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Iron-regulated surface determinant protein C

Involved in heme (porphyrin) scavenging. Binds hemoglobin and almost exclusively free-base protoporphyrin IX. Probably has a role as the central conduit of the isd heme uptake system, i.e. mediates the transfer of the iron-containing nutrient from IsdABH to the membrane translocation system IsdDEF. Hemin-free IsdC (apo-IsdC) acquires hemin from hemin-containing IsdA (holo-IsdA) probably through the activated holo-IsdA-apo-IsdC complex and due to the higher affinity of apo-IsdC for the cofactor. The reaction is reversible (By similarity).

AlphaFold DB , UniProt , Accession Q8KQR1, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene isdC, Length 227 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.1	Low	73.4	Confident	209 Å²	209	126.9 Å²	126.9	100%	1.03	64%	0.643	S	S	*	*				0	-47	0	-65.2	179.6	-171.7	0	0	113.7	N3 I4 L5	M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.44Å; M1-I4 PolarHBondContact O-N 3.05Å; M1-I4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.33Å
2	K	73.5	Confident	74.1	Confident	186 Å²	186	122.2 Å²	122.2	81%	0.809	62%	0.619	S	S	*	*	H	α-helix	trans	-54.5	-36.5	179.9	-71.4	-178.9	177.6	179.6	0	114.8	K6	K2-K6 PolarHBondContact O-N 3.43Å; K2-K6 VanDerWaalsContact O-N 3.16Å
3	N	73.7	Confident	74.5	Confident	131 Å²	131	120.8 Å²	120.8	70%	0.701	61%	0.613	S	S	*	*	H	α-helix	trans	-71	-36.3	179.9	-62.4	4.4	0	0	0	112.6	M1 K6 V7	M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.44Å; N3-K6 PolarHBondContact O-N 3.26Å; N3-V7 WeakPolarHBondContact O-CG2 3.31Å; N3-V7 PolarHBondContact O-N 3.14Å
4	I	74.1	Confident	74.6	Confident	129 Å²	129	115.6 Å²	115.6	66%	0.662	60%	0.598	S	S	*	*	H	α-helix	trans	-67	-41.9	177.7	-65.7	168.2	0	0	0	110.4	M1 K6 V7 F8	M1-I4 PolarHBondContact O-N 3.05Å; M1-I4 VanDerWaalsContact O-N 3.14Å; I4-K6 VanDerWaalsContact C-N 3.31Å; I4-K6 PolarHBondContact O-N 3.29Å; I4-V7 PolarHBondContact O-N 3.2Å; I4-F8 PolarHBondContact O-N 3.24Å
5	L	71.5	Confident	75	Confident	108 Å²	108	114.7 Å²	114.7	57%	0.565	59%	0.594	S	S	*	*	H	α-helix	trans	-64.6	-36	176.5	-170.8	64.6	0	0	0	112.1	M1 F8 N9	M1-L5 PolarHBondContact O-N 3.33Å; L5-F8 PolarHBondContact O-N 3.48Å; L5-N9 PolarHBondContact O-N 2.97Å
6	K	69.6	Low	75.1	Confident	158 Å²	158	113.6 Å²	113.6	69%	0.687	59%	0.588	S	S	*	*	H	α-helix	trans	-64	-45.9	174.4	-124.1	-179.7	-175.7	179.3	0	111.6	K2 N3 I4 N9 T10	K2-K6 PolarHBondContact O-N 3.43Å; K2-K6 VanDerWaalsContact O-N 3.16Å; N3-K6 PolarHBondContact O-N 3.26Å; I4-K6 VanDerWaalsContact C-N 3.31Å; I4-K6 PolarHBondContact O-N 3.29Å; K6-N9 PolarHBondContact O-N 3.49Å; K6-T10 PolarHBondContact O-N 3.43Å; K6-T10 PolarHBondContact O-OG1 3.16Å
7	V	76.2	Confident	75	Confident	90 Å²	90	113 Å²	113	55%	0.545	58%	0.584	S	S	.	*	H	α-helix	trans	-61	-45.3	177.3	175.1	0	0	0	0	110.7	N3 I4 N9 T10 T11	N3-V7 WeakPolarHBondContact O-CG2 3.31Å; N3-V7 PolarHBondContact O-N 3.14Å; I4-V7 PolarHBondContact O-N 3.2Å; V7-N9 PolarHBondContact O-N 2.95Å; V7-T10 VanDerWaalsContact CA-OG1 3.31Å; V7-T10 WeakPolarHBondContact CA-OG1 3.36Å; V7-T10 PolarHBondContact O-N 2.81Å; V7-T10 PolarHBondContact O-OG1 2.96Å; V7-T11 PolarHBondContact O-N 2.9Å; V7-T11 PolarHBondContact O-OG1 3.22Å
8	F	75.9	Confident	74.8	Confident	122 Å²	122	111.4 Å²	111.4	54%	0.535	58%	0.576	S	S	.	*	H	α-helix	trans	-60.8	-45.2	178.9	-171.5	-107.7	0	0	0	112.6	I4 L5 T10 T11 I12	I4-F8 PolarHBondContact O-N 3.24Å; L5-F8 PolarHBondContact O-N 3.48Å; F8-T10 PolarHBondContact O-N 3.26Å; F8-T11 VanDerWaalsContact CA-OG1 3.29Å; F8-T11 WeakPolarHBondContact CA-OG1 3.29Å; F8-T11 PolarHBondContact O-N 3.27Å; F8-T11 PolarHBondContact O-OG1 2.75Å; F8-I12 HydrophobicContact CD1-CD1 3.71Å; F8-I12 HydrophobicContact CE1-CD1 3.21Å; F8-I12 HydrophobicContact CE1-CG1 4.32Å; F8-I12 HydrophobicContact CE2-CD1 4.27Å; F8-I12 HydrophobicContact CG-CD1 4.44Å; F8-I12 HydrophobicContact CZ-CD1 3.54Å; F8-I12 HydrophobicContact CZ-CG1 4.37Å; F8-I12 PolarHBondContact O-N 3.01Å
9	N	78.7	Confident	74.4	Confident	97 Å²	97	110.6 Å²	110.6	52%	0.519	57%	0.572	S	S	.	*	H	α-helix	trans	-65.3	-38.1	176.4	-80.6	-1.4	0	0	0	112.4	L5 K6 V7 L13	L5-N9 PolarHBondContact O-N 2.97Å; K6-N9 PolarHBondContact O-N 3.49Å; V7-N9 PolarHBondContact O-N 2.95Å; N9-L13 PolarHBondContact O-N 3.05Å; N9-L13 VanDerWaalsContact O-N 3.09Å
10	T	75.8	Confident	73.7	Confident	88 Å²	88	107.7 Å²	107.7	54%	0.54	57%	0.565	S	S	.	*	H	α-helix	trans	-67.5	-37.1	174.6	45.1	0	0	0	0	112.6	K6 V7 F8 L13 A14	K6-T10 PolarHBondContact O-N 3.43Å; K6-T10 PolarHBondContact O-OG1 3.16Å; V7-T10 VanDerWaalsContact CA-OG1 3.31Å; V7-T10 WeakPolarHBondContact CA-OG1 3.36Å; V7-T10 PolarHBondContact O-N 2.81Å; V7-T10 PolarHBondContact O-OG1 2.96Å; F8-T10 PolarHBondContact O-N 3.26Å; T10-L13 PolarHBondContact O-N 3.36Å; T10-A14 PolarHBondContact O-N 3.48Å
11	T	74	Confident	73.1	Confident	78 Å²	78	107 Å²	107	48%	0.479	57%	0.565	S	S	.	*	H	α-helix	trans	-69.9	-37.3	176.3	41.2	0	0	0	0	112.7	V7 F8 A14 L15	V7-T11 PolarHBondContact O-N 2.9Å; V7-T11 PolarHBondContact O-OG1 3.22Å; F8-T11 VanDerWaalsContact CA-OG1 3.29Å; F8-T11 WeakPolarHBondContact CA-OG1 3.29Å; F8-T11 PolarHBondContact O-N 3.27Å; F8-T11 PolarHBondContact O-OG1 2.75Å; T11-A14 PolarHBondContact O-N 3.19Å; T11-L15 WeakPolarHBondContact O-CB 3.48Å; T11-L15 PolarHBondContact O-N 3.49Å
12	I	82.5	Confident	72.8	Confident	70 Å²	70	104.1 Å²	104.1	36%	0.359	55%	0.547	S	S	.	.	H	α-helix	trans	-64.9	-43.4	174.6	-76.1	174.9	0	0	0	110.9	F8 A14 L15 I16	F8-I12 HydrophobicContact CD1-CD1 3.71Å; F8-I12 HydrophobicContact CE1-CD1 3.21Å; F8-I12 HydrophobicContact CE1-CG1 4.32Å; F8-I12 HydrophobicContact CE2-CD1 4.27Å; F8-I12 HydrophobicContact CG-CD1 4.44Å; F8-I12 HydrophobicContact CZ-CD1 3.54Å; F8-I12 HydrophobicContact CZ-CG1 4.37Å; F8-I12 PolarHBondContact O-N 3.01Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 3.47Å; I12-L15 PolarHBondContact O-N 3.09Å; I12-I16 HydrophobicContact CG2-CD1 3.84Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CG1 3.06Å; I12-I16 PolarHBondContact O-N 3.49Å
13	L	79.4	Confident	72	Confident	104 Å²	104	99.5 Å²	99.5	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-40.4	179.1	-172.1	61.8	0	0	0	111.7	N9 T10 L15 I16 I17	N9-L13 PolarHBondContact O-N 3.05Å; N9-L13 VanDerWaalsContact O-N 3.09Å; T10-L13 PolarHBondContact O-N 3.36Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.96Å; L13-I16 PolarHBondContact O-N 3Å; L13-I17 HydrophobicContact CG-CD1 4.44Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3Å; L13-I17 VanDerWaalsContact O-N 3.13Å
14	A	76.2	Confident	71	Confident	48 Å²	48	99.6 Å²	99.6	40%	0.397	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-41.2	173.2	0	0	0	0	0	111.9	T10 T11 I12 I17 I18	T10-A14 PolarHBondContact O-N 3.48Å; T11-A14 PolarHBondContact O-N 3.19Å; I12-A14 VanDerWaalsContact C-N 3.34Å; I12-A14 PolarHBondContact O-N 3.47Å; A14-I17 PolarHBondContact O-N 3.47Å; A14-I18 WeakPolarHBondContact O-CD1 3.49Å; A14-I18 VanDerWaalsContact O-CG1 3.25Å; A14-I18 WeakPolarHBondContact O-CG1 3.48Å; A14-I18 PolarHBondContact O-N 3.07Å
15	L	79.7	Confident	70.1	Confident	102 Å²	102	97.8 Å²	97.8	53%	0.534	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-40.3	177.3	-173.2	64.5	0	0	0	112.4	T11 I12 L13 I17 I18 I19	T11-L15 WeakPolarHBondContact O-CB 3.48Å; T11-L15 PolarHBondContact O-N 3.49Å; I12-L15 PolarHBondContact O-N 3.09Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.96Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.41Å; L15-I18 PolarHBondContact O-N 2.92Å; L15-I19 HydrophobicContact CG-CD1 4.05Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 3.29Å
16	I	76.9	Confident	69.3	Low	97 Å²	97	96.6 Å²	96.6	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-41.1	176.9	-67.9	167.1	0	0	0	111	I12 L13 I18 I19 A20	I12-I16 HydrophobicContact CG2-CD1 3.84Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CG1 3.06Å; I12-I16 PolarHBondContact O-N 3.49Å; L13-I16 PolarHBondContact O-N 3Å; I16-I18 VanDerWaalsContact C-N 3.35Å; I16-I19 PolarHBondContact O-N 3.02Å; I16-A20 WeakPolarHBondContact O-CB 3.37Å; I16-A20 PolarHBondContact O-N 2.88Å
17	I	73.1	Confident	68.7	Low	104 Å²	104	96.4 Å²	96.4	53%	0.533	55%	0.55	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.4	-65.9	167.1	0	0	0	110.5	L13 A14 L15 A20 T21	L13-I17 HydrophobicContact CG-CD1 4.44Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3Å; L13-I17 VanDerWaalsContact O-N 3.13Å; A14-I17 PolarHBondContact O-N 3.47Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.41Å; I17-A20 PolarHBondContact O-N 3.05Å; I17-T21 WeakPolarHBondContact O-CG2 3.48Å; I17-T21 PolarHBondContact O-N 3.22Å; I17-T21 VanDerWaalsContact O-N 3.14Å
18	I	71.1	Confident	68.1	Low	85 Å²	85	96.5 Å²	96.5	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-61.2	-46.9	177.3	-69.1	165.6	0	0	0	110.8	A14 L15 I16 A20 T21 F22	A14-I18 WeakPolarHBondContact O-CD1 3.49Å; A14-I18 VanDerWaalsContact O-CG1 3.25Å; A14-I18 WeakPolarHBondContact O-CG1 3.48Å; A14-I18 PolarHBondContact O-N 3.07Å; L15-I18 PolarHBondContact O-N 2.92Å; I16-I18 VanDerWaalsContact C-N 3.35Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.96Å; I18-T21 PolarHBondContact O-N 2.71Å; I18-T21 PolarHBondContact O-OG1 3.29Å; I18-F22 HydrophobicContact CG2-CD2 3.97Å; I18-F22 HydrophobicContact CG2-CE2 3.34Å; I18-F22 HydrophobicContact CG2-CZ 4.31Å; I18-F22 WeakPolarHBondContact O-CD2 3.36Å; I18-F22 PolarHBondContact O-N 2.96Å
19	I	67.1	Low	68	Low	96 Å²	96	93.3 Å²	93.3	49%	0.492	56%	0.556	S	S	.	*	H	α-helix	trans	-61.5	-42.1	177.8	-64.5	163.7	0	0	0	111.1	L15 I16 T21 F22 S23	L15-I19 HydrophobicContact CG-CD1 4.05Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 3.29Å; I16-I19 PolarHBondContact O-N 3.02Å; I19-T21 PolarHBondContact O-N 3.18Å; I19-F22 PolarHBondContact O-N 3.14Å; I19-F22 VanDerWaalsContact O-N 3.14Å; I19-S23 PolarHBondContact O-N 3.41Å; I19-S23 PolarHBondContact O-OG 2.77Å
20	A	61.9	Low	68.3	Low	52 Å²	52	92.4 Å²	92.4	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-63.3	-29.2	178.6	0	0	0	0	0	113.1	I16 I17 I18 N24	I16-A20 WeakPolarHBondContact O-CB 3.37Å; I16-A20 PolarHBondContact O-N 2.88Å; I17-A20 PolarHBondContact O-N 3.05Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.96Å; A20-N24 PolarHBondContact O-ND2 3.28Å
21	T	60	Low	69.2	Low	94 Å²	94	91.8 Å²	91.8	58%	0.577	55%	0.551	S	S	*	*	H	α-helix	trans	-73.2	-26.9	175.4	58.7	0	0	0	0	113.6	I17 I18 I19	I17-T21 WeakPolarHBondContact O-CG2 3.48Å; I17-T21 PolarHBondContact O-N 3.22Å; I17-T21 VanDerWaalsContact O-N 3.14Å; I18-T21 PolarHBondContact O-N 2.71Å; I18-T21 PolarHBondContact O-OG1 3.29Å; I19-T21 PolarHBondContact O-N 3.18Å
22	F	58.3	Low	70.1	Confident	147 Å²	147	89.2 Å²	89.2	65%	0.645	54%	0.54	S	S	*	.	H	α-helix	trans	-84.3	-24.1	-179.4	-67.1	-62.8	0	0	0	114.3	I18 I19 N24 S25	I18-F22 HydrophobicContact CG2-CD2 3.97Å; I18-F22 HydrophobicContact CG2-CE2 3.34Å; I18-F22 HydrophobicContact CG2-CZ 4.31Å; I18-F22 WeakPolarHBondContact O-CD2 3.36Å; I18-F22 PolarHBondContact O-N 2.96Å; I19-F22 PolarHBondContact O-N 3.14Å; I19-F22 VanDerWaalsContact O-N 3.14Å; F22-N24 VanDerWaalsContact C-N 3.28Å; F22-N24 PolarHBondContact O-N 3.44Å; F22-S25 PolarHBondContact O-OG 3.48Å
23	S	56.2	Low	70.8	Confident	89 Å²	89	90.7 Å²	90.7	62%	0.622	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-19.5	-178.8	-55.9	0	0	0	0	113.9	I19	I19-S23 PolarHBondContact O-N 3.41Å; I19-S23 PolarHBondContact O-OG 2.77Å
24	N	53.4	Low	71.6	Confident	133 Å²	133	85.8 Å²	85.8	71%	0.711	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	6.3	-172.4	-73.5	-43	0	0	0	115	A20 F22 A26	A20-N24 PolarHBondContact O-ND2 3.28Å; F22-N24 VanDerWaalsContact C-N 3.28Å; F22-N24 PolarHBondContact O-N 3.44Å; N24-A26 PolarHBondContact O-N 3.13Å
25	S	55	Low	72.7	Confident	92 Å²	92	88.3 Å²	88.3	64%	0.643	53%	0.533	S	S	*	.			trans	-71.9	56.8	156.1	46.5	0	0	0	0	109.5	F22 N27	F22-S25 PolarHBondContact O-OG 3.48Å; S25-N27 VanDerWaalsContact C-N 3.31Å; S25-N27 PolarHBondContact O-N 3.31Å
26	A	53.9	Low	73.6	Confident	83 Å²	83	83.9 Å²	83.9	69%	0.686	51%	0.509	S	S	*	.			trans	-57.7	103.1	159.1	0	0	0	0	0	105.2	N24 A28	N24-A26 PolarHBondContact O-N 3.13Å; A26-A28 PolarHBondContact O-N 3.35Å
27	N	57.5	Low	74.6	Confident	154 Å²	154	82.3 Å²	82.3	82%	0.824	50%	0.5	S	S	*	.			trans	-40.5	97.7	-174.6	-61.4	-73.9	0	0	0	110.5	S25 A29	S25-N27 VanDerWaalsContact C-N 3.31Å; S25-N27 PolarHBondContact O-N 3.31Å; N27-A29 PolarHBondContact O-N 2.72Å
28	A	63.5	Low	75.7	Confident	92 Å²	92	77.3 Å²	77.3	76%	0.76	47%	0.474	S	S	*	.			trans	-58.1	130.2	175.2	0	0	0	0	0	106.8	A26 D30	A26-A28 PolarHBondContact O-N 3.35Å; A28-D30 PolarHBondContact O-N 2.82Å
29	A	73.7	Confident	77	Confident	54 Å²	54	74.6 Å²	74.6	45%	0.446	46%	0.459	S	S	.	.			trans	-61.4	113.2	177.5	0	0	0	0	0	108.3	N27 S31 I60 K61 K62	N27-A29 PolarHBondContact O-N 2.72Å; A29-S31 PolarHBondContact O-N 3.25Å; A29-I60 HydrophobicContact CB-CG2 4.11Å; A29-K61 CarbonylContact C-O 3.55Å; A29-K61 WeakPolarHBondContact CA-O 3.34Å; A29-K61 WeakPolarHBondContact CB-O 3.38Å; A29-K62 HydrophobicContact CB-CB 4.15Å
30	D	85.9	Confident	78.3	Confident	78 Å²	78	74.8 Å²	74.8	42%	0.417	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.9	174.2	176.5	30.9	0	0	0	108.2	A28 I60 K61	A28-D30 PolarHBondContact O-N 2.82Å; D30-I60 CarbonylContact O-C 3.58Å; D30-K61 HydrophobicContact CB-CB 4.29Å; D30-K61 HydrophobicContact CB-CD 4.37Å; D30-K61 HydrophobicContact CB-CG 4.47Å; D30-K61 PolarHBondContact N-O 2.65Å; D30-K61 PolarHBondContact O-N 2.93Å; D30-K61 IonicContact OD2-NZ 2.65Å; D30-K61 PolarHBondContact OD2-NZ 3.15Å
31	S	93.3	Very high	79.9	Confident	76 Å²	76	76.2 Å²	76.2	53%	0.531	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.5	-176.1	64.1	0	0	0	0	110.8	A29 Y59	A29-S31 PolarHBondContact O-N 3.25Å; S31-Y59 WeakPolarHBondContact CA-O 3.36Å; S31-Y59 VanDerWaalsContact CB-O 3.27Å; S31-Y59 WeakPolarHBondContact CB-O 2.79Å
