A0A3Q0KKB2_SCHMA Loading...

Cilia- and flagella-associated protein 299

May be involved in spermatogenesis.

AlphaFold DB , UniProt , Accession A0A3Q0KKB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 235 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	44.3	Very low	234 Å²	234	127.3 Å²	127.3	100%	1.153	73%	0.732	S	S	*	*				0	91.8	0	-84.1	-160.7	-179	0	0	102.8
2	D	37.5	Very low	46.2	Very low	147 Å²	147	125.9 Å²	125.9	79%	0.786	72%	0.72	S	S	*	*			trans	-113.2	89.8	-155.2	-58.2	-6.1	0	0	0	107.3	Q4	D2-Q4 PolarHBondContact O-N 2.88Å
3	D	41	Very low	48.2	Very low	167 Å²	167	122.2 Å²	122.2	89%	0.893	70%	0.697	S	S	*	*			trans	-87.9	102	171.9	-81.9	-32.5	0	0	0	109.2	N5	D3-N5 PolarHBondContact O-N 2.87Å
4	Q	39.1	Very low	49.9	Very low	180 Å²	180	113.7 Å²	113.7	84%	0.841	65%	0.649	S	S	*	*			trans	-73.8	106	175.2	-68.7	-178.2	-2.8	0	0	110.6	D2 S6	D2-Q4 PolarHBondContact O-N 2.88Å; Q4-S6 PolarHBondContact O-N 3.14Å
5	N	31.7	Very low	51.8	Low	155 Å²	155	106.3 Å²	106.3	83%	0.829	61%	0.607	S	S	*	*			trans	-82.4	90	169.8	-164.7	33.5	0	0	0	109.5	D3	D3-N5 PolarHBondContact O-N 2.87Å
6	S	35.2	Very low	53.4	Low	111 Å²	111	103.2 Å²	103.2	78%	0.776	60%	0.598	S	S	*	*			trans	-97.4	89.1	168.2	54.9	0	0	0	0	109.3	Q4	Q4-S6 PolarHBondContact O-N 3.14Å
7	S	41	Very low	55	Low	90 Å²	90	103.5 Å²	103.5	63%	0.629	59%	0.593	S	S	*	*			trans	-67.2	124.9	178.5	51	0	0	0	0	111.2	V9	S7-V9 PolarHBondContact O-N 2.9Å
8	S	44.4	Very low	56.6	Low	116 Å²	116	100.2 Å²	100.2	81%	0.811	57%	0.57	S	S	*	*			trans	-48.5	108	168.7	54.1	0	0	0	0	111.2	G10	S8-G10 PolarHBondContact O-N 3.33Å; S8-G10 VanDerWaalsContact O-N 3.12Å
9	V	53	Low	57.9	Low	81 Å²	81	103.6 Å²	103.6	49%	0.491	58%	0.581	S	S	.	*			trans	-60.8	114.3	168.1	178.8	0	0	0	0	106.4	S7 I11 D13 A14	S7-V9 PolarHBondContact O-N 2.9Å; V9-I11 PolarHBondContact O-N 2.97Å; V9-D13 HydrophobicContact CG1-CB 3.76Å; V9-A14 HydrophobicContact CG1-CB 4.48Å
10	G	61.3	Low	59.2	Low	44 Å²	44	101.2 Å²	101.2	45%	0.454	57%	0.569	S	S	.	*			trans	-54.8	140.9	-179.6	0	0	0	0	0	110.1	S8 D12 D13 A14	S8-G10 PolarHBondContact O-N 3.33Å; S8-G10 VanDerWaalsContact O-N 3.12Å; G10-D12 PolarHBondContact O-N 3.43Å; G10-D13 WeakPolarHBondContact O-CA 3.23Å; G10-D13 WeakPolarHBondContact O-CB 3.33Å; G10-D13 PolarHBondContact O-N 3.04Å; G10-A14 PolarHBondContact O-N 3.25Å
11	I	65.4	Low	60.4	Low	75 Å²	75	96.4 Å²	96.4	39%	0.385	54%	0.542	S	S	.	.	H	α-helix	trans	-47.9	-36.6	-175.8	-63	171.7	0	0	0	112.3	V9 A14 V15 L58 R66	V9-I11 PolarHBondContact O-N 2.97Å; I11-A14 PolarHBondContact O-N 2.65Å; I11-V15 WeakPolarHBondContact O-CG2 3.18Å; I11-V15 PolarHBondContact O-N 3.11Å; I11-L58 HydrophobicContact CG2-CD1 3.71Å; I11-L58 HydrophobicContact CG2-CD2 3.82Å; I11-L58 HydrophobicContact CG2-CG 4.31Å; I11-R66 VanDerWaalsContact CG2-NH1 3.29Å
12	D	66.8	Low	62.6	Low	111 Å²	111	88.7 Å²	88.7	59%	0.594	50%	0.503	S	S	*	.	H	α-helix	trans	-71.8	-29.2	179.8	-62.3	-27.8	0	0	0	113.4	G10 A16 R66	G10-D12 PolarHBondContact O-N 3.43Å; D12-A16 WeakPolarHBondContact O-CB 3.46Å; D12-A16 PolarHBondContact O-N 3.46Å; D12-A16 VanDerWaalsContact O-N 3.16Å; D12-R66 IonicContact OD1-NH1 2.86Å; D12-R66 PolarHBondContact OD1-NH1 3.24Å
13	D	72.7	Confident	64.8	Low	78 Å²	78	84.7 Å²	84.7	42%	0.417	48%	0.481	S	S	.	.	H	α-helix	trans	-73.9	-38.2	175.7	-162.3	21.9	0	0	0	110.4	V9 G10 A16 Q17	V9-D13 HydrophobicContact CG1-CB 3.76Å; G10-D13 WeakPolarHBondContact O-CA 3.23Å; G10-D13 WeakPolarHBondContact O-CB 3.33Å; G10-D13 PolarHBondContact O-N 3.04Å; D13-A16 PolarHBondContact O-N 3.38Å; D13-Q17 WeakPolarHBondContact O-CB 3.42Å; D13-Q17 WeakPolarHBondContact O-CG 3.33Å; D13-Q17 PolarHBondContact O-N 3.36Å; D13-Q17 PolarHBondContact OD1-NE2 2.93Å; D13-Q17 PolarHBondContact OD2-NE2 3.39Å
14	A	71.9	Confident	66.9	Low	3 Å²	3	78 Å²	78	3%	0.025	44%	0.444	C	S	.	.	H	α-helix	trans	-60.9	-46.6	172.2	0	0	0	0	0	112.3	V9 G10 I11 A16 Q17 F18 Y24	V9-A14 HydrophobicContact CG1-CB 4.48Å; G10-A14 PolarHBondContact O-N 3.25Å; I11-A14 PolarHBondContact O-N 2.65Å; A14-A16 PolarHBondContact O-N 2.93Å; A14-Q17 PolarHBondContact O-N 3.26Å; A14-F18 HydrophobicContact CB-CD2 4.18Å; A14-F18 HydrophobicContact CB-CE2 4.27Å; A14-F18 WeakPolarHBondContact O-CD2 3.44Å; A14-F18 PolarHBondContact O-N 3.08Å; A14-Y24 HydrophobicContact CB-CD2 3.75Å; A14-Y24 HydrophobicContact CB-CE2 3.69Å
15	V	78	Confident	69	Low	3 Å²	3	69.5 Å²	69.5	2%	0.018	40%	0.404	C	S	.	.	H	α-helix	trans	-64.6	-29.8	177.9	175.7	0	0	0	0	112	I11 L58 F63 R66 K67	I11-V15 WeakPolarHBondContact O-CG2 3.18Å; I11-V15 PolarHBondContact O-N 3.11Å; V15-L58 HydrophobicContact CG2-CD2 3.95Å; V15-F63 HydrophobicContact CG2-CD2 3.89Å; V15-F63 HydrophobicContact CG2-CE2 4.08Å; V15-R66 HydrophobicContact CG1-CB 4.03Å; V15-R66 HydrophobicContact CG2-CB 4.07Å; V15-K67 HydrophobicContact CG1-CB 4.09Å; V15-K67 HydrophobicContact CG1-CD 3.96Å; V15-K67 WeakPolarHBondContact O-CD 3.49Å; V15-K67 PolarHBondContact O-NZ 3.49Å
16	A	77.6	Confident	71.5	Confident	56 Å²	56	64.3 Å²	64.3	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-75.4	-39.4	175.9	0	0	0	0	0	112.5	D12 D13 A14	D12-A16 WeakPolarHBondContact O-CB 3.46Å; D12-A16 PolarHBondContact O-N 3.46Å; D12-A16 VanDerWaalsContact O-N 3.16Å; D13-A16 PolarHBondContact O-N 3.38Å; A14-A16 PolarHBondContact O-N 2.93Å
17	Q	81.3	Confident	73.8	Confident	109 Å²	109	62 Å²	62	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-80.4	-39.5	-173.6	-71.8	176	18.3	0	0	113.9	D13 A14	D13-Q17 WeakPolarHBondContact O-CB 3.42Å; D13-Q17 WeakPolarHBondContact O-CG 3.33Å; D13-Q17 PolarHBondContact O-N 3.36Å; D13-Q17 PolarHBondContact OD1-NE2 2.93Å; D13-Q17 PolarHBondContact OD2-NE2 3.39Å; A14-Q17 PolarHBondContact O-N 3.26Å
18	F	83.4	Confident	75.6	Confident	43 Å²	43	59.8 Å²	59.8	19%	0.189	34%	0.34	C	S	.	.			trans	-96.7	134.8	-173.1	-60.1	-65.9	0	0	0	112	A14 D23 Y24 S27 F63 K67	A14-F18 HydrophobicContact CB-CD2 4.18Å; A14-F18 HydrophobicContact CB-CE2 4.27Å; A14-F18 WeakPolarHBondContact O-CD2 3.44Å; A14-F18 PolarHBondContact O-N 3.08Å; F18-D23 HydrophobicContact CB-CB 4.1Å; F18-D23 HydrophobicContact CD1-CB 3.97Å; F18-D23 HydrophobicContact CG-CB 4.41Å; F18-Y24 AromaticContact CD2-CD2 3.83Å; F18-Y24 HydrophobicContact CD2-CD2 3.83Å; F18-Y24 HydrophobicContact CD2-CG 4.33Å; F18-Y24 AromaticContact CE2-CD2 3.98Å; F18-Y24 HydrophobicContact CE2-CD2 3.98Å; F18-S27 WeakPolarHBondContact CZ-OG 3.34Å; F18-F63 HydrophobicContact CB-CZ 4.22Å; F18-K67 PolarHBondContact O-NZ 3.17Å
19	E	80.3	Confident	77.4	Confident	165 Å²	165	55.3 Å²	55.3	77%	0.771	31%	0.307	S	S	*	.	S	Bend	trans	-73.7	-46.2	-179.9	-68.6	-168.4	168.3	0	0	111.3
20	T	84.5	Confident	78.8	Confident	55 Å²	55	54.3 Å²	54.3	34%	0.337	30%	0.301	S	S	.	.	S	Bend	trans	-114.8	165.4	-179.6	70.1	0	0	0	0	111.7	E22 D23 Y24 F63	T20-E22 VanDerWaalsContact C-N 3.29Å; T20-E22 WeakPolarHBondContact CB-OE2 3.2Å; T20-D23 PolarHBondContact N-OD2 3.07Å; T20-D23 PolarHBondContact OG1-N 3.25Å; T20-D23 VanDerWaalsContact OG1-N 3.15Å; T20-D23 PolarHBondContact OG1-OD1 3.49Å; T20-D23 PolarHBondContact OG1-OD2 2.75Å; T20-Y24 PolarHBondContact O-N 3.49Å; T20-F63 WeakPolarHBondContact O-CZ 3.35Å
21	Y	84.1	Confident	79.8	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-71.7	-31.7	175.6	-178.2	-110.5	0	0	0	110.9	Y24 L25 L58 R60 F63	Y21-Y24 AromaticContact CD2-CD1 3.93Å; Y21-Y24 HydrophobicContact CD2-CD1 3.93Å; Y21-Y24 AromaticContact CE2-CD1 3.74Å; Y21-Y24 HydrophobicContact CE2-CD1 3.74Å; Y21-Y24 HydrophobicContact CE2-CE1 4.07Å; Y21-Y24 WeakPolarHBondContact O-CB 3.38Å; Y21-Y24 PolarHBondContact O-N 3.29Å; Y21-L25 HydrophobicContact CD1-CD1 3.95Å; Y21-L25 HydrophobicContact CD1-CG 4.2Å; Y21-L25 HydrophobicContact CE1-CD1 3.64Å; Y21-L25 HydrophobicContact CE1-CD2 4.12Å; Y21-L25 HydrophobicContact CE1-CG 3.92Å; Y21-L25 WeakPolarHBondContact O-CG 3.36Å; Y21-L25 PolarHBondContact O-N 3.47Å; Y21-L58 WeakPolarHBondContact CE2-O 3.35Å; Y21-L58 VanDerWaalsContact CZ-O 3.3Å; Y21-L58 PolarHBondContact OH-O 3.48Å; Y21-R60 HydrophobicContact CD1-CB 3.98Å; Y21-R60 HydrophobicContact CD1-CG 3.92Å; Y21-R60 HydrophobicContact CE1-CB 3.75Å; Y21-R60 HydrophobicContact CE1-CG 4.2Å; Y21-R60 HydrophobicContact CG-CB 4.44Å; Y21-R60 HydrophobicContact CG-CG 4.27Å; Y21-F63 HydrophobicContact CD2-CB 3.47Å; Y21-F63 VanDerWaalsContact CD2-CB 3.47Å; Y21-F63 AromaticContact CD2-CD1 3.97Å; Y21-F63 HydrophobicContact CD2-CD1 3.97Å; Y21-F63 AromaticContact CD2-CD2 3.9Å; Y21-F63 HydrophobicContact CD2-CD2 3.9Å; Y21-F63 AromaticContact CD2-CG 3.52Å; Y21-F63 HydrophobicContact CD2-CG 3.52Å; Y21-F63 HydrophobicContact CE2-CB 3.95Å; Y21-F63 HydrophobicContact CE2-CG 4.35Å; Y21-F63 HydrophobicContact CG-CB 4.42Å; Y21-F63 HydrophobicContact CG-CD1 4.39Å; Y21-F63 HydrophobicContact CG-CG 4.36Å
22	E	84.4	Confident	80.5	Confident	71 Å²	71	56.4 Å²	56.4	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-47.7	173.2	-64.8	73.6	-161.1	0	0	110.7	T20 Y24 L25 D26 R60	T20-E22 VanDerWaalsContact C-N 3.29Å; T20-E22 WeakPolarHBondContact CB-OE2 3.2Å; E22-Y24 PolarHBondContact O-N 2.89Å; E22-L25 WeakPolarHBondContact O-CB 3.06Å; E22-L25 PolarHBondContact O-N 3.31Å; E22-D26 PolarHBondContact O-N 2.72Å; E22-R60 IonicContact OE1-CZ 3.7Å; E22-R60 IonicContact OE1-NH1 2.72Å; E22-R60 PolarHBondContact OE1-NH1 3.28Å; E22-R60 IonicContact OE1-NH2 3.8Å
23	D	84.5	Confident	81.2	Confident	63 Å²	63	52.2 Å²	52.2	34%	0.337	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-36.7	177.1	-57.4	-40.9	0	0	0	112.2	F18 T20 D26 S27	F18-D23 HydrophobicContact CB-CB 4.1Å; F18-D23 HydrophobicContact CD1-CB 3.97Å; F18-D23 HydrophobicContact CG-CB 4.41Å; T20-D23 PolarHBondContact N-OD2 3.07Å; T20-D23 PolarHBondContact OG1-N 3.25Å; T20-D23 VanDerWaalsContact OG1-N 3.15Å; T20-D23 PolarHBondContact OG1-OD1 3.49Å; T20-D23 PolarHBondContact OG1-OD2 2.75Å; D23-D26 PolarHBondContact O-N 2.88Å; D23-S27 PolarHBondContact O-N 2.91Å
24	Y	84.2	Confident	81.7	Confident	28 Å²	28	52.4 Å²	52.4	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-41.3	175.3	165.8	-109.2	0	0	0	112	A14 F18 T20 Y21 E22 S27 Q28 L58 F63	A14-Y24 HydrophobicContact CB-CD2 3.75Å; A14-Y24 HydrophobicContact CB-CE2 3.69Å; F18-Y24 AromaticContact CD2-CD2 3.83Å; F18-Y24 HydrophobicContact CD2-CD2 3.83Å; F18-Y24 HydrophobicContact CD2-CG 4.33Å; F18-Y24 AromaticContact CE2-CD2 3.98Å; F18-Y24 HydrophobicContact CE2-CD2 3.98Å; T20-Y24 PolarHBondContact O-N 3.49Å; Y21-Y24 AromaticContact CD2-CD1 3.93Å; Y21-Y24 HydrophobicContact CD2-CD1 3.93Å; Y21-Y24 AromaticContact CE2-CD1 3.74Å; Y21-Y24 HydrophobicContact CE2-CD1 3.74Å; Y21-Y24 HydrophobicContact CE2-CE1 4.07Å; Y21-Y24 WeakPolarHBondContact O-CB 3.38Å; Y21-Y24 PolarHBondContact O-N 3.29Å; E22-Y24 PolarHBondContact O-N 2.89Å; Y24-S27 PolarHBondContact O-N 3.43Å; Y24-S27 PolarHBondContact O-OG 2.99Å; Y24-Q28 VanDerWaalsContact CE2-NE2 3.29Å; Y24-Q28 PolarHBondContact OH-NE2 2.86Å; Y24-Q28 VanDerWaalsContact OH-NE2 3.09Å; Y24-L58 HydrophobicContact CE1-CB 4.18Å; Y24-F63 HydrophobicContact CD1-CD2 4.41Å; Y24-F63 HydrophobicContact CG-CD2 4.42Å; Y24-F63 HydrophobicContact CG-CE2 4.21Å
25	L	83.4	Confident	82.2	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-43.7	174.4	-66.9	179.3	0	0	0	110.8	Y21 E22 S27 Q28 I29 R44 V47 E48	Y21-L25 HydrophobicContact CD1-CD1 3.95Å; Y21-L25 HydrophobicContact CD1-CG 4.2Å; Y21-L25 HydrophobicContact CE1-CD1 3.64Å; Y21-L25 HydrophobicContact CE1-CD2 4.12Å; Y21-L25 HydrophobicContact CE1-CG 3.92Å; Y21-L25 WeakPolarHBondContact O-CG 3.36Å; Y21-L25 PolarHBondContact O-N 3.47Å; E22-L25 WeakPolarHBondContact O-CB 3.06Å; E22-L25 PolarHBondContact O-N 3.31Å; L25-S27 PolarHBondContact O-N 3.46Å; L25-Q28 WeakPolarHBondContact O-CB 3.27Å; L25-Q28 PolarHBondContact O-N 2.83Å; L25-I29 WeakPolarHBondContact O-CG1 3.35Å; L25-I29 PolarHBondContact O-N 3.41Å; L25-R44 HydrophobicContact CB-CG 4.11Å; L25-R44 HydrophobicContact CD1-CB 4.02Å; L25-R44 HydrophobicContact CD1-CG 4.29Å; L25-V47 HydrophobicContact CD2-CB 4.25Å; L25-V47 HydrophobicContact CD2-CG1 3.7Å; L25-E48 HydrophobicContact CD1-CB 4.48Å; L25-E48 HydrophobicContact CD2-CB 4.35Å
26	D	83.6	Confident	82.5	Confident	45 Å²	45	67.4 Å²	67.4	24%	0.241	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-32.8	-179.1	-64.3	-16.8	0	0	0	111.9	E22 D23 Q28 I29 R44	E22-D26 PolarHBondContact O-N 2.72Å; D23-D26 PolarHBondContact O-N 2.88Å; D26-Q28 PolarHBondContact O-N 3.49Å; D26-I29 PolarHBondContact O-N 2.91Å; D26-R44 IonicContact OD1-CZ 3.38Å; D26-R44 IonicContact OD1-NE 2.72Å; D26-R44 PolarHBondContact OD1-NE 3.15Å; D26-R44 IonicContact OD1-NH2 3.25Å; D26-R44 PolarHBondContact OD1-NH2 2.78Å; D26-R44 IonicContact OD2-CZ 3.61Å; D26-R44 IonicContact OD2-NE 3.59Å; D26-R44 IonicContact OD2-NH2 2.78Å; D26-R44 PolarHBondContact OD2-NH2 3.25Å
27	S	83.5	Confident	82.8	Confident	64 Å²	64	67.4 Å²	67.4	45%	0.448	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.1	173.7	81.1	0	0	0	0	114.4	F18 D23 Y24 L25	F18-S27 WeakPolarHBondContact CZ-OG 3.34Å; D23-S27 PolarHBondContact O-N 2.91Å; Y24-S27 PolarHBondContact O-N 3.43Å; Y24-S27 PolarHBondContact O-OG 2.99Å; L25-S27 PolarHBondContact O-N 3.46Å
28	Q	79.5	Confident	82.8	Confident	43 Å²	43	70.9 Å²	70.9	20%	0.201	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-12.3	178.7	-62.8	-177.8	53.4	0	0	113.1	Y24 L25 D26 V47	Y24-Q28 VanDerWaalsContact CE2-NE2 3.29Å; Y24-Q28 PolarHBondContact OH-NE2 2.86Å; Y24-Q28 VanDerWaalsContact OH-NE2 3.09Å; L25-Q28 WeakPolarHBondContact O-CB 3.27Å; L25-Q28 PolarHBondContact O-N 2.83Å; D26-Q28 PolarHBondContact O-N 3.49Å; Q28-V47 HydrophobicContact CB-CG1 3.87Å; Q28-V47 HydrophobicContact CB-CG2 4.36Å; Q28-V47 HydrophobicContact CG-CG1 4.43Å
29	I	81.6	Confident	82.8	Confident	21 Å²	21	72.3 Å²	72.3	11%	0.108	37%	0.374	C	S	.	.			trans	-78.8	123.8	177.3	-62.7	172.3	0	0	0	108.1	L25 D26 D33 L34 A43 R44 V47	L25-I29 WeakPolarHBondContact O-CG1 3.35Å; L25-I29 PolarHBondContact O-N 3.41Å; D26-I29 PolarHBondContact O-N 2.91Å; I29-D33 HydrophobicContact CG2-CB 3.91Å; I29-L34 HydrophobicContact CG2-CD1 4.02Å; I29-L34 HydrophobicContact CG2-CD2 4.44Å; I29-L34 HydrophobicContact CG2-CG 3.81Å; I29-A43 HydrophobicContact CD1-CB 3.74Å; I29-A43 HydrophobicContact CG1-CB 4.07Å; I29-A43 HydrophobicContact CG2-CB 3.96Å; I29-R44 HydrophobicContact CD1-CG 3.72Å; I29-V47 HydrophobicContact CG1-CG2 4.06Å
30	T	82.1	Confident	83	Confident	60 Å²	60	68.6 Å²	68.6	37%	0.368	36%	0.357	S	S	.	.			trans	-94.1	160.5	175.8	76.2	0	0	0	0	111.2	T32 D33 L34 R52	T30-T32 PolarHBondContact O-N 3.28Å; T30-T32 PolarHBondContact OG1-N 2.9Å; T30-D33 PolarHBondContact N-OD2 2.83Å; T30-D33 WeakPolarHBondContact O-CB 3.42Å; T30-D33 PolarHBondContact O-N 3.43Å; T30-L34 PolarHBondContact O-N 3.2Å; T30-R52 VanDerWaalsContact CG2-NH2 3.29Å; T30-R52 PolarHBondContact OG1-NH2 2.83Å
31	A	82.3	Confident	83	Confident	82 Å²	82	71.9 Å²	71.9	68%	0.678	37%	0.368	S	S	*	.	H	α-helix	trans	-55.4	-27.1	174.8	0	0	0	0	0	113.2	F35	A31-F35 WeakPolarHBondContact O-CB 3.35Å; A31-F35 PolarHBondContact O-N 3.36Å
32	T	81.8	Confident	82.9	Confident	81 Å²	81	74.3 Å²	74.3	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-69	-36.9	175.1	-46.3	0	0	0	0	112.1	T30 F35 Y36	T30-T32 PolarHBondContact O-N 3.28Å; T30-T32 PolarHBondContact OG1-N 2.9Å; T32-F35 PolarHBondContact O-N 3.28Å; T32-Y36 HydrophobicContact CG2-CD2 3.69Å; T32-Y36 HydrophobicContact CG2-CE2 3.51Å; T32-Y36 WeakPolarHBondContact O-CD2 3.17Å; T32-Y36 PolarHBondContact O-N 2.83Å; T32-Y36 VanDerWaalsContact O-N 3.1Å
33	D	81.6	Confident	82.9	Confident	23 Å²	23	71 Å²	71	12%	0.123	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-48.5	174.9	-64	-27.4	0	0	0	110.7	I29 T30 F35 Y36 L37 R52	I29-D33 HydrophobicContact CG2-CB 3.91Å; T30-D33 PolarHBondContact N-OD2 2.83Å; T30-D33 WeakPolarHBondContact O-CB 3.42Å; T30-D33 PolarHBondContact O-N 3.43Å; D33-F35 PolarHBondContact O-N 3.32Å; D33-Y36 PolarHBondContact O-N 3.1Å; D33-Y36 VanDerWaalsContact O-N 3.17Å; D33-L37 HydrophobicContact CB-CD1 4.15Å; D33-L37 VanDerWaalsContact O-CB 3.27Å; D33-L37 WeakPolarHBondContact O-CB 3.35Å; D33-L37 WeakPolarHBondContact O-CG 3.49Å; D33-L37 PolarHBondContact O-N 3.48Å; D33-R52 IonicContact OD1-CZ 2.87Å; D33-R52 IonicContact OD1-NE 3.03Å; D33-R52 PolarHBondContact OD1-NE 2.99Å; D33-R52 IonicContact OD1-NH1 3.63Å; D33-R52 IonicContact OD1-NH2 2.8Å; D33-R52 PolarHBondContact OD1-NH2 3.03Å; D33-R52 IonicContact OD2-CZ 3.13Å; D33-R52 IonicContact OD2-NE 3.01Å; D33-R52 PolarHBondContact OD2-NE 2.72Å; D33-R52 IonicContact OD2-NH2 2.58Å; D33-R52 PolarHBondContact OD2-NH2 3.18Å
34	L	83	Confident	82.9	Confident	83 Å²	83	70.6 Å²	70.6	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-35.5	177.9	-74	155.6	0	0	0	111.2	I29 T30 E38 E40	I29-L34 HydrophobicContact CG2-CD1 4.02Å; I29-L34 HydrophobicContact CG2-CD2 4.44Å; I29-L34 HydrophobicContact CG2-CG 3.81Å; T30-L34 PolarHBondContact O-N 3.2Å; L34-E38 WeakPolarHBondContact O-CA 3.49Å; L34-E38 PolarHBondContact O-N 3.17Å; L34-E40 HydrophobicContact CD2-CB 4.42Å
35	F	82.6	Confident	82.8	Confident	146 Å²	146	74.5 Å²	74.5	64%	0.64	38%	0.381	S	S	*	.	H	α-helix	trans	-68.9	-39.8	176.6	-178.2	-96.9	0	0	0	113.5	A31 T32 D33	A31-F35 WeakPolarHBondContact O-CB 3.35Å; A31-F35 PolarHBondContact O-N 3.36Å; T32-F35 PolarHBondContact O-N 3.28Å; D33-F35 PolarHBondContact O-N 3.32Å
36	Y	83.6	Confident	82.7	Confident	174 Å²	174	77.4 Å²	77.4	68%	0.682	40%	0.396	S	S	*	.	H	α-helix	trans	-90	-31.1	-176.2	-76.3	-65.8	0	0	0	114.3	T32 D33	T32-Y36 HydrophobicContact CG2-CD2 3.69Å; T32-Y36 HydrophobicContact CG2-CE2 3.51Å; T32-Y36 WeakPolarHBondContact O-CD2 3.17Å; T32-Y36 PolarHBondContact O-N 2.83Å; T32-Y36 VanDerWaalsContact O-N 3.1Å; D33-Y36 PolarHBondContact O-N 3.1Å; D33-Y36 VanDerWaalsContact O-N 3.17Å
37	L	84	Confident	82.5	Confident	57 Å²	57	75.3 Å²	75.3	30%	0.298	39%	0.385	S	S	.	.	H	α-helix	trans	-89.6	-25.7	-177.5	-62.3	170.4	0	0	0	111.9	D33 D39 V42 A43 L46	D33-L37 HydrophobicContact CB-CD1 4.15Å; D33-L37 VanDerWaalsContact O-CB 3.27Å; D33-L37 WeakPolarHBondContact O-CB 3.35Å; D33-L37 WeakPolarHBondContact O-CG 3.49Å; D33-L37 PolarHBondContact O-N 3.48Å; L37-D39 PolarHBondContact O-N 3.1Å; L37-V42 HydrophobicContact CD2-CG1 4.09Å; L37-A43 HydrophobicContact CD1-CB 3.66Å; L37-L46 HydrophobicContact CD1-CD1 3.64Å; L37-L46 HydrophobicContact CD2-CD1 3.71Å; L37-L46 HydrophobicContact CG-CD1 4.35Å
