A0A3Q0KKC2_SCHMA Loading...

Ribonuclease pH related

AlphaFold DB , UniProt , Accession A0A3Q0KKC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 aa.

						>A0A3Q0KKC2_SCHMA|A0A3Q0KKC2
MQSGCAKLVDPIDLEYFLPENKVEKKAEKCPPDIFFSLETNPITDGSAYIEVGEIKVSCSVNGPTEMRQDSQLVAVLKFASFLSWLPKDVQASIEKKLSRLLLSAIEPSVMLVGLNQNYLILFDGSSFFHFITLYAKEYL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	38.9	Very low	241 Å²	241	142.2 Å²	142.2	100%	1.187	83%	0.825	S	S	*	*				0	129.6	0	-74.5	176.4	149.3	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 2.95Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2	Q	30.6	Very low	40.7	Very low	202 Å²	202	134.7 Å²	134.7	94%	0.944	78%	0.778	S	S	*	*			trans	-55.9	118	-174.5	-78.6	171.2	-17.1	0	0	110	G4	Q2-G4 PolarHBondContact O-N 3.12Å
3	S	31.3	Very low	42.7	Very low	119 Å²	119	131.5 Å²	131.5	83%	0.832	76%	0.757	S	S	*	*			trans	-64	101.5	165.9	172.9	0	0	0	0	106.8	M1 C5	M1-S3 PolarHBondContact O-N 2.95Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-C5 VanDerWaalsContact C-N 3.34Å; S3-C5 PolarHBondContact O-N 2.97Å
4	G	30.8	Very low	44	Very low	70 Å²	70	128.5 Å²	128.5	72%	0.722	74%	0.736	S	S	*	*			trans	-67	97.4	170.8	0	0	0	0	0	107.7	Q2 A6	Q2-G4 PolarHBondContact O-N 3.12Å; G4-A6 PolarHBondContact O-N 3.23Å
5	C	29	Very low	45.4	Very low	115 Å²	115	129.3 Å²	129.3	78%	0.777	73%	0.731	S	S	*	*			trans	-57.9	105.3	166.1	-162.2	0	0	0	0	106.4	S3 K7	S3-C5 VanDerWaalsContact C-N 3.34Å; S3-C5 PolarHBondContact O-N 2.97Å; C5-K7 PolarHBondContact O-N 2.78Å; C5-K7 VanDerWaalsContact O-N 3.12Å
6	A	38.2	Very low	46.4	Very low	84 Å²	84	129.3 Å²	129.3	69%	0.694	72%	0.717	S	S	*	*			trans	-51.1	123.2	171.9	0	0	0	0	0	106.8	G4 L8	G4-A6 PolarHBondContact O-N 3.23Å; A6-L8 PolarHBondContact O-N 3.13Å
7	K	37	Very low	47.1	Very low	201 Å²	201	122.2 Å²	122.2	87%	0.874	68%	0.677	S	S	*	*			trans	-54.1	109.9	174.4	-73.6	178.6	177.6	177	0	106	C5 V9	C5-K7 PolarHBondContact O-N 2.78Å; C5-K7 VanDerWaalsContact O-N 3.12Å; K7-V9 PolarHBondContact O-N 2.72Å
8	L	40	Very low	47.5	Very low	163 Å²	163	119.4 Å²	119.4	85%	0.853	66%	0.66	S	S	*	*			trans	-52.8	106.4	171.4	-86.4	155.8	0	0	0	106.1	A6 D10	A6-L8 PolarHBondContact O-N 3.13Å; L8-D10 PolarHBondContact O-N 2.74Å
9	V	48.5	Very low	47.7	Very low	108 Å²	108	116.9 Å²	116.9	66%	0.655	65%	0.65	S	S	*	*			trans	-54.2	130.2	167.8	177.6	0	0	0	0	105.3	K7 P11	K7-V9 PolarHBondContact O-N 2.72Å; V9-P11 VanDerWaalsContact O-N 3.07Å
10	D	53.7	Low	48.1	Very low	141 Å²	141	121.1 Å²	121.1	75%	0.754	66%	0.664	S	S	*	*			trans	-43.7	121.5	-178	-73.2	-51	0	0	0	109.3	L8 I12	L8-D10 PolarHBondContact O-N 2.74Å; D10-I12 PolarHBondContact O-N 3.01Å; D10-I12 VanDerWaalsContact O-N 3.09Å
11	P	56.2	Low	48	Very low	120 Å²	120	121.5 Å²	121.5	78%	0.779	67%	0.666	S	S	*	*			trans	-57.3	122.6	-175.3	20.3	-30	0	0	0	108.2	V9 D13	V9-P11 VanDerWaalsContact O-N 3.07Å; P11-D13 PolarHBondContact O-N 3.34Å; P11-D13 VanDerWaalsContact O-N 3.11Å
12	I	60.6	Low	48.8	Very low	52 Å²	52	119.7 Å²	119.7	27%	0.267	65%	0.651	S	S	.	*			trans	-70.4	111.2	176	-66.1	172	0	0	0	106	D10 L14 F17 R100 L101	D10-I12 PolarHBondContact O-N 3.01Å; D10-I12 VanDerWaalsContact O-N 3.09Å; I12-L14 PolarHBondContact O-N 3.49Å; I12-L14 VanDerWaalsContact O-N 3.15Å; I12-F17 HydrophobicContact CG2-CE2 3.95Å; I12-R100 HydrophobicContact CD1-CB 4.08Å; I12-L101 HydrophobicContact CB-CD1 4.01Å; I12-L101 HydrophobicContact CD1-CB 3.68Å; I12-L101 HydrophobicContact CD1-CD1 4.02Å; I12-L101 HydrophobicContact CD1-CG 4.43Å; I12-L101 HydrophobicContact CG2-CD1 4.16Å
13	D	66.8	Low	49.5	Very low	93 Å²	93	115.4 Å²	115.4	50%	0.497	64%	0.639	S	S	.	*			trans	-62.5	113.8	174.2	-174.1	2.5	0	0	0	109.3	P11 E15 Y16	P11-D13 PolarHBondContact O-N 3.34Å; P11-D13 VanDerWaalsContact O-N 3.11Å; D13-E15 PolarHBondContact O-N 3.46Å; D13-E15 VanDerWaalsContact OD1-CB 3.24Å; D13-E15 WeakPolarHBondContact OD1-CB 3.09Å; D13-E15 WeakPolarHBondContact OD1-CG 3.16Å; D13-E15 PolarHBondContact OD1-N 3.4Å; D13-Y16 WeakPolarHBondContact O-CB 3.37Å; D13-Y16 PolarHBondContact O-N 3.42Å
14	L	60.9	Low	50.2	Low	90 Å²	90	118.7 Å²	118.7	47%	0.471	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-68.8	-25.4	176.9	-67.3	172.4	0	0	0	110.9	I12 Y16 F17 L101	I12-L14 PolarHBondContact O-N 3.49Å; I12-L14 VanDerWaalsContact O-N 3.15Å; L14-Y16 PolarHBondContact O-N 3.07Å; L14-F17 PolarHBondContact O-N 3.01Å; L14-L101 HydrophobicContact CD2-CD1 4.45Å; L14-L101 HydrophobicContact CD2-CD2 3.92Å
15	E	64.9	Low	50.9	Low	141 Å²	141	119.7 Å²	119.7	66%	0.659	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-63.8	-23.5	176.3	-58	-173.1	169.7	0	0	112	D13 F17 L18	D13-E15 PolarHBondContact O-N 3.46Å; D13-E15 VanDerWaalsContact OD1-CB 3.24Å; D13-E15 WeakPolarHBondContact OD1-CB 3.09Å; D13-E15 WeakPolarHBondContact OD1-CG 3.16Å; D13-E15 PolarHBondContact OD1-N 3.4Å; E15-F17 PolarHBondContact O-N 3.49Å; E15-F17 VanDerWaalsContact O-N 3.13Å; E15-L18 HydrophobicContact CB-CD1 4.26Å; E15-L18 HydrophobicContact CG-CD1 4.11Å; E15-L18 WeakPolarHBondContact O-CB 3.38Å; E15-L18 PolarHBondContact O-N 2.63Å
16	Y	61.8	Low	51.7	Low	128 Å²	128	123.7 Å²	123.7	50%	0.502	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-56.7	-28.2	171.4	-177.8	-90.8	0	0	0	112.8	D13 L14 K97	D13-Y16 WeakPolarHBondContact O-CB 3.37Å; D13-Y16 PolarHBondContact O-N 3.42Å; L14-Y16 PolarHBondContact O-N 3.07Å; Y16-K97 HydrophobicContact CE1-CD 4.12Å; Y16-K97 VanDerWaalsContact CE2-NZ 3.3Å; Y16-K97 PolarHBondContact OH-NZ 2.79Å; Y16-K97 VanDerWaalsContact OH-NZ 3.15Å
17	F	58.3	Low	52.3	Low	9 Å²	9	124.1 Å²	124.1	4%	0.039	63%	0.633	C	S	.	*	G	3₁₀ helix	trans	-97.2	-0.6	178.3	-57.8	-74.8	0	0	0	112.7	I12 L14 E15 I94 K97 L98 Y135 Y139	I12-F17 HydrophobicContact CG2-CE2 3.95Å; L14-F17 PolarHBondContact O-N 3.01Å; E15-F17 PolarHBondContact O-N 3.49Å; E15-F17 VanDerWaalsContact O-N 3.13Å; F17-I94 HydrophobicContact CE1-CG2 4.35Å; F17-K97 HydrophobicContact CZ-CB 4.21Å; F17-L98 HydrophobicContact CE1-CD2 3.96Å; F17-L98 HydrophobicContact CE1-CG 4.32Å; F17-L98 HydrophobicContact CE2-CD2 4.35Å; F17-L98 HydrophobicContact CZ-CD2 3.83Å; F17-L98 HydrophobicContact CZ-CG 4.37Å; F17-Y135 HydrophobicContact CB-CE2 4.4Å; F17-Y135 HydrophobicContact CD1-CE2 4.32Å; F17-Y135 HydrophobicContact CG-CE2 4.31Å; F17-Y139 HydrophobicContact CB-CE2 4.27Å; F17-Y139 VanDerWaalsContact O-CE2 3.25Å; F17-Y139 WeakPolarHBondContact O-CE2 3.27Å; F17-Y139 PolarHBondContact O-OH 3.08Å
18	L	53.3	Low	52.9	Low	73 Å²	73	122.6 Å²	122.6	38%	0.382	63%	0.629	S	S	.	*	S	Bend	trans	-82.2	128.9	176.8	-72.1	174.8	0	0	0	110.2	E15 E20 E138	E15-L18 HydrophobicContact CB-CD1 4.26Å; E15-L18 HydrophobicContact CG-CD1 4.11Å; E15-L18 WeakPolarHBondContact O-CB 3.38Å; E15-L18 PolarHBondContact O-N 2.63Å; L18-E20 PolarHBondContact O-N 3.33Å; L18-E138 HydrophobicContact CD2-CB 4.32Å; L18-E138 HydrophobicContact CD2-CG 3.98Å; L18-E138 WeakPolarHBondContact CD2-OE1 3.31Å; L18-E138 WeakPolarHBondContact CD2-OE2 3.34Å
19	P	51.9	Low	53.8	Low	72 Å²	72	124.9 Å²	124.9	47%	0.468	63%	0.632	S	S	.	*			trans	-63.5	129	171.5	22.9	-28.6	0	0	0	110	N21	P19-N21 PolarHBondContact O-N 3.41Å
20	E	55.3	Low	54.2	Low	199 Å²	199	124.2 Å²	124.2	93%	0.93	63%	0.631	S	S	*	*	S	Bend	trans	-56.5	-23	-179.5	-69.3	-175.9	162	0	0	113.2	L18	L18-E20 PolarHBondContact O-N 3.33Å
21	N	46.5	Very low	54.8	Low	130 Å²	130	122.8 Å²	122.8	70%	0.695	63%	0.63	S	S	*	*	S	Bend	trans	-101.7	106.7	175	-72.5	-46.6	0	0	0	109.8	P19 V23	P19-N21 PolarHBondContact O-N 3.41Å; N21-V23 PolarHBondContact O-N 2.84Å
22	K	48.7	Very low	55.6	Low	204 Å²	204	119.9 Å²	119.9	89%	0.887	61%	0.611	S	S	*	*			trans	-59.1	81.6	160.9	-69.5	-177.6	179.5	179.6	0	108.6	E24	K22-E24 PolarHBondContact O-N 3.44Å; K22-E24 VanDerWaalsContact O-N 3.13Å
23	V	46	Very low	56.5	Low	112 Å²	112	124.7 Å²	124.7	68%	0.679	64%	0.637	S	S	*	*			trans	-61.9	116.7	162.1	-178.8	0	0	0	0	104.5	N21 K25	N21-V23 PolarHBondContact O-N 2.84Å; V23-K25 PolarHBondContact O-N 3.4Å