32	G	94.3	Very high	81.3	Confident	24 Å²	24	76.7 Å²	76.7	25%	0.247	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-175.9	-178	0	0	0	0	0	112.4	K58 Y59	G32-K58 CarbonylContact O-C 3.58Å; G32-K58 VanDerWaalsContact O-CA 3.31Å; G32-K58 WeakPolarHBondContact O-CA 3.26Å; G32-Y59 VanDerWaalsContact CA-CE1 3.45Å; G32-Y59 PolarHBondContact N-O 2.89Å; G32-Y59 VanDerWaalsContact N-O 3.1Å; G32-Y59 PolarHBondContact O-N 3.11Å
33	T	96.8	Very high	83	Confident	101 Å²	101	71.9 Å²	71.9	62%	0.62	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	146.1	174.2	50.2	0	0	0	0	110.2	P56	T33-P56 HydrophobicContact CG2-CG 4.16Å
34	L	96.6	Very high	84.8	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.5	178.6	179	61.5	0	0	0	109.4	A57 Y59 V68 L109 F142	L34-A57 HydrophobicContact CB-CB 4.1Å; L34-A57 PolarHBondContact N-O 3.37Å; L34-A57 PolarHBondContact O-N 3.4Å; L34-Y59 HydrophobicContact CB-CD1 4.34Å; L34-V68 HydrophobicContact CD2-CB 4.36Å; L34-V68 HydrophobicContact CD2-CG1 3.88Å; L34-V68 HydrophobicContact CD2-CG2 3.49Å; L34-V68 VanDerWaalsContact CD2-CG2 3.49Å; L34-L109 HydrophobicContact CD2-CD2 4.41Å; L34-F142 HydrophobicContact CD1-CB 4.26Å; L34-F142 HydrophobicContact CD2-CB 4.47Å; L34-F142 HydrophobicContact CD2-CD1 3.91Å; L34-F142 HydrophobicContact CD2-CD2 4.34Å; L34-F142 HydrophobicContact CD2-CE1 4.17Å; L34-F142 HydrophobicContact CD2-CG 4.02Å
35	N	97.9	Very high	86.7	Confident	102 Å²	102	70.9 Å²	70.9	55%	0.545	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.5	167.5	-68.5	-28.5	0	0	0	108.9	N143	N35-N143 HydrophobicContact CB-CB 4.18Å; N35-N143 WeakPolarHBondContact O-CA 3.46Å; N35-N143 WeakPolarHBondContact O-CB 3.49Å; N35-N143 PolarHBondContact O-N 2.89Å
36	Y	98.3	Very high	88.6	Confident	8 Å²	8	69.8 Å²	69.8	3%	0.031	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	166.7	177.5	73.2	-72.5	0	0	0	111.4	V38 F53 N54 K55 A57 I70 Y140 K141 F142	Y36-V38 HydrophobicContact CD2-CG2 4.33Å; Y36-V38 HydrophobicContact CE2-CG2 4Å; Y36-F53 HydrophobicContact CE2-CB 4.11Å; Y36-F53 HydrophobicContact CE2-CD1 4.15Å; Y36-F53 WeakPolarHBondContact OH-CB 3.49Å; Y36-N54 WeakPolarHBondContact CE1-O 3.4Å; Y36-N54 PolarHBondContact OH-O 2.8Å; Y36-K55 HydrophobicContact CD1-CD 3.51Å; Y36-K55 HydrophobicContact CD2-CD 4.4Å; Y36-K55 HydrophobicContact CE1-CD 3.17Å; Y36-K55 HydrophobicContact CE2-CD 4.16Å; Y36-K55 HydrophobicContact CG-CD 4.11Å; Y36-K55 WeakPolarHBondContact O-CD 3.35Å; Y36-K55 WeakPolarHBondContact O-CE 3.4Å; Y36-A57 HydrophobicContact CD1-CB 3.64Å; Y36-A57 HydrophobicContact CE1-CB 3.42Å; Y36-A57 VanDerWaalsContact CE1-CB 3.42Å; Y36-I70 HydrophobicContact CE2-CG1 4.47Å; Y36-Y140 HydrophobicContact CD2-CD1 4.33Å; Y36-Y140 HydrophobicContact CE2-CD1 4.42Å; Y36-K141 CarbonylContact C-O 3.58Å; Y36-K141 WeakPolarHBondContact CA-O 3.46Å; Y36-K141 WeakPolarHBondContact CB-O 3.11Å; Y36-F142 HydrophobicContact CD2-CE1 4.44Å; Y36-F142 HydrophobicContact CG-CD1 4.37Å; Y36-F142 HydrophobicContact CG-CE1 4.43Å
37	E	98.2	Very high	90.4	Very high	64 Å²	64	66.8 Å²	66.8	30%	0.299	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.6	168.9	-64.8	178.6	-92.9	0	0	109.5	Y39 K141	E37-Y39 HydrophobicContact CB-CD1 4Å; E37-Y39 HydrophobicContact CB-CE1 3.44Å; E37-Y39 VanDerWaalsContact CB-CE1 3.44Å; E37-Y39 HydrophobicContact CG-CE1 4.22Å; E37-Y39 PolarHBondContact OE1-OH 3.39Å; E37-K141 PolarHBondContact N-O 3.14Å; E37-K141 PolarHBondContact O-N 3.05Å
38	V	97.8	Very high	92	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.7	171.5	-176.6	0	0	0	0	108.4	Y36 S47 A49 N50 F53 I138 Y140	Y36-V38 HydrophobicContact CD2-CG2 4.33Å; Y36-V38 HydrophobicContact CE2-CG2 4Å; V38-S47 WeakPolarHBondContact O-CB 3.02Å; V38-S47 PolarHBondContact O-N 3.25Å; V38-A49 HydrophobicContact CG1-CB 4.27Å; V38-N50 HydrophobicContact CB-CB 4.05Å; V38-N50 PolarHBondContact N-OD1 3.41Å; V38-F53 HydrophobicContact CG2-CB 4Å; V38-F53 HydrophobicContact CG2-CD1 3.98Å; V38-F53 HydrophobicContact CG2-CD2 3.98Å; V38-F53 HydrophobicContact CG2-CE1 4.48Å; V38-F53 HydrophobicContact CG2-CE2 4.44Å; V38-F53 HydrophobicContact CG2-CG 3.71Å; V38-I138 HydrophobicContact CG1-CB 4.15Å; V38-I138 HydrophobicContact CG1-CD1 3.73Å; V38-I138 HydrophobicContact CG1-CG2 4.47Å; V38-Y140 HydrophobicContact CG2-CD1 4.18Å; V38-Y140 HydrophobicContact CG2-CE1 4.26Å
39	Y	97.2	Very high	93.4	Very high	28 Å²	28	60.6 Å²	60.6	11%	0.11	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	157.2	179	-64.9	-11.2	0	0	0	111.5	E37 D45 T139 K141	E37-Y39 HydrophobicContact CB-CD1 4Å; E37-Y39 HydrophobicContact CB-CE1 3.44Å; E37-Y39 VanDerWaalsContact CB-CE1 3.44Å; E37-Y39 HydrophobicContact CG-CE1 4.22Å; E37-Y39 PolarHBondContact OE1-OH 3.39Å; Y39-D45 CarbonylContact C-O 3.55Å; Y39-D45 WeakPolarHBondContact CA-O 3.49Å; Y39-D45 VanDerWaalsContact CB-O 3.31Å; Y39-D45 WeakPolarHBondContact CB-O 3.36Å; Y39-T139 PolarHBondContact N-O 2.99Å; Y39-T139 PolarHBondContact O-N 2.76Å; Y39-T139 VanDerWaalsContact O-N 3.1Å; Y39-K141 HydrophobicContact CD2-CB 3.96Å; Y39-K141 HydrophobicContact CE1-CB 4.32Å; Y39-K141 HydrophobicContact CE2-CB 3.52Å; Y39-K141 HydrophobicContact CE2-CD 4.4Å; Y39-K141 HydrophobicContact CE2-CG 3.79Å
40	K	94	Very high	94.5	Very high	100 Å²	100	59.3 Å²	59.3	44%	0.435	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142.4	165.5	-46.9	172.4	-168.6	156.6	0	107.9	N42 T43 D45	K40-N42 PolarHBondContact O-N 2.65Å; K40-T43 HydrophobicContact CB-CG2 4.24Å; K40-T43 WeakPolarHBondContact CB-OG1 3.47Å; K40-T43 PolarHBondContact O-N 2.84Å; K40-T43 VanDerWaalsContact O-N 3.09Å; K40-T43 PolarHBondContact O-OG1 2.85Å; K40-D45 HydrophobicContact CD-CB 3.9Å; K40-D45 HydrophobicContact CG-CB 4.22Å; K40-D45 PolarHBondContact N-O 3.39Å; K40-D45 IonicContact NZ-OD2 2.69Å; K40-D45 PolarHBondContact NZ-OD2 2.74Å
41	Y	96	Very high	94.9	Very high	81 Å²	81	60 Å²	60	32%	0.318	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	133	-176.9	-173.2	-123.5	0	0	0	112.2	T43 D114 N137	Y41-T43 WeakPolarHBondContact O-CG2 3.14Å; Y41-T43 PolarHBondContact O-N 2.84Å; Y41-T43 VanDerWaalsContact O-N 3.15Å; Y41-D114 HydrophobicContact CE2-CB 4.31Å; Y41-N137 WeakPolarHBondContact CB-O 3.41Å; Y41-N137 HydrophobicContact CD1-CB 3.76Å; Y41-N137 HydrophobicContact CD2-CB 3.7Å; Y41-N137 HydrophobicContact CE1-CB 4.19Å; Y41-N137 HydrophobicContact CE2-CB 4.17Å; Y41-N137 HydrophobicContact CG-CB 3.5Å; Y41-N137 VanDerWaalsContact CG-CB 3.5Å
42	N	90.6	Very high	95	Very high	105 Å²	105	57.6 Å²	57.6	56%	0.561	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	20.6	-179.9	-68	-20.1	0	0	0	116	K40 T139	K40-N42 PolarHBondContact O-N 2.65Å; N42-T139 PolarHBondContact N-OG1 2.75Å
43	T	92.9	Very high	95.2	Very high	45 Å²	45	56.7 Å²	56.7	28%	0.276	30%	0.297	S	S	.	.	S	Bend	trans	-121.4	-179.3	174.9	76.7	0	0	0	0	112.1	K40 Y41 D45 K112	K40-T43 HydrophobicContact CB-CG2 4.24Å; K40-T43 WeakPolarHBondContact CB-OG1 3.47Å; K40-T43 PolarHBondContact O-N 2.84Å; K40-T43 VanDerWaalsContact O-N 3.09Å; K40-T43 PolarHBondContact O-OG1 2.85Å; Y41-T43 WeakPolarHBondContact O-CG2 3.14Å; Y41-T43 PolarHBondContact O-N 2.84Å; Y41-T43 VanDerWaalsContact O-N 3.15Å; T43-D45 PolarHBondContact OG1-N 2.58Å; T43-K112 PolarHBondContact O-NZ 2.78Å
44	N	94.2	Very high	95.2	Very high	117 Å²	117	53.9 Å²	53.9	63%	0.626	28%	0.278	S	S	*	.	S	Bend	trans	-105.7	8.5	164.4	-68.3	-38.2	0	0	0	111.9	K112	N44-K112 WeakPolarHBondContact OD1-CE 3.4Å; N44-K112 PolarHBondContact OD1-NZ 3.45Å
45	D	93.3	Very high	95.3	Very high	84 Å²	84	58 Å²	58	45%	0.449	30%	0.296	S	S	.	.	S	Bend	trans	-85.1	133.2	-178	-67.8	-6.4	0	0	0	110.1	Y39 K40 T43 S47	Y39-D45 CarbonylContact C-O 3.55Å; Y39-D45 WeakPolarHBondContact CA-O 3.49Å; Y39-D45 VanDerWaalsContact CB-O 3.31Å; Y39-D45 WeakPolarHBondContact CB-O 3.36Å; K40-D45 HydrophobicContact CD-CB 3.9Å; K40-D45 HydrophobicContact CG-CB 4.22Å; K40-D45 PolarHBondContact N-O 3.39Å; K40-D45 IonicContact NZ-OD2 2.69Å; K40-D45 PolarHBondContact NZ-OD2 2.74Å; T43-D45 PolarHBondContact OG1-N 2.58Å; D45-S47 PolarHBondContact O-N 3.02Å
46	T	93.9	Very high	95.3	Very high	69 Å²	69	56.4 Å²	56.4	42%	0.423	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-56.3	129.6	168.8	-48.2	0	0	0	0	110.3	N50	T46-N50 HydrophobicContact CG2-CB 3.64Å
47	S	92.5	Very high	95.3	Very high	20 Å²	20	56.1 Å²	56.1	14%	0.14	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-77.4	147.9	174.1	-176.9	0	0	0	0	109.8	V38 D45 A49 N50	V38-S47 WeakPolarHBondContact O-CB 3.02Å; V38-S47 PolarHBondContact O-N 3.25Å; D45-S47 PolarHBondContact O-N 3.02Å; S47-A49 PolarHBondContact O-N 3.24Å; S47-A49 WeakPolarHBondContact OG-CB 3.3Å; S47-A49 PolarHBondContact OG-N 3.36Å; S47-A49 VanDerWaalsContact OG-N 3.08Å; S47-N50 WeakPolarHBondContact O-CB 3.45Å; S47-N50 PolarHBondContact O-N 2.86Å
48	I	90.9	Very high	95.3	Very high	103 Å²	103	59.2 Å²	59.2	53%	0.528	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-54.5	-31.8	165.6	-65.6	176	0	0	0	110.6	N50 N189	I48-N50 PolarHBondContact O-N 2.87Å; I48-N50 VanDerWaalsContact O-N 3.13Å; I48-N189 HydrophobicContact CG2-CB 3.67Å; I48-N189 WeakPolarHBondContact CG2-ND2 3.29Å
49	A	93.6	Very high	95.2	Very high	14 Å²	14	60.5 Å²	60.5	12%	0.116	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-57.5	-27.5	175.9	0	0	0	0	0	112.7	V38 S47 D51 Y52 F53 I117	V38-A49 HydrophobicContact CG1-CB 4.27Å; S47-A49 PolarHBondContact O-N 3.24Å; S47-A49 WeakPolarHBondContact OG-CB 3.3Å; S47-A49 PolarHBondContact OG-N 3.36Å; S47-A49 VanDerWaalsContact OG-N 3.08Å; A49-D51 PolarHBondContact O-N 3.24Å; A49-Y52 WeakPolarHBondContact O-CB 3.31Å; A49-Y52 PolarHBondContact O-N 2.88Å; A49-F53 HydrophobicContact CB-CE2 4.38Å; A49-F53 WeakPolarHBondContact O-CD2 3.37Å; A49-I117 HydrophobicContact CB-CD1 3.97Å
50	N	95.5	Very high	95.1	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.144	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-54.8	-31.7	-174	-177.9	67.5	0	0	0	114.1	V38 T46 S47 I48 Y52 F53 K55	V38-N50 HydrophobicContact CB-CB 4.05Å; V38-N50 PolarHBondContact N-OD1 3.41Å; T46-N50 HydrophobicContact CG2-CB 3.64Å; S47-N50 WeakPolarHBondContact O-CB 3.45Å; S47-N50 PolarHBondContact O-N 2.86Å; I48-N50 PolarHBondContact O-N 2.87Å; I48-N50 VanDerWaalsContact O-N 3.13Å; N50-Y52 PolarHBondContact O-N 2.91Å; N50-F53 PolarHBondContact O-N 2.73Å; N50-K55 PolarHBondContact O-NZ 3.07Å; N50-K55 PolarHBondContact OD1-NZ 2.83Å
51	D	94.9	Very high	95	Very high	92 Å²	92	57.8 Å²	57.8	49%	0.492	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-70.4	-22.4	-178.8	-64	-12.7	0	0	0	112.6	A49 F53 N73	A49-D51 PolarHBondContact O-N 3.24Å; D51-F53 VanDerWaalsContact C-N 3.29Å; D51-N73 PolarHBondContact O-ND2 3.01Å
52	Y	96	Very high	94.7	Very high	26 Å²	26	57 Å²	57	10%	0.102	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.7	-6	176.1	-59.1	-80.4	0	0	0	113.2	A49 N50 V72 N73 H74 W77 N189 P190	A49-Y52 WeakPolarHBondContact O-CB 3.31Å; A49-Y52 PolarHBondContact O-N 2.88Å; N50-Y52 PolarHBondContact O-N 2.91Å; Y52-V72 CarbonylContact O-C 3.51Å; Y52-V72 WeakPolarHBondContact O-CA 3.5Å; Y52-V72 WeakPolarHBondContact O-CB 3.42Å; Y52-N73 WeakPolarHBondContact CA-OD1 3.46Å; Y52-N73 PolarHBondContact O-N 2.9Å; Y52-N73 PolarHBondContact O-ND2 3.25Å; Y52-H74 HydrophobicContact CD1-CB 3.93Å; Y52-H74 AromaticContact CD1-ND1 3.92Å; Y52-H74 HydrophobicContact CE1-CB 4.19Å; Y52-W77 AromaticContact CE1-CE3 3.97Å; Y52-W77 HydrophobicContact CE1-CE3 3.97Å; Y52-W77 AromaticContact CE1-CZ3 3.98Å; Y52-W77 HydrophobicContact CE1-CZ3 3.98Å; Y52-N189 PolarHBondContact OH-ND2 2.8Å; Y52-N189 PolarHBondContact OH-OD1 3.37Å; Y52-P190 PolarHBondContact OH-O 3Å
53	F	97.6	Very high	94.6	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.018	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-107.8	105.9	-176.6	-80.1	-102	0	0	0	109.5	Y36 V38 A49 N50 D51 K55 I70 V72 I78 M81 I117 I138 Y140	Y36-F53 HydrophobicContact CE2-CB 4.11Å; Y36-F53 HydrophobicContact CE2-CD1 4.15Å; Y36-F53 WeakPolarHBondContact OH-CB 3.49Å; V38-F53 HydrophobicContact CG2-CB 4Å; V38-F53 HydrophobicContact CG2-CD1 3.98Å; V38-F53 HydrophobicContact CG2-CD2 3.98Å; V38-F53 HydrophobicContact CG2-CE1 4.48Å; V38-F53 HydrophobicContact CG2-CE2 4.44Å; V38-F53 HydrophobicContact CG2-CG 3.71Å; A49-F53 HydrophobicContact CB-CE2 4.38Å; A49-F53 WeakPolarHBondContact O-CD2 3.37Å; N50-F53 PolarHBondContact O-N 2.73Å; D51-F53 VanDerWaalsContact C-N 3.29Å; F53-K55 PolarHBondContact O-NZ 2.85Å; F53-I70 HydrophobicContact CD1-CG2 3.55Å; F53-I70 HydrophobicContact CE1-CG2 3.88Å; F53-V72 HydrophobicContact CD1-CG1 3.77Å; F53-V72 HydrophobicContact CD2-CG1 4.35Å; F53-V72 HydrophobicContact CE1-CG1 3.73Å; F53-V72 HydrophobicContact CE2-CG1 4.36Å; F53-V72 HydrophobicContact CG-CG1 4.09Å; F53-V72 HydrophobicContact CZ-CG1 4.06Å; F53-I78 HydrophobicContact CE2-CD1 4.46Å; F53-M81 HydrophobicContact CE1-SD 3.77Å; F53-M81 HydrophobicContact CZ-SD 3.84Å; F53-I117 HydrophobicContact CZ-CG2 3.93Å; F53-I138 HydrophobicContact CZ-CD1 4.27Å; F53-Y140 HydrophobicContact CD1-CE1 4.15Å; F53-Y140 AromaticContact CE1-CE1 3.69Å; F53-Y140 HydrophobicContact CE1-CE1 3.69Å; F53-Y140 HydrophobicContact CZ-CE1 4.38Å
54	N	97.9	Very high	94.3	Very high	43 Å²	43	58.3 Å²	58.3	23%	0.23	31%	0.309	C	S	.	.			trans	-64.2	146.1	-177.5	-69.1	0.1	0	0	0	111.4	Y36 T71 N73 E99	Y36-N54 WeakPolarHBondContact CE1-O 3.4Å; Y36-N54 PolarHBondContact OH-O 2.8Å; N54-T71 HydrophobicContact CB-CG2 4.28Å; N54-T71 WeakPolarHBondContact CB-O 3.49Å; N54-T71 PolarHBondContact N-O 2.77Å; N54-N73 PolarHBondContact OD1-ND2 2.85Å; N54-E99 PolarHBondContact ND2-OE1 3.38Å
55	K	97.6	Very high	94.2	Very high	85 Å²	85	56.9 Å²	56.9	37%	0.37	30%	0.298	S	S	.	.	S	Bend	trans	-121.6	149.5	-178.3	-55.3	-57.4	-171.4	-76.4	0	111.5	Y36 N50 F53	Y36-K55 HydrophobicContact CD1-CD 3.51Å; Y36-K55 HydrophobicContact CD2-CD 4.4Å; Y36-K55 HydrophobicContact CE1-CD 3.17Å; Y36-K55 HydrophobicContact CE2-CD 4.16Å; Y36-K55 HydrophobicContact CG-CD 4.11Å; Y36-K55 WeakPolarHBondContact O-CD 3.35Å; Y36-K55 WeakPolarHBondContact O-CE 3.4Å; N50-K55 PolarHBondContact O-NZ 3.07Å; N50-K55 PolarHBondContact OD1-NZ 2.83Å; F53-K55 PolarHBondContact O-NZ 2.85Å
