 2.79Å; M444-V487 PolarHBondContact O-N 2.8Å
445	Y	85.5	Confident	73.9	Confident	13 Å²	13	73.9 Å²	73.9	5%	0.051	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.5	165.1	-61.4	-80.3	0	0	0	110	W433 I442 I462 S466 V484 L485 A486 V501	W433-Y445 AromaticContact CZ2-CD2 3.85Å; W433-Y445 HydrophobicContact CZ2-CD2 3.85Å; W433-Y445 HydrophobicContact CZ2-CE2 4.33Å; W433-Y445 HydrophobicContact CZ2-CG 4.16Å; W433-Y445 AromaticContact NE1-CD1 3.86Å; W433-Y445 AromaticContact NE1-CD2 3.68Å; W433-Y445 AromaticContact NE1-CE1 3.64Å; W433-Y445 AromaticContact NE1-CE2 3.44Å; W433-Y445 AromaticContact NE1-CG 3.89Å; W433-Y445 AromaticContact NE1-CZ 3.43Å; I442-Y445 HydrophobicContact CD1-CE1 4.25Å; I442-Y445 WeakPolarHBondContact CD1-OH 3.27Å; I442-Y445 HydrophobicContact CG2-CE1 4.38Å; Y445-I462 PolarHBondContact N-O 2.96Å; Y445-I462 PolarHBondContact O-N 3.24Å; Y445-S466 WeakPolarHBondContact CE2-O 3.14Å; Y445-V484 HydrophobicContact CD1-CG1 4.29Å; Y445-L485 CarbonylContact C-O 3.48Å; Y445-L485 VanDerWaalsContact CA-O 3.24Å; Y445-L485 WeakPolarHBondContact CA-O 3.49Å; Y445-A486 HydrophobicContact CD1-CB 4.01Å; Y445-A486 HydrophobicContact CE1-CB 3.95Å; Y445-V501 HydrophobicContact CD1-CG2 4.23Å; Y445-V501 HydrophobicContact CE1-CG2 4.11Å
446	Q	87.8	Confident	74.1	Confident	33 Å²	33	75.7 Å²	75.7	15%	0.154	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.6	168.9	-179	175.1	8.6	0	0	108	Q448 M461 L485 V487	Q446-Q448 HydrophobicContact CG-CG 4.03Å; Q446-Q448 VanDerWaalsContact NE2-NE2 3.11Å; Q446-M461 HydrophobicContact CB-CE 3.91Å; Q446-M461 HydrophobicContact CB-SD 3.81Å; Q446-M461 HydrophobicContact CG-CE 4.29Å; Q446-M461 HydrophobicContact CG-SD 3.59Å; Q446-M461 VanDerWaalsContact CG-SD 3.59Å; Q446-L485 HydrophobicContact CB-CB 4.49Å; Q446-L485 PolarHBondContact N-O 2.86Å; Q446-L485 PolarHBondContact O-N 3.15Å; Q446-V487 HydrophobicContact CB-CG2 4.36Å
447	I	88.4	Confident	75	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.2	168.8	-56.2	-178.7	0	0	0	106.9	I431 W433 Y449 Y459 R460 I462 F469 L482 C483 V484	I431-I447 HydrophobicContact CD1-CD1 4.34Å; I431-I447 HydrophobicContact CD1-CG2 4.34Å; W433-I447 HydrophobicContact CH2-CD1 4.13Å; W433-I447 HydrophobicContact CZ3-CD1 3.95Å; I447-Y449 HydrophobicContact CG2-CD1 4.38Å; I447-Y459 CarbonylContact O-C 3.57Å; I447-Y459 WeakPolarHBondContact O-CA 3.29Å; I447-R460 PolarHBondContact N-O 3.06Å; I447-R460 PolarHBondContact O-N 3.13Å; I447-I462 HydrophobicContact CD1-CD1 4.37Å; I447-I462 HydrophobicContact CD1-CG1 3.82Å; I447-I462 HydrophobicContact CG1-CG1 3.96Å; I447-F469 HydrophobicContact CD1-CB 3.61Å; I447-F469 HydrophobicContact CD1-CD1 3.8Å; I447-F469 HydrophobicContact CD1-CG 3.86Å; I447-L482 HydrophobicContact CG2-CD1 3.92Å; I447-L482 HydrophobicContact CG2-CD2 4.11Å; I447-L482 HydrophobicContact CG2-CG 4.02Å; I447-C483 WeakPolarHBondContact CA-O 3.1Å; I447-V484 HydrophobicContact CG1-CG2 4.33Å
448	Q	89.5	Confident	76.3	Confident	53 Å²	53	67.2 Å²	67.2	25%	0.248	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	174.6	-63.3	-179.9	-10.8	0	0	108.5	Q446 L457 V458 L482 C483 L485	Q446-Q448 HydrophobicContact CG-CG 4.03Å; Q446-Q448 VanDerWaalsContact NE2-NE2 3.11Å; Q448-L457 HydrophobicContact CB-CD1 4.24Å; Q448-L457 HydrophobicContact CB-CD2 4.35Å; Q448-L457 HydrophobicContact CB-CG 4.41Å; Q448-V458 CarbonylContact C-O 3.1Å; Q448-V458 WeakPolarHBondContact CA-O 3.48Å; Q448-L482 WeakPolarHBondContact O-CA 3.34Å; Q448-C483 PolarHBondContact N-O 2.81Å; Q448-C483 PolarHBondContact O-N 2.91Å; Q448-L485 HydrophobicContact CG-CD1 3.93Å
449	Y	87.4	Confident	77.7	Confident	16 Å²	16	63.7 Å²	63.7	6%	0.063	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	146.7	177.2	66	-78.6	0	0	0	113	I447 V458 R460 I471 L474 Y480 D481 L482	I447-Y449 HydrophobicContact CG2-CD1 4.38Å; Y449-V458 HydrophobicContact CD1-CB 4.2Å; Y449-V458 HydrophobicContact CD1-CG1 4.38Å; Y449-V458 HydrophobicContact CD2-CB 4.39Å; Y449-V458 HydrophobicContact CE1-CB 3.89Å; Y449-V458 HydrophobicContact CE1-CG1 3.61Å; Y449-V458 HydrophobicContact CE2-CB 4.1Å; Y449-V458 HydrophobicContact CE2-CG1 4.28Å; Y449-V458 HydrophobicContact CE2-CG2 4.48Å; Y449-V458 HydrophobicContact CG-CB 4.46Å; Y449-V458 PolarHBondContact N-O 2.96Å; Y449-V458 PolarHBondContact O-N 3.17Å; Y449-R460 HydrophobicContact CE1-CG 4.4Å; Y449-R460 PolarHBondContact OH-NE 2.72Å; Y449-R460 PolarHBondContact OH-NH2 2.79Å; Y449-I471 HydrophobicContact CD1-CD1 3.76Å; Y449-I471 HydrophobicContact CD2-CD1 4.33Å; Y449-I471 HydrophobicContact CE1-CD1 3.67Å; Y449-I471 HydrophobicContact CE2-CD1 4.25Å; Y449-I471 HydrophobicContact CE2-CG2 4.16Å; Y449-I471 HydrophobicContact CG-CD1 4.1Å; Y449-L474 HydrophobicContact CE2-CD2 4.12Å; Y449-Y480 HydrophobicContact CD2-CD1 4.21Å; Y449-Y480 HydrophobicContact CD2-CE1 4.42Å; Y449-D481 WeakPolarHBondContact CA-O 3.39Å; Y449-D481 WeakPolarHBondContact CB-O 3.05Å; Y449-L482 HydrophobicContact CG-CD1 4.34Å
450	N	87.7	Confident	78.7	Confident	55 Å²	55	66.5 Å²	66.5	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.9	172.1	66.1	-73.3	0	0	0	109.6	L457 Y480 D481	N450-L457 HydrophobicContact CB-CD1 4.05Å; N450-Y480 WeakPolarHBondContact O-CA 3.42Å; N450-Y480 WeakPolarHBondContact O-CD1 3.46Å; N450-D481 PolarHBondContact N-O 3.27Å; N450-D481 PolarHBondContact O-N 2.68Å; N450-D481 VanDerWaalsContact O-N 3.08Å
451	S	84	Confident	79.7	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	162.7	169.9	-163.8	0	0	0	0	111	A453 D454 R478 E479	S451-A453 PolarHBondContact O-N 3.18Å; S451-A453 VanDerWaalsContact O-N 3.1Å; S451-D454 WeakPolarHBondContact CB-OD2 3.06Å; S451-D454 PolarHBondContact O-N 2.89Å; S451-R478 WeakPolarHBondContact OG-CD 3.28Å; S451-E479 WeakPolarHBondContact CA-O 3.35Å; S451-E479 PolarHBondContact OG-O 2.96Å
452	T	76.8	Confident	80.4	Confident	102 Å²	102	63.7 Å²	63.7	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.2	171.8	51.6	0	0	0	0	114.3	E479	T452-E479 HydrophobicContact CG2-CB 3.96Å; T452-E479 HydrophobicContact CG2-CG 4.29Å; T452-E479 PolarHBondContact N-O 2.83Å
453	A	69.8	Low	80.7	Confident	66 Å²	66	65.6 Å²	65.6	55%	0.545	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	8.6	177.5	0	0	0	0	0	114.4	S451	S451-A453 PolarHBondContact O-N 3.18Å; S451-A453 VanDerWaalsContact O-N 3.1Å
454	D	74.6	Confident	80.8	Confident	58 Å²	58	61.3 Å²	61.3	31%	0.31	33%	0.334	S	S	.	.			trans	-115.7	115	-179.5	-63	-39.6	0	0	0	110.8	S451 T456 R478	S451-D454 WeakPolarHBondContact CB-OD2 3.06Å; S451-D454 PolarHBondContact O-N 2.89Å; D454-T456 PolarHBondContact O-N 2.81Å; D454-T456 VanDerWaalsContact O-N 3.08Å; D454-R478 IonicContact OD1-CZ 2.79Å; D454-R478 IonicContact OD1-NH1 2.62Å; D454-R478 PolarHBondContact OD1-NH1 2.82Å; D454-R478 IonicContact OD1-NH2 3.76Å; D454-R478 IonicContact OD2-NH1 2.62Å; D454-R478 PolarHBondContact OD2-NH1 3.41Å
455	D	58.2	Low	80.5	Confident	178 Å²	178	63.9 Å²	63.9	95%	0.952	35%	0.353	S	S	*	.	S	Bend	trans	-67.6	-2.1	179.3	-77.8	-26.2	0	0	0	114.1
456	T	65	Low	80.3	Confident	97 Å²	97	64.9 Å²	64.9	60%	0.595	36%	0.362	S	S	*	.	S	Bend	trans	-123.3	129.4	-172.3	51.6	0	0	0	0	112.5	D454 V458	D454-T456 PolarHBondContact O-N 2.81Å; D454-T456 VanDerWaalsContact O-N 3.08Å; T456-V458 PolarHBondContact O-N 3.1Å
457	L	78.4	Confident	79.8	Confident	92 Å²	92	69 Å²	69	48%	0.482	38%	0.379	S	S	.	.			trans	-80.7	108.8	176.1	-175.3	69.3	0	0	0	110.2	Q448 N450	Q448-L457 HydrophobicContact CB-CD1 4.24Å; Q448-L457 HydrophobicContact CB-CD2 4.35Å; Q448-L457 HydrophobicContact CB-CG 4.41Å; N450-L457 HydrophobicContact CB-CD1 4.05Å
458	V	80.6	Confident	79.6	Confident	59 Å²	59	73.1 Å²	73.1	36%	0.358	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129	176	-174.7	0	0	0	0	109.1	Q448 Y449 T456	Q448-V458 CarbonylContact C-O 3.1Å; Q448-V458 WeakPolarHBondContact CA-O 3.48Å; Y449-V458 HydrophobicContact CD1-CB 4.2Å; Y449-V458 HydrophobicContact CD1-CG1 4.38Å; Y449-V458 HydrophobicContact CD2-CB 4.39Å; Y449-V458 HydrophobicContact CE1-CB 3.89Å; Y449-V458 HydrophobicContact CE1-CG1 3.61Å; Y449-V458 HydrophobicContact CE2-CB 4.1Å; Y449-V458 HydrophobicContact CE2-CG1 4.28Å; Y449-V458 HydrophobicContact CE2-CG2 4.48Å; Y449-V458 HydrophobicContact CG-CB 4.46Å; Y449-V458 PolarHBondContact N-O 2.96Å; Y449-V458 PolarHBondContact O-N 3.17Å; T456-V458 PolarHBondContact O-N 3.1Å
459	Y	84.8	Confident	79.5	Confident	99 Å²	99	73 Å²	73	39%	0.388	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.2	173.2	68.1	-88.3	0	0	0	112.2	I447 M461 S753	I447-Y459 CarbonylContact O-C 3.57Å; I447-Y459 WeakPolarHBondContact O-CA 3.29Å; Y459-M461 HydrophobicContact CD2-SD 4.23Å; Y459-S753 PolarHBondContact OH-O 3.29Å
460	R	83.4	Confident	79.5	Confident	80 Å²	80	76.1 Å²	76.1	30%	0.302	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.4	177.3	-65.4	-177.1	-175.9	-109.3	9.4	110	I447 Y449 I462	I447-R460 PolarHBondContact N-O 3.06Å; I447-R460 PolarHBondContact O-N 3.13Å; Y449-R460 HydrophobicContact CE1-CG 4.4Å; Y449-R460 PolarHBondContact OH-NE 2.72Å; Y449-R460 PolarHBondContact OH-NH2 2.79Å; R460-I462 HydrophobicContact CB-CD1 4.18Å
461	M	83.7	Confident	79.5	Confident	82 Å²	82	73.5 Å²	73.5	40%	0.404	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.8	-178	-59.9	-49.8	-66.1	0	0	110.1	M444 Q446 Y459 V487	M444-M461 HydrophobicContact CE-CB 3.87Å; M444-M461 HydrophobicContact CE-CE 3.55Å; M444-M461 HydrophobicContact CE-CG 4.36Å; M444-M461 HydrophobicContact CG-CE 3.96Å; M444-M461 HydrophobicContact SD-CE 3.74Å; Q446-M461 HydrophobicContact CB-CE 3.91Å; Q446-M461 HydrophobicContact CB-SD 3.81Å; Q446-M461 HydrophobicContact CG-CE 4.29Å; Q446-M461 HydrophobicContact CG-SD 3.59Å; Q446-M461 VanDerWaalsContact CG-SD 3.59Å; Y459-M461 HydrophobicContact CD2-SD 4.23Å; M461-V487 HydrophobicContact CE-CG2 4.29Å
