A0A077Z8L7_TRITR Loading...

E3 ubiquitin-protein ligase listerin

E3 ubiquitin-protein ligase. Component of the ribosome quality control complex (RQC), a ribosome-associated complex that mediates ubiquitination and extraction of incompletely synthesized nascent chains for proteasomal degradation. Ubiquitination leads to vcp/p97 recruitment for extraction and degradation of the incomplete translation product.

AlphaFold DB , UniProt , Accession A0A077Z8L7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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	36.2	Very low	39.2	Very low	181 Å²	181	101.5 Å²	101.5	89%	0.892	58%	0.583	S	S	*	*				0	122.6	0	-107.5	176.1	-87.3	0	0	108.1
2	K	36.2	Very low	39.2	Very low	164 Å²	164	99.3 Å²	99.3	71%	0.713	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.8	132.4	174.5	-65.9	-177.5	175.1	-175.6	0	107.6	E19	K2-E19 WeakPolarHBondContact CE-OE1 3.27Å
3	T	37.8	Very low	40.3	Very low	53 Å²	53	96.9 Å²	96.9	33%	0.325	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.5	119.7	173.3	-60.5	0	0	0	0	108.5	I17	T3-I17 VanDerWaalsContact OG1-CD1 3.27Å; T3-I17 WeakPolarHBondContact OG1-CD1 3.3Å
4	L	45.4	Very low	41.3	Very low	142 Å²	142	102.3 Å²	102.3	74%	0.743	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.3	117.2	171.1	-153.9	93.5	0	0	0	107.6	A6	L4-A6 PolarHBondContact O-N 3.49Å
5	I	50	Low	42	Very low	19 Å²	19	104.1 Å²	104.1	10%	0.097	59%	0.591	C	S	.	*			trans	-86.9	95.7	171.9	-57.6	179.1	0	0	0	107.3	F7 V11 I20	I5-F7 HydrophobicContact CG2-CD1 4.28Å; I5-F7 HydrophobicContact CG2-CE1 3.82Å; I5-F7 HydrophobicContact CG2-CE2 4.13Å; I5-F7 HydrophobicContact CG2-CZ 3.73Å; I5-V11 HydrophobicContact CG2-CG2 4.36Å; I5-I20 HydrophobicContact CD1-CG2 3.54Å; I5-I20 HydrophobicContact CG1-CG2 4.37Å
6	A	44.3	Very low	43.5	Very low	74 Å²	74	100.6 Å²	100.6	61%	0.612	59%	0.585	S	S	*	*			trans	-85.8	120.3	166.1	0	0	0	0	0	108.7	L4 A8	L4-A6 PolarHBondContact O-N 3.49Å; A6-A8 VanDerWaalsContact C-N 3.3Å; A6-A8 PolarHBondContact O-N 3.19Å
7	F	45.4	Very low	45.2	Very low	76 Å²	76	95.4 Å²	95.4	33%	0.333	55%	0.554	S	S	.	*	S	Bend	trans	-78.1	74.3	-175.4	-66.9	-81.6	0	0	0	111.8	I5 V89 L90	I5-F7 HydrophobicContact CG2-CD1 4.28Å; I5-F7 HydrophobicContact CG2-CE1 3.82Å; I5-F7 HydrophobicContact CG2-CE2 4.13Å; I5-F7 HydrophobicContact CG2-CZ 3.73Å; F7-V89 HydrophobicContact CE1-CG1 4.44Å; F7-V89 HydrophobicContact CZ-CG1 3.7Å; F7-L90 HydrophobicContact CD1-CD2 3.44Å; F7-L90 VanDerWaalsContact CD1-CD2 3.44Å; F7-L90 HydrophobicContact CE1-CD2 3.34Å; F7-L90 HydrophobicContact CE1-CG 4.01Å
8	A	32.4	Very low	47.3	Very low	101 Å²	101	98.4 Å²	98.4	84%	0.835	56%	0.555	S	S	*	*	S	Bend	trans	-159	80.1	163	0	0	0	0	0	109.6	A6	A6-A8 VanDerWaalsContact C-N 3.3Å; A6-A8 PolarHBondContact O-N 3.19Å