56	P	98	Very high	94.3	Very high	69 Å²	69	53.5 Å²	53.5	45%	0.448	28%	0.279	S	S	.	.	S	Bend	cis	-72.5	164.8	-14.8	33.3	-35.7	0	0	0	111.5	T33	T33-P56 HydrophobicContact CG2-CG 4.16Å
57	A	98.1	Very high	94.4	Very high	3 Å²	3	52 Å²	52	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	177.9	163.6	0	0	0	0	0	110.1	L34 Y36 V68 Q69 I70	L34-A57 HydrophobicContact CB-CB 4.1Å; L34-A57 PolarHBondContact N-O 3.37Å; L34-A57 PolarHBondContact O-N 3.4Å; Y36-A57 HydrophobicContact CD1-CB 3.64Å; Y36-A57 HydrophobicContact CE1-CB 3.42Å; Y36-A57 VanDerWaalsContact CE1-CB 3.42Å; A57-V68 HydrophobicContact CB-CG1 4.24Å; A57-Q69 WeakPolarHBondContact CB-O 3.41Å; A57-I70 HydrophobicContact CB-CG1 4.11Å
58	K	97.8	Very high	94.7	Very high	128 Å²	128	51.1 Å²	51.1	56%	0.557	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	147.9	166.7	-59.8	179.1	179.8	179.9	0	110	G32 V68 Q69	G32-K58 CarbonylContact O-C 3.58Å; G32-K58 VanDerWaalsContact O-CA 3.31Å; G32-K58 WeakPolarHBondContact O-CA 3.26Å; K58-V68 CarbonylContact O-C 3.59Å; K58-V68 WeakPolarHBondContact O-CA 3.31Å; K58-Q69 HydrophobicContact CB-CB 4.26Å; K58-Q69 PolarHBondContact N-O 2.8Å; K58-Q69 PolarHBondContact O-N 2.91Å
59	Y	97.1	Very high	95.1	Very high	28 Å²	28	47.8 Å²	47.8	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.6	165.8	74.8	-98.5	0	0	0	110.5	S31 G32 L34 K61 Y67 L109 P145	S31-Y59 WeakPolarHBondContact CA-O 3.36Å; S31-Y59 VanDerWaalsContact CB-O 3.27Å; S31-Y59 WeakPolarHBondContact CB-O 2.79Å; G32-Y59 VanDerWaalsContact CA-CE1 3.45Å; G32-Y59 PolarHBondContact N-O 2.89Å; G32-Y59 VanDerWaalsContact N-O 3.1Å; G32-Y59 PolarHBondContact O-N 3.11Å; L34-Y59 HydrophobicContact CB-CD1 4.34Å; Y59-K61 HydrophobicContact CD2-CG 4.1Å; Y59-K61 HydrophobicContact CE2-CD 4.46Å; Y59-K61 HydrophobicContact CE2-CG 4.18Å; Y59-Y67 CarbonylContact C-O 3.52Å; Y59-Y67 VanDerWaalsContact CA-O 3.23Å; Y59-Y67 WeakPolarHBondContact CA-O 3.43Å; Y59-L109 HydrophobicContact CD1-CD1 4.21Å; Y59-L109 HydrophobicContact CD2-CD1 3.53Å; Y59-L109 HydrophobicContact CE2-CD1 4.18Å; Y59-L109 HydrophobicContact CG-CD1 3.57Å; Y59-L109 HydrophobicContact CG-CD2 4.36Å; Y59-P145 HydrophobicContact CE1-CG 4.17Å
60	I	95.2	Very high	95.3	Very high	29 Å²	29	47.1 Å²	47.1	15%	0.149	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.6	173.8	-57.4	177.8	0	0	0	108.2	A29 D30 K62 Y67 Q69	A29-I60 HydrophobicContact CB-CG2 4.11Å; D30-I60 CarbonylContact O-C 3.58Å; I60-K62 HydrophobicContact CG2-CB 4.31Å; I60-K62 HydrophobicContact CG2-CD 4.13Å; I60-K62 HydrophobicContact CG2-CG 4.22Å; I60-Y67 PolarHBondContact N-O 2.92Å; I60-Y67 PolarHBondContact O-N 2.75Å; I60-Q69 HydrophobicContact CD1-CG 4.38Å
61	K	91.5	Very high	95.5	Very high	41 Å²	41	47.4 Å²	47.4	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.7	169.9	-47.2	-172.7	-168.5	135.4	0	107.4	A29 D30 Y59 K65 L66 V148	A29-K61 CarbonylContact C-O 3.55Å; A29-K61 WeakPolarHBondContact CA-O 3.34Å; A29-K61 WeakPolarHBondContact CB-O 3.38Å; D30-K61 HydrophobicContact CB-CB 4.29Å; D30-K61 HydrophobicContact CB-CD 4.37Å; D30-K61 HydrophobicContact CB-CG 4.47Å; D30-K61 PolarHBondContact N-O 2.65Å; D30-K61 PolarHBondContact O-N 2.93Å; D30-K61 IonicContact OD2-NZ 2.65Å; D30-K61 PolarHBondContact OD2-NZ 3.15Å; Y59-K61 HydrophobicContact CD2-CG 4.1Å; Y59-K61 HydrophobicContact CE2-CD 4.46Å; Y59-K61 HydrophobicContact CE2-CG 4.18Å; K61-K65 WeakPolarHBondContact CA-O 3.15Å; K61-L66 HydrophobicContact CB-CD2 4.28Å; K61-L66 HydrophobicContact CD-CD2 3.9Å; K61-L66 HydrophobicContact CG-CD2 3.66Å; K61-V148 HydrophobicContact CD-CB 4.22Å; K61-V148 HydrophobicContact CD-CG1 4.34Å
62	K	90.2	Very high	95.6	Very high	66 Å²	66	43 Å²	43	29%	0.287	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.1	178.1	61.4	-173.9	177.1	-167.5	0	108.6	A29 I60 G64 K65 Y67 E103	A29-K62 HydrophobicContact CB-CB 4.15Å; I60-K62 HydrophobicContact CG2-CB 4.31Å; I60-K62 HydrophobicContact CG2-CD 4.13Å; I60-K62 HydrophobicContact CG2-CG 4.22Å; K62-G64 VanDerWaalsContact C-N 3.29Å; K62-G64 PolarHBondContact O-N 3.09Å; K62-K65 PolarHBondContact N-O 3.36Å; K62-K65 VanDerWaalsContact N-O 3.11Å; K62-K65 PolarHBondContact O-N 3.46Å; K62-Y67 HydrophobicContact CD-CD2 4.15Å; K62-Y67 HydrophobicContact CD-CE2 4Å; K62-Y67 VanDerWaalsContact CE-CD2 3.43Å; K62-Y67 HydrophobicContact CG-CD2 3.68Å; K62-Y67 HydrophobicContact CG-CE2 3.42Å; K62-Y67 VanDerWaalsContact CG-CE2 3.42Å; K62-E103 IonicContact NZ-OE1 3.37Å; K62-E103 PolarHBondContact NZ-OE1 3.25Å; K62-E103 IonicContact NZ-OE2 2.85Å
63	N	87.6	Confident	95.6	Very high	143 Å²	143	42.9 Å²	42.9	77%	0.765	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	38.3	172.6	-52.4	14.4	0	0	0	113.7	K65	N63-K65 PolarHBondContact O-N 3.39Å
64	G	86.6	Confident	95.5	Very high	33 Å²	33	44.6 Å²	44.6	34%	0.34	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	2.2	-179	0	0	0	0	0	115.1	K62	K62-G64 VanDerWaalsContact C-N 3.29Å; K62-G64 PolarHBondContact O-N 3.09Å
65	K	92.8	Very high	95.5	Very high	88 Å²	88	43.5 Å²	43.5	38%	0.383	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.9	177.9	-69.9	170.5	170.7	-90.6	0	111.1	K61 K62 N63 Y67 E105	K61-K65 WeakPolarHBondContact CA-O 3.15Å; K62-K65 PolarHBondContact N-O 3.36Å; K62-K65 VanDerWaalsContact N-O 3.11Å; K62-K65 PolarHBondContact O-N 3.46Å; N63-K65 PolarHBondContact O-N 3.39Å; K65-Y67 HydrophobicContact CB-CD2 4.35Å; K65-Y67 HydrophobicContact CB-CE2 3.51Å; K65-Y67 HydrophobicContact CD-CE2 4.49Å; K65-Y67 VanDerWaalsContact CD-OH 3.26Å; K65-Y67 WeakPolarHBondContact CD-OH 3.41Å; K65-E105 IonicContact NZ-OE1 3.94Å; K65-E105 PolarHBondContact NZ-OE1 2.89Å; K65-E105 IonicContact NZ-OE2 3.88Å; K65-E105 PolarHBondContact NZ-OE2 2.91Å
66	L	95.3	Very high	95.4	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.1	176.7	-54.9	171.6	0	0	0	109	K61 E105 V106 L109	K61-L66 HydrophobicContact CB-CD2 4.28Å; K61-L66 HydrophobicContact CD-CD2 3.9Å; K61-L66 HydrophobicContact CG-CD2 3.66Å; L66-E105 WeakPolarHBondContact O-CA 3.33Å; L66-V106 HydrophobicContact CB-CG2 4.04Å; L66-V106 WeakPolarHBondContact CB-O 3.35Å; L66-V106 PolarHBondContact O-N 3.06Å; L66-L109 HydrophobicContact CD1-CG 4.27Å; L66-L109 HydrophobicContact CD2-CD1 4.24Å; L66-L109 HydrophobicContact CD2-CG 4.46Å
67	Y	96.7	Very high	95.4	Very high	39 Å²	39	41 Å²	41	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.1	177.8	-61.4	-92.5	0	0	0	110.1	Y59 I60 K62 K65 E103 F104 E105	Y59-Y67 CarbonylContact C-O 3.52Å; Y59-Y67 VanDerWaalsContact CA-O 3.23Å; Y59-Y67 WeakPolarHBondContact CA-O 3.43Å; I60-Y67 PolarHBondContact N-O 2.92Å; I60-Y67 PolarHBondContact O-N 2.75Å; K62-Y67 HydrophobicContact CD-CD2 4.15Å; K62-Y67 HydrophobicContact CD-CE2 4Å; K62-Y67 VanDerWaalsContact CE-CD2 3.43Å; K62-Y67 HydrophobicContact CG-CD2 3.68Å; K62-Y67 HydrophobicContact CG-CE2 3.42Å; K62-Y67 VanDerWaalsContact CG-CE2 3.42Å; K65-Y67 HydrophobicContact CB-CD2 4.35Å; K65-Y67 HydrophobicContact CB-CE2 3.51Å; K65-Y67 HydrophobicContact CD-CE2 4.49Å; K65-Y67 VanDerWaalsContact CD-OH 3.26Å; K65-Y67 WeakPolarHBondContact CD-OH 3.41Å; Y67-E103 HydrophobicContact CD1-CG 3.99Å; Y67-E103 HydrophobicContact CG-CG 4.39Å; Y67-F104 CarbonylContact C-O 3.56Å; Y67-F104 WeakPolarHBondContact CA-O 3.45Å; Y67-E105 HydrophobicContact CD1-CB 4.07Å; Y67-E105 HydrophobicContact CE1-CB 3.85Å; Y67-E105 HydrophobicContact CE1-CG 4.19Å
68	V	98	Very high	95.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.3	173.4	169.7	0	0	0	0	109	L34 A57 K58 I70 E103 F104 V106 L109 F142	L34-V68 HydrophobicContact CD2-CB 4.36Å; L34-V68 HydrophobicContact CD2-CG1 3.88Å; L34-V68 HydrophobicContact CD2-CG2 3.49Å; L34-V68 VanDerWaalsContact CD2-CG2 3.49Å; A57-V68 HydrophobicContact CB-CG1 4.24Å; K58-V68 CarbonylContact O-C 3.59Å; K58-V68 WeakPolarHBondContact O-CA 3.31Å; V68-I70 HydrophobicContact CG1-CD1 3.75Å; V68-I70 HydrophobicContact CG1-CG1 3.71Å; V68-E103 CarbonylContact O-C 3.55Å; V68-E103 WeakPolarHBondContact O-CA 3.22Å; V68-F104 PolarHBondContact N-O 2.95Å; V68-F104 PolarHBondContact O-N 2.88Å; V68-V106 HydrophobicContact CB-CG1 4.23Å; V68-V106 HydrophobicContact CB-CG2 4.48Å; V68-V106 HydrophobicContact CG2-CG1 4.19Å; V68-V106 HydrophobicContact CG2-CG2 3.69Å; V68-L109 HydrophobicContact CG2-CD2 3.65Å; V68-F142 HydrophobicContact CB-CZ 4.42Å; V68-F142 HydrophobicContact CG1-CE1 4.44Å; V68-F142 HydrophobicContact CG1-CZ 4.1Å; V68-F142 HydrophobicContact CG2-CE2 4.06Å; V68-F142 HydrophobicContact CG2-CZ 4.21Å
69	Q	98.4	Very high	95.3	Very high	33 Å²	33	38.8 Å²	38.8	15%	0.154	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.5	173.3	-59.4	-177.4	-13.1	0	0	108.8	A57 K58 I60 I91 T101 S102 E103	A57-Q69 WeakPolarHBondContact CB-O 3.41Å; K58-Q69 HydrophobicContact CB-CB 4.26Å; K58-Q69 PolarHBondContact N-O 2.8Å; K58-Q69 PolarHBondContact O-N 2.91Å; I60-Q69 HydrophobicContact CD1-CG 4.38Å; Q69-I91 HydrophobicContact CB-CD1 4.17Å; Q69-I91 HydrophobicContact CG-CD1 3.72Å; Q69-I91 VanDerWaalsContact NE2-CD1 3.31Å; Q69-T101 HydrophobicContact CB-CG2 4.03Å; Q69-S102 CarbonylContact C-O 3.52Å; Q69-S102 VanDerWaalsContact CA-O 3.32Å; Q69-S102 WeakPolarHBondContact CA-O 3.27Å; Q69-E103 HydrophobicContact CG-CB 4.17Å; Q69-E103 HydrophobicContact CG-CG 4.17Å; Q69-E103 PolarHBondContact NE2-OE2 3.09Å
70	I	98.7	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.2	-179.4	-77.7	155.4	0	0	0	108.7	Y36 F53 A57 V68 V72 I83 T101 S102 F104 Y140	Y36-I70 HydrophobicContact CE2-CG1 4.47Å; F53-I70 HydrophobicContact CD1-CG2 3.55Å; F53-I70 HydrophobicContact CE1-CG2 3.88Å; A57-I70 HydrophobicContact CB-CG1 4.11Å; V68-I70 HydrophobicContact CG1-CD1 3.75Å; V68-I70 HydrophobicContact CG1-CG1 3.71Å; I70-V72 HydrophobicContact CG2-CG1 4.19Å; I70-I83 HydrophobicContact CD1-CD1 3.6Å; I70-T101 WeakPolarHBondContact O-CA 3.23Å; I70-S102 PolarHBondContact N-O 2.87Å; I70-S102 PolarHBondContact O-N 2.84Å; I70-F104 HydrophobicContact CB-CE2 4.42Å; I70-F104 HydrophobicContact CD1-CD2 4.44Å; I70-F104 HydrophobicContact CD1-CE2 4.49Å; I70-Y140 HydrophobicContact CD1-CD1 4.22Å; I70-Y140 HydrophobicContact CD1-CE1 3.97Å
71	T	98.5	Very high	95.5	Very high	34 Å²	34	36.7 Å²	36.7	21%	0.209	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.1	171.3	-54.2	0	0	0	0	109.1	N54 E99 R100 T101	N54-T71 HydrophobicContact CB-CG2 4.28Å; N54-T71 WeakPolarHBondContact CB-O 3.49Å; N54-T71 PolarHBondContact N-O 2.77Å; T71-E99 HydrophobicContact CG2-CB 4.25Å; T71-R100 CarbonylContact C-O 3.5Å; T71-R100 VanDerWaalsContact CA-O 3.25Å; T71-R100 WeakPolarHBondContact CA-O 3.22Å; T71-T101 PolarHBondContact OG1-OG1 3.08Å
72	V	98.2	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.4	170.6	-63	0	0	0	0	110.4	Y52 F53 I70 I78 M81 E99 R100	Y52-V72 CarbonylContact O-C 3.51Å; Y52-V72 WeakPolarHBondContact O-CA 3.5Å; Y52-V72 WeakPolarHBondContact O-CB 3.42Å; F53-V72 HydrophobicContact CD1-CG1 3.77Å; F53-V72 HydrophobicContact CD2-CG1 4.35Å; F53-V72 HydrophobicContact CE1-CG1 3.73Å; F53-V72 HydrophobicContact CE2-CG1 4.36Å; F53-V72 HydrophobicContact CG-CG1 4.09Å; F53-V72 HydrophobicContact CZ-CG1 4.06Å; I70-V72 HydrophobicContact CG2-CG1 4.19Å; V72-I78 HydrophobicContact CB-CD1 3.92Å; V72-I78 HydrophobicContact CG1-CD1 4.09Å; V72-I78 HydrophobicContact CG2-CD1 4.24Å; V72-M81 HydrophobicContact CG1-CE 3.96Å; V72-M81 HydrophobicContact CG1-SD 3.68Å; V72-M81 HydrophobicContact CG2-CE 4.15Å; V72-E99 WeakPolarHBondContact O-CA 3.46Å; V72-E99 WeakPolarHBondContact O-CB 3.44Å; V72-R100 HydrophobicContact CG2-CG 3.59Å; V72-R100 PolarHBondContact N-O 2.63Å; V72-R100 PolarHBondContact O-N 2.76Å; V72-R100 VanDerWaalsContact O-N 3.08Å
73	N	96.5	Very high	96.1	Very high	22 Å²	22	32.7 Å²	32.7	12%	0.118	18%	0.179	C	C	.	.	S	Bend	trans	-95.9	172.5	166.5	66.7	64.2	0	0	0	109.8	D51 Y52 N54 S75 D98 E99	D51-N73 PolarHBondContact O-ND2 3.01Å; Y52-N73 WeakPolarHBondContact CA-OD1 3.46Å; Y52-N73 PolarHBondContact O-N 2.9Å; Y52-N73 PolarHBondContact O-ND2 3.25Å; N54-N73 PolarHBondContact OD1-ND2 2.85Å; N73-S75 PolarHBondContact O-N 2.87Å; N73-D98 CarbonylContact C-O 3.54Å; N73-E99 HydrophobicContact CB-CG 4.23Å
74	H	95.7	Very high	96.5	Very high	40 Å²	40	29.2 Å²	29.2	19%	0.185	16%	0.158	C	C	.	.	S	Bend	trans	50.5	42	-170.9	-62.5	76.9	0	0	0	111.1	Y52 H76 W77 D98 T192	Y52-H74 HydrophobicContact CD1-CB 3.93Å; Y52-H74 AromaticContact CD1-ND1 3.92Å; Y52-H74 HydrophobicContact CE1-CB 4.19Å; H74-H76 PolarHBondContact O-N 2.82Å; H74-H76 VanDerWaalsContact O-N 3.09Å; H74-W77 HydrophobicContact CB-CB 4.47Å; H74-W77 HydrophobicContact CB-CD2 4.07Å; H74-W77 HydrophobicContact CB-CE3 3.89Å; H74-W77 HydrophobicContact CB-CG 4.33Å; H74-W77 WeakPolarHBondContact O-CB 3.41Å; H74-W77 PolarHBondContact O-N 3.03Å; H74-D98 WeakPolarHBondContact CA-OD2 3.13Å; H74-D98 PolarHBondContact N-O 3.35Å; H74-T192 PolarHBondContact CE1-OG1 3.4Å; H74-T192 WeakPolarHBondContact NE2-CB 3.28Å; H74-T192 WeakPolarHBondContact NE2-CG2 3.46Å; H74-T192 PolarHBondContact NE2-OG1 3.09Å
75	S	96.7	Very high	96.8	Very high	20 Å²	20	31 Å²	31	14%	0.14	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.4	-166	175.3	0	0	0	0	112.8	N73 W77 I78 D98 R100	N73-S75 PolarHBondContact O-N 2.87Å; S75-W77 VanDerWaalsContact C-N 3.28Å; S75-I78 VanDerWaalsContact O-O 3.12Å; S75-D98 WeakPolarHBondContact CB-O 3.49Å; S75-D98 PolarHBondContact N-O 2.99Å; S75-D98 PolarHBondContact N-OD1 2.9Å; S75-D98 VanDerWaalsContact N-OD1 3.1Å; S75-R100 WeakPolarHBondContact OG-CB 3.38Å; S75-R100 WeakPolarHBondContact OG-CD 3.39Å; S75-R100 WeakPolarHBondContact OG-CG 3.2Å
76	H	96.4	Very high	96.9	Very high	91 Å²	91	31 Å²	31	42%	0.421	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.1	177.9	70.3	-68.3	0	0	0	113.6	H74 D98 E123	H74-H76 PolarHBondContact O-N 2.82Å; H74-H76 VanDerWaalsContact O-N 3.09Å; H76-D98 IonicContact CE1-OD2 3.93Å; H76-D98 PolarHBondContact CE1-OD2 3.05Å; H76-D98 IonicContact CG-OD1 3.82Å; H76-D98 IonicContact CG-OD2 3.09Å; H76-D98 PolarHBondContact N-OD1 3.1Å; H76-D98 VanDerWaalsContact N-OD1 3.13Å; H76-D98 IonicContact ND1-OD1 2.87Å; H76-D98 PolarHBondContact ND1-OD1 3.49Å; H76-D98 VanDerWaalsContact ND1-OD1 3.09Å; H76-D98 IonicContact ND1-OD2 3.4Å; H76-D98 PolarHBondContact ND1-OD2 2.76Å; H76-E123 IonicContact CD2-OE2 3.85Å; H76-E123 IonicContact NE2-OE1 2.63Å; H76-E123 PolarHBondContact NE2-OE1 2.63Å; H76-E123 IonicContact NE2-OE2 2.86Å; H76-E123 PolarHBondContact NE2-OE2 3.24Å