462	I	84.7	Confident	79.6	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.051	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138	-169.1	-48.4	-55.7	0	0	0	110.1	W433 M444 Y445 I447 R460 S466 F469	W433-I462 HydrophobicContact CH2-CG2 4.27Å; W433-I462 HydrophobicContact CZ2-CG2 4.45Å; M444-I462 CarbonylContact C-O 3.59Å; M444-I462 WeakPolarHBondContact CA-O 3.32Å; M444-I462 WeakPolarHBondContact CB-O 3.13Å; Y445-I462 PolarHBondContact N-O 2.96Å; Y445-I462 PolarHBondContact O-N 3.24Å; I447-I462 HydrophobicContact CD1-CD1 4.37Å; I447-I462 HydrophobicContact CD1-CG1 3.82Å; I447-I462 HydrophobicContact CG1-CG1 3.96Å; R460-I462 HydrophobicContact CB-CD1 4.18Å; I462-S466 VanDerWaalsContact CG2-CB 3.48Å; I462-F469 HydrophobicContact CD1-CD1 4.34Å; I462-F469 HydrophobicContact CD1-CD2 3.45Å; I462-F469 VanDerWaalsContact CD1-CD2 3.45Å; I462-F469 HydrophobicContact CD1-CE1 4.39Å; I462-F469 HydrophobicContact CD1-CE2 3.5Å; I462-F469 HydrophobicContact CD1-CG 3.9Å; I462-F469 HydrophobicContact CD1-CZ 4Å; I462-F469 HydrophobicContact CG1-CD2 4.33Å; I462-F469 HydrophobicContact CG1-CG 4.49Å
463	P	83.4	Confident	79.7	Confident	77 Å²	77	79 Å²	79	50%	0.5	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	145.6	175.3	-26.7	35.8	0	0	0	113.6	T465 S466	P463-T465 PolarHBondContact O-N 3.09Å; P463-T465 VanDerWaalsContact O-N 3.13Å; P463-S466 WeakPolarHBondContact O-CB 3.2Å; P463-S466 PolarHBondContact O-N 3.2Å
464	S	78.6	Confident	80.4	Confident	49 Å²	49	76.3 Å²	76.3	34%	0.343	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.4	179.5	55.3	0	0	0	0	114.7	I442 R443	I442-S464 VanDerWaalsContact O-CB 3.29Å; I442-S464 WeakPolarHBondContact O-CB 3.22Å; I442-S464 PolarHBondContact O-OG 2.92Å; R443-S464 WeakPolarHBondContact O-CB 3.43Å; R443-S464 PolarHBondContact O-OG 3.26Å
465	T	78.1	Confident	80.8	Confident	120 Å²	120	75.1 Å²	75.1	74%	0.736	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.3	172.5	48.2	0	0	0	0	113.5	P463	P463-T465 PolarHBondContact O-N 3.09Å; P463-T465 VanDerWaalsContact O-N 3.13Å
466	S	80.8	Confident	82.1	Confident	33 Å²	33	68.7 Å²	68.7	23%	0.231	38%	0.375	C	S	.	.			trans	-75.3	142.8	-178.2	-59.6	0	0	0	0	112.3	W433 Y445 I462 P463	W433-S466 WeakPolarHBondContact CZ2-O 3.27Å; Y445-S466 WeakPolarHBondContact CE2-O 3.14Å; I462-S466 VanDerWaalsContact CG2-CB 3.48Å; P463-S466 WeakPolarHBondContact O-CB 3.2Å; P463-S466 PolarHBondContact O-N 3.2Å
467	K	77.2	Confident	82.9	Confident	119 Å²	119	65.4 Å²	65.4	52%	0.517	36%	0.36	S	S	.	.	S	Bend	trans	-119.6	-5.4	175.1	-55.7	-173.6	-177.1	-170.6	0	112.9	R432 W433	R432-K467 WeakPolarHBondContact CA-O 3.48Å; W433-K467 PolarHBondContact N-O 2.7Å
468	N	84.9	Confident	83.2	Confident	88 Å²	88	64.4 Å²	64.4	47%	0.471	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.2	-179.2	60.6	-28.8	0	0	0	109.9	I431 R432	I431-N468 CarbonylContact O-C 3.56Å; I431-N468 WeakPolarHBondContact O-CA 3.47Å; I431-N468 VanDerWaalsContact O-CB 3.25Å; I431-N468 WeakPolarHBondContact O-CB 3.35Å; R432-N468 HydrophobicContact CB-CB 4.48Å; R432-N468 HydrophobicContact CG-CB 4.01Å
469	F	88.1	Confident	83.6	Confident	50 Å²	50	65.7 Å²	65.7	22%	0.219	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.9	174	-173.5	-106	0	0	0	110.2	I431 W433 I447 I462 I471	I431-F469 PolarHBondContact N-O 2.8Å; I431-F469 PolarHBondContact O-N 2.65Å; W433-F469 HydrophobicContact CH2-CB 4Å; W433-F469 HydrophobicContact CZ3-CB 3.95Å; I447-F469 HydrophobicContact CD1-CB 3.61Å; I447-F469 HydrophobicContact CD1-CD1 3.8Å; I447-F469 HydrophobicContact CD1-CG 3.86Å; I462-F469 HydrophobicContact CD1-CD1 4.34Å; I462-F469 HydrophobicContact CD1-CD2 3.45Å; I462-F469 VanDerWaalsContact CD1-CD2 3.45Å; I462-F469 HydrophobicContact CD1-CE1 4.39Å; I462-F469 HydrophobicContact CD1-CE2 3.5Å; I462-F469 HydrophobicContact CD1-CG 3.9Å; I462-F469 HydrophobicContact CD1-CZ 4Å; I462-F469 HydrophobicContact CG1-CD2 4.33Å; I462-F469 HydrophobicContact CG1-CG 4.49Å; F469-I471 HydrophobicContact CD1-CG1 3.83Å; F469-I471 HydrophobicContact CE1-CG1 3.89Å
470	L	87.4	Confident	83.7	Confident	81 Å²	81	61.4 Å²	61.4	42%	0.424	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.6	172.8	170.8	64.9	0	0	0	108.4	V430 N472	V430-L470 HydrophobicContact CG2-CB 4.39Å; V430-L470 HydrophobicContact CG2-CD1 3.67Å; L470-N472 WeakPolarHBondContact CD1-OD1 3.31Å; L470-N472 WeakPolarHBondContact CD2-OD1 3.36Å; L470-N472 WeakPolarHBondContact CG-OD1 3.4Å
471	I	88	Confident	83.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.5	162.7	-57.9	-174.9	0	0	0	107.9	S428 A429 I431 Y449 F469 L474 L482	S428-I471 CarbonylContact C-O 3.6Å; S428-I471 WeakPolarHBondContact CA-O 3.47Å; S428-I471 VanDerWaalsContact CB-O 3.31Å; S428-I471 WeakPolarHBondContact CB-O 3.42Å; A429-I471 PolarHBondContact N-O 3.02Å; A429-I471 PolarHBondContact O-N 3.39Å; I431-I471 HydrophobicContact CD1-CD1 3.49Å; I431-I471 VanDerWaalsContact CD1-CD1 3.49Å; I431-I471 HydrophobicContact CD1-CG1 3.71Å; Y449-I471 HydrophobicContact CD1-CD1 3.76Å; Y449-I471 HydrophobicContact CD2-CD1 4.33Å; Y449-I471 HydrophobicContact CE1-CD1 3.67Å; Y449-I471 HydrophobicContact CE2-CD1 4.25Å; Y449-I471 HydrophobicContact CE2-CG2 4.16Å; Y449-I471 HydrophobicContact CG-CD1 4.1Å; F469-I471 HydrophobicContact CD1-CG1 3.83Å; F469-I471 HydrophobicContact CE1-CG1 3.89Å; I471-L474 HydrophobicContact CG2-CD1 4.33Å; I471-L474 HydrophobicContact CG2-CD2 3.71Å; I471-L474 HydrophobicContact CG2-CG 3.87Å; I471-L482 HydrophobicContact CD1-CD1 3.59Å
472	N	84.4	Confident	84.1	Confident	72 Å²	72	57 Å²	57	39%	0.385	32%	0.319	S	S	.	.			trans	-112.2	175.8	166.9	-63.6	-35.3	0	0	0	109.1	S427 L470 L474	S427-N472 CarbonylContact O-C 3.58Å; L470-N472 WeakPolarHBondContact CD1-OD1 3.31Å; L470-N472 WeakPolarHBondContact CD2-OD1 3.36Å; L470-N472 WeakPolarHBondContact CG-OD1 3.4Å; N472-L474 PolarHBondContact O-N 2.87Å
473	D	80.1	Confident	84.2	Confident	148 Å²	148	58.3 Å²	58.3	79%	0.791	33%	0.329	S	S	*	.			trans	62.5	30.1	174.2	-43.5	-59	0	0	0	113.4	S427	S427-D473 PolarHBondContact O-N 2.97Å
474	L	84.2	Confident	84.3	Confident	11 Å²	11	54.7 Å²	54.7	6%	0.058	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-72.8	152.4	166.4	-60.5	170.3	0	0	0	110.1	S427 A429 Y449 I471 N472 Y480 F506 T508	S427-L474 WeakPolarHBondContact CA-O 3.48Å; S427-L474 PolarHBondContact O-N 2.03Å; A429-L474 HydrophobicContact CB-CD1 3.8Å; Y449-L474 HydrophobicContact CE2-CD2 4.12Å; I471-L474 HydrophobicContact CG2-CD1 4.33Å; I471-L474 HydrophobicContact CG2-CD2 3.71Å; I471-L474 HydrophobicContact CG2-CG 3.87Å; N472-L474 PolarHBondContact O-N 2.87Å; L474-Y480 HydrophobicContact CB-CE2 4.15Å; L474-Y480 HydrophobicContact CD2-CD1 4.13Å; L474-Y480 HydrophobicContact CD2-CD2 4.31Å; L474-Y480 HydrophobicContact CD2-CE1 3.76Å; L474-Y480 HydrophobicContact CD2-CE2 3.95Å; L474-Y480 HydrophobicContact CD2-CG 4.4Å; L474-F506 HydrophobicContact CD1-CE2 3.94Å; L474-F506 HydrophobicContact CD1-CZ 4.26Å; L474-T508 HydrophobicContact CB-CG2 3.93Å; L474-T508 HydrophobicContact CD1-CG2 3.91Å
475	A	83.3	Confident	84.6	Confident	32 Å²	32	53.2 Å²	53.2	26%	0.264	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-85.2	139.8	171.9	0	0	0	0	0	110.8	S426 R478 Y480 T508	S426-A475 CarbonylContact O-C 3.49Å; A475-R478 HydrophobicContact CB-CG 4.04Å; A475-Y480 PolarHBondContact N-OH 2.92Å; A475-T508 WeakPolarHBondContact O-CB 3.36Å; A475-T508 PolarHBondContact O-OG1 3.34Å
476	A	84.3	Confident	84.9	Confident	43 Å²	43	47.5 Å²	47.5	36%	0.355	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	145.9	178.2	0	0	0	0	0	112.3	S426 R478 E511	S426-A476 WeakPolarHBondContact O-CA 3.36Å; S426-A476 PolarHBondContact O-N 3.07Å; A476-R478 VanDerWaalsContact C-N 3.34Å; A476-R478 PolarHBondContact O-N 3.05Å; A476-E511 HydrophobicContact CB-CB 3.73Å
477	G	82.1	Confident	84.9	Confident	28 Å²	28	46.6 Å²	46.6	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	35	176.9	0	0	0	0	0	114.4	T508 A509 N510	G477-T508 PolarHBondContact N-OG1 3.35Å; G477-T508 VanDerWaalsContact N-OG1 3.14Å; G477-A509 PolarHBondContact N-O 2.89Å; G477-N510 WeakPolarHBondContact CA-OD1 3.48Å
478	R	85.2	Confident	85	Confident	72 Å²	72	42.9 Å²	42.9	27%	0.272	24%	0.235	S	C	.	.			trans	-125.9	147.2	179.7	-68	-154.7	-171.6	175.5	-7.7	112.4	S451 D454 A475 A476 Y480 H507 T508	S451-R478 WeakPolarHBondContact OG-CD 3.28Å; D454-R478 IonicContact OD1-CZ 2.79Å; D454-R478 IonicContact OD1-NH1 2.62Å; D454-R478 PolarHBondContact OD1-NH1 2.82Å; D454-R478 IonicContact OD1-NH2 3.76Å; D454-R478 IonicContact OD2-NH1 2.62Å; D454-R478 PolarHBondContact OD2-NH1 3.41Å; A475-R478 HydrophobicContact CB-CG 4.04Å; A476-R478 VanDerWaalsContact C-N 3.34Å; A476-R478 PolarHBondContact O-N 3.05Å; R478-Y480 HydrophobicContact CB-CD2 4.36Å; R478-Y480 HydrophobicContact CB-CE2 3.79Å; R478-H507 CarbonylContact O-C 3.01Å; R478-H507 VanDerWaalsContact O-CA 3.31Å; R478-H507 WeakPolarHBondContact O-CA 3.42Å; R478-H507 PolarHBondContact O-CD2 3.46Å; R478-T508 PolarHBondContact N-OG1 3.45Å; R478-T508 PolarHBondContact O-N 2.82Å; R478-T508 PolarHBondContact O-OG1 2.82Å
479	E	88.5	Confident	84.5	Confident	86 Å²	86	41 Å²	41	40%	0.402	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.2	168.6	-173.8	163.3	-136	0	0	110.4	S451 T452 F506	S451-E479 WeakPolarHBondContact CA-O 3.35Å; S451-E479 PolarHBondContact OG-O 2.96Å; T452-E479 HydrophobicContact CG2-CB 3.96Å; T452-E479 HydrophobicContact CG2-CG 4.29Å; T452-E479 PolarHBondContact N-O 2.83Å; E479-F506 CarbonylContact C-O 3.56Å; E479-F506 WeakPolarHBondContact CA-O 3.33Å
480	Y	87	Confident	83.3	Confident	9 Å²	9	41.6 Å²	41.6	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.4	-177	-77.8	-83.3	0	0	0	110.4	Y449 N450 L474 A475 R478 Q505 F506 T508	Y449-Y480 HydrophobicContact CD2-CD1 4.21Å; Y449-Y480 HydrophobicContact CD2-CE1 4.42Å; N450-Y480 WeakPolarHBondContact O-CA 3.42Å; N450-Y480 WeakPolarHBondContact O-CD1 3.46Å; L474-Y480 HydrophobicContact CB-CE2 4.15Å; L474-Y480 HydrophobicContact CD2-CD1 4.13Å; L474-Y480 HydrophobicContact CD2-CD2 4.31Å; L474-Y480 HydrophobicContact CD2-CE1 3.76Å; L474-Y480 HydrophobicContact CD2-CE2 3.95Å; L474-Y480 HydrophobicContact CD2-CG 4.4Å; A475-Y480 PolarHBondContact N-OH 2.92Å; R478-Y480 HydrophobicContact CB-CD2 4.36Å; R478-Y480 HydrophobicContact CB-CE2 3.79Å; Y480-Q505 WeakPolarHBondContact O-CA 3.13Å; Y480-F506 HydrophobicContact CD2-CE2 4.03Å; Y480-F506 HydrophobicContact CD2-CZ 4.43Å; Y480-F506 HydrophobicContact CG-CE2 4.15Å; Y480-F506 HydrophobicContact CG-CZ 4.11Å; Y480-F506 PolarHBondContact N-O 2.97Å; Y480-F506 PolarHBondContact O-N 2.96Å; Y480-T508 HydrophobicContact CD2-CG2 4Å; Y480-T508 HydrophobicContact CE2-CG2 3.85Å