9	G	33.1	Very low	49.3	Very low	63 Å²	63	95.6 Å²	95.6	65%	0.649	54%	0.537	S	S	*	.	S	Bend	trans	133.3	163.7	177	0	0	0	0	0	114.8	V11	G9-V11 PolarHBondContact O-N 2.82Å
10	Q	29.4	Very low	50.9	Low	193 Å²	193	91.1 Å²	91.1	90%	0.902	51%	0.511	S	S	*	.			trans	-50.5	129.2	-175.8	-165.6	176.7	4.4	0	0	112.5
11	V	40.7	Very low	52.4	Low	51 Å²	51	88.5 Å²	88.5	31%	0.309	50%	0.495	S	S	.	.			trans	-105.8	122.5	-178.2	-172.8	0	0	0	0	110.1	I5 G9 V86	I5-V11 HydrophobicContact CG2-CG2 4.36Å; G9-V11 PolarHBondContact O-N 2.82Å; V11-V86 HydrophobicContact CB-CB 4.49Å; V11-V86 HydrophobicContact CB-CG1 3.64Å; V11-V86 HydrophobicContact CB-CG2 4Å; V11-V86 HydrophobicContact CG1-CB 4.29Å; V11-V86 HydrophobicContact CG1-CG1 3.85Å; V11-V86 HydrophobicContact CG1-CG2 3.44Å; V11-V86 VanDerWaalsContact CG1-CG2 3.44Å; V11-V86 HydrophobicContact CG2-CG1 3.99Å
12	S	39.7	Very low	54.6	Low	75 Å²	75	79.9 Å²	79.9	52%	0.524	45%	0.453	S	S	.	.			trans	-120.5	131.8	170.2	-59.8	0	0	0	0	109.2
13	I	53.3	Low	56.6	Low	68 Å²	68	73.7 Å²	73.7	35%	0.349	43%	0.432	S	S	.	.			trans	-96.3	117.6	173.9	-60.4	172.1	0	0	0	107.4	I17 I20 L85 V86	I13-I17 HydrophobicContact CG2-CB 4.21Å; I13-I17 HydrophobicContact CG2-CD1 3.91Å; I13-I20 HydrophobicContact CD1-CD1 3.84Å; I13-L85 HydrophobicContact CD1-CB 3.83Å; I13-V86 HydrophobicContact CD1-CG2 3.65Å; I13-V86 HydrophobicContact CG1-CG2 3.84Å
14	Y	54.4	Low	58.4	Low	172 Å²	172	72 Å²	72	68%	0.675	42%	0.42	S	S	*	.			trans	-76.4	144.1	178.6	-65.5	-88.5	0	0	0	112.2	G16 I17	Y14-G16 PolarHBondContact O-N 2.91Å; Y14-G16 VanDerWaalsContact O-N 3.09Å; Y14-I17 HydrophobicContact CD2-CD1 4.34Å; Y14-I17 WeakPolarHBondContact O-CG1 3.48Å; Y14-I17 PolarHBondContact O-N 2.88Å
15	S	51.8	Low	60	Low	130 Å²	130	69.7 Å²	69.7	91%	0.909	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	109.2	172.2	56.1	0	0	0	0	109.7
16	G	66.7	Low	61.1	Low	47 Å²	47	72.8 Å²	72.8	49%	0.485	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	127.6	-10.9	-175.3	0	0	0	0	0	114.1	Y14 R18	Y14-G16 PolarHBondContact O-N 2.91Å; Y14-G16 VanDerWaalsContact O-N 3.09Å; G16-R18 PolarHBondContact O-N 3.05Å
17	I	71.5	Confident	62.7	Low	13 Å²	13	76.3 Å²	76.3	7%	0.067	43%	0.428	C	S	.	.			trans	-71	116.7	170.3	-62.5	173.9	0	0	0	108.6	T3 I13 Y14 E19 I20 I37	T3-I17 VanDerWaalsContact OG1-CD1 3.27Å; T3-I17 WeakPolarHBondContact OG1-CD1 3.3Å; I13-I17 HydrophobicContact CG2-CB 4.21Å; I13-I17 HydrophobicContact CG2-CD1 3.91Å; Y14-I17 HydrophobicContact CD2-CD1 4.34Å; Y14-I17 WeakPolarHBondContact O-CG1 3.48Å; Y14-I17 PolarHBondContact O-N 2.88Å; I17-E19 WeakPolarHBondContact CG2-O 3.44Å; I17-I20 HydrophobicContact CG2-CG1 4.16Å; I17-I37 HydrophobicContact CG2-CD1 4.48Å
18	R	83.7	Confident	63.9	Low	150 Å²	150	78.2 Å²	78.2	57%	0.566	44%	0.439	S	S	*	.			trans	-105	-3	175.5	-66.2	-174.8	177.3	-159.6	-9.8	112.8	G16 K36 I37 E39	G16-R18 PolarHBondContact O-N 3.05Å; R18-K36 WeakPolarHBondContact O-CA 3.48Å; R18-I37 PolarHBondContact O-N 2.82Å; R18-E39 IonicContact CZ-OE2 2.82Å; R18-E39 IonicContact NH1-OE2 3.5Å; R18-E39 IonicContact NH2-OE2 3.89Å; R18-E39 PolarHBondContact NH2-OE2 2.87Å