77	W	97.2	Very high	97	Very high	10 Å²	10	38.8 Å²	38.8	4%	0.038	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-36.1	174.6	-66.8	-4.5	0	0	0	112.3	Y52 H74 S75 T79 V119 Y120 I121 E123 V125 P190 T192	Y52-W77 AromaticContact CE1-CE3 3.97Å; Y52-W77 HydrophobicContact CE1-CE3 3.97Å; Y52-W77 AromaticContact CE1-CZ3 3.98Å; Y52-W77 HydrophobicContact CE1-CZ3 3.98Å; H74-W77 HydrophobicContact CB-CB 4.47Å; H74-W77 HydrophobicContact CB-CD2 4.07Å; H74-W77 HydrophobicContact CB-CE3 3.89Å; H74-W77 HydrophobicContact CB-CG 4.33Å; H74-W77 WeakPolarHBondContact O-CB 3.41Å; H74-W77 PolarHBondContact O-N 3.03Å; S75-W77 VanDerWaalsContact C-N 3.28Å; W77-T79 PolarHBondContact O-N 2.82Å; W77-V119 CarbonylContact O-C 3.57Å; W77-V119 VanDerWaalsContact O-CA 3.3Å; W77-V119 WeakPolarHBondContact O-CA 3.27Å; W77-Y120 PolarHBondContact O-N 3.31Å; W77-I121 HydrophobicContact CB-CD1 4.14Å; W77-I121 HydrophobicContact CB-CG1 3.9Å; W77-I121 HydrophobicContact CD2-CD1 3.55Å; W77-I121 HydrophobicContact CD2-CG1 3.94Å; W77-I121 HydrophobicContact CE3-CD1 3.7Å; W77-I121 HydrophobicContact CG-CD1 3.78Å; W77-I121 HydrophobicContact CG-CG1 3.64Å; W77-I121 HydrophobicContact CZ2-CG2 4.48Å; W77-I121 HydrophobicContact CZ3-CD1 4.23Å; W77-E123 WeakPolarHBondContact CZ2-OE1 3.3Å; W77-E123 PolarHBondContact NE1-OE1 3.18Å; W77-V125 HydrophobicContact CH2-CG1 4.46Å; W77-V125 HydrophobicContact CH2-CG2 4.45Å; W77-V125 HydrophobicContact CZ2-CG2 4.02Å; W77-P190 HydrophobicContact CH2-CB 4.46Å; W77-P190 HydrophobicContact CH2-CG 4.03Å; W77-P190 HydrophobicContact CZ3-CG 4.08Å; W77-T192 HydrophobicContact CH2-CG2 3.32Å; W77-T192 HydrophobicContact CZ2-CG2 4.16Å; W77-T192 HydrophobicContact CZ3-CG2 3.87Å
78	I	97	Very high	97	Very high	8 Å²	8	38 Å²	38	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	95.8	179.4	-55.9	172.5	0	0	0	108.7	F53 V72 S75 M81 R100 D118	F53-I78 HydrophobicContact CE2-CD1 4.46Å; V72-I78 HydrophobicContact CB-CD1 3.92Å; V72-I78 HydrophobicContact CG1-CD1 4.09Å; V72-I78 HydrophobicContact CG2-CD1 4.24Å; S75-I78 VanDerWaalsContact O-O 3.12Å; I78-M81 HydrophobicContact CG2-CG 3.7Å; I78-M81 HydrophobicContact CG2-SD 4.17Å; I78-R100 PolarHBondContact O-NH2 3.17Å; I78-D118 CarbonylContact C-O 3.48Å; I78-D118 WeakPolarHBondContact CA-O 3.14Å
79	T	96.8	Very high	97	Very high	77 Å²	77	42.4 Å²	42.4	47%	0.472	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-22.3	-173.1	56.4	0	0	0	0	113.8	W77 D118	W77-T79 PolarHBondContact O-N 2.82Å; T79-D118 PolarHBondContact N-O 3.13Å; T79-D118 WeakPolarHBondContact OG1-CB 3.13Å; T79-D118 PolarHBondContact OG1-O 2.9Å
80	G	97.2	Very high	97	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	144.8	-178.1	0	0	0	0	0	112.4	I117 D118	G80-I117 WeakPolarHBondContact O-CA 3.2Å; G80-D118 PolarHBondContact N-O 3.17Å; G80-D118 PolarHBondContact O-N 2.82Å
81	M	98.5	Very high	97	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.025	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146	170.9	-62.7	-170.8	-70.2	0	0	110.8	F53 V72 I78 E88 F104 K116 I117	F53-M81 HydrophobicContact CE1-SD 3.77Å; F53-M81 HydrophobicContact CZ-SD 3.84Å; V72-M81 HydrophobicContact CG1-CE 3.96Å; V72-M81 HydrophobicContact CG1-SD 3.68Å; V72-M81 HydrophobicContact CG2-CE 4.15Å; I78-M81 HydrophobicContact CG2-CG 3.7Å; I78-M81 HydrophobicContact CG2-SD 4.17Å; M81-E88 HydrophobicContact CB-CB 4.36Å; M81-E88 VanDerWaalsContact CE-OE2 3.23Å; M81-E88 WeakPolarHBondContact CE-OE2 3.15Å; M81-E88 PolarHBondContact N-OE1 2.86Å; M81-E88 VanDerWaalsContact N-OE1 3.16Å; M81-E88 WeakPolarHBondContact O-CB 3.46Å; M81-E88 PolarHBondContact O-N 2.76Å; M81-F104 HydrophobicContact CB-CE1 4.21Å; M81-F104 HydrophobicContact CB-CZ 3.77Å; M81-F104 HydrophobicContact CE-CE2 4.49Å; M81-F104 HydrophobicContact CE-CZ 4.16Å; M81-K116 CarbonylContact C-O 3.57Å; M81-K116 WeakPolarHBondContact CA-O 3.25Å; M81-I117 HydrophobicContact CG-CG2 4.18Å
82	S	98.1	Very high	96.9	Very high	24 Å²	24	48.2 Å²	48.2	17%	0.168	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.6	168.3	63.8	0	0	0	0	111.5	H86 G115 K116	S82-H86 CarbonylContact C-O 3.51Å; S82-H86 WeakPolarHBondContact CA-O 3.36Å; S82-H86 VanDerWaalsContact CB-O 3.29Å; S82-H86 WeakPolarHBondContact CB-O 3.05Å; S82-G115 CarbonylContact O-C 3.56Å; S82-G115 WeakPolarHBondContact O-CA 3.21Å; S82-K116 PolarHBondContact N-O 2.85Å; S82-K116 PolarHBondContact O-N 2.93Å; S82-K116 WeakPolarHBondContact OG-CB 3.46Å
83	I	98.2	Very high	96.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.3	176.9	-56.5	-170.5	0	0	0	107.2	I70 G85 H86 F104 V106 I113 Y140	I70-I83 HydrophobicContact CD1-CD1 3.6Å; I83-G85 PolarHBondContact O-N 2.8Å; I83-G85 VanDerWaalsContact O-N 3.09Å; I83-H86 PolarHBondContact N-O 3Å; I83-H86 WeakPolarHBondContact O-CB 3.48Å; I83-H86 PolarHBondContact O-N 2.86Å; I83-F104 HydrophobicContact CB-CB 4.23Å; I83-F104 HydrophobicContact CB-CD1 3.88Å; I83-F104 HydrophobicContact CB-CE1 4.49Å; I83-F104 HydrophobicContact CB-CG 4.15Å; I83-F104 HydrophobicContact CD1-CB 4.11Å; I83-F104 HydrophobicContact CD1-CD1 4Å; I83-F104 HydrophobicContact CD1-CD2 3.71Å; I83-F104 HydrophobicContact CD1-CE1 4.3Å; I83-F104 HydrophobicContact CD1-CE2 4.06Å; I83-F104 HydrophobicContact CD1-CG 3.67Å; I83-F104 HydrophobicContact CD1-CZ 4.33Å; I83-F104 HydrophobicContact CG1-CB 4.37Å; I83-F104 HydrophobicContact CG1-CD1 3.63Å; I83-F104 HydrophobicContact CG1-CD2 4.27Å; I83-F104 HydrophobicContact CG1-CE1 3.85Å; I83-F104 HydrophobicContact CG1-CE2 4.49Å; I83-F104 HydrophobicContact CG1-CG 3.84Å; I83-F104 HydrophobicContact CG1-CZ 4.28Å; I83-V106 HydrophobicContact CG2-CG1 3.97Å; I83-I113 HydrophobicContact CG2-CG2 3.5Å; I83-I113 VanDerWaalsContact CG2-CG2 3.5Å; I83-Y140 HydrophobicContact CD1-CD1 4.46Å; I83-Y140 HydrophobicContact CD1-CD2 4.07Å; I83-Y140 HydrophobicContact CD1-CE1 4.12Å; I83-Y140 HydrophobicContact CD1-CE2 3.7Å; I83-Y140 HydrophobicContact CD1-CG 4.43Å; I83-Y140 HydrophobicContact CG1-CD2 4.14Å; I83-Y140 HydrophobicContact CG1-CE2 3.54Å; I83-Y140 HydrophobicContact CG2-CD2 4.42Å
84	E	94.8	Very high	96.9	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	30.6	-176.3	-59.9	-177.6	140	0	0	114	H86 V106 S107 I113 D114	E84-H86 PolarHBondContact O-N 2.85Å; E84-V106 WeakPolarHBondContact OE2-CA 3.45Å; E84-S107 WeakPolarHBondContact OE1-CB 3.2Å; E84-S107 PolarHBondContact OE1-OG 3.1Å; E84-S107 WeakPolarHBondContact OE2-CB 3.44Å; E84-S107 PolarHBondContact OE2-N 3.16Å; E84-S107 PolarHBondContact OE2-OG 3.11Å; E84-I113 HydrophobicContact CG-CG2 3.27Å; E84-D114 PolarHBondContact N-O 3.03Å
85	G	92.7	Very high	96.9	Very high	71 Å²	71	61.7 Å²	61.7	73%	0.732	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-5.4	-176.6	0	0	0	0	0	114.6	I83 K87	I83-G85 PolarHBondContact O-N 2.8Å; I83-G85 VanDerWaalsContact O-N 3.09Å; G85-K87 PolarHBondContact O-N 2.88Å
86	H	95	Very high	96.7	Very high	89 Å²	89	65.2 Å²	65.2	41%	0.412	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.7	171.2	-57.9	-65.8	0	0	0	110	S82 I83 E84	S82-H86 CarbonylContact C-O 3.51Å; S82-H86 WeakPolarHBondContact CA-O 3.36Å; S82-H86 VanDerWaalsContact CB-O 3.29Å; S82-H86 WeakPolarHBondContact CB-O 3.05Å; I83-H86 PolarHBondContact N-O 3Å; I83-H86 WeakPolarHBondContact O-CB 3.48Å; I83-H86 PolarHBondContact O-N 2.86Å; E84-H86 PolarHBondContact O-N 2.85Å
87	K	97.4	Very high	96.7	Very high	174 Å²	174	64 Å²	64	76%	0.757	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	145	171.2	-173.9	173.5	-179.3	174.6	0	109.9	G85	G85-K87 PolarHBondContact O-N 2.88Å
88	E	97.6	Very high	96.6	Very high	22 Å²	22	65.5 Å²	65.5	10%	0.103	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-55.7	139.9	176.9	66.1	-178.9	148	0	0	114.2	M81 I90 R100 S102 F104	M81-E88 HydrophobicContact CB-CB 4.36Å; M81-E88 VanDerWaalsContact CE-OE2 3.23Å; M81-E88 WeakPolarHBondContact CE-OE2 3.15Å; M81-E88 PolarHBondContact N-OE1 2.86Å; M81-E88 VanDerWaalsContact N-OE1 3.16Å; M81-E88 WeakPolarHBondContact O-CB 3.46Å; M81-E88 PolarHBondContact O-N 2.76Å; E88-I90 HydrophobicContact CG-CG1 4.44Å; E88-R100 IonicContact OE1-CZ 3.69Å; E88-R100 IonicContact OE1-NH1 3.15Å; E88-R100 PolarHBondContact OE1-NH1 2.94Å; E88-R100 IonicContact OE1-NH2 2.68Å; E88-R100 PolarHBondContact OE1-NH2 3.18Å; E88-R100 IonicContact OE2-CZ 2.79Å; E88-R100 IonicContact OE2-NE 3.16Å; E88-R100 IonicContact OE2-NH1 3.65Å; E88-R100 PolarHBondContact OE2-NH1 2.96Å; E88-R100 IonicContact OE2-NH2 3.62Å; E88-R100 PolarHBondContact OE2-NH2 3.39Å; E88-S102 WeakPolarHBondContact OE2-CB 3.23Å; E88-S102 PolarHBondContact OE2-OG 2.78Å; E88-F104 HydrophobicContact CB-CD1 4.33Å; E88-F104 HydrophobicContact CB-CE1 3.37Å; E88-F104 HydrophobicContact CB-CE2 4.32Å; E88-F104 HydrophobicContact CB-CZ 3.37Å
89	N	98	Very high	96.7	Very high	94 Å²	94	67.2 Å²	67.2	50%	0.503	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.9	165	178	33.3	0	0	0	109.4	I91 S102 E103	N89-I91 PolarHBondContact O-N 2.79Å; N89-S102 CarbonylContact O-C 3.6Å; N89-S102 WeakPolarHBondContact O-CA 3.35Å; N89-E103 WeakPolarHBondContact CB-O 3.48Å; N89-E103 PolarHBondContact N-O 2.7Å; N89-E103 PolarHBondContact O-N 3.21Å
90	I	98.1	Very high	96.8	Very high	64 Å²	64	64.2 Å²	64.2	33%	0.328	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	114.4	-177.5	-55.6	171.9	0	0	0	109.6	E88 K93	E88-I90 HydrophobicContact CG-CG1 4.44Å; I90-K93 HydrophobicContact CG2-CD 4.42Å; I90-K93 HydrophobicContact CG2-CG 3.83Å
91	I	97.8	Very high	96.8	Very high	69 Å²	69	64.8 Å²	64.8	35%	0.354	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-21.4	-178.1	61.3	167.2	0	0	0	113.2	Q69 N89 T101 E103	Q69-I91 HydrophobicContact CB-CD1 4.17Å; Q69-I91 HydrophobicContact CG-CD1 3.72Å; Q69-I91 VanDerWaalsContact NE2-CD1 3.31Å; N89-I91 PolarHBondContact O-N 2.79Å; I91-T101 HydrophobicContact CD1-CG2 3.83Å; I91-T101 HydrophobicContact CG1-CG2 3.93Å; I91-T101 VanDerWaalsContact CG1-O 3.27Å; I91-T101 WeakPolarHBondContact CG1-O 3.32Å; I91-T101 PolarHBondContact N-O 2.9Å; I91-E103 HydrophobicContact CD1-CB 4.47Å; I91-E103 HydrophobicContact CG2-CB 3.72Å
92	S	97.9	Very high	96.8	Very high	56 Å²	56	64.6 Å²	64.6	39%	0.392	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	151.7	174.1	73.1	0	0	0	0	112.1	R100 T101	S92-R100 WeakPolarHBondContact O-CA 3.49Å; S92-T101 PolarHBondContact N-O 2.83Å; S92-T101 PolarHBondContact O-N 2.89Å; S92-T101 WeakPolarHBondContact OG-CB 3.33Å; S92-T101 PolarHBondContact OG-OG1 3.02Å; S92-T101 VanDerWaalsContact OG-OG1 3.13Å
93	K	97.7	Very high	96.9	Very high	154 Å²	154	64.4 Å²	64.4	67%	0.67	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.5	173.1	-65.6	-175.2	-179.9	-177.2	0	109.3	I90 R100	I90-K93 HydrophobicContact CG2-CD 4.42Å; I90-K93 HydrophobicContact CG2-CG 3.83Å; K93-R100 HydrophobicContact CG-CB 4.23Å
94	N	97.1	Very high	96.9	Very high	58 Å²	58	64.5 Å²	64.5	31%	0.31	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	91	173.6	-172.8	-22.7	0	0	0	109.3	A96 K97 D98 E99	N94-A96 VanDerWaalsContact C-N 3.28Å; N94-A96 PolarHBondContact O-N 2.92Å; N94-A96 PolarHBondContact OD1-N 2.86Å; N94-K97 HydrophobicContact CB-CB 4.44Å; N94-K97 WeakPolarHBondContact ND2-CD 3.29Å; N94-K97 WeakPolarHBondContact ND2-CG 3.16Å; N94-K97 PolarHBondContact O-N 3.02Å; N94-K97 PolarHBondContact OD1-N 3.5Å; N94-D98 WeakPolarHBondContact O-CA 3.35Å; N94-D98 PolarHBondContact O-N 2.72Å; N94-E99 HydrophobicContact CB-CB 4.34Å; N94-E99 PolarHBondContact N-O 2.9Å; N94-E99 PolarHBondContact O-N 3.06Å
95	T	94.2	Very high	96.9	Very high	132 Å²	132	64 Å²	64	81%	0.81	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.3	-178.1	-48.5	0	0	0	0	112.7	K97 D98	T95-K97 VanDerWaalsContact C-N 3.31Å; T95-K97 PolarHBondContact O-N 3.46Å; T95-D98 PolarHBondContact O-N 3.4Å
96	A	94.1	Very high	97.1	Very high	95 Å²	95	61 Å²	61	79%	0.785	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-31.1	-177.8	0	0	0	0	0	112.9	N94	N94-A96 VanDerWaalsContact C-N 3.28Å; N94-A96 PolarHBondContact O-N 2.92Å; N94-A96 PolarHBondContact OD1-N 2.86Å
97	K	94.5	Very high	97.1	Very high	64 Å²	64	60.4 Å²	60.4	28%	0.278	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-5.5	174.7	-56.8	-165.6	-176.5	174	0	113.4	N94 T95 E99 Y199	N94-K97 HydrophobicContact CB-CB 4.44Å; N94-K97 WeakPolarHBondContact ND2-CD 3.29Å; N94-K97 WeakPolarHBondContact ND2-CG 3.16Å; N94-K97 PolarHBondContact O-N 3.02Å; N94-K97 PolarHBondContact OD1-N 3.5Å; T95-K97 VanDerWaalsContact C-N 3.31Å; T95-K97 PolarHBondContact O-N 3.46Å; K97-E99 VanDerWaalsContact C-N 3.29Å; K97-E99 HydrophobicContact CB-CB 4.37Å; K97-E99 HydrophobicContact CB-CG 3.9Å; K97-E99 WeakPolarHBondContact CD-OE2 3.14Å; K97-E99 PolarHBondContact O-N 3.13Å; K97-Y199 HydrophobicContact CD-CE2 4.28Å; K97-Y199 HydrophobicContact CG-CE2 4.09Å; K97-Y199 VanDerWaalsContact CG-OH 3.28Å; K97-Y199 WeakPolarHBondContact CG-OH 3.47Å
98	D	96.9	Very high	97	Very high	43 Å²	43	56.2 Å²	56.2	23%	0.23	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	49.6	-169.9	-175.1	29.9	0	0	0	112.3	N73 H74 S75 H76 N94 T95	N73-D98 CarbonylContact C-O 3.54Å; H74-D98 WeakPolarHBondContact CA-OD2 3.13Å; H74-D98 PolarHBondContact N-O 3.35Å; S75-D98 WeakPolarHBondContact CB-O 3.49Å; S75-D98 PolarHBondContact N-O 2.99Å; S75-D98 PolarHBondContact N-OD1 2.9Å; S75-D98 VanDerWaalsContact N-OD1 3.1Å; H76-D98 IonicContact CE1-OD2 3.93Å; H76-D98 PolarHBondContact CE1-OD2 3.05Å; H76-D98 IonicContact CG-OD1 3.82Å; H76-D98 IonicContact CG-OD2 3.09Å; H76-D98 PolarHBondContact N-OD1 3.1Å; H76-D98 VanDerWaalsContact N-OD1 3.13Å; H76-D98 IonicContact ND1-OD1 2.87Å; H76-D98 PolarHBondContact ND1-OD1 3.49Å; H76-D98 VanDerWaalsContact ND1-OD1 3.09Å; H76-D98 IonicContact ND1-OD2 3.4Å; H76-D98 PolarHBondContact ND1-OD2 2.76Å; N94-D98 WeakPolarHBondContact O-CA 3.35Å; N94-D98 PolarHBondContact O-N 2.72Å; T95-D98 PolarHBondContact O-N 3.4Å