24	E	45	Very low	57.3	Low	187 Å²	187	125 Å²	125	87%	0.874	64%	0.638	S	S	*	*			trans	-56.2	91	170.4	-74.9	-175.2	154.7	0	0	108	K22 K26	K22-E24 PolarHBondContact O-N 3.44Å; K22-E24 VanDerWaalsContact O-N 3.13Å; E24-K26 PolarHBondContact O-N 2.89Å
25	K	47.2	Very low	58.5	Low	91 Å²	91	125.8 Å²	125.8	40%	0.396	64%	0.638	S	S	.	*			trans	-65.4	106.1	169.7	-69.3	170.7	178.8	-167.9	0	105.5	V23 A27 K137 E138 L140	V23-K25 PolarHBondContact O-N 3.4Å; K25-A27 PolarHBondContact O-N 3.2Å; K25-K137 PolarHBondContact NZ-O 3.25Å; K25-E138 PolarHBondContact NZ-O 2.73Å; K25-L140 VanDerWaalsContact CD-C 3.41Å; K25-L140 WeakPolarHBondContact CD-O 3.06Å; K25-L140 WeakPolarHBondContact CD-OXT 2.94Å; K25-L140 WeakPolarHBondContact CE-O 3.38Å; K25-L140 WeakPolarHBondContact CE-OXT 3.49Å; K25-L140 WeakPolarHBondContact CG-O 3.41Å; K25-L140 VanDerWaalsContact NZ-N 3.11Å; K25-L140 PolarHBondContact NZ-O 2.89Å; K25-L140 PolarHBondContact NZ-OXT 3.43Å
26	K	45.3	Very low	59.5	Low	200 Å²	200	123.5 Å²	123.5	87%	0.87	63%	0.626	S	S	*	*			trans	-49.7	113.7	166.4	-77	-178.5	177.1	176.2	0	105.7	E24 E28	E24-K26 PolarHBondContact O-N 2.89Å; K26-E28 PolarHBondContact O-N 3.46Å
27	A	49.6	Very low	60.6	Low	93 Å²	93	119.4 Å²	119.4	77%	0.769	62%	0.616	S	S	*	*			trans	-50.7	102.8	-179.2	0	0	0	0	0	108.7	K25 K29	K25-A27 PolarHBondContact O-N 3.2Å; A27-K29 PolarHBondContact O-N 3.31Å
28	E	50.8	Low	62	Low	169 Å²	169	124 Å²	124	79%	0.79	64%	0.64	S	S	*	*			trans	-66.8	120.9	176.1	-155.3	168.7	-159.7	0	0	106	K26 C30	K26-E28 PolarHBondContact O-N 3.46Å; E28-C30 PolarHBondContact O-N 2.96Å; E28-C30 VanDerWaalsContact O-N 3.12Å
29	K	58.5	Low	63.7	Low	210 Å²	210	128.8 Å²	128.8	91%	0.913	66%	0.661	S	S	*	*	S	Bend	trans	-67.4	-13.3	-165	-93.3	-177.7	175.2	179.5	0	114.2	A27	A27-K29 PolarHBondContact O-N 3.31Å
30	C	56.2	Low	65.3	Low	94 Å²	94	128.3 Å²	128.3	64%	0.635	66%	0.657	S	S	*	*	S	Bend	trans	-125	134.8	174.2	-79.4	0	0	0	0	109	E28	E28-C30 PolarHBondContact O-N 2.96Å; E28-C30 VanDerWaalsContact O-N 3.12Å
31	P	67.9	Low	66.6	Low	111 Å²	111	121.3 Å²	121.3	72%	0.721	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-57.7	143.7	168.3	26.3	-31.9	0	0	0	108.9
32	P	72.3	Confident	68.6	Low	60 Å²	60	121 Å²	121	39%	0.39	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-59.1	144.7	178.9	23.6	-32.6	0	0	0	110.4	I34 V52	P32-I34 PolarHBondContact O-N 3.15Å; P32-V52 HydrophobicContact CG-CG1 3.88Å
33	D	79.3	Confident	70.5	Confident	153 Å²	153	118.6 Å²	118.6	82%	0.818	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-57	135.3	176.8	-74.9	-30.5	0	0	0	110.2	G53	D33-G53 PolarHBondContact O-N 3.25Å
34	I	83.2	Confident	72.3	Confident	98 Å²	98	114.3 Å²	114.3	50%	0.503	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	118.4	177.6	-58.5	178.8	0	0	0	107.8	P32 E51 V52 F129	P32-I34 PolarHBondContact O-N 3.15Å; I34-E51 CarbonylContact C-O 3.59Å; I34-E51 WeakPolarHBondContact CA-O 3.45Å; I34-V52 HydrophobicContact CG1-CG1 4.46Å; I34-V52 HydrophobicContact CG1-CG2 4.3Å; I34-V52 HydrophobicContact CG2-CG2 4.41Å; I34-F129 HydrophobicContact CG2-CE1 3.98Å
35	F	85.6	Confident	74.1	Confident	108 Å²	108	111.1 Å²	111.1	47%	0.474	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.4	136.7	169.2	-179.8	-97.7	0	0	0	109.7	Y49 I50 E51	F35-Y49 AromaticContact CD1-CD1 3.91Å; F35-Y49 HydrophobicContact CD1-CD1 3.91Å; F35-Y49 HydrophobicContact CD1-CE1 4.04Å; F35-Y49 AromaticContact CE1-CD1 3.89Å; F35-Y49 HydrophobicContact CE1-CD1 3.89Å; F35-Y49 HydrophobicContact CE1-CE1 4.22Å; F35-I50 CarbonylContact O-C 3.48Å; F35-I50 WeakPolarHBondContact O-CA 3.33Å; F35-E51 HydrophobicContact CB-CB 3.99Å; F35-E51 HydrophobicContact CB-CG 4.16Å; F35-E51 HydrophobicContact CD1-CG 4.11Å; F35-E51 PolarHBondContact N-O 3.25Å; F35-E51 PolarHBondContact O-N 3.02Å
36	F	86.7	Confident	75.8	Confident	92 Å²	92	108.2 Å²	108.2	40%	0.404	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.2	135.2	177.7	179.6	-109.4	0	0	0	110.7	L38 A48 Y49 I50 F129	F36-L38 HydrophobicContact CD1-CG 4.48Å; F36-L38 HydrophobicContact CE1-CD1 3.98Å; F36-L38 HydrophobicContact CE1-CD2 3.69Å; F36-L38 HydrophobicContact CE1-CG 3.5Å; F36-L38 VanDerWaalsContact CE1-CG 3.5Å; F36-L38 HydrophobicContact CE2-CD2 4.2Å; F36-L38 HydrophobicContact CZ-CD1 4.37Å; F36-L38 HydrophobicContact CZ-CD2 3.28Å; F36-L38 HydrophobicContact CZ-CG 3.69Å; F36-A48 HydrophobicContact CE2-CB 4.02Å; F36-A48 HydrophobicContact CZ-CB 4.41Å; F36-Y49 WeakPolarHBondContact CA-O 3.21Å; F36-I50 HydrophobicContact CD2-CD1 3.93Å; F36-I50 HydrophobicContact CD2-CG1 3.48Å; F36-I50 VanDerWaalsContact CD2-CG1 3.48Å; F36-I50 HydrophobicContact CE2-CD1 4.23Å; F36-I50 HydrophobicContact CE2-CG1 4.11Å; F36-F129 HydrophobicContact CD2-CZ 4.36Å
37	S	86	Confident	77.8	Confident	42 Å²	42	99.3 Å²	99.3	29%	0.294	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.2	172.7	-168.6	0	0	0	0	110.7	A48 Y49	S37-A48 CarbonylContact O-C 3.57Å; S37-A48 VanDerWaalsContact O-CA 3.27Å; S37-A48 WeakPolarHBondContact O-CA 3.47Å; S37-Y49 PolarHBondContact N-O 2.96Å; S37-Y49 PolarHBondContact O-N 3.13Å
38	L	87.3	Confident	79.5	Confident	107 Å²	107	95.7 Å²	95.7	56%	0.56	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	162.6	174.3	-69.8	175.1	0	0	0	110.1	F36 T40 A48	F36-L38 HydrophobicContact CD1-CG 4.48Å; F36-L38 HydrophobicContact CE1-CD1 3.98Å; F36-L38 HydrophobicContact CE1-CD2 3.69Å; F36-L38 HydrophobicContact CE1-CG 3.5Å; F36-L38 VanDerWaalsContact CE1-CG 3.5Å; F36-L38 HydrophobicContact CE2-CD2 4.2Å; F36-L38 HydrophobicContact CZ-CD1 4.37Å; F36-L38 HydrophobicContact CZ-CD2 3.28Å; F36-L38 HydrophobicContact CZ-CG 3.69Å; L38-T40 PolarHBondContact O-N 3.47Å; L38-A48 HydrophobicContact CD2-CB 3.92Å
39	E	88.4	Confident	81.1	Confident	173 Å²	173	90.1 Å²	90.1	81%	0.808	49%	0.489	S	S	*	.			trans	59.2	34.7	172.4	-58.6	179.5	-176.1	0	0	113.3	N41 S47	E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 2.6Å; E39-S47 WeakPolarHBondContact CA-OG 3.25Å; E39-S47 PolarHBondContact N-O 3.43Å
40	T	86.3	Confident	82.5	Confident	62 Å²	62	80.2 Å²	80.2	38%	0.38	45%	0.446	S	S	.	.			trans	-75.2	-18.4	-177.2	56.9	0	0	0	0	114.1	L38 S47	L38-T40 PolarHBondContact O-N 3.47Å; T40-S47 PolarHBondContact N-OG 2.88Å
41	N	82.3	Confident	83.8	Confident	52 Å²	52	78 Å²	78	28%	0.278	43%	0.427	S	S	.	.			trans	-126.7	107.9	177	-173.7	-3.8	0	0	0	110.5	E39 I43 T44 S47	E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 2.6Å; N41-I43 VanDerWaalsContact C-N 3.26Å; N41-I43 PolarHBondContact O-N 3.23Å; N41-I43 PolarHBondContact OD1-N 3.37Å; N41-T44 WeakPolarHBondContact ND2-CG2 3.24Å; N41-T44 PolarHBondContact O-OG1 3.46Å; N41-S47 PolarHBondContact N-OG 3.4Å; N41-S47 PolarHBondContact O-OG 3.25Å
42	P	88.2	Confident	84.4	Confident	123 Å²	123	73.1 Å²	73.1	80%	0.799	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.2	-175.6	30.9	-36.1	0	0	0	114.1	T44	P42-T44 VanDerWaalsContact C-N 3.29Å
43	I	89.2	Confident	84.8	Confident	153 Å²	153	72.1 Å²	72.1	79%	0.785	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-11.7	-178.3	-48.5	173.9	0	0	0	110.9	N41	N41-I43 VanDerWaalsContact C-N 3.26Å; N41-I43 PolarHBondContact O-N 3.23Å; N41-I43 PolarHBondContact OD1-N 3.37Å
44	T	83.3	Confident	84.8	Confident	23 Å²	23	72.6 Å²	72.6	14%	0.141	39%	0.392	C	S	.	.	S	Bend	trans	-113.6	151	-173.8	61.6	0	0	0	0	110.5	N41 P42 G46 N62	N41-T44 WeakPolarHBondContact ND2-CG2 3.24Å; N41-T44 PolarHBondContact O-OG1 3.46Å; P42-T44 VanDerWaalsContact C-N 3.29Å; T44-G46 PolarHBondContact O-N 2.87Å; T44-G46 PolarHBondContact OG1-O 3.3Å; T44-N62 VanDerWaalsContact CA-OD1 3.27Å; T44-N62 WeakPolarHBondContact CA-OD1 3.24Å; T44-N62 VanDerWaalsContact CB-OD1 3.31Å; T44-N62 WeakPolarHBondContact CB-OD1 3.33Å; T44-N62 WeakPolarHBondContact CG2-OD1 3.5Å
45	D	83.5	Confident	84.7	Confident	120 Å²	120	70 Å²	70	64%	0.642	38%	0.38	S	S	*	.	S	Bend	trans	-64.8	-27.3	-177.9	-58	-57.4	0	0	0	113	V61 N62 G63	D45-V61 PolarHBondContact N-O 3.04Å; D45-V61 VanDerWaalsContact N-O 3.17Å; D45-N62 VanDerWaalsContact OD2-CA 3.29Å; D45-N62 WeakPolarHBondContact OD2-CA 3.48Å; D45-G63 PolarHBondContact OD2-N 2.87Å