481	D	87.6	Confident	82	Confident	66 Å²	66	41.1 Å²	41.1	35%	0.353	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.5	168.1	-77.6	-19.3	0	0	0	108.8	Y449 N450 Q505	Y449-D481 WeakPolarHBondContact CA-O 3.39Å; Y449-D481 WeakPolarHBondContact CB-O 3.05Å; N450-D481 PolarHBondContact N-O 3.27Å; N450-D481 PolarHBondContact O-N 2.68Å; N450-D481 VanDerWaalsContact O-N 3.08Å; D481-Q505 VanDerWaalsContact OD1-CG 3.25Å; D481-Q505 WeakPolarHBondContact OD1-CG 3.45Å; D481-Q505 PolarHBondContact OD1-NE2 2.71Å
482	L	89.2	Confident	80.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.8	-176	-173.2	145.2	0	0	0	112.5	I431 I447 Q448 Y449 I471 V484 C503 V504 F506	I431-L482 HydrophobicContact CD1-CD1 3.34Å; I431-L482 HydrophobicContact CD1-CD2 4.06Å; I431-L482 HydrophobicContact CD1-CG 4.36Å; I431-L482 HydrophobicContact CG1-CD1 4.09Å; I431-L482 HydrophobicContact CG1-CD2 4.41Å; I431-L482 HydrophobicContact CG2-CD2 4.22Å; I447-L482 HydrophobicContact CG2-CD1 3.92Å; I447-L482 HydrophobicContact CG2-CD2 4.11Å; I447-L482 HydrophobicContact CG2-CG 4.02Å; Q448-L482 WeakPolarHBondContact O-CA 3.34Å; Y449-L482 HydrophobicContact CG-CD1 4.34Å; I471-L482 HydrophobicContact CD1-CD1 3.59Å; L482-V484 HydrophobicContact CD2-CG2 4.02Å; L482-C503 CarbonylContact O-C 3.54Å; L482-C503 WeakPolarHBondContact O-CA 3.47Å; L482-C503 VanDerWaalsContact O-CB 3.3Å; L482-C503 WeakPolarHBondContact O-CB 3.5Å; L482-V504 HydrophobicContact CB-CG1 4.33Å; L482-V504 HydrophobicContact CD2-CG1 4.02Å; L482-V504 PolarHBondContact N-O 3.25Å; L482-V504 PolarHBondContact O-N 3.39Å; L482-F506 HydrophobicContact CB-CE1 4.07Å; L482-F506 HydrophobicContact CD1-CE1 4.05Å
483	C	86.5	Confident	79.6	Confident	39 Å²	39	48.2 Å²	48.2	26%	0.264	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.5	174.1	-70.7	0	0	0	0	111.7	I447 Q448 L485 C503	I447-C483 WeakPolarHBondContact CA-O 3.1Å; Q448-C483 PolarHBondContact N-O 2.81Å; Q448-C483 PolarHBondContact O-N 2.91Å; C483-L485 HydrophobicContact CB-CD1 4.38Å; C483-C503 HydrophobicContact CB-CB 4.07Å; C483-C503 WeakPolarHBondContact CB-SG 3.46Å; C483-C503 WeakPolarHBondContact SG-CB 3.13Å; C483-C503 CovalentContact SG-SG 2.04Å; C483-C503 PolarHBondContact SG-SG 2.8Å
484	V	85.6	Confident	78.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.7	170.8	-174.9	0	0	0	0	108.6	V419 I431 W433 Y445 I447 L482 V501 G502	V419-V484 HydrophobicContact CG1-CG2 3.95Å; V419-V484 HydrophobicContact CG2-CB 4.13Å; V419-V484 HydrophobicContact CG2-CG2 3.96Å; I431-V484 HydrophobicContact CG2-CG2 4.39Å; W433-V484 HydrophobicContact CD2-CG1 4.17Å; W433-V484 HydrophobicContact CE3-CG1 4.45Å; W433-V484 HydrophobicContact CE3-CG2 4.37Å; W433-V484 HydrophobicContact CG-CG1 4.34Å; Y445-V484 HydrophobicContact CD1-CG1 4.29Å; I447-V484 HydrophobicContact CG1-CG2 4.33Å; L482-V484 HydrophobicContact CD2-CG2 4.02Å; V484-V501 HydrophobicContact CB-CB 4.41Å; V484-V501 HydrophobicContact CG1-CB 4.32Å; V484-V501 HydrophobicContact CG1-CG2 4.47Å; V484-V501 WeakPolarHBondContact O-CB 3.05Å; V484-V501 PolarHBondContact O-N 2.92Å; V484-G502 PolarHBondContact N-O 2.89Å; V484-G502 PolarHBondContact O-N 3.04Å
485	L	85.3	Confident	77.4	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.099	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.4	176.4	-54.8	92.2	0	0	0	110	Y445 Q446 Q448 C483 R499 V500	Y445-L485 CarbonylContact C-O 3.48Å; Y445-L485 VanDerWaalsContact CA-O 3.24Å; Y445-L485 WeakPolarHBondContact CA-O 3.49Å; Q446-L485 HydrophobicContact CB-CB 4.49Å; Q446-L485 PolarHBondContact N-O 2.86Å; Q446-L485 PolarHBondContact O-N 3.15Å; Q448-L485 HydrophobicContact CG-CD1 3.93Å; C483-L485 HydrophobicContact CB-CD1 4.38Å; L485-R499 CarbonylContact C-O 3.58Å; L485-R499 VanDerWaalsContact CA-O 3.29Å; L485-R499 WeakPolarHBondContact CA-O 3.26Å; L485-V500 HydrophobicContact CD2-CG2 4.04Å; L485-V500 HydrophobicContact CG-CG2 4.25Å
486	A	83.1	Confident	76.8	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.1	168.3	0	0	0	0	0	109	I439 I442 Y445 T498 R499 V501	I439-A486 HydrophobicContact CD1-CB 3.91Å; I442-A486 HydrophobicContact CG2-CB 4.36Å; Y445-A486 HydrophobicContact CD1-CB 4.01Å; Y445-A486 HydrophobicContact CE1-CB 3.95Å; A486-T498 WeakPolarHBondContact O-CA 3.3Å; A486-R499 PolarHBondContact N-O 3.44Å; A486-R499 PolarHBondContact O-N 3.03Å; A486-V501 HydrophobicContact CB-CG2 3.74Å
487	V	82.1	Confident	76.3	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.1	171.9	-168.4	0	0	0	0	107.8	R443 M444 Q446 M461 A497 T498	R443-V487 PolarHBondContact N-O 2.87Å; M444-V487 HydrophobicContact CG-CB 3.75Å; M444-V487 HydrophobicContact CG-CG1 4.42Å; M444-V487 HydrophobicContact CG-CG2 3.87Å; M444-V487 PolarHBondContact N-O 2.79Å; M444-V487 PolarHBondContact O-N 2.8Å; Q446-V487 HydrophobicContact CB-CG2 4.36Å; M461-V487 HydrophobicContact CE-CG2 4.29Å; V487-A497 WeakPolarHBondContact CA-O 3.39Å; V487-T498 HydrophobicContact CG1-CG2 4.39Å; V487-T498 HydrophobicContact CG2-CG2 4.2Å
488	Y	79.2	Confident	76.2	Confident	42 Å²	42	56 Å²	56	17%	0.165	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.7	-173.9	70.6	-77.8	0	0	0	111.7	I439 G441 D490 A497 R499	I439-Y488 HydrophobicContact CG2-CD1 4.2Å; I439-Y488 HydrophobicContact CG2-CD2 4.35Å; I439-Y488 HydrophobicContact CG2-CG 3.91Å; G441-Y488 VanDerWaalsContact O-CA 3.32Å; G441-Y488 WeakPolarHBondContact O-CA 3.36Å; Y488-D490 HydrophobicContact CE2-CB 4.48Å; Y488-A497 HydrophobicContact CD1-CB 4.23Å; Y488-A497 WeakPolarHBondContact CD1-O 3.41Å; Y488-A497 HydrophobicContact CE1-CB 3.63Å; Y488-A497 HydrophobicContact CE2-CB 4.03Å; Y488-A497 PolarHBondContact N-O 2.96Å; Y488-A497 PolarHBondContact O-N 2.97Å; Y488-R499 HydrophobicContact CD1-CB 4.38Å; Y488-R499 HydrophobicContact CE1-CB 3.84Å
489	D	72.9	Confident	75.9	Confident	49 Å²	49	59 Å²	59	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.5	169.7	-70.3	-35.2	0	0	0	109.9	G441 R443 G491	G441-D489 PolarHBondContact O-N 3.45Å; R443-D489 VanDerWaalsContact CZ-CG 3.49Å; R443-D489 IonicContact CZ-OD1 2.65Å; R443-D489 IonicContact CZ-OD2 2.99Å; R443-D489 IonicContact NE-OD1 2.72Å; R443-D489 PolarHBondContact NE-OD1 3.38Å; R443-D489 IonicContact NE-OD2 3.84Å; R443-D489 PolarHBondContact NE-OD2 2.97Å; R443-D489 IonicContact NH1-OD1 3.08Å; R443-D489 IonicContact NH2-OD1 2.64Å; R443-D489 PolarHBondContact NH2-OD1 2.65Å; R443-D489 IonicContact NH2-OD2 2.87Å; R443-D489 PolarHBondContact NH2-OD2 3.04Å; D489-G491 PolarHBondContact O-N 2.76Å; D489-G491 VanDerWaalsContact O-N 3.11Å
490	D	62.7	Low	75.6	Confident	61 Å²	61	58.9 Å²	58.9	33%	0.326	34%	0.342	S	S	.	.			trans	-69.5	-8.1	-177.3	-168.9	56	0	0	0	113.6	Y488 I492 L495 A497	Y488-D490 HydrophobicContact CE2-CB 4.48Å; D490-I492 PolarHBondContact O-N 2.98Å; D490-L495 PolarHBondContact N-O 3.41Å; D490-A497 HydrophobicContact CB-CB 4.27Å
491	G	61.3	Low	75.3	Confident	71 Å²	71	59.6 Å²	59.6	73%	0.732	35%	0.347	S	S	*	.	S	Bend	trans	71.1	-29.9	176.1	0	0	0	0	0	115.5	D489	D489-G491 PolarHBondContact O-N 2.76Å; D489-G491 VanDerWaalsContact O-N 3.11Å
492	I	60.5	Low	75	Confident	154 Å²	154	57.2 Å²	57.2	79%	0.79	34%	0.338	S	S	*	.	S	Bend	trans	-89.6	-40.5	-177.3	-60.7	168.4	0	0	0	111.1	D490	D490-I492 PolarHBondContact O-N 2.98Å
493	T	60.5	Low	74.8	Confident	67 Å²	67	60.2 Å²	60.2	41%	0.411	36%	0.359	S	S	.	.	S	Bend	trans	-108.2	-11.3	-172.8	57.1	0	0	0	0	114.2	L495	T493-L495 PolarHBondContact O-N 3.25Å; T493-L495 VanDerWaalsContact O-N 3.11Å; T493-L495 PolarHBondContact OG1-N 2.81Å
494	S	59.4	Low	74.7	Confident	106 Å²	106	59.9 Å²	59.9	74%	0.741	36%	0.355	S	S	*	.			trans	56.7	10	-167.7	70	0	0	0	0	115.9
495	L	60	Low	74.8	Confident	124 Å²	124	66.3 Å²	66.3	65%	0.649	39%	0.385	S	S	*	.	S	Bend	trans	-85.3	150.4	171.8	-64.6	171.1	0	0	0	110.4	D490 T493 A497	D490-L495 PolarHBondContact N-O 3.41Å; T493-L495 PolarHBondContact O-N 3.25Å; T493-L495 VanDerWaalsContact O-N 3.11Å; T493-L495 PolarHBondContact OG1-N 2.81Å; L495-A497 PolarHBondContact O-N 3.08Å
496	T	69.2	Low	74.8	Confident	84 Å²	84	66.3 Å²	66.3	52%	0.515	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	114.3	175.9	51	0	0	0	0	110.4
497	A	75.5	Confident	75	Confident	24 Å²	24	71.3 Å²	71.3	20%	0.198	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	154.4	174.8	0	0	0	0	0	111.1	V487 Y488 D490 L495	V487-A497 WeakPolarHBondContact CA-O 3.39Å; Y488-A497 HydrophobicContact CD1-CB 4.23Å; Y488-A497 WeakPolarHBondContact CD1-O 3.41Å; Y488-A497 HydrophobicContact CE1-CB 3.63Å; Y488-A497 HydrophobicContact CE2-CB 4.03Å; Y488-A497 PolarHBondContact N-O 2.96Å; Y488-A497 PolarHBondContact O-N 2.97Å; D490-A497 HydrophobicContact CB-CB 4.27Å; L495-A497 PolarHBondContact O-N 3.08Å
498	T	79.6	Confident	75.3	Confident	87 Å²	87	70.8 Å²	70.8	53%	0.534	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.1	177.1	58	0	0	0	0	110.8	A486 V487	A486-T498 WeakPolarHBondContact O-CA 3.3Å; V487-T498 HydrophobicContact CG1-CG2 4.39Å; V487-T498 HydrophobicContact CG2-CG2 4.2Å
499	R	79.1	Confident	75.3	Confident	135 Å²	135	71.2 Å²	71.2	51%	0.509	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128	179.1	-177.5	175.8	-171.7	147.1	4.4	110.1	L485 A486 Y488 V501	L485-R499 CarbonylContact C-O 3.58Å; L485-R499 VanDerWaalsContact CA-O 3.29Å; L485-R499 WeakPolarHBondContact CA-O 3.26Å; A486-R499 PolarHBondContact N-O 3.44Å; A486-R499 PolarHBondContact O-N 3.03Å; Y488-R499 HydrophobicContact CD1-CB 4.38Å; Y488-R499 HydrophobicContact CE1-CB 3.84Å; R499-V501 PolarHBondContact O-N 3.23Å
500	V	80.8	Confident	75.6	Confident	85 Å²	85	74.7 Å²	74.7	52%	0.515	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	121.5	175.1	-178.3	0	0	0	0	109.4	L485	L485-V500 HydrophobicContact CD2-CG2 4.04Å; L485-V500 HydrophobicContact CG-CG2 4.25Å
501	V	80.7	Confident	75.7	Confident	23 Å²	23	77.2 Å²	77.2	14%	0.139	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-33.7	173	-178.2	0	0	0	0	109.9	W433 Y445 V484 A486 R499	W433-V501 HydrophobicContact CB-CG1 4.33Å; Y445-V501 HydrophobicContact CD1-CG2 4.23Å; Y445-V501 HydrophobicContact CE1-CG2 4.11Å; V484-V501 HydrophobicContact CB-CB 4.41Å; V484-V501 HydrophobicContact CG1-CB 4.32Å; V484-V501 HydrophobicContact CG1-CG2 4.47Å; V484-V501 WeakPolarHBondContact O-CB 3.05Å; V484-V501 PolarHBondContact O-N 2.92Å; A486-V501 HydrophobicContact CB-CG2 3.74Å; R499-V501 PolarHBondContact O-N 3.23Å