99	E	98.1	Very high	97	Very high	44 Å²	44	55.2 Å²	55.2	21%	0.206	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.2	178.9	-67.1	178.5	155.5	0	0	111.2	N54 T71 V72 N73 N94 K97	N54-E99 PolarHBondContact ND2-OE1 3.38Å; T71-E99 HydrophobicContact CG2-CB 4.25Å; V72-E99 WeakPolarHBondContact O-CA 3.46Å; V72-E99 WeakPolarHBondContact O-CB 3.44Å; N73-E99 HydrophobicContact CB-CG 4.23Å; N94-E99 HydrophobicContact CB-CB 4.34Å; N94-E99 PolarHBondContact N-O 2.9Å; N94-E99 PolarHBondContact O-N 3.06Å; K97-E99 VanDerWaalsContact C-N 3.29Å; K97-E99 HydrophobicContact CB-CB 4.37Å; K97-E99 HydrophobicContact CB-CG 3.9Å; K97-E99 WeakPolarHBondContact CD-OE2 3.14Å; K97-E99 PolarHBondContact O-N 3.13Å
100	R	98.4	Very high	96.9	Very high	13 Å²	13	53.7 Å²	53.7	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.7	164.9	69.2	-179.9	171.2	148	0.1	110.9	T71 V72 S75 I78 E88 S92 K93	T71-R100 CarbonylContact C-O 3.5Å; T71-R100 VanDerWaalsContact CA-O 3.25Å; T71-R100 WeakPolarHBondContact CA-O 3.22Å; V72-R100 HydrophobicContact CG2-CG 3.59Å; V72-R100 PolarHBondContact N-O 2.63Å; V72-R100 PolarHBondContact O-N 2.76Å; V72-R100 VanDerWaalsContact O-N 3.08Å; S75-R100 WeakPolarHBondContact OG-CB 3.38Å; S75-R100 WeakPolarHBondContact OG-CD 3.39Å; S75-R100 WeakPolarHBondContact OG-CG 3.2Å; I78-R100 PolarHBondContact O-NH2 3.17Å; E88-R100 IonicContact OE1-CZ 3.69Å; E88-R100 IonicContact OE1-NH1 3.15Å; E88-R100 PolarHBondContact OE1-NH1 2.94Å; E88-R100 IonicContact OE1-NH2 2.68Å; E88-R100 PolarHBondContact OE1-NH2 3.18Å; E88-R100 IonicContact OE2-CZ 2.79Å; E88-R100 IonicContact OE2-NE 3.16Å; E88-R100 IonicContact OE2-NH1 3.65Å; E88-R100 PolarHBondContact OE2-NH1 2.96Å; E88-R100 IonicContact OE2-NH2 3.62Å; E88-R100 PolarHBondContact OE2-NH2 3.39Å; S92-R100 WeakPolarHBondContact O-CA 3.49Å; K93-R100 HydrophobicContact CG-CB 4.23Å
101	T	98.6	Very high	96.8	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.129	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.1	170.2	-48.8	0	0	0	0	109.7	Q69 I70 T71 I91 S92	Q69-T101 HydrophobicContact CB-CG2 4.03Å; I70-T101 WeakPolarHBondContact O-CA 3.23Å; T71-T101 PolarHBondContact OG1-OG1 3.08Å; I91-T101 HydrophobicContact CD1-CG2 3.83Å; I91-T101 HydrophobicContact CG1-CG2 3.93Å; I91-T101 VanDerWaalsContact CG1-O 3.27Å; I91-T101 WeakPolarHBondContact CG1-O 3.32Å; I91-T101 PolarHBondContact N-O 2.9Å; S92-T101 PolarHBondContact N-O 2.83Å; S92-T101 PolarHBondContact O-N 2.89Å; S92-T101 WeakPolarHBondContact OG-CB 3.33Å; S92-T101 PolarHBondContact OG-OG1 3.02Å; S92-T101 VanDerWaalsContact OG-OG1 3.13Å
102	S	98.6	Very high	96.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.8	178.9	-66.8	0	0	0	0	110.5	Q69 I70 E88 N89	Q69-S102 CarbonylContact C-O 3.52Å; Q69-S102 VanDerWaalsContact CA-O 3.32Å; Q69-S102 WeakPolarHBondContact CA-O 3.27Å; I70-S102 PolarHBondContact N-O 2.87Å; I70-S102 PolarHBondContact O-N 2.84Å; E88-S102 WeakPolarHBondContact OE2-CB 3.23Å; E88-S102 PolarHBondContact OE2-OG 2.78Å; N89-S102 CarbonylContact O-C 3.6Å; N89-S102 WeakPolarHBondContact O-CA 3.35Å
103	E	98.3	Very high	96.7	Very high	20 Å²	20	49.2 Å²	49.2	9%	0.093	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138	173.9	-174.9	168.2	102.2	0	0	110.2	K62 Y67 V68 Q69 N89 I91	K62-E103 IonicContact NZ-OE1 3.37Å; K62-E103 PolarHBondContact NZ-OE1 3.25Å; K62-E103 IonicContact NZ-OE2 2.85Å; Y67-E103 HydrophobicContact CD1-CG 3.99Å; Y67-E103 HydrophobicContact CG-CG 4.39Å; V68-E103 CarbonylContact O-C 3.55Å; V68-E103 WeakPolarHBondContact O-CA 3.22Å; Q69-E103 HydrophobicContact CG-CB 4.17Å; Q69-E103 HydrophobicContact CG-CG 4.17Å; Q69-E103 PolarHBondContact NE2-OE2 3.09Å; N89-E103 WeakPolarHBondContact CB-O 3.48Å; N89-E103 PolarHBondContact N-O 2.7Å; N89-E103 PolarHBondContact O-N 3.21Å; I91-E103 HydrophobicContact CD1-CB 4.47Å; I91-E103 HydrophobicContact CG2-CB 3.72Å
104	F	98.3	Very high	96.7	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.6	176.6	-58.3	-93.7	0	0	0	109.2	Y67 V68 I70 M81 I83 E88 V106	Y67-F104 CarbonylContact C-O 3.56Å; Y67-F104 WeakPolarHBondContact CA-O 3.45Å; V68-F104 PolarHBondContact N-O 2.95Å; V68-F104 PolarHBondContact O-N 2.88Å; I70-F104 HydrophobicContact CB-CE2 4.42Å; I70-F104 HydrophobicContact CD1-CD2 4.44Å; I70-F104 HydrophobicContact CD1-CE2 4.49Å; M81-F104 HydrophobicContact CB-CE1 4.21Å; M81-F104 HydrophobicContact CB-CZ 3.77Å; M81-F104 HydrophobicContact CE-CE2 4.49Å; M81-F104 HydrophobicContact CE-CZ 4.16Å; I83-F104 HydrophobicContact CB-CB 4.23Å; I83-F104 HydrophobicContact CB-CD1 3.88Å; I83-F104 HydrophobicContact CB-CE1 4.49Å; I83-F104 HydrophobicContact CB-CG 4.15Å; I83-F104 HydrophobicContact CD1-CB 4.11Å; I83-F104 HydrophobicContact CD1-CD1 4Å; I83-F104 HydrophobicContact CD1-CD2 3.71Å; I83-F104 HydrophobicContact CD1-CE1 4.3Å; I83-F104 HydrophobicContact CD1-CE2 4.06Å; I83-F104 HydrophobicContact CD1-CG 3.67Å; I83-F104 HydrophobicContact CD1-CZ 4.33Å; I83-F104 HydrophobicContact CG1-CB 4.37Å; I83-F104 HydrophobicContact CG1-CD1 3.63Å; I83-F104 HydrophobicContact CG1-CD2 4.27Å; I83-F104 HydrophobicContact CG1-CE1 3.85Å; I83-F104 HydrophobicContact CG1-CE2 4.49Å; I83-F104 HydrophobicContact CG1-CG 3.84Å; I83-F104 HydrophobicContact CG1-CZ 4.28Å; E88-F104 HydrophobicContact CB-CD1 4.33Å; E88-F104 HydrophobicContact CB-CE1 3.37Å; E88-F104 HydrophobicContact CB-CE2 4.32Å; E88-F104 HydrophobicContact CB-CZ 3.37Å; F104-V106 HydrophobicContact CB-CG1 4.29Å
105	E	95.9	Very high	96.7	Very high	59 Å²	59	42.8 Å²	42.8	28%	0.276	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.4	161.4	-171.2	172.8	161.6	0	0	108.4	K65 L66 Y67	K65-E105 IonicContact NZ-OE1 3.94Å; K65-E105 PolarHBondContact NZ-OE1 2.89Å; K65-E105 IonicContact NZ-OE2 3.88Å; K65-E105 PolarHBondContact NZ-OE2 2.91Å; L66-E105 WeakPolarHBondContact O-CA 3.33Å; Y67-E105 HydrophobicContact CD1-CB 4.07Å; Y67-E105 HydrophobicContact CE1-CB 3.85Å; Y67-E105 HydrophobicContact CE1-CG 4.19Å
106	V	96.9	Very high	96.9	Very high	7 Å²	7	42 Å²	42	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.3	-178.5	-60	0	0	0	0	111.1	L66 V68 I83 E84 F104 L109 I113 F142	L66-V106 HydrophobicContact CB-CG2 4.04Å; L66-V106 WeakPolarHBondContact CB-O 3.35Å; L66-V106 PolarHBondContact O-N 3.06Å; V68-V106 HydrophobicContact CB-CG1 4.23Å; V68-V106 HydrophobicContact CB-CG2 4.48Å; V68-V106 HydrophobicContact CG2-CG1 4.19Å; V68-V106 HydrophobicContact CG2-CG2 3.69Å; I83-V106 HydrophobicContact CG2-CG1 3.97Å; E84-V106 WeakPolarHBondContact OE2-CA 3.45Å; F104-V106 HydrophobicContact CB-CG1 4.29Å; V106-L109 HydrophobicContact CG2-CD2 4.05Å; V106-I113 HydrophobicContact CB-CD1 4.14Å; V106-F142 HydrophobicContact CB-CE2 4.45Å; V106-F142 HydrophobicContact CG1-CE2 4.09Å
107	S	95.2	Very high	97.1	Very high	76 Å²	76	37.8 Å²	37.8	53%	0.531	19%	0.193	S	C	.	.	S	Bend	trans	-75.2	-26.2	-179.6	67.5	0	0	0	0	113.8	E84	E84-S107 WeakPolarHBondContact OE1-CB 3.2Å; E84-S107 PolarHBondContact OE1-OG 3.1Å; E84-S107 WeakPolarHBondContact OE2-CB 3.44Å; E84-S107 PolarHBondContact OE2-N 3.16Å; E84-S107 PolarHBondContact OE2-OG 3.11Å
108	K	95.4	Very high	97.3	Very high	86 Å²	86	37.3 Å²	37.3	37%	0.374	19%	0.193	S	C	.	.			trans	-157.1	158.6	-174.7	62.3	-166.4	178	-169.2	0	112.1	N110 K112 I113	K108-N110 WeakPolarHBondContact CD-O 3.49Å; K108-K112 WeakPolarHBondContact CE-O 3.09Å; K108-K112 PolarHBondContact NZ-O 2.91Å; K108-I113 HydrophobicContact CD-CG1 4.5Å; K108-I113 HydrophobicContact CG-CD1 3.67Å; K108-I113 HydrophobicContact CG-CG1 4.04Å; K108-I113 WeakPolarHBondContact O-CD1 3.38Å
109	L	96.4	Very high	97.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.187	C	C	.	.	S	Bend	trans	-104.3	-0.9	176.1	-62.6	179.9	0	0	0	113.4	L34 Y59 L66 V68 V106 F142 G144 P145 V148	L34-L109 HydrophobicContact CD2-CD2 4.41Å; Y59-L109 HydrophobicContact CD1-CD1 4.21Å; Y59-L109 HydrophobicContact CD2-CD1 3.53Å; Y59-L109 HydrophobicContact CE2-CD1 4.18Å; Y59-L109 HydrophobicContact CG-CD1 3.57Å; Y59-L109 HydrophobicContact CG-CD2 4.36Å; L66-L109 HydrophobicContact CD1-CG 4.27Å; L66-L109 HydrophobicContact CD2-CD1 4.24Å; L66-L109 HydrophobicContact CD2-CG 4.46Å; V68-L109 HydrophobicContact CG2-CD2 3.65Å; V106-L109 HydrophobicContact CG2-CD2 4.05Å; L109-F142 VanDerWaalsContact O-CB 3.3Å; L109-F142 WeakPolarHBondContact O-CB 3.36Å; L109-G144 WeakPolarHBondContact O-CA 2.94Å; L109-G144 PolarHBondContact O-N 3.08Å; L109-P145 HydrophobicContact CD1-CG 4.27Å; L109-V148 HydrophobicContact CB-CG2 4.44Å; L109-V148 HydrophobicContact CD1-CG2 4.13Å; L109-V148 HydrophobicContact CG-CG2 4.49Å
110	N	96.7	Very high	97.1	Very high	61 Å²	61	38.2 Å²	38.2	33%	0.326	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.3	176.5	-163.9	-40.6	0	0	0	110.5	K108 G144 T146	K108-N110 WeakPolarHBondContact CD-O 3.49Å; N110-G144 PolarHBondContact ND2-O 2.77Å; N110-T146 HydrophobicContact CB-CG2 4.05Å; N110-T146 WeakPolarHBondContact ND2-CG2 3.25Å
111	G	96.1	Very high	97	Very high	16 Å²	16	38 Å²	38	17%	0.165	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.2	-170.6	179.8	0	0	0	0	0	112.9	F142	G111-F142 PolarHBondContact N-O 3.02Å; G111-F142 PolarHBondContact O-N 2.68Å
112	K	97.2	Very high	96.9	Very high	77 Å²	77	41.6 Å²	41.6	34%	0.335	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.7	178.6	-67.4	-176.8	178.3	-166.8	0	111.2	T43 N44 K108 T139 Y140 K141	T43-K112 PolarHBondContact O-NZ 2.78Å; N44-K112 WeakPolarHBondContact OD1-CE 3.4Å; N44-K112 PolarHBondContact OD1-NZ 3.45Å; K108-K112 WeakPolarHBondContact CE-O 3.09Å; K108-K112 PolarHBondContact NZ-O 2.91Å; K112-T139 HydrophobicContact CB-CG2 3.75Å; K112-T139 HydrophobicContact CD-CG2 4.05Å; K112-T139 HydrophobicContact CG-CG2 3.95Å; K112-Y140 CarbonylContact C-O 3.58Å; K112-Y140 WeakPolarHBondContact CA-O 3.43Å; K112-K141 HydrophobicContact CG-CD 3.88Å
113	I	96.9	Very high	96.6	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.7	174.3	-63.9	-168.9	0	0	0	108.9	I83 E84 V106 K108 T139 Y140 F142	I83-I113 HydrophobicContact CG2-CG2 3.5Å; I83-I113 VanDerWaalsContact CG2-CG2 3.5Å; E84-I113 HydrophobicContact CG-CG2 3.27Å; V106-I113 HydrophobicContact CB-CD1 4.14Å; K108-I113 HydrophobicContact CD-CG1 4.5Å; K108-I113 HydrophobicContact CG-CD1 3.67Å; K108-I113 HydrophobicContact CG-CG1 4.04Å; K108-I113 WeakPolarHBondContact O-CD1 3.38Å; I113-T139 CarbonylContact O-C 3.45Å; I113-T139 WeakPolarHBondContact O-CA 3.38Å; I113-Y140 PolarHBondContact N-O 2.82Å; I113-Y140 PolarHBondContact O-N 2.94Å; I113-F142 HydrophobicContact CB-CE2 4.47Å; I113-F142 HydrophobicContact CD1-CD2 3.62Å; I113-F142 HydrophobicContact CD1-CE2 3.59Å; I113-F142 HydrophobicContact CG1-CD2 4.21Å; I113-F142 HydrophobicContact CG1-CE2 4.32Å
114	D	96.7	Very high	96.3	Very high	70 Å²	70	51.7 Å²	51.7	37%	0.374	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	147.9	180	-68.1	-17	0	0	0	111.8	Y41 E84 T139	Y41-D114 HydrophobicContact CE2-CB 4.31Å; E84-D114 PolarHBondContact N-O 3.03Å; D114-T139 PolarHBondContact OD1-OG1 3.46Å
115	G	98.2	Very high	95.8	Very high	6 Å²	6	52.2 Å²	52.2	6%	0.062	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-174.3	171.5	0	0	0	0	0	112.6	S82 N137 I138	S82-G115 CarbonylContact O-C 3.56Å; S82-G115 WeakPolarHBondContact O-CA 3.21Å; G115-N137 WeakPolarHBondContact O-CA 3.39Å; G115-I138 PolarHBondContact N-O 3.47Å; G115-I138 PolarHBondContact O-N 2.68Å; G115-I138 VanDerWaalsContact O-O 3.12Å
116	K	98.3	Very high	95.5	Very high	115 Å²	115	55.6 Å²	55.6	50%	0.5	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.2	-178.6	-51.8	-176.1	177.9	-179.8	0	110.7	M81 S82 Y136 N137	M81-K116 CarbonylContact C-O 3.57Å; M81-K116 WeakPolarHBondContact CA-O 3.25Å; S82-K116 PolarHBondContact N-O 2.85Å; S82-K116 PolarHBondContact O-N 2.93Å; S82-K116 WeakPolarHBondContact OG-CB 3.46Å; K116-Y136 CarbonylContact C-O 3.56Å; K116-Y136 WeakPolarHBondContact CA-O 3.19Å; K116-N137 WeakPolarHBondContact CE-OD1 3.46Å; K116-N137 WeakPolarHBondContact CG-OD1 3.18Å
117	I	98.2	Very high	95.2	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.4	171.6	62.3	174.6	0	0	0	109.9	A49 F53 G80 M81 V119 Y136 I138	A49-I117 HydrophobicContact CB-CD1 3.97Å; F53-I117 HydrophobicContact CZ-CG2 3.93Å; G80-I117 WeakPolarHBondContact O-CA 3.2Å; M81-I117 HydrophobicContact CG-CG2 4.18Å; I117-V119 HydrophobicContact CD1-CG2 4.21Å; I117-V119 HydrophobicContact CG1-CG2 4.42Å; I117-Y136 HydrophobicContact CD1-CD2 4.42Å; I117-Y136 HydrophobicContact CG1-CD2 4.34Å; I117-Y136 PolarHBondContact N-O 2.86Å; I117-Y136 PolarHBondContact O-N 2.91Å; I117-I138 HydrophobicContact CD1-CG2 4.1Å; I117-I138 HydrophobicContact CG1-CG2 4.17Å; I117-I138 HydrophobicContact CG2-CD1 3.49Å; I117-I138 VanDerWaalsContact CG2-CD1 3.49Å; I117-I138 HydrophobicContact CG2-CG1 4.16Å
118	D	97.8	Very high	94.9	Very high	53 Å²	53	62.2 Å²	62.2	28%	0.283	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.4	171.4	-52.5	-59.6	0	0	0	107.6	I78 T79 G80 H135	I78-D118 CarbonylContact C-O 3.48Å; I78-D118 WeakPolarHBondContact CA-O 3.14Å; T79-D118 PolarHBondContact N-O 3.13Å; T79-D118 WeakPolarHBondContact OG1-CB 3.13Å; T79-D118 PolarHBondContact OG1-O 2.9Å; G80-D118 PolarHBondContact N-O 3.17Å; G80-D118 PolarHBondContact O-N 2.82Å; D118-H135 IonicContact OD1-CE1 3Å; D118-H135 IonicContact OD1-CG 2.84Å; D118-H135 IonicContact OD1-ND1 2.63Å; D118-H135 PolarHBondContact OD1-ND1 2.69Å
119	V	96.4	Very high	94.8	Very high	18 Å²	18	63.5 Å²	63.5	11%	0.109	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.6	-177.4	-174.6	0	0	0	0	109.1	W77 I117 I121 Y132 D133 H134	W77-V119 CarbonylContact O-C 3.57Å; W77-V119 VanDerWaalsContact O-CA 3.3Å; W77-V119 WeakPolarHBondContact O-CA 3.27Å; I117-V119 HydrophobicContact CD1-CG2 4.21Å; I117-V119 HydrophobicContact CG1-CG2 4.42Å; V119-I121 HydrophobicContact CG1-CD1 4.17Å; V119-I121 HydrophobicContact CG1-CG1 4.17Å; V119-Y132 HydrophobicContact CB-CD1 4.33Å; V119-Y132 HydrophobicContact CB-CE1 4.09Å; V119-Y132 HydrophobicContact CG1-CD1 3.81Å; V119-Y132 HydrophobicContact CG1-CE1 3.82Å; V119-D133 WeakPolarHBondContact O-CA 3.49Å; V119-H134 PolarHBondContact N-O 2.87Å; V119-H134 PolarHBondContact O-N 2.75Å