38	E	80.6	Confident	82.4	Confident	182 Å²	182	75.8 Å²	75.8	85%	0.85	38%	0.38	S	S	*	.			trans	56.1	-0.9	-174.7	-59.4	-177	169.7	0	0	114.9	L34	L34-E38 WeakPolarHBondContact O-CA 3.49Å; L34-E38 PolarHBondContact O-N 3.17Å
39	D	84.6	Confident	82.3	Confident	72 Å²	72	79.5 Å²	79.5	39%	0.385	40%	0.401	S	S	.	.			trans	-135.1	120.3	-176	-170.9	-23.5	0	0	0	110.5	L37 E41 V42 A43	L37-D39 PolarHBondContact O-N 3.1Å; D39-E41 PolarHBondContact OD1-N 2.86Å; D39-V42 HydrophobicContact CB-CB 4.05Å; D39-V42 HydrophobicContact CB-CG2 3.78Å; D39-V42 PolarHBondContact O-N 3.09Å; D39-A43 PolarHBondContact O-N 2.8Å; D39-A43 VanDerWaalsContact O-N 3.1Å
40	E	83.5	Confident	81.9	Confident	87 Å²	87	80.4 Å²	80.4	41%	0.407	42%	0.415	S	S	.	.	H	α-helix	trans	-68.5	-34.5	-179.5	-169.9	-179.1	171.2	0	0	112.3	L34 A43 R44	L34-E40 HydrophobicContact CD2-CB 4.42Å; E40-A43 WeakPolarHBondContact O-CB 3.5Å; E40-A43 PolarHBondContact O-N 2.8Å; E40-R44 WeakPolarHBondContact O-CG 3.43Å; E40-R44 PolarHBondContact O-N 3.01Å; E40-R44 IonicContact OE1-CZ 3.39Å; E40-R44 IonicContact OE1-NH1 3.99Å; E40-R44 IonicContact OE1-NH2 2.67Å; E40-R44 PolarHBondContact OE1-NH2 2.67Å
41	E	83.6	Confident	81.2	Confident	124 Å²	124	86.2 Å²	86.2	58%	0.579	43%	0.431	S	S	*	.	H	α-helix	trans	-68.6	-39	177.5	-67.7	-166.4	166.2	0	0	111.2	D39 A43 R44 Q45	D39-E41 PolarHBondContact OD1-N 2.86Å; E41-A43 VanDerWaalsContact C-N 3.33Å; E41-R44 PolarHBondContact O-N 3.03Å; E41-Q45 WeakPolarHBondContact O-CG 3.39Å; E41-Q45 PolarHBondContact O-N 3.5Å
42	V	83.7	Confident	80.3	Confident	53 Å²	53	86.2 Å²	86.2	32%	0.321	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-41.8	174.7	178.8	0	0	0	0	110.2	L37 D39 Q45 L46	L37-V42 HydrophobicContact CD2-CG1 4.09Å; D39-V42 HydrophobicContact CB-CB 4.05Å; D39-V42 HydrophobicContact CB-CG2 3.78Å; D39-V42 PolarHBondContact O-N 3.09Å; V42-Q45 PolarHBondContact O-N 3.35Å; V42-L46 HydrophobicContact CG1-CD1 4.32Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 2.58Å
43	A	83.3	Confident	78.8	Confident	1 Å²	1	87 Å²	87	1%	0.008	44%	0.438	C	S	.	.	H	α-helix	trans	-60.6	-46.5	175	0	0	0	0	0	111.9	I29 L37 D39 E40 E41 Q45 L46 V47	I29-A43 HydrophobicContact CD1-CB 3.74Å; I29-A43 HydrophobicContact CG1-CB 4.07Å; I29-A43 HydrophobicContact CG2-CB 3.96Å; L37-A43 HydrophobicContact CD1-CB 3.66Å; D39-A43 PolarHBondContact O-N 2.8Å; D39-A43 VanDerWaalsContact O-N 3.1Å; E40-A43 WeakPolarHBondContact O-CB 3.5Å; E40-A43 PolarHBondContact O-N 2.8Å; E41-A43 VanDerWaalsContact C-N 3.33Å; A43-Q45 PolarHBondContact O-N 2.83Å; A43-L46 PolarHBondContact O-N 2.84Å; A43-V47 WeakPolarHBondContact O-CG2 3.36Å; A43-V47 PolarHBondContact O-N 2.93Å; A43-V47 VanDerWaalsContact O-N 3.08Å
44	R	84.7	Confident	77.6	Confident	55 Å²	55	89.3 Å²	89.3	21%	0.208	46%	0.456	C	S	.	.	H	α-helix	trans	-57	-46.3	174.5	-74.8	177.7	-176.7	137.3	0.9	112	L25 D26 I29 E40 E41 L46 V47 E48	L25-R44 HydrophobicContact CB-CG 4.11Å; L25-R44 HydrophobicContact CD1-CB 4.02Å; L25-R44 HydrophobicContact CD1-CG 4.29Å; D26-R44 IonicContact OD1-CZ 3.38Å; D26-R44 IonicContact OD1-NE 2.72Å; D26-R44 PolarHBondContact OD1-NE 3.15Å; D26-R44 IonicContact OD1-NH2 3.25Å; D26-R44 PolarHBondContact OD1-NH2 2.78Å; D26-R44 IonicContact OD2-CZ 3.61Å; D26-R44 IonicContact OD2-NE 3.59Å; D26-R44 IonicContact OD2-NH2 2.78Å; D26-R44 PolarHBondContact OD2-NH2 3.25Å; I29-R44 HydrophobicContact CD1-CG 3.72Å; E40-R44 WeakPolarHBondContact O-CG 3.43Å; E40-R44 PolarHBondContact O-N 3.01Å; E40-R44 IonicContact OE1-CZ 3.39Å; E40-R44 IonicContact OE1-NH1 3.99Å; E40-R44 IonicContact OE1-NH2 2.67Å; E40-R44 PolarHBondContact OE1-NH2 2.67Å; E41-R44 PolarHBondContact O-N 3.03Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.04Å; R44-V47 PolarHBondContact O-N 2.71Å; R44-E48 WeakPolarHBondContact O-CB 3.18Å; R44-E48 PolarHBondContact O-N 3.41Å
45	Q	81.9	Confident	76.2	Confident	110 Å²	110	89 Å²	89	51%	0.514	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-39.7	179.1	-73.7	175.7	14.8	0	0	112.3	E41 V42 A43 E48 L49	E41-Q45 WeakPolarHBondContact O-CG 3.39Å; E41-Q45 PolarHBondContact O-N 3.5Å; V42-Q45 PolarHBondContact O-N 3.35Å; A43-Q45 PolarHBondContact O-N 2.83Å; Q45-E48 PolarHBondContact O-N 3.4Å; Q45-L49 WeakPolarHBondContact O-CB 3.37Å; Q45-L49 VanDerWaalsContact O-CG 3.23Å; Q45-L49 WeakPolarHBondContact O-CG 3.33Å; Q45-L49 PolarHBondContact O-N 3.34Å
46	L	81.3	Confident	75.1	Confident	63 Å²	63	91.1 Å²	91.1	33%	0.33	49%	0.485	S	S	.	.	H	α-helix	trans	-67.6	-36.9	177.8	-71.4	173.6	0	0	0	112.5	L37 V42 A43 R44 G50 Y51	L37-L46 HydrophobicContact CD1-CD1 3.64Å; L37-L46 HydrophobicContact CD2-CD1 3.71Å; L37-L46 HydrophobicContact CG-CD1 4.35Å; V42-L46 HydrophobicContact CG1-CD1 4.32Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 2.58Å; A43-L46 PolarHBondContact O-N 2.84Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.04Å; L46-G50 PolarHBondContact O-N 3.26Å; L46-Y51 HydrophobicContact CD2-CD2 4.36Å; L46-Y51 PolarHBondContact O-N 3.25Å
47	V	80.5	Confident	74.2	Confident	1 Å²	1	84 Å²	84	1%	0.006	46%	0.459	C	S	.	.	H	α-helix	trans	-65.5	-49.9	171.8	175.4	0	0	0	0	110	L25 Q28 I29 A43 R44 L49 G50 R52 T57	L25-V47 HydrophobicContact CD2-CB 4.25Å; L25-V47 HydrophobicContact CD2-CG1 3.7Å; Q28-V47 HydrophobicContact CB-CG1 3.87Å; Q28-V47 HydrophobicContact CB-CG2 4.36Å; Q28-V47 HydrophobicContact CG-CG1 4.43Å; I29-V47 HydrophobicContact CG1-CG2 4.06Å; A43-V47 WeakPolarHBondContact O-CG2 3.36Å; A43-V47 PolarHBondContact O-N 2.93Å; A43-V47 VanDerWaalsContact O-N 3.08Å; R44-V47 PolarHBondContact O-N 2.71Å; V47-L49 VanDerWaalsContact C-N 3.26Å; V47-L49 PolarHBondContact O-N 2.84Å; V47-G50 PolarHBondContact O-N 3.49Å; V47-R52 HydrophobicContact CG2-CG 4.12Å; V47-T57 HydrophobicContact CG1-CG2 4.21Å; V47-T57 WeakPolarHBondContact O-CG2 3.27Å; V47-T57 PolarHBondContact O-OG1 3.48Å
48	E	80.2	Confident	73.7	Confident	74 Å²	74	81.5 Å²	81.5	35%	0.346	45%	0.446	S	S	.	.	H	α-helix	trans	-58.4	-37.5	180	-173.9	166.7	-161.9	0	0	112.1	L25 R44 Q45 G50 T57 R60	L25-E48 HydrophobicContact CD1-CB 4.48Å; L25-E48 HydrophobicContact CD2-CB 4.35Å; R44-E48 WeakPolarHBondContact O-CB 3.18Å; R44-E48 PolarHBondContact O-N 3.41Å; Q45-E48 PolarHBondContact O-N 3.4Å; E48-G50 VanDerWaalsContact C-N 3.26Å; E48-G50 PolarHBondContact O-N 3.22Å; E48-T57 PolarHBondContact O-OG1 3.04Å; E48-T57 VanDerWaalsContact O-OG1 3.11Å; E48-R60 IonicContact OE1-NE 3.79Å; E48-R60 IonicContact OE2-NH2 3.96Å
49	L	77.1	Confident	73.7	Confident	121 Å²	121	79.3 Å²	79.3	63%	0.634	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.6	176.3	-70.8	169.6	0	0	0	114.4	Q45 V47 Y51	Q45-L49 WeakPolarHBondContact O-CB 3.37Å; Q45-L49 VanDerWaalsContact O-CG 3.23Å; Q45-L49 WeakPolarHBondContact O-CG 3.33Å; Q45-L49 PolarHBondContact O-N 3.34Å; V47-L49 VanDerWaalsContact C-N 3.26Å; V47-L49 PolarHBondContact O-N 2.84Å; L49-Y51 HydrophobicContact CB-CD2 3.59Å; L49-Y51 HydrophobicContact CB-CE2 3.83Å; L49-Y51 HydrophobicContact CD1-CD2 4.44Å; L49-Y51 HydrophobicContact CD1-CE2 4.27Å
50	G	73.5	Confident	73.7	Confident	39 Å²	39	79.9 Å²	79.9	40%	0.402	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	20.5	176.8	0	0	0	0	0	114.7	L46 V47 E48 R52	L46-G50 PolarHBondContact O-N 3.26Å; V47-G50 PolarHBondContact O-N 3.49Å; E48-G50 VanDerWaalsContact C-N 3.26Å; E48-G50 PolarHBondContact O-N 3.22Å; G50-R52 VanDerWaalsContact C-N 3.26Å; G50-R52 PolarHBondContact O-N 3.44Å
51	Y	66.8	Low	73.7	Confident	182 Å²	182	83.5 Å²	83.5	71%	0.714	45%	0.448	S	S	*	.			trans	-77	-11.8	177.6	-78.5	-79	0	0	0	113.4	L46 L49	L46-Y51 HydrophobicContact CD2-CD2 4.36Å; L46-Y51 PolarHBondContact O-N 3.25Å; L49-Y51 HydrophobicContact CB-CD2 3.59Å; L49-Y51 HydrophobicContact CB-CE2 3.83Å; L49-Y51 HydrophobicContact CD1-CD2 4.44Å; L49-Y51 HydrophobicContact CD1-CE2 4.27Å
52	R	63.3	Low	73.7	Confident	82 Å²	82	81.8 Å²	81.8	31%	0.309	44%	0.44	S	S	.	.	S	Bend	trans	-81.6	123.4	163.2	-74.6	-62.9	-139.9	148.1	16.9	108.7	T30 D33 V47 G50 S54	T30-R52 VanDerWaalsContact CG2-NH2 3.29Å; T30-R52 PolarHBondContact OG1-NH2 2.83Å; D33-R52 IonicContact OD1-CZ 2.87Å; D33-R52 IonicContact OD1-NE 3.03Å; D33-R52 PolarHBondContact OD1-NE 2.99Å; D33-R52 IonicContact OD1-NH1 3.63Å; D33-R52 IonicContact OD1-NH2 2.8Å; D33-R52 PolarHBondContact OD1-NH2 3.03Å; D33-R52 IonicContact OD2-CZ 3.13Å; D33-R52 IonicContact OD2-NE 3.01Å; D33-R52 PolarHBondContact OD2-NE 2.72Å; D33-R52 IonicContact OD2-NH2 2.58Å; D33-R52 PolarHBondContact OD2-NH2 3.18Å; V47-R52 HydrophobicContact CG2-CG 4.12Å; G50-R52 VanDerWaalsContact C-N 3.26Å; G50-R52 PolarHBondContact O-N 3.44Å; R52-S54 PolarHBondContact O-N 3.24Å
53	G	52	Low	73.7	Confident	97 Å²	97	79.3 Å²	79.3	100%	1	43%	0.425	S	S	*	.	S	Bend	trans	-65.8	33.2	-168.6	0	0	0	0	0	118.1
54	S	55	Low	73.8	Confident	72 Å²	72	83.1 Å²	83.1	50%	0.503	45%	0.445	S	S	.	.	S	Bend	trans	-118.3	113.3	168.7	49.9	0	0	0	0	107.7	R52	R52-S54 PolarHBondContact O-N 3.24Å
55	G	53.7	Low	73.9	Confident	78 Å²	78	84.3 Å²	84.3	80%	0.804	46%	0.462	S	S	*	.	S	Bend	trans	-52.1	162.8	-164.9	0	0	0	0	0	117.3	T57	G55-T57 PolarHBondContact O-N 2.68Å
56	E	59.9	Low	74	Confident	190 Å²	190	83.3 Å²	83.3	89%	0.888	45%	0.453	S	S	*	.			trans	26.8	84.9	175	-98.9	179.4	164.9	0	0	114.8
57	T	65.4	Low	74.2	Confident	23 Å²	23	83 Å²	83	14%	0.141	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-63	138.2	165.2	47.6	0	0	0	0	109.8	V47 E48 G55 K59	V47-T57 HydrophobicContact CG1-CG2 4.21Å; V47-T57 WeakPolarHBondContact O-CG2 3.27Å; V47-T57 PolarHBondContact O-OG1 3.48Å; E48-T57 PolarHBondContact O-OG1 3.04Å; E48-T57 VanDerWaalsContact O-OG1 3.11Å; G55-T57 PolarHBondContact O-N 2.68Å; T57-K59 PolarHBondContact O-N 3.19Å
58	L	73.5	Confident	74.4	Confident	5 Å²	5	89.4 Å²	89.4	3%	0.026	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-62.6	125.8	178.8	-169.8	67.4	0	0	0	108.8	I11 V15 Y21 Y24 E62 F63	I11-L58 HydrophobicContact CG2-CD1 3.71Å; I11-L58 HydrophobicContact CG2-CD2 3.82Å; I11-L58 HydrophobicContact CG2-CG 4.31Å; V15-L58 HydrophobicContact CG2-CD2 3.95Å; Y21-L58 WeakPolarHBondContact CE2-O 3.35Å; Y21-L58 VanDerWaalsContact CZ-O 3.3Å; Y21-L58 PolarHBondContact OH-O 3.48Å; Y24-L58 HydrophobicContact CE1-CB 4.18Å; L58-E62 HydrophobicContact CD1-CB 3.62Å; L58-E62 WeakPolarHBondContact CD1-OE2 3.41Å; L58-E62 HydrophobicContact CG-CB 3.99Å; L58-F63 VanDerWaalsContact CD2-CA 3.45Å; L58-F63 HydrophobicContact CD2-CB 3.62Å; L58-F63 HydrophobicContact CD2-CD2 3.82Å; L58-F63 HydrophobicContact CD2-CG 4.17Å; L58-F63 HydrophobicContact CG-CB 4.19Å
59	K	80.8	Confident	74.7	Confident	137 Å²	137	88.4 Å²	88.4	60%	0.596	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-61.6	144.1	175.6	-67.6	-179.5	-179.1	174.3	0	109.9	T57 E61 E62 F63	T57-K59 PolarHBondContact O-N 3.19Å; K59-E61 PolarHBondContact O-N 3.18Å; K59-E61 VanDerWaalsContact O-N 3.14Å; K59-E62 HydrophobicContact CB-CB 4.37Å; K59-E62 HydrophobicContact CB-CG 4.17Å; K59-E62 WeakPolarHBondContact O-CA 3.38Å; K59-E62 WeakPolarHBondContact O-CB 3.22Å; K59-E62 PolarHBondContact O-N 3.27Å; K59-F63 PolarHBondContact O-N 2.94Å
60	R	83.3	Confident	75	Confident	84 Å²	84	85.5 Å²	85.5	32%	0.317	47%	0.466	S	S	.	.	H	α-helix	trans	-48.4	-42.9	175.3	-176.2	176.6	-67.1	-90.9	3.7	113	Y21 E22 E48 F63 N64	Y21-R60 HydrophobicContact CD1-CB 3.98Å; Y21-R60 HydrophobicContact CD1-CG 3.92Å; Y21-R60 HydrophobicContact CE1-CB 3.75Å; Y21-R60 HydrophobicContact CE1-CG 4.2Å; Y21-R60 HydrophobicContact CG-CB 4.44Å; Y21-R60 HydrophobicContact CG-CG 4.27Å; E22-R60 IonicContact OE1-CZ 3.7Å; E22-R60 IonicContact OE1-NH1 2.72Å; E22-R60 PolarHBondContact OE1-NH1 3.28Å; E22-R60 IonicContact OE1-NH2 3.8Å; E48-R60 IonicContact OE1-NE 3.79Å; E48-R60 IonicContact OE2-NH2 3.96Å; R60-F63 PolarHBondContact O-N 3.01Å; R60-N64 WeakPolarHBondContact O-CB 3.45Å; R60-N64 VanDerWaalsContact O-CG 3.27Å; R60-N64 PolarHBondContact O-N 3.05Å; R60-N64 PolarHBondContact O-ND2 2.98Å
61	E	83.8	Confident	75.4	Confident	162 Å²	162	85.9 Å²	85.9	76%	0.757	47%	0.466	S	S	*	.	H	α-helix	trans	-62.8	-41.1	176.6	-66.3	-175.3	170.5	0	0	112.4	K59 S65	K59-E61 PolarHBondContact O-N 3.18Å; K59-E61 VanDerWaalsContact O-N 3.14Å; E61-S65 WeakPolarHBondContact O-CB 3.45Å; E61-S65 PolarHBondContact O-N 3.34Å
62	E	83.4	Confident	76.2	Confident	88 Å²	88	82.4 Å²	82.4	41%	0.411	46%	0.456	S	S	.	.	H	α-helix	trans	-70.7	-41.7	178.7	-67.5	-178.4	-163.6	0	0	111.8	L58 K59 S65 R66	L58-E62 HydrophobicContact CD1-CB 3.62Å; L58-E62 WeakPolarHBondContact CD1-OE2 3.41Å; L58-E62 HydrophobicContact CG-CB 3.99Å; K59-E62 HydrophobicContact CB-CB 4.37Å; K59-E62 HydrophobicContact CB-CG 4.17Å; K59-E62 WeakPolarHBondContact O-CA 3.38Å; K59-E62 WeakPolarHBondContact O-CB 3.22Å; K59-E62 PolarHBondContact O-N 3.27Å; E62-S65 PolarHBondContact O-N 3.45Å; E62-R66 WeakPolarHBondContact O-CB 3.35Å; E62-R66 WeakPolarHBondContact O-CG 3.43Å; E62-R66 PolarHBondContact O-N 3.12Å
63	F	84.9	Confident	77	Confident	1 Å²	1	80.6 Å²	80.6	0%	0.004	46%	0.459	C	S	.	.	H	α-helix	trans	-57.6	-52.5	173.5	-174.9	-87.7	0	0	0	110.5	V15 F18 T20 Y21 Y24 L58 K59 R60 S65 R66 K67	V15-F63 HydrophobicContact CG2-CD2 3.89Å; V15-F63 HydrophobicContact CG2-CE2 4.08Å; F18-F63 HydrophobicContact CB-CZ 4.22Å; T20-F63 WeakPolarHBondContact O-CZ 3.35Å; Y21-F63 HydrophobicContact CD2-CB 3.47Å; Y21-F63 VanDerWaalsContact CD2-CB 3.47Å; Y21-F63 AromaticContact CD2-CD1 3.97Å; Y21-F63 HydrophobicContact CD2-CD1 3.97Å; Y21-F63 AromaticContact CD2-CD2 3.9Å; Y21-F63 HydrophobicContact CD2-CD2 3.9Å; Y21-F63 AromaticContact CD2-CG 3.52Å; Y21-F63 HydrophobicContact CD2-CG 3.52Å; Y21-F63 HydrophobicContact CE2-CB 3.95Å; Y21-F63 HydrophobicContact CE2-CG 4.35Å; Y21-F63 HydrophobicContact CG-CB 4.42Å; Y21-F63 HydrophobicContact CG-CD1 4.39Å; Y21-F63 HydrophobicContact CG-CG 4.36Å; Y24-F63 HydrophobicContact CD1-CD2 4.41Å; Y24-F63 HydrophobicContact CG-CD2 4.42Å; Y24-F63 HydrophobicContact CG-CE2 4.21Å; L58-F63 VanDerWaalsContact CD2-CA 3.45Å; L58-F63 HydrophobicContact CD2-CB 3.62Å; L58-F63 HydrophobicContact CD2-CD2 3.82Å; L58-F63 HydrophobicContact CD2-CG 4.17Å; L58-F63 HydrophobicContact CG-CB 4.19Å; K59-F63 PolarHBondContact O-N 2.94Å; R60-F63 PolarHBondContact O-N 3.01Å; F63-S65 VanDerWaalsContact C-N 3.35Å; F63-S65 PolarHBondContact O-N 3.21Å; F63-R66 PolarHBondContact O-N 3.06Å; F63-K67 WeakPolarHBondContact O-CB 3.41Å; F63-K67 PolarHBondContact O-N 2.92Å
64	N	85.7	Confident	78.2	Confident	82 Å²	82	81.5 Å²	81.5	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-63.7	-40.9	-179.1	-73	-21.7	0	0	0	111.8	R60 K67 K68	R60-N64 WeakPolarHBondContact O-CB 3.45Å; R60-N64 VanDerWaalsContact O-CG 3.27Å; R60-N64 PolarHBondContact O-N 3.05Å; R60-N64 PolarHBondContact O-ND2 2.98Å; N64-K67 PolarHBondContact O-N 3.36Å; N64-K68 VanDerWaalsContact O-CB 3.27Å; N64-K68 WeakPolarHBondContact O-CB 3.39Å; N64-K68 PolarHBondContact O-N 2.8Å
65	S	86.2	Confident	79.1	Confident	80 Å²	80	82.7 Å²	82.7	56%	0.559	44%	0.438	S	S	*	.	H	α-helix	trans	-63.5	-44.4	176.6	-174.6	0	0	0	0	111.7	E61 E62 F63 K68 A69	E61-S65 WeakPolarHBondContact O-CB 3.45Å; E61-S65 PolarHBondContact O-N 3.34Å; E62-S65 PolarHBondContact O-N 3.45Å; F63-S65 VanDerWaalsContact C-N 3.35Å; F63-S65 PolarHBondContact O-N 3.21Å; S65-K68 PolarHBondContact O-N 3.45Å; S65-A69 WeakPolarHBondContact O-CB 3.33Å; S65-A69 PolarHBondContact O-N 3.47Å
66	R	83.9	Confident	79.9	Confident	89 Å²	89	80.8 Å²	80.8	34%	0.336	42%	0.415	S	S	.	.	H	α-helix	trans	-68	-40.6	177.1	-71.8	-171.5	-168.9	-154.2	10.5	112	I11 D12 V15 E62 F63 K68 A69 L70	I11-R66 VanDerWaalsContact CG2-NH1 3.29Å; D12-R66 IonicContact OD1-NH1 2.86Å; D12-R66 PolarHBondContact OD1-NH1 3.24Å; V15-R66 HydrophobicContact CG1-CB 4.03Å; V15-R66 HydrophobicContact CG2-CB 4.07Å; E62-R66 WeakPolarHBondContact O-CB 3.35Å; E62-R66 WeakPolarHBondContact O-CG 3.43Å; E62-R66 PolarHBondContact O-N 3.12Å; F63-R66 PolarHBondContact O-N 3.06Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 2.81Å; R66-A69 PolarHBondContact O-N 2.91Å; R66-L70 WeakPolarHBondContact O-CB 3.44Å; R66-L70 PolarHBondContact O-N 2.82Å
67	K	84.8	Confident	80.2	Confident	56 Å²	56	78 Å²	78	24%	0.243	40%	0.4	C	S	.	.	H	α-helix	trans	-60.4	-45.6	175.8	-167.5	76.2	179.7	-171.6	0	110.9	V15 F18 F63 N64 L70 A71	V15-K67 HydrophobicContact CG1-CB 4.09Å; V15-K67 HydrophobicContact CG1-CD 3.96Å; V15-K67 WeakPolarHBondContact O-CD 3.49Å; V15-K67 PolarHBondContact O-NZ 3.49Å; F18-K67 PolarHBondContact O-NZ 3.17Å; F63-K67 WeakPolarHBondContact O-CB 3.41Å; F63-K67 PolarHBondContact O-N 2.92Å; N64-K67 PolarHBondContact O-N 3.36Å; K67-L70 PolarHBondContact O-N 2.79Å; K67-A71 WeakPolarHBondContact O-CB 3.29Å; K67-A71 PolarHBondContact O-N 3.4Å
68	K	86.4	Confident	80	Confident	136 Å²	136	82.4 Å²	82.4	59%	0.591	42%	0.419	S	S	*	.	H	α-helix	trans	-61.5	-46.7	174.7	-174.4	177.9	174.9	-176.4	0	111.6	N64 S65 R66 L70 A71 E72	N64-K68 VanDerWaalsContact O-CB 3.27Å; N64-K68 WeakPolarHBondContact O-CB 3.39Å; N64-K68 PolarHBondContact O-N 2.8Å; S65-K68 PolarHBondContact O-N 3.45Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-K68 PolarHBondContact O-N 2.81Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.44Å; K68-A71 PolarHBondContact O-N 2.88Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 HydrophobicContact CG-CG 4.49Å; K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 WeakPolarHBondContact O-CG 3.32Å; K68-E72 PolarHBondContact O-N 3.27Å
69	A	86.2	Confident	79.2	Confident	53 Å²	53	88.6 Å²	88.6	44%	0.438	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-37.5	177.3	0	0	0	0	0	112.6	S65 R66 A73	S65-A69 WeakPolarHBondContact O-CB 3.33Å; S65-A69 PolarHBondContact O-N 3.47Å; R66-A69 PolarHBondContact O-N 2.91Å; A69-A73 WeakPolarHBondContact O-CB 3.47Å; A69-A73 PolarHBondContact O-N 2.87Å