19	E	84.4	Confident	65.8	Low	45 Å²	45	73.6 Å²	73.6	21%	0.21	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	128.4	-178.1	-174.1	176.7	82.7	0	0	110.1	K2 I17 I21 V34 I35	K2-E19 WeakPolarHBondContact CE-OE1 3.27Å; I17-E19 WeakPolarHBondContact CG2-O 3.44Å; E19-I21 HydrophobicContact CG-CG1 4.23Å; E19-V34 HydrophobicContact CG-CG1 4.01Å; E19-I35 CarbonylContact C-O 3.49Å; E19-I35 VanDerWaalsContact CA-O 3.3Å; E19-I35 WeakPolarHBondContact CA-O 3.34Å
20	I	82.5	Confident	67.9	Low	4 Å²	4	75.7 Å²	75.7	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.8	170.2	-63	173.4	0	0	0	107.4	I5 I13 I17 I35 I37 L85	I5-I20 HydrophobicContact CD1-CG2 3.54Å; I5-I20 HydrophobicContact CG1-CG2 4.37Å; I13-I20 HydrophobicContact CD1-CD1 3.84Å; I17-I20 HydrophobicContact CG2-CG1 4.16Å; I20-I35 HydrophobicContact CB-CB 4.26Å; I20-I35 PolarHBondContact N-O 3.18Å; I20-I35 PolarHBondContact O-N 3.09Å; I20-I37 HydrophobicContact CD1-CD1 3.81Å; I20-I37 HydrophobicContact CG1-CD1 3.98Å; I20-L85 HydrophobicContact CD1-CB 3.94Å; I20-L85 HydrophobicContact CD1-CD1 3.67Å; I20-L85 HydrophobicContact CD1-CG 4.45Å
21	I	82.1	Confident	70.1	Confident	37 Å²	37	66.5 Å²	66.5	19%	0.19	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.9	171.9	-55.2	176.2	0	0	0	107.5	E19 E32 L33 V34	E19-I21 HydrophobicContact CG-CG1 4.23Å; I21-E32 HydrophobicContact CG2-CB 4.33Å; I21-L33 WeakPolarHBondContact CA-O 3.21Å; I21-V34 HydrophobicContact CG1-CG1 4.41Å; I21-V34 HydrophobicContact CG1-CG2 4.37Å; I21-V34 HydrophobicContact CG2-CG2 4.45Å
22	A	80.9	Confident	72	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.3	173.2	0	0	0	0	0	109.3	E32 L33 V89	A22-E32 CarbonylContact O-C 3.59Å; A22-E32 WeakPolarHBondContact O-CA 3.3Å; A22-L33 HydrophobicContact CB-CB 4.28Å; A22-L33 PolarHBondContact N-O 3.35Å; A22-L33 PolarHBondContact O-N 3.21Å; A22-V89 HydrophobicContact CB-CG1 3.36Å; A22-V89 HydrophobicContact CB-CG2 4.37Å
23	A	78.1	Confident	74.1	Confident	33 Å²	33	62 Å²	62	27%	0.273	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.9	178.4	0	0	0	0	0	110.4	L31 E32	A23-L31 CarbonylContact C-O 3.57Å; A23-L31 WeakPolarHBondContact CA-O 3.47Å; A23-E32 HydrophobicContact CB-CG 4.26Å
24	Y	77.1	Confident	75.6	Confident	18 Å²	18	59.6 Å²	59.6	7%	0.071	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.2	165.8	178	-93.8	0	0	0	108.7	K26 L29 R30 L31 K93 E97 L100	Y24-K26 HydrophobicContact CE1-CB 3.81Å; Y24-K26 VanDerWaalsContact OH-CD 3.24Å; Y24-K26 WeakPolarHBondContact OH-CD 3.31Å; Y24-L29 HydrophobicContact CD1-CD2 4.05Å; Y24-L29 HydrophobicContact CE1-CD2 3.77Å; Y24-R30 WeakPolarHBondContact O-CA 3.43Å; Y24-L31 PolarHBondContact N-O 2.7Å; Y24-L31 PolarHBondContact O-N 3.09Å; Y24-K93 HydrophobicContact CD2-CG 4.44Å; Y24-E97 HydrophobicContact CD2-CG 4.31Å; Y24-E97 HydrophobicContact CE2-CG 3.4Å; Y24-E97 WeakPolarHBondContact CE2-OE1 3.46Å; Y24-L100 HydrophobicContact CD1-CD1 4.18Å; Y24-L100 HydrophobicContact CE1-CD1 3.28Å