120	Y	95.7	Very high	94.5	Very high	88 Å²	88	65.8 Å²	65.8	35%	0.345	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124	175.3	-175.8	-93.6	0	0	0	109.9	W77 D122 Y132 D133	W77-Y120 PolarHBondContact O-N 3.31Å; Y120-D122 HydrophobicContact CE1-CB 3.57Å; Y120-D122 WeakPolarHBondContact OH-CB 3.24Å; Y120-D122 PolarHBondContact OH-OD2 2.68Å; Y120-Y132 CarbonylContact C-O 3.49Å; Y120-Y132 WeakPolarHBondContact CA-O 3.4Å; Y120-D133 HydrophobicContact CD2-CB 3.91Å; Y120-D133 HydrophobicContact CE2-CB 4.26Å
121	I	95.3	Very high	94.3	Very high	8 Å²	8	69.9 Å²	69.9	4%	0.041	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.3	178.6	-49.1	175	0	0	0	106.8	W77 V119 E123 V125 F130 K131 Y132	W77-I121 HydrophobicContact CB-CD1 4.14Å; W77-I121 HydrophobicContact CB-CG1 3.9Å; W77-I121 HydrophobicContact CD2-CD1 3.55Å; W77-I121 HydrophobicContact CD2-CG1 3.94Å; W77-I121 HydrophobicContact CE3-CD1 3.7Å; W77-I121 HydrophobicContact CG-CD1 3.78Å; W77-I121 HydrophobicContact CG-CG1 3.64Å; W77-I121 HydrophobicContact CZ2-CG2 4.48Å; W77-I121 HydrophobicContact CZ3-CD1 4.23Å; V119-I121 HydrophobicContact CG1-CD1 4.17Å; V119-I121 HydrophobicContact CG1-CG1 4.17Å; I121-E123 HydrophobicContact CG2-CG 3.72Å; I121-V125 HydrophobicContact CG2-CG2 4.16Å; I121-F130 HydrophobicContact CB-CD1 4.16Å; I121-F130 HydrophobicContact CB-CE1 4.26Å; I121-F130 HydrophobicContact CD1-CE1 3.99Å; I121-F130 HydrophobicContact CG2-CD1 3.8Å; I121-F130 HydrophobicContact CG2-CE1 4.29Å; I121-K131 CarbonylContact O-C 3.5Å; I121-K131 VanDerWaalsContact O-CA 3.26Å; I121-K131 WeakPolarHBondContact O-CA 3.44Å; I121-Y132 HydrophobicContact CD1-CD1 4.39Å; I121-Y132 PolarHBondContact N-O 2.86Å; I121-Y132 PolarHBondContact O-N 3.37Å
122	D	95.6	Very high	94.1	Very high	97 Å²	97	71.3 Å²	71.3	52%	0.519	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	70.2	175.8	-168.3	5.8	0	0	0	108.6	Y120	Y120-D122 HydrophobicContact CE1-CB 3.57Å; Y120-D122 WeakPolarHBondContact OH-CB 3.24Å; Y120-D122 PolarHBondContact OH-OD2 2.68Å
123	E	93.3	Very high	94	Very high	75 Å²	75	71.9 Å²	71.9	35%	0.35	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	178.1	-174.6	61.3	175.6	-153	0	0	111.8	H76 W77 I121 V125 F130	H76-E123 IonicContact CD2-OE2 3.85Å; H76-E123 IonicContact NE2-OE1 2.63Å; H76-E123 PolarHBondContact NE2-OE1 2.63Å; H76-E123 IonicContact NE2-OE2 2.86Å; H76-E123 PolarHBondContact NE2-OE2 3.24Å; W77-E123 WeakPolarHBondContact CZ2-OE1 3.3Å; W77-E123 PolarHBondContact NE1-OE1 3.18Å; I121-E123 HydrophobicContact CG2-CG 3.72Å; E123-V125 HydrophobicContact CG-CG2 4.22Å; E123-V125 PolarHBondContact O-N 2.9Å; E123-F130 PolarHBondContact N-O 3.35Å; E123-F130 PolarHBondContact O-N 3.31Å
124	K	92.2	Very high	93.9	Very high	158 Å²	158	75.1 Å²	75.1	69%	0.687	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.6	175.1	-72.6	-178.5	-178.3	173.4	0	110.1	K128	K124-K128 CarbonylContact C-O 3.57Å; K124-K128 VanDerWaalsContact CA-O 3.24Å; K124-K128 WeakPolarHBondContact CA-O 3.48Å
125	V	87.6	Confident	93.9	Very high	14 Å²	14	78 Å²	78	9%	0.085	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.3	173.8	-174.8	0	0	0	0	108.5	W77 I121 E123 G127 K128 F130 P190	W77-V125 HydrophobicContact CH2-CG1 4.46Å; W77-V125 HydrophobicContact CH2-CG2 4.45Å; W77-V125 HydrophobicContact CZ2-CG2 4.02Å; I121-V125 HydrophobicContact CG2-CG2 4.16Å; E123-V125 HydrophobicContact CG-CG2 4.22Å; E123-V125 PolarHBondContact O-N 2.9Å; V125-G127 PolarHBondContact O-N 2.88Å; V125-K128 PolarHBondContact N-O 2.89Å; V125-K128 PolarHBondContact O-N 2.76Å; V125-K128 VanDerWaalsContact O-O 3.1Å; V125-F130 HydrophobicContact CB-CB 3.83Å; V125-F130 HydrophobicContact CB-CD1 4.4Å; V125-F130 HydrophobicContact CB-CG 4.18Å; V125-F130 HydrophobicContact CG2-CB 3.8Å; V125-F130 HydrophobicContact CG2-CD1 3.88Å; V125-F130 HydrophobicContact CG2-CG 4.08Å; V125-P190 HydrophobicContact CB-CB 4.47Å; V125-P190 HydrophobicContact CG1-CB 3.25Å; V125-P190 HydrophobicContact CG1-CG 4.02Å
126	N	89.5	Confident	93.8	Very high	130 Å²	130	81.9 Å²	81.9	70%	0.695	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.2	-174	-60.2	-30.9	0	0	0	113.5	K128	N126-K128 PolarHBondContact O-N 2.89Å
127	G	89.8	Confident	93.8	Very high	66 Å²	66	78.9 Å²	78.9	68%	0.68	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-0.4	178.7	0	0	0	0	0	115.4	V125	V125-G127 PolarHBondContact O-N 2.88Å
128	K	90.1	Very high	93.7	Very high	155 Å²	155	78.7 Å²	78.7	67%	0.674	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.9	-179.7	-59.3	-167.6	-178	-159.7	0	110.7	K124 V125 N126 F130	K124-K128 CarbonylContact C-O 3.57Å; K124-K128 VanDerWaalsContact CA-O 3.24Å; K124-K128 WeakPolarHBondContact CA-O 3.48Å; V125-K128 PolarHBondContact N-O 2.89Å; V125-K128 PolarHBondContact O-N 2.76Å; V125-K128 VanDerWaalsContact O-O 3.1Å; N126-K128 PolarHBondContact O-N 2.89Å; K128-F130 PolarHBondContact O-N 3.46Å
129	P	92.4	Very high	93.7	Very high	114 Å²	114	76.2 Å²	76.2	74%	0.74	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	129	169.8	-23	33.5	0	0	0	110.1
130	F	90.3	Very high	93.8	Very high	50 Å²	50	75.4 Å²	75.4	22%	0.219	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.8	-178.8	-176.2	-99.3	0	0	0	108.7	I121 E123 V125 K128 Y132 P190	I121-F130 HydrophobicContact CB-CD1 4.16Å; I121-F130 HydrophobicContact CB-CE1 4.26Å; I121-F130 HydrophobicContact CD1-CE1 3.99Å; I121-F130 HydrophobicContact CG2-CD1 3.8Å; I121-F130 HydrophobicContact CG2-CE1 4.29Å; E123-F130 PolarHBondContact N-O 3.35Å; E123-F130 PolarHBondContact O-N 3.31Å; V125-F130 HydrophobicContact CB-CB 3.83Å; V125-F130 HydrophobicContact CB-CD1 4.4Å; V125-F130 HydrophobicContact CB-CG 4.18Å; V125-F130 HydrophobicContact CG2-CB 3.8Å; V125-F130 HydrophobicContact CG2-CD1 3.88Å; V125-F130 HydrophobicContact CG2-CG 4.08Å; K128-F130 PolarHBondContact O-N 3.46Å; F130-Y132 VanDerWaalsContact CE1-CB 3.48Å; F130-Y132 HydrophobicContact CE1-CD2 4.32Å; F130-Y132 HydrophobicContact CE1-CG 4.08Å; F130-Y132 AromaticContact CZ-CD2 3.96Å; F130-Y132 HydrophobicContact CZ-CD2 3.96Å; F130-Y132 HydrophobicContact CZ-CG 4.2Å; F130-P190 HydrophobicContact CE1-CG 4.38Å; F130-P190 HydrophobicContact CZ-CG 4.46Å
131	K	93.3	Very high	93.9	Very high	146 Å²	146	73.1 Å²	73.1	64%	0.635	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.8	176.1	-174.8	172	-178.4	171.3	0	109.4	I121	I121-K131 CarbonylContact O-C 3.5Å; I121-K131 VanDerWaalsContact O-CA 3.26Å; I121-K131 WeakPolarHBondContact O-CA 3.44Å
132	Y	91.1	Very high	94	Very high	47 Å²	47	72.7 Å²	72.7	18%	0.184	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	128.5	-175.9	-170.2	-96	0	0	0	109.1	V119 Y120 I121 F130 H134 Y136 V187	V119-Y132 HydrophobicContact CB-CD1 4.33Å; V119-Y132 HydrophobicContact CB-CE1 4.09Å; V119-Y132 HydrophobicContact CG1-CD1 3.81Å; V119-Y132 HydrophobicContact CG1-CE1 3.82Å; Y120-Y132 CarbonylContact C-O 3.49Å; Y120-Y132 WeakPolarHBondContact CA-O 3.4Å; I121-Y132 HydrophobicContact CD1-CD1 4.39Å; I121-Y132 PolarHBondContact N-O 2.86Å; I121-Y132 PolarHBondContact O-N 3.37Å; F130-Y132 VanDerWaalsContact CE1-CB 3.48Å; F130-Y132 HydrophobicContact CE1-CD2 4.32Å; F130-Y132 HydrophobicContact CE1-CG 4.08Å; F130-Y132 AromaticContact CZ-CD2 3.96Å; F130-Y132 HydrophobicContact CZ-CD2 3.96Å; F130-Y132 HydrophobicContact CZ-CG 4.2Å; Y132-H134 HydrophobicContact CD1-CB 4.46Å; Y132-H134 AromaticContact CD1-CD2 3.77Å; Y132-H134 AromaticContact CD2-CD2 3.51Å; Y132-H134 AromaticContact CD2-NE2 3.84Å; Y132-H134 HydrophobicContact CE1-CB 3.83Å; Y132-H134 AromaticContact CE1-CD2 3.56Å; Y132-H134 AromaticContact CE1-CG 3.97Å; Y132-H134 AromaticContact CE2-CD2 3.24Å; Y132-H134 WeakPolarHBondContact CE2-CD2 3.49Å; Y132-H134 AromaticContact CE2-NE2 3.55Å; Y132-H134 AromaticContact CG-CD2 3.78Å; Y132-H134 AromaticContact CZ-CD2 3.3Å; Y132-H134 AromaticContact CZ-CG 3.79Å; Y132-Y136 HydrophobicContact CE1-CE2 4.33Å; Y132-Y136 WeakPolarHBondContact OH-CE2 3.39Å; Y132-Y136 PolarHBondContact OH-OH 2.94Å; Y132-V187 HydrophobicContact CE2-CG1 4.13Å
133	D	95.5	Very high	94.1	Very high	88 Å²	88	71.4 Å²	71.4	47%	0.471	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	100	-178.1	-173.7	4.8	0	0	0	108.2	V119 Y120 H135	V119-D133 WeakPolarHBondContact O-CA 3.49Å; Y120-D133 HydrophobicContact CD2-CB 3.91Å; Y120-D133 HydrophobicContact CE2-CB 4.26Å; D133-H135 IonicContact OD1-NE2 3.37Å
134	H	95.2	Very high	94.1	Very high	72 Å²	72	68.4 Å²	68.4	33%	0.333	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.1	-173.2	-73.7	-93.9	0	0	0	112.4	V119 Y132 Y136	V119-H134 PolarHBondContact N-O 2.87Å; V119-H134 PolarHBondContact O-N 2.75Å; Y132-H134 HydrophobicContact CD1-CB 4.46Å; Y132-H134 AromaticContact CD1-CD2 3.77Å; Y132-H134 AromaticContact CD2-CD2 3.51Å; Y132-H134 AromaticContact CD2-NE2 3.84Å; Y132-H134 HydrophobicContact CE1-CB 3.83Å; Y132-H134 AromaticContact CE1-CD2 3.56Å; Y132-H134 AromaticContact CE1-CG 3.97Å; Y132-H134 AromaticContact CE2-CD2 3.24Å; Y132-H134 WeakPolarHBondContact CE2-CD2 3.49Å; Y132-H134 AromaticContact CE2-NE2 3.55Å; Y132-H134 AromaticContact CG-CD2 3.78Å; Y132-H134 AromaticContact CZ-CD2 3.3Å; Y132-H134 AromaticContact CZ-CG 3.79Å; H134-Y136 HydrophobicContact CB-CD2 4.15Å; H134-Y136 HydrophobicContact CB-CE2 3.33Å; H134-Y136 WeakPolarHBondContact CB-OH 3.33Å; H134-Y136 AromaticContact CG-CZ 3.88Å; H134-Y136 VanDerWaalsContact CG-OH 3.28Å; H134-Y136 AromaticContact ND1-CZ 3.98Å; H134-Y136 PolarHBondContact ND1-OH 2.89Å
135	H	96.4	Very high	93.9	Very high	131 Å²	131	63.2 Å²	63.2	61%	0.606	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.5	176.1	-52.1	-78.9	0	0	0	108.4	D118 D133	D118-H135 IonicContact OD1-CE1 3Å; D118-H135 IonicContact OD1-CG 2.84Å; D118-H135 IonicContact OD1-ND1 2.63Å; D118-H135 PolarHBondContact OD1-ND1 2.69Å; D133-H135 IonicContact OD1-NE2 3.37Å
136	Y	95.4	Very high	93.7	Very high	87 Å²	87	67.1 Å²	67.1	34%	0.341	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.3	-175.9	-65.1	-72.1	0	0	0	111.3	K116 I117 Y132 H134	K116-Y136 CarbonylContact C-O 3.56Å; K116-Y136 WeakPolarHBondContact CA-O 3.19Å; I117-Y136 HydrophobicContact CD1-CD2 4.42Å; I117-Y136 HydrophobicContact CG1-CD2 4.34Å; I117-Y136 PolarHBondContact N-O 2.86Å; I117-Y136 PolarHBondContact O-N 2.91Å; Y132-Y136 HydrophobicContact CE1-CE2 4.33Å; Y132-Y136 WeakPolarHBondContact OH-CE2 3.39Å; Y132-Y136 PolarHBondContact OH-OH 2.94Å; H134-Y136 HydrophobicContact CB-CD2 4.15Å; H134-Y136 HydrophobicContact CB-CE2 3.33Å; H134-Y136 WeakPolarHBondContact CB-OH 3.33Å; H134-Y136 AromaticContact CG-CZ 3.88Å; H134-Y136 VanDerWaalsContact CG-OH 3.28Å; H134-Y136 AromaticContact ND1-CZ 3.98Å; H134-Y136 PolarHBondContact ND1-OH 2.89Å
137	N	97.8	Very high	92.4	Very high	51 Å²	51	68.1 Å²	68.1	27%	0.273	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.1	154.1	-61.5	-35.8	0	0	0	108.1	Y41 G115 K116	Y41-N137 WeakPolarHBondContact CB-O 3.41Å; Y41-N137 HydrophobicContact CD1-CB 3.76Å; Y41-N137 HydrophobicContact CD2-CB 3.7Å; Y41-N137 HydrophobicContact CE1-CB 4.19Å; Y41-N137 HydrophobicContact CE2-CB 4.17Å; Y41-N137 HydrophobicContact CG-CB 3.5Å; Y41-N137 VanDerWaalsContact CG-CB 3.5Å; G115-N137 WeakPolarHBondContact O-CA 3.39Å; K116-N137 WeakPolarHBondContact CE-OD1 3.46Å; K116-N137 WeakPolarHBondContact CG-OD1 3.18Å
138	I	97.3	Very high	90.7	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	165.1	175.8	57.7	161.3	0	0	0	109.8	V38 F53 G115 I117 Y140	V38-I138 HydrophobicContact CG1-CB 4.15Å; V38-I138 HydrophobicContact CG1-CD1 3.73Å; V38-I138 HydrophobicContact CG1-CG2 4.47Å; F53-I138 HydrophobicContact CZ-CD1 4.27Å; G115-I138 PolarHBondContact N-O 3.47Å; G115-I138 PolarHBondContact O-N 2.68Å; G115-I138 VanDerWaalsContact O-O 3.12Å; I117-I138 HydrophobicContact CD1-CG2 4.1Å; I117-I138 HydrophobicContact CG1-CG2 4.17Å; I117-I138 HydrophobicContact CG2-CD1 3.49Å; I117-I138 VanDerWaalsContact CG2-CD1 3.49Å; I117-I138 HydrophobicContact CG2-CG1 4.16Å; I138-Y140 HydrophobicContact CD1-CE1 4.05Å; I138-Y140 HydrophobicContact CD1-CE2 3.74Å; I138-Y140 VanDerWaalsContact CD1-CZ 3.49Å; I138-Y140 WeakPolarHBondContact CD1-OH 3.33Å; I138-Y140 HydrophobicContact CG1-CE2 4.1Å
139	T	97.6	Very high	88.9	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.6	175.7	-60.9	0	0	0	0	110	Y39 N42 K112 I113 D114	Y39-T139 PolarHBondContact N-O 2.99Å; Y39-T139 PolarHBondContact O-N 2.76Å; Y39-T139 VanDerWaalsContact O-N 3.1Å; N42-T139 PolarHBondContact N-OG1 2.75Å; K112-T139 HydrophobicContact CB-CG2 3.75Å; K112-T139 HydrophobicContact CD-CG2 4.05Å; K112-T139 HydrophobicContact CG-CG2 3.95Å; I113-T139 CarbonylContact O-C 3.45Å; I113-T139 WeakPolarHBondContact O-CA 3.38Å; D114-T139 PolarHBondContact OD1-OG1 3.46Å
140	Y	98.1	Very high	86.9	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.2	170.3	-59.7	-89.4	0	0	0	109.4	Y36 V38 F53 I70 I83 K112 I113 I138 F142	Y36-Y140 HydrophobicContact CD2-CD1 4.33Å; Y36-Y140 HydrophobicContact CE2-CD1 4.42Å; V38-Y140 HydrophobicContact CG2-CD1 4.18Å; V38-Y140 HydrophobicContact CG2-CE1 4.26Å; F53-Y140 HydrophobicContact CD1-CE1 4.15Å; F53-Y140 AromaticContact CE1-CE1 3.69Å; F53-Y140 HydrophobicContact CE1-CE1 3.69Å; F53-Y140 HydrophobicContact CZ-CE1 4.38Å; I70-Y140 HydrophobicContact CD1-CD1 4.22Å; I70-Y140 HydrophobicContact CD1-CE1 3.97Å; I83-Y140 HydrophobicContact CD1-CD1 4.46Å; I83-Y140 HydrophobicContact CD1-CD2 4.07Å; I83-Y140 HydrophobicContact CD1-CE1 4.12Å; I83-Y140 HydrophobicContact CD1-CE2 3.7Å; I83-Y140 HydrophobicContact CD1-CG 4.43Å; I83-Y140 HydrophobicContact CG1-CD2 4.14Å; I83-Y140 HydrophobicContact CG1-CE2 3.54Å; I83-Y140 HydrophobicContact CG2-CD2 4.42Å; K112-Y140 CarbonylContact C-O 3.58Å; K112-Y140 WeakPolarHBondContact CA-O 3.43Å; I113-Y140 PolarHBondContact N-O 2.82Å; I113-Y140 PolarHBondContact O-N 2.94Å; I138-Y140 HydrophobicContact CD1-CE1 4.05Å; I138-Y140 HydrophobicContact CD1-CE2 3.74Å; I138-Y140 VanDerWaalsContact CD1-CZ 3.49Å; I138-Y140 WeakPolarHBondContact CD1-OH 3.33Å; I138-Y140 HydrophobicContact CG1-CE2 4.1Å; Y140-F142 HydrophobicContact CD1-CE1 4.27Å; Y140-F142 HydrophobicContact CG-CE1 4.21Å; Y140-F142 HydrophobicContact CG-CZ 4.36Å