70	L	83.3	Confident	78	Confident	60 Å²	60	89 Å²	89	31%	0.314	45%	0.452	S	S	.	.	H	α-helix	trans	-67.7	-42.7	175.7	-172	145.7	0	0	0	111.3	R66 K67 K68 A73 M74	R66-L70 WeakPolarHBondContact O-CB 3.44Å; R66-L70 PolarHBondContact O-N 2.82Å; K67-L70 PolarHBondContact O-N 2.79Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.44Å; L70-A73 PolarHBondContact O-N 2.85Å; L70-M74 HydrophobicContact CD2-CE 3.71Å; L70-M74 HydrophobicContact CD2-CG 4.34Å; L70-M74 HydrophobicContact CD2-SD 3.88Å; L70-M74 WeakPolarHBondContact O-CB 3.24Å; L70-M74 WeakPolarHBondContact O-CG 3.36Å; L70-M74 PolarHBondContact O-N 2.98Å
71	A	81.6	Confident	76.8	Confident	47 Å²	47	92.2 Å²	92.2	39%	0.388	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-45	174.1	0	0	0	0	0	111.8	K67 K68 A73 M74 L75	K67-A71 WeakPolarHBondContact O-CB 3.29Å; K67-A71 PolarHBondContact O-N 3.4Å; K68-A71 PolarHBondContact O-N 2.88Å; A71-A73 PolarHBondContact O-N 2.7Å; A71-M74 PolarHBondContact O-N 3.16Å; A71-L75 WeakPolarHBondContact O-CB 3.23Å; A71-L75 WeakPolarHBondContact O-CG 3.35Å; A71-L75 PolarHBondContact O-N 3.23Å
72	E	83.8	Confident	75.5	Confident	108 Å²	108	90.5 Å²	90.5	51%	0.505	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-40.4	174.7	-73.9	176.9	-178.7	0	0	111.8	K68 L75 A76	K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 HydrophobicContact CG-CG 4.49Å; K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 WeakPolarHBondContact O-CG 3.32Å; K68-E72 PolarHBondContact O-N 3.27Å; E72-L75 PolarHBondContact O-N 3.31Å; E72-A76 VanDerWaalsContact O-CB 3.24Å; E72-A76 WeakPolarHBondContact O-CB 3.48Å; E72-A76 PolarHBondContact O-N 2.98Å
73	A	79.9	Confident	74.8	Confident	45 Å²	45	89 Å²	89	37%	0.372	47%	0.467	S	S	.	.	H	α-helix	trans	-66.8	-36.6	175.4	0	0	0	0	0	112.3	A69 L70 A71 K77	A69-A73 WeakPolarHBondContact O-CB 3.47Å; A69-A73 PolarHBondContact O-N 2.87Å; L70-A73 PolarHBondContact O-N 2.85Å; A71-A73 PolarHBondContact O-N 2.7Å; A73-K77 WeakPolarHBondContact O-CB 3.26Å; A73-K77 VanDerWaalsContact O-CG 3.23Å; A73-K77 WeakPolarHBondContact O-CG 3.33Å; A73-K77 PolarHBondContact O-N 3.32Å
74	M	76.3	Confident	74.6	Confident	116 Å²	116	92 Å²	92	57%	0.571	48%	0.483	S	S	*	.	H	α-helix	trans	-65.5	-47.9	172.7	-76.9	-173	169.7	0	0	111.2	L70 A71 A76 K77 E78	L70-M74 HydrophobicContact CD2-CE 3.71Å; L70-M74 HydrophobicContact CD2-CG 4.34Å; L70-M74 HydrophobicContact CD2-SD 3.88Å; L70-M74 WeakPolarHBondContact O-CB 3.24Å; L70-M74 WeakPolarHBondContact O-CG 3.36Å; L70-M74 PolarHBondContact O-N 2.98Å; A71-M74 PolarHBondContact O-N 3.16Å; M74-A76 VanDerWaalsContact C-N 3.34Å; M74-A76 PolarHBondContact O-N 2.8Å; M74-K77 WeakPolarHBondContact O-CB 3.21Å; M74-K77 PolarHBondContact O-N 3.46Å; M74-E78 WeakPolarHBondContact O-CG 3.28Å; M74-E78 PolarHBondContact O-N 3.3Å
75	L	74.1	Confident	74.3	Confident	96 Å²	96	89.3 Å²	89.3	50%	0.503	47%	0.47	S	S	.	.	H	α-helix	trans	-59.8	-43.4	175.2	-73.1	166.9	0	0	0	111.5	A71 E72 K77 E78 Q79	A71-L75 WeakPolarHBondContact O-CB 3.23Å; A71-L75 WeakPolarHBondContact O-CG 3.35Å; A71-L75 PolarHBondContact O-N 3.23Å; E72-L75 PolarHBondContact O-N 3.31Å; L75-K77 PolarHBondContact O-N 3.05Å; L75-E78 PolarHBondContact O-N 3.27Å; L75-Q79 WeakPolarHBondContact O-CB 3.42Å; L75-Q79 VanDerWaalsContact O-CG 3.29Å; L75-Q79 WeakPolarHBondContact O-CG 3.29Å; L75-Q79 PolarHBondContact O-N 2.9Å
76	A	70.8	Confident	74.2	Confident	39 Å²	39	86.2 Å²	86.2	32%	0.322	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-39.8	175.9	0	0	0	0	0	111.7	E72 M74 Q79 Q80	E72-A76 VanDerWaalsContact O-CB 3.24Å; E72-A76 WeakPolarHBondContact O-CB 3.48Å; E72-A76 PolarHBondContact O-N 2.98Å; M74-A76 VanDerWaalsContact C-N 3.34Å; M74-A76 PolarHBondContact O-N 2.8Å; A76-Q79 PolarHBondContact O-N 2.81Å; A76-Q80 WeakPolarHBondContact O-CB 3.44Å; A76-Q80 VanDerWaalsContact O-CG 3.26Å; A76-Q80 WeakPolarHBondContact O-CG 3.23Å; A76-Q80 PolarHBondContact O-N 3.29Å
77	K	65.5	Low	74.1	Confident	132 Å²	132	90.4 Å²	90.4	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-64.3	-39.5	173.2	-78	174.5	-177.4	178.4	0	111.7	A73 M74 L75 K81	A73-K77 WeakPolarHBondContact O-CB 3.26Å; A73-K77 VanDerWaalsContact O-CG 3.23Å; A73-K77 WeakPolarHBondContact O-CG 3.33Å; A73-K77 PolarHBondContact O-N 3.32Å; M74-K77 WeakPolarHBondContact O-CB 3.21Å; M74-K77 PolarHBondContact O-N 3.46Å; L75-K77 PolarHBondContact O-N 3.05Å; K77-K81 VanDerWaalsContact O-CG 3.23Å; K77-K81 WeakPolarHBondContact O-CG 3.37Å; K77-K81 PolarHBondContact O-N 3.11Å
78	E	61.1	Low	73.8	Confident	114 Å²	114	91.3 Å²	91.3	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-43.2	174.7	-73.6	-169.1	157.5	0	0	112.2	M74 L75 Q80 K81 N82	M74-E78 WeakPolarHBondContact O-CG 3.28Å; M74-E78 PolarHBondContact O-N 3.3Å; L75-E78 PolarHBondContact O-N 3.27Å; E78-Q80 PolarHBondContact O-N 2.98Å; E78-K81 WeakPolarHBondContact O-CB 3.18Å; E78-K81 PolarHBondContact O-N 3.23Å; E78-N82 PolarHBondContact O-N 3.42Å; E78-N82 PolarHBondContact O-ND2 3.21Å
79	Q	58.4	Low	73.8	Confident	136 Å²	136	87.5 Å²	87.5	64%	0.636	48%	0.48	S	S	*	.	H	α-helix	trans	-62.8	-41.8	174.7	-73.3	176.6	0.2	0	0	111.5	L75 A76 K81 N82 A83	L75-Q79 WeakPolarHBondContact O-CB 3.42Å; L75-Q79 VanDerWaalsContact O-CG 3.29Å; L75-Q79 WeakPolarHBondContact O-CG 3.29Å; L75-Q79 PolarHBondContact O-N 2.9Å; A76-Q79 PolarHBondContact O-N 2.81Å; Q79-K81 VanDerWaalsContact C-N 3.32Å; Q79-K81 PolarHBondContact O-N 3.38Å; Q79-N82 CarbonylContact O-C 3.52Å; Q79-N82 PolarHBondContact O-N 2.99Å; Q79-N82 VanDerWaalsContact O-N 3.11Å; Q79-A83 PolarHBondContact O-N 3.42Å
80	Q	55.6	Low	73.8	Confident	146 Å²	146	94.9 Å²	94.9	68%	0.682	50%	0.502	S	S	*	.	H	α-helix	trans	-63	-37.3	173.4	-78	179	5.9	0	0	112.2	A76 E78 N82 A83	A76-Q80 WeakPolarHBondContact O-CB 3.44Å; A76-Q80 VanDerWaalsContact O-CG 3.26Å; A76-Q80 WeakPolarHBondContact O-CG 3.23Å; A76-Q80 PolarHBondContact O-N 3.29Å; E78-Q80 PolarHBondContact O-N 2.98Å; Q80-N82 VanDerWaalsContact C-N 3.25Å; Q80-N82 PolarHBondContact O-N 3.47Å; Q80-A83 PolarHBondContact O-N 3.29Å
81	K	56.8	Low	74	Confident	151 Å²	151	93.7 Å²	93.7	66%	0.657	50%	0.496	S	S	*	.	H	α-helix	trans	-64.6	-31.3	173.2	-75.4	170.7	-178.5	179.8	0	112.3	K77 E78 Q79	K77-K81 VanDerWaalsContact O-CG 3.23Å; K77-K81 WeakPolarHBondContact O-CG 3.37Å; K77-K81 PolarHBondContact O-N 3.11Å; E78-K81 WeakPolarHBondContact O-CB 3.18Å; E78-K81 PolarHBondContact O-N 3.23Å; Q79-K81 VanDerWaalsContact C-N 3.32Å; Q79-K81 PolarHBondContact O-N 3.38Å
82	N	57.8	Low	74.4	Confident	126 Å²	126	97.1 Å²	97.1	67%	0.674	51%	0.512	S	S	*	.	H	α-helix	trans	-87.2	-19.8	178.9	-68.6	-26.9	0	0	0	113.4	E78 Q79 Q80 L84	E78-N82 PolarHBondContact O-N 3.42Å; E78-N82 PolarHBondContact O-ND2 3.21Å; Q79-N82 CarbonylContact O-C 3.52Å; Q79-N82 PolarHBondContact O-N 2.99Å; Q79-N82 VanDerWaalsContact O-N 3.11Å; Q80-N82 VanDerWaalsContact C-N 3.25Å; Q80-N82 PolarHBondContact O-N 3.47Å; N82-L84 PolarHBondContact O-N 3.49Å
83	A	68.6	Low	74.7	Confident	57 Å²	57	92.1 Å²	92.1	47%	0.471	49%	0.489	S	S	.	.	S	Bend	trans	-64.2	118.7	173.2	0	0	0	0	0	109.2	Q79 Q80 S85	Q79-A83 PolarHBondContact O-N 3.42Å; Q80-A83 PolarHBondContact O-N 3.29Å; A83-S85 PolarHBondContact O-N 3.19Å
84	L	80.3	Confident	75.4	Confident	64 Å²	64	92 Å²	92	34%	0.335	49%	0.485	S	S	.	.			trans	-59.7	126.4	175.4	-60.7	178.5	0	0	0	108.8	N82 S86 F87 E103 G104	N82-L84 PolarHBondContact O-N 3.49Å; L84-S86 PolarHBondContact O-N 3.26Å; L84-S86 VanDerWaalsContact O-N 3.14Å; L84-F87 HydrophobicContact CB-CB 4.33Å; L84-F87 VanDerWaalsContact O-CB 3.28Å; L84-F87 WeakPolarHBondContact O-CB 3.46Å; L84-F87 PolarHBondContact O-N 2.96Å; L84-E103 HydrophobicContact CD2-CB 4.32Å; L84-E103 HydrophobicContact CD2-CG 4.02Å; L84-G104 VanDerWaalsContact CD2-CA 3.48Å
85	S	79.8	Confident	76.3	Confident	24 Å²	24	86.5 Å²	86.5	17%	0.168	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.6	179	-60.9	0	0	0	0	112.5	A83 L89 E103 R107	A83-S85 PolarHBondContact O-N 3.19Å; S85-L89 VanDerWaalsContact O-CD1 3.29Å; S85-L89 WeakPolarHBondContact O-CD1 3.35Å; S85-E103 VanDerWaalsContact CB-OE1 3.25Å; S85-E103 WeakPolarHBondContact CB-OE1 3.46Å; S85-E103 VanDerWaalsContact N-CD 3.31Å; S85-E103 PolarHBondContact N-OE1 2.83Å; S85-E103 PolarHBondContact N-OE2 3Å; S85-E103 VanDerWaalsContact N-OE2 3.15Å; S85-E103 PolarHBondContact OG-OE1 3.13Å; S85-R107 PolarHBondContact OG-NH2 3.44Å
86	S	83.3	Confident	77.2	Confident	15 Å²	15	82.1 Å²	82.1	11%	0.105	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.9	174.9	55.5	0	0	0	0	115	L84 G88 L89 A100 E103	L84-S86 PolarHBondContact O-N 3.26Å; L84-S86 VanDerWaalsContact O-N 3.14Å; S86-G88 PolarHBondContact O-N 2.86Å; S86-L89 PolarHBondContact O-N 3.14Å; S86-A100 VanDerWaalsContact CB-CB 3.42Å; S86-E103 VanDerWaalsContact CB-OE2 3.31Å; S86-E103 WeakPolarHBondContact CB-OE2 3.48Å; S86-E103 PolarHBondContact N-OE2 3.3Å; S86-E103 PolarHBondContact OG-OE2 3.27Å
87	F	81.8	Confident	78.3	Confident	178 Å²	178	86.9 Å²	86.9	78%	0.781	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	125.6	-171.8	-170.3	-98.7	0	0	0	112.2	L84 L89	L84-F87 HydrophobicContact CB-CB 4.33Å; L84-F87 VanDerWaalsContact O-CB 3.28Å; L84-F87 WeakPolarHBondContact O-CB 3.46Å; L84-F87 PolarHBondContact O-N 2.96Å; F87-L89 PolarHBondContact O-N 3.04Å
88	G	79.3	Confident	79.7	Confident	74 Å²	74	81 Å²	81	76%	0.763	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	1.1	178	0	0	0	0	0	115.8	S86	S86-G88 PolarHBondContact O-N 2.86Å
89	L	85.3	Confident	81.3	Confident	56 Å²	56	75.5 Å²	75.5	29%	0.293	39%	0.394	S	S	.	.			trans	-83.1	134.7	176.7	-63.8	178.5	0	0	0	111.1	S85 S86 F87 I91 F146 K147	S85-L89 VanDerWaalsContact O-CD1 3.29Å; S85-L89 WeakPolarHBondContact O-CD1 3.35Å; S86-L89 PolarHBondContact O-N 3.14Å; F87-L89 PolarHBondContact O-N 3.04Å; L89-I91 HydrophobicContact CB-CG1 4.26Å; L89-I91 PolarHBondContact O-N 3.37Å; L89-F146 HydrophobicContact CD1-CB 3.58Å; L89-K147 HydrophobicContact CD1-CG 4.11Å; L89-K147 HydrophobicContact CD2-CG 4.23Å
90	K	86.6	Confident	83	Confident	208 Å²	208	69.8 Å²	69.8	90%	0.904	37%	0.37	S	S	*	.			trans	-79.9	100.7	169.6	-69.9	-176.7	179.4	-179.3	0	108.8
91	I	87.2	Confident	84.8	Confident	36 Å²	36	69 Å²	69	19%	0.185	37%	0.367	C	S	.	.			trans	-98.2	129.1	-179.1	-58.4	167.3	0	0	0	109.2	L89 I96 R97 A100 F146	L89-I91 HydrophobicContact CB-CG1 4.26Å; L89-I91 PolarHBondContact O-N 3.37Å; I91-I96 HydrophobicContact CD1-CG2 4.28Å; I91-I96 HydrophobicContact CG1-CG2 4.41Å; I91-I96 HydrophobicContact CG2-CB 3.69Å; I91-I96 HydrophobicContact CG2-CG2 3.55Å; I91-R97 HydrophobicContact CG2-CB 4.04Å; I91-A100 HydrophobicContact CD1-CB 3.53Å; I91-F146 HydrophobicContact CD1-CD1 4.02Å
92	T	90.2	Very high	86.5	Confident	119 Å²	119	63.3 Å²	63.3	73%	0.73	34%	0.341	S	S	*	.			trans	-104.3	-37.4	-177.2	-22.4	0	0	0	0	111.1	E148	T92-E148 WeakPolarHBondContact CA-OE1 3.33Å; T92-E148 PolarHBondContact N-OE1 3.41Å
93	C	91.1	Very high	88.2	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.02	31%	0.309	C	S	.	.	S	Bend	trans	-68.8	126.7	-177.6	179.4	0	0	0	0	111.9	L95 I96 R97 E148 K220	C93-L95 VanDerWaalsContact C-N 3.34Å; C93-L95 PolarHBondContact O-N 2.83Å; C93-I96 HydrophobicContact CB-CB 4.05Å; C93-I96 HydrophobicContact CB-CG1 3.85Å; C93-I96 PolarHBondContact O-N 2.64Å; C93-R97 WeakPolarHBondContact O-CB 3.22Å; C93-R97 PolarHBondContact O-N 2.79Å; C93-E148 HydrophobicContact CB-CG 4.45Å; C93-E148 WeakPolarHBondContact CB-OE1 3.5Å; C93-E148 PolarHBondContact N-OE1 2.87Å; C93-K220 HydrophobicContact CB-CD 4.16Å
94	P	94	Very high	89.2	Confident	42 Å²	42	55.6 Å²	55.6	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-55.8	-42.4	179.8	-28.1	35.5	0	0	0	114.1	A98 I216	P94-A98 WeakPolarHBondContact O-CB 3.46Å; P94-A98 PolarHBondContact O-N 3.32Å; P94-I216 HydrophobicContact CB-CG2 3.84Å
95	L	94.1	Very high	89.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-51.3	177.2	171.7	56.5	0	0	0	111.2	C93 R97 A98 L99 I115 I117 I216 Y221 V224 I226	C93-L95 VanDerWaalsContact C-N 3.34Å; C93-L95 PolarHBondContact O-N 2.83Å; L95-R97 VanDerWaalsContact C-N 3.27Å; L95-R97 PolarHBondContact O-N 2.87Å; L95-A98 WeakPolarHBondContact O-CB 3.45Å; L95-A98 PolarHBondContact O-N 2.78Å; L95-A98 VanDerWaalsContact O-N 3.13Å; L95-L99 HydrophobicContact CD1-CD1 4.07Å; L95-L99 HydrophobicContact CD1-CD2 4.37Å; L95-L99 HydrophobicContact CD1-CG 3.98Å; L95-L99 HydrophobicContact CG-CD1 4.2Å; L95-L99 HydrophobicContact CG-CG 4.46Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; L95-L99 PolarHBondContact O-N 3.41Å; L95-I115 HydrophobicContact CD1-CG2 4.34Å; L95-I117 HydrophobicContact CD2-CD1 4.1Å; L95-I216 HydrophobicContact CB-CG2 4.32Å; L95-Y221 HydrophobicContact CB-CE2 4.4Å; L95-Y221 HydrophobicContact CD2-CD2 3.99Å; L95-Y221 HydrophobicContact CD2-CE1 4.41Å; L95-Y221 HydrophobicContact CD2-CE2 3.51Å; L95-V224 HydrophobicContact CD1-CG1 3.47Å; L95-V224 VanDerWaalsContact CD1-CG1 3.47Å; L95-V224 HydrophobicContact CD2-CG1 3.98Å; L95-V224 HydrophobicContact CD2-CG2 4.16Å; L95-V224 HydrophobicContact CG-CG1 4.16Å; L95-I226 HydrophobicContact CD1-CD1 4.03Å; L95-I226 HydrophobicContact CD1-CG1 4.43Å
96	I	94.4	Very high	90.3	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-36.7	-175.1	-57.9	-56	0	0	0	110.5	I91 C93 L99 A100 F146	I91-I96 HydrophobicContact CD1-CG2 4.28Å; I91-I96 HydrophobicContact CG1-CG2 4.41Å; I91-I96 HydrophobicContact CG2-CB 3.69Å; I91-I96 HydrophobicContact CG2-CG2 3.55Å; C93-I96 HydrophobicContact CB-CB 4.05Å; C93-I96 HydrophobicContact CB-CG1 3.85Å; C93-I96 PolarHBondContact O-N 2.64Å; I96-L99 HydrophobicContact CD1-CD1 4.47Å; I96-L99 PolarHBondContact O-N 2.93Å; I96-A100 WeakPolarHBondContact O-CB 3.26Å; I96-A100 PolarHBondContact O-N 2.96Å; I96-F146 HydrophobicContact CG2-CD1 3.58Å; I96-F146 HydrophobicContact CG2-CE1 4.29Å; I96-F146 HydrophobicContact CG2-CG 4.47Å
97	R	93.8	Very high	90.6	Very high	139 Å²	139	56.7 Å²	56.7	53%	0.525	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-46.4	172.9	-178	174.5	62.9	125.3	-3.1	111.3	I91 C93 L95 L99 A100 E101	I91-R97 HydrophobicContact CG2-CB 4.04Å; C93-R97 WeakPolarHBondContact O-CB 3.22Å; C93-R97 PolarHBondContact O-N 2.79Å; L95-R97 VanDerWaalsContact C-N 3.27Å; L95-R97 PolarHBondContact O-N 2.87Å; R97-L99 VanDerWaalsContact C-N 3.28Å; R97-L99 PolarHBondContact O-N 2.98Å; R97-A100 WeakPolarHBondContact O-CB 3.31Å; R97-A100 PolarHBondContact O-N 2.81Å; R97-E101 WeakPolarHBondContact O-CG 3.39Å; R97-E101 PolarHBondContact O-N 3.15Å; R97-E101 VanDerWaalsContact O-N 3.11Å
98	A	94.6	Very high	90.9	Very high	7 Å²	7	52.2 Å²	52.2	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-35.5	176.3	0	0	0	0	0	112.4	P94 L95 R102 I216 I226	P94-A98 WeakPolarHBondContact O-CB 3.46Å; P94-A98 PolarHBondContact O-N 3.32Å; L95-A98 WeakPolarHBondContact O-CB 3.45Å; L95-A98 PolarHBondContact O-N 2.78Å; L95-A98 VanDerWaalsContact O-N 3.13Å; A98-R102 VanDerWaalsContact O-CD 3.29Å; A98-R102 WeakPolarHBondContact O-CD 3.44Å; A98-R102 WeakPolarHBondContact O-CG 3.48Å; A98-R102 PolarHBondContact O-NH1 2.62Å; A98-I216 HydrophobicContact CB-CD1 4Å; A98-I226 HydrophobicContact CB-CD1 3.7Å
99	L	95.1	Very high	91.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-71.6	-36.7	174.9	-66.3	-178.3	0	0	0	112.7	L95 I96 R97 R102 E103 I115 Y133 F146 L152 I226	L95-L99 HydrophobicContact CD1-CD1 4.07Å; L95-L99 HydrophobicContact CD1-CD2 4.37Å; L95-L99 HydrophobicContact CD1-CG 3.98Å; L95-L99 HydrophobicContact CG-CD1 4.2Å; L95-L99 HydrophobicContact CG-CG 4.46Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; L95-L99 PolarHBondContact O-N 3.41Å; I96-L99 HydrophobicContact CD1-CD1 4.47Å; I96-L99 PolarHBondContact O-N 2.93Å; R97-L99 VanDerWaalsContact C-N 3.28Å; R97-L99 PolarHBondContact O-N 2.98Å; L99-R102 CarbonylContact O-C 3.51Å; L99-R102 PolarHBondContact O-N 3.49Å; L99-R102 VanDerWaalsContact O-N 3.16Å; L99-E103 PolarHBondContact O-N 3.41Å; L99-I115 HydrophobicContact CD1-CD1 3.91Å; L99-I115 HydrophobicContact CD2-CD1 3.43Å; L99-I115 VanDerWaalsContact CD2-CD1 3.43Å; L99-I115 HydrophobicContact CD2-CG1 3.85Å; L99-I115 HydrophobicContact CG-CD1 4.33Å; L99-Y133 HydrophobicContact CB-CE1 4.37Å; L99-Y133 HydrophobicContact CB-CE2 4.31Å; L99-Y133 HydrophobicContact CD1-CE2 4.43Å; L99-Y133 HydrophobicContact CD2-CD1 4.27Å; L99-Y133 HydrophobicContact CD2-CD2 4.35Å; L99-Y133 HydrophobicContact CD2-CE1 4.16Å; L99-Y133 HydrophobicContact CD2-CE2 4.28Å; L99-Y133 HydrophobicContact CD2-CG 4.36Å; L99-Y133 PolarHBondContact O-OH 3.21Å; L99-F146 HydrophobicContact CB-CE1 4.3Å; L99-L152 HydrophobicContact CD1-CD2 3.68Å; L99-I226 HydrophobicContact CD2-CD1 4.3Å
100	A	93.4	Very high	91.3	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-46.7	177	0	0	0	0	0	111.4	S86 I91 I96 R97 R102 E103 F146	S86-A100 VanDerWaalsContact CB-CB 3.42Å; I91-A100 HydrophobicContact CD1-CB 3.53Å; I96-A100 WeakPolarHBondContact O-CB 3.26Å; I96-A100 PolarHBondContact O-N 2.96Å; R97-A100 WeakPolarHBondContact O-CB 3.31Å; R97-A100 PolarHBondContact O-N 2.81Å; A100-R102 PolarHBondContact O-N 3.41Å; A100-R102 VanDerWaalsContact O-N 3.1Å; A100-E103 WeakPolarHBondContact O-CB 3.25Å; A100-E103 PolarHBondContact O-N 3Å; A100-E103 VanDerWaalsContact O-N 3.11Å; A100-F146 HydrophobicContact CB-CD1 4.18Å; A100-F146 HydrophobicContact CB-CE1 3.74Å; A100-F146 HydrophobicContact CB-CZ 4.49Å
101	E	92.7	Very high	91.6	Very high	130 Å²	130	43.2 Å²	43.2	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-57.3	-27.7	175.1	-69.9	169.7	-174.9	0	0	112.8	R97	R97-E101 WeakPolarHBondContact O-CG 3.39Å; R97-E101 PolarHBondContact O-N 3.15Å; R97-E101 VanDerWaalsContact O-N 3.11Å