502	G	81.8	Confident	75.4	Confident	16 Å²	16	80.4 Å²	80.4	17%	0.165	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	170.3	169.5	0	0	0	0	0	111.7	V484	V484-G502 PolarHBondContact N-O 2.89Å; V484-G502 PolarHBondContact O-N 3.04Å
503	C	84.3	Confident	74.9	Confident	66 Å²	66	77.1 Å²	77.1	45%	0.446	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.7	174.4	-51.8	0	0	0	0	110.4	L482 C483	L482-C503 CarbonylContact O-C 3.54Å; L482-C503 WeakPolarHBondContact O-CA 3.47Å; L482-C503 VanDerWaalsContact O-CB 3.3Å; L482-C503 WeakPolarHBondContact O-CB 3.5Å; C483-C503 HydrophobicContact CB-CB 4.07Å; C483-C503 WeakPolarHBondContact CB-SG 3.46Å; C483-C503 WeakPolarHBondContact SG-CB 3.13Å; C483-C503 CovalentContact SG-SG 2.04Å; C483-C503 PolarHBondContact SG-SG 2.8Å
504	V	85.6	Confident	74	Confident	31 Å²	31	81.3 Å²	81.3	19%	0.188	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	142.3	-178.3	62.3	0	0	0	0	109.3	V419 V421 L482	V419-V504 HydrophobicContact CB-CG1 4.31Å; V419-V504 HydrophobicContact CG1-CG1 3.86Å; V421-V504 HydrophobicContact CG2-CB 4.39Å; V421-V504 HydrophobicContact CG2-CG1 3.6Å; V421-V504 HydrophobicContact CG2-CG2 3.87Å; L482-V504 HydrophobicContact CB-CG1 4.33Å; L482-V504 HydrophobicContact CD2-CG1 4.02Å; L482-V504 PolarHBondContact N-O 3.25Å; L482-V504 PolarHBondContact O-N 3.39Å
505	Q	87.4	Confident	73.1	Confident	135 Å²	135	82.6 Å²	82.6	63%	0.631	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.9	176.1	-48.3	-175.8	-89.7	0	0	107.9	Y480 D481	Y480-Q505 WeakPolarHBondContact O-CA 3.13Å; D481-Q505 VanDerWaalsContact OD1-CG 3.25Å; D481-Q505 WeakPolarHBondContact OD1-CG 3.45Å; D481-Q505 PolarHBondContact OD1-NE2 2.71Å
506	F	86.1	Confident	72	Confident	19 Å²	19	86.8 Å²	86.8	8%	0.083	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	159.3	179.4	67	-89.9	0	0	0	112.3	V421 L424 A429 L474 E479 Y480 L482 T508	V421-F506 HydrophobicContact CG1-CG 4.47Å; V421-F506 HydrophobicContact CG2-CD1 3.88Å; V421-F506 HydrophobicContact CG2-CE1 4.44Å; V421-F506 HydrophobicContact CG2-CG 4.36Å; L424-F506 HydrophobicContact CD1-CD2 3.55Å; L424-F506 HydrophobicContact CD1-CE2 3.98Å; L424-F506 HydrophobicContact CD1-CG 4.25Å; L424-F506 HydrophobicContact CD2-CD2 4.35Å; A429-F506 HydrophobicContact CB-CE2 4.07Å; A429-F506 HydrophobicContact CB-CZ 4.21Å; L474-F506 HydrophobicContact CD1-CE2 3.94Å; L474-F506 HydrophobicContact CD1-CZ 4.26Å; E479-F506 CarbonylContact C-O 3.56Å; E479-F506 WeakPolarHBondContact CA-O 3.33Å; Y480-F506 HydrophobicContact CD2-CE2 4.03Å; Y480-F506 HydrophobicContact CD2-CZ 4.43Å; Y480-F506 HydrophobicContact CG-CE2 4.15Å; Y480-F506 HydrophobicContact CG-CZ 4.11Å; Y480-F506 PolarHBondContact N-O 2.97Å; Y480-F506 PolarHBondContact O-N 2.96Å; L482-F506 HydrophobicContact CB-CE1 4.07Å; L482-F506 HydrophobicContact CD1-CE1 4.05Å; F506-T508 HydrophobicContact CE2-CG2 4.35Å
507	H	87.3	Confident	70.2	Confident	105 Å²	105	92.1 Å²	92.1	49%	0.486	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.1	-176.2	-170.5	157.5	0	0	0	109.6	L424 R478	L424-H507 WeakPolarHBondContact CD2-O 3.38Å; R478-H507 CarbonylContact O-C 3.01Å; R478-H507 VanDerWaalsContact O-CA 3.31Å; R478-H507 WeakPolarHBondContact O-CA 3.42Å; R478-H507 PolarHBondContact O-CD2 3.46Å
508	T	86.6	Confident	68.1	Low	2 Å²	2	99.1 Å²	99.1	1%	0.012	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-64.7	150.2	179.2	52.6	0	0	0	0	112.4	L474 A475 G477 R478 Y480 F506	L474-T508 HydrophobicContact CB-CG2 3.93Å; L474-T508 HydrophobicContact CD1-CG2 3.91Å; A475-T508 WeakPolarHBondContact O-CB 3.36Å; A475-T508 PolarHBondContact O-OG1 3.34Å; G477-T508 PolarHBondContact N-OG1 3.35Å; G477-T508 VanDerWaalsContact N-OG1 3.14Å; R478-T508 PolarHBondContact N-OG1 3.45Å; R478-T508 PolarHBondContact O-N 2.82Å; R478-T508 PolarHBondContact O-OG1 2.82Å; Y480-T508 HydrophobicContact CD2-CG2 4Å; Y480-T508 HydrophobicContact CE2-CG2 3.85Å; F506-T508 HydrophobicContact CE2-CG2 4.35Å
509	A	80.6	Confident	66.1	Low	51 Å²	51	102.9 Å²	102.9	42%	0.421	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-64.8	142.4	179.8	0	0	0	0	0	111.9	T425 S426 G477 E511	T425-A509 PolarHBondContact O-N 2.95Å; S426-A509 WeakPolarHBondContact CA-O 3.29Å; S426-A509 VanDerWaalsContact CB-O 3.3Å; S426-A509 WeakPolarHBondContact CB-O 3.41Å; G477-A509 PolarHBondContact N-O 2.89Å; A509-E511 PolarHBondContact O-N 2.96Å
510	N	77.9	Confident	64.2	Low	122 Å²	122	100.9 Å²	100.9	65%	0.652	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-65.3	120	170.1	-78.6	-20.8	0	0	0	110	G477 V512	G477-N510 WeakPolarHBondContact CA-OD1 3.48Å; N510-V512 PolarHBondContact O-N 2.04Å; N510-V512 VanDerWaalsContact O-N 3.16Å
511	E	66.3	Low	62.6	Low	115 Å²	115	105 Å²	105	54%	0.537	55%	0.55	S	S	.	.			trans	-80.1	100.1	176.1	-170	162.1	154.6	0	0	110.5	S426 A476 A509 S513	S426-E511 PolarHBondContact OG-OE2 3.35Å; A476-E511 HydrophobicContact CB-CB 3.73Å; A509-E511 PolarHBondContact O-N 2.96Å; E511-S513 PolarHBondContact O-N 3.49Å; E511-S513 PolarHBondContact O-OG 3.32Å
512	V	54.3	Low	60.8	Low	138 Å²	138	111.3 Å²	111.3	84%	0.836	58%	0.575	S	S	*	*			trans	-72.8	72.3	172.4	-172	0	0	0	0	109.3	N510 Q514	N510-V512 PolarHBondContact O-N 2.04Å; N510-V512 VanDerWaalsContact O-N 3.16Å; V512-Q514 PolarHBondContact O-N 3.43Å
513	S	49	Very low	59.3	Low	85 Å²	85	116.2 Å²	116.2	59%	0.594	60%	0.597	S	S	*	*			trans	-68.2	97.6	175.3	41.2	0	0	0	0	109.6	E511 C515	E511-S513 PolarHBondContact O-N 3.49Å; E511-S513 PolarHBondContact O-OG 3.32Å; S513-C515 PolarHBondContact O-N 3.25Å
514	Q	43.4	Very low	57.6	Low	155 Å²	155	115 Å²	115	72%	0.724	60%	0.596	S	S	*	*			trans	-53.1	124.4	157.8	-77.5	-172.8	-19.8	0	0	107.8	V512 R516	V512-Q514 PolarHBondContact O-N 3.43Å; Q514-R516 PolarHBondContact O-N 2.95Å
515	C	40.1	Very low	56.2	Low	132 Å²	132	114.6 Å²	114.6	89%	0.892	60%	0.597	S	S	*	*			trans	-65	74.8	179.2	-69	0	0	0	0	112.2	S513 F517	S513-C515 PolarHBondContact O-N 3.25Å; C515-F517 PolarHBondContact O-N 2.85Å; C515-F517 VanDerWaalsContact O-N 3.15Å
516	R	35.8	Very low	54.8	Low	212 Å²	212	111.3 Å²	111.3	80%	0.8	59%	0.587	S	S	*	*			trans	-72.1	104.8	165	-74.3	-169.8	174.2	-165.5	-1.7	107.7	Q514 M518	Q514-R516 PolarHBondContact O-N 2.95Å; R516-M518 PolarHBondContact O-N 2.85Å
517	F	32.1	Very low	53.4	Low	197 Å²	197	115 Å²	115	86%	0.864	61%	0.605	S	S	*	*			trans	-49.2	112	174.8	-135.1	-92.6	0	0	0	109.6	C515 H519	C515-F517 PolarHBondContact O-N 2.85Å; C515-F517 VanDerWaalsContact O-N 3.15Å; F517-H519 PolarHBondContact O-N 2.83Å; F517-H519 VanDerWaalsContact O-N 3.12Å
518	M	31	Very low	52.6	Low	170 Å²	170	116 Å²	116	84%	0.837	61%	0.613	S	S	*	*			trans	-61.7	116.9	172.2	-84.3	-72.4	-79.5	0	0	107.9	R516 S520	R516-M518 PolarHBondContact O-N 2.85Å; M518-S520 PolarHBondContact O-N 3.37Å
519	H	37.1	Very low	52	Low	166 Å²	166	122 Å²	122	77%	0.769	64%	0.644	S	S	*	*			trans	-75.6	77.2	-178.3	-168	85.7	0	0	0	109.8	F517	F517-H519 PolarHBondContact O-N 2.83Å; F517-H519 VanDerWaalsContact O-N 3.12Å
520	S	39.7	Very low	51.7	Low	94 Å²	94	123.8 Å²	123.8	66%	0.657	65%	0.645	S	S	*	*			trans	-57.3	140.2	167.7	54.9	0	0	0	0	109.3	M518 F522	M518-S520 PolarHBondContact O-N 3.37Å; S520-F522 PolarHBondContact O-N 3.32Å
521	Q	48.1	Very low	51.8	Low	172 Å²	172	122.6 Å²	122.6	80%	0.804	64%	0.638	S	S	*	*			trans	-65.4	103.1	-164.6	-67.8	-178.1	-12.7	0	0	111.8	L523	Q521-L523 PolarHBondContact O-N 3.42Å
522	F	41.8	Very low	52.4	Low	154 Å²	154	118.6 Å²	118.6	68%	0.675	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	43	-174.7	-151	-93.7	0	0	0	113.5	S520	S520-F522 PolarHBondContact O-N 3.32Å
523	L	50.2	Low	53.9	Low	120 Å²	120	114 Å²	114	63%	0.628	61%	0.608	S	S	*	*	H	α-helix	trans	-90.6	-18.6	175.8	-90.4	151.3	0	0	0	113	Q521 T526 M527	Q521-L523 PolarHBondContact O-N 3.42Å; L523-T526 PolarHBondContact O-OG1 3.28Å; L523-M527 WeakPolarHBondContact O-CG 3.49Å
524	G	48.3	Very low	55.7	Low	40 Å²	40	114.8 Å²	114.8	41%	0.412	61%	0.605	S	S	.	*	H	α-helix	trans	-71.4	-41.1	175.5	0	0	0	0	0	113.7	T526 M527 I528	G524-T526 PolarHBondContact O-N 2.98Å; G524-M527 PolarHBondContact O-N 3.22Å; G524-I528 VanDerWaalsContact O-CG1 3.31Å; G524-I528 WeakPolarHBondContact O-CG1 3.24Å; G524-I528 PolarHBondContact O-N 3.45Å
525	G	56.2	Low	57.9	Low	22 Å²	22	112.1 Å²	112.1	23%	0.227	59%	0.594	C	S	.	*	H	α-helix	trans	-63.4	-43.4	-173.4	0	0	0	0	0	113.8	I528 I529	G525-I528 PolarHBondContact O-N 3.21Å; G525-I529 WeakPolarHBondContact O-CG1 3.4Å; G525-I529 PolarHBondContact O-N 3.04Å; G525-I529 VanDerWaalsContact O-N 3.09Å
526	T	59.4	Low	60.3	Low	67 Å²	67	110 Å²	110	41%	0.411	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-39.7	176.7	47.8	0	0	0	0	112	L523 G524 I529 I530	L523-T526 PolarHBondContact O-OG1 3.28Å; G524-T526 PolarHBondContact O-N 2.98Å; T526-I529 PolarHBondContact O-N 3.04Å; T526-I530 WeakPolarHBondContact O-CB 2.99Å; T526-I530 WeakPolarHBondContact O-CD1 3.29Å; T526-I530 VanDerWaalsContact O-CG1 3.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.44Å; T526-I530 PolarHBondContact O-N 3.1Å
527	M	57.1	Low	62.8	Low	96 Å²	96	102.4 Å²	102.4	47%	0.473	56%	0.559	S	S	.	*	H	α-helix	trans	-62	-43.8	174.4	-70.4	-63.8	106.1	0	0	112	L523 G524 I529 I530 I531	L523-M527 WeakPolarHBondContact O-CG 3.49Å; G524-M527 PolarHBondContact O-N 3.22Å; M527-I529 PolarHBondContact O-N 2.82Å; M527-I530 HydrophobicContact CE-CD1 3.97Å; M527-I530 PolarHBondContact O-N 2.66Å; M527-I531 WeakPolarHBondContact O-CB 3.42Å; M527-I531 WeakPolarHBondContact O-CD1 3.02Å; M527-I531 VanDerWaalsContact O-CG1 3.23Å; M527-I531 WeakPolarHBondContact O-CG1 3.47Å; M527-I531 PolarHBondContact O-N 3.15Å
528	I	69.5	Low	65.4	Low	126 Å²	126	96.3 Å²	96.3	65%	0.646	54%	0.541	S	S	*	.	H	α-helix	trans	-62.3	-43.2	177.2	-69	164.1	0	0	0	111.2	G524 G525 G532	G524-I528 VanDerWaalsContact O-CG1 3.31Å; G524-I528 WeakPolarHBondContact O-CG1 3.24Å; G524-I528 PolarHBondContact O-N 3.45Å; G525-I528 PolarHBondContact O-N 3.21Å; I528-G532 PolarHBondContact O-N 2.8Å
529	I	73.4	Confident	68.1	Low	128 Å²	128	91.9 Å²	91.9	66%	0.656	52%	0.523	S	S	*	.	H	α-helix	trans	-65.8	-41.5	177.4	-68.5	166.1	0	0	0	111.4	G525 T526 M527 G533	G525-I529 WeakPolarHBondContact O-CG1 3.4Å; G525-I529 PolarHBondContact O-N 3.04Å; G525-I529 VanDerWaalsContact O-N 3.09Å; T526-I529 PolarHBondContact O-N 3.04Å; M527-I529 PolarHBondContact O-N 2.82Å; I529-G533 PolarHBondContact O-N 3.16Å