141	K	98	Very high	84.4	Confident	40 Å²	40	61.1 Å²	61.1	17%	0.174	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	98.8	169.4	179.3	63.8	-177.4	73.1	0	109	Y36 E37 Y39 K112 N143	Y36-K141 CarbonylContact C-O 3.58Å; Y36-K141 WeakPolarHBondContact CA-O 3.46Å; Y36-K141 WeakPolarHBondContact CB-O 3.11Å; E37-K141 PolarHBondContact N-O 3.14Å; E37-K141 PolarHBondContact O-N 3.05Å; Y39-K141 HydrophobicContact CD2-CB 3.96Å; Y39-K141 HydrophobicContact CE1-CB 4.32Å; Y39-K141 HydrophobicContact CE2-CB 3.52Å; Y39-K141 HydrophobicContact CE2-CD 4.4Å; Y39-K141 HydrophobicContact CE2-CG 3.79Å; K112-K141 HydrophobicContact CG-CD 3.88Å; K141-N143 PolarHBondContact NZ-OD1 3.45Å
142	F	98	Very high	81.8	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.7	175	-63.7	-24.8	0	0	0	111.2	L34 Y36 V68 V106 L109 G111 I113 Y140	L34-F142 HydrophobicContact CD1-CB 4.26Å; L34-F142 HydrophobicContact CD2-CB 4.47Å; L34-F142 HydrophobicContact CD2-CD1 3.91Å; L34-F142 HydrophobicContact CD2-CD2 4.34Å; L34-F142 HydrophobicContact CD2-CE1 4.17Å; L34-F142 HydrophobicContact CD2-CG 4.02Å; Y36-F142 HydrophobicContact CD2-CE1 4.44Å; Y36-F142 HydrophobicContact CG-CD1 4.37Å; Y36-F142 HydrophobicContact CG-CE1 4.43Å; V68-F142 HydrophobicContact CB-CZ 4.42Å; V68-F142 HydrophobicContact CG1-CE1 4.44Å; V68-F142 HydrophobicContact CG1-CZ 4.1Å; V68-F142 HydrophobicContact CG2-CE2 4.06Å; V68-F142 HydrophobicContact CG2-CZ 4.21Å; V106-F142 HydrophobicContact CB-CE2 4.45Å; V106-F142 HydrophobicContact CG1-CE2 4.09Å; L109-F142 VanDerWaalsContact O-CB 3.3Å; L109-F142 WeakPolarHBondContact O-CB 3.36Å; G111-F142 PolarHBondContact N-O 3.02Å; G111-F142 PolarHBondContact O-N 2.68Å; I113-F142 HydrophobicContact CB-CE2 4.47Å; I113-F142 HydrophobicContact CD1-CD2 3.62Å; I113-F142 HydrophobicContact CD1-CE2 3.59Å; I113-F142 HydrophobicContact CG1-CD2 4.21Å; I113-F142 HydrophobicContact CG1-CE2 4.32Å; Y140-F142 HydrophobicContact CD1-CE1 4.27Å; Y140-F142 HydrophobicContact CG-CE1 4.21Å; Y140-F142 HydrophobicContact CG-CZ 4.36Å
143	N	96.8	Very high	79.1	Confident	69 Å²	69	62.1 Å²	62.1	37%	0.369	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	50	179.4	-61.5	-38.7	0	0	0	109.5	N35 K141	N35-N143 HydrophobicContact CB-CB 4.18Å; N35-N143 WeakPolarHBondContact O-CA 3.46Å; N35-N143 WeakPolarHBondContact O-CB 3.49Å; N35-N143 PolarHBondContact O-N 2.89Å; K141-N143 PolarHBondContact NZ-OD1 3.45Å
144	G	93.5	Very high	76.3	Confident	13 Å²	13	63.6 Å²	63.6	13%	0.134	39%	0.388	C	S	.	.			trans	-97.8	-171.9	177.6	0	0	0	0	0	113.5	L109 N110	L109-G144 WeakPolarHBondContact O-CA 2.94Å; L109-G144 PolarHBondContact O-N 3.08Å; N110-G144 PolarHBondContact ND2-O 2.77Å
145	P	89	Confident	73.3	Confident	48 Å²	48	63.7 Å²	63.7	31%	0.312	41%	0.408	S	S	.	.			trans	-63.1	141.4	178.4	26	-33.4	0	0	0	111.7	Y59 L109 V148	Y59-P145 HydrophobicContact CE1-CG 4.17Å; L109-P145 HydrophobicContact CD1-CG 4.27Å; P145-V148 HydrophobicContact CB-CG1 4.06Å; P145-V148 HydrophobicContact CG-CG1 4.13Å; P145-V148 HydrophobicContact CG-CG2 4.33Å; P145-V148 WeakPolarHBondContact O-CG2 3.43Å
146	T	81.6	Confident	70.1	Confident	96 Å²	96	67.1 Å²	67.1	59%	0.589	42%	0.422	S	S	*	.	S	Bend	trans	-86.4	-33	178.8	46.2	0	0	0	0	113.3	N110 V148	N110-T146 HydrophobicContact CB-CG2 4.05Å; N110-T146 WeakPolarHBondContact ND2-CG2 3.25Å; T146-V148 PolarHBondContact O-N 3.09Å
147	D	62.9	Low	67.1	Low	152 Å²	152	70.4 Å²	70.4	81%	0.813	45%	0.445	S	S	*	.			trans	-83.4	25.9	-162.6	-59.1	-12.6	0	0	0	113.8
148	V	55.4	Low	63.9	Low	29 Å²	29	75.2 Å²	75.2	18%	0.176	47%	0.471	C	S	.	.			trans	-114.8	66.4	-163.5	-63.7	0	0	0	0	108.4	K61 L109 P145 T146 G150	K61-V148 HydrophobicContact CD-CB 4.22Å; K61-V148 HydrophobicContact CD-CG1 4.34Å; L109-V148 HydrophobicContact CB-CG2 4.44Å; L109-V148 HydrophobicContact CD1-CG2 4.13Å; L109-V148 HydrophobicContact CG-CG2 4.49Å; P145-V148 HydrophobicContact CB-CG1 4.06Å; P145-V148 HydrophobicContact CG-CG1 4.13Å; P145-V148 HydrophobicContact CG-CG2 4.33Å; P145-V148 WeakPolarHBondContact O-CG2 3.43Å; T146-V148 PolarHBondContact O-N 3.09Å; V148-G150 PolarHBondContact O-N 3.21Å
149	A	51.6	Low	60.9	Low	91 Å²	91	84.9 Å²	84.9	75%	0.752	51%	0.513	S	S	*	.			trans	-51.1	115.3	168.9	0	0	0	0	0	108.2	A151	A149-A151 PolarHBondContact O-N 3.13Å
150	G	50.9	Low	57.6	Low	43 Å²	43	92 Å²	92	44%	0.443	55%	0.551	S	S	.	*			trans	-63.9	78.9	159.9	0	0	0	0	0	107.5	V148 N152	V148-G150 PolarHBondContact O-N 3.21Å; G150-N152 PolarHBondContact O-N 3.1Å
151	A	37.4	Very low	54.4	Low	74 Å²	74	97.7 Å²	97.7	61%	0.612	59%	0.59	S	S	*	*			trans	-71.3	87	175.6	0	0	0	0	0	107.4	A149	A149-A151 PolarHBondContact O-N 3.13Å
152	N	39	Very low	51.1	Low	124 Å²	124	100 Å²	100	66%	0.663	62%	0.617	S	S	*	*			trans	-175.6	64.8	150.9	-87.5	-20.8	0	0	0	108.8	G150	G150-N152 PolarHBondContact O-N 3.1Å
153	A	32.8	Very low	47.8	Very low	91 Å²	91	105.9 Å²	105.9	75%	0.752	66%	0.658	S	S	*	*			trans	-70.6	121.2	145.4	0	0	0	0	0	105.7	G155	A153-G155 PolarHBondContact O-N 2.9Å
154	P	37.4	Very low	44.5	Very low	119 Å²	119	105.6 Å²	105.6	77%	0.773	67%	0.671	S	S	*	*			trans	-60.5	130	-177.2	23.1	-30.8	0	0	0	109.1	K156	P154-K156 PolarHBondContact O-N 2.94Å
155	G	31.7	Very low	41.3	Very low	74 Å²	74	110.5 Å²	110.5	76%	0.763	70%	0.704	S	S	*	*			trans	-45.9	110	176.7	0	0	0	0	0	110.4	A153 D157	A153-G155 PolarHBondContact O-N 2.9Å; G155-D157 VanDerWaalsContact C-N 3.33Å; G155-D157 PolarHBondContact O-N 2.81Å
156	K	30.9	Very low	38.4	Very low	203 Å²	203	114.9 Å²	114.9	88%	0.883	72%	0.724	S	S	*	*			trans	-79.3	94.9	159.3	-112.5	177.4	-179.3	172.4	0	104.9	P154 D158	P154-K156 PolarHBondContact O-N 2.94Å; K156-D158 PolarHBondContact O-N 2.81Å
157	D	32.1	Very low	35.8	Very low	155 Å²	155	119 Å²	119	83%	0.829	73%	0.734	S	S	*	*			trans	-54.8	133.1	162.4	-77.6	-33.4	0	0	0	109	G155 K159	G155-D157 VanDerWaalsContact C-N 3.33Å; G155-D157 PolarHBondContact O-N 2.81Å; D157-K159 PolarHBondContact O-N 3.36Å
158	D	30.3	Very low	34	Very low	153 Å²	153	115.6 Å²	115.6	82%	0.818	74%	0.735	S	S	*	*			trans	-47.7	123.4	-176.8	-65.8	-59.7	0	0	0	113.8	K156	K156-D158 PolarHBondContact O-N 2.81Å
159	K	33.4	Very low	32.7	Very low	207 Å²	207	119.8 Å²	119.8	90%	0.9	77%	0.765	S	S	*	*			trans	-147.4	102.7	135.8	-75.6	-156.4	-177.3	173.4	0	111.4	D157	D157-K159 PolarHBondContact O-N 3.36Å
160	N	29.2	Very low	31.6	Very low	151 Å²	151	122.2 Å²	122.2	81%	0.807	77%	0.766	S	S	*	*			trans	-21.3	123.4	151.4	-174.4	21.8	0	0	0	114.8
161	S	30.6	Very low	30.5	Very low	120 Å²	120	123.3 Å²	123.3	84%	0.839	78%	0.778	S	S	*	*			trans	-153.4	104.1	146.6	-149.2	0	0	0	0	109.5
162	A	29.6	Very low	29.9	Very low	88 Å²	88	125.2 Å²	125.2	73%	0.727	78%	0.782	S	S	*	*			trans	-71.4	140.7	168.4	0	0	0	0	0	110.9
163	S	28	Very low	29.2	Very low	124 Å²	124	125.7 Å²	125.7	87%	0.867	79%	0.789	S	S	*	*			trans	167.2	108.7	142.3	-170	0	0	0	0	107.4
164	G	28.2	Very low	28.9	Very low	62 Å²	62	127.1 Å²	127.1	64%	0.639	79%	0.789	S	S	*	*				93.1	100.7	100.9	0	0	0	0	0	109
165	S	25.6	Very low	28.3	Very low	117 Å²	117	123.8 Å²	123.8	82%	0.818	78%	0.776	S	S	*	*				110	112.6	77.8	57	0	0	0	0	110.5
166	D	27.3	Very low	28.2	Very low	139 Å²	139	127 Å²	127	74%	0.743	77%	0.772	S	S	*	*			trans	77.9	142.6	137.7	-154.4	26.8	0	0	0	121.8
167	K	27.8	Very low	28.3	Very low	182 Å²	182	122.1 Å²	122.1	79%	0.791	76%	0.763	S	S	*	*			trans	78.1	108.7	165.4	-85	164.6	-173.8	164.1	0	120
168	G	24.7	Very low	28.2	Very low	81 Å²	81	122 Å²	122	84%	0.835	76%	0.757	S	S	*	*			trans	-70.6	171.1	167.6	0	0	0	0	0	114.3
169	S	28.7	Very low	28.3	Very low	117 Å²	117	120.5 Å²	120.5	82%	0.818	76%	0.759	S	S	*	*			trans	-149.6	124.7	150.7	-174.8	0	0	0	0	107.1
170	D	27.5	Very low	28	Very low	142 Å²	142	118 Å²	118	76%	0.759	76%	0.755	S	S	*	*			trans	-36.9	138.3	159.4	-170.8	4.3	0	0	0	112.2
171	G	27.8	Very low	28.1	Very low	67 Å²	67	116.3 Å²	116.3	69%	0.691	76%	0.755	S	S	*	*			trans	-163.3	56.7	-170.1	0	0	0	0	0	110.5	T173	G171-T173 PolarHBondContact O-N 3.01Å
172	T	24.9	Very low	27.9	Very low	114 Å²	114	115.7 Å²	115.7	70%	0.699	75%	0.751	S	S	*	*			trans	-57.2	110.5	164.9	-63.1	0	0	0	0	109.6
173	T	25.3	Very low	28	Very low	133 Å²	133	118.1 Å²	118.1	82%	0.816	75%	0.752	S	S	*	*			trans	-130.1	95.1	166.8	-53.7	0	0	0	0	109.8	G171 G175	G171-T173 PolarHBondContact O-N 3.01Å; T173-G175 PolarHBondContact O-N 3.35Å
174	T	25.4	Very low	28.2	Very low	121 Å²	121	122.3 Å²	122.3	74%	0.742	75%	0.754	S	S	*	*			trans	-49.5	104.4	163.7	41	0	0	0	0	111.9	Q176	T174-Q176 PolarHBondContact O-N 3.28Å
175	G	26.3	Very low	28.4	Very low	50 Å²	50	124.9 Å²	124.9	52%	0.515	75%	0.753	S	S	.	*			trans	-91.3	64.1	169	0	0	0	0	0	111.6	T173 S177	T173-G175 PolarHBondContact O-N 3.35Å; G175-S177 PolarHBondContact O-N 2.81Å
176	Q	28.9	Very low	28.7	Very low	142 Å²	142	129 Å²	129	66%	0.664	76%	0.756	S	S	*	*			trans	-83.2	87.7	167.7	-173	167.3	-43.7	0	0	107.1	T174 E178	T174-Q176 PolarHBondContact O-N 3.28Å; Q176-E178 HydrophobicContact CG-CG 4.07Å; Q176-E178 VanDerWaalsContact NE2-CD 3.26Å; Q176-E178 PolarHBondContact NE2-OE2 3.47Å; Q176-E178 PolarHBondContact O-N 2.88Å
177	S	32.2	Very low	29.7	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	75%	0.747	S	S	*	*			trans	-73.6	75.3	169.2	-66.1	0	0	0	0	109.5	G175	G175-S177 PolarHBondContact O-N 2.81Å
178	E	31.4	Very low	30.5	Very low	153 Å²	153	126.1 Å²	126.1	72%	0.715	75%	0.747	S	S	*	*			trans	-93.7	90.7	156.2	-80.6	175	162.6	0	0	107.1	Q176 N180	Q176-E178 HydrophobicContact CG-CG 4.07Å; Q176-E178 VanDerWaalsContact NE2-CD 3.26Å; Q176-E178 PolarHBondContact NE2-OE2 3.47Å; Q176-E178 PolarHBondContact O-N 2.88Å; E178-N180 PolarHBondContact O-N 3.23Å
179	S	31.5	Very low	31.8	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	72%	0.72	S	S	*	*			trans	-94.5	91.2	167.9	-160.6	0	0	0	0	108.7
180	N	28.1	Very low	33.1	Very low	155 Å²	155	119.8 Å²	119.8	83%	0.829	69%	0.686	S	S	*	*			trans	23.7	103.1	147.8	-101.5	-5.4	0	0	0	117.9	E178	E178-N180 PolarHBondContact O-N 3.23Å
181	S	30.1	Very low	34	Very low	115 Å²	115	120.5 Å²	120.5	80%	0.804	69%	0.685	S	S	*	*			trans	-144.9	108.5	130.9	-160.8	0	0	0	0	108.7	N183	S181-N183 PolarHBondContact O-N 2.95Å; S181-N183 VanDerWaalsContact O-N 3.11Å
182	S	27.6	Very low	35.2	Very low	106 Å²	106	119 Å²	119	74%	0.741	66%	0.662	S	S	*	*			trans	-57.4	100.2	173	45.3	0	0	0	0	111.4
183	N	30.1	Very low	35.8	Very low	140 Å²	140	121 Å²	121	75%	0.749	67%	0.669	S	S	*	*			trans	-162.9	131.5	132.8	-120.8	-11.2	0	0	0	110.6	S181 D185	S181-N183 PolarHBondContact O-N 2.95Å; S181-N183 VanDerWaalsContact O-N 3.11Å; N183-D185 PolarHBondContact O-N 3.43Å
184	K	32.2	Very low	36.5	Very low	211 Å²	211	118.1 Å²	118.1	92%	0.917	66%	0.659	S	S	*	*			trans	-79	52.8	-174.5	-163.5	-169.8	-168.7	-179	0	110.6
185	D	32.5	Very low	37.1	Very low	117 Å²	117	114.9 Å²	114.9	63%	0.626	65%	0.649	S	S	*	*			trans	-112.1	119.3	173.5	-68.5	-43.1	0	0	0	107.7	N183 V187	N183-D185 PolarHBondContact O-N 3.43Å; D185-V187 PolarHBondContact O-N 3.19Å
186	K	32.7	Very low	37.9	Very low	203 Å²	203	116.7 Å²	116.7	88%	0.883	65%	0.65	S	S	*	*			trans	-57.9	92.5	170.1	-163.8	-177.9	-159.7	-66.9	0	106	E188	K186-E188 PolarHBondContact O-N 3.29Å
187	V	47.4	Very low	38.6	Very low	91 Å²	91	112.8 Å²	112.8	55%	0.552	64%	0.637	S	S	*	*			trans	-60.2	108.4	179.1	-177.7	0	0	0	0	106.1	Y132 D185 N189	Y132-V187 HydrophobicContact CE2-CG1 4.13Å; D185-V187 PolarHBondContact O-N 3.19Å; V187-N189 PolarHBondContact O-N 3.29Å; V187-N189 VanDerWaalsContact O-N 3.17Å
188	E	44.3	Very low	39.4	Very low	170 Å²	170	111.8 Å²	111.8	79%	0.794	64%	0.635	S	S	*	*			trans	-60.6	120.6	174.1	-74.6	-173.5	159.4	0	0	107.1	K186 P190	K186-E188 PolarHBondContact O-N 3.29Å; E188-P190 WeakPolarHBondContact O-CD 3.31Å
189	N	53	Low	40.5	Very low	49 Å²	49	108.9 Å²	108.9	26%	0.262	62%	0.618	S	S	.	*			trans	-58.9	120.1	165.3	-175.1	30.7	0	0	0	105.7	I48 Y52 V187 Q191	I48-N189 HydrophobicContact CG2-CB 3.67Å; I48-N189 WeakPolarHBondContact CG2-ND2 3.29Å; Y52-N189 PolarHBondContact OH-ND2 2.8Å; Y52-N189 PolarHBondContact OH-OD1 3.37Å; V187-N189 PolarHBondContact O-N 3.29Å; V187-N189 VanDerWaalsContact O-N 3.17Å; N189-Q191 VanDerWaalsContact C-N 3.27Å; N189-Q191 PolarHBondContact O-N 3.33Å
190	P	55.5	Low	41.1	Very low	16 Å²	16	106 Å²	106	10%	0.104	59%	0.593	C	S	.	*			trans	-61.8	101.4	172.5	24.8	-30.8	0	0	0	106.6	Y52 W77 V125 F130 E188 T192	Y52-P190 PolarHBondContact OH-O 3Å; W77-P190 HydrophobicContact CH2-CB 4.46Å; W77-P190 HydrophobicContact CH2-CG 4.03Å; W77-P190 HydrophobicContact CZ3-CG 4.08Å; V125-P190 HydrophobicContact CB-CB 4.47Å; V125-P190 HydrophobicContact CG1-CB 3.25Å; V125-P190 HydrophobicContact CG1-CG 4.02Å; F130-P190 HydrophobicContact CE1-CG 4.38Å; F130-P190 HydrophobicContact CZ-CG 4.46Å; E188-P190 WeakPolarHBondContact O-CD 3.31Å; P190-T192 PolarHBondContact O-N 2.63Å
191	Q	47.6	Very low	42.4	Very low	157 Å²	157	105.8 Å²	105.8	73%	0.734	58%	0.581	S	S	*	*			trans	-64.2	93.3	172.7	-73.8	-158.8	-92.2	0	0	106.5	N189 N193	N189-Q191 VanDerWaalsContact C-N 3.27Å; N189-Q191 PolarHBondContact O-N 3.33Å; Q191-N193 PolarHBondContact O-N 3.17Å
192	T	51.3	Low	43.6	Very low	36 Å²	36	102.7 Å²	102.7	22%	0.221	56%	0.563	C	S	.	*			trans	-73.2	122.3	157	52.7	0	0	0	0	104.5	H74 W77 P190 A194	H74-T192 PolarHBondContact CE1-OG1 3.4Å; H74-T192 WeakPolarHBondContact NE2-CB 3.28Å; H74-T192 WeakPolarHBondContact NE2-CG2 3.46Å; H74-T192 PolarHBondContact NE2-OG1 3.09Å; W77-T192 HydrophobicContact CH2-CG2 3.32Å; W77-T192 HydrophobicContact CZ2-CG2 4.16Å; W77-T192 HydrophobicContact CZ3-CG2 3.87Å; P190-T192 PolarHBondContact O-N 2.63Å; T192-A194 VanDerWaalsContact C-N 3.32Å; T192-A194 PolarHBondContact O-N 3.28Å
193	N	38.4	Very low	45.1	Very low	155 Å²	155	102.4 Å²	102.4	83%	0.829	55%	0.552	S	S	*	*			trans	-51.7	94.3	-175.7	-70.6	-41.5	0	0	0	110.6	Q191 G195	Q191-N193 PolarHBondContact O-N 3.17Å; N193-G195 PolarHBondContact O-N 2.84Å
194	A	39.2	Very low	46.4	Very low	73 Å²	73	99.2 Å²	99.2	60%	0.603	54%	0.539	S	S	*	.			trans	-74.4	26.1	178.4	0	0	0	0	0	112.1	T192	T192-A194 VanDerWaalsContact C-N 3.32Å; T192-A194 PolarHBondContact O-N 3.28Å