102	R	93.6	Very high	91.8	Very high	31 Å²	31	41.8 Å²	41.8	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-96	-9.3	-177	-66.3	173.1	171.2	66.8	2.1	113.7	A98 L99 A100 G104 S105 N106 M111 Y133 D228	A98-R102 VanDerWaalsContact O-CD 3.29Å; A98-R102 WeakPolarHBondContact O-CD 3.44Å; A98-R102 WeakPolarHBondContact O-CG 3.48Å; A98-R102 PolarHBondContact O-NH1 2.62Å; L99-R102 CarbonylContact O-C 3.51Å; L99-R102 PolarHBondContact O-N 3.49Å; L99-R102 VanDerWaalsContact O-N 3.16Å; A100-R102 PolarHBondContact O-N 3.41Å; A100-R102 VanDerWaalsContact O-N 3.1Å; R102-G104 PolarHBondContact O-N 3.36Å; R102-S105 PolarHBondContact O-N 3.11Å; R102-N106 WeakPolarHBondContact O-CB 3.4Å; R102-N106 PolarHBondContact O-N 2.99Å; R102-N106 PolarHBondContact O-ND2 3.02Å; R102-M111 HydrophobicContact CB-CE 3.55Å; R102-M111 HydrophobicContact CG-CE 3.48Å; R102-M111 VanDerWaalsContact CG-CE 3.48Å; R102-Y133 HydrophobicContact CB-CE1 4.09Å; R102-D228 VanDerWaalsContact CD-OD1 3.31Å; R102-D228 WeakPolarHBondContact CD-OD1 3.45Å; R102-D228 IonicContact CZ-OD2 2.62Å; R102-D228 VanDerWaalsContact CZ-OD2 3.26Å; R102-D228 VanDerWaalsContact NE-CG 3.27Å; R102-D228 IonicContact NE-OD1 2.71Å; R102-D228 PolarHBondContact NE-OD1 3.18Å; R102-D228 IonicContact NE-OD2 3.97Å; R102-D228 PolarHBondContact NE-OD2 2.92Å; R102-D228 IonicContact NH2-OD2 3.48Å; R102-D228 PolarHBondContact NH2-OD2 3.2Å
103	E	93.2	Very high	92.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-51.6	-171.3	-174.2	-175.6	179.9	0	0	111.3	L84 S85 S86 L99 A100 S105 N106 R107 L137 F146	L84-E103 HydrophobicContact CD2-CB 4.32Å; L84-E103 HydrophobicContact CD2-CG 4.02Å; S85-E103 VanDerWaalsContact CB-OE1 3.25Å; S85-E103 WeakPolarHBondContact CB-OE1 3.46Å; S85-E103 VanDerWaalsContact N-CD 3.31Å; S85-E103 PolarHBondContact N-OE1 2.83Å; S85-E103 PolarHBondContact N-OE2 3Å; S85-E103 VanDerWaalsContact N-OE2 3.15Å; S85-E103 PolarHBondContact OG-OE1 3.13Å; S86-E103 VanDerWaalsContact CB-OE2 3.31Å; S86-E103 WeakPolarHBondContact CB-OE2 3.48Å; S86-E103 PolarHBondContact N-OE2 3.3Å; S86-E103 PolarHBondContact OG-OE2 3.27Å; L99-E103 PolarHBondContact O-N 3.41Å; A100-E103 WeakPolarHBondContact O-CB 3.25Å; A100-E103 PolarHBondContact O-N 3Å; A100-E103 VanDerWaalsContact O-N 3.11Å; E103-S105 PolarHBondContact O-N 3.11Å; E103-N106 PolarHBondContact O-N 3.29Å; E103-R107 HydrophobicContact CG-CG 4.35Å; E103-R107 WeakPolarHBondContact O-CG 3.32Å; E103-R107 PolarHBondContact O-N 2.84Å; E103-R107 IonicContact OE1-CZ 3.59Å; E103-R107 VanDerWaalsContact OE1-CZ 3.27Å; E103-R107 IonicContact OE1-NE 2.81Å; E103-R107 PolarHBondContact OE1-NE 3.43Å; E103-R107 IonicContact OE1-NH2 2.87Å; E103-R107 PolarHBondContact OE1-NH2 3.47Å; E103-L137 HydrophobicContact CG-CD1 4.38Å; E103-L137 HydrophobicContact CG-CD2 4.12Å; E103-F146 HydrophobicContact CB-CZ 4.45Å; E103-F146 HydrophobicContact CG-CZ 4.46Å
104	G	89.6	Confident	92.4	Very high	21 Å²	21	36 Å²	36	22%	0.216	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-44.1	-177.7	0	0	0	0	0	113.1	L84 R102 N106 R107 T108	L84-G104 VanDerWaalsContact CD2-CA 3.48Å; R102-G104 PolarHBondContact O-N 3.36Å; G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 3.19Å; G104-R107 PolarHBondContact O-N 3.1Å; G104-T108 WeakPolarHBondContact O-CB 3.49Å; G104-T108 WeakPolarHBondContact O-CG2 3.47Å; G104-T108 PolarHBondContact O-N 3.23Å; G104-T108 PolarHBondContact O-OG1 2.87Å
105	S	91	Very high	92.5	Very high	40 Å²	40	34 Å²	34	28%	0.28	18%	0.175	S	C	.	.	H	α-helix	trans	-66.6	-32.2	178.8	-56.7	0	0	0	0	112.7	R102 E103 T108 G109 Q110 M111	R102-S105 PolarHBondContact O-N 3.11Å; E103-S105 PolarHBondContact O-N 3.11Å; S105-T108 PolarHBondContact O-OG1 2.87Å; S105-G109 PolarHBondContact O-N 3.06Å; S105-Q110 PolarHBondContact O-N 3.41Å; S105-M111 PolarHBondContact O-N 2.97Å; S105-M111 VanDerWaalsContact O-N 3.1Å
106	N	92.6	Very high	92.7	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-76.7	-40.1	175.3	-82.3	-92.8	0	0	0	112.3	R102 E103 G104 G109 M111 T113 Y133 A134 L137	R102-N106 WeakPolarHBondContact O-CB 3.4Å; R102-N106 PolarHBondContact O-N 2.99Å; R102-N106 PolarHBondContact O-ND2 3.02Å; E103-N106 PolarHBondContact O-N 3.29Å; G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 3.19Å; N106-G109 PolarHBondContact O-N 2.98Å; N106-M111 WeakPolarHBondContact CA-O 3.21Å; N106-M111 WeakPolarHBondContact ND2-CE 3.34Å; N106-T113 PolarHBondContact ND2-OG1 3.2Å; N106-T113 WeakPolarHBondContact OD1-CB 3.32Å; N106-T113 PolarHBondContact OD1-N 3.03Å; N106-Y133 HydrophobicContact CB-CD1 4.06Å; N106-Y133 HydrophobicContact CB-CE1 4.32Å; N106-A134 HydrophobicContact CB-CB 4.25Å; N106-L137 HydrophobicContact CB-CD1 3.75Å
107	R	89.7	Confident	92.8	Very high	83 Å²	83	34.9 Å²	34.9	31%	0.313	18%	0.179	S	C	.	.	H	α-helix	trans	-63.4	-42	175.5	-73.9	-174.6	-178	-86.2	-2.6	112.1	S85 E103 G104 G109 L137	S85-R107 PolarHBondContact OG-NH2 3.44Å; E103-R107 HydrophobicContact CG-CG 4.35Å; E103-R107 WeakPolarHBondContact O-CG 3.32Å; E103-R107 PolarHBondContact O-N 2.84Å; E103-R107 IonicContact OE1-CZ 3.59Å; E103-R107 VanDerWaalsContact OE1-CZ 3.27Å; E103-R107 IonicContact OE1-NE 2.81Å; E103-R107 PolarHBondContact OE1-NE 3.43Å; E103-R107 IonicContact OE1-NH2 2.87Å; E103-R107 PolarHBondContact OE1-NH2 3.47Å; G104-R107 PolarHBondContact O-N 3.1Å; R107-G109 VanDerWaalsContact C-N 3.26Å; R107-G109 PolarHBondContact O-N 3.16Å; R107-L137 HydrophobicContact CG-CD1 4.33Å
108	T	86.7	Confident	92.9	Very high	84 Å²	84	31.7 Å²	31.7	52%	0.515	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.7	177.6	58.1	0	0	0	0	113.6	G104 S105 Q110	G104-T108 WeakPolarHBondContact O-CB 3.49Å; G104-T108 WeakPolarHBondContact O-CG2 3.47Å; G104-T108 PolarHBondContact O-N 3.23Å; G104-T108 PolarHBondContact O-OG1 2.87Å; S105-T108 PolarHBondContact O-OG1 2.87Å; T108-Q110 VanDerWaalsContact C-N 3.26Å; T108-Q110 PolarHBondContact O-N 3.31Å
109	G	86.5	Confident	93	Very high	24 Å²	24	31.8 Å²	31.8	25%	0.247	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	25.3	-176.6	0	0	0	0	0	113.7	S105 N106 R107 R193 T231	S105-G109 PolarHBondContact O-N 3.06Å; N106-G109 PolarHBondContact O-N 2.98Å; R107-G109 VanDerWaalsContact C-N 3.26Å; R107-G109 PolarHBondContact O-N 3.16Å; G109-R193 PolarHBondContact O-NH1 3.45Å; G109-T231 PolarHBondContact O-OG1 3.38Å; G109-T231 VanDerWaalsContact O-OG1 3.06Å
110	Q	88	Confident	93.1	Very high	98 Å²	98	36.8 Å²	36.8	46%	0.458	19%	0.19	S	C	.	.	S	Bend	trans	-73.4	-36.1	169.5	-68.8	-178.7	-3.2	0	0	110.8	S105 T108 T231 K232	S105-Q110 PolarHBondContact O-N 3.41Å; T108-Q110 VanDerWaalsContact C-N 3.26Å; T108-Q110 PolarHBondContact O-N 3.31Å; Q110-T231 PolarHBondContact O-N 3.33Å; Q110-T231 VanDerWaalsContact O-N 3.08Å; Q110-T231 PolarHBondContact O-OG1 3.24Å; Q110-K232 HydrophobicContact CG-CD 4.46Å; Q110-K232 PolarHBondContact O-N 3.2Å
111	M	91.4	Very high	93.1	Very high	27 Å²	27	37.7 Å²	37.7	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.3	178.3	-177.2	171.5	72.4	0	0	109.1	R102 S105 N106 T113 D228 H229	R102-M111 HydrophobicContact CB-CE 3.55Å; R102-M111 HydrophobicContact CG-CE 3.48Å; R102-M111 VanDerWaalsContact CG-CE 3.48Å; S105-M111 PolarHBondContact O-N 2.97Å; S105-M111 VanDerWaalsContact O-N 3.1Å; N106-M111 WeakPolarHBondContact CA-O 3.21Å; N106-M111 WeakPolarHBondContact ND2-CE 3.34Å; M111-T113 WeakPolarHBondContact CE-OG1 3.46Å; M111-D228 HydrophobicContact CG-CB 4.37Å; M111-D228 HydrophobicContact SD-CB 3.84Å; M111-H229 CarbonylContact C-O 3.56Å; M111-H229 WeakPolarHBondContact CA-O 3.29Å
112	S	93.3	Very high	93	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.4	171.1	-166	0	0	0	0	107.5	Y177 H229	S112-Y177 VanDerWaalsContact CB-OH 3.31Å; S112-Y177 WeakPolarHBondContact CB-OH 3.4Å; S112-Y177 WeakPolarHBondContact OG-CE2 3.37Å; S112-Y177 PolarHBondContact OG-OH 3.05Å; S112-H229 PolarHBondContact N-O 3.02Å; S112-H229 WeakPolarHBondContact O-CB 3.48Å; S112-H229 PolarHBondContact O-N 2.83Å
113	T	96	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.9	-177.1	-61.4	0	0	0	0	109.9	N106 M111 I115 Y133 I226 Y227 D228	N106-T113 PolarHBondContact ND2-OG1 3.2Å; N106-T113 WeakPolarHBondContact OD1-CB 3.32Å; N106-T113 PolarHBondContact OD1-N 3.03Å; M111-T113 WeakPolarHBondContact CE-OG1 3.46Å; T113-I115 HydrophobicContact CG2-CG1 4.39Å; T113-Y133 HydrophobicContact CG2-CD1 4.34Å; T113-Y133 WeakPolarHBondContact O-CB 2.87Å; T113-Y133 PolarHBondContact O-N 2.94Å; T113-I226 HydrophobicContact CG2-CG2 3.43Å; T113-I226 VanDerWaalsContact CG2-CG2 3.43Å; T113-Y227 CarbonylContact C-O 3.56Å; T113-Y227 WeakPolarHBondContact CA-O 3.36Å; T113-D228 VanDerWaalsContact CG2-OD1 3.29Å; T113-D228 WeakPolarHBondContact CG2-OD1 3.29Å; T113-D228 PolarHBondContact OG1-OD1 3.28Å
114	I	96.7	Very high	92.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.3	170.4	-64	158.1	0	0	0	108.3	Y130 I131 L159 Y177 L189 L198 F200 Y227	I114-Y130 HydrophobicContact CG2-CD1 3.95Å; I114-Y130 HydrophobicContact CG2-CG 4.39Å; I114-I131 CarbonylContact C-O 3.53Å; I114-I131 WeakPolarHBondContact CA-O 3.26Å; I114-L159 HydrophobicContact CD1-CD1 4.46Å; I114-L159 HydrophobicContact CG1-CD1 4.05Å; I114-L159 HydrophobicContact CG2-CD1 4.17Å; I114-Y177 HydrophobicContact CD1-CD1 4.2Å; I114-Y177 HydrophobicContact CD1-CD2 4.09Å; I114-Y177 HydrophobicContact CD1-CE1 3.79Å; I114-Y177 HydrophobicContact CD1-CE2 3.64Å; I114-Y177 HydrophobicContact CD1-CG 4.35Å; I114-Y177 VanDerWaalsContact CD1-CZ 3.46Å; I114-Y177 HydrophobicContact CG1-CD2 4.2Å; I114-Y177 HydrophobicContact CG1-CE2 3.67Å; I114-L189 HydrophobicContact CD1-CD1 3.59Å; I114-L189 HydrophobicContact CG1-CD1 4.42Å; I114-L189 HydrophobicContact CG2-CD1 4.29Å; I114-L198 HydrophobicContact CD1-CD1 4.27Å; I114-F200 HydrophobicContact CB-CE1 4.33Å; I114-F200 HydrophobicContact CD1-CE1 3.96Å; I114-F200 HydrophobicContact CD1-CZ 3.52Å; I114-F200 HydrophobicContact CG2-CE1 4.1Å; I114-Y227 PolarHBondContact N-O 2.99Å; I114-Y227 PolarHBondContact O-N 3.23Å
115	I	97	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.9	-178.4	-44.1	164.3	0	0	0	107.8	L95 L99 T113 I117 Y130 I131 Y133 L152 V224	L95-I115 HydrophobicContact CD1-CG2 4.34Å; L99-I115 HydrophobicContact CD1-CD1 3.91Å; L99-I115 HydrophobicContact CD2-CD1 3.43Å; L99-I115 VanDerWaalsContact CD2-CD1 3.43Å; L99-I115 HydrophobicContact CD2-CG1 3.85Å; L99-I115 HydrophobicContact CG-CD1 4.33Å; T113-I115 HydrophobicContact CG2-CG1 4.39Å; I115-I117 HydrophobicContact CG2-CD1 4.02Å; I115-I117 HydrophobicContact CG2-CG1 3.74Å; I115-Y130 CarbonylContact O-C 3.5Å; I115-Y130 WeakPolarHBondContact O-CA 3.39Å; I115-I131 HydrophobicContact CB-CB 4.31Å; I115-I131 PolarHBondContact N-O 2.91Å; I115-I131 PolarHBondContact O-N 3.06Å; I115-Y133 HydrophobicContact CD1-CD2 3.8Å; I115-Y133 HydrophobicContact CD1-CG 3.93Å; I115-L152 HydrophobicContact CD1-CD2 3.98Å; I115-V224 HydrophobicContact CG2-CG1 4.43Å
116	F	96.9	Very high	93.4	Very high	25 Å²	25	46.8 Å²	46.8	11%	0.11	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.9	164.6	179.9	-104.2	0	0	0	109.1	R118 G129 Y130 Q223 V224 V225 Y227	F116-R118 HydrophobicContact CE1-CB 4.12Å; F116-R118 HydrophobicContact CZ-CB 4.25Å; F116-G129 WeakPolarHBondContact CA-O 3.43Å; F116-Y130 HydrophobicContact CB-CD1 3.77Å; F116-Y130 HydrophobicContact CB-CE1 3.63Å; F116-Y130 AromaticContact CD2-CD1 3.79Å; F116-Y130 HydrophobicContact CD2-CD1 3.79Å; F116-Y130 HydrophobicContact CD2-CD2 4.39Å; F116-Y130 AromaticContact CD2-CE1 3.45Å; F116-Y130 HydrophobicContact CD2-CE1 3.45Å; F116-Y130 VanDerWaalsContact CD2-CE1 3.45Å; F116-Y130 HydrophobicContact CD2-CE2 4.06Å; F116-Y130 HydrophobicContact CD2-CG 4.24Å; F116-Y130 AromaticContact CD2-CZ 3.56Å; F116-Y130 HydrophobicContact CE2-CE1 4.42Å; F116-Y130 HydrophobicContact CE2-CE2 4.39Å; F116-Y130 HydrophobicContact CG-CD1 4.24Å; F116-Y130 AromaticContact CG-CE1 3.84Å; F116-Y130 HydrophobicContact CG-CE1 3.84Å; F116-Q223 HydrophobicContact CE1-CB 4.49Å; F116-Q223 HydrophobicContact CE1-CG 4.34Å; F116-V224 WeakPolarHBondContact O-CA 3.49Å; F116-V225 HydrophobicContact CB-CB 4.14Å; F116-V225 HydrophobicContact CD1-CB 4.43Å; F116-V225 HydrophobicContact CD1-CG2 4.23Å; F116-V225 PolarHBondContact N-O 3.08Å; F116-V225 PolarHBondContact O-N 3.44Å; F116-Y227 HydrophobicContact CB-CE2 4.13Å
117	I	97.2	Very high	93.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.6	173.7	-60.2	-177.1	0	0	0	107.9	L95 I115 D119 S128 G129 I131 L152 Y221 Q223	L95-I117 HydrophobicContact CD2-CD1 4.1Å; I115-I117 HydrophobicContact CG2-CD1 4.02Å; I115-I117 HydrophobicContact CG2-CG1 3.74Å; I117-D119 HydrophobicContact CG2-CB 4.13Å; I117-S128 CarbonylContact O-C 3.56Å; I117-S128 WeakPolarHBondContact O-CA 3.31Å; I117-G129 PolarHBondContact N-O 3.36Å; I117-G129 VanDerWaalsContact N-O 3.11Å; I117-G129 PolarHBondContact O-N 2.89Å; I117-I131 HydrophobicContact CD1-CD1 4.04Å; I117-L152 HydrophobicContact CD1-CB 4.2Å; I117-L152 HydrophobicContact CD1-CD2 3.94Å; I117-L152 HydrophobicContact CD1-CG 3.82Å; I117-L152 WeakPolarHBondContact CD1-O 3.45Å; I117-Y221 HydrophobicContact CD1-CE1 4.46Å; I117-Y221 HydrophobicContact CG2-CD1 3.67Å; I117-Y221 HydrophobicContact CG2-CE1 4.06Å; I117-Q223 WeakPolarHBondContact CA-O 3.19Å
118	R	96.7	Very high	94	Very high	72 Å²	72	43.3 Å²	43.3	27%	0.272	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.1	165.5	-178.2	179.4	-178.5	-176.6	-0.2	108	F116 E126 I127 L222 Q223	F116-R118 HydrophobicContact CE1-CB 4.12Å; F116-R118 HydrophobicContact CZ-CB 4.25Å; R118-E126 HydrophobicContact CG-CG 4.46Å; R118-E126 IonicContact CZ-OE1 3.06Å; R118-E126 IonicContact NE-OE1 3.9Å; R118-E126 PolarHBondContact NE-OE1 2.76Å; R118-E126 IonicContact NH2-OE1 2.58Å; R118-E126 PolarHBondContact NH2-OE1 3.19Å; R118-E126 IonicContact NH2-OE2 2.96Å; R118-I127 CarbonylContact C-O 3.54Å; R118-I127 WeakPolarHBondContact CA-O 3.45Å; R118-L222 WeakPolarHBondContact O-CB 3.43Å; R118-L222 PolarHBondContact O-N 2.86Å; R118-Q223 HydrophobicContact CB-CB 3.86Å; R118-Q223 PolarHBondContact N-O 2.94Å; R118-Q223 PolarHBondContact O-N 3.14Å
119	D	96.9	Very high	94.4	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	175	-173.7	-169.4	39.8	0	0	0	111.9	I117 I127 K151 L153 Y221	I117-D119 HydrophobicContact CG2-CB 4.13Å; D119-I127 PolarHBondContact N-O 3.41Å; D119-I127 VanDerWaalsContact O-CG1 3.27Å; D119-I127 WeakPolarHBondContact O-CG1 3.43Å; D119-I127 PolarHBondContact O-N 2.71Å; D119-K151 IonicContact OD1-NZ 2.97Å; D119-K151 PolarHBondContact OD1-NZ 2.98Å; D119-K151 VanDerWaalsContact OD2-CD 3.26Å; D119-K151 WeakPolarHBondContact OD2-CD 3.47Å; D119-K151 WeakPolarHBondContact OD2-CE 3.38Å; D119-K151 IonicContact OD2-NZ 3.22Å; D119-K151 PolarHBondContact OD2-NZ 2.81Å; D119-L153 HydrophobicContact CB-CD2 3.88Å; D119-L153 WeakPolarHBondContact OD2-CD2 3.42Å; D119-Y221 HydrophobicContact CB-CD1 3.99Å
120	Q	95.4	Very high	94.9	Very high	104 Å²	104	39.7 Å²	39.7	49%	0.486	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140	178.3	-66.6	177	-7.8	0	0	113	Q125	Q120-Q125 CarbonylContact C-O 3.46Å; Q120-Q125 WeakPolarHBondContact CA-O 3.47Å
121	N	93.3	Very high	95.4	Very high	35 Å²	35	35 Å²	35	19%	0.187	18%	0.178	C	C	.	.			trans	-78.1	178.8	171.6	74.3	15.2	0	0	0	111.7	R123 G124 Q125 I127	N121-R123 PolarHBondContact O-N 3.21Å; N121-R123 VanDerWaalsContact O-N 3.1Å; N121-R123 WeakPolarHBondContact OD1-CA 3.45Å; N121-R123 WeakPolarHBondContact OD1-CB 3.31Å; N121-R123 PolarHBondContact OD1-N 3.21Å; N121-G124 PolarHBondContact O-N 3.23Å; N121-G124 PolarHBondContact OD1-N 3.22Å; N121-Q125 PolarHBondContact N-O 2.97Å; N121-Q125 PolarHBondContact ND2-OE1 2.87Å; N121-Q125 PolarHBondContact OD1-N 3.02Å; N121-I127 HydrophobicContact CB-CD1 4.03Å; N121-I127 HydrophobicContact CB-CG1 4.45Å
122	S	91.5	Very high	95.6	Very high	129 Å²	129	33.8 Å²	33.8	90%	0.902	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.4	179.6	55.2	0	0	0	0	114.9
123	R	92.5	Very high	95.8	Very high	192 Å²	192	33.5 Å²	33.5	73%	0.725	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	3.1	175	-64.3	174.2	63.1	-161.3	0.7	112.4	N121 Q125	N121-R123 PolarHBondContact O-N 3.21Å; N121-R123 VanDerWaalsContact O-N 3.1Å; N121-R123 WeakPolarHBondContact OD1-CA 3.45Å; N121-R123 WeakPolarHBondContact OD1-CB 3.31Å; N121-R123 PolarHBondContact OD1-N 3.21Å; R123-Q125 VanDerWaalsContact C-N 3.27Å; R123-Q125 HydrophobicContact CB-CG 3.91Å
124	G	93.2	Very high	95.7	Very high	34 Å²	34	33.8 Å²	33.8	35%	0.351	17%	0.172	S	C	.	.	S	Bend	trans	81.2	1.8	-175.1	0	0	0	0	0	114.3	N121	N121-G124 PolarHBondContact O-N 3.23Å; N121-G124 PolarHBondContact OD1-N 3.22Å
125	Q	94.5	Very high	95.5	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.061	18%	0.183	C	C	.	.			trans	-80.8	131.9	-176.7	-37.7	-174.6	-73.2	0	0	110.8	Q120 N121 R123 I127 N163 E165	Q120-Q125 CarbonylContact C-O 3.46Å; Q120-Q125 WeakPolarHBondContact CA-O 3.47Å; N121-Q125 PolarHBondContact N-O 2.97Å; N121-Q125 PolarHBondContact ND2-OE1 2.87Å; N121-Q125 PolarHBondContact OD1-N 3.02Å; R123-Q125 VanDerWaalsContact C-N 3.27Å; R123-Q125 HydrophobicContact CB-CG 3.91Å; Q125-I127 PolarHBondContact O-N 2.97Å; Q125-N163 PolarHBondContact OE1-ND2 3.31Å; Q125-E165 VanDerWaalsContact CA-OE1 3.29Å; Q125-E165 WeakPolarHBondContact CA-OE1 3.43Å; Q125-E165 VanDerWaalsContact CB-CD 3.5Å; Q125-E165 HydrophobicContact CB-CG 4.11Å; Q125-E165 WeakPolarHBondContact CB-OE2 3.39Å; Q125-E165 WeakPolarHBondContact CG-OE2 3.2Å; Q125-E165 PolarHBondContact NE2-OE2 3.33Å
126	E	96.5	Very high	95.4	Very high	44 Å²	44	37.2 Å²	37.2	21%	0.206	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.2	177.6	-168.5	-174.6	131.2	0	0	110.8	R118 W164 L222	R118-E126 HydrophobicContact CG-CG 4.46Å; R118-E126 IonicContact CZ-OE1 3.06Å; R118-E126 IonicContact NE-OE1 3.9Å; R118-E126 PolarHBondContact NE-OE1 2.76Å; R118-E126 IonicContact NH2-OE1 2.58Å; R118-E126 PolarHBondContact NH2-OE1 3.19Å; R118-E126 IonicContact NH2-OE2 2.96Å; E126-W164 HydrophobicContact CB-CB 4.06Å; E126-W164 HydrophobicContact CB-CG 4.3Å; E126-W164 HydrophobicContact CG-CB 4.41Å; E126-W164 HydrophobicContact CG-CG 4.13Å; E126-W164 WeakPolarHBondContact O-CB 3.1Å; E126-W164 PolarHBondContact O-N 2.55Å; E126-L222 HydrophobicContact CG-CD1 4.15Å