25	V	77.5	Confident	77.2	Confident	94 Å²	94	51.4 Å²	51.4	57%	0.57	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	125	-178.9	-175.6	0	0	0	0	108.9	L29 R30	V25-L29 WeakPolarHBondContact CA-O 3.49Å; V25-R30 HydrophobicContact CG2-CG 4.21Å
26	K	74.1	Confident	79	Confident	84 Å²	84	48.9 Å²	48.9	37%	0.365	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	120.7	174.2	-179.4	171.8	178.5	176.8	0	108.8	Y24 E28 L29	Y24-K26 HydrophobicContact CE1-CB 3.81Å; Y24-K26 VanDerWaalsContact OH-CD 3.24Å; Y24-K26 WeakPolarHBondContact OH-CD 3.31Å; K26-E28 PolarHBondContact O-N 2.81Å; K26-L29 HydrophobicContact CB-CD2 4.48Å; K26-L29 PolarHBondContact N-O 3.28Å; K26-L29 WeakPolarHBondContact O-CB 3.38Å; K26-L29 PolarHBondContact O-N 3.28Å
27	E	77	Confident	80	Confident	147 Å²	147	47.6 Å²	47.6	69%	0.687	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	-125.6	-174.5	-59.7	168	-161.6	0	0	110.6	L29 F57	E27-L29 VanDerWaalsContact C-N 3.32Å; E27-F57 HydrophobicContact CB-CE2 4.37Å; E27-F57 WeakPolarHBondContact OE2-CE2 3.4Å
28	E	72	Confident	80.9	Confident	117 Å²	117	49.1 Å²	49.1	55%	0.547	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.1	-180	-56.5	-177.8	157	0	0	114	K26 V55 G56	K26-E28 PolarHBondContact O-N 2.81Å; E28-V55 WeakPolarHBondContact CB-O 3.41Å; E28-V55 PolarHBondContact O-N 3.32Å; E28-G56 VanDerWaalsContact OE2-CA 3.24Å; E28-G56 WeakPolarHBondContact OE2-CA 3.39Å
29	L	71.9	Confident	81	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133	179.5	160.7	82.2	0	0	0	110.8	Y24 V25 K26 E27 V54 W62 L100	Y24-L29 HydrophobicContact CD1-CD2 4.05Å; Y24-L29 HydrophobicContact CE1-CD2 3.77Å; V25-L29 WeakPolarHBondContact CA-O 3.49Å; K26-L29 HydrophobicContact CB-CD2 4.48Å; K26-L29 PolarHBondContact N-O 3.28Å; K26-L29 WeakPolarHBondContact O-CB 3.38Å; K26-L29 PolarHBondContact O-N 3.28Å; E27-L29 VanDerWaalsContact C-N 3.32Å; L29-V54 HydrophobicContact CD1-CG2 3.9Å; L29-W62 HydrophobicContact CD1-CE3 4.07Å; L29-W62 HydrophobicContact CD1-CH2 3.25Å; L29-W62 HydrophobicContact CD1-CZ2 3.76Å; L29-W62 HydrophobicContact CD1-CZ3 3.34Å; L29-W62 HydrophobicContact CD2-CH2 3.18Å; L29-W62 HydrophobicContact CD2-CZ2 3.12Å; L29-W62 HydrophobicContact CD2-CZ3 4.19Å; L29-W62 HydrophobicContact CG-CH2 3.75Å; L29-W62 HydrophobicContact CG-CZ2 3.98Å; L29-W62 HydrophobicContact CG-CZ3 4.33Å; L29-L100 HydrophobicContact CD2-CD1 3.95Å