46	G	82.7	Confident	84.7	Confident	29 Å²	29	70.9 Å²	70.9	30%	0.299	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	144.2	171.8	0	0	0	0	0	111.4	T44 S60 V61	T44-G46 PolarHBondContact O-N 2.87Å; T44-G46 PolarHBondContact OG1-O 3.3Å; G46-S60 CarbonylContact O-C 3.55Å; G46-S60 WeakPolarHBondContact O-CA 3.37Å; G46-V61 PolarHBondContact N-O 3.23Å; G46-V61 VanDerWaalsContact N-O 3.08Å; G46-V61 PolarHBondContact O-N 2.85Å
47	S	85.9	Confident	84.7	Confident	13 Å²	13	68.5 Å²	68.5	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.4	178.5	52.6	0	0	0	0	112.1	E39 T40 N41 C59	E39-S47 WeakPolarHBondContact CA-OG 3.25Å; E39-S47 PolarHBondContact N-O 3.43Å; T40-S47 PolarHBondContact N-OG 2.88Å; N41-S47 PolarHBondContact N-OG 3.4Å; N41-S47 PolarHBondContact O-OG 3.25Å; S47-C59 VanDerWaalsContact CA-O 3.25Å; S47-C59 WeakPolarHBondContact CA-O 3.43Å; S47-C59 WeakPolarHBondContact CB-O 3.22Å
48	A	86.3	Confident	84.7	Confident	17 Å²	17	70.3 Å²	70.3	14%	0.14	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153.3	178.4	0	0	0	0	0	110.3	F36 S37 L38 C59	F36-A48 HydrophobicContact CE2-CB 4.02Å; F36-A48 HydrophobicContact CZ-CB 4.41Å; S37-A48 CarbonylContact O-C 3.57Å; S37-A48 VanDerWaalsContact O-CA 3.27Å; S37-A48 WeakPolarHBondContact O-CA 3.47Å; L38-A48 HydrophobicContact CD2-CB 3.92Å; A48-C59 HydrophobicContact CB-CB 4.48Å; A48-C59 PolarHBondContact N-O 2.9Å; A48-C59 PolarHBondContact O-N 3.2Å
49	Y	85.1	Confident	84.7	Confident	52 Å²	52	66.6 Å²	66.6	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.8	175.2	-179.1	-107.2	0	0	0	109.6	F35 F36 S37 E51 K56 V57	F35-Y49 AromaticContact CD1-CD1 3.91Å; F35-Y49 HydrophobicContact CD1-CD1 3.91Å; F35-Y49 HydrophobicContact CD1-CE1 4.04Å; F35-Y49 AromaticContact CE1-CD1 3.89Å; F35-Y49 HydrophobicContact CE1-CD1 3.89Å; F35-Y49 HydrophobicContact CE1-CE1 4.22Å; F36-Y49 WeakPolarHBondContact CA-O 3.21Å; S37-Y49 PolarHBondContact N-O 2.96Å; S37-Y49 PolarHBondContact O-N 3.13Å; Y49-E51 HydrophobicContact CD1-CG 4.15Å; Y49-E51 HydrophobicContact CE1-CG 3.23Å; Y49-E51 WeakPolarHBondContact CE1-OE1 3.49Å; Y49-E51 VanDerWaalsContact OH-CD 3.31Å; Y49-E51 WeakPolarHBondContact OH-CG 3.27Å; Y49-E51 PolarHBondContact OH-OE1 3.46Å; Y49-K56 HydrophobicContact CE2-CB 4.27Å; Y49-K56 WeakPolarHBondContact OH-CB 3.44Å; Y49-K56 WeakPolarHBondContact OH-CD 3.29Å; Y49-K56 WeakPolarHBondContact OH-CG 3.38Å; Y49-V57 WeakPolarHBondContact CA-O 3.21Å; Y49-V57 VanDerWaalsContact CD2-O 3.24Å; Y49-V57 WeakPolarHBondContact CD2-O 3.45Å
50	I	86.8	Confident	84.6	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.9	177.3	-85.7	-179.1	0	0	0	109.2	F35 F36 V52 K56 V57 F128 F129 I132	F35-I50 CarbonylContact O-C 3.48Å; F35-I50 WeakPolarHBondContact O-CA 3.33Å; F36-I50 HydrophobicContact CD2-CD1 3.93Å; F36-I50 HydrophobicContact CD2-CG1 3.48Å; F36-I50 VanDerWaalsContact CD2-CG1 3.48Å; F36-I50 HydrophobicContact CE2-CD1 4.23Å; F36-I50 HydrophobicContact CE2-CG1 4.11Å; I50-V52 HydrophobicContact CG2-CG2 3.69Å; I50-K56 WeakPolarHBondContact O-CA 3.36Å; I50-V57 PolarHBondContact N-O 3.43Å; I50-V57 PolarHBondContact O-N 2.83Å; I50-F128 HydrophobicContact CD1-CD1 4.3Å; I50-F128 HydrophobicContact CD1-CE1 4.16Å; I50-F129 HydrophobicContact CD1-CD1 4.37Å; I50-F129 HydrophobicContact CD1-CD2 4.47Å; I50-F129 HydrophobicContact CD1-CE1 3.83Å; I50-F129 HydrophobicContact CD1-CE2 3.95Å; I50-F129 HydrophobicContact CD1-CZ 3.61Å; I50-F129 HydrophobicContact CG1-CZ 4.44Å; I50-I132 HydrophobicContact CB-CD1 4.16Å; I50-I132 HydrophobicContact CD1-CD1 3.93Å; I50-I132 HydrophobicContact CG2-CD1 3.91Å; I50-I132 HydrophobicContact CG2-CG2 4.06Å
51	E	84.3	Confident	84.6	Confident	49 Å²	49	60.4 Å²	60.4	23%	0.229	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134	159.9	-44.3	-165.3	160.5	0	0	109.5	I34 F35 Y49 I55 K56	I34-E51 CarbonylContact C-O 3.59Å; I34-E51 WeakPolarHBondContact CA-O 3.45Å; F35-E51 HydrophobicContact CB-CB 3.99Å; F35-E51 HydrophobicContact CB-CG 4.16Å; F35-E51 HydrophobicContact CD1-CG 4.11Å; F35-E51 PolarHBondContact N-O 3.25Å; F35-E51 PolarHBondContact O-N 3.02Å; Y49-E51 HydrophobicContact CD1-CG 4.15Å; Y49-E51 HydrophobicContact CE1-CG 3.23Å; Y49-E51 WeakPolarHBondContact CE1-OE1 3.49Å; Y49-E51 VanDerWaalsContact OH-CD 3.31Å; Y49-E51 WeakPolarHBondContact OH-CG 3.27Å; Y49-E51 PolarHBondContact OH-OE1 3.46Å; E51-I55 CarbonylContact C-O 3.53Å; E51-I55 VanDerWaalsContact CA-O 3.28Å; E51-I55 WeakPolarHBondContact CA-O 3.28Å; E51-K56 HydrophobicContact CB-CG 4.38Å; E51-K56 HydrophobicContact CG-CG 4.02Å; E51-K56 IonicContact OE1-NZ 3.04Å; E51-K56 PolarHBondContact OE1-NZ 2.61Å; E51-K56 IonicContact OE2-NZ 2.78Å; E51-K56 PolarHBondContact OE2-NZ 3.11Å
52	V	79.6	Confident	84.5	Confident	8 Å²	8	62.7 Å²	62.7	5%	0.048	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	98	170.8	-175.5	0	0	0	0	107.1	P32 I34 I50 E54 I55 I132 A136	P32-V52 HydrophobicContact CG-CG1 3.88Å; I34-V52 HydrophobicContact CG1-CG1 4.46Å; I34-V52 HydrophobicContact CG1-CG2 4.3Å; I34-V52 HydrophobicContact CG2-CG2 4.41Å; I50-V52 HydrophobicContact CG2-CG2 3.69Å; V52-E54 PolarHBondContact O-N 2.89Å; V52-I55 PolarHBondContact N-O 3.48Å; V52-I55 WeakPolarHBondContact O-CB 3.33Å; V52-I55 PolarHBondContact O-N 2.96Å; V52-I132 HydrophobicContact CG2-CG2 4.03Å; V52-A136 HydrophobicContact CB-CB 4.48Å; V52-A136 HydrophobicContact CG1-CB 3.99Å
53	G	81.3	Confident	84	Confident	38 Å²	38	57.8 Å²	57.8	39%	0.392	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	-119.8	-172.3	0	0	0	0	0	111.6	D33 I55	D33-G53 PolarHBondContact O-N 3.25Å; G53-I55 VanDerWaalsContact C-N 3.33Å
54	E	79.7	Confident	83	Confident	163 Å²	163	54.1 Å²	54.1	76%	0.762	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-10	178.2	-58.8	-166.8	160.3	0	0	113.7	V52	V52-E54 PolarHBondContact O-N 2.89Å
55	I	80.3	Confident	82.1	Confident	45 Å²	45	58.3 Å²	58.3	23%	0.231	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.1	-176.9	-61.3	176.3	0	0	0	109.1	E51 V52 G53 V57 A136	E51-I55 CarbonylContact C-O 3.53Å; E51-I55 VanDerWaalsContact CA-O 3.28Å; E51-I55 WeakPolarHBondContact CA-O 3.28Å; V52-I55 PolarHBondContact N-O 3.48Å; V52-I55 WeakPolarHBondContact O-CB 3.33Å; V52-I55 PolarHBondContact O-N 2.96Å; G53-I55 VanDerWaalsContact C-N 3.33Å; I55-V57 HydrophobicContact CG2-CG2 3.88Å; I55-A136 VanDerWaalsContact CD1-CA 3.46Å; I55-A136 HydrophobicContact CD1-CB 3.7Å
56	K	85.3	Confident	80.9	Confident	126 Å²	126	62 Å²	62	55%	0.548	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.1	177.5	-62.7	174.3	-178	-107.8	0	108.9	Y49 I50 E51	Y49-K56 HydrophobicContact CE2-CB 4.27Å; Y49-K56 WeakPolarHBondContact OH-CB 3.44Å; Y49-K56 WeakPolarHBondContact OH-CD 3.29Å; Y49-K56 WeakPolarHBondContact OH-CG 3.38Å; I50-K56 WeakPolarHBondContact O-CA 3.36Å; E51-K56 HydrophobicContact CB-CG 4.38Å; E51-K56 HydrophobicContact CG-CG 4.02Å; E51-K56 IonicContact OE1-NZ 3.04Å; E51-K56 PolarHBondContact OE1-NZ 2.61Å; E51-K56 IonicContact OE2-NZ 2.78Å; E51-K56 PolarHBondContact OE2-NZ 3.11Å
57	V	86.6	Confident	79.3	Confident	41 Å²	41	68.8 Å²	68.8	25%	0.248	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.9	-177.3	-172.3	0	0	0	0	109	Y49 I50 I55 I132	Y49-V57 WeakPolarHBondContact CA-O 3.21Å; Y49-V57 VanDerWaalsContact CD2-O 3.24Å; Y49-V57 WeakPolarHBondContact CD2-O 3.45Å; I50-V57 PolarHBondContact N-O 3.43Å; I50-V57 PolarHBondContact O-N 2.83Å; I55-V57 HydrophobicContact CG2-CG2 3.88Å; V57-I132 HydrophobicContact CB-CD1 4.11Å; V57-I132 HydrophobicContact CG1-CD1 4.22Å; V57-I132 HydrophobicContact CG2-CD1 4.06Å
58	S	85.7	Confident	77.9	Confident	80 Å²	80	75.8 Å²	75.8	56%	0.559	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.6	168.2	-174.2	0	0	0	0	109.2
59	C	88.8	Confident	76.2	Confident	30 Å²	30	84.6 Å²	84.6	20%	0.203	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.8	-177.2	-55	0	0	0	0	109.1	S47 A48 F128	S47-C59 VanDerWaalsContact CA-O 3.25Å; S47-C59 WeakPolarHBondContact CA-O 3.43Å; S47-C59 WeakPolarHBondContact CB-O 3.22Å; A48-C59 HydrophobicContact CB-CB 4.48Å; A48-C59 PolarHBondContact N-O 2.9Å; A48-C59 PolarHBondContact O-N 3.2Å; C59-F128 HydrophobicContact CB-CZ 4.45Å; C59-F128 WeakPolarHBondContact SG-CZ 3.36Å