195	G	39.8	Very low	48.1	Very low	53 Å²	53	93.9 Å²	93.9	55%	0.546	52%	0.524	S	S	.	.	S	Bend	trans	-73.4	128.6	164.4	0	0	0	0	0	108.1	N193 P197	N193-G195 PolarHBondContact O-N 2.84Å; G195-P197 VanDerWaalsContact O-CD 3.31Å; G195-P197 WeakPolarHBondContact O-CD 3.49Å
196	T	42.9	Very low	49.7	Very low	88 Å²	88	91.1 Å²	91.1	54%	0.54	52%	0.518	S	S	.	.			trans	-36.5	108.4	168.1	18.7	0	0	0	0	109.3	A198	T196-A198 PolarHBondContact O-N 2.84Å
197	P	43.2	Very low	51.5	Low	59 Å²	59	84.5 Å²	84.5	38%	0.383	50%	0.497	S	S	.	.			trans	-62.5	134.4	-172.8	24.2	-34.4	0	0	0	108.1	G195 Y199 I200	G195-P197 VanDerWaalsContact O-CD 3.31Å; G195-P197 WeakPolarHBondContact O-CD 3.49Å; P197-Y199 HydrophobicContact CB-CD1 3.64Å; P197-Y199 HydrophobicContact CB-CE1 3.27Å; P197-Y199 HydrophobicContact CG-CD1 3.97Å; P197-Y199 HydrophobicContact CG-CE1 3.22Å; P197-Y199 HydrophobicContact CG-CE2 4.15Å; P197-Y199 VanDerWaalsContact CG-OH 3.29Å; P197-Y199 WeakPolarHBondContact CG-OH 3.43Å; P197-Y199 PolarHBondContact O-N 3.02Å; P197-I200 PolarHBondContact O-N 2.69Å
198	A	49.4	Very low	52.9	Low	80 Å²	80	85.2 Å²	85.2	66%	0.661	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-22.2	-166.5	0	0	0	0	0	114.2	T196 I200 Y201 A202	T196-A198 PolarHBondContact O-N 2.84Å; A198-I200 PolarHBondContact O-N 3.37Å; A198-Y201 WeakPolarHBondContact O-CB 3.48Å; A198-Y201 PolarHBondContact O-N 3.02Å; A198-A202 PolarHBondContact O-N 2.97Å; A198-A202 VanDerWaalsContact O-N 3.09Å
199	Y	54.4	Low	54.4	Low	92 Å²	92	79.9 Å²	79.9	36%	0.361	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-23.3	175.2	68.6	-104.7	0	0	0	113.9	K97 P197 Y201 A202 I203	K97-Y199 HydrophobicContact CD-CE2 4.28Å; K97-Y199 HydrophobicContact CG-CE2 4.09Å; K97-Y199 VanDerWaalsContact CG-OH 3.28Å; K97-Y199 WeakPolarHBondContact CG-OH 3.47Å; P197-Y199 HydrophobicContact CB-CD1 3.64Å; P197-Y199 HydrophobicContact CB-CE1 3.27Å; P197-Y199 HydrophobicContact CG-CD1 3.97Å; P197-Y199 HydrophobicContact CG-CE1 3.22Å; P197-Y199 HydrophobicContact CG-CE2 4.15Å; P197-Y199 VanDerWaalsContact CG-OH 3.29Å; P197-Y199 WeakPolarHBondContact CG-OH 3.43Å; P197-Y199 PolarHBondContact O-N 3.02Å; Y199-Y201 PolarHBondContact O-N 2.89Å; Y199-A202 PolarHBondContact O-N 3.44Å; Y199-I203 HydrophobicContact CD2-CD1 4.25Å; Y199-I203 WeakPolarHBondContact O-CG1 3.12Å; Y199-I203 PolarHBondContact O-N 3.48Å
200	I	43	Very low	55.6	Low	61 Å²	61	82.8 Å²	82.8	31%	0.313	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-32.4	171.5	-93.9	-71	0	0	0	111.5	P197 A198 P204	P197-I200 PolarHBondContact O-N 2.69Å; A198-I200 PolarHBondContact O-N 3.37Å; I200-P204 WeakPolarHBondContact O-CD 3.26Å; I200-P204 WeakPolarHBondContact O-CG 3.49Å
201	Y	56.6	Low	56.7	Low	149 Å²	149	87.2 Å²	87.2	58%	0.584	52%	0.519	S	S	*	.	H	α-helix	trans	-82.5	-28.4	170.9	-59.6	-75.4	0	0	0	111.7	A198 Y199 P204 V205	A198-Y201 WeakPolarHBondContact O-CB 3.48Å; A198-Y201 PolarHBondContact O-N 3.02Å; Y199-Y201 PolarHBondContact O-N 2.89Å; Y201-P204 WeakPolarHBondContact O-CD 3.27Å; Y201-V205 WeakPolarHBondContact O-CG2 3.34Å; Y201-V205 PolarHBondContact O-N 3.27Å
202	A	54.7	Low	58.4	Low	51 Å²	51	84 Å²	84	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-69.8	-36.1	177.9	0	0	0	0	0	113.4	A198 Y199 V205 A206	A198-A202 PolarHBondContact O-N 2.97Å; A198-A202 VanDerWaalsContact O-N 3.09Å; Y199-A202 PolarHBondContact O-N 3.44Å; A202-V205 PolarHBondContact O-N 3.48Å; A202-A206 VanDerWaalsContact O-CB 3.24Å; A202-A206 WeakPolarHBondContact O-CB 3.24Å; A202-A206 PolarHBondContact O-N 2.91Å
203	I	58	Low	59.8	Low	99 Å²	99	84.8 Å²	84.8	51%	0.508	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-49.1	-178.6	-63.7	164.7	0	0	0	111.6	Y199 V205 S207	Y199-I203 HydrophobicContact CD2-CD1 4.25Å; Y199-I203 WeakPolarHBondContact O-CG1 3.12Å; Y199-I203 PolarHBondContact O-N 3.48Å; I203-V205 PolarHBondContact O-N 3.3Å; I203-S207 WeakPolarHBondContact O-CB 3.2Å; I203-S207 PolarHBondContact O-N 3.09Å; I203-S207 PolarHBondContact O-OG 3.04Å
204	P	57.5	Low	61.8	Low	74 Å²	74	82.1 Å²	82.1	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-39	173.1	-23.1	33.1	0	0	0	113.2	I200 Y201 S207 L208	I200-P204 WeakPolarHBondContact O-CD 3.26Å; I200-P204 WeakPolarHBondContact O-CG 3.49Å; Y201-P204 WeakPolarHBondContact O-CD 3.27Å; P204-S207 VanDerWaalsContact CA-OG 3.25Å; P204-S207 WeakPolarHBondContact CA-OG 3.29Å; P204-S207 PolarHBondContact O-OG 3.25Å; P204-L208 VanDerWaalsContact O-CB 3.29Å; P204-L208 WeakPolarHBondContact O-CB 3.39Å; P204-L208 PolarHBondContact O-N 2.79Å
205	V	69.7	Low	63.8	Low	98 Å²	98	81.7 Å²	81.7	59%	0.594	49%	0.491	S	S	*	.	H	α-helix	trans	-69.9	-42.5	-179.8	173.4	0	0	0	0	111.5	Y201 A202 I203 L208 A209	Y201-V205 WeakPolarHBondContact O-CG2 3.34Å; Y201-V205 PolarHBondContact O-N 3.27Å; A202-V205 PolarHBondContact O-N 3.48Å; I203-V205 PolarHBondContact O-N 3.3Å; V205-L208 PolarHBondContact O-N 2.67Å; V205-A209 WeakPolarHBondContact O-CB 3.33Å; V205-A209 PolarHBondContact O-N 2.97Å
206	A	65.7	Low	65.9	Low	60 Å²	60	84.3 Å²	84.3	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-39.7	176.4	0	0	0	0	0	111.7	A202 A209 L210	A202-A206 VanDerWaalsContact O-CB 3.24Å; A202-A206 WeakPolarHBondContact O-CB 3.24Å; A202-A206 PolarHBondContact O-N 2.91Å; A206-A209 PolarHBondContact O-N 3.05Å; A206-L210 VanDerWaalsContact O-CB 3.32Å; A206-L210 WeakPolarHBondContact O-CB 3.24Å; A206-L210 PolarHBondContact O-N 3.17Å
207	S	70.6	Confident	67.7	Low	64 Å²	64	87.2 Å²	87.2	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-67.2	-38.4	174.4	45.7	0	0	0	0	112.2	I203 P204 L210 L211	I203-S207 WeakPolarHBondContact O-CB 3.2Å; I203-S207 PolarHBondContact O-N 3.09Å; I203-S207 PolarHBondContact O-OG 3.04Å; P204-S207 VanDerWaalsContact CA-OG 3.25Å; P204-S207 WeakPolarHBondContact CA-OG 3.29Å; P204-S207 PolarHBondContact O-OG 3.25Å; S207-L210 PolarHBondContact O-N 3.29Å; S207-L211 WeakPolarHBondContact O-CB 3.42Å; S207-L211 PolarHBondContact O-N 2.89Å
208	L	76.2	Confident	69.5	Low	106 Å²	106	88.7 Å²	88.7	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-66	-42.9	172.8	-173.5	62.1	0	0	0	112.2	P204 V205 L211 I212	P204-L208 VanDerWaalsContact O-CB 3.29Å; P204-L208 WeakPolarHBondContact O-CB 3.39Å; P204-L208 PolarHBondContact O-N 2.79Å; V205-L208 PolarHBondContact O-N 2.67Å; L208-L211 PolarHBondContact O-N 3.48Å; L208-I212 HydrophobicContact CG-CD1 4.08Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 3.3Å
209	A	75.1	Confident	70.7	Confident	57 Å²	57	93.4 Å²	93.4	47%	0.471	51%	0.506	S	S	.	.	H	α-helix	trans	-63.2	-41.1	176.5	0	0	0	0	0	111.9	V205 A206 I212 A213	V205-A209 WeakPolarHBondContact O-CB 3.33Å; V205-A209 PolarHBondContact O-N 2.97Å; A206-A209 PolarHBondContact O-N 3.05Å; A209-I212 PolarHBondContact O-N 3.4Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.41Å
210	L	79	Confident	71.6	Confident	111 Å²	111	97.1 Å²	97.1	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-64.8	-40.4	175	-172.4	63.8	0	0	0	111.4	A206 S207 A213 I214	A206-L210 VanDerWaalsContact O-CB 3.32Å; A206-L210 WeakPolarHBondContact O-CB 3.24Å; A206-L210 PolarHBondContact O-N 3.17Å; S207-L210 PolarHBondContact O-N 3.29Å; L210-A213 PolarHBondContact O-N 2.92Å; L210-I214 HydrophobicContact CG-CD1 4.12Å; L210-I214 VanDerWaalsContact O-CG1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.33Å; L210-I214 PolarHBondContact O-N 3.37Å
211	L	79.1	Confident	72.7	Confident	109 Å²	109	101 Å²	101	57%	0.571	54%	0.538	S	S	*	.	H	α-helix	trans	-65.3	-41.9	176.8	-149.3	158.1	0	0	0	111.2	S207 L208 I214 T215	S207-L211 WeakPolarHBondContact O-CB 3.42Å; S207-L211 PolarHBondContact O-N 2.89Å; L208-L211 PolarHBondContact O-N 3.48Å; L211-I214 PolarHBondContact O-N 2.89Å; L211-T215 WeakPolarHBondContact O-CB 3.39Å; L211-T215 PolarHBondContact O-N 3.49Å; L211-T215 PolarHBondContact O-OG1 3.47Å
212	I	81.7	Confident	73.1	Confident	90 Å²	90	97.9 Å²	97.9	46%	0.462	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-45.8	172.9	-68.1	165.2	0	0	0	110.5	L208 A209 I214 T215 L216	L208-I212 HydrophobicContact CG-CD1 4.08Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 3.3Å; A209-I212 PolarHBondContact O-N 3.4Å; I212-I214 PolarHBondContact O-N 2.88Å; I212-T215 PolarHBondContact O-N 3.24Å; I212-L216 HydrophobicContact CG2-CD1 4.06Å; I212-L216 HydrophobicContact CG2-CG 4.39Å; I212-L216 WeakPolarHBondContact O-CG 3.26Å; I212-L216 PolarHBondContact O-N 3.45Å
213	A	81.6	Confident	73.4	Confident	52 Å²	52	104 Å²	104	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-61.5	-43.7	178.7	0	0	0	0	0	112.3	A209 L210 T215 L216 F217	A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.41Å; L210-A213 PolarHBondContact O-N 2.92Å; A213-T215 VanDerWaalsContact C-N 3.34Å; A213-T215 PolarHBondContact O-N 2.93Å; A213-L216 PolarHBondContact O-N 2.9Å; A213-F217 WeakPolarHBondContact O-CB 3.32Å; A213-F217 PolarHBondContact O-N 3.35Å
214	I	81.3	Confident	73.5	Confident	98 Å²	98	102.1 Å²	102.1	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-60.9	-45	174.3	-68.7	165.1	0	0	0	110.3	L210 L211 I212 L216 F217 V218	L210-I214 HydrophobicContact CG-CD1 4.12Å; L210-I214 VanDerWaalsContact O-CG1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.33Å; L210-I214 PolarHBondContact O-N 3.37Å; L211-I214 PolarHBondContact O-N 2.89Å; I212-I214 PolarHBondContact O-N 2.88Å; I214-L216 VanDerWaalsContact C-N 3.34Å; I214-L216 PolarHBondContact O-N 2.91Å; I214-F217 PolarHBondContact O-N 3.2Å; I214-V218 HydrophobicContact CG2-CG2 4.37Å; I214-V218 WeakPolarHBondContact O-CG2 3.45Å; I214-V218 PolarHBondContact O-N 2.95Å
215	T	81.2	Confident	73.5	Confident	65 Å²	65	104.8 Å²	104.8	40%	0.399	57%	0.571	S	S	.	*	H	α-helix	trans	-62.7	-40.6	-179.8	-50.2	0	0	0	0	111.8	L211 I212 A213 R219	L211-T215 WeakPolarHBondContact O-CB 3.39Å; L211-T215 PolarHBondContact O-N 3.49Å; L211-T215 PolarHBondContact O-OG1 3.47Å; I212-T215 PolarHBondContact O-N 3.24Å; A213-T215 VanDerWaalsContact C-N 3.34Å; A213-T215 PolarHBondContact O-N 2.93Å; T215-R219 WeakPolarHBondContact O-CB 3.48Å; T215-R219 PolarHBondContact O-N 3.48Å
216	L	82.2	Confident	72.5	Confident	108 Å²	108	106.1 Å²	106.1	57%	0.565	58%	0.579	S	S	*	*	H	α-helix	trans	-68.1	-39.7	175.7	-68.9	176.6	0	0	0	112.2	I212 A213 I214 R219 K220	I212-L216 HydrophobicContact CG2-CD1 4.06Å; I212-L216 HydrophobicContact CG2-CG 4.39Å; I212-L216 WeakPolarHBondContact O-CG 3.26Å; I212-L216 PolarHBondContact O-N 3.45Å; A213-L216 PolarHBondContact O-N 2.9Å; I214-L216 VanDerWaalsContact C-N 3.34Å; I214-L216 PolarHBondContact O-N 2.91Å; L216-R219 PolarHBondContact O-N 3.29Å; L216-K220 WeakPolarHBondContact O-CB 3.42Å; L216-K220 PolarHBondContact O-N 3.48Å
217	F	82.2	Confident	71.5	Confident	148 Å²	148	115.5 Å²	115.5	65%	0.649	61%	0.612	S	S	*	*	H	α-helix	trans	-63.9	-45.3	176.6	-175.1	-98.4	0	0	0	111.9	A213 I214 R219 K220 K221	A213-F217 WeakPolarHBondContact O-CB 3.32Å; A213-F217 PolarHBondContact O-N 3.35Å; I214-F217 PolarHBondContact O-N 3.2Å; F217-R219 PolarHBondContact O-N 2.94Å; F217-K220 PolarHBondContact O-N 3.41Å; F217-K221 PolarHBondContact O-N 3.41Å
218	V	79.8	Confident	71.6	Confident	91 Å²	91	118.1 Å²	118.1	55%	0.552	62%	0.62	S	S	*	*	H	α-helix	trans	-61.3	-44	175.8	173.1	0	0	0	0	111	I214 K220 K221 S222	I214-V218 HydrophobicContact CG2-CG2 4.37Å; I214-V218 WeakPolarHBondContact O-CG2 3.45Å; I214-V218 PolarHBondContact O-N 2.95Å; V218-K220 PolarHBondContact O-N 3.07Å; V218-K221 PolarHBondContact O-N 3.33Å; V218-S222 PolarHBondContact O-N 3.02Å
219	R	74.3	Confident	71.3	Confident	179 Å²	179	118.7 Å²	118.7	68%	0.675	62%	0.624	S	S	*	*	H	α-helix	trans	-62.6	-40.4	175.9	-85.4	-177.4	157.8	171.3	-3.6	113.2	T215 L216 F217 S222 K223	T215-R219 WeakPolarHBondContact O-CB 3.48Å; T215-R219 PolarHBondContact O-N 3.48Å; L216-R219 PolarHBondContact O-N 3.29Å; F217-R219 PolarHBondContact O-N 2.94Å; R219-S222 PolarHBondContact O-N 3.27Å; R219-K223 PolarHBondContact O-N 3.43Å
220	K	74.5	Confident	71.1	Confident	169 Å²	169	122.1 Å²	122.1	74%	0.735	63%	0.632	S	S	*	*	H	α-helix	trans	-64.7	-42.3	177.2	-172.4	176.6	177.8	-179.4	0	111.2	L216 F217 V218 K223 G224	L216-K220 WeakPolarHBondContact O-CB 3.42Å; L216-K220 PolarHBondContact O-N 3.48Å; F217-K220 PolarHBondContact O-N 3.41Å; V218-K220 PolarHBondContact O-N 3.07Å; K220-K223 PolarHBondContact O-N 2.93Å; K220-G224 PolarHBondContact O-N 3.02Å
221	K	64.9	Low	70.7	Confident	144 Å²	144	122.8 Å²	122.8	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-64.7	-38.9	177.1	-166.2	175	-178.3	179	0	112.3	F217 V218 K223 G224	F217-K221 PolarHBondContact O-N 3.41Å; V218-K221 PolarHBondContact O-N 3.33Å; K221-K223 VanDerWaalsContact C-N 3.33Å; K221-K223 PolarHBondContact O-N 3.42Å; K221-G224 PolarHBondContact O-N 3.28Å
222	S	66.1	Low	70.1	Confident	82 Å²	82	123.6 Å²	123.6	57%	0.573	64%	0.639	S	S	*	*	H	α-helix	trans	-64.5	-32.9	176.8	177.8	0	0	0	0	113.5	V218 R219	V218-S222 PolarHBondContact O-N 3.02Å; R219-S222 PolarHBondContact O-N 3.27Å
223	K	60.2	Low	69.4	Low	179 Å²	179	125.9 Å²	125.9	78%	0.778	65%	0.651	S	S	*	*	H	α-helix	trans	-75.9	-27.3	176.2	-75.7	-171.5	174.6	-173.7	0	113.4	R219 K220 K221 N225	R219-K223 PolarHBondContact O-N 3.43Å; K220-K223 PolarHBondContact O-N 2.93Å; K221-K223 VanDerWaalsContact C-N 3.33Å; K221-K223 PolarHBondContact O-N 3.42Å; K223-N225 PolarHBondContact O-N 3.29Å
224	G	60.2	Low	68.5	Low	60 Å²	60	131.1 Å²	131.1	62%	0.619	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-4.3	176.5	0	0	0	0	0	114.7	K220 K221	K220-G224 PolarHBondContact O-N 3.02Å; K221-G224 PolarHBondContact O-N 3.28Å
225	N	57.4	Low	67.5	Low	131 Å²	131	133.7 Å²	133.7	70%	0.701	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	13.9	178.3	-105.1	70.1	0	0	0	112.6	K223	K223-N225 PolarHBondContact O-N 3.29Å
226	V	49.5	Very low	66.3	Low	126 Å²	126	139.4 Å²	139.4	76%	0.764	70%	0.703	S	S	*	*			trans	-110.9	70.2	168.2	-171	0	0	0	0	107.3
227	E	44.9	Very low	64.9	Low	256 Å²	256	142.3 Å²	142.3	100%	1.196	72%	0.715	S	S	*	*			trans	-146	0	158.9	-147.4	175	-167.1	0	0	106.5

Retrieved 227 of 227 residues in 169.2 ms (Link to these results)

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