30	R	76.2	Confident	81.1	Confident	107 Å²	107	49.6 Å²	49.6	40%	0.404	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.7	166.7	-178.7	173.7	-176.4	153.6	-2.2	110.8	Y24 V25 E32 Q53	Y24-R30 WeakPolarHBondContact O-CA 3.43Å; V25-R30 HydrophobicContact CG2-CG 4.21Å; R30-E32 HydrophobicContact CG-CG 4.07Å; R30-E32 IonicContact CZ-OE1 2.79Å; R30-E32 IonicContact NE-OE1 2.69Å; R30-E32 PolarHBondContact NE-OE1 2.88Å; R30-E32 IonicContact NH2-OE1 3.12Å; R30-E32 PolarHBondContact NH2-OE1 3.22Å; R30-Q53 CarbonylContact C-O 3.59Å; R30-Q53 HydrophobicContact CB-CB 4.25Å; R30-Q53 PolarHBondContact N-O 2.8Å; R30-Q53 CarbonylContact O-C 3.57Å; R30-Q53 PolarHBondContact O-N 3.5Å
31	L	77.4	Confident	81.1	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.1	173.9	-178.7	72.2	0	0	0	107.9	A23 Y24 M50 W67 I71 W92 V96	A23-L31 CarbonylContact C-O 3.57Å; A23-L31 WeakPolarHBondContact CA-O 3.47Å; Y24-L31 PolarHBondContact N-O 2.7Å; Y24-L31 PolarHBondContact O-N 3.09Å; L31-M50 HydrophobicContact CD1-CG 3.5Å; L31-M50 HydrophobicContact CD1-SD 3.38Å; L31-M50 WeakPolarHBondContact CD1-SD 3.1Å; L31-M50 HydrophobicContact CD2-SD 4.09Å; L31-M50 HydrophobicContact CG-CG 4.32Å; L31-M50 HydrophobicContact CG-SD 3.5Å; L31-M50 VanDerWaalsContact CG-SD 3.5Å; L31-W67 HydrophobicContact CD1-CZ2 4.01Å; L31-W67 HydrophobicContact CD2-CH2 4.12Å; L31-W67 HydrophobicContact CD2-CZ2 3.94Å; L31-I71 HydrophobicContact CD2-CD1 4.41Å; L31-I71 HydrophobicContact CD2-CG2 4.36Å; L31-W92 HydrophobicContact CD2-CH2 3.63Å; L31-W92 HydrophobicContact CD2-CZ2 3.63Å; L31-W92 HydrophobicContact CG-CH2 4.11Å; L31-W92 HydrophobicContact CG-CZ2 4.35Å; L31-V96 HydrophobicContact CD2-CG1 3.97Å; L31-V96 HydrophobicContact CD2-CG2 4.47Å
32	E	80.1	Confident	81.2	Confident	30 Å²	30	56.5 Å²	56.5	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.3	175.4	-42.1	176.7	133.5	0	0	111.1	I21 A22 A23 R30 M50 T51	I21-E32 HydrophobicContact CG2-CB 4.33Å; A22-E32 CarbonylContact O-C 3.59Å; A22-E32 WeakPolarHBondContact O-CA 3.3Å; A23-E32 HydrophobicContact CB-CG 4.26Å; R30-E32 HydrophobicContact CG-CG 4.07Å; R30-E32 IonicContact CZ-OE1 2.79Å; R30-E32 IonicContact NE-OE1 2.69Å; R30-E32 PolarHBondContact NE-OE1 2.88Å; R30-E32 IonicContact NH2-OE1 3.12Å; R30-E32 PolarHBondContact NH2-OE1 3.22Å; E32-M50 VanDerWaalsContact C-SD 3.59Å; E32-M50 CarbonylContact O-C 3.58Å; E32-M50 WeakPolarHBondContact O-CA 3.37Å; E32-T51 WeakPolarHBondContact CB-OG1 3.22Å; E32-T51 WeakPolarHBondContact CG-OG1 3.38Å; E32-T51 PolarHBondContact N-O 3.09Å; E32-T51 VanDerWaalsContact N-O 3.14Å; E32-T51 PolarHBondContact O-N 3.37Å; E32-T51 PolarHBondContact OE2-OG1 3.41Å; E32-T51 VanDerWaalsContact OE2-OG1 3.07Å