60	S	86.3	Confident	74.8	Confident	57 Å²	57	87.8 Å²	87.8	40%	0.399	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	141.9	173.5	-55.6	0	0	0	0	109.8	G46	G46-S60 CarbonylContact O-C 3.55Å; G46-S60 WeakPolarHBondContact O-CA 3.37Å
61	V	85.4	Confident	73.4	Confident	48 Å²	48	90.6 Å²	90.6	29%	0.291	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.5	178.9	-179.2	0	0	0	0	106.9	D45 G46 I121 F123	D45-V61 PolarHBondContact N-O 3.04Å; D45-V61 VanDerWaalsContact N-O 3.17Å; G46-V61 PolarHBondContact N-O 3.23Å; G46-V61 VanDerWaalsContact N-O 3.08Å; G46-V61 PolarHBondContact O-N 2.85Å; V61-I121 HydrophobicContact CG1-CD1 3.78Å; V61-F123 HydrophobicContact CG2-CE2 4.32Å
62	N	80.3	Confident	72.8	Confident	99 Å²	99	93.9 Å²	93.9	53%	0.529	50%	0.501	S	S	.	.			trans	-125.7	136.4	171.9	-61.9	-73.7	0	0	0	107.8	T44 D45	T44-N62 VanDerWaalsContact CA-OD1 3.27Å; T44-N62 WeakPolarHBondContact CA-OD1 3.24Å; T44-N62 VanDerWaalsContact CB-OD1 3.31Å; T44-N62 WeakPolarHBondContact CB-OD1 3.33Å; T44-N62 WeakPolarHBondContact CG2-OD1 3.5Å; D45-N62 VanDerWaalsContact OD2-CA 3.29Å; D45-N62 WeakPolarHBondContact OD2-CA 3.48Å
63	G	77	Confident	72.7	Confident	21 Å²	21	95.1 Å²	95.1	22%	0.216	51%	0.507	C	S	.	.			trans	145.1	170.1	178	0	0	0	0	0	112.8	D45	D45-G63 PolarHBondContact OD2-N 2.87Å
64	P	68.4	Low	72.7	Confident	75 Å²	75	97.6 Å²	97.6	49%	0.487	52%	0.515	S	S	.	.			cis	-76.8	135	4.2	29.6	-33.9	0	0	0	112.8	Y119	P64-Y119 HydrophobicContact CB-CD2 3.52Å; P64-Y119 HydrophobicContact CB-CE2 4.27Å; P64-Y119 HydrophobicContact CB-CG 4.32Å; P64-Y119 HydrophobicContact CG-CD2 3.85Å
65	T	64.6	Low	72.9	Confident	111 Å²	111	90.6 Å²	90.6	68%	0.681	49%	0.485	S	S	*	.			trans	-92.7	122.5	171.4	-23.7	0	0	0	0	108.3	M67	T65-M67 PolarHBondContact O-N 3.04Å
66	E	57.9	Low	73.2	Confident	197 Å²	197	93.2 Å²	93.2	92%	0.921	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-10.8	-173.9	-69.2	-175.6	153.8	0	0	115.3	R68	E66-R68 PolarHBondContact O-N 2.78Å
67	M	50.7	Low	73.3	Confident	172 Å²	172	89 Å²	89	85%	0.847	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	4.8	-161.9	-68.1	-160.8	73.3	0	0	116.9	T65	T65-M67 PolarHBondContact O-N 3.04Å
68	R	55.2	Low	73.3	Confident	160 Å²	160	94.6 Å²	94.6	60%	0.604	51%	0.507	S	S	*	.			trans	-117.6	124.1	176.4	-62.8	-158.1	-179	-166.2	3.6	111.6	E66 D70	E66-R68 PolarHBondContact O-N 2.78Å; R68-D70 WeakPolarHBondContact CB-O 3.45Å; R68-D70 PolarHBondContact O-N 3.11Å
69	Q	50.5	Low	73.2	Confident	202 Å²	202	92.7 Å²	92.7	94%	0.944	49%	0.489	S	S	*	.	S	Bend	trans	-61.6	-24.6	-179.4	-77.8	-177.7	-25.5	0	0	113
70	D	56.4	Low	72.8	Confident	119 Å²	119	93 Å²	93	64%	0.636	49%	0.493	S	S	*	.	S	Bend	trans	-112.8	133.4	170.6	-62.4	-44.5	0	0	0	108.9	R68 Q72	R68-D70 WeakPolarHBondContact CB-O 3.45Å; R68-D70 PolarHBondContact O-N 3.11Å; D70-Q72 VanDerWaalsContact C-N 3.32Å; D70-Q72 PolarHBondContact O-N 3.02Å
71	S	58.2	Low	72.2	Confident	61 Å²	61	96.1 Å²	96.1	43%	0.427	52%	0.515	S	S	.	.			trans	-57.7	94.5	171.6	-39.2	0	0	0	0	108.7	L112	S71-L112 WeakPolarHBondContact O-CD1 3.46Å
72	Q	70.7	Confident	71.9	Confident	118 Å²	118	101.6 Å²	101.6	55%	0.551	54%	0.535	S	S	*	.			trans	-107.2	119.4	-178	-94.1	-174.8	-5.7	0	0	110.5	D70	D70-Q72 VanDerWaalsContact C-N 3.32Å; D70-Q72 PolarHBondContact O-N 3.02Å
73	L	76.7	Confident	71.4	Confident	34 Å²	34	99.9 Å²	99.9	18%	0.178	53%	0.526	C	S	.	.			trans	-78.8	128.8	163.8	-174	61	0	0	0	108.8	L103 I106 V110	L73-L103 HydrophobicContact CB-CD1 4.07Å; L73-L103 HydrophobicContact CD2-CD1 4.01Å; L73-L103 HydrophobicContact CG-CD1 3.8Å; L73-L103 WeakPolarHBondContact O-CD1 3.44Å; L73-I106 HydrophobicContact CD2-CD1 3.69Å; L73-I106 HydrophobicContact CD2-CG1 3.69Å; L73-I106 HydrophobicContact CG-CD1 4.21Å; L73-V110 HydrophobicContact CD2-CB 4.13Å; L73-V110 HydrophobicContact CD2-CG1 4.43Å; L73-V110 HydrophobicContact CD2-CG2 3.87Å
74	V	82	Confident	70.5	Confident	91 Å²	91	104.4 Å²	104.4	55%	0.552	55%	0.554	S	S	*	*			trans	-122.1	121.2	175.6	-178.4	0	0	0	0	107.9	V76	V74-V76 HydrophobicContact CG1-CG2 4.16Å
75	A	83.8	Confident	70.8	Confident	15 Å²	15	107.7 Å²	107.7	12%	0.124	56%	0.557	C	S	.	*			trans	-107	133.9	172.6	0	0	0	0	0	109.8	L102 L103 I106	A75-L102 HydrophobicContact CB-CB 4.43Å; A75-L102 HydrophobicContact CB-CD2 4.09Å; A75-L102 HydrophobicContact CB-CG 4.11Å; A75-L103 HydrophobicContact CB-CB 3.91Å; A75-L103 HydrophobicContact CB-CD1 4.28Å; A75-I106 HydrophobicContact CB-CD1 4.04Å
76	V	86.5	Confident	71.1	Confident	101 Å²	101	104.2 Å²	104.2	61%	0.612	53%	0.534	S	S	*	.			trans	-132.5	121.8	175.7	-178.1	0	0	0	0	108.3	V74 K78	V74-V76 HydrophobicContact CG1-CG2 4.16Å; V76-K78 HydrophobicContact CG1-CG 4.13Å
77	L	88.3	Confident	72.2	Confident	37 Å²	37	98.5 Å²	98.5	19%	0.194	51%	0.513	C	S	.	.			trans	-104.8	132.2	170.4	-174.8	147.4	0	0	0	108.7	F79 E95 L98 S99 F131	L77-F79 HydrophobicContact CD2-CE1 4.43Å; L77-F79 HydrophobicContact CD2-CE2 4.4Å; L77-F79 HydrophobicContact CD2-CZ 4.27Å; L77-E95 WeakPolarHBondContact O-CB 3.27Å; L77-L98 HydrophobicContact CB-CB 4.5Å; L77-L98 HydrophobicContact CD1-CB 4.16Å; L77-L98 HydrophobicContact CD1-CD1 4.43Å; L77-L98 HydrophobicContact CD2-CB 4.13Å; L77-L98 HydrophobicContact CD2-CD1 3.91Å; L77-S99 PolarHBondContact N-OG 3.19Å; L77-F131 HydrophobicContact CD1-CE1 4.32Å
78	K	86.1	Confident	73.8	Confident	159 Å²	159	98.9 Å²	98.9	69%	0.691	51%	0.511	S	S	*	.			trans	-132	139.1	173.1	-70.7	-164.5	176.8	-173.1	0	110.5	V76	V76-K78 HydrophobicContact CG1-CG 4.13Å
79	F	84.3	Confident	75.1	Confident	40 Å²	40	97 Å²	97	18%	0.175	51%	0.513	C	S	.	.			trans	-79.3	146.5	166.3	-62.3	-70.3	0	0	0	109.4	L77 L83 W85 Q91 I94 E95 L98	L77-F79 HydrophobicContact CD2-CE1 4.43Å; L77-F79 HydrophobicContact CD2-CE2 4.4Å; L77-F79 HydrophobicContact CD2-CZ 4.27Å; F79-L83 HydrophobicContact CB-CD1 3.96Å; F79-L83 HydrophobicContact CD1-CD1 4.09Å; F79-L83 HydrophobicContact CG-CD1 4.47Å; F79-W85 HydrophobicContact CE1-CZ2 4.4Å; F79-Q91 HydrophobicContact CB-CG 4.35Å; F79-Q91 HydrophobicContact CD2-CG 3.67Å; F79-Q91 HydrophobicContact CE2-CG 4.48Å; F79-Q91 HydrophobicContact CG-CG 4.44Å; F79-I94 HydrophobicContact CE2-CB 4.33Å; F79-I94 HydrophobicContact CE2-CG2 3.73Å; F79-I94 HydrophobicContact CZ-CG2 3.97Å; F79-E95 HydrophobicContact CD2-CG 3.52Å; F79-E95 HydrophobicContact CE2-CG 3.9Å; F79-E95 HydrophobicContact CG-CG 4.49Å; F79-E95 PolarHBondContact N-OE1 3.36Å; F79-L98 HydrophobicContact CE2-CD1 4.35Å; F79-L98 HydrophobicContact CZ-CD1 3.77Å
80	A	80	Confident	76.7	Confident	36 Å²	36	89.9 Å²	89.9	30%	0.298	48%	0.482	S	S	.	.			trans	-63.9	144.3	174.4	0	0	0	0	0	110.7	F82 L83	A80-F82 HydrophobicContact CB-CD1 3.76Å; A80-F82 HydrophobicContact CB-CD2 4.3Å; A80-F82 HydrophobicContact CB-CE1 3.31Å; A80-F82 HydrophobicContact CB-CE2 3.89Å; A80-F82 HydrophobicContact CB-CG 4.24Å; A80-F82 HydrophobicContact CB-CZ 3.37Å; A80-F82 PolarHBondContact O-N 3.45Å; A80-F82 VanDerWaalsContact O-N 3.08Å; A80-L83 HydrophobicContact CB-CD1 4.33Å; A80-L83 HydrophobicContact CB-CG 4.35Å; A80-L83 WeakPolarHBondContact O-CB 3.13Å; A80-L83 PolarHBondContact O-N 3.2Å
81	S	74	Confident	77.8	Confident	122 Å²	122	85.6 Å²	85.6	85%	0.853	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.4	-175.4	51.8	0	0	0	0	114.5	L83	S81-L83 VanDerWaalsContact C-N 3.35Å
82	F	78.3	Confident	79	Confident	163 Å²	163	85.2 Å²	85.2	72%	0.715	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.8	176.5	57.9	-104.9	0	0	0	113.5	A80 S84	A80-F82 HydrophobicContact CB-CD1 3.76Å; A80-F82 HydrophobicContact CB-CD2 4.3Å; A80-F82 HydrophobicContact CB-CE1 3.31Å; A80-F82 HydrophobicContact CB-CE2 3.89Å; A80-F82 HydrophobicContact CB-CG 4.24Å; A80-F82 HydrophobicContact CB-CZ 3.37Å; A80-F82 PolarHBondContact O-N 3.45Å; A80-F82 VanDerWaalsContact O-N 3.08Å; F82-S84 PolarHBondContact O-N 2.87Å