530	I	74.5	Confident	70.5	Confident	89 Å²	89	88.4 Å²	88.4	46%	0.456	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-47.2	178.8	-71.5	165	0	0	0	111	T526 M527 G533 I534	T526-I530 WeakPolarHBondContact O-CB 2.99Å; T526-I530 WeakPolarHBondContact O-CD1 3.29Å; T526-I530 VanDerWaalsContact O-CG1 3.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.44Å; T526-I530 PolarHBondContact O-N 3.1Å; M527-I530 HydrophobicContact CE-CD1 3.97Å; M527-I530 PolarHBondContact O-N 2.66Å; I530-G533 PolarHBondContact O-N 2.73Å; I530-I534 HydrophobicContact CG2-CD1 3.82Å; I530-I534 VanDerWaalsContact O-CG1 3.28Å; I530-I534 WeakPolarHBondContact O-CG1 3.24Å; I530-I534 PolarHBondContact O-N 3.21Å
531	I	80	Confident	72.9	Confident	97 Å²	97	88 Å²	88	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-45.2	178.1	-67.9	165	0	0	0	110.4	M527 G533 I534 I535	M527-I531 WeakPolarHBondContact O-CB 3.42Å; M527-I531 WeakPolarHBondContact O-CD1 3.02Å; M527-I531 VanDerWaalsContact O-CG1 3.23Å; M527-I531 WeakPolarHBondContact O-CG1 3.47Å; M527-I531 PolarHBondContact O-N 3.15Å; I531-G533 PolarHBondContact O-N 3.49Å; I531-I534 PolarHBondContact O-N 2.89Å; I531-I535 HydrophobicContact CG2-CD1 3.86Å; I531-I535 VanDerWaalsContact O-CG1 3.31Å; I531-I535 WeakPolarHBondContact O-CG1 3.33Å; I531-I535 PolarHBondContact O-N 3.37Å
532	G	79.2	Confident	74.8	Confident	31 Å²	31	85.9 Å²	85.9	32%	0.32	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-43.5	174.6	0	0	0	0	0	112.7	I528 I535 V536	I528-G532 PolarHBondContact O-N 2.8Å; G532-I535 PolarHBondContact O-N 2.67Å; G532-V536 WeakPolarHBondContact O-CG2 3.25Å; G532-V536 PolarHBondContact O-N 3.16Å
533	G	85.5	Confident	77	Confident	41 Å²	41	82.3 Å²	82.3	42%	0.423	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-43.1	175.3	0	0	0	0	0	113.2	I529 I530 I531 V536 A537	I529-G533 PolarHBondContact O-N 3.16Å; I530-G533 PolarHBondContact O-N 2.73Å; I531-G533 PolarHBondContact O-N 3.49Å; G533-V536 PolarHBondContact O-N 3.28Å; G533-A537 VanDerWaalsContact O-CB 3.29Å; G533-A537 WeakPolarHBondContact O-CB 3.49Å; G533-A537 PolarHBondContact O-N 3Å
534	I	88.4	Confident	78.7	Confident	102 Å²	102	81 Å²	81	52%	0.523	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-42.9	175.9	-69.9	164.7	0	0	0	110.8	I530 I531 S538	I530-I534 HydrophobicContact CG2-CD1 3.82Å; I530-I534 VanDerWaalsContact O-CG1 3.28Å; I530-I534 WeakPolarHBondContact O-CG1 3.24Å; I530-I534 PolarHBondContact O-N 3.21Å; I531-I534 PolarHBondContact O-N 2.89Å; I534-S538 VanDerWaalsContact O-CB 3.32Å; I534-S538 WeakPolarHBondContact O-CB 3.33Å; I534-S538 PolarHBondContact O-N 3.35Å; I534-S538 PolarHBondContact O-OG 3.24Å
535	I	88.5	Confident	80.4	Confident	99 Å²	99	83.1 Å²	83.1	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-63.2	-49.2	177.9	-69	165.2	0	0	0	110.5	I531 G532 A537 S538 V539	I531-I535 HydrophobicContact CG2-CD1 3.86Å; I531-I535 VanDerWaalsContact O-CG1 3.31Å; I531-I535 WeakPolarHBondContact O-CG1 3.33Å; I531-I535 PolarHBondContact O-N 3.37Å; G532-I535 PolarHBondContact O-N 2.67Å; I535-A537 PolarHBondContact O-N 2.85Å; I535-S538 PolarHBondContact O-N 3.2Å; I535-V539 WeakPolarHBondContact O-CG2 3.45Å; I535-V539 PolarHBondContact O-N 2.77Å
536	V	90.6	Very high	81.5	Confident	88 Å²	88	86.4 Å²	86.4	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-61.9	-43.1	179.1	171.2	0	0	0	0	111.6	G532 G533 V539 L540	G532-V536 WeakPolarHBondContact O-CG2 3.25Å; G532-V536 PolarHBondContact O-N 3.16Å; G533-V536 PolarHBondContact O-N 3.28Å; V536-V539 PolarHBondContact O-N 2.95Å; V536-L540 HydrophobicContact CG1-CD1 4.08Å; V536-L540 WeakPolarHBondContact O-CB 3.25Å; V536-L540 PolarHBondContact O-N 3.18Å
537	A	87.8	Confident	82.3	Confident	51 Å²	51	89.4 Å²	89.4	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.4	0	0	0	0	0	112.2	G533 I535 L540 V541	G533-A537 VanDerWaalsContact O-CB 3.29Å; G533-A537 WeakPolarHBondContact O-CB 3.49Å; G533-A537 PolarHBondContact O-N 3Å; I535-A537 PolarHBondContact O-N 2.85Å; A537-L540 PolarHBondContact O-N 3.41Å; A537-V541 WeakPolarHBondContact O-CG2 3.49Å; A537-V541 PolarHBondContact O-N 3.18Å
538	S	86.9	Confident	83.3	Confident	70 Å²	70	90 Å²	90	49%	0.49	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-43.4	177.4	-57.9	0	0	0	0	112	I534 I535 V541 F542	I534-S538 VanDerWaalsContact O-CB 3.32Å; I534-S538 WeakPolarHBondContact O-CB 3.33Å; I534-S538 PolarHBondContact O-N 3.35Å; I534-S538 PolarHBondContact O-OG 3.24Å; I535-S538 PolarHBondContact O-N 3.2Å; S538-V541 PolarHBondContact O-N 3.29Å; S538-F542 WeakPolarHBondContact O-CB 3.16Å; S538-F542 PolarHBondContact O-N 2.82Å
539	V	88.6	Confident	83.4	Confident	76 Å²	76	92.6 Å²	92.6	46%	0.461	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-42.5	176.3	171.4	0	0	0	0	111.2	I535 V536 F542 I543	I535-V539 WeakPolarHBondContact O-CG2 3.45Å; I535-V539 PolarHBondContact O-N 2.77Å; V536-V539 PolarHBondContact O-N 2.95Å; V539-F542 PolarHBondContact O-N 3.02Å; V539-I543 HydrophobicContact CG1-CD1 3.76Å; V539-I543 HydrophobicContact CG1-CG1 4.42Å; V539-I543 WeakPolarHBondContact O-CB 3.37Å; V539-I543 VanDerWaalsContact O-CG1 3.28Å; V539-I543 WeakPolarHBondContact O-CG1 3.44Å; V539-I543 PolarHBondContact O-N 2.81Å
540	L	87.3	Confident	83.2	Confident	94 Å²	94	95.7 Å²	95.7	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-44.8	175.1	-84.1	166.2	0	0	0	112.3	V536 A537 F542 I543 I544	V536-L540 HydrophobicContact CG1-CD1 4.08Å; V536-L540 WeakPolarHBondContact O-CB 3.25Å; V536-L540 PolarHBondContact O-N 3.18Å; A537-L540 PolarHBondContact O-N 3.41Å; L540-F542 VanDerWaalsContact C-N 3.34Å; L540-F542 PolarHBondContact O-N 3.26Å; L540-I543 PolarHBondContact O-N 2.91Å; L540-I544 WeakPolarHBondContact O-CB 3.32Å; L540-I544 VanDerWaalsContact O-CG1 3.26Å; L540-I544 WeakPolarHBondContact O-CG1 3.31Å; L540-I544 PolarHBondContact O-N 3.21Å
541	V	90.7	Very high	82.5	Confident	84 Å²	84	100 Å²	100	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-41.6	175.6	169.7	0	0	0	0	111	A537 S538 I544 I545	A537-V541 WeakPolarHBondContact O-CG2 3.49Å; A537-V541 PolarHBondContact O-N 3.18Å; S538-V541 PolarHBondContact O-N 3.29Å; V541-I544 PolarHBondContact O-N 3.06Å; V541-I545 HydrophobicContact CG1-CD1 3.78Å; V541-I545 HydrophobicContact CG1-CG1 4.45Å; V541-I545 VanDerWaalsContact O-CG1 3.28Å; V541-I545 WeakPolarHBondContact O-CG1 3.45Å; V541-I545 PolarHBondContact O-N 3.48Å
542	F	88.1	Confident	81.4	Confident	128 Å²	128	99.1 Å²	99.1	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-43.7	176.2	-174.3	-107.4	0	0	0	112.5	S538 V539 L540 I544 I545 L546	S538-F542 WeakPolarHBondContact O-CB 3.16Å; S538-F542 PolarHBondContact O-N 2.82Å; V539-F542 PolarHBondContact O-N 3.02Å; L540-F542 VanDerWaalsContact C-N 3.34Å; L540-F542 PolarHBondContact O-N 3.26Å; F542-I544 PolarHBondContact O-N 3.32Å; F542-I545 PolarHBondContact O-N 3.2Å; F542-L546 HydrophobicContact CD1-CD1 3.89Å; F542-L546 HydrophobicContact CD1-CG 4.5Å; F542-L546 HydrophobicContact CE1-CD1 3.5Å; F542-L546 VanDerWaalsContact CE1-CD1 3.5Å; F542-L546 HydrophobicContact CE1-CG 4.23Å; F542-L546 HydrophobicContact CZ-CD1 4.01Å; F542-L546 HydrophobicContact CZ-CG 4.37Å; F542-L546 WeakPolarHBondContact O-CG 3.27Å; F542-L546 PolarHBondContact O-N 3.5Å
543	I	87.9	Confident	80.1	Confident	80 Å²	80	108 Å²	108	41%	0.41	55%	0.553	S	S	.	*	H	α-helix	trans	-61.6	-43	174	-69.7	166.2	0	0	0	110.8	V539 L540 L546 M547	V539-I543 HydrophobicContact CG1-CD1 3.76Å; V539-I543 HydrophobicContact CG1-CG1 4.42Å; V539-I543 WeakPolarHBondContact O-CB 3.37Å; V539-I543 VanDerWaalsContact O-CG1 3.28Å; V539-I543 WeakPolarHBondContact O-CG1 3.44Å; V539-I543 PolarHBondContact O-N 2.81Å; L540-I543 PolarHBondContact O-N 2.91Å; I543-L546 PolarHBondContact O-N 2.8Å; I543-M547 HydrophobicContact CG2-CG 4.43Å; I543-M547 WeakPolarHBondContact O-CG 3.29Å; I543-M547 PolarHBondContact O-N 3.39Å
544	I	84.5	Confident	78.6	Confident	91 Å²	91	108.4 Å²	108.4	47%	0.467	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-41.9	177.1	-70.9	164.8	0	0	0	111	L540 V541 F542 L546 M547 I548	L540-I544 WeakPolarHBondContact O-CB 3.32Å; L540-I544 VanDerWaalsContact O-CG1 3.26Å; L540-I544 WeakPolarHBondContact O-CG1 3.31Å; L540-I544 PolarHBondContact O-N 3.21Å; V541-I544 PolarHBondContact O-N 3.06Å; F542-I544 PolarHBondContact O-N 3.32Å; I544-L546 PolarHBondContact O-N 3.32Å; I544-M547 PolarHBondContact O-N 2.85Å; I544-I548 HydrophobicContact CG2-CD1 3.72Å; I544-I548 HydrophobicContact CG2-CG1 4.39Å; I544-I548 WeakPolarHBondContact O-CB 3.39Å; I544-I548 VanDerWaalsContact O-CG1 3.24Å; I544-I548 WeakPolarHBondContact O-CG1 3.4Å; I544-I548 PolarHBondContact O-N 2.81Å
545	I	84.1	Confident	76.2	Confident	85 Å²	85	108.4 Å²	108.4	44%	0.436	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-41.6	174.8	-70.5	165.9	0	0	0	111.1	V541 F542 I548 R549	V541-I545 HydrophobicContact CG1-CD1 3.78Å; V541-I545 HydrophobicContact CG1-CG1 4.45Å; V541-I545 VanDerWaalsContact O-CG1 3.28Å; V541-I545 WeakPolarHBondContact O-CG1 3.45Å; V541-I545 PolarHBondContact O-N 3.48Å; F542-I545 PolarHBondContact O-N 3.2Å; I545-I548 PolarHBondContact O-N 3.44Å; I545-R549 PolarHBondContact O-N 2.87Å
546	L	78.9	Confident	74.4	Confident	91 Å²	91	109.6 Å²	109.6	48%	0.476	58%	0.581	S	S	.	*	H	α-helix	trans	-64.1	-44.4	174.1	-75.6	176.8	0	0	0	111.8	F542 I543 I544 I548 R549 Y550	F542-L546 HydrophobicContact CD1-CD1 3.89Å; F542-L546 HydrophobicContact CD1-CG 4.5Å; F542-L546 HydrophobicContact CE1-CD1 3.5Å; F542-L546 VanDerWaalsContact CE1-CD1 3.5Å; F542-L546 HydrophobicContact CE1-CG 4.23Å; F542-L546 HydrophobicContact CZ-CD1 4.01Å; F542-L546 HydrophobicContact CZ-CG 4.37Å; F542-L546 WeakPolarHBondContact O-CG 3.27Å; F542-L546 PolarHBondContact O-N 3.5Å; I543-L546 PolarHBondContact O-N 2.8Å; I544-L546 PolarHBondContact O-N 3.32Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.3Å; L546-R549 PolarHBondContact O-N 2.82Å; L546-Y550 VanDerWaalsContact O-CB 3.22Å; L546-Y550 WeakPolarHBondContact O-CB 3.35Å; L546-Y550 PolarHBondContact O-N 3.41Å
547	M	76.4	Confident	71.7	Confident	131 Å²	131	112.4 Å²	112.4	65%	0.645	60%	0.598	S	S	*	*	H	α-helix	trans	-64.6	-36.8	175.7	-72.4	-163.5	78.7	0	0	112.4	I543 I544 K551	I543-M547 HydrophobicContact CG2-CG 4.43Å; I543-M547 WeakPolarHBondContact O-CG 3.29Å; I543-M547 PolarHBondContact O-N 3.39Å; I544-M547 PolarHBondContact O-N 2.85Å; M547-K551 WeakPolarHBondContact O-CB 3.49Å; M547-K551 PolarHBondContact O-N 2.84Å