127	I	97.4	Very high	95.2	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.8	179.9	58.1	169.5	0	0	0	110	R118 D119 N121 Q125 L153 P154 F161 Y162 N163	R118-I127 CarbonylContact C-O 3.54Å; R118-I127 WeakPolarHBondContact CA-O 3.45Å; D119-I127 PolarHBondContact N-O 3.41Å; D119-I127 VanDerWaalsContact O-CG1 3.27Å; D119-I127 WeakPolarHBondContact O-CG1 3.43Å; D119-I127 PolarHBondContact O-N 2.71Å; N121-I127 HydrophobicContact CB-CD1 4.03Å; N121-I127 HydrophobicContact CB-CG1 4.45Å; Q125-I127 PolarHBondContact O-N 2.97Å; I127-L153 HydrophobicContact CD1-CB 4.16Å; I127-L153 HydrophobicContact CD1-CD1 4.49Å; I127-L153 HydrophobicContact CD1-CD2 4.49Å; I127-P154 HydrophobicContact CD1-CG 4.02Å; I127-P154 HydrophobicContact CG1-CG 4.19Å; I127-F161 HydrophobicContact CB-CE2 4.12Å; I127-F161 HydrophobicContact CB-CZ 4.44Å; I127-F161 HydrophobicContact CD1-CE2 4.27Å; I127-F161 HydrophobicContact CG2-CE2 4.04Å; I127-F161 HydrophobicContact CG2-CZ 3.9Å; I127-Y162 CarbonylContact C-O 3.55Å; I127-Y162 VanDerWaalsContact CA-O 3.25Å; I127-Y162 WeakPolarHBondContact CA-O 3.44Å; I127-N163 HydrophobicContact CG2-CB 4.26Å
128	S	96.8	Very high	94.8	Very high	8 Å²	8	43.9 Å²	43.9	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.5	171.5	57.7	0	0	0	0	112	I117 F161 Y162 W164	I117-S128 CarbonylContact O-C 3.56Å; I117-S128 WeakPolarHBondContact O-CA 3.31Å; S128-F161 CarbonylContact O-C 3.58Å; S128-Y162 PolarHBondContact N-O 3.04Å; S128-Y162 PolarHBondContact O-N 2.82Å; S128-W164 PolarHBondContact OG-NE1 2.78Å
129	G	95.9	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	161	178.3	0	0	0	0	0	113.9	F116 I117 S160	F116-G129 WeakPolarHBondContact CA-O 3.43Å; I117-G129 PolarHBondContact N-O 3.36Å; I117-G129 VanDerWaalsContact N-O 3.11Å; I117-G129 PolarHBondContact O-N 2.89Å; G129-S160 WeakPolarHBondContact CA-O 3.42Å; G129-S160 WeakPolarHBondContact CA-OG 3.34Å
130	Y	96.3	Very high	94.3	Very high	32 Å²	32	45.7 Å²	45.7	13%	0.125	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.5	171.6	-64.3	-76.7	0	0	0	109.7	I114 I115 F116 D158 L159 S160 L187 F200 Y227	I114-Y130 HydrophobicContact CG2-CD1 3.95Å; I114-Y130 HydrophobicContact CG2-CG 4.39Å; I115-Y130 CarbonylContact O-C 3.5Å; I115-Y130 WeakPolarHBondContact O-CA 3.39Å; F116-Y130 HydrophobicContact CB-CD1 3.77Å; F116-Y130 HydrophobicContact CB-CE1 3.63Å; F116-Y130 AromaticContact CD2-CD1 3.79Å; F116-Y130 HydrophobicContact CD2-CD1 3.79Å; F116-Y130 HydrophobicContact CD2-CD2 4.39Å; F116-Y130 AromaticContact CD2-CE1 3.45Å; F116-Y130 HydrophobicContact CD2-CE1 3.45Å; F116-Y130 VanDerWaalsContact CD2-CE1 3.45Å; F116-Y130 HydrophobicContact CD2-CE2 4.06Å; F116-Y130 HydrophobicContact CD2-CG 4.24Å; F116-Y130 AromaticContact CD2-CZ 3.56Å; F116-Y130 HydrophobicContact CE2-CE1 4.42Å; F116-Y130 HydrophobicContact CE2-CE2 4.39Å; F116-Y130 HydrophobicContact CG-CD1 4.24Å; F116-Y130 AromaticContact CG-CE1 3.84Å; F116-Y130 HydrophobicContact CG-CE1 3.84Å; Y130-D158 WeakPolarHBondContact O-CB 3.15Å; Y130-L159 WeakPolarHBondContact O-CA 3.44Å; Y130-L159 VanDerWaalsContact O-CB 3.29Å; Y130-L159 WeakPolarHBondContact O-CB 3.45Å; Y130-L159 PolarHBondContact O-N 2.94Å; Y130-S160 WeakPolarHBondContact CD2-OG 3.25Å; Y130-S160 PolarHBondContact N-O 3.24Å; Y130-S160 PolarHBondContact N-OG 3.1Å; Y130-S160 PolarHBondContact O-N 3.38Å; Y130-S160 VanDerWaalsContact O-N 3.16Å; Y130-L187 HydrophobicContact CD2-CD2 3.5Å; Y130-L187 HydrophobicContact CE2-CD2 3.86Å; Y130-L187 HydrophobicContact CG-CD2 4.5Å; Y130-F200 HydrophobicContact CD1-CD1 4.12Å; Y130-F200 HydrophobicContact CD1-CG 4.44Å; Y130-F200 HydrophobicContact CE1-CB 3.87Å; Y130-F200 AromaticContact CE1-CD1 3.72Å; Y130-F200 HydrophobicContact CE1-CD1 3.72Å; Y130-F200 AromaticContact CE1-CG 3.87Å; Y130-F200 HydrophobicContact CE1-CG 3.87Å; Y130-F200 HydrophobicContact CE2-CB 4.47Å; Y130-F200 WeakPolarHBondContact OH-CB 3.41Å; Y130-Y227 HydrophobicContact CE1-CE2 4.01Å
131	I	97	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	-179	-55.4	173.6	0	0	0	108.4	I114 I115 I117 Y133 R136 L152 P154 D158	I114-I131 CarbonylContact C-O 3.53Å; I114-I131 WeakPolarHBondContact CA-O 3.26Å; I115-I131 HydrophobicContact CB-CB 4.31Å; I115-I131 PolarHBondContact N-O 2.91Å; I115-I131 PolarHBondContact O-N 3.06Å; I117-I131 HydrophobicContact CD1-CD1 4.04Å; I131-Y133 PolarHBondContact O-N 2.83Å; I131-R136 HydrophobicContact CG2-CB 4.22Å; I131-R136 HydrophobicContact CG2-CG 4.13Å; I131-L152 HydrophobicContact CD1-CD1 4.42Å; I131-L152 HydrophobicContact CD1-CG 4.25Å; I131-P154 HydrophobicContact CD1-CB 4.4Å; I131-P154 HydrophobicContact CG1-CB 4.37Å; I131-D158 HydrophobicContact CG1-CB 4.19Å
132	D	96.4	Very high	93.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	104.6	168.1	-179.2	-22.5	0	0	0	109	A134 H135 R136 L159 S174 N176	D132-A134 PolarHBondContact O-N 3.12Å; D132-A134 PolarHBondContact OD1-N 3.44Å; D132-A134 VanDerWaalsContact OD1-N 3.12Å; D132-H135 HydrophobicContact CB-CB 3.8Å; D132-H135 VanDerWaalsContact CG-CB 3.45Å; D132-H135 PolarHBondContact O-N 2.7Å; D132-H135 PolarHBondContact OD1-N 2.8Å; D132-R136 WeakPolarHBondContact O-CB 3.3Å; D132-R136 PolarHBondContact O-N 2.87Å; D132-L159 HydrophobicContact CB-CD1 3.73Å; D132-L159 HydrophobicContact CB-CD2 4.38Å; D132-L159 HydrophobicContact CB-CG 3.94Å; D132-S174 VanDerWaalsContact OD2-CB 3.28Å; D132-S174 WeakPolarHBondContact OD2-CB 3.18Å; D132-S174 PolarHBondContact OD2-OG 2.93Å; D132-N176 PolarHBondContact OD1-ND2 2.72Å; D132-N176 VanDerWaalsContact OD1-ND2 3.09Å; D132-N176 WeakPolarHBondContact OD2-CB 3.21Å; D132-N176 PolarHBondContact OD2-ND2 3.01Å
133	Y	96.7	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-41.1	-174.6	-176.2	-140.7	0	0	0	112.2	L99 R102 N106 T113 I115 I131 H135 R136 L137 F142 F146	L99-Y133 HydrophobicContact CB-CE1 4.37Å; L99-Y133 HydrophobicContact CB-CE2 4.31Å; L99-Y133 HydrophobicContact CD1-CE2 4.43Å; L99-Y133 HydrophobicContact CD2-CD1 4.27Å; L99-Y133 HydrophobicContact CD2-CD2 4.35Å; L99-Y133 HydrophobicContact CD2-CE1 4.16Å; L99-Y133 HydrophobicContact CD2-CE2 4.28Å; L99-Y133 HydrophobicContact CD2-CG 4.36Å; L99-Y133 PolarHBondContact O-OH 3.21Å; R102-Y133 HydrophobicContact CB-CE1 4.09Å; N106-Y133 HydrophobicContact CB-CD1 4.06Å; N106-Y133 HydrophobicContact CB-CE1 4.32Å; T113-Y133 HydrophobicContact CG2-CD1 4.34Å; T113-Y133 WeakPolarHBondContact O-CB 2.87Å; T113-Y133 PolarHBondContact O-N 2.94Å; I115-Y133 HydrophobicContact CD1-CD2 3.8Å; I115-Y133 HydrophobicContact CD1-CG 3.93Å; I131-Y133 PolarHBondContact O-N 2.83Å; Y133-H135 VanDerWaalsContact C-N 3.34Å; Y133-H135 PolarHBondContact O-N 2.96Å; Y133-R136 PolarHBondContact O-N 2.88Å; Y133-L137 HydrophobicContact CD1-CD1 4.01Å; Y133-L137 HydrophobicContact CD2-CD1 4.1Å; Y133-L137 HydrophobicContact CD2-CG 3.91Å; Y133-L137 HydrophobicContact CE1-CD1 3.72Å; Y133-L137 HydrophobicContact CE1-CG 4.44Å; Y133-L137 HydrophobicContact CE2-CD1 3.78Å; Y133-L137 HydrophobicContact CE2-CD2 3.72Å; Y133-L137 HydrophobicContact CE2-CG 3.56Å; Y133-L137 HydrophobicContact CG-CD1 4.2Å; Y133-L137 HydrophobicContact CG-CG 4.46Å; Y133-L137 WeakPolarHBondContact O-CB 3.46Å; Y133-L137 WeakPolarHBondContact O-CG 3.29Å; Y133-L137 PolarHBondContact O-N 3.24Å; Y133-F142 AromaticContact CD2-CE1 3.98Å; Y133-F142 HydrophobicContact CD2-CE1 3.98Å; Y133-F142 AromaticContact CD2-CZ 3.94Å; Y133-F142 HydrophobicContact CD2-CZ 3.94Å; Y133-F142 AromaticContact CE2-CD1 3.87Å; Y133-F142 HydrophobicContact CE2-CD1 3.87Å; Y133-F142 AromaticContact CE2-CE1 3.45Å; Y133-F142 HydrophobicContact CE2-CE1 3.45Å; Y133-F142 VanDerWaalsContact CE2-CE1 3.45Å; Y133-F142 AromaticContact CE2-CZ 3.84Å; Y133-F142 HydrophobicContact CE2-CZ 3.84Å; Y133-F146 WeakPolarHBondContact OH-CZ 3.33Å
134	A	94	Very high	93.8	Very high	6 Å²	6	33.1 Å²	33.1	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-36.6	179.8	0	0	0	0	0	111.9	N106 D132 K138	N106-A134 HydrophobicContact CB-CB 4.25Å; D132-A134 PolarHBondContact O-N 3.12Å; D132-A134 PolarHBondContact OD1-N 3.44Å; D132-A134 VanDerWaalsContact OD1-N 3.12Å; A134-K138 WeakPolarHBondContact O-CG 2.79Å
135	H	94.4	Very high	93.8	Very high	50 Å²	50	31.6 Å²	31.6	23%	0.231	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-41.2	172	-179.1	-127.9	0	0	0	111.5	D132 Y133 K138 T139 P175	D132-H135 HydrophobicContact CB-CB 3.8Å; D132-H135 VanDerWaalsContact CG-CB 3.45Å; D132-H135 PolarHBondContact O-N 2.7Å; D132-H135 PolarHBondContact OD1-N 2.8Å; Y133-H135 VanDerWaalsContact C-N 3.34Å; Y133-H135 PolarHBondContact O-N 2.96Å; H135-K138 PolarHBondContact O-N 2.88Å; H135-T139 PolarHBondContact O-N 2.65Å; H135-T139 PolarHBondContact O-OG1 3.19Å; H135-P175 VanDerWaalsContact CD2-CD 3.45Å; H135-P175 WeakPolarHBondContact CD2-CD 3.22Å
136	R	93.9	Very high	93.7	Very high	22 Å²	22	31 Å²	31	8%	0.083	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-40.7	-179.8	-139.4	59.7	150	98.4	9.1	112.8	I131 D132 Y133 K138 T139 E140 F142 R155 D158	I131-R136 HydrophobicContact CG2-CB 4.22Å; I131-R136 HydrophobicContact CG2-CG 4.13Å; D132-R136 WeakPolarHBondContact O-CB 3.3Å; D132-R136 PolarHBondContact O-N 2.87Å; Y133-R136 PolarHBondContact O-N 2.88Å; R136-K138 PolarHBondContact O-N 3.46Å; R136-T139 PolarHBondContact O-N 2.99Å; R136-T139 PolarHBondContact O-OG1 3.27Å; R136-E140 IonicContact CZ-OE2 3.23Å; R136-E140 IonicContact NH1-OE2 3.72Å; R136-E140 PolarHBondContact NH1-OE2 3.23Å; R136-E140 IonicContact NH2-OE2 3.67Å; R136-E140 PolarHBondContact O-N 3.5Å; R136-F142 VanDerWaalsContact C-CE2 3.49Å; R136-F142 HydrophobicContact CB-CE2 3.57Å; R136-F142 HydrophobicContact CB-CZ 3.82Å; R136-F142 HydrophobicContact CG-CE2 3.63Å; R136-F142 HydrophobicContact CG-CZ 3.86Å; R136-R155 VanDerWaalsContact NH2-CZ 3.25Å; R136-D158 IonicContact CZ-OD1 3.74Å; R136-D158 IonicContact CZ-OD2 2.82Å; R136-D158 IonicContact NE-OD1 3.26Å; R136-D158 PolarHBondContact NE-OD1 2.93Å; R136-D158 IonicContact NE-OD2 3.24Å; R136-D158 IonicContact NH2-OD1 2.78Å; R136-D158 IonicContact NH2-OD2 3.79Å; R136-D158 PolarHBondContact NH2-OD2 3.31Å
137	L	92.6	Very high	93.4	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-25.6	175.2	-77.8	170.1	0	0	0	113.6	E103 N106 R107 Y133 F142	E103-L137 HydrophobicContact CG-CD1 4.38Å; E103-L137 HydrophobicContact CG-CD2 4.12Å; N106-L137 HydrophobicContact CB-CD1 3.75Å; R107-L137 HydrophobicContact CG-CD1 4.33Å; Y133-L137 HydrophobicContact CD1-CD1 4.01Å; Y133-L137 HydrophobicContact CD2-CD1 4.1Å; Y133-L137 HydrophobicContact CD2-CG 3.91Å; Y133-L137 HydrophobicContact CE1-CD1 3.72Å; Y133-L137 HydrophobicContact CE1-CG 4.44Å; Y133-L137 HydrophobicContact CE2-CD1 3.78Å; Y133-L137 HydrophobicContact CE2-CD2 3.72Å; Y133-L137 HydrophobicContact CE2-CG 3.56Å; Y133-L137 HydrophobicContact CG-CD1 4.2Å; Y133-L137 HydrophobicContact CG-CG 4.46Å; Y133-L137 WeakPolarHBondContact O-CB 3.46Å; Y133-L137 WeakPolarHBondContact O-CG 3.29Å; Y133-L137 PolarHBondContact O-N 3.24Å; L137-F142 HydrophobicContact CD2-CB 3.91Å; L137-F142 HydrophobicContact CD2-CD1 4.13Å; L137-F142 HydrophobicContact CD2-CD2 3.84Å; L137-F142 HydrophobicContact CD2-CE2 4.42Å; L137-F142 HydrophobicContact CD2-CG 3.66Å; L137-F142 HydrophobicContact CG-CD2 4.39Å
138	K	89.8	Confident	93	Very high	155 Å²	155	36.5 Å²	36.5	67%	0.674	18%	0.18	S	C	*	.	H	α-helix	trans	-88.4	-27.2	178.9	-69.4	177.5	-178	-178.7	0	113.3	A134 H135 R136	A134-K138 WeakPolarHBondContact O-CG 2.79Å; H135-K138 PolarHBondContact O-N 2.88Å; R136-K138 PolarHBondContact O-N 3.46Å
139	T	91.2	Very high	92.7	Very high	82 Å²	82	44.2 Å²	44.2	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-104.6	-17.4	-170.7	50.2	0	0	0	0	113.5	H135 R136	H135-T139 PolarHBondContact O-N 2.65Å; H135-T139 PolarHBondContact O-OG1 3.19Å; R136-T139 PolarHBondContact O-N 2.99Å; R136-T139 PolarHBondContact O-OG1 3.27Å
140	E	90.5	Very high	92.6	Very high	37 Å²	37	48.8 Å²	48.8	17%	0.173	23%	0.232	C	C	.	.	S	Bend	trans	-135.6	145.5	-178.5	-171.3	163.6	175.9	0	0	111.2	R136 F142 Y145 K150 R155	R136-E140 IonicContact CZ-OE2 3.23Å; R136-E140 IonicContact NH1-OE2 3.72Å; R136-E140 PolarHBondContact NH1-OE2 3.23Å; R136-E140 IonicContact NH2-OE2 3.67Å; R136-E140 PolarHBondContact O-N 3.5Å; E140-F142 PolarHBondContact O-N 2.96Å; E140-Y145 HydrophobicContact CG-CE2 4.22Å; E140-Y145 PolarHBondContact OE1-OH 3.4Å; E140-K150 IonicContact OE1-NZ 3.04Å; E140-K150 PolarHBondContact OE1-NZ 2.58Å; E140-R155 IonicContact OE1-CZ 3.56Å; E140-R155 IonicContact OE1-NH1 3.96Å; E140-R155 IonicContact OE1-NH2 2.64Å; E140-R155 PolarHBondContact OE1-NH2 3.06Å; E140-R155 IonicContact OE2-CZ 2.83Å; E140-R155 VanDerWaalsContact OE2-CZ 3.22Å; E140-R155 IonicContact OE2-NH1 3.52Å; E140-R155 PolarHBondContact OE2-NH1 2.83Å; E140-R155 IonicContact OE2-NH2 3.08Å; E140-R155 PolarHBondContact OE2-NH2 2.84Å
141	D	89.4	Confident	92.4	Very high	89 Å²	89	51.3 Å²	51.3	48%	0.476	24%	0.243	S	C	.	.			trans	-69.3	111.8	171.5	178.7	12.6	0	0	0	109.9	I143 V144	D141-I143 VanDerWaalsContact C-N 3.32Å; D141-I143 VanDerWaalsContact OD1-CB 3.22Å; D141-I143 WeakPolarHBondContact OD1-CB 3.36Å; D141-I143 WeakPolarHBondContact OD1-CG1 3.36Å; D141-I143 PolarHBondContact OD1-N 3.1Å; D141-V144 WeakPolarHBondContact O-CG2 3.38Å
142	F	91.5	Very high	92.3	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.1	-179.8	-102.1	-103.6	0	0	0	114.5	Y133 R136 L137 E140 V144 Y145 F146 L152	Y133-F142 AromaticContact CD2-CE1 3.98Å; Y133-F142 HydrophobicContact CD2-CE1 3.98Å; Y133-F142 AromaticContact CD2-CZ 3.94Å; Y133-F142 HydrophobicContact CD2-CZ 3.94Å; Y133-F142 AromaticContact CE2-CD1 3.87Å; Y133-F142 HydrophobicContact CE2-CD1 3.87Å; Y133-F142 AromaticContact CE2-CE1 3.45Å; Y133-F142 HydrophobicContact CE2-CE1 3.45Å; Y133-F142 VanDerWaalsContact CE2-CE1 3.45Å; Y133-F142 AromaticContact CE2-CZ 3.84Å; Y133-F142 HydrophobicContact CE2-CZ 3.84Å; R136-F142 VanDerWaalsContact C-CE2 3.49Å; R136-F142 HydrophobicContact CB-CE2 3.57Å; R136-F142 HydrophobicContact CB-CZ 3.82Å; R136-F142 HydrophobicContact CG-CE2 3.63Å; R136-F142 HydrophobicContact CG-CZ 3.86Å; L137-F142 HydrophobicContact CD2-CB 3.91Å; L137-F142 HydrophobicContact CD2-CD1 4.13Å; L137-F142 HydrophobicContact CD2-CD2 3.84Å; L137-F142 HydrophobicContact CD2-CE2 4.42Å; L137-F142 HydrophobicContact CD2-CG 3.66Å; L137-F142 HydrophobicContact CG-CD2 4.39Å; E140-F142 PolarHBondContact O-N 2.96Å; F142-V144 PolarHBondContact O-N 3.25Å; F142-Y145 AromaticContact CD1-CD2 3.81Å; F142-Y145 HydrophobicContact CD1-CD2 3.81Å; F142-Y145 HydrophobicContact CD1-CG 4.43Å; F142-Y145 HydrophobicContact CD2-CD2 4.28Å; F142-Y145 AromaticContact CE1-CD2 3.95Å; F142-Y145 HydrophobicContact CE1-CD2 3.95Å; F142-Y145 HydrophobicContact CE2-CD2 4.42Å; F142-Y145 HydrophobicContact CE2-CE2 4.49Å; F142-Y145 AromaticContact CG-CD2 3.98Å; F142-Y145 HydrophobicContact CG-CD2 3.98Å; F142-Y145 HydrophobicContact CZ-CD2 4.28Å; F142-Y145 PolarHBondContact O-N 3.34Å; F142-F146 HydrophobicContact CB-CD2 4.03Å; F142-F146 HydrophobicContact CB-CE2 3.71Å; F142-F146 HydrophobicContact CD1-CE2 4.32Å; F142-F146 HydrophobicContact CD1-CZ 4.37Å; F142-F146 HydrophobicContact CG-CE2 4.47Å; F142-F146 VanDerWaalsContact O-CD2 3.26Å; F142-F146 WeakPolarHBondContact O-CD2 3.35Å; F142-F146 PolarHBondContact O-N 3.43Å; F142-L152 HydrophobicContact CE1-CD1 4.42Å; F142-L152 HydrophobicContact CE1-CD2 4.35Å; F142-L152 HydrophobicContact CZ-CD1 4.17Å
143	I	90.2	Very high	92.3	Very high	58 Å²	58	52.9 Å²	52.9	30%	0.297	25%	0.252	S	S	.	.	H	α-helix	trans	-57.7	-34.8	179.4	-64.4	170.3	0	0	0	110.8	D141 Y145 F146 K147	D141-I143 VanDerWaalsContact C-N 3.32Å; D141-I143 VanDerWaalsContact OD1-CB 3.22Å; D141-I143 WeakPolarHBondContact OD1-CB 3.36Å; D141-I143 WeakPolarHBondContact OD1-CG1 3.36Å; D141-I143 PolarHBondContact OD1-N 3.1Å; I143-Y145 VanDerWaalsContact C-N 3.31Å; I143-Y145 PolarHBondContact O-N 2.88Å; I143-F146 PolarHBondContact O-N 3.03Å; I143-K147 HydrophobicContact CG2-CD 3.77Å; I143-K147 VanDerWaalsContact CG2-CE 3.46Å; I143-K147 HydrophobicContact CG2-CG 4.16Å; I143-K147 WeakPolarHBondContact O-CB 3.16Å; I143-K147 WeakPolarHBondContact O-CG 3.39Å; I143-K147 PolarHBondContact O-N 2.93Å
144	V	91.8	Very high	92.3	Very high	48 Å²	48	53.1 Å²	53.1	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-65.5	-32.8	178.5	-57.8	0	0	0	0	113.1	D141 F142 E148 K149 K150	D141-V144 WeakPolarHBondContact O-CG2 3.38Å; F142-V144 PolarHBondContact O-N 3.25Å; V144-E148 PolarHBondContact O-N 2.88Å; V144-K149 PolarHBondContact O-N 2.86Å; V144-K150 HydrophobicContact CB-CB 4.48Å; V144-K150 HydrophobicContact CG2-CB 4.25Å; V144-K150 HydrophobicContact CG2-CD 4.28Å; V144-K150 PolarHBondContact O-N 2.99Å
145	Y	93.2	Very high	92.3	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-78	-41.7	175.4	-59.5	-66.4	0	0	0	110.9	E140 F142 I143 K147 E148 K150 K151 L152 R155	E140-Y145 HydrophobicContact CG-CE2 4.22Å; E140-Y145 PolarHBondContact OE1-OH 3.4Å; F142-Y145 AromaticContact CD1-CD2 3.81Å; F142-Y145 HydrophobicContact CD1-CD2 3.81Å; F142-Y145 HydrophobicContact CD1-CG 4.43Å; F142-Y145 HydrophobicContact CD2-CD2 4.28Å; F142-Y145 AromaticContact CE1-CD2 3.95Å; F142-Y145 HydrophobicContact CE1-CD2 3.95Å; F142-Y145 HydrophobicContact CE2-CD2 4.42Å; F142-Y145 HydrophobicContact CE2-CE2 4.49Å; F142-Y145 AromaticContact CG-CD2 3.98Å; F142-Y145 HydrophobicContact CG-CD2 3.98Å; F142-Y145 HydrophobicContact CZ-CD2 4.28Å; F142-Y145 PolarHBondContact O-N 3.34Å; I143-Y145 VanDerWaalsContact C-N 3.31Å; I143-Y145 PolarHBondContact O-N 2.88Å; Y145-K147 VanDerWaalsContact C-N 3.29Å; Y145-K147 PolarHBondContact O-N 2.78Å; Y145-E148 WeakPolarHBondContact O-CA 3.35Å; Y145-E148 PolarHBondContact O-N 2.82Å; Y145-K150 HydrophobicContact CD1-CB 4.2Å; Y145-K150 HydrophobicContact CD1-CG 4.48Å; Y145-K150 VanDerWaalsContact CD1-O 3.31Å; Y145-K150 WeakPolarHBondContact CD1-O 3.43Å; Y145-K150 HydrophobicContact CE1-CB 4.01Å; Y145-K150 HydrophobicContact CE1-CD 3.85Å; Y145-K150 HydrophobicContact CE1-CG 3.81Å; Y145-K150 WeakPolarHBondContact OH-CE 3.31Å; Y145-K150 PolarHBondContact OH-NZ 2.96Å; Y145-K151 WeakPolarHBondContact CE1-O 3.29Å; Y145-L152 HydrophobicContact CD1-CB 3.9Å; Y145-L152 HydrophobicContact CD1-CD1 4.33Å; Y145-L152 HydrophobicContact CD2-CD1 4.46Å; Y145-L152 HydrophobicContact CE1-CB 4.09Å; Y145-L152 HydrophobicContact CE1-CD1 4.06Å; Y145-L152 HydrophobicContact CE2-CD1 4.23Å; Y145-R155 PolarHBondContact OH-NH2 3.08Å