83	L	69.5	Low	79.8	Confident	64 Å²	64	82.3 Å²	82.3	34%	0.335	45%	0.452	S	S	.	.			trans	-73.9	95.7	173.7	-68.2	174.2	0	0	0	108.3	F79 A80 S81	F79-L83 HydrophobicContact CB-CD1 3.96Å; F79-L83 HydrophobicContact CD1-CD1 4.09Å; F79-L83 HydrophobicContact CG-CD1 4.47Å; A80-L83 HydrophobicContact CB-CD1 4.33Å; A80-L83 HydrophobicContact CB-CG 4.35Å; A80-L83 WeakPolarHBondContact O-CB 3.13Å; A80-L83 PolarHBondContact O-N 3.2Å; S81-L83 VanDerWaalsContact C-N 3.35Å
84	S	58.2	Low	80.1	Confident	115 Å²	115	81.7 Å²	81.7	80%	0.804	45%	0.449	S	S	*	.			trans	-93	8.4	-172.2	57.3	0	0	0	0	114.8	F82 L86	F82-S84 PolarHBondContact O-N 2.87Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 2.82Å
85	W	74.2	Confident	80.1	Confident	144 Å²	144	78.8 Å²	78.8	55%	0.545	43%	0.429	S	S	.	.	S	Bend	trans	-73.9	-15.6	-172.1	64.1	-59.9	0	0	0	114.9	F79	F79-W85 HydrophobicContact CE1-CZ2 4.4Å
86	L	72	Confident	80.2	Confident	39 Å²	39	84.2 Å²	84.2	20%	0.204	45%	0.45	C	S	.	.	S	Bend	trans	-127.6	144.7	-178.6	-81.8	153	0	0	0	112.1	S84 V90 Q91 I94	S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 2.82Å; L86-V90 HydrophobicContact CD2-CB 4.25Å; L86-V90 HydrophobicContact CD2-CG1 3.69Å; L86-Q91 HydrophobicContact CB-CB 4.41Å; L86-I94 HydrophobicContact CD1-CD1 3.85Å; L86-I94 HydrophobicContact CD2-CD1 4.21Å
87	P	81.3	Confident	80.2	Confident	76 Å²	76	82.5 Å²	82.5	49%	0.494	43%	0.434	S	S	.	.			trans	-55.6	141.8	165.7	-22.5	33.2	0	0	0	111.2	D89 V90 Q91	P87-D89 VanDerWaalsContact C-N 3.27Å; P87-D89 WeakPolarHBondContact CB-OD1 3.42Å; P87-D89 PolarHBondContact O-N 2.77Å; P87-V90 HydrophobicContact CB-CB 4.44Å; P87-V90 HydrophobicContact CB-CG2 4.04Å; P87-V90 HydrophobicContact CG-CG2 4.19Å; P87-V90 PolarHBondContact O-N 2.91Å; P87-Q91 PolarHBondContact O-N 2.86Å
88	K	82.9	Confident	79.9	Confident	181 Å²	181	81 Å²	81	79%	0.787	43%	0.426	S	S	*	.	H	α-helix	trans	-58.1	-36.9	-172.4	-72.3	-174.2	177	-179.7	0	113.8	A92	K88-A92 WeakPolarHBondContact O-CB 3.5Å; K88-A92 PolarHBondContact O-N 3.09Å
89	D	83.2	Confident	79.7	Confident	121 Å²	121	74.1 Å²	74.1	65%	0.647	40%	0.398	S	S	*	.	H	α-helix	trans	-66.1	-41.3	177	55.1	-53.7	0	0	0	111.8	P87 S93	P87-D89 VanDerWaalsContact C-N 3.27Å; P87-D89 WeakPolarHBondContact CB-OD1 3.42Å; P87-D89 PolarHBondContact O-N 2.77Å; D89-S93 PolarHBondContact O-N 3.15Å
90	V	83.4	Confident	79.7	Confident	51 Å²	51	79.1 Å²	79.1	31%	0.309	42%	0.416	S	S	.	.	H	α-helix	trans	-69.1	-43.6	175.2	-174.5	0	0	0	0	110.4	L86 P87 A92 S93 I94	L86-V90 HydrophobicContact CD2-CB 4.25Å; L86-V90 HydrophobicContact CD2-CG1 3.69Å; P87-V90 HydrophobicContact CB-CB 4.44Å; P87-V90 HydrophobicContact CB-CG2 4.04Å; P87-V90 HydrophobicContact CG-CG2 4.19Å; P87-V90 PolarHBondContact O-N 2.91Å; V90-A92 PolarHBondContact O-N 2.49Å; V90-S93 WeakPolarHBondContact O-CB 3.46Å; V90-S93 PolarHBondContact O-N 3.37Å; V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.43Å; V90-I94 WeakPolarHBondContact O-CG1 3.48Å; V90-I94 PolarHBondContact O-N 3.34Å
91	Q	80	Confident	79.7	Confident	30 Å²	30	78.7 Å²	78.7	14%	0.14	41%	0.408	C	S	.	.	H	α-helix	trans	-56	-50.2	176.8	-174.8	-171.4	-23.7	0	0	111.4	F79 L86 P87 S93 I94 E95	F79-Q91 HydrophobicContact CB-CG 4.35Å; F79-Q91 HydrophobicContact CD2-CG 3.67Å; F79-Q91 HydrophobicContact CE2-CG 4.48Å; F79-Q91 HydrophobicContact CG-CG 4.44Å; L86-Q91 HydrophobicContact CB-CB 4.41Å; P87-Q91 PolarHBondContact O-N 2.86Å; Q91-S93 VanDerWaalsContact C-N 3.29Å; Q91-S93 PolarHBondContact O-N 3.39Å; Q91-I94 PolarHBondContact O-N 3.24Å; Q91-E95 HydrophobicContact CG-CG 4.46Å; Q91-E95 PolarHBondContact NE2-OE1 3.2Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 2.72Å
92	A	84.8	Confident	80.2	Confident	53 Å²	53	73.9 Å²	73.9	44%	0.438	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-36.2	179.5	0	0	0	0	0	112.7	K88 V90 K96	K88-A92 WeakPolarHBondContact O-CB 3.5Å; K88-A92 PolarHBondContact O-N 3.09Å; V90-A92 PolarHBondContact O-N 2.49Å; A92-K96 WeakPolarHBondContact O-CB 3.48Å; A92-K96 PolarHBondContact O-N 3.45Å; A92-K96 VanDerWaalsContact O-N 3.09Å
93	S	85.8	Confident	80.4	Confident	57 Å²	57	68.2 Å²	68.2	40%	0.399	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-44.6	174.8	-174	0	0	0	0	111.6	D89 V90 Q91 K96 K97	D89-S93 PolarHBondContact O-N 3.15Å; V90-S93 WeakPolarHBondContact O-CB 3.46Å; V90-S93 PolarHBondContact O-N 3.37Å; Q91-S93 VanDerWaalsContact C-N 3.29Å; Q91-S93 PolarHBondContact O-N 3.39Å; S93-K96 PolarHBondContact O-N 2.89Å; S93-K97 WeakPolarHBondContact O-CG 3.14Å; S93-K97 PolarHBondContact O-N 3.2Å; S93-K97 VanDerWaalsContact O-N 3.07Å
94	I	82.7	Confident	80.9	Confident	20 Å²	20	67.7 Å²	67.7	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-65.6	-47.6	177.6	-67.4	168.7	0	0	0	110.6	F17 F79 L86 V90 Q91 K96 K97 L98	F17-I94 HydrophobicContact CE1-CG2 4.35Å; F79-I94 HydrophobicContact CE2-CB 4.33Å; F79-I94 HydrophobicContact CE2-CG2 3.73Å; F79-I94 HydrophobicContact CZ-CG2 3.97Å; L86-I94 HydrophobicContact CD1-CD1 3.85Å; L86-I94 HydrophobicContact CD2-CD1 4.21Å; V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.43Å; V90-I94 WeakPolarHBondContact O-CG1 3.48Å; V90-I94 PolarHBondContact O-N 3.34Å; Q91-I94 PolarHBondContact O-N 3.24Å; I94-K96 PolarHBondContact O-N 2.93Å; I94-K97 PolarHBondContact O-N 3.19Å; I94-K97 VanDerWaalsContact O-N 3.08Å; I94-L98 HydrophobicContact CG2-CD1 3.62Å; I94-L98 HydrophobicContact CG2-CG 4.02Å; I94-L98 WeakPolarHBondContact O-CB 3.13Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 2.94Å
95	E	83.5	Confident	81.8	Confident	30 Å²	30	64 Å²	64	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-53.2	-44.1	175.8	-75.9	178.2	177.6	0	0	111.4	L77 F79 Q91 S99	L77-E95 WeakPolarHBondContact O-CB 3.27Å; F79-E95 HydrophobicContact CD2-CG 3.52Å; F79-E95 HydrophobicContact CE2-CG 3.9Å; F79-E95 HydrophobicContact CG-CG 4.49Å; F79-E95 PolarHBondContact N-OE1 3.36Å; Q91-E95 HydrophobicContact CG-CG 4.46Å; Q91-E95 PolarHBondContact NE2-OE1 3.2Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 2.72Å; E95-S99 VanDerWaalsContact O-CB 3.22Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 3.27Å; E95-S99 PolarHBondContact O-OG 3.46Å
96	K	85.7	Confident	81.9	Confident	129 Å²	129	57.7 Å²	57.7	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-65.4	-41.7	178.1	-171.5	177.6	-178.2	179	0	112.5	A92 S93 I94 R100	A92-K96 WeakPolarHBondContact O-CB 3.48Å; A92-K96 PolarHBondContact O-N 3.45Å; A92-K96 VanDerWaalsContact O-N 3.09Å; S93-K96 PolarHBondContact O-N 2.89Å; I94-K96 PolarHBondContact O-N 2.93Å; K96-R100 WeakPolarHBondContact O-CG 3.46Å; K96-R100 PolarHBondContact O-N 2.83Å
97	K	85.7	Confident	82	Confident	66 Å²	66	61.2 Å²	61.2	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-47.7	176.6	-73.6	179.7	177.9	-175.2	0	111.1	Y16 F17 S93 I94 S99 R100 L101	Y16-K97 HydrophobicContact CE1-CD 4.12Å; Y16-K97 VanDerWaalsContact CE2-NZ 3.3Å; Y16-K97 PolarHBondContact OH-NZ 2.79Å; Y16-K97 VanDerWaalsContact OH-NZ 3.15Å; F17-K97 HydrophobicContact CZ-CB 4.21Å; S93-K97 WeakPolarHBondContact O-CG 3.14Å; S93-K97 PolarHBondContact O-N 3.2Å; S93-K97 VanDerWaalsContact O-N 3.07Å; I94-K97 PolarHBondContact O-N 3.19Å; I94-K97 VanDerWaalsContact O-N 3.08Å; K97-S99 VanDerWaalsContact C-N 3.35Å; K97-S99 PolarHBondContact O-N 2.83Å; K97-R100 WeakPolarHBondContact O-CB 3.41Å; K97-R100 PolarHBondContact O-N 3.44Å; K97-L101 PolarHBondContact O-N 3.26Å
98	L	82.1	Confident	81.6	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-36.9	178.9	-69.3	178.2	0	0	0	112.4	F17 L77 F79 I94 R100 L101 L102 F131 Y135	F17-L98 HydrophobicContact CE1-CD2 3.96Å; F17-L98 HydrophobicContact CE1-CG 4.32Å; F17-L98 HydrophobicContact CE2-CD2 4.35Å; F17-L98 HydrophobicContact CZ-CD2 3.83Å; F17-L98 HydrophobicContact CZ-CG 4.37Å; L77-L98 HydrophobicContact CB-CB 4.5Å; L77-L98 HydrophobicContact CD1-CB 4.16Å; L77-L98 HydrophobicContact CD1-CD1 4.43Å; L77-L98 HydrophobicContact CD2-CB 4.13Å; L77-L98 HydrophobicContact CD2-CD1 3.91Å; F79-L98 HydrophobicContact CE2-CD1 4.35Å; F79-L98 HydrophobicContact CZ-CD1 3.77Å; I94-L98 HydrophobicContact CG2-CD1 3.62Å; I94-L98 HydrophobicContact CG2-CG 4.02Å; I94-L98 WeakPolarHBondContact O-CB 3.13Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 2.94Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 2.82Å; L98-L101 HydrophobicContact CD2-CD2 4.49Å; L98-L101 PolarHBondContact O-N 2.84Å; L98-L102 VanDerWaalsContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 PolarHBondContact O-N 2.96Å; L98-F131 HydrophobicContact CD2-CZ 4.39Å; L98-Y135 HydrophobicContact CD2-CD2 4.48Å; L98-Y135 HydrophobicContact CD2-CE2 3.79Å