548	I	79.1	Confident	69.3	Low	108 Å²	108	116.7 Å²	116.7	55%	0.554	61%	0.614	S	S	*	*	H	α-helix	trans	-66.5	-45.1	174.2	-71.5	167.3	0	0	0	110.4	I544 I545 L546 K551 A552	I544-I548 HydrophobicContact CG2-CD1 3.72Å; I544-I548 HydrophobicContact CG2-CG1 4.39Å; I544-I548 WeakPolarHBondContact O-CB 3.39Å; I544-I548 VanDerWaalsContact O-CG1 3.24Å; I544-I548 WeakPolarHBondContact O-CG1 3.4Å; I544-I548 PolarHBondContact O-N 2.81Å; I545-I548 PolarHBondContact O-N 3.44Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.3Å; I548-K551 PolarHBondContact O-N 3.33Å; I548-A552 VanDerWaalsContact O-CB 3.23Å; I548-A552 WeakPolarHBondContact O-CB 3.45Å; I548-A552 PolarHBondContact O-N 3.34Å
549	R	72	Confident	67	Low	181 Å²	181	118 Å²	118	68%	0.683	62%	0.619	S	S	*	*	H	α-helix	trans	-64.8	-41.2	175.3	-76.8	-167.6	173.3	-145.4	-0.7	112.4	I545 L546 A552 Y553	I545-R549 PolarHBondContact O-N 2.87Å; L546-R549 PolarHBondContact O-N 2.82Å; R549-A552 PolarHBondContact O-N 3.49Å; R549-Y553 PolarHBondContact O-N 3.41Å
550	Y	68.9	Low	64.3	Low	193 Å²	193	123.5 Å²	123.5	76%	0.757	64%	0.637	S	S	*	*	H	α-helix	trans	-62.9	-41.1	175.4	-171	-99.1	0	0	0	111.5	L546 G554	L546-Y550 VanDerWaalsContact O-CB 3.22Å; L546-Y550 WeakPolarHBondContact O-CB 3.35Å; L546-Y550 PolarHBondContact O-N 3.41Å; Y550-G554 WeakPolarHBondContact O-CA 3.32Å; Y550-G554 PolarHBondContact O-N 3.19Å
551	K	59.1	Low	61.9	Low	180 Å²	180	123.7 Å²	123.7	78%	0.783	65%	0.652	S	S	*	*	H	α-helix	trans	-76.2	-23	176.7	-165.7	170.2	-176.8	177.3	0	113.6	M547 I548	M547-K551 WeakPolarHBondContact O-CB 3.49Å; M547-K551 PolarHBondContact O-N 2.84Å; I548-K551 PolarHBondContact O-N 3.33Å
552	A	57.3	Low	59	Low	77 Å²	77	129.9 Å²	129.9	64%	0.636	67%	0.672	S	S	*	*	H	α-helix	trans	-79.8	-32.1	172.8	0	0	0	0	0	112.9	I548 R549	I548-A552 VanDerWaalsContact O-CB 3.23Å; I548-A552 WeakPolarHBondContact O-CB 3.45Å; I548-A552 PolarHBondContact O-N 3.34Å; R549-A552 PolarHBondContact O-N 3.49Å
553	Y	52.2	Low	56.6	Low	218 Å²	218	130 Å²	130	86%	0.855	68%	0.683	S	S	*	*	H	α-helix	trans	-84.1	-23.5	169.6	-93	-94.8	0	0	0	113.2	R549 S555	R549-Y553 PolarHBondContact O-N 3.41Å; Y553-S555 PolarHBondContact O-N 2.97Å
554	G	52.9	Low	53.6	Low	50 Å²	50	131.6 Å²	131.6	52%	0.515	70%	0.701	S	S	.	*			trans	-78.4	53.4	-179.4	0	0	0	0	0	114.7	Y550	Y550-G554 WeakPolarHBondContact O-CA 3.32Å; Y550-G554 PolarHBondContact O-N 3.19Å
555	S	38.7	Very low	51.4	Low	102 Å²	102	137.4 Å²	137.4	71%	0.713	72%	0.723	S	S	*	*			trans	-93.2	115.1	167	-168.8	0	0	0	0	109.8	Y553	Y553-S555 PolarHBondContact O-N 2.97Å
556	P	50	Low	48.8	Very low	123 Å²	123	138.2 Å²	138.2	80%	0.799	74%	0.743	S	S	*	*			trans	-85.9	127.3	-175.9	32.3	-32.9	0	0	0	112.4
557	V	35.5	Very low	46.7	Very low	148 Å²	148	142.2 Å²	142.2	90%	0.897	76%	0.761	S	S	*	*			trans	-130.4	146.5	159.7	-179.9	0	0	0	0	107.7
558	D	36.6	Very low	44.5	Very low	140 Å²	140	144.8 Å²	144.8	75%	0.749	77%	0.771	S	S	*	*			trans	-107.2	163.1	-143.9	-144	-24.6	0	0	0	115.9
559	T	38.3	Very low	42.4	Very low	98 Å²	98	145.4 Å²	145.4	60%	0.601	79%	0.785	S	S	*	*			trans	68.3	112.5	156.2	53.5	0	0	0	0	123.2
560	K	32.1	Very low	40.5	Very low	192 Å²	192	144.8 Å²	144.8	84%	0.835	79%	0.79	S	S	*	*				63.7	91.9	119.3	-61.7	170.6	-176.6	170.1	0	121
561	A	37	Very low	38.8	Very low	97 Å²	97	141.5 Å²	141.5	80%	0.802	79%	0.79	S	S	*	*				51.7	120.6	116.2	0	0	0	0	0	122.1
562	K	29.6	Very low	37.5	Very low	214 Å²	214	140.1 Å²	140.1	93%	0.93	79%	0.791	S	S	*	*				-154.5	154.3	117.3	-122.5	176.7	-176.4	179	0	115
563	V	36.8	Very low	36.2	Very low	131 Å²	131	141.4 Å²	141.4	79%	0.794	80%	0.796	S	S	*	*			trans	-64.4	140.6	-175.5	171.5	0	0	0	0	114.4
564	S	26.3	Very low	35.1	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	79%	0.791	S	S	*	*			trans	-162.3	138.2	137.1	45.9	0	0	0	0	112.3
565	F	38.3	Very low	34.1	Very low	212 Å²	212	141.4 Å²	141.4	93%	0.93	80%	0.802	S	S	*	*			trans	-79.8	129.4	166.2	-96.9	-105.6	0	0	0	109.9
566	A	29.5	Very low	33.7	Very low	103 Å²	103	144 Å²	144	85%	0.851	80%	0.803	S	S	*	*			trans	-167	156.1	152.2	0	0	0	0	0	110.3
567	M	33.8	Very low	32.6	Very low	175 Å²	175	147.6 Å²	147.6	86%	0.862	80%	0.801	S	S	*	*			trans	-90.9	150	168.9	-74.4	-172	171.7	0	0	111.7
568	H	29.5	Very low	32.3	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.856	79%	0.787	S	S	*	*			trans	75.3	141.1	148.2	-92.3	51.4	0	0	0	122
569	S	35	Very low	32	Very low	120 Å²	120	146.7 Å²	146.7	84%	0.839	79%	0.785	S	S	*	*			trans	85	165.8	149.9	-144	0	0	0	0	120.6
570	Q	33	Very low	31.6	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	79%	0.789	S	S	*	*			trans	-106.1	144.1	-159.3	-55.8	168	-10.6	0	0	112.3
571	T	32.5	Very low	31.5	Very low	125 Å²	125	143.9 Å²	143.9	77%	0.767	78%	0.777	S	S	*	*				164.6	140	108.8	39.4	0	0	0	0	114.7
572	N	32.6	Very low	31.2	Very low	150 Å²	150	146.1 Å²	146.1	80%	0.802	78%	0.78	S	S	*	*			trans	41.8	115.1	148.4	-72.8	-3	0	0	0	124.4
573	S	29.5	Very low	31.2	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	77%	0.769	S	S	*	*				102.2	115.3	111	74.1	0	0	0	0	123.4
574	S	30.7	Very low	30.8	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	77%	0.767	S	S	*	*				107	134.1	122	81.3	0	0	0	0	123.4
575	Q	31	Very low	31	Very low	159 Å²	159	144.2 Å²	144.2	74%	0.743	76%	0.762	S	S	*	*			trans	77.5	121	150	-68.6	-165.4	21.4	0	0	125.3
576	Q	29.8	Very low	31.4	Very low	156 Å²	156	138.6 Å²	138.6	73%	0.729	75%	0.747	S	S	*	*			trans	68.4	153.6	134.1	-65.9	-166.7	41.5	0	0	121.6
577	R	27.2	Very low	31.3	Very low	200 Å²	200	137.9 Å²	137.9	76%	0.755	74%	0.736	S	S	*	*			cis	-173	169.2	-24.5	-168.4	-173.3	177.7	-169	-0.3	109.4
578	L	28.6	Very low	31.2	Very low	118 Å²	118	137 Å²	137	62%	0.618	73%	0.734	S	S	*	*			trans	88	112.7	161.5	-52.1	170.6	0	0	0	115.9
579	Q	31	Very low	31.2	Very low	150 Å²	150	137.7 Å²	137.7	70%	0.701	74%	0.738	S	S	*	*				91.2	151.2	83.7	-84.6	178.9	-20.8	0	0	113.4
580	H	29.8	Very low	30.7	Very low	149 Å²	149	135.3 Å²	135.3	69%	0.69	73%	0.733	S	S	*	*			cis	-160.4	172.7	4.6	-111.8	-76.1	0	0	0	107
581	S	30.8	Very low	30.4	Very low	82 Å²	82	136.4 Å²	136.4	57%	0.573	74%	0.738	S	S	*	*			cis	-179.3	169.6	-40.7	58.4	0	0	0	0	111.3
582	V	29.5	Very low	30	Very low	144 Å²	144	136.7 Å²	136.7	87%	0.873	74%	0.739	S	S	*	*			trans	75.9	147.8	167.7	179.2	0	0	0	0	115.6
583	S	29.2	Very low	29.7	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	74%	0.744	S	S	*	*			cis	-133.8	-169.6	-3.7	64.8	0	0	0	0	110.3
584	K	28.6	Very low	29.7	Very low	170 Å²	170	137.2 Å²	137.2	74%	0.739	75%	0.746	S	S	*	*			cis	81.4	142	4.6	-67.8	-161	159.7	-148.9	0	119.1
585	Q	31.9	Very low	30.2	Very low	149 Å²	149	137.9 Å²	137.9	70%	0.696	75%	0.747	S	S	*	*			cis	-153.4	-165.8	-10	-125.1	-170.1	-92.8	0	0	111.4
586	P	46.1	Very low	30.1	Very low	95 Å²	95	140.3 Å²	140.3	62%	0.617	76%	0.755	S	S	*	*			trans	-135.2	-155.3	-140.8	45.8	-23.2	0	0	0	117.2
587	S	28.2	Very low	30	Very low	88 Å²	88	142.3 Å²	142.3	62%	0.615	77%	0.765	S	S	*	*			trans	69.4	148.6	153	53.3	0	0	0	0	120.3
588	D	30.4	Very low	29.8	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	77%	0.769	S	S	*	*			cis	-154.1	-152.6	-21.3	-91.7	-33	0	0	0	106.8
589	E	29.6	Very low	29.7	Very low	199 Å²	199	142.3 Å²	142.3	93%	0.93	79%	0.785	S	S	*	*			cis	-144.9	-166.7	17	-57.1	179.9	127.2	0	0	108.9
590	G	25.1	Very low	29.3	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	79%	0.79	S	S	*	*			cis	-169.1	-144.5	12	0	0	0	0	0	112.6
591	E	26	Very low	29	Very low	191 Å²	191	140.8 Å²	140.8	89%	0.893	80%	0.799	S	S	*	*			trans	-123.5	167.1	-159.6	-54.1	-174.1	103.3	0	0	118.3
592	V	25.6	Very low	28.7	Very low	130 Å²	130	143 Å²	143	79%	0.788	81%	0.809	S	S	*	*				-179.4	130.4	116	147.6	0	0	0	0	115
593	L	25.1	Very low	28.4	Very low	174 Å²	174	143.4 Å²	143.4	91%	0.911	81%	0.806	S	S	*	*			trans	64.3	160.5	161.3	-105	67.1	0	0	0	123.2
594	A	30.7	Very low	28.1	Very low	92 Å²	92	145.1 Å²	145.1	76%	0.76	80%	0.801	S	S	*	*			trans	-142	-154.3	-163.7	0	0	0	0	0	114
595	P	41.2	Very low	27.9	Very low	122 Å²	122	144 Å²	144	79%	0.792	81%	0.808	S	S	*	*				-115.2	175.2	-121.9	38.8	-21.8	0	0	0	116.4
596	K	27.1	Very low	27.5	Very low	210 Å²	210	142.6 Å²	142.6	91%	0.913	81%	0.805	S	S	*	*			trans	-145	160.4	168	-72.5	-163.6	176	-176.5	0	113.2
597	E	28.3	Very low	26.5	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	82%	0.815	S	S	*	*			trans	-102.5	-179	-165	-60.4	177.8	111.4	0	0	115.3
598	C	23.2	Very low	26.4	Very low	125 Å²	125	147.2 Å²	147.2	85%	0.845	82%	0.822	S	S	*	*			trans	-69.8	156.5	-178	-55.4	0	0	0	0	115
599	M	25.5	Very low	26.2	Very low	194 Å²	194	146.5 Å²	146.5	96%	0.956	81%	0.811	S	S	*	*			trans	-141.8	149	147.8	-86.7	-150.9	170.8	0	0	111.3
600	A	24	Very low	26	Very low	99 Å²	99	143.4 Å²	143.4	82%	0.818	80%	0.796	S	S	*	*			trans	-104.4	155.6	167.6	0	0	0	0	0	109.6
601	L	23.5	Very low	26.1	Very low	167 Å²	167	147.7 Å²	147.7	87%	0.874	80%	0.797	S	S	*	*			trans	-137.1	130.9	-178	-128.4	163.7	0	0	0	110.6
602	V	24.9	Very low	26.2	Very low	130 Å²	130	145.4 Å²	145.4	79%	0.788	79%	0.791	S	S	*	*			trans	-122.4	134.2	-179.8	172.9	0	0	0	0	108.3
603	L	22.9	Very low	26.2	Very low	151 Å²	151	143.3 Å²	143.3	79%	0.791	79%	0.787	S	S	*	*			trans	-168.3	115.7	150.7	-92.7	171.2	0	0	0	104.7
604	K	21.5	Very low	26.2	Very low	137 Å²	137	140.1 Å²	140.1	60%	0.596	79%	0.786	S	S	*	*				88.1	115.7	67.3	-173.8	173.8	-168.9	-83.1	0	112	D606	K604-D606 WeakPolarHBondContact CE-OD1 3.43Å; K604-D606 IonicContact NZ-OD1 2.9Å; K604-D606 PolarHBondContact NZ-OD1 2.94Å; K604-D606 IonicContact NZ-OD2 2.65Å; K604-D606 PolarHBondContact NZ-OD2 2.81Å
605	V	25.7	Very low	25.9	Very low	146 Å²	146	142 Å²	142	89%	0.885	79%	0.788	S	S	*	*			trans	-129.3	133.7	161.8	178.6	0	0	0	0	105.7
606	D	23.1	Very low	25.2	Very low	120 Å²	120	143.1 Å²	143.1	64%	0.642	79%	0.792	S	S	*	*			trans	-87.7	170.4	-173.5	-71	-76.4	0	0	0	113.3	K604	K604-D606 WeakPolarHBondContact CE-OD1 3.43Å; K604-D606 IonicContact NZ-OD1 2.9Å; K604-D606 PolarHBondContact NZ-OD1 2.94Å; K604-D606 IonicContact NZ-OD2 2.65Å; K604-D606 PolarHBondContact NZ-OD2 2.81Å
607	S	25.6	Very low	25.1	Very low	117 Å²	117	137.3 Å²	137.3	82%	0.818	78%	0.783	S	S	*	*			trans	-114	-172.5	-176.6	-167.1	0	0	0	0	111.4