146	F	92.6	Very high	92.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-32.2	176.2	-68.2	-52.6	0	0	0	113.2	L89 I91 I96 L99 A100 E103 Y133 F142 I143 E148	L89-F146 HydrophobicContact CD1-CB 3.58Å; I91-F146 HydrophobicContact CD1-CD1 4.02Å; I96-F146 HydrophobicContact CG2-CD1 3.58Å; I96-F146 HydrophobicContact CG2-CE1 4.29Å; I96-F146 HydrophobicContact CG2-CG 4.47Å; L99-F146 HydrophobicContact CB-CE1 4.3Å; A100-F146 HydrophobicContact CB-CD1 4.18Å; A100-F146 HydrophobicContact CB-CE1 3.74Å; A100-F146 HydrophobicContact CB-CZ 4.49Å; E103-F146 HydrophobicContact CB-CZ 4.45Å; E103-F146 HydrophobicContact CG-CZ 4.46Å; Y133-F146 WeakPolarHBondContact OH-CZ 3.33Å; F142-F146 HydrophobicContact CB-CD2 4.03Å; F142-F146 HydrophobicContact CB-CE2 3.71Å; F142-F146 HydrophobicContact CD1-CE2 4.32Å; F142-F146 HydrophobicContact CD1-CZ 4.37Å; F142-F146 HydrophobicContact CG-CE2 4.47Å; F142-F146 VanDerWaalsContact O-CD2 3.26Å; F142-F146 WeakPolarHBondContact O-CD2 3.35Å; F142-F146 PolarHBondContact O-N 3.43Å; I143-F146 PolarHBondContact O-N 3.03Å; F146-E148 PolarHBondContact O-N 2.81Å
147	K	90.6	Very high	92.2	Very high	109 Å²	109	59.5 Å²	59.5	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.7	170.8	-69.4	-179.8	179.1	172.4	0	113.6	L89 I143 Y145 K149	L89-K147 HydrophobicContact CD1-CG 4.11Å; L89-K147 HydrophobicContact CD2-CG 4.23Å; I143-K147 HydrophobicContact CG2-CD 3.77Å; I143-K147 VanDerWaalsContact CG2-CE 3.46Å; I143-K147 HydrophobicContact CG2-CG 4.16Å; I143-K147 WeakPolarHBondContact O-CB 3.16Å; I143-K147 WeakPolarHBondContact O-CG 3.39Å; I143-K147 PolarHBondContact O-N 2.93Å; Y145-K147 VanDerWaalsContact C-N 3.29Å; Y145-K147 PolarHBondContact O-N 2.78Å; K147-K149 HydrophobicContact CB-CD 4.41Å; K147-K149 HydrophobicContact CB-CG 4.02Å; K147-K149 PolarHBondContact O-N 2.8Å
148	E	88.9	Confident	92.4	Very high	55 Å²	55	59.4 Å²	59.4	26%	0.257	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	23.8	-178.2	-55.5	-174.3	-163.4	0	0	114.1	T92 C93 V144 Y145 F146 K150 K220	T92-E148 WeakPolarHBondContact CA-OE1 3.33Å; T92-E148 PolarHBondContact N-OE1 3.41Å; C93-E148 HydrophobicContact CB-CG 4.45Å; C93-E148 WeakPolarHBondContact CB-OE1 3.5Å; C93-E148 PolarHBondContact N-OE1 2.87Å; V144-E148 PolarHBondContact O-N 2.88Å; Y145-E148 WeakPolarHBondContact O-CA 3.35Å; Y145-E148 PolarHBondContact O-N 2.82Å; F146-E148 PolarHBondContact O-N 2.81Å; E148-K150 VanDerWaalsContact C-N 3.34Å; E148-K220 IonicContact OE2-NZ 3.27Å; E148-K220 PolarHBondContact OE2-NZ 2.87Å
149	K	90.9	Very high	92.6	Very high	170 Å²	170	52.1 Å²	52.1	74%	0.739	27%	0.269	S	S	*	.	S	Bend	trans	-78.8	-21.4	178	-67.6	-170.7	175.6	-168.5	0	112.6	V144 K147	V144-K149 PolarHBondContact O-N 2.86Å; K147-K149 HydrophobicContact CB-CD 4.41Å; K147-K149 HydrophobicContact CB-CG 4.02Å; K147-K149 PolarHBondContact O-N 2.8Å
150	K	92.2	Very high	92.8	Very high	96 Å²	96	49 Å²	49	42%	0.417	25%	0.25	S	C	.	.	S	Bend	trans	-137.5	143	-179	-169.4	179.4	175.3	-172.6	0	109.4	E140 V144 Y145 E148	E140-K150 IonicContact OE1-NZ 3.04Å; E140-K150 PolarHBondContact OE1-NZ 2.58Å; V144-K150 HydrophobicContact CB-CB 4.48Å; V144-K150 HydrophobicContact CG2-CB 4.25Å; V144-K150 HydrophobicContact CG2-CD 4.28Å; V144-K150 PolarHBondContact O-N 2.99Å; Y145-K150 HydrophobicContact CD1-CB 4.2Å; Y145-K150 HydrophobicContact CD1-CG 4.48Å; Y145-K150 VanDerWaalsContact CD1-O 3.31Å; Y145-K150 WeakPolarHBondContact CD1-O 3.43Å; Y145-K150 HydrophobicContact CE1-CB 4.01Å; Y145-K150 HydrophobicContact CE1-CD 3.85Å; Y145-K150 HydrophobicContact CE1-CG 3.81Å; Y145-K150 WeakPolarHBondContact OH-CE 3.31Å; Y145-K150 PolarHBondContact OH-NZ 2.96Å; E148-K150 VanDerWaalsContact C-N 3.34Å
151	K	92.6	Very high	93	Very high	84 Å²	84	48.1 Å²	48.1	37%	0.365	25%	0.246	S	C	.	.			trans	-82.9	134.3	175	-159.6	173.5	-163.4	-177.4	0	110.3	D119 Y145 L153 K220 Y221	D119-K151 IonicContact OD1-NZ 2.97Å; D119-K151 PolarHBondContact OD1-NZ 2.98Å; D119-K151 VanDerWaalsContact OD2-CD 3.26Å; D119-K151 WeakPolarHBondContact OD2-CD 3.47Å; D119-K151 WeakPolarHBondContact OD2-CE 3.38Å; D119-K151 IonicContact OD2-NZ 3.22Å; D119-K151 PolarHBondContact OD2-NZ 2.81Å; Y145-K151 WeakPolarHBondContact CE1-O 3.29Å; K151-L153 HydrophobicContact CD-CD2 4.27Å; K151-L153 HydrophobicContact CG-CD2 4.34Å; K151-L153 HydrophobicContact CG-CG 4.43Å; K151-L153 PolarHBondContact O-N 2.77Å; K151-K220 WeakPolarHBondContact CE-O 3Å; K151-K220 PolarHBondContact NZ-O 3.16Å; K151-Y221 HydrophobicContact CD-CE1 4.03Å; K151-Y221 HydrophobicContact CG-CD1 4.42Å; K151-Y221 HydrophobicContact CG-CE1 3.48Å; K151-Y221 VanDerWaalsContact CG-CE1 3.48Å; K151-Y221 WeakPolarHBondContact CG-OH 3.45Å
152	L	95.1	Very high	93.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.			trans	-80.8	107.5	177.3	-179.2	64.3	0	0	0	108.5	L99 I115 I117 I131 F142 Y145 Y221	L99-L152 HydrophobicContact CD1-CD2 3.68Å; I115-L152 HydrophobicContact CD1-CD2 3.98Å; I117-L152 HydrophobicContact CD1-CB 4.2Å; I117-L152 HydrophobicContact CD1-CD2 3.94Å; I117-L152 HydrophobicContact CD1-CG 3.82Å; I117-L152 WeakPolarHBondContact CD1-O 3.45Å; I131-L152 HydrophobicContact CD1-CD1 4.42Å; I131-L152 HydrophobicContact CD1-CG 4.25Å; F142-L152 HydrophobicContact CE1-CD1 4.42Å; F142-L152 HydrophobicContact CE1-CD2 4.35Å; F142-L152 HydrophobicContact CZ-CD1 4.17Å; Y145-L152 HydrophobicContact CD1-CB 3.9Å; Y145-L152 HydrophobicContact CD1-CD1 4.33Å; Y145-L152 HydrophobicContact CD2-CD1 4.46Å; Y145-L152 HydrophobicContact CE1-CB 4.09Å; Y145-L152 HydrophobicContact CE1-CD1 4.06Å; Y145-L152 HydrophobicContact CE2-CD1 4.23Å; L152-Y221 PolarHBondContact N-OH 2.87Å; L152-Y221 VanDerWaalsContact O-CE1 3.25Å; L152-Y221 WeakPolarHBondContact O-CE1 3.46Å
153	L	96.1	Very high	93.5	Very high	36 Å²	36	47.1 Å²	47.1	19%	0.188	24%	0.236	C	C	.	.			trans	-118.5	146.2	-179.2	-67.7	178.1	0	0	0	110.8	D119 I127 K151	D119-L153 HydrophobicContact CB-CD2 3.88Å; D119-L153 WeakPolarHBondContact OD2-CD2 3.42Å; I127-L153 HydrophobicContact CD1-CB 4.16Å; I127-L153 HydrophobicContact CD1-CD1 4.49Å; I127-L153 HydrophobicContact CD1-CD2 4.49Å; K151-L153 HydrophobicContact CD-CD2 4.27Å; K151-L153 HydrophobicContact CG-CD2 4.34Å; K151-L153 HydrophobicContact CG-CG 4.43Å; K151-L153 PolarHBondContact O-N 2.77Å
154	P	96.2	Very high	93.7	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.026	24%	0.241	C	C	.	.			trans	-65.3	143.2	174.6	28.2	-32.5	0	0	0	110.2	I127 I131 F161	I127-P154 HydrophobicContact CD1-CG 4.02Å; I127-P154 HydrophobicContact CG1-CG 4.19Å; I131-P154 HydrophobicContact CD1-CB 4.4Å; I131-P154 HydrophobicContact CG1-CB 4.37Å; P154-F161 HydrophobicContact CB-CD2 4.39Å
155	R	94.9	Very high	93.7	Very high	84 Å²	84	52 Å²	52	32%	0.317	25%	0.251	S	S	.	.			trans	-121.8	159.6	177.3	-57.3	-170.9	-157.8	154.1	4.8	110.4	R136 E140 Y145 G157 D158	R136-R155 VanDerWaalsContact NH2-CZ 3.25Å; E140-R155 IonicContact OE1-CZ 3.56Å; E140-R155 IonicContact OE1-NH1 3.96Å; E140-R155 IonicContact OE1-NH2 2.64Å; E140-R155 PolarHBondContact OE1-NH2 3.06Å; E140-R155 IonicContact OE2-CZ 2.83Å; E140-R155 VanDerWaalsContact OE2-CZ 3.22Å; E140-R155 IonicContact OE2-NH1 3.52Å; E140-R155 PolarHBondContact OE2-NH1 2.83Å; E140-R155 IonicContact OE2-NH2 3.08Å; E140-R155 PolarHBondContact OE2-NH2 2.84Å; Y145-R155 PolarHBondContact OH-NH2 3.08Å; R155-G157 PolarHBondContact O-N 2.88Å; R155-D158 PolarHBondContact N-OD2 2.87Å; R155-D158 WeakPolarHBondContact O-CB 3.28Å; R155-D158 PolarHBondContact O-N 2.96Å
156	P	93.8	Very high	93.7	Very high	71 Å²	71	55.7 Å²	55.7	46%	0.461	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-16.2	177	-28.4	36.3	0	0	0	115.9	F161 V170 N172	P156-F161 HydrophobicContact CG-CD1 4.1Å; P156-F161 HydrophobicContact CG-CD2 4.42Å; P156-F161 HydrophobicContact CG-CE1 4.15Å; P156-F161 HydrophobicContact CG-CE2 4.47Å; P156-F161 HydrophobicContact CG-CG 4.23Å; P156-F161 HydrophobicContact CG-CZ 4.34Å; P156-V170 HydrophobicContact CB-CG2 4.4Å; P156-V170 WeakPolarHBondContact O-CG1 3.33Å; P156-N172 PolarHBondContact O-ND2 2.95Å
157	G	93.5	Very high	93.7	Very high	57 Å²	57	61.6 Å²	61.6	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.1	175.9	0	0	0	0	0	115.1	R155	R155-G157 PolarHBondContact O-N 2.88Å
158	D	95.4	Very high	93.8	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.043	30%	0.3	C	S	.	.	S	Bend	trans	-79	-179.2	174.3	-68	-54.8	0	0	0	110.8	Y130 I131 R136 R155 S160 N172	Y130-D158 WeakPolarHBondContact O-CB 3.15Å; I131-D158 HydrophobicContact CG1-CB 4.19Å; R136-D158 IonicContact CZ-OD1 3.74Å; R136-D158 IonicContact CZ-OD2 2.82Å; R136-D158 IonicContact NE-OD1 3.26Å; R136-D158 PolarHBondContact NE-OD1 2.93Å; R136-D158 IonicContact NE-OD2 3.24Å; R136-D158 IonicContact NH2-OD1 2.78Å; R136-D158 IonicContact NH2-OD2 3.79Å; R136-D158 PolarHBondContact NH2-OD2 3.31Å; R155-D158 PolarHBondContact N-OD2 2.87Å; R155-D158 WeakPolarHBondContact O-CB 3.28Å; R155-D158 PolarHBondContact O-N 2.96Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 3.1Å; D158-N172 PolarHBondContact O-ND2 3.09Å
159	L	94.6	Very high	94	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	32%	0.316	C	S	.	.	S	Bend	trans	-61.8	-37.3	-174.1	-67.2	165.9	0	0	0	112.1	I114 Y130 D132 A171 N172 Y177 V179 L189	I114-L159 HydrophobicContact CD1-CD1 4.46Å; I114-L159 HydrophobicContact CG1-CD1 4.05Å; I114-L159 HydrophobicContact CG2-CD1 4.17Å; Y130-L159 WeakPolarHBondContact O-CA 3.44Å; Y130-L159 VanDerWaalsContact O-CB 3.29Å; Y130-L159 WeakPolarHBondContact O-CB 3.45Å; Y130-L159 PolarHBondContact O-N 2.94Å; D132-L159 HydrophobicContact CB-CD1 3.73Å; D132-L159 HydrophobicContact CB-CD2 4.38Å; D132-L159 HydrophobicContact CB-CG 3.94Å; L159-A171 WeakPolarHBondContact O-CA 3.34Å; L159-N172 WeakPolarHBondContact CA-O 3.35Å; L159-N172 PolarHBondContact O-N 3.44Å; L159-Y177 HydrophobicContact CD1-CD2 4.35Å; L159-V179 HydrophobicContact CD2-CG2 4.26Å; L159-L189 HydrophobicContact CB-CD1 4.48Å; L159-L189 HydrophobicContact CD1-CD1 3.72Å
160	S	94.3	Very high	94.1	Very high	15 Å²	15	56.2 Å²	56.2	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.9	164	78.8	0	0	0	0	111.4	G129 Y130 D158 V170	G129-S160 WeakPolarHBondContact CA-O 3.42Å; G129-S160 WeakPolarHBondContact CA-OG 3.34Å; Y130-S160 WeakPolarHBondContact CD2-OG 3.25Å; Y130-S160 PolarHBondContact N-O 3.24Å; Y130-S160 PolarHBondContact N-OG 3.1Å; Y130-S160 PolarHBondContact O-N 3.38Å; Y130-S160 VanDerWaalsContact O-N 3.16Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 3.1Å; S160-V170 CarbonylContact C-O 3.59Å; S160-V170 VanDerWaalsContact CA-O 3.22Å; S160-V170 WeakPolarHBondContact CA-O 3.14Å
161	F	96	Very high	94.2	Very high	20 Å²	20	53.8 Å²	53.8	9%	0.088	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.9	171.9	176.4	-93.1	0	0	0	108.5	I127 S128 P154 P156 N163 V169 V170	I127-F161 HydrophobicContact CB-CE2 4.12Å; I127-F161 HydrophobicContact CB-CZ 4.44Å; I127-F161 HydrophobicContact CD1-CE2 4.27Å; I127-F161 HydrophobicContact CG2-CE2 4.04Å; I127-F161 HydrophobicContact CG2-CZ 3.9Å; S128-F161 CarbonylContact O-C 3.58Å; P154-F161 HydrophobicContact CB-CD2 4.39Å; P156-F161 HydrophobicContact CG-CD1 4.1Å; P156-F161 HydrophobicContact CG-CD2 4.42Å; P156-F161 HydrophobicContact CG-CE1 4.15Å; P156-F161 HydrophobicContact CG-CE2 4.47Å; P156-F161 HydrophobicContact CG-CG 4.23Å; P156-F161 HydrophobicContact CG-CZ 4.34Å; F161-N163 HydrophobicContact CE1-CB 4.01Å; F161-N163 HydrophobicContact CZ-CB 4.25Å; F161-V169 CarbonylContact O-C 3.56Å; F161-V169 WeakPolarHBondContact O-CA 3.27Å; F161-V170 HydrophobicContact CB-CB 4.27Å; F161-V170 HydrophobicContact CD1-CG2 4.45Å; F161-V170 PolarHBondContact N-O 3.25Å; F161-V170 PolarHBondContact O-N 2.89Å
162	Y	95.4	Very high	94.3	Very high	59 Å²	59	52.5 Å²	52.5	23%	0.231	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.4	175.3	-173.3	-102.1	0	0	0	108.5	I127 S128 W164 H167 N168 V169	I127-Y162 CarbonylContact C-O 3.55Å; I127-Y162 VanDerWaalsContact CA-O 3.25Å; I127-Y162 WeakPolarHBondContact CA-O 3.44Å; S128-Y162 PolarHBondContact N-O 3.04Å; S128-Y162 PolarHBondContact O-N 2.82Å; Y162-W164 HydrophobicContact CD1-CB 4.48Å; Y162-W164 AromaticContact CD1-CD1 3.69Å; Y162-W164 AromaticContact CD1-CD2 3.77Å; Y162-W164 HydrophobicContact CD1-CD2 3.77Å; Y162-W164 AromaticContact CD1-CE2 3.71Å; Y162-W164 HydrophobicContact CD1-CE3 4.43Å; Y162-W164 AromaticContact CD1-CG 3.76Å; Y162-W164 HydrophobicContact CD1-CG 3.76Å; Y162-W164 HydrophobicContact CD1-CZ2 4.33Å; Y162-W164 AromaticContact CD1-NE1 3.65Å; Y162-W164 HydrophobicContact CE1-CB 4.18Å; Y162-W164 AromaticContact CE1-CD2 3.56Å; Y162-W164 HydrophobicContact CE1-CD2 3.56Å; Y162-W164 AromaticContact CE1-CE2 3.94Å; Y162-W164 AromaticContact CE1-CE3 3.82Å; Y162-W164 HydrophobicContact CE1-CE3 3.82Å; Y162-W164 AromaticContact CE1-CG 3.73Å; Y162-W164 HydrophobicContact CE1-CG 3.73Å; Y162-W164 HydrophobicContact CE1-CZ3 4.39Å; Y162-H167 PolarHBondContact OH-ND1 3.11Å; Y162-N168 WeakPolarHBondContact CA-O 3.25Å; Y162-V169 HydrophobicContact CD2-CB 4.14Å; Y162-V169 HydrophobicContact CD2-CG1 4.13Å; Y162-V169 HydrophobicContact CD2-CG2 3.39Å; Y162-V169 HydrophobicContact CE2-CG2 3.45Å; Y162-V169 VanDerWaalsContact CE2-CG2 3.45Å
163	N	95.8	Very high	94.2	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.053	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.4	168.9	-177.1	-34.8	0	0	0	108.4	Q125 I127 F161 E165 T166 H167 N168	Q125-N163 PolarHBondContact OE1-ND2 3.31Å; I127-N163 HydrophobicContact CG2-CB 4.26Å; F161-N163 HydrophobicContact CE1-CB 4.01Å; F161-N163 HydrophobicContact CZ-CB 4.25Å; N163-E165 VanDerWaalsContact C-N 3.29Å; N163-E165 PolarHBondContact O-N 3.16Å; N163-E165 PolarHBondContact OD1-N 2.9Å; N163-T166 VanDerWaalsContact CB-OG1 3.31Å; N163-T166 WeakPolarHBondContact CB-OG1 3.46Å; N163-T166 PolarHBondContact ND2-OG1 3.2Å; N163-T166 PolarHBondContact OD1-N 2.55Å; N163-H167 WeakPolarHBondContact O-CA 3.33Å; N163-H167 PolarHBondContact O-N 2.99Å; N163-N168 HydrophobicContact CB-CB 4.49Å; N163-N168 PolarHBondContact N-O 2.77Å
164	W	94.4	Very high	94.1	Very high	102 Å²	102	54.3 Å²	54.3	39%	0.386	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.6	-173.7	-69.3	80.6	0	0	0	113.3	E126 S128 Y162 H167	E126-W164 HydrophobicContact CB-CB 4.06Å; E126-W164 HydrophobicContact CB-CG 4.3Å; E126-W164 HydrophobicContact CG-CB 4.41Å; E126-W164 HydrophobicContact CG-CG 4.13Å; E126-W164 WeakPolarHBondContact O-CB 3.1Å; E126-W164 PolarHBondContact O-N 2.55Å; S128-W164 PolarHBondContact OG-NE1 2.78Å; Y162-W164 HydrophobicContact CD1-CB 4.48Å; Y162-W164 AromaticContact CD1-CD1 3.69Å; Y162-W164 AromaticContact CD1-CD2 3.77Å; Y162-W164 HydrophobicContact CD1-CD2 3.77Å; Y162-W164 AromaticContact CD1-CE2 3.71Å; Y162-W164 HydrophobicContact CD1-CE3 4.43Å; Y162-W164 AromaticContact CD1-CG 3.76Å; Y162-W164 HydrophobicContact CD1-CG 3.76Å; Y162-W164 HydrophobicContact CD1-CZ2 4.33Å; Y162-W164 AromaticContact CD1-NE1 3.65Å; Y162-W164 HydrophobicContact CE1-CB 4.18Å; Y162-W164 AromaticContact CE1-CD2 3.56Å; Y162-W164 HydrophobicContact CE1-CD2 3.56Å; Y162-W164 AromaticContact CE1-CE2 3.94Å; Y162-W164 AromaticContact CE1-CE3 3.82Å; Y162-W164 HydrophobicContact CE1-CE3 3.82Å; Y162-W164 AromaticContact CE1-CG 3.73Å; Y162-W164 HydrophobicContact CE1-CG 3.73Å; Y162-W164 HydrophobicContact CE1-CZ3 4.39Å; W164-H167 PolarHBondContact O-CE1 2.79Å
165	E	92.5	Very high	93.9	Very high	108 Å²	108	58.1 Å²	58.1	51%	0.505	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-42	176.9	-66	-174.4	-178.7	0	0	112.5	Q125 N163	Q125-E165 VanDerWaalsContact CA-OE1 3.29Å; Q125-E165 WeakPolarHBondContact CA-OE1 3.43Å; Q125-E165 VanDerWaalsContact CB-CD 3.5Å; Q125-E165 HydrophobicContact CB-CG 4.11Å; Q125-E165 WeakPolarHBondContact CB-OE2 3.39Å; Q125-E165 WeakPolarHBondContact CG-OE2 3.2Å; Q125-E165 PolarHBondContact NE2-OE2 3.33Å; N163-E165 VanDerWaalsContact C-N 3.29Å; N163-E165 PolarHBondContact O-N 3.16Å; N163-E165 PolarHBondContact OD1-N 2.9Å
166	T	93.1	Very high	93.8	Very high	78 Å²	78	56 Å²	56	48%	0.479	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-7	-176.5	65.5	0	0	0	0	113.3	N163 N168	N163-T166 VanDerWaalsContact CB-OG1 3.31Å; N163-T166 WeakPolarHBondContact CB-OG1 3.46Å; N163-T166 PolarHBondContact ND2-OG1 3.2Å; N163-T166 PolarHBondContact OD1-N 2.55Å; T166-N168 PolarHBondContact O-N 2.94Å; T166-N168 VanDerWaalsContact O-N 3.08Å; T166-N168 WeakPolarHBondContact OG1-CB 3.29Å; T166-N168 PolarHBondContact OG1-N 2.9Å
167	H	92.4	Very high	93.9	Very high	125 Å²	125	52.6 Å²	52.6	58%	0.579	30%	0.3	S	S	*	.			trans	53.9	21.5	-171.7	-55.6	-62.6	0	0	0	114.1	Y162 N163 W164 V169	Y162-H167 PolarHBondContact OH-ND1 3.11Å; N163-H167 WeakPolarHBondContact O-CA 3.33Å; N163-H167 PolarHBondContact O-N 2.99Å; W164-H167 PolarHBondContact O-CE1 2.79Å; H167-V169 WeakPolarHBondContact O-CG2 3.34Å; H167-V169 PolarHBondContact O-N 2.77Å
168	N	92.7	Very high	94	Very high	86 Å²	86	52.4 Å²	52.4	46%	0.46	29%	0.288	S	S	.	.			trans	-74.3	123.5	177.1	-173.1	-4.7	0	0	0	109.7	Y162 N163 T166	Y162-N168 WeakPolarHBondContact CA-O 3.25Å; N163-N168 HydrophobicContact CB-CB 4.49Å; N163-N168 PolarHBondContact N-O 2.77Å; T166-N168 PolarHBondContact O-N 2.94Å; T166-N168 VanDerWaalsContact O-N 3.08Å; T166-N168 WeakPolarHBondContact OG1-CB 3.29Å; T166-N168 PolarHBondContact OG1-N 2.9Å
169	V	91.9	Very high	93.8	Very high	98 Å²	98	53 Å²	53	59%	0.594	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.9	-178.4	-162	0	0	0	0	109.4	F161 Y162 H167	F161-V169 CarbonylContact O-C 3.56Å; F161-V169 WeakPolarHBondContact O-CA 3.27Å; Y162-V169 HydrophobicContact CD2-CB 4.14Å; Y162-V169 HydrophobicContact CD2-CG1 4.13Å; Y162-V169 HydrophobicContact CD2-CG2 3.39Å; Y162-V169 HydrophobicContact CE2-CG2 3.45Å; Y162-V169 VanDerWaalsContact CE2-CG2 3.45Å; H167-V169 WeakPolarHBondContact O-CG2 3.34Å; H167-V169 PolarHBondContact O-N 2.77Å