99	S	83.2	Confident	80.9	Confident	16 Å²	16	56 Å²	56	11%	0.112	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-41	173.9	-61.7	0	0	0	0	111.6	L77 E95 K97 L103	L77-S99 PolarHBondContact N-OG 3.19Å; E95-S99 VanDerWaalsContact O-CB 3.22Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 3.27Å; E95-S99 PolarHBondContact O-OG 3.46Å; K97-S99 VanDerWaalsContact C-N 3.35Å; K97-S99 PolarHBondContact O-N 2.83Å; S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 PolarHBondContact O-N 3.34Å
100	R	83.3	Confident	80	Confident	145 Å²	145	50.8 Å²	50.8	55%	0.547	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-42.5	175.7	-71.2	173.6	176	-173.7	-5	112	I12 K96 K97 L98 L103 S104	I12-R100 HydrophobicContact CD1-CB 4.08Å; K96-R100 WeakPolarHBondContact O-CG 3.46Å; K96-R100 PolarHBondContact O-N 2.83Å; K97-R100 WeakPolarHBondContact O-CB 3.41Å; K97-R100 PolarHBondContact O-N 3.44Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 2.82Å; R100-L103 PolarHBondContact O-N 3.08Å; R100-S104 WeakPolarHBondContact O-CB 3.44Å; R100-S104 PolarHBondContact O-N 3.44Å; R100-S104 PolarHBondContact O-OG 2.9Å
101	L	81	Confident	78.7	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-47.5	176.8	-173.2	65	0	0	0	110.7	I12 L14 K97 L98 L103 S104 A105 F131	I12-L101 HydrophobicContact CB-CD1 4.01Å; I12-L101 HydrophobicContact CD1-CB 3.68Å; I12-L101 HydrophobicContact CD1-CD1 4.02Å; I12-L101 HydrophobicContact CD1-CG 4.43Å; I12-L101 HydrophobicContact CG2-CD1 4.16Å; L14-L101 HydrophobicContact CD2-CD1 4.45Å; L14-L101 HydrophobicContact CD2-CD2 3.92Å; K97-L101 PolarHBondContact O-N 3.26Å; L98-L101 HydrophobicContact CD2-CD2 4.49Å; L98-L101 PolarHBondContact O-N 2.84Å; L101-L103 PolarHBondContact O-N 3.17Å; L101-S104 WeakPolarHBondContact CA-OG 3.33Å; L101-S104 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-OG 3.03Å; L101-A105 WeakPolarHBondContact O-CB 3.26Å; L101-A105 PolarHBondContact O-N 3.36Å; L101-F131 HydrophobicContact CB-CE2 4.15Å; L101-F131 HydrophobicContact CD2-CD2 4.47Å; L101-F131 HydrophobicContact CD2-CE2 3.63Å; L101-F131 HydrophobicContact CD2-CZ 4.41Å; L101-F131 HydrophobicContact CG-CD2 4.45Å; L101-F131 HydrophobicContact CG-CE2 3.72Å
102	L	82.5	Confident	77.4	Confident	22 Å²	22	57.6 Å²	57.6	12%	0.115	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-49.1	176	-179.7	62.5	0	0	0	110.7	A75 L98 S104 A105 I106 F128 F131	A75-L102 HydrophobicContact CB-CB 4.43Å; A75-L102 HydrophobicContact CB-CD2 4.09Å; A75-L102 HydrophobicContact CB-CG 4.11Å; L98-L102 VanDerWaalsContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 PolarHBondContact O-N 2.96Å; L102-S104 PolarHBondContact O-N 3.02Å; L102-A105 PolarHBondContact O-N 3.5Å; L102-I106 HydrophobicContact CD1-CG2 4.07Å; L102-I106 WeakPolarHBondContact O-CG1 3.33Å; L102-I106 WeakPolarHBondContact O-CG2 3.45Å; L102-I106 PolarHBondContact O-N 2.97Å; L102-F128 HydrophobicContact CD1-CD2 4.42Å; L102-F128 HydrophobicContact CD1-CE2 4.2Å; L102-F131 HydrophobicContact CB-CE2 4.39Å; L102-F131 HydrophobicContact CB-CZ 4.23Å; L102-F131 HydrophobicContact CD1-CD1 4.16Å; L102-F131 HydrophobicContact CD1-CE1 4.32Å; L102-F131 HydrophobicContact CD1-CG 4.3Å
103	L	82.6	Confident	75.3	Confident	43 Å²	43	58.5 Å²	58.5	23%	0.225	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-49.8	176.1	-176.5	59.7	0	0	0	111.3	L73 A75 S99 R100 L101 A105 I106 E107	L73-L103 HydrophobicContact CB-CD1 4.07Å; L73-L103 HydrophobicContact CD2-CD1 4.01Å; L73-L103 HydrophobicContact CG-CD1 3.8Å; L73-L103 WeakPolarHBondContact O-CD1 3.44Å; A75-L103 HydrophobicContact CB-CB 3.91Å; A75-L103 HydrophobicContact CB-CD1 4.28Å; S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 PolarHBondContact O-N 3.34Å; R100-L103 PolarHBondContact O-N 3.08Å; L101-L103 PolarHBondContact O-N 3.17Å; L103-A105 PolarHBondContact O-N 3.23Å; L103-I106 HydrophobicContact CD1-CG1 4.48Å; L103-I106 WeakPolarHBondContact O-CG1 3.21Å; L103-I106 PolarHBondContact O-N 2.87Å; L103-E107 HydrophobicContact CD1-CB 4.49Å; L103-E107 WeakPolarHBondContact O-CB 3.44Å; L103-E107 PolarHBondContact O-N 3.19Å
104	S	80.8	Confident	72.9	Confident	53 Å²	53	58.6 Å²	58.6	37%	0.371	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-27.2	-179.6	68.8	0	0	0	0	113.7	R100 L101 L102 P108	R100-S104 WeakPolarHBondContact O-CB 3.44Å; R100-S104 PolarHBondContact O-N 3.44Å; R100-S104 PolarHBondContact O-OG 2.9Å; L101-S104 WeakPolarHBondContact CA-OG 3.33Å; L101-S104 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-OG 3.03Å; L102-S104 PolarHBondContact O-N 3.02Å; S104-P108 WeakPolarHBondContact O-CD 3.45Å; S104-P108 WeakPolarHBondContact O-CG 3.25Å
105	A	76.4	Confident	70.3	Confident	38 Å²	38	63.9 Å²	63.9	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-79.3	-36.3	177.2	0	0	0	0	0	112.3	L101 L102 L103	L101-A105 WeakPolarHBondContact O-CB 3.26Å; L101-A105 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 3.5Å; L103-A105 PolarHBondContact O-N 3.23Å
106	I	76.2	Confident	67.7	Low	11 Å²	11	69.7 Å²	69.7	6%	0.056	38%	0.381	C	S	.	.	H	α-helix	trans	-89.3	-32.6	-176.7	68.4	178.7	0	0	0	112.6	L73 A75 L102 L103 P108 S109 V110 F123	L73-I106 HydrophobicContact CD2-CD1 3.69Å; L73-I106 HydrophobicContact CD2-CG1 3.69Å; L73-I106 HydrophobicContact CG-CD1 4.21Å; A75-I106 HydrophobicContact CB-CD1 4.04Å; L102-I106 HydrophobicContact CD1-CG2 4.07Å; L102-I106 WeakPolarHBondContact O-CG1 3.33Å; L102-I106 WeakPolarHBondContact O-CG2 3.45Å; L102-I106 PolarHBondContact O-N 2.97Å; L103-I106 HydrophobicContact CD1-CG1 4.48Å; L103-I106 WeakPolarHBondContact O-CG1 3.21Å; L103-I106 PolarHBondContact O-N 2.87Å; I106-P108 VanDerWaalsContact C-CD 3.47Å; I106-S109 WeakPolarHBondContact O-CA 3.39Å; I106-S109 WeakPolarHBondContact O-CB 3.43Å; I106-S109 PolarHBondContact O-N 2.98Å; I106-V110 WeakPolarHBondContact O-CG2 3.49Å; I106-V110 PolarHBondContact O-N 2.78Å; I106-F123 HydrophobicContact CB-CE1 4.02Å; I106-F123 HydrophobicContact CD1-CE1 4.39Å; I106-F123 HydrophobicContact CG2-CE1 3.84Å
107	E	75.7	Confident	65.1	Low	114 Å²	114	72.3 Å²	72.3	53%	0.533	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-41.2	-175.3	-176.1	173.8	-149.3	0	0	113.1	L103 S109 V110	L103-E107 HydrophobicContact CD1-CB 4.49Å; L103-E107 WeakPolarHBondContact O-CB 3.44Å; L103-E107 PolarHBondContact O-N 3.19Å; E107-S109 VanDerWaalsContact C-N 3.26Å; E107-S109 PolarHBondContact O-N 3.08Å; E107-V110 PolarHBondContact O-N 3.02Å
108	P	71.6	Confident	62.3	Low	107 Å²	107	75.4 Å²	75.4	70%	0.695	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.4	174.8	-19.7	32.6	0	0	0	113.9	S104 I106	S104-P108 WeakPolarHBondContact O-CD 3.45Å; S104-P108 WeakPolarHBondContact O-CG 3.25Å; I106-P108 VanDerWaalsContact C-CD 3.47Å
109	S	68.3	Low	60	Low	39 Å²	39	80.2 Å²	80.2	27%	0.273	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-21.1	-178.3	-53.9	0	0	0	0	112.1	I106 E107 M111 S127	I106-S109 WeakPolarHBondContact O-CA 3.39Å; I106-S109 WeakPolarHBondContact O-CB 3.43Å; I106-S109 PolarHBondContact O-N 2.98Å; E107-S109 VanDerWaalsContact C-N 3.26Å; E107-S109 PolarHBondContact O-N 3.08Å; S109-M111 PolarHBondContact O-N 2.86Å; S109-S127 PolarHBondContact OG-OG 3.22Å