608	E	25.2	Very low	25	Very low	163 Å²	163	133.7 Å²	133.7	76%	0.762	77%	0.774	S	S	*	*			trans	89.8	134	-168	-59.7	-170.7	-171.1	0	0	113.3
609	K	26.9	Very low	25	Very low	140 Å²	140	135 Å²	135	61%	0.609	77%	0.772	S	S	*	*			cis	-163	168.2	5.1	-114.5	169	-174.9	-67.8	0	109.4
610	E	25.7	Very low	24.9	Very low	134 Å²	134	133.8 Å²	133.8	63%	0.626	76%	0.764	S	S	*	*			cis	-144.7	-88	4.8	-171.3	81.4	-83.3	0	0	111.3
611	E	26.8	Very low	24.9	Very low	162 Å²	162	136.1 Å²	136.1	76%	0.757	77%	0.768	S	S	*	*			trans	-144.4	179.2	-166	-75.8	179.5	124.7	0	0	111.1
612	L	27.6	Very low	24.8	Very low	143 Å²	143	137.1 Å²	137.1	75%	0.749	77%	0.768	S	S	*	*			cis	-160.4	167.3	23.7	-164.9	68.9	0	0	0	112.4
613	A	25.4	Very low	24.9	Very low	86 Å²	86	138.9 Å²	138.9	71%	0.711	77%	0.772	S	S	*	*			trans	69.3	110.8	153.9	0	0	0	0	0	119.9
614	A	25	Very low	25.5	Very low	107 Å²	107	137.2 Å²	137.2	88%	0.884	77%	0.77	S	S	*	*			trans	-108.7	116	156.6	0	0	0	0	0	109.6
615	T	24.3	Very low	26.4	Very low	132 Å²	132	136.3 Å²	136.3	81%	0.81	78%	0.779	S	S	*	*			trans	-103.2	131.8	172.6	33.3	0	0	0	0	110.8
616	V	27.1	Very low	26.5	Very low	145 Å²	145	137.4 Å²	137.4	88%	0.879	78%	0.779	S	S	*	*			trans	-77.7	130.2	167.3	177.4	0	0	0	0	108.3
617	A	25	Very low	26.6	Very low	87 Å²	87	136.7 Å²	136.7	72%	0.719	79%	0.79	S	S	*	*			trans	-137.5	136.8	173.2	0	0	0	0	0	110.3
618	V	27.1	Very low	26.7	Very low	123 Å²	123	137.1 Å²	137.1	75%	0.745	78%	0.783	S	S	*	*			trans	-98.1	137	175.7	175.6	0	0	0	0	109
619	L	22.6	Very low	26.8	Very low	151 Å²	151	136.8 Å²	136.8	79%	0.791	78%	0.78	S	S	*	*			trans	-144.9	122.7	156.9	-87.7	110.6	0	0	0	105.3
620	E	22.9	Very low	26.6	Very low	170 Å²	170	137.9 Å²	137.9	79%	0.794	79%	0.789	S	S	*	*				56.6	117.5	57	-63	-161.2	142.1	0	0	113.1
621	V	23.9	Very low	26.6	Very low	147 Å²	147	139.5 Å²	139.5	89%	0.891	79%	0.794	S	S	*	*			trans	-135.5	96	177.6	179.3	0	0	0	0	108.2
622	E	21.2	Very low	26.5	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	80%	0.797	S	S	*	*			trans	-93.1	151.1	166.3	-68.9	-164.1	117.9	0	0	111.3
623	L	27.7	Very low	26.3	Very low	167 Å²	167	145.2 Å²	145.2	87%	0.874	80%	0.798	S	S	*	*			trans	-76.4	146.8	161.3	-69.6	151.4	0	0	0	108
624	P	34.8	Very low	26.3	Very low	117 Å²	117	146 Å²	146	76%	0.76	80%	0.799	S	S	*	*				-155	-145.7	70.4	44	-21.5	0	0	0	111.2
625	P	40.8	Very low	26.4	Very low	118 Å²	118	145.4 Å²	145.4	77%	0.766	79%	0.788	S	S	*	*			cis	-130.8	-177.2	-16.3	38.7	-19.7	0	0	0	115.8
626	N	27.4	Very low	26.8	Very low	168 Å²	168	146.4 Å²	146.4	90%	0.898	79%	0.788	S	S	*	*			trans	-79.2	157	175.1	-76.5	-47.2	0	0	0	114.6
627	A	26.1	Very low	26.8	Very low	106 Å²	106	146.7 Å²	146.7	88%	0.876	78%	0.784	S	S	*	*			trans	-145.3	167.2	159.5	0	0	0	0	0	110.9
628	D	27	Very low	27.1	Very low	126 Å²	126	146.2 Å²	146.2	67%	0.674	78%	0.781	S	S	*	*			trans	-123.1	151.4	-140.3	-150.6	10.1	0	0	0	118.7
629	K	27	Very low	27.1	Very low	156 Å²	156	149.1 Å²	149.1	68%	0.678	79%	0.786	S	S	*	*			trans	35.3	130.6	155.9	-77.2	161.5	-164.4	76.3	0	123.6
630	M	23.8	Very low	27.4	Very low	162 Å²	162	153.4 Å²	153.4	80%	0.798	79%	0.791	S	S	*	*			trans	-168.8	158.8	152.8	-93.6	-43.1	123	0	0	110.2
631	K	24.5	Very low	27.5	Very low	169 Å²	169	150.7 Å²	150.7	74%	0.735	79%	0.792	S	S	*	*			cis	-161.7	56.5	-14.5	-155.8	170.7	-153.5	157	0	115.9
632	R	25.6	Very low	27.5	Very low	220 Å²	220	147 Å²	147	83%	0.83	78%	0.783	S	S	*	*			trans	78.3	171.4	171.9	-41.2	167.7	164.4	168.5	-5.9	115.5
633	R	23.5	Very low	28.8	Very low	204 Å²	204	144 Å²	144	77%	0.77	78%	0.78	S	S	*	*			cis	-163.5	154	6.6	-148.9	174	-167	177.2	-0.4	113
634	S	25.7	Very low	29.7	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	77%	0.769	S	S	*	*			trans	59.9	151.4	149.5	42.2	0	0	0	0	121.7
635	S	26.8	Very low	29.3	Very low	94 Å²	94	140 Å²	140	66%	0.657	77%	0.767	S	S	*	*			cis	-178.9	152.9	-18.2	51.9	0	0	0	0	112.5
636	L	32.6	Very low	28.6	Very low	153 Å²	153	142.7 Å²	142.7	80%	0.801	77%	0.769	S	S	*	*			trans	68.7	155.5	162.2	-64.9	157.5	0	0	0	116
637	D	26.8	Very low	28.5	Very low	150 Å²	150	141.5 Å²	141.5	80%	0.802	76%	0.763	S	S	*	*			cis	-134.8	-175.9	15.3	-127.8	-43.9	0	0	0	114.1
638	A	30.4	Very low	28.5	Very low	78 Å²	78	142.9 Å²	142.9	65%	0.645	76%	0.76	S	S	*	*			trans	-135	155.2	-164.5	0	0	0	0	0	118.3
639	Q	28.7	Very low	28.5	Very low	184 Å²	184	145 Å²	145	86%	0.86	77%	0.766	S	S	*	*			trans	-172.5	127.4	147.2	-100	152.6	53.1	0	0	109.8
640	R	28	Very low	28.5	Very low	240 Å²	240	142.8 Å²	142.8	91%	0.906	77%	0.766	S	S	*	*				48.6	132.3	95.1	-82.9	-173.7	168.3	-177.2	-4	115
641	S	25	Very low	28.5	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	76%	0.763	S	S	*	*			cis	-165.7	150.9	1.8	43.5	0	0	0	0	112.3
642	G	24.8	Very low	28.7	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	77%	0.766	S	S	*	*			trans	-94.9	-149.1	162.8	0	0	0	0	0	111.6
643	P	48.3	Very low	28.7	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	76%	0.759	S	S	*	*			cis	-119.6	-135.3	-6.7	40.2	-20.3	0	0	0	109.3
644	P	45.2	Very low	28.9	Very low	99 Å²	99	130.8 Å²	130.8	64%	0.643	76%	0.76	S	S	*	*			cis	-135	174.4	-25.9	39.2	-21.2	0	0	0	116.3
645	S	27.5	Very low	29	Very low	102 Å²	102	132.2 Å²	132.2	71%	0.713	77%	0.765	S	S	*	*			trans	54.5	167.5	139.2	68.7	0	0	0	0	121.7
646	E	26.3	Very low	28.9	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.813	77%	0.773	S	S	*	*			cis	-135.2	175.9	14.1	-73.1	-179	142.3	0	0	114.6
647	D	25	Very low	28.6	Very low	143 Å²	143	130.5 Å²	130.5	77%	0.765	78%	0.779	S	S	*	*			trans	-50.6	165.5	177.8	-47.7	-54.7	0	0	0	115.6
648	T	26.9	Very low	28.5	Very low	134 Å²	134	129.7 Å²	129.7	82%	0.822	78%	0.779	S	S	*	*				-166.3	169.6	64.2	32.1	0	0	0	0	117.1
649	Q	26.6	Very low	28.3	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.794	79%	0.789	S	S	*	*			trans	-48.8	169.1	158.6	-67.7	163.9	-17.2	0	0	114.7
650	T	26.3	Very low	28.1	Very low	111 Å²	111	130.3 Å²	130.3	68%	0.681	78%	0.782	S	S	*	*			cis	-160.4	164	12.2	-7.1	0	0	0	0	113
651	D	24.7	Very low	28	Very low	140 Å²	140	126.5 Å²	126.5	75%	0.749	78%	0.779	S	S	*	*			trans	52	129.9	144.9	-63.1	-21.4	0	0	0	126.1
652	S	26.9	Very low	27.8	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	78%	0.777	S	S	*	*			trans	72.1	151.4	143.8	79.1	0	0	0	0	119.8
653	S	25.9	Very low	27.8	Very low	97 Å²	97	130.1 Å²	130.1	68%	0.678	78%	0.78	S	S	*	*			cis	-163.8	162	-25.4	56.1	0	0	0	0	111.6
654	L	28.6	Very low	26.7	Very low	152 Å²	152	132 Å²	132	80%	0.796	78%	0.781	S	S	*	*			trans	67.4	142.1	154.7	-78.8	159	0	0	0	122.3
655	T	28.2	Very low	25.7	Very low	133 Å²	133	130.3 Å²	130.3	82%	0.816	78%	0.782	S	S	*	*			trans	63.4	103	156.2	49.7	0	0	0	0	121.5
656	G	24.9	Very low	25.7	Very low	81 Å²	81	131.2 Å²	131.2	84%	0.835	79%	0.788	S	S	*	*				73.2	99.5	111.5	0	0	0	0	0	119.7
657	S	26	Very low	25.7	Very low	131 Å²	131	131.1 Å²	131.1	92%	0.916	79%	0.793	S	S	*	*			trans	-104.5	124.4	168.8	-63	0	0	0	0	112.9
658	T	25.1	Very low	25.9	Very low	132 Å²	132	128.9 Å²	128.9	81%	0.81	80%	0.795	S	S	*	*			trans	-116.6	153.7	161.9	51.3	0	0	0	0	109.9
659	M	25.5	Very low	25.9	Very low	173 Å²	173	126 Å²	126	85%	0.852	79%	0.792	S	S	*	*			trans	72.1	130.2	154.4	-71.2	-69.2	-77	0	0	122.1
660	S	23.9	Very low	26	Very low	103 Å²	103	124.2 Å²	124.2	72%	0.72	79%	0.793	S	S	*	*			trans	82.4	143.9	134.7	-156.9	0	0	0	0	121.9
661	L	26.6	Very low	26.2	Very low	159 Å²	159	128.4 Å²	128.4	83%	0.832	80%	0.801	S	S	*	*			trans	-74.2	158.8	168.4	-67	70.7	0	0	0	111.4
662	C	20.8	Very low	26.2	Very low	114 Å²	114	130 Å²	130	77%	0.77	81%	0.805	S	S	*	*			trans	-157.2	115	146	-137.9	0	0	0	0	114.2
663	L	24.3	Very low	26.2	Very low	146 Å²	146	128.9 Å²	128.9	76%	0.764	80%	0.802	S	S	*	*			trans	50.7	151.6	136.8	-68.1	174.9	0	0	0	125.2
664	I	25.5	Very low	27.1	Very low	164 Å²	164	129.5 Å²	129.5	84%	0.841	80%	0.804	S	S	*	*			trans	77	137.3	159.9	-60.5	139.9	0	0	0	117
665	G	23.8	Very low	26.9	Very low	64 Å²	64	133.1 Å²	133.1	66%	0.66	81%	0.807	S	S	*	*			cis	163	172.9	-11.4	0	0	0	0	0	115.8
666	S	27.2	Very low	26.8	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	81%	0.805	S	S	*	*			trans	58.2	129.1	154.5	-57.4	0	0	0	0	123.3
667	N	26.3	Very low	26.9	Very low	172 Å²	172	140 Å²	140	92%	0.92	81%	0.808	S	S	*	*				-159	166.8	121.9	-128.4	-34.9	0	0	0	115.6
668	A	30.2	Very low	27.1	Very low	97 Å²	97	139.1 Å²	139.1	80%	0.802	79%	0.794	S	S	*	*			trans	-92.3	174	-158.5	0	0	0	0	0	118.2
669	G	27.1	Very low	27.2	Very low	74 Å²	74	142.1 Å²	142.1	76%	0.763	80%	0.795	S	S	*	*			trans	-176.7	38.3	179.3	0	0	0	0	0	120.8
670	T	28.7	Very low	27.4	Very low	131 Å²	131	142.3 Å²	142.3	80%	0.804	79%	0.791	S	S	*	*			trans	8.6	127.1	161.6	45.6	0	0	0	0	123.4
671	K	28.9	Very low	27.5	Very low	199 Å²	199	145 Å²	145	87%	0.865	80%	0.798	S	S	*	*				-178.7	174.7	112.1	-100.4	179.2	-179.3	-176.6	0	114.9
672	E	25.5	Very low	27.6	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	79%	0.794	S	S	*	*			trans	-105.4	135.1	-155.5	-60.6	150.7	100.7	0	0	116.1
673	A	26.7	Very low	28	Very low	90 Å²	90	144.4 Å²	144.4	74%	0.744	80%	0.8	S	S	*	*				41.2	174.9	115.9	0	0	0	0	0	122.3
674	P	44.3	Very low	28.1	Very low	109 Å²	109	141.4 Å²	141.4	71%	0.708	80%	0.796	S	S	*	*			cis	-137.7	-172.2	-16.8	24.8	0.8	0	0	0	115.4
675	R	25.4	Very low	28.2	Very low	229 Å²	229	138.1 Å²	138.1	86%	0.864	79%	0.787	S	S	*	*			trans	100.7	83	149	-54.2	-163.3	176.6	-175.3	-1.3	121.5
676	L	26.1	Very low	28.4	Very low	149 Å²	149	141.8 Å²	141.8	78%	0.78	80%	0.797	S	S	*	*				35.7	129.9	103.2	-156	89.6	0	0	0	120
677	K	27	Very low	28.3	Very low	208 Å²	208	139.2 Å²	139.2	90%	0.904	79%	0.79	S	S	*	*			trans	-155.3	131.3	140.7	-126.3	174.9	-173.8	177	0	113.3
678	D	29.8	Very low	28.4	Very low	113 Å²	113	139.2 Å²	139.2	60%	0.604	79%	0.788	S	S	*	*			trans	-87.8	153.8	-175.8	-46.6	-104.6	0	0	0	114.8
679	K	28.1	Very low	28.2	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	79%	0.791	S	S	*	*				173.5	118.8	112.1	-91.6	169.9	-177.2	-177.3	0	109.4
680	K	28.4	Very low	28.8	Very low	177 Å²	177	143.8 Å²	143.8	77%	0.77	79%	0.787	S	S	*	*				82.4	107.4	67.7	-83.7	-161.2	173.8	-170.8	0	114
681	N	26.5	Very low	28.7	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	79%	0.785	S	S	*	*				165.4	140.5	129.6	-82.3	-8.4	0	0	0	108
682	A	28.9	Very low	28.5	Very low	91 Å²	91	142.4 Å²	142.4	75%	0.752	78%	0.779	S	S	*	*			cis	-143.5	178.4	2.6	0	0	0	0	0	112.8