33	L	83.3	Confident	81.4	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.6	170.4	171	64.3	0	0	0	108.1	I21 A22 I35 A48 M50 F75 W92	I21-L33 WeakPolarHBondContact CA-O 3.21Å; A22-L33 HydrophobicContact CB-CB 4.28Å; A22-L33 PolarHBondContact N-O 3.35Å; A22-L33 PolarHBondContact O-N 3.21Å; L33-I35 HydrophobicContact CD1-CG1 4.12Å; L33-I35 HydrophobicContact CD2-CD1 4Å; L33-I35 HydrophobicContact CD2-CG1 4.17Å; L33-I35 HydrophobicContact CG-CD1 4.18Å; L33-I35 HydrophobicContact CG-CG1 3.79Å; L33-A48 HydrophobicContact CD1-CB 3.91Å; L33-M50 HydrophobicContact CB-CE 3.61Å; L33-M50 HydrophobicContact CB-SD 4Å; L33-M50 HydrophobicContact CD1-CE 3.44Å; L33-M50 VanDerWaalsContact CD1-CE 3.44Å; L33-M50 HydrophobicContact CG-CE 4.01Å; L33-F75 HydrophobicContact CD1-CD1 4.3Å; L33-F75 HydrophobicContact CD1-CD2 4.12Å; L33-F75 HydrophobicContact CD1-CE1 4.49Å; L33-F75 HydrophobicContact CD1-CE2 4.3Å; L33-F75 HydrophobicContact CD1-CG 4.11Å; L33-F75 HydrophobicContact CD1-CZ 4.47Å; L33-F75 HydrophobicContact CD2-CD2 3.41Å; L33-F75 VanDerWaalsContact CD2-CD2 3.41Å; L33-F75 HydrophobicContact CD2-CE2 3.64Å; L33-F75 HydrophobicContact CD2-CG 4.13Å; L33-F75 HydrophobicContact CG-CD2 4.38Å; L33-F75 HydrophobicContact CG-CE2 4.44Å; L33-W92 HydrophobicContact CB-CH2 3.78Å; L33-W92 HydrophobicContact CB-CZ2 4.21Å; L33-W92 HydrophobicContact CB-CZ3 4Å; L33-W92 HydrophobicContact CD2-CD2 3.89Å; L33-W92 HydrophobicContact CD2-CE3 3.84Å; L33-W92 HydrophobicContact CD2-CG 4.47Å; L33-W92 HydrophobicContact CD2-CH2 4.33Å; L33-W92 HydrophobicContact CD2-CZ2 4.39Å; L33-W92 HydrophobicContact CD2-CZ3 4.06Å
34	V	84.9	Confident	81.9	Confident	17 Å²	17	64.9 Å²	64.9	10%	0.103	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.6	176.4	-176.4	0	0	0	0	108.2	E19 I21 A48 E49 T51	E19-V34 HydrophobicContact CG-CG1 4.01Å; I21-V34 HydrophobicContact CG1-CG1 4.41Å; I21-V34 HydrophobicContact CG1-CG2 4.37Å; I21-V34 HydrophobicContact CG2-CG2 4.45Å; V34-A48 CarbonylContact O-C 3.54Å; V34-A48 VanDerWaalsContact O-CA 3.31Å; V34-A48 WeakPolarHBondContact O-CA 3.27Å; V34-E49 HydrophobicContact CB-CB 4.46Å; V34-E49 PolarHBondContact N-O 3.35Å; V34-E49 PolarHBondContact O-N 3.29Å; V34-T51 HydrophobicContact CG2-CG2 4.5Å
35	I	88.4	Confident	82.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.3	179.2	-49.4	171.4	0	0	0	108	E19 I20 L33 L46 S47 F75 V89	E19-I35 CarbonylContact C-O 3.49Å; E19-I35 VanDerWaalsContact CA-O 3.3Å; E19-I35 WeakPolarHBondContact CA-O 3.34Å; I20-I35 HydrophobicContact CB-CB 4.26Å; I20-I35 PolarHBondContact N-O 3.18Å; I20-I35 PolarHBondContact O-N 3.09Å; L33-I35 HydrophobicContact CD1-CG1 4.12Å; L33-I35 HydrophobicContact CD2-CD1 4Å; L33-I35 HydrophobicContact CD2-CG1 4.17Å; L33-I35 HydrophobicContact CG-CD1 4.18Å; L33-I35 HydrophobicContact CG-CG1 3.79Å; I35-L46 HydrophobicContact CG2-CB 4.22Å; I35-L46 HydrophobicContact CG2-CD1 3.99Å; I35-L46 HydrophobicContact CG2-CD2 4.24Å; I35-L46 HydrophobicContact CG2-CG 4.39Å; I35-S47 CarbonylContact C-O 3.6Å; I35-S47 WeakPolarHBondContact CA-O 3.25Å; I35-F75 HydrophobicContact CD1-CE2 3.57Å; I35