110	V	63.8	Low	57.4	Low	12 Å²	12	85.3 Å²	85.3	7%	0.073	46%	0.458	C	S	.	.			trans	-90.2	103.2	-179.9	179.2	0	0	0	0	109.4	L73 I106 E107 L112 I121	L73-V110 HydrophobicContact CD2-CB 4.13Å; L73-V110 HydrophobicContact CD2-CG1 4.43Å; L73-V110 HydrophobicContact CD2-CG2 3.87Å; I106-V110 WeakPolarHBondContact O-CG2 3.49Å; I106-V110 PolarHBondContact O-N 2.78Å; E107-V110 PolarHBondContact O-N 3.02Å; V110-L112 HydrophobicContact CG1-CD2 4.15Å; V110-L112 HydrophobicContact CG1-CG 4.13Å; V110-L112 PolarHBondContact O-N 3.25Å; V110-I121 HydrophobicContact CG1-CG2 4.11Å; V110-I121 HydrophobicContact CG2-CG2 3.97Å
111	M	56.5	Low	55.2	Low	150 Å²	150	81.2 Å²	81.2	74%	0.739	45%	0.447	S	S	*	.			trans	-74.2	96.5	167.7	-118.2	-170.2	172.3	0	0	109.1	S109 V113	S109-M111 PolarHBondContact O-N 2.86Å; M111-V113 HydrophobicContact CB-CG2 3.76Å; M111-V113 HydrophobicContact CE-CG2 4.23Å; M111-V113 HydrophobicContact CG-CG2 3.59Å; M111-V113 PolarHBondContact O-N 3.44Å; M111-V113 HydrophobicContact SD-CG2 3.6Å; M111-V113 VanDerWaalsContact SD-CG2 3.6Å
112	L	54.1	Low	52.8	Low	75 Å²	75	85.4 Å²	85.4	39%	0.393	47%	0.469	S	S	.	.			trans	-72	66.4	166.7	-68.6	168.9	0	0	0	109.3	S71 V110	S71-L112 WeakPolarHBondContact O-CD1 3.46Å; V110-L112 HydrophobicContact CG1-CD2 4.15Å; V110-L112 HydrophobicContact CG1-CG 4.13Å; V110-L112 PolarHBondContact O-N 3.25Å
113	V	40.3	Very low	50.6	Low	72 Å²	72	88.2 Å²	88.2	44%	0.436	48%	0.48	S	S	.	.			trans	-90.7	113.8	179.7	178.8	0	0	0	0	108.1	M111 L115	M111-V113 HydrophobicContact CB-CG2 3.76Å; M111-V113 HydrophobicContact CE-CG2 4.23Å; M111-V113 HydrophobicContact CG-CG2 3.59Å; M111-V113 PolarHBondContact O-N 3.44Å; M111-V113 HydrophobicContact SD-CG2 3.6Å; M111-V113 VanDerWaalsContact SD-CG2 3.6Å; V113-L115 VanDerWaalsContact C-N 3.31Å; V113-L115 HydrophobicContact CG1-CG 4.49Å; V113-L115 PolarHBondContact O-N 3Å
114	G	35.8	Very low	48.3	Very low	59 Å²	59	90.8 Å²	90.8	61%	0.608	49%	0.494	S	S	*	.			trans	-65.9	86.5	174.4	0	0	0	0	0	111.4
115	L	27.7	Very low	45.9	Very low	131 Å²	131	90.2 Å²	90.2	69%	0.686	50%	0.497	S	S	*	.			trans	-94.9	100.1	158.4	-78.5	164.8	0	0	0	106.8	V113 Q117 N118	V113-L115 VanDerWaalsContact C-N 3.31Å; V113-L115 HydrophobicContact CG1-CG 4.49Å; V113-L115 PolarHBondContact O-N 3Å; L115-Q117 PolarHBondContact O-N 3.16Å; L115-N118 PolarHBondContact O-N 3.01Å
116	N	29.2	Very low	43.8	Very low	152 Å²	152	91.5 Å²	91.5	81%	0.813	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	17.5	92.8	166.4	-69.3	-32.5	0	0	0	114.9	N118	N116-N118 VanDerWaalsContact C-N 3.27Å; N116-N118 PolarHBondContact O-N 2.94Å; N116-N118 VanDerWaalsContact O-N 3.12Å
117	Q	31.1	Very low	42	Very low	184 Å²	184	92.3 Å²	92.3	86%	0.86	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	-0.7	167.1	-61.6	-179.3	-33.4	0	0	118.2	L115	L115-Q117 PolarHBondContact O-N 3.16Å
118	N	27.3	Very low	40.5	Very low	130 Å²	130	88.7 Å²	88.7	70%	0.695	49%	0.493	S	S	*	.			trans	-133.4	113.6	173.5	-66.6	-58.9	0	0	0	110.8	L115 N116	L115-N118 PolarHBondContact O-N 3.01Å; N116-N118 VanDerWaalsContact C-N 3.27Å; N116-N118 PolarHBondContact O-N 2.94Å; N116-N118 VanDerWaalsContact O-N 3.12Å
119	Y	33.6	Very low	38.8	Very low	105 Å²	105	86.7 Å²	86.7	41%	0.412	47%	0.473	S	S	.	.			trans	-88.7	123.6	176.8	-62	-87.3	0	0	0	109.5	P64	P64-Y119 HydrophobicContact CB-CD2 3.52Å; P64-Y119 HydrophobicContact CB-CE2 4.27Å; P64-Y119 HydrophobicContact CB-CG 4.32Å; P64-Y119 HydrophobicContact CG-CD2 3.85Å
120	L	28.4	Very low	37.4	Very low	123 Å²	123	90.9 Å²	90.9	64%	0.644	49%	0.488	S	S	*	.			trans	-98.2	110.7	176.4	-159.3	83.4	0	0	0	108.6	L122	L120-L122 HydrophobicContact CD2-CD1 3.69Å; L120-L122 HydrophobicContact CD2-CD2 3.91Å; L120-L122 HydrophobicContact CD2-CG 3.6Å; L120-L122 HydrophobicContact CG-CG 4.16Å; L120-L122 PolarHBondContact O-N 3.12Å
121	I	36.7	Very low	36.5	Very low	59 Å²	59	91.8 Å²	91.8	30%	0.303	49%	0.491	S	S	.	.			trans	-83.6	94	171.2	-57.8	174.6	0	0	0	107.2	V61 V110 F123	V61-I121 HydrophobicContact CG1-CD1 3.78Å; V110-I121 HydrophobicContact CG1-CG2 4.11Å; V110-I121 HydrophobicContact CG2-CG2 3.97Å; I121-F123 HydrophobicContact CG2-CD2 3.82Å; I121-F123 HydrophobicContact CG2-CE2 3.44Å; I121-F123 VanDerWaalsContact CG2-CE2 3.44Å; I121-F123 HydrophobicContact CG2-CZ 4.1Å; I121-F123 PolarHBondContact O-N 2.89Å
122	L	30.4	Very low	36	Very low	114 Å²	114	85.1 Å²	85.1	60%	0.597	46%	0.458	S	S	*	.			trans	-84.4	109.3	170.3	-75.5	164	0	0	0	108.6	L120	L120-L122 HydrophobicContact CD2-CD1 3.69Å; L120-L122 HydrophobicContact CD2-CD2 3.91Å; L120-L122 HydrophobicContact CD2-CG 3.6Å; L120-L122 HydrophobicContact CG-CG 4.16Å; L120-L122 PolarHBondContact O-N 3.12Å
123	F	36.3	Very low	35.1	Very low	81 Å²	81	84.5 Å²	84.5	36%	0.355	46%	0.458	S	S	.	.			trans	-81.7	121.3	162.3	-76.2	-86.7	0	0	0	108.1	V61 I106 I121 G125	V61-F123 HydrophobicContact CG2-CE2 4.32Å; I106-F123 HydrophobicContact CB-CE1 4.02Å; I106-F123 HydrophobicContact CD1-CE1 4.39Å; I106-F123 HydrophobicContact CG2-CE1 3.84Å; I121-F123 HydrophobicContact CG2-CD2 3.82Å; I121-F123 HydrophobicContact CG2-CE2 3.44Å; I121-F123 VanDerWaalsContact CG2-CE2 3.44Å; I121-F123 HydrophobicContact CG2-CZ 4.1Å; I121-F123 PolarHBondContact O-N 2.89Å; F123-G125 PolarHBondContact O-N 3.41Å
124	D	33.6	Very low	35	Very low	98 Å²	98	84.9 Å²	84.9	52%	0.524	46%	0.457	S	S	.	.			trans	-66.5	112.9	153	-171.9	-12.1	0	0	0	106.7	S126 S127	D124-S126 PolarHBondContact O-N 3.09Å; D124-S126 PolarHBondContact OD1-N 3.26Å; D124-S126 PolarHBondContact OD1-OG 2.98Å; D124-S126 PolarHBondContact OD2-OG 3.07Å; D124-S127 PolarHBondContact O-N 3.24Å; D124-S127 VanDerWaalsContact O-N 3.11Å
125	G	31.1	Very low	35.4	Very low	41 Å²	41	84.3 Å²	84.3	42%	0.423	44%	0.437	S	S	.	.	H	α-helix	trans	-52.9	-23.5	-177.1	0	0	0	0	0	112.9	F123 S127 F129	F123-G125 PolarHBondContact O-N 3.41Å; G125-S127 PolarHBondContact O-N 3.02Å; G125-F129 WeakPolarHBondContact O-CB 3.22Å; G125-F129 WeakPolarHBondContact O-CD2 3.45Å; G125-F129 PolarHBondContact O-N 3.39Å
126	S	32.4	Very low	35.7	Very low	65 Å²	65	78.7 Å²	78.7	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-38.8	178.2	57.3	0	0	0	0	114	D124 H130	D124-S126 PolarHBondContact O-N 3.09Å; D124-S126 PolarHBondContact OD1-N 3.26Å; D124-S126 PolarHBondContact OD1-OG 2.98Å; D124-S126 PolarHBondContact OD2-OG 3.07Å; S126-H130 WeakPolarHBondContact O-CB 3.38Å; S126-H130 PolarHBondContact O-N 3.34Å
127	S	39.2	Very low	35.9	Very low	28 Å²	28	79.5 Å²	79.5	20%	0.196	41%	0.405	C	S	.	.	H	α-helix	trans	-72.4	-39.4	-171.9	-50	0	0	0	0	112	S109 D124 G125 H130 F131	S109-S127 PolarHBondContact OG-OG 3.22Å; D124-S127 PolarHBondContact O-N 3.24Å; D124-S127 VanDerWaalsContact O-N 3.11Å; G125-S127 PolarHBondContact O-N 3.02Å; S127-H130 PolarHBondContact O-N 3.04Å; S127-F131 PolarHBondContact O-N 2.96Å
128	F	43	Very low	36.2	Very low	38 Å²	38	74 Å²	74	17%	0.167	38%	0.379	C	S	.	.	H	α-helix	trans	-71.6	-41.9	177.8	-167.8	-100	0	0	0	111.7	I50 C59 L102 H130 F131 I132	I50-F128 HydrophobicContact CD1-CD1 4.3Å; I50-F128 HydrophobicContact CD1-CE1 4.16Å; C59-F128 HydrophobicContact CB-CZ 4.45Å; C59-F128 WeakPolarHBondContact SG-CZ 3.36Å; L102-F128 HydrophobicContact CD1-CD2 4.42Å; L102-F128 HydrophobicContact CD1-CE2 4.2Å; F128-H130 VanDerWaalsContact C-N 3.33Å; F128-H130 PolarHBondContact O-N 2.87Å; F128-F131 PolarHBondContact O-N 2.77Å; F128-I132 HydrophobicContact CD1-CD1 4.11Å; F128-I132 HydrophobicContact CE1-CD1 3.35Å; F128-I132 HydrophobicContact CE1-CG1 4.2Å; F128-I132 HydrophobicContact CZ-CD1 3.73Å; F128-I132 HydrophobicContact CZ-CG1 4.35Å; F128-I132 PolarHBondContact O-N 2.89Å
129	F	36.4	Very low	36.7	Very low	64 Å²	64	72 Å²	72	28%	0.281	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-37.6	172.6	-93	-84.9	0	0	0	111.9	I34 F36 I50 G125 F131 I132 T133	I34-F129 HydrophobicContact CG2-CE1 3.98Å; F36-F129 HydrophobicContact CD2-CZ 4.36Å; I50-F129 HydrophobicContact CD1-CD1 4.37Å; I50-F129 HydrophobicContact CD1-CD2 4.47Å; I50-F129 HydrophobicContact CD1-CE1 3.83Å; I50-F129 HydrophobicContact CD1-CE2 3.95Å; I50-F129 HydrophobicContact CD1-CZ 3.61Å; I50-F129 HydrophobicContact CG1-CZ 4.44Å; G125-F129 WeakPolarHBondContact O-CB 3.22Å; G125-F129 WeakPolarHBondContact O-CD2 3.45Å; G125-F129 PolarHBondContact O-N 3.39Å; F129-F131 PolarHBondContact O-N 3.17Å; F129-I132 PolarHBondContact O-N 2.82Å; F129-T133 WeakPolarHBondContact O-CB 3.42Å; F129-T133 PolarHBondContact O-N 3.06Å; F129-T133 PolarHBondContact O-OG1 2.64Å