683	L	28.9	Very low	28.6	Very low	169 Å²	169	141.1 Å²	141.1	89%	0.885	78%	0.777	S	S	*	*			trans	-54.4	164.2	167.8	-75.1	69.9	0	0	0	111.7
684	A	27.9	Very low	28.6	Very low	84 Å²	84	140.7 Å²	140.7	69%	0.694	77%	0.774	S	S	*	*			cis	-159	168.9	7.2	0	0	0	0	0	108.5
685	S	27	Very low	27.8	Very low	94 Å²	94	146.8 Å²	146.8	66%	0.657	78%	0.782	S	S	*	*			cis	160.5	122.5	-25.8	58.3	0	0	0	0	106.5
686	V	28.4	Very low	27.7	Very low	141 Å²	141	142.8 Å²	142.8	86%	0.855	78%	0.784	S	S	*	*			trans	63.3	133.9	158.7	-174.1	0	0	0	0	117.2
687	G	24.9	Very low	27.8	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	79%	0.788	S	S	*	*			cis	151.6	-158.2	-2.5	0	0	0	0	0	112.1
688	L	27.3	Very low	27.6	Very low	171 Å²	171	145.7 Å²	145.7	90%	0.895	79%	0.786	S	S	*	*			trans	82.5	107.9	172.8	-58.8	169.6	0	0	0	118.6
689	L	27.2	Very low	27.3	Very low	163 Å²	163	151.1 Å²	151.1	85%	0.853	80%	0.798	S	S	*	*			trans	-50.3	168.6	143.9	-73.6	161.6	0	0	0	111.5
690	P	38.3	Very low	27.2	Very low	105 Å²	105	151.7 Å²	151.7	68%	0.682	80%	0.801	S	S	*	*			cis	-157.7	-177.5	39.5	44.1	-21.3	0	0	0	120.7
691	N	26.7	Very low	26.9	Very low	143 Å²	143	147.7 Å²	147.7	77%	0.765	80%	0.795	S	S	*	*			trans	73.6	119.7	138.2	-85	23.9	0	0	0	124.8
692	E	25.9	Very low	26.7	Very low	158 Å²	158	148.7 Å²	148.7	74%	0.738	79%	0.792	S	S	*	*				82.2	156.2	119.7	-79.2	-70.8	-174.8	0	0	124.9
693	L	27.8	Very low	26.6	Very low	147 Å²	147	151.5 Å²	151.5	77%	0.77	80%	0.795	S	S	*	*			trans	67.8	91.2	155.6	-74.5	161.5	0	0	0	121.1
694	A	25.6	Very low	26.4	Very low	82 Å²	82	146.8 Å²	146.8	68%	0.678	79%	0.787	S	S	*	*				55.8	133.3	113.5	0	0	0	0	0	123
695	R	27.4	Very low	26.2	Very low	236 Å²	236	146.6 Å²	146.6	89%	0.891	79%	0.794	S	S	*	*			trans	32	118.2	146.2	-72	179.1	169.2	163	-3.2	118.7
696	T	24.6	Very low	26.2	Very low	145 Å²	145	148 Å²	148	89%	0.89	79%	0.794	S	S	*	*				-164.8	160.6	104.7	12.7	0	0	0	0	113
697	R	26.9	Very low	26.1	Very low	231 Å²	231	150.2 Å²	150.2	87%	0.872	79%	0.788	S	S	*	*			trans	-72.2	148.2	162.6	-64	168.8	169.1	163.7	-6.3	108.9
698	H	23.9	Very low	26.3	Very low	187 Å²	187	151.6 Å²	151.6	87%	0.866	79%	0.787	S	S	*	*			trans	-156.6	151.7	134.8	-113.7	-81.6	0	0	0	111.9
699	R	22.8	Very low	26.3	Very low	227 Å²	227	150.4 Å²	150.4	86%	0.857	78%	0.78	S	S	*	*			trans	-79.6	150.2	172.6	-72.7	172.3	165.6	161	-8.4	110.6
700	F	25.9	Very low	26.2	Very low	208 Å²	208	149.8 Å²	149.8	91%	0.912	77%	0.771	S	S	*	*			trans	-133.3	165.5	144.6	-87.1	-78	0	0	0	110.6
701	S	21.9	Very low	25.6	Very low	92 Å²	92	152.9 Å²	152.9	64%	0.643	78%	0.776	S	S	*	*			trans	-157.1	170	-170	-178.6	0	0	0	0	108.7
702	F	23.4	Very low	25.4	Very low	181 Å²	181	150.4 Å²	150.4	79%	0.794	77%	0.77	S	S	*	*			trans	76.9	148.1	-178.5	-62.1	-89.2	0	0	0	114.6
703	D	25.8	Very low	25.4	Very low	150 Å²	150	151.2 Å²	151.2	80%	0.802	77%	0.774	S	S	*	*			cis	-150.7	169.4	3.8	-143.1	-18.3	0	0	0	114.7
704	G	24.8	Very low	25.3	Very low	71 Å²	71	149.3 Å²	149.3	73%	0.732	77%	0.773	S	S	*	*			trans	80.8	138.1	170.1	0	0	0	0	0	114.6
705	G	24.2	Very low	25.4	Very low	80 Å²	80	156.4 Å²	156.4	83%	0.825	78%	0.783	S	S	*	*			cis	144.5	142.5	11.6	0	0	0	0	0	106.5
706	D	26.5	Very low	25.7	Very low	124 Å²	124	151.1 Å²	151.1	66%	0.663	78%	0.779	S	S	*	*			cis	-161.4	171.4	25.1	-156.9	-8.1	0	0	0	110.9
707	Y	27.2	Very low	25.9	Very low	187 Å²	187	156 Å²	156	73%	0.733	78%	0.781	S	S	*	*			trans	59.2	104.7	173.7	-59.1	-71.5	0	0	0	118.7
708	S	28.1	Very low	26	Very low	95 Å²	95	156.7 Å²	156.7	66%	0.664	78%	0.784	S	S	*	*				74.1	134.5	74.7	88.3	0	0	0	0	113.7
709	I	28	Very low	26.2	Very low	146 Å²	146	152.6 Å²	152.6	75%	0.749	78%	0.783	S	S	*	*			cis	-160.1	176.8	8.2	-147.1	155.5	0	0	0	107.2
710	F	25.7	Very low	26.4	Very low	151 Å²	151	153.6 Å²	153.6	66%	0.662	79%	0.786	S	S	*	*			cis	-163.5	140.7	23.8	-153.5	-1.4	0	0	0	113
711	Q	25.6	Very low	26.5	Very low	169 Å²	169	149.5 Å²	149.5	79%	0.79	78%	0.779	S	S	*	*			trans	55.9	156.2	152.5	-91.2	174.7	-2.6	0	0	123.3
712	S	22.2	Very low	26.7	Very low	92 Å²	92	156 Å²	156	64%	0.643	79%	0.789	S	S	*	*			trans	-127.8	163.7	-165.4	55	0	0	0	0	112.1
713	H	26.2	Very low	26.9	Very low	175 Å²	175	158.4 Å²	158.4	81%	0.81	79%	0.793	S	S	*	*				179.1	150	120.3	-97.6	-69.3	0	0	0	114.3
714	S	25.5	Very low	26.9	Very low	107 Å²	107	159.8 Å²	159.8	75%	0.748	80%	0.795	S	S	*	*			trans	57.4	121.7	153.1	55.4	0	0	0	0	122.2
715	Y	26.4	Very low	26.9	Very low	230 Å²	230	167.2 Å²	167.2	90%	0.902	80%	0.8	S	S	*	*			trans	-55.6	151.2	152.2	-72.3	-83	0	0	0	112.1
716	P	34.2	Very low	27	Very low	125 Å²	125	168.6 Å²	168.6	81%	0.812	80%	0.797	S	S	*	*				-143.3	172.5	84.2	38.4	-22	0	0	0	116.5
717	R	29	Very low	27.1	Very low	247 Å²	247	168.5 Å²	168.5	93%	0.932	80%	0.802	S	S	*	*			trans	-56.8	137.8	179.3	-60	169.3	173.4	170.1	-5	113.8
718	R	29.2	Very low	27.2	Very low	246 Å²	246	167 Å²	167	93%	0.928	81%	0.806	S	S	*	*			trans	-163.6	131.1	132.7	-120.2	172.6	-179.6	161.8	0.9	112.6
719	A	27.5	Very low	27.2	Very low	101 Å²	101	171.4 Å²	171.4	84%	0.835	82%	0.816	S	S	*	*			trans	-72.6	146	168.2	0	0	0	0	0	110.5
720	R	27.2	Very low	27.1	Very low	248 Å²	248	172.1 Å²	172.1	94%	0.936	82%	0.821	S	S	*	*			trans	-101.1	112.3	171	-86	-179.8	163.4	176	-4.4	109.8
721	T	28.8	Very low	27.3	Very low	122 Å²	122	172.1 Å²	172.1	75%	0.748	83%	0.828	S	S	*	*			trans	-80	127.1	158.9	43.5	0	0	0	0	108.9
722	R	26.4	Very low	27.3	Very low	229 Å²	229	170.9 Å²	170.9	86%	0.864	83%	0.832	S	S	*	*			trans	-95.3	114.5	-176.5	-158.3	-179.5	-163.8	175.4	3.7	109.1
723	W	26.8	Very low	27.4	Very low	231 Å²	231	176 Å²	176	88%	0.875	85%	0.846	S	S	*	*			trans	-80.9	126.3	179.4	-74.1	63	0	0	0	110.7
724	H	25.2	Very low	27.5	Very low	180 Å²	180	172.9 Å²	172.9	83%	0.833	84%	0.843	S	S	*	*			trans	-90	127	159.9	-81.5	-101.4	0	0	0	108.9
725	R	25.3	Very low	27.7	Very low	227 Å²	227	173.8 Å²	173.8	86%	0.857	85%	0.85	S	S	*	*			trans	-120.3	118.9	172.2	-173.2	176.7	-173.3	174.5	3.5	108.5	T727	R725-T727 PolarHBondContact O-N 3.25Å
726	S	27.1	Very low	28.3	Very low	108 Å²	108	168.2 Å²	168.2	76%	0.755	84%	0.841	S	S	*	*			trans	-63.1	132.8	171.5	-175	0	0	0	0	110.1
727	T	27.1	Very low	28.1	Very low	123 Å²	123	170.3 Å²	170.3	76%	0.755	85%	0.845	S	S	*	*			trans	-104.8	104.7	176.2	46.3	0	0	0	0	110.2	R725	R725-T727 PolarHBondContact O-N 3.25Å
728	N	29.1	Very low	28.1	Very low	155 Å²	155	163.5 Å²	163.5	83%	0.829	84%	0.842	S	S	*	*			trans	-68	132.7	160.6	-75.7	-4.7	0	0	0	109
729	Q	28	Very low	28.1	Very low	188 Å²	188	159.9 Å²	159.9	88%	0.879	84%	0.841	S	S	*	*			trans	-73.4	140.6	167.4	-64.7	173.6	-21	0	0	109.7
730	L	27.7	Very low	28.1	Very low	161 Å²	161	166.4 Å²	166.4	84%	0.843	84%	0.844	S	S	*	*			trans	-164.2	142.7	140.5	-110	161.6	0	0	0	111.5
731	N	28	Very low	28.1	Very low	151 Å²	151	166.5 Å²	166.5	81%	0.807	84%	0.844	S	S	*	*			trans	-37.4	142.2	-169.4	-55.5	-15.8	0	0	0	118.2
732	T	26.3	Very low	28	Very low	143 Å²	143	166.5 Å²	166.5	88%	0.877	84%	0.844	S	S	*	*			trans	-77.1	128.3	162.4	46.5	0	0	0	0	111.9
733	E	25.4	Very low	28	Very low	200 Å²	200	161.8 Å²	161.8	94%	0.935	84%	0.841	S	S	*	*			trans	-147.4	151.9	150.5	-139.2	170.4	-137.1	0	0	109
734	S	27.9	Very low	27.9	Very low	109 Å²	109	160.8 Å²	160.8	76%	0.762	84%	0.843	S	S	*	*			trans	-131.9	120.3	-157.2	58.9	0	0	0	0	114.8
735	S	29.3	Very low	27.9	Very low	126 Å²	126	157.5 Å²	157.5	88%	0.881	84%	0.84	S	S	*	*			trans	-156.2	153.6	161.1	-70.4	0	0	0	0	110.7
736	P	39.3	Very low	28	Very low	112 Å²	112	151.2 Å²	151.2	73%	0.727	83%	0.831	S	S	*	*			trans	-115.3	-177.8	-162.2	42.8	-34.5	0	0	0	116.1
737	L	29.3	Very low	28.1	Very low	169 Å²	169	151.3 Å²	151.3	89%	0.885	83%	0.827	S	S	*	*			trans	79.1	105	162.6	-61.5	163.9	0	0	0	119.3
738	A	28.6	Very low	28.1	Very low	105 Å²	105	154.2 Å²	154.2	87%	0.868	83%	0.832	S	S	*	*			trans	-162.2	141.8	132	0	0	0	0	0	111.7
739	N	29.8	Very low	28	Very low	170 Å²	170	158 Å²	158	91%	0.909	84%	0.835	S	S	*	*			trans	-81.8	132.3	172	-95.8	-45.7	0	0	0	111.3
740	R	27.6	Very low	28	Very low	237 Å²	237	157.2 Å²	157.2	89%	0.894	83%	0.833	S	S	*	*			trans	-154	113	149.1	-134.3	171.9	-174.9	173.4	1	112.7
741	R	28.3	Very low	27.9	Very low	250 Å²	250	157.3 Å²	157.3	94%	0.943	83%	0.834	S	S	*	*			trans	-75.1	129.8	159.2	-68.8	-178.9	-178.6	172.8	0.1	108.2
742	V	26.3	Very low	27.8	Very low	122 Å²	122	158.6 Å²	158.6	74%	0.739	84%	0.835	S	S	*	*			trans	-133	145.1	154	-177.5	0	0	0	0	107.6
743	T	25.8	Very low	27.8	Very low	130 Å²	130	155.4 Å²	155.4	80%	0.798	82%	0.819	S	S	*	*			trans	-63.2	148.3	-167.5	44.2	0	0	0	0	115
744	F	24	Very low	28	Very low	211 Å²	211	152.8 Å²	152.8	93%	0.925	82%	0.816	S	S	*	*			trans	-60.3	144.4	157.6	-82.8	-97.3	0	0	0	110.7
745	S	25.4	Very low	28.1	Very low	111 Å²	111	156.1 Å²	156.1	78%	0.776	83%	0.832	S	S	*	*			trans	-118.7	131.3	153.8	-168.2	0	0	0	0	109.2
746	S	27.3	Very low	28.1	Very low	95 Å²	95	157.7 Å²	157.7	66%	0.664	83%	0.829	S	S	*	*			trans	-64.5	159.1	156.6	47	0	0	0	0	110.5
747	T	28.6	Very low	27.5	Very low	109 Å²	109	160.1 Å²	160.1	67%	0.669	84%	0.835	S	S	*	*			cis	-168.1	130.9	-13.6	22.4	0	0	0	0	107
748	E	27.7	Very low	27.4	Very low	184 Å²	184	159.6 Å²	159.6	86%	0.86	83%	0.832	S	S	*	*			trans	-134.3	116.1	154.7	-76.5	-167.4	135.5	0	0	109
749	W	27.7	Very low	27.3	Very low	235 Å²	235	162.8 Å²	162.8	89%	0.89	83%	0.83	S	S	*	*			trans	-119.5	90.1	171.1	-75	93.4	0	0	0	107.5
750	M	26.9	Very low	27.1	Very low	172 Å²	172	162.3 Å²	162.3	85%	0.847	83%	0.825	S	S	*	*			trans	-75.7	124.6	166.7	-74.7	-166.1	-74.1	0	0	109.2
751	L	27.1	Very low	27.1	Very low	163 Å²	163	157.3 Å²	157.3	85%	0.853	82%	0.82	S	S	*	*			trans	-104.9	94.4	168.1	-92.1	161.8	0	0	0	107.8
752	E	26.3	Very low	27	Very low	178 Å²	178	150.7 Å²	150.7	83%	0.832	81%	0.811	S	S	*	*			trans	-70.3	128.5	161.6	-72.8	-172	127.3	0	0	108.9
753	S	25.7	Very low	27.1	Very low	76 Å²	76	152.9 Å²	152.9	53%	0.531	82%	0.817	S	S	.	*			trans	-143.1	75.6	-175.9	174.4	0	0	0	0	108.5	Y459 V755	Y459-S753 PolarHBondContact OH-O 3.29Å; S753-V755 PolarHBondContact O-N 3.33Å
754	T	28.3	Very low	27.2	Very low	144 Å²	144	154.8 Å²	154.8	88%	0.883	82%	0.819	S	S	*	*			trans	-65.3	123.9	165	52	0	0	0	0	109
755	V	31.5	Very low	27.5	Very low	180 Å²	180	149.7 Å²	149.7	100%	1.091	81%	0.809	S	S	*	*			trans	-105.3	0	173.1	-179.2	0	0	0	0	108.6	S753	S753-V755 PolarHBondContact O-N 3.33Å

Retrieved 755 of 755 residues in 1536 ms (Link to these results)

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