170	V	93.8	Very high	93.6	Very high	38 Å²	38	55.2 Å²	55.2	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140	172.5	-168.9	0	0	0	0	109	P156 S160 F161 N172	P156-V170 HydrophobicContact CB-CG2 4.4Å; P156-V170 WeakPolarHBondContact O-CG1 3.33Å; S160-V170 CarbonylContact C-O 3.59Å; S160-V170 VanDerWaalsContact CA-O 3.22Å; S160-V170 WeakPolarHBondContact CA-O 3.14Å; F161-V170 HydrophobicContact CB-CB 4.27Å; F161-V170 HydrophobicContact CD1-CG2 4.45Å; F161-V170 PolarHBondContact N-O 3.25Å; F161-V170 PolarHBondContact O-N 2.89Å; V170-N172 WeakPolarHBondContact CG1-ND2 3.16Å
171	A	93.3	Very high	93.1	Very high	45 Å²	45	59 Å²	59	37%	0.372	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	116.8	175.9	0	0	0	0	0	108.4	L159 V179 T181	L159-A171 WeakPolarHBondContact O-CA 3.34Å; A171-V179 HydrophobicContact CB-CG1 4.02Å; A171-T181 HydrophobicContact CB-CG2 3.89Å
172	N	94.3	Very high	92.2	Very high	56 Å²	56	66.9 Å²	66.9	30%	0.299	36%	0.362	S	S	.	.			trans	-125.1	138.3	-178	-50.2	-73.5	0	0	0	111.4	P156 D158 L159 V170 V179	P156-N172 PolarHBondContact O-ND2 2.95Å; D158-N172 PolarHBondContact O-ND2 3.09Å; L159-N172 WeakPolarHBondContact CA-O 3.35Å; L159-N172 PolarHBondContact O-N 3.44Å; V170-N172 WeakPolarHBondContact CG1-ND2 3.16Å; N172-V179 VanDerWaalsContact C-CG2 3.44Å; N172-V179 WeakPolarHBondContact O-CG2 3.45Å
173	S	93.7	Very high	91.4	Very high	65 Å²	65	65.9 Å²	65.9	46%	0.455	36%	0.361	S	S	.	.			trans	-74.8	137.7	168.9	-64.9	0	0	0	0	110.6	Y177 T178 V179	S173-Y177 CarbonylContact C-O 3.56Å; S173-Y177 WeakPolarHBondContact CA-O 3.34Å; S173-Y177 WeakPolarHBondContact CB-O 3.2Å; S173-T178 WeakPolarHBondContact OG-CA 3.46Å; S173-V179 PolarHBondContact OG-N 2.85Å; S173-V179 VanDerWaalsContact OG-N 3.14Å
174	S	93.9	Very high	90.3	Very high	9 Å²	9	71.4 Å²	71.4	6%	0.063	40%	0.397	C	S	.	.			trans	-95.7	176	172.2	79.3	0	0	0	0	110.8	D132 N176 Y177 K192	D132-S174 VanDerWaalsContact OD2-CB 3.28Å; D132-S174 WeakPolarHBondContact OD2-CB 3.18Å; D132-S174 PolarHBondContact OD2-OG 2.93Å; S174-N176 PolarHBondContact O-N 3.19Å; S174-N176 PolarHBondContact OG-N 3.35Å; S174-N176 VanDerWaalsContact OG-N 3.1Å; S174-Y177 PolarHBondContact N-O 3.28Å; S174-Y177 PolarHBondContact OG-N 2.83Å; S174-K192 WeakPolarHBondContact O-CE 3.47Å; S174-K192 PolarHBondContact O-NZ 2.64Å
175	P	92.7	Very high	89.2	Confident	85 Å²	85	72 Å²	72	55%	0.552	41%	0.408	S	S	*	.	S	Bend	trans	-59.4	-24.7	169.3	-26.6	37.2	0	0	0	114.2	H135 K192	H135-P175 VanDerWaalsContact CD2-CD 3.45Å; H135-P175 WeakPolarHBondContact CD2-CD 3.22Å; P175-K192 WeakPolarHBondContact O-CD 3.49Å
176	N	93.1	Very high	88.5	Confident	38 Å²	38	68.6 Å²	68.6	20%	0.203	40%	0.402	C	S	.	.	S	Bend	trans	-100.3	-25.2	-177.5	-50.4	-49.9	0	0	0	113.4	D132 S174 K192	D132-N176 PolarHBondContact OD1-ND2 2.72Å; D132-N176 VanDerWaalsContact OD1-ND2 3.09Å; D132-N176 WeakPolarHBondContact OD2-CB 3.21Å; D132-N176 PolarHBondContact OD2-ND2 3.01Å; S174-N176 PolarHBondContact O-N 3.19Å; S174-N176 PolarHBondContact OG-N 3.35Å; S174-N176 VanDerWaalsContact OG-N 3.1Å; N176-K192 WeakPolarHBondContact O-CB 3.36Å; N176-K192 PolarHBondContact O-N 2.75Å
177	Y	95.1	Very high	88.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.9	-174.2	-70.3	-78.3	0	0	0	112.7	S112 I114 L159 S173 S174 L189 K190 N191 L198	S112-Y177 VanDerWaalsContact CB-OH 3.31Å; S112-Y177 WeakPolarHBondContact CB-OH 3.4Å; S112-Y177 WeakPolarHBondContact OG-CE2 3.37Å; S112-Y177 PolarHBondContact OG-OH 3.05Å; I114-Y177 HydrophobicContact CD1-CD1 4.2Å; I114-Y177 HydrophobicContact CD1-CD2 4.09Å; I114-Y177 HydrophobicContact CD1-CE1 3.79Å; I114-Y177 HydrophobicContact CD1-CE2 3.64Å; I114-Y177 HydrophobicContact CD1-CG 4.35Å; I114-Y177 VanDerWaalsContact CD1-CZ 3.46Å; I114-Y177 HydrophobicContact CG1-CD2 4.2Å; I114-Y177 HydrophobicContact CG1-CE2 3.67Å; L159-Y177 HydrophobicContact CD1-CD2 4.35Å; S173-Y177 CarbonylContact C-O 3.56Å; S173-Y177 WeakPolarHBondContact CA-O 3.34Å; S173-Y177 WeakPolarHBondContact CB-O 3.2Å; S174-Y177 PolarHBondContact N-O 3.28Å; S174-Y177 PolarHBondContact OG-N 2.83Å; Y177-L189 HydrophobicContact CD1-CB 3.99Å; Y177-L189 HydrophobicContact CG-CB 4.48Å; Y177-K190 CarbonylContact C-O 3.59Å; Y177-K190 WeakPolarHBondContact CA-O 3.36Å; Y177-N191 HydrophobicContact CD1-CB 4.1Å; Y177-N191 HydrophobicContact CE1-CB 3.64Å; Y177-N191 WeakPolarHBondContact CE1-ND2 3.41Å; Y177-N191 PolarHBondContact OH-ND2 2.76Å; Y177-L198 HydrophobicContact CD1-CD1 4.24Å; Y177-L198 HydrophobicContact CE1-CD1 3.34Å
178	T	94.7	Very high	88.1	Confident	54 Å²	54	62.1 Å²	62.1	33%	0.331	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.9	164	-58.3	0	0	0	0	108.6	S173 K190 K192	S173-T178 WeakPolarHBondContact OG-CA 3.46Å; T178-K190 PolarHBondContact N-O 3.36Å; T178-K190 PolarHBondContact O-N 2.82Å; T178-K192 WeakPolarHBondContact OG1-CE 3.15Å
179	V	92.7	Very high	88.1	Confident	19 Å²	19	58 Å²	58	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.2	175.5	-173.7	0	0	0	0	109.6	L159 A171 N172 S173 T181 L187 L189	L159-V179 HydrophobicContact CD2-CG2 4.26Å; A171-V179 HydrophobicContact CB-CG1 4.02Å; N172-V179 VanDerWaalsContact C-CG2 3.44Å; N172-V179 WeakPolarHBondContact O-CG2 3.45Å; S173-V179 PolarHBondContact OG-N 2.85Å; S173-V179 VanDerWaalsContact OG-N 3.14Å; V179-T181 HydrophobicContact CG1-CG2 4.06Å; V179-L187 HydrophobicContact CG1-CD1 3.38Å; V179-L187 HydrophobicContact CG1-CD2 4.4Å; V179-L187 HydrophobicContact CG1-CG 4.07Å; V179-L189 HydrophobicContact CB-CD2 3.97Å; V179-L189 HydrophobicContact CG1-CD2 3.95Å; V179-L189 HydrophobicContact CG2-CD2 3.54Å
180	I	90.6	Very high	88.2	Confident	49 Å²	49	57 Å²	57	25%	0.251	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.1	175.4	-58.5	169.9	0	0	0	107.1	L188 K190 I197	I180-L188 HydrophobicContact CB-CB 4.13Å; I180-L188 PolarHBondContact N-O 3Å; I180-L188 PolarHBondContact O-N 3.38Å; I180-K190 HydrophobicContact CD1-CB 3.91Å; I180-K190 HydrophobicContact CD1-CD 4.48Å; I180-I197 HydrophobicContact CD1-CD1 4.45Å
181	T	82.1	Confident	88.1	Confident	95 Å²	95	55.4 Å²	55.4	58%	0.583	32%	0.324	S	S	*	.			trans	-94.8	-13.1	-178.8	51.5	0	0	0	0	113.3	A171 V179 N183 L187	A171-T181 HydrophobicContact CB-CG2 3.89Å; V179-T181 HydrophobicContact CG1-CG2 4.06Å; T181-N183 PolarHBondContact O-N 3.08Å; T181-L187 HydrophobicContact CG2-CD1 4.19Å
182	E	77.9	Confident	88.1	Confident	186 Å²	186	58 Å²	58	87%	0.869	33%	0.327	S	S	*	.			trans	-82.5	44.9	-177.5	-61.1	176.9	-177.3	0	0	112.5
183	N	78.1	Confident	87.8	Confident	37 Å²	37	61.9 Å²	61.9	20%	0.198	34%	0.337	C	S	.	.			trans	-128.9	121.6	176.9	177.1	32.6	0	0	0	110.7	T181 N185 G186 L188	T181-N183 PolarHBondContact O-N 3.08Å; N183-N185 PolarHBondContact O-N 3.49Å; N183-N185 PolarHBondContact OD1-N 3.48Å; N183-G186 WeakPolarHBondContact CB-O 3.14Å; N183-G186 PolarHBondContact ND2-O 3.19Å; N183-G186 PolarHBondContact O-N 2.97Å; N183-L188 HydrophobicContact CB-CD1 3.8Å; N183-L188 HydrophobicContact CB-CG 4.07Å; N183-L188 WeakPolarHBondContact ND2-CD1 3.49Å; N183-L188 VanDerWaalsContact ND2-CG 3.29Å; N183-L188 WeakPolarHBondContact ND2-CG 3.35Å
184	P	73.4	Confident	87.7	Confident	126 Å²	126	61 Å²	61	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.3	179.4	24.8	-35.1	0	0	0	113.1	G186	P184-G186 PolarHBondContact O-N 3.35Å
185	N	71.7	Confident	87.5	Confident	116 Å²	116	69.9 Å²	69.9	62%	0.62	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	8.3	-178.2	-61.7	-12.6	0	0	0	113.3	N183	N183-N185 PolarHBondContact O-N 3.49Å; N183-N185 PolarHBondContact OD1-N 3.48Å
186	G	77.6	Confident	87.5	Confident	36 Å²	36	68.4 Å²	68.4	37%	0.371	35%	0.345	S	S	.	.			trans	106.8	-171.6	177.7	0	0	0	0	0	113.9	N183 P184 L188	N183-G186 WeakPolarHBondContact CB-O 3.14Å; N183-G186 PolarHBondContact ND2-O 3.19Å; N183-G186 PolarHBondContact O-N 2.97Å; P184-G186 PolarHBondContact O-N 3.35Å; G186-L188 PolarHBondContact O-N 2.9Å
187	L	85.5	Confident	87.4	Confident	38 Å²	38	70.7 Å²	70.7	20%	0.199	36%	0.356	C	S	.	.			trans	-66.4	128.6	-170.6	-162.4	71.4	0	0	0	111.8	Y130 V179 T181 L189	Y130-L187 HydrophobicContact CD2-CD2 3.5Å; Y130-L187 HydrophobicContact CE2-CD2 3.86Å; Y130-L187 HydrophobicContact CG-CD2 4.5Å; V179-L187 HydrophobicContact CG1-CD1 3.38Å; V179-L187 HydrophobicContact CG1-CD2 4.4Å; V179-L187 HydrophobicContact CG1-CG 4.07Å; T181-L187 HydrophobicContact CG2-CD1 4.19Å; L187-L189 HydrophobicContact CD2-CD2 4.28Å; L187-L189 HydrophobicContact CG-CD2 4.44Å
188	L	91.6	Very high	87.3	Confident	28 Å²	28	70.7 Å²	70.7	15%	0.147	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142	170	-63.6	178.1	0	0	0	109.8	I180 N183 G186 I197 N199	I180-L188 HydrophobicContact CB-CB 4.13Å; I180-L188 PolarHBondContact N-O 3Å; I180-L188 PolarHBondContact O-N 3.38Å; N183-L188 HydrophobicContact CB-CD1 3.8Å; N183-L188 HydrophobicContact CB-CG 4.07Å; N183-L188 WeakPolarHBondContact ND2-CD1 3.49Å; N183-L188 VanDerWaalsContact ND2-CG 3.29Å; N183-L188 WeakPolarHBondContact ND2-CG 3.35Å; G186-L188 PolarHBondContact O-N 2.9Å; L188-I197 HydrophobicContact CB-CG2 3.93Å; L188-I197 HydrophobicContact CD1-CG2 4.11Å; L188-I197 HydrophobicContact CD2-CG2 4.15Å; L188-I197 HydrophobicContact CG-CG2 4.29Å; L188-N199 HydrophobicContact CD2-CB 4.03Å
189	L	92.6	Very high	87	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124	174.6	-57.7	177.6	0	0	0	109.6	I114 L159 Y177 V179 L187 L198 F200	I114-L189 HydrophobicContact CD1-CD1 3.59Å; I114-L189 HydrophobicContact CG1-CD1 4.42Å; I114-L189 HydrophobicContact CG2-CD1 4.29Å; L159-L189 HydrophobicContact CB-CD1 4.48Å; L159-L189 HydrophobicContact CD1-CD1 3.72Å; Y177-L189 HydrophobicContact CD1-CB 3.99Å; Y177-L189 HydrophobicContact CG-CB 4.48Å; V179-L189 HydrophobicContact CB-CD2 3.97Å; V179-L189 HydrophobicContact CG1-CD2 3.95Å; V179-L189 HydrophobicContact CG2-CD2 3.54Å; L187-L189 HydrophobicContact CD2-CD2 4.28Å; L187-L189 HydrophobicContact CG-CD2 4.44Å; L189-L198 PolarHBondContact N-O 2.87Å; L189-L198 VanDerWaalsContact N-O 3.16Å; L189-L198 PolarHBondContact O-N 2.94Å; L189-F200 HydrophobicContact CB-CE2 3.51Å; L189-F200 HydrophobicContact CB-CZ 3.99Å; L189-F200 HydrophobicContact CD1-CD2 4.2Å; L189-F200 HydrophobicContact CD1-CE1 4.35Å; L189-F200 HydrophobicContact CD1-CE2 3.41Å; L189-F200 VanDerWaalsContact CD1-CE2 3.41Å; L189-F200 HydrophobicContact CD1-CZ 3.51Å; L189-F200 HydrophobicContact CG-CD2 4.05Å; L189-F200 HydrophobicContact CG-CE2 3.31Å; L189-F200 HydrophobicContact CG-CZ 3.91Å
190	K	93.3	Very high	86.8	Confident	78 Å²	78	69.5 Å²	69.5	34%	0.339	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.5	175.3	-174.7	177.2	-176.4	174.9	0	109.6	Y177 T178 I180 K192 R195 K196 I197	Y177-K190 CarbonylContact C-O 3.59Å; Y177-K190 WeakPolarHBondContact CA-O 3.36Å; T178-K190 PolarHBondContact N-O 3.36Å; T178-K190 PolarHBondContact O-N 2.82Å; I180-K190 HydrophobicContact CD1-CB 3.91Å; I180-K190 HydrophobicContact CD1-CD 4.48Å; K190-K192 PolarHBondContact O-N 2.75Å; K190-R195 WeakPolarHBondContact CE-O 3.35Å; K190-K196 CarbonylContact C-O 3.52Å; K190-K196 WeakPolarHBondContact CA-O 3.34Å; K190-I197 HydrophobicContact CB-CG1 4.35Å; K190-I197 HydrophobicContact CG-CG1 4.27Å
191	N	92.9	Very high	86.6	Confident	3 Å²	3	69 Å²	69	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.9	173.2	-172.5	-77.7	0	0	0	109.3	Y177 R193 D194 R195 K196	Y177-N191 HydrophobicContact CD1-CB 4.1Å; Y177-N191 HydrophobicContact CE1-CB 3.64Å; Y177-N191 WeakPolarHBondContact CE1-ND2 3.41Å; Y177-N191 PolarHBondContact OH-ND2 2.76Å; N191-R193 VanDerWaalsContact C-N 3.27Å; N191-R193 PolarHBondContact O-N 2.63Å; N191-R193 WeakPolarHBondContact OD1-CA 3.4Å; N191-R193 WeakPolarHBondContact OD1-CB 3.03Å; N191-R193 PolarHBondContact OD1-N 3.33Å; N191-D194 WeakPolarHBondContact CB-OD1 3.22Å; N191-D194 PolarHBondContact OD1-N 2.91Å; N191-D194 PolarHBondContact OD1-OD1 2.74Å; N191-R195 WeakPolarHBondContact O-CA 3.43Å; N191-R195 PolarHBondContact O-N 2.95Å; N191-K196 PolarHBondContact N-O 3.33Å
192	K	92.4	Very high	86.7	Confident	101 Å²	101	69.1 Å²	69.1	44%	0.439	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.9	-176	-71.7	-179.6	172.3	175.7	0	113.1	S174 P175 N176 T178 K190	S174-K192 WeakPolarHBondContact O-CE 3.47Å; S174-K192 PolarHBondContact O-NZ 2.64Å; P175-K192 WeakPolarHBondContact O-CD 3.49Å; N176-K192 WeakPolarHBondContact O-CB 3.36Å; N176-K192 PolarHBondContact O-N 2.75Å; T178-K192 WeakPolarHBondContact OG1-CE 3.15Å; K190-K192 PolarHBondContact O-N 2.75Å
193	R	88.8	Confident	87.1	Confident	137 Å²	137	65.9 Å²	65.9	52%	0.517	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-51.1	-175.9	-172.8	-178.9	-177.5	168.4	18.5	112.7	G109 N191 T231	G109-R193 PolarHBondContact O-NH1 3.45Å; N191-R193 VanDerWaalsContact C-N 3.27Å; N191-R193 PolarHBondContact O-N 2.63Å; N191-R193 WeakPolarHBondContact OD1-CA 3.4Å; N191-R193 WeakPolarHBondContact OD1-CB 3.03Å; N191-R193 PolarHBondContact OD1-N 3.33Å; R193-T231 PolarHBondContact NH1-OG1 3.32Å
194	D	90.3	Very high	87.6	Confident	47 Å²	47	65.1 Å²	65.1	25%	0.251	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-0.8	-177.3	73.7	-5.4	0	0	0	113.5	N191 K196 H229	N191-D194 WeakPolarHBondContact CB-OD1 3.22Å; N191-D194 PolarHBondContact OD1-N 2.91Å; N191-D194 PolarHBondContact OD1-OD1 2.74Å; D194-K196 HydrophobicContact CB-CG 4.45Å; D194-K196 PolarHBondContact O-N 2.91Å; D194-K196 WeakPolarHBondContact OD1-CB 3.44Å; D194-K196 PolarHBondContact OD1-N 2.84Å; D194-K196 WeakPolarHBondContact OD2-CD 3.48Å; D194-K196 WeakPolarHBondContact OD2-CG 3.36Å; D194-H229 IonicContact OD1-NE2 2.83Å; D194-H229 IonicContact OD2-CE1 2.8Å; D194-H229 IonicContact OD2-NE2 2.63Å; D194-H229 PolarHBondContact OD2-NE2 3.04Å; D194-H229 VanDerWaalsContact OD2-NE2 3.08Å
195	R	90.3	Very high	88.2	Confident	194 Å²	194	64.3 Å²	64.3	73%	0.732	34%	0.343	S	S	*	.			trans	63.6	11.4	179.8	-51.6	-179.1	-169	176.7	3.5	114	K190 N191	K190-R195 WeakPolarHBondContact CE-O 3.35Å; N191-R195 WeakPolarHBondContact O-CA 3.43Å; N191-R195 PolarHBondContact O-N 2.95Å
196	K	92	Very high	89	Confident	54 Å²	54	61.8 Å²	61.8	24%	0.235	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-72.7	145.1	176.8	-68.1	-170	178.8	-165.2	0	111.2	K190 N191 D194 D209 N210	K190-K196 CarbonylContact C-O 3.52Å; K190-K196 WeakPolarHBondContact CA-O 3.34Å; N191-K196 PolarHBondContact N-O 3.33Å; D194-K196 HydrophobicContact CB-CG 4.45Å; D194-K196 PolarHBondContact O-N 2.91Å; D194-K196 WeakPolarHBondContact OD1-CB 3.44Å; D194-K196 PolarHBondContact OD1-N 2.84Å; D194-K196 WeakPolarHBondContact OD2-CD 3.48Å; D194-K196 WeakPolarHBondContact OD2-CG 3.36Å; K196-D209 HydrophobicContact CD-CB 4.1Å; K196-N210 PolarHBondContact NZ-ND2 3.18Å
197	I	91.8	Very high	89.7	Confident	86 Å²	86	60.3 Å²	60.3	44%	0.441	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131	178.8	-60	175.6	0	0	0	108.3	I180 L188 K190	I180-I197 HydrophobicContact CD1-CD1 4.45Å; L188-I197 HydrophobicContact CB-CG2 3.93Å; L188-I197 HydrophobicContact CD1-CG2 4.11Å; L188-I197 HydrophobicContact CD2-CG2 4.15Å; L188-I197 HydrophobicContact CG-CG2 4.29Å; K190-I197 HydrophobicContact CB-CG1 4.35Å; K190-I197 HydrophobicContact CG-CG1 4.27Å
198	L	92	Very high	89.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	171.4	-70.9	126.7	0	0	0	109.9	I114 Y177 L189 F200 P207 S211 H229	I114-L198 HydrophobicContact CD1-CD1 4.27Å; Y177-L198 HydrophobicContact CD1-CD1 4.24Å; Y177-L198 HydrophobicContact CE1-CD1 3.34Å; L189-L198 PolarHBondContact N-O 2.87Å; L189-L198 VanDerWaalsContact N-O 3.16Å; L189-L198 PolarHBondContact O-N 2.94Å; L198-F200 HydrophobicContact CB-CE1 4.35Å; L198-F200 HydrophobicContact CB-CE2 3.58Å; L198-F200 HydrophobicContact CB-CZ 3.4Å; L198-F200 HydrophobicContact CD1-CZ 4.5Å; L198-F200 HydrophobicContact CD2-CZ 4.45Å; L198-F200 HydrophobicContact CG-CZ 4.33Å; L198-F200 WeakPolarHBondContact O-CE2 3.33Å; L198-P207 CarbonylContact C-O 3.59Å; L198-P207 VanDerWaalsContact CA-O 3.31Å; L198-P207 WeakPolarHBondContact CA-O 3.34Å; L198-S211 WeakPolarHBondContact CD2-OG 3.4Å; L198-H229 HydrophobicContact CD1-CB 4.34Å; L198-H229 HydrophobicContact CD2-CB 4.14Å
199	N	89.9	Confident	89.7	Confident	43 Å²	43	63.9 Å²	63.9	23%	0.23	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.6	173.1	-173.2	3.9	0	0	0	109.9	L188 D201 P207	L188-N199 HydrophobicContact CD2-CB 4.03Å; N199-D201 VanDerWaalsContact OD1-CB 3.27Å; N199-D201 WeakPolarHBondContact OD1-CB 3.31Å; N199-D201 PolarHBondContact OD1-N 2.96Å; N199-P207 PolarHBondContact N-O 3.29Å; N199-P207 WeakPolarHBondContact O-CA 3.19Å; N199-P207 VanDerWaalsContact O-CB 3.3Å; N199-P207 WeakPolarHBondContact O-CB 3.38Å
200	F	88	Confident	89.6	Confident	5 Å²	5	67 Å²	67	2%	0.022	36%	0.359	C	S	.	.			trans	-101.5	10.8	180	-58.1	-82.8	0	0	0	113.1	I114 Y130 L189 L198 P202 Y227	I114-F200 HydrophobicContact CB-CE1 4.33Å; I114-F200 HydrophobicContact CD1-CE1 3.96Å; I114-F200 HydrophobicContact CD1-CZ 3.52Å; I114-F200 HydrophobicContact CG2-CE1 4.1Å; Y130-F200 HydrophobicContact CD1-CD1 4.12Å; Y130-F200 HydrophobicContact CD1-CG 4.44Å; Y130-F200 HydrophobicContact CE1-CB 3.87Å; Y130-F200 AromaticContact CE1-CD1 3.72Å; Y130-F200 HydrophobicContact CE1-CD1 3.72Å; Y130-F200 AromaticContact CE1-CG 3.87Å; Y130-F200 HydrophobicContact CE1-CG 3.87Å; Y130-F200 HydrophobicContact CE2-CB 4.47Å; Y130-F200 WeakPolarHBondContact OH-CB 3.41Å; L189-F200 HydrophobicContact CB-CE2 3.51Å; L189-F200 HydrophobicContact CB-CZ 3.99Å; L189-F200 HydrophobicContact CD1-CD2 4.2Å; L189-F200 HydrophobicContact CD1-CE1 4.35Å; L189-F200 HydrophobicContact CD1-CE2 3.41Å; L189-F200 VanDerWaalsContact CD1-CE2 3.41Å; L189-F200 HydrophobicContact CD1-CZ 3.51Å; L189-F200 HydrophobicContact CG-CD2 4.05Å; L189-F200 HydrophobicContact CG-CE2 3.31Å; L189-F200 HydrophobicContact CG-CZ 3.91Å; L198-F200 HydrophobicContact CB-CE1 4.35Å; L198-F200 HydrophobicContact CB-CE2 3.58Å; L198-F200 HydrophobicContact CB-CZ 3.4Å; L198-F200 HydrophobicContact CD1-CZ 4.5Å; L198-F200 HydrophobicContact CD2-CZ 4.45Å; L198-F200 HydrophobicContact CG-CZ 4.33Å; L198-F200 WeakPolarHBondContact O-CE2 3.33Å; F200-P202 WeakPolarHBondContact O-CD 3.45Å; F200-Y227 AromaticContact CD1-CD1 3.64Å; F200-Y227 HydrophobicContact CD1-CD1 3.64Å; F200-Y227 AromaticContact CD1-CD2 3.66Å; F200-Y227 HydrophobicContact CD1-CD2 3.66Å; F200-Y227 AromaticContact CD1-CE1 3.63Å; F200-Y227 HydrophobicContact CD1-CE1 3.63Å; F200-Y227 AromaticContact CD1-CE2 3.67Å; F200-Y227 HydrophobicContact CD1-CE2 3.67Å; F200-Y227 AromaticContact CD1-CG 3.65Å; F200-Y227 HydrophobicContact CD1-CG 3.65Å; F200-Y227 AromaticContact CD1-CZ 3.65Å; F200-Y227 AromaticContact CE1-CD1 3.77Å; F200-Y227 HydrophobicContact CE1-CD1 3.77Å; F200-Y227 AromaticContact CE1-CD2 3.81Å; F200-Y227 HydrophobicContact CE1-CD2 3.81Å; F200-Y227 HydrophobicContact CE1-CE1 4.25Å; F200-Y227 HydrophobicContact CE1-CE2 4.3Å; F200-Y227 AromaticContact CE1-CG 3.52Å; F200-Y227 HydrophobicContact CE1-CG 3.52Å