130	H	39.1	Very low	36.7	Very low	127 Å²	127	72 Å²	72	59%	0.588	37%	0.369	S	S	*	.	H	α-helix	trans	-62.5	-41.5	177.3	-130.8	78.4	0	0	0	112.1	S126 S127 F128 T133 L134	S126-H130 WeakPolarHBondContact O-CB 3.38Å; S126-H130 PolarHBondContact O-N 3.34Å; S127-H130 PolarHBondContact O-N 3.04Å; F128-H130 VanDerWaalsContact C-N 3.33Å; F128-H130 PolarHBondContact O-N 2.87Å; H130-T133 PolarHBondContact O-N 2.82Å; H130-L134 VanDerWaalsContact O-CB 3.29Å; H130-L134 WeakPolarHBondContact O-CB 3.29Å; H130-L134 PolarHBondContact O-N 3.33Å
131	F	45.2	Very low	37.1	Very low	32 Å²	32	69.5 Å²	69.5	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-47.1	177.7	-175.6	-90.7	0	0	0	112.2	L77 L98 L101 L102 S127 F128 F129 Y135	L77-F131 HydrophobicContact CD1-CE1 4.32Å; L98-F131 HydrophobicContact CD2-CZ 4.39Å; L101-F131 HydrophobicContact CB-CE2 4.15Å; L101-F131 HydrophobicContact CD2-CD2 4.47Å; L101-F131 HydrophobicContact CD2-CE2 3.63Å; L101-F131 HydrophobicContact CD2-CZ 4.41Å; L101-F131 HydrophobicContact CG-CD2 4.45Å; L101-F131 HydrophobicContact CG-CE2 3.72Å; L102-F131 HydrophobicContact CB-CE2 4.39Å; L102-F131 HydrophobicContact CB-CZ 4.23Å; L102-F131 HydrophobicContact CD1-CD1 4.16Å; L102-F131 HydrophobicContact CD1-CE1 4.32Å; L102-F131 HydrophobicContact CD1-CG 4.3Å; S127-F131 PolarHBondContact O-N 2.96Å; F128-F131 PolarHBondContact O-N 2.77Å; F129-F131 PolarHBondContact O-N 3.17Å; F131-Y135 PolarHBondContact O-N 3.06Å
132	I	44.4	Very low	37.2	Very low	9 Å²	9	70 Å²	70	5%	0.046	36%	0.359	C	S	.	.	H	α-helix	trans	-66.7	-40.7	177.3	-65.9	-173.5	0	0	0	111	I50 V52 V57 F128 F129 Y135 A136	I50-I132 HydrophobicContact CB-CD1 4.16Å; I50-I132 HydrophobicContact CD1-CD1 3.93Å; I50-I132 HydrophobicContact CG2-CD1 3.91Å; I50-I132 HydrophobicContact CG2-CG2 4.06Å; V52-I132 HydrophobicContact CG2-CG2 4.03Å; V57-I132 HydrophobicContact CB-CD1 4.11Å; V57-I132 HydrophobicContact CG1-CD1 4.22Å; V57-I132 HydrophobicContact CG2-CD1 4.06Å; F128-I132 HydrophobicContact CD1-CD1 4.11Å; F128-I132 HydrophobicContact CE1-CD1 3.35Å; F128-I132 HydrophobicContact CE1-CG1 4.2Å; F128-I132 HydrophobicContact CZ-CD1 3.73Å; F128-I132 HydrophobicContact CZ-CG1 4.35Å; F128-I132 PolarHBondContact O-N 2.89Å; F129-I132 PolarHBondContact O-N 2.82Å; I132-Y135 PolarHBondContact O-N 3.2Å; I132-A136 VanDerWaalsContact O-CB 3.27Å; I132-A136 WeakPolarHBondContact O-CB 3.39Å; I132-A136 PolarHBondContact O-N 2.81Å
133	T	35.5	Very low	37.5	Very low	62 Å²	62	67.6 Å²	67.6	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-71	-38.3	-177.4	-48.9	0	0	0	0	112	F129 H130 Y135 A136 K137	F129-T133 WeakPolarHBondContact O-CB 3.42Å; F129-T133 PolarHBondContact O-N 3.06Å; F129-T133 PolarHBondContact O-OG1 2.64Å; H130-T133 PolarHBondContact O-N 2.82Å; T133-Y135 VanDerWaalsContact C-N 3.33Å; T133-Y135 PolarHBondContact O-N 3.29Å; T133-A136 PolarHBondContact O-N 3.27Å; T133-K137 WeakPolarHBondContact O-CB 3.38Å; T133-K137 PolarHBondContact O-N 3.03Å
134	L	39.1	Very low	37.6	Very low	81 Å²	81	66.8 Å²	66.8	42%	0.424	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-45.8	173.1	-92.6	157.6	0	0	0	111.1	H130 E138	H130-L134 VanDerWaalsContact O-CB 3.29Å; H130-L134 WeakPolarHBondContact O-CB 3.29Å; H130-L134 PolarHBondContact O-N 3.33Å; L134-E138 PolarHBondContact O-N 2.87Å
135	Y	42.9	Very low	37.9	Very low	47 Å²	47	64.8 Å²	64.8	18%	0.184	33%	0.333	C	S	.	.	H	α-helix	trans	-71.8	-36.7	179.6	-138.9	-88.1	0	0	0	112.7	F17 L98 F131 I132 T133 K137 E138 Y139	F17-Y135 HydrophobicContact CB-CE2 4.4Å; F17-Y135 HydrophobicContact CD1-CE2 4.32Å; F17-Y135 HydrophobicContact CG-CE2 4.31Å; L98-Y135 HydrophobicContact CD2-CD2 4.48Å; L98-Y135 HydrophobicContact CD2-CE2 3.79Å; F131-Y135 PolarHBondContact O-N 3.06Å; I132-Y135 PolarHBondContact O-N 3.2Å; T133-Y135 VanDerWaalsContact C-N 3.33Å; T133-Y135 PolarHBondContact O-N 3.29Å; Y135-K137 PolarHBondContact O-N 3.28Å; Y135-E138 PolarHBondContact O-N 3.12Å; Y135-Y139 AromaticContact CD1-CD2 3.73Å; Y135-Y139 HydrophobicContact CD1-CD2 3.73Å; Y135-Y139 HydrophobicContact CD1-CE2 4.1Å; Y135-Y139 HydrophobicContact CD1-CG 4.42Å; Y135-Y139 AromaticContact CE1-CD2 3.48Å; Y135-Y139 HydrophobicContact CE1-CD2 3.48Å; Y135-Y139 VanDerWaalsContact CE1-CD2 3.48Å; Y135-Y139 AromaticContact CE1-CE2 3.48Å; Y135-Y139 HydrophobicContact CE1-CE2 3.48Å; Y135-Y139 VanDerWaalsContact CE1-CE2 3.48Å; Y135-Y139 HydrophobicContact CE1-CG 4.1Å; Y135-Y139 HydrophobicContact CE2-CE2 4.06Å; Y135-Y139 HydrophobicContact CG-CD2 4.4Å; Y135-Y139 AromaticContact CZ-CD2 3.97Å; Y135-Y139 AromaticContact CZ-CE2 3.46Å; Y135-Y139 VanDerWaalsContact CZ-CE2 3.46Å; Y135-Y139 AromaticContact CZ-CZ 3.94Å; Y135-Y139 PolarHBondContact O-N 3.17Å; Y135-Y139 PolarHBondContact OH-OH 3.24Å
136	A	34.2	Very low	38.3	Very low	12 Å²	12	66.4 Å²	66.4	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-35.5	177.8	0	0	0	0	0	113.3	V52 I55 I132 T133	V52-A136 HydrophobicContact CB-CB 4.48Å; V52-A136 HydrophobicContact CG1-CB 3.99Å; I55-A136 VanDerWaalsContact CD1-CA 3.46Å; I55-A136 HydrophobicContact CD1-CB 3.7Å; I132-A136 VanDerWaalsContact O-CB 3.27Å; I132-A136 WeakPolarHBondContact O-CB 3.39Å; I132-A136 PolarHBondContact O-N 2.81Å; T133-A136 PolarHBondContact O-N 3.27Å
137	K	33.6	Very low	38.7	Very low	169 Å²	169	66.5 Å²	66.5	74%	0.735	32%	0.318	S	S	*	.	H	α-helix	trans	-75.2	-27.5	-179.8	-137.1	177.6	-176.4	179.2	0	113.1	K25 T133 Y135	K25-K137 PolarHBondContact NZ-O 3.25Å; T133-K137 WeakPolarHBondContact O-CB 3.38Å; T133-K137 PolarHBondContact O-N 3.03Å; Y135-K137 PolarHBondContact O-N 3.28Å
138	E	38	Very low	38.7	Very low	68 Å²	68	69.5 Å²	69.5	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-92.3	-21.9	-174.1	-73.7	-175	163.6	0	0	113.7	L18 K25 L134 Y135	L18-E138 HydrophobicContact CD2-CB 4.32Å; L18-E138 HydrophobicContact CD2-CG 3.98Å; L18-E138 WeakPolarHBondContact CD2-OE1 3.31Å; L18-E138 WeakPolarHBondContact CD2-OE2 3.34Å; K25-E138 PolarHBondContact NZ-O 2.73Å; L134-E138 PolarHBondContact O-N 2.87Å; Y135-E138 PolarHBondContact O-N 3.12Å
139	Y	37.3	Very low	38.4	Very low	88 Å²	88	72.1 Å²	72.1	35%	0.345	34%	0.341	S	S	.	.	H	α-helix	trans	-104.9	-2	-178.4	-79	-94.8	0	0	0	116.8	F17 Y135	F17-Y139 HydrophobicContact CB-CE2 4.27Å; F17-Y139 VanDerWaalsContact O-CE2 3.25Å; F17-Y139 WeakPolarHBondContact O-CE2 3.27Å; F17-Y139 PolarHBondContact O-OH 3.08Å; Y135-Y139 AromaticContact CD1-CD2 3.73Å; Y135-Y139 HydrophobicContact CD1-CD2 3.73Å; Y135-Y139 HydrophobicContact CD1-CE2 4.1Å; Y135-Y139 HydrophobicContact CD1-CG 4.42Å; Y135-Y139 AromaticContact CE1-CD2 3.48Å; Y135-Y139 HydrophobicContact CE1-CD2 3.48Å; Y135-Y139 VanDerWaalsContact CE1-CD2 3.48Å; Y135-Y139 AromaticContact CE1-CE2 3.48Å; Y135-Y139 HydrophobicContact CE1-CE2 3.48Å; Y135-Y139 VanDerWaalsContact CE1-CE2 3.48Å; Y135-Y139 HydrophobicContact CE1-CG 4.1Å; Y135-Y139 HydrophobicContact CE2-CE2 4.06Å; Y135-Y139 HydrophobicContact CG-CD2 4.4Å; Y135-Y139 AromaticContact CZ-CD2 3.97Å; Y135-Y139 AromaticContact CZ-CE2 3.46Å; Y135-Y139 VanDerWaalsContact CZ-CE2 3.46Å; Y135-Y139 AromaticContact CZ-CZ 3.94Å; Y135-Y139 PolarHBondContact O-N 3.17Å; Y135-Y139 PolarHBondContact OH-OH 3.24Å
140	L	34.6	Very low	38.5	Very low	106 Å²	106	72.8 Å²	72.8	56%	0.555	35%	0.347	S	S	*	.			trans	-125.7	0	170.7	-82	169.4	0	0	0	113.4	K25	K25-L140 VanDerWaalsContact CD-C 3.41Å; K25-L140 WeakPolarHBondContact CD-O 3.06Å; K25-L140 WeakPolarHBondContact CD-OXT 2.94Å; K25-L140 WeakPolarHBondContact CE-O 3.38Å; K25-L140 WeakPolarHBondContact CE-OXT 3.49Å; K25-L140 WeakPolarHBondContact CG-O 3.41Å; K25-L140 VanDerWaalsContact NZ-N 3.11Å; K25-L140 PolarHBondContact NZ-O 2.89Å; K25-L140 PolarHBondContact NZ-OXT 3.43Å

Retrieved 140 of 140 residues in 80.6 ms (Link to these results)

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