201	D	85.7	Confident	89.6	Confident	40 Å²	40	64 Å²	64	21%	0.214	35%	0.349	C	S	.	.			trans	-59	118.5	172.5	-179.5	-3.6	0	0	0	110.3	N199 T203 A204 R213	N199-D201 VanDerWaalsContact OD1-CB 3.27Å; N199-D201 WeakPolarHBondContact OD1-CB 3.31Å; N199-D201 PolarHBondContact OD1-N 2.96Å; D201-T203 PolarHBondContact O-N 2.84Å; D201-T203 WeakPolarHBondContact OD1-CB 3.31Å; D201-T203 PolarHBondContact OD1-N 2.68Å; D201-T203 PolarHBondContact OD1-OG1 3.41Å; D201-T203 PolarHBondContact OD2-OG1 3.01Å; D201-A204 HydrophobicContact CB-CB 4.08Å; D201-A204 WeakPolarHBondContact O-CB 3.3Å; D201-A204 PolarHBondContact O-N 3.49Å; D201-R213 PolarHBondContact O-NH1 3.31Å
202	P	85.9	Confident	89.7	Confident	96 Å²	96	70.5 Å²	70.5	62%	0.623	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.5	178.8	26.2	-34.4	0	0	0	112.7	F200 R213	F200-P202 WeakPolarHBondContact O-CD 3.45Å; P202-R213 PolarHBondContact O-NH1 2.82Å; P202-R213 VanDerWaalsContact O-NH1 3.15Å; P202-R213 PolarHBondContact O-NH2 2.79Å
203	T	86.4	Confident	89.8	Confident	119 Å²	119	68.8 Å²	68.8	73%	0.73	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.8	-179.3	73	0	0	0	0	113.1	D201	D201-T203 PolarHBondContact O-N 2.84Å; D201-T203 WeakPolarHBondContact OD1-CB 3.31Å; D201-T203 PolarHBondContact OD1-N 2.68Å; D201-T203 PolarHBondContact OD1-OG1 3.41Å; D201-T203 PolarHBondContact OD2-OG1 3.01Å
204	A	86.9	Confident	90.1	Very high	20 Å²	20	63.9 Å²	63.9	17%	0.165	35%	0.353	C	S	.	.	S	Bend	trans	-65.6	141.8	175.2	0	0	0	0	0	111.3	D201 S206 R213	D201-A204 HydrophobicContact CB-CB 4.08Å; D201-A204 WeakPolarHBondContact O-CB 3.3Å; D201-A204 PolarHBondContact O-N 3.49Å; A204-S206 VanDerWaalsContact C-N 3.32Å; A204-S206 PolarHBondContact O-N 3.5Å; A204-R213 PolarHBondContact O-NH1 2.82Å; A204-R213 PolarHBondContact O-NH2 2.83Å
205	A	86.3	Confident	90.3	Very high	110 Å²	110	67.1 Å²	67.1	91%	0.909	37%	0.369	S	S	*	.	S	Bend	trans	-67.1	-31.8	179.8	0	0	0	0	0	113
206	S	89.4	Confident	90.6	Very high	62 Å²	62	59 Å²	59	43%	0.434	34%	0.34	S	S	.	.			trans	-141.6	143.9	178.7	175.9	0	0	0	0	110.1	A204 G208	A204-S206 VanDerWaalsContact C-N 3.32Å; A204-S206 PolarHBondContact O-N 3.5Å; S206-G208 PolarHBondContact O-N 3.19Å; S206-G208 PolarHBondContact OG-N 3.45Å; S206-G208 PolarHBondContact OG-O 3.25Å
207	P	91.4	Very high	90.7	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.032	37%	0.367	C	S	.	.	S	Bend	trans	-74.9	-3.5	174.7	32.3	-35.9	0	0	0	113.6	L198 N199 R213 Y227	L198-P207 CarbonylContact C-O 3.59Å; L198-P207 VanDerWaalsContact CA-O 3.31Å; L198-P207 WeakPolarHBondContact CA-O 3.34Å; N199-P207 PolarHBondContact N-O 3.29Å; N199-P207 WeakPolarHBondContact O-CA 3.19Å; N199-P207 VanDerWaalsContact O-CB 3.3Å; N199-P207 WeakPolarHBondContact O-CB 3.38Å; P207-R213 HydrophobicContact CG-CB 4.08Å; P207-Y227 HydrophobicContact CB-CD1 3.77Å; P207-Y227 HydrophobicContact CB-CE1 4.11Å; P207-Y227 HydrophobicContact CG-CD1 4.26Å
208	G	89.3	Confident	90.7	Very high	23 Å²	23	61.9 Å²	61.9	24%	0.237	35%	0.354	C	S	.	.	S	Bend	trans	134.6	-178.7	177.5	0	0	0	0	0	113	S206 S211	S206-G208 PolarHBondContact O-N 3.19Å; S206-G208 PolarHBondContact OG-N 3.45Å; S206-G208 PolarHBondContact OG-O 3.25Å; G208-S211 WeakPolarHBondContact O-CB 3.34Å; G208-S211 PolarHBondContact O-N 3.17Å
209	D	88.1	Confident	90.7	Very high	118 Å²	118	69 Å²	69	63%	0.631	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	142.7	179.8	-69.9	-12.9	0	0	0	111.9	K196 S211	K196-D209 HydrophobicContact CD-CB 4.1Å; D209-S211 PolarHBondContact O-N 2.84Å; D209-S211 PolarHBondContact O-OG 3.15Å
210	N	90.6	Very high	90.8	Very high	65 Å²	65	71 Å²	71	35%	0.348	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	22.7	-176.8	-58.7	-20.9	0	0	0	113.8	K196 H229 I230	K196-N210 PolarHBondContact NZ-ND2 3.18Å; N210-H229 WeakPolarHBondContact O-CA 3.1Å; N210-I230 HydrophobicContact CB-CB 4.37Å; N210-I230 PolarHBondContact O-N 3.43Å
211	S	93.3	Very high	91.2	Very high	17 Å²	17	71.5 Å²	71.5	12%	0.119	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.8	-170.8	-50.7	0	0	0	0	110.5	L198 G208 D209 D228 H229	L198-S211 WeakPolarHBondContact CD2-OG 3.4Å; G208-S211 WeakPolarHBondContact O-CB 3.34Å; G208-S211 PolarHBondContact O-N 3.17Å; D209-S211 PolarHBondContact O-N 2.84Å; D209-S211 PolarHBondContact O-OG 3.15Å; S211-D228 CarbonylContact C-O 3.55Å; S211-D228 WeakPolarHBondContact CA-O 3.38Å; S211-H229 PolarHBondContact OG-ND1 3.22Å
212	K	94	Very high	91.6	Very high	138 Å²	138	74.6 Å²	74.6	60%	0.6	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.5	-180	-176.6	179.3	177.1	-179.1	0	110.2	Y227 D228	K212-Y227 CarbonylContact O-C 3.55Å; K212-Y227 WeakPolarHBondContact O-CA 3.27Å; K212-D228 PolarHBondContact N-O 2.83Å; K212-D228 PolarHBondContact O-N 2.75Å
213	R	95.1	Very high	92.1	Very high	66 Å²	66	73.8 Å²	73.8	25%	0.249	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.4	170.6	-176.6	173.8	64.9	-150.8	-0.6	109.3	D201 P202 A204 P207 V225 I226 Y227	D201-R213 PolarHBondContact O-NH1 3.31Å; P202-R213 PolarHBondContact O-NH1 2.82Å; P202-R213 VanDerWaalsContact O-NH1 3.15Å; P202-R213 PolarHBondContact O-NH2 2.79Å; A204-R213 PolarHBondContact O-NH1 2.82Å; A204-R213 PolarHBondContact O-NH2 2.83Å; P207-R213 HydrophobicContact CG-CB 4.08Å; R213-V225 HydrophobicContact CG-CG1 3.47Å; R213-V225 VanDerWaalsContact CG-CG1 3.47Å; R213-I226 CarbonylContact C-O 3.5Å; R213-I226 WeakPolarHBondContact CA-O 3.42Å; R213-Y227 HydrophobicContact CB-CD1 4.07Å; R213-Y227 HydrophobicContact CB-CE1 3.98Å; R213-Y227 HydrophobicContact CG-CD1 4.09Å; R213-Y227 HydrophobicContact CG-CE1 3.61Å
214	T	95.3	Very high	92.6	Very high	33 Å²	33	68.3 Å²	68.3	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.1	177.2	-51.7	0	0	0	0	108.7	I216 I226	T214-I216 HydrophobicContact CG2-CD1 3.92Å; T214-I226 PolarHBondContact N-O 2.86Å; T214-I226 PolarHBondContact O-N 2.96Å
215	I	95.4	Very high	93	Very high	115 Å²	115	67.7 Å²	67.7	59%	0.59	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.4	174.1	-59	171.6	0	0	0	107.6	V225	I215-V225 HydrophobicContact CG1-CG1 4.39Å; I215-V225 HydrophobicContact CG1-CG2 4.33Å
216	I	95.7	Very high	93.5	Very high	24 Å²	24	62.4 Å²	62.4	12%	0.123	32%	0.322	C	S	.	.			trans	-109.1	112.9	178.1	-56.9	-61.8	0	0	0	108.5	P94 L95 A98 T214 V224 I226	P94-I216 HydrophobicContact CB-CG2 3.84Å; L95-I216 HydrophobicContact CB-CG2 4.32Å; A98-I216 HydrophobicContact CB-CD1 4Å; T214-I216 HydrophobicContact CG2-CD1 3.92Å; I216-V224 HydrophobicContact CB-CB 4.23Å; I216-V224 HydrophobicContact CB-CG1 4.21Å; I216-V224 PolarHBondContact N-O 3.41Å; I216-I226 HydrophobicContact CD1-CD1 4.14Å; I216-I226 HydrophobicContact CG1-CD1 3.72Å; I216-I226 HydrophobicContact CG1-CG1 4.01Å
217	E	93.9	Very high	93.8	Very high	174 Å²	174	59.8 Å²	59.8	81%	0.813	30%	0.302	S	S	*	.			trans	-78.9	124.2	172.9	-64.8	179.9	-179.4	0	0	109.7
218	T	92.7	Very high	94	Very high	26 Å²	26	60.2 Å²	60.2	16%	0.16	30%	0.304	C	S	.	.			trans	-155.3	141.8	177.5	178.7	0	0	0	0	109.4	K220 Y221 V224	T218-K220 PolarHBondContact O-N 2.99Å; T218-K220 PolarHBondContact OG1-N 3.24Å; T218-Y221 HydrophobicContact CG2-CD2 3.81Å; T218-Y221 HydrophobicContact CG2-CG 4.43Å; T218-V224 HydrophobicContact CG2-CG2 4.12Å
219	D	92.4	Very high	94.3	Very high	151 Å²	151	59.1 Å²	59.1	81%	0.807	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.1	170.5	59.4	-25.2	0	0	0	113.2
220	K	91.9	Very high	94.5	Very high	84 Å²	84	57.8 Å²	57.8	37%	0.365	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-22.1	-175.7	-65	-162.4	-179.9	-168.4	0	113.6	C93 E148 K151 T218	C93-K220 HydrophobicContact CB-CD 4.16Å; E148-K220 IonicContact OE2-NZ 3.27Å; E148-K220 PolarHBondContact OE2-NZ 2.87Å; K151-K220 WeakPolarHBondContact CE-O 3Å; K151-K220 PolarHBondContact NZ-O 3.16Å; T218-K220 PolarHBondContact O-N 2.99Å; T218-K220 PolarHBondContact OG1-N 3.24Å
221	Y	94.8	Very high	94.1	Very high	16 Å²	16	55.8 Å²	55.8	6%	0.063	28%	0.275	C	S	.	.	S	Bend	trans	-135.3	148.6	-175.1	-63.3	-91.3	0	0	0	109.4	L95 I117 D119 K151 L152 T218 V224	L95-Y221 HydrophobicContact CB-CE2 4.4Å; L95-Y221 HydrophobicContact CD2-CD2 3.99Å; L95-Y221 HydrophobicContact CD2-CE1 4.41Å; L95-Y221 HydrophobicContact CD2-CE2 3.51Å; I117-Y221 HydrophobicContact CD1-CE1 4.46Å; I117-Y221 HydrophobicContact CG2-CD1 3.67Å; I117-Y221 HydrophobicContact CG2-CE1 4.06Å; D119-Y221 HydrophobicContact CB-CD1 3.99Å; K151-Y221 HydrophobicContact CD-CE1 4.03Å; K151-Y221 HydrophobicContact CG-CD1 4.42Å; K151-Y221 HydrophobicContact CG-CE1 3.48Å; K151-Y221 VanDerWaalsContact CG-CE1 3.48Å; K151-Y221 WeakPolarHBondContact CG-OH 3.45Å; L152-Y221 PolarHBondContact N-OH 2.87Å; L152-Y221 VanDerWaalsContact O-CE1 3.25Å; L152-Y221 WeakPolarHBondContact O-CE1 3.46Å; T218-Y221 HydrophobicContact CG2-CD2 3.81Å; T218-Y221 HydrophobicContact CG2-CG 4.43Å; Y221-V224 VanDerWaalsContact CB-CG2 3.43Å; Y221-V224 HydrophobicContact CD1-CG2 4.42Å; Y221-V224 HydrophobicContact CD2-CG2 4.01Å; Y221-V224 HydrophobicContact CG-CG2 3.72Å
222	L	94.9	Very high	92.9	Very high	104 Å²	104	60.1 Å²	60.1	55%	0.545	29%	0.292	S	S	.	.	S	Bend	trans	-65.2	-41.2	177.6	-61.9	172.3	0	0	0	111.8	R118 E126	R118-L222 WeakPolarHBondContact O-CB 3.43Å; R118-L222 PolarHBondContact O-N 2.86Å; E126-L222 HydrophobicContact CG-CD1 4.15Å
223	Q	95.8	Very high	91.2	Very high	80 Å²	80	63 Å²	63	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	136.7	176.5	-161.7	179.5	8.9	0	0	111	F116 I117 R118	F116-Q223 HydrophobicContact CE1-CB 4.49Å; F116-Q223 HydrophobicContact CE1-CG 4.34Å; I117-Q223 WeakPolarHBondContact CA-O 3.19Å; R118-Q223 HydrophobicContact CB-CB 3.86Å; R118-Q223 PolarHBondContact N-O 2.94Å; R118-Q223 PolarHBondContact O-N 3.14Å
224	V	96.6	Very high	89	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128.5	174.6	-174.6	0	0	0	0	110.6	L95 I115 F116 I216 T218 Y221	L95-V224 HydrophobicContact CD1-CG1 3.47Å; L95-V224 VanDerWaalsContact CD1-CG1 3.47Å; L95-V224 HydrophobicContact CD2-CG1 3.98Å; L95-V224 HydrophobicContact CD2-CG2 4.16Å; L95-V224 HydrophobicContact CG-CG1 4.16Å; I115-V224 HydrophobicContact CG2-CG1 4.43Å; F116-V224 WeakPolarHBondContact O-CA 3.49Å; I216-V224 HydrophobicContact CB-CB 4.23Å; I216-V224 HydrophobicContact CB-CG1 4.21Å; I216-V224 PolarHBondContact N-O 3.41Å; T218-V224 HydrophobicContact CG2-CG2 4.12Å; Y221-V224 VanDerWaalsContact CB-CG2 3.43Å; Y221-V224 HydrophobicContact CD1-CG2 4.42Å; Y221-V224 HydrophobicContact CD2-CG2 4.01Å; Y221-V224 HydrophobicContact CG-CG2 3.72Å
225	V	96.5	Very high	86.1	Confident	7 Å²	7	78 Å²	78	4%	0.042	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.7	176.4	-170.8	0	0	0	0	109.3	F116 R213 I215 Y227	F116-V225 HydrophobicContact CB-CB 4.14Å; F116-V225 HydrophobicContact CD1-CB 4.43Å; F116-V225 HydrophobicContact CD1-CG2 4.23Å; F116-V225 PolarHBondContact N-O 3.08Å; F116-V225 PolarHBondContact O-N 3.44Å; R213-V225 HydrophobicContact CG-CG1 3.47Å; R213-V225 VanDerWaalsContact CG-CG1 3.47Å; I215-V225 HydrophobicContact CG1-CG1 4.39Å; I215-V225 HydrophobicContact CG1-CG2 4.33Å; V225-Y227 HydrophobicContact CB-CE2 3.86Å; V225-Y227 HydrophobicContact CG1-CD2 4.18Å; V225-Y227 HydrophobicContact CG1-CE1 4.39Å; V225-Y227 HydrophobicContact CG1-CE2 3.5Å
226	I	96.9	Very high	85.7	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.5	178	-62	-180	0	0	0	108.8	L95 A98 L99 T113 R213 T214 I216	L95-I226 HydrophobicContact CD1-CD1 4.03Å; L95-I226 HydrophobicContact CD1-CG1 4.43Å; A98-I226 HydrophobicContact CB-CD1 3.7Å; L99-I226 HydrophobicContact CD2-CD1 4.3Å; T113-I226 HydrophobicContact CG2-CG2 3.43Å; T113-I226 VanDerWaalsContact CG2-CG2 3.43Å; R213-I226 CarbonylContact C-O 3.5Å; R213-I226 WeakPolarHBondContact CA-O 3.42Å; T214-I226 PolarHBondContact N-O 2.86Å; T214-I226 PolarHBondContact O-N 2.96Å; I216-I226 HydrophobicContact CD1-CD1 4.14Å; I216-I226 HydrophobicContact CG1-CD1 3.72Å; I216-I226 HydrophobicContact CG1-CG1 4.01Å
227	Y	96.2	Very high	85.1	Confident	7 Å²	7	78.9 Å²	78.9	3%	0.027	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	106.5	175.3	-62	-95.2	0	0	0	108.6	T113 I114 F116 Y130 F200 P207 K212 R213 V225	T113-Y227 CarbonylContact C-O 3.56Å; T113-Y227 WeakPolarHBondContact CA-O 3.36Å; I114-Y227 PolarHBondContact N-O 2.99Å; I114-Y227 PolarHBondContact O-N 3.23Å; F116-Y227 HydrophobicContact CB-CE2 4.13Å; Y130-Y227 HydrophobicContact CE1-CE2 4.01Å; F200-Y227 AromaticContact CD1-CD1 3.64Å; F200-Y227 HydrophobicContact CD1-CD1 3.64Å; F200-Y227 AromaticContact CD1-CD2 3.66Å; F200-Y227 HydrophobicContact CD1-CD2 3.66Å; F200-Y227 AromaticContact CD1-CE1 3.63Å; F200-Y227 HydrophobicContact CD1-CE1 3.63Å; F200-Y227 AromaticContact CD1-CE2 3.67Å; F200-Y227 HydrophobicContact CD1-CE2 3.67Å; F200-Y227 AromaticContact CD1-CG 3.65Å; F200-Y227 HydrophobicContact CD1-CG 3.65Å; F200-Y227 AromaticContact CD1-CZ 3.65Å; F200-Y227 AromaticContact CE1-CD1 3.77Å; F200-Y227 HydrophobicContact CE1-CD1 3.77Å; F200-Y227 AromaticContact CE1-CD2 3.81Å; F200-Y227 HydrophobicContact CE1-CD2 3.81Å; F200-Y227 HydrophobicContact CE1-CE1 4.25Å; F200-Y227 HydrophobicContact CE1-CE2 4.3Å; F200-Y227 AromaticContact CE1-CG 3.52Å; F200-Y227 HydrophobicContact CE1-CG 3.52Å; P207-Y227 HydrophobicContact CB-CD1 3.77Å; P207-Y227 HydrophobicContact CB-CE1 4.11Å; P207-Y227 HydrophobicContact CG-CD1 4.26Å; K212-Y227 CarbonylContact O-C 3.55Å; K212-Y227 WeakPolarHBondContact O-CA 3.27Å; R213-Y227 HydrophobicContact CB-CD1 4.07Å; R213-Y227 HydrophobicContact CB-CE1 3.98Å; R213-Y227 HydrophobicContact CG-CD1 4.09Å; R213-Y227 HydrophobicContact CG-CE1 3.61Å; V225-Y227 HydrophobicContact CB-CE2 3.86Å; V225-Y227 HydrophobicContact CG1-CD2 4.18Å; V225-Y227 HydrophobicContact CG1-CE1 4.39Å; V225-Y227 HydrophobicContact CG1-CE2 3.5Å
228	D	95.6	Very high	84.7	Confident	14 Å²	14	73.6 Å²	73.6	8%	0.075	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.8	178.7	-67.4	-45	0	0	0	109.8	R102 M111 T113 S211 K212	R102-D228 VanDerWaalsContact CD-OD1 3.31Å; R102-D228 WeakPolarHBondContact CD-OD1 3.45Å; R102-D228 IonicContact CZ-OD2 2.62Å; R102-D228 VanDerWaalsContact CZ-OD2 3.26Å; R102-D228 VanDerWaalsContact NE-CG 3.27Å; R102-D228 IonicContact NE-OD1 2.71Å; R102-D228 PolarHBondContact NE-OD1 3.18Å; R102-D228 IonicContact NE-OD2 3.97Å; R102-D228 PolarHBondContact NE-OD2 2.92Å; R102-D228 IonicContact NH2-OD2 3.48Å; R102-D228 PolarHBondContact NH2-OD2 3.2Å; M111-D228 HydrophobicContact CG-CB 4.37Å; M111-D228 HydrophobicContact SD-CB 3.84Å; T113-D228 VanDerWaalsContact CG2-OD1 3.29Å; T113-D228 WeakPolarHBondContact CG2-OD1 3.29Å; T113-D228 PolarHBondContact OG1-OD1 3.28Å; S211-D228 CarbonylContact C-O 3.55Å; S211-D228 WeakPolarHBondContact CA-O 3.38Å; K212-D228 PolarHBondContact N-O 2.83Å; K212-D228 PolarHBondContact O-N 2.75Å
229	H	94.7	Very high	84.2	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.9	177.3	-178.1	67.4	0	0	0	110.9	M111 S112 D194 L198 N210 S211 T231	M111-H229 CarbonylContact C-O 3.56Å; M111-H229 WeakPolarHBondContact CA-O 3.29Å; S112-H229 PolarHBondContact N-O 3.02Å; S112-H229 WeakPolarHBondContact O-CB 3.48Å; S112-H229 PolarHBondContact O-N 2.83Å; D194-H229 IonicContact OD1-NE2 2.83Å; D194-H229 IonicContact OD2-CE1 2.8Å; D194-H229 IonicContact OD2-NE2 2.63Å; D194-H229 PolarHBondContact OD2-NE2 3.04Å; D194-H229 VanDerWaalsContact OD2-NE2 3.08Å; L198-H229 HydrophobicContact CD1-CB 4.34Å; L198-H229 HydrophobicContact CD2-CB 4.14Å; N210-H229 WeakPolarHBondContact O-CA 3.1Å; S211-H229 PolarHBondContact OG-ND1 3.22Å; H229-T231 PolarHBondContact O-N 3.18Å
230	I	92.3	Very high	83.7	Confident	89 Å²	89	71.8 Å²	71.8	46%	0.456	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.5	-178.2	-57.6	173.8	0	0	0	109.3	N210 K232	N210-I230 HydrophobicContact CB-CB 4.37Å; N210-I230 PolarHBondContact O-N 3.43Å; I230-K232 VanDerWaalsContact CG2-O 3.3Å; I230-K232 WeakPolarHBondContact CG2-O 3.4Å
231	T	82	Confident	83.1	Confident	24 Å²	24	70.9 Å²	70.9	15%	0.147	34%	0.342	C	S	.	.			trans	-94.2	-24.9	-176.3	64.9	0	0	0	0	113.7	G109 Q110 R193 H229	G109-T231 PolarHBondContact O-OG1 3.38Å; G109-T231 VanDerWaalsContact O-OG1 3.06Å; Q110-T231 PolarHBondContact O-N 3.33Å; Q110-T231 VanDerWaalsContact O-N 3.08Å; Q110-T231 PolarHBondContact O-OG1 3.24Å; R193-T231 PolarHBondContact NH1-OG1 3.32Å; H229-T231 PolarHBondContact O-N 3.18Å
232	K	69.1	Low	82.3	Confident	107 Å²	107	74.9 Å²	74.9	47%	0.465	36%	0.362	S	S	.	.	S	Bend	trans	-105.2	120.1	171.7	-80.1	-170.5	175.8	-176.9	0	109.8	Q110 I230	Q110-K232 HydrophobicContact CG-CD 4.46Å; Q110-K232 PolarHBondContact O-N 3.2Å; I230-K232 VanDerWaalsContact CG2-O 3.3Å; I230-K232 WeakPolarHBondContact CG2-O 3.4Å
233	R	57.2	Low	81.3	Confident	199 Å²	199	72.6 Å²	72.6	75%	0.751	35%	0.348	S	S	*	.			trans	-66.9	134.3	159.7	-75.3	-176.6	172.6	171.3	-1.2	107.7	T235	R233-T235 VanDerWaalsContact C-N 3.32Å; R233-T235 PolarHBondContact O-N 3Å
234	K	49.4	Very low	80.1	Confident	211 Å²	211	72 Å²	72	92%	0.917	35%	0.345	S	S	*	.			trans	-65.6	99.3	159.7	-77.8	-176.6	175.9	-178.3	0	106.2
235	T	35.1	Very low	78.6	Confident	203 Å²	203	78.3 Å²	78.3	100%	1.245	38%	0.375	S	S	*	.			trans	-85.6	0	154.6	42.5	0	0	0	0	108.3	R233	R233-T235 VanDerWaalsContact C-N 3.32Å; R233-T235 PolarHBondContact O-N 3Å

Retrieved 235 of 235 residues in 88.5 ms (Link to these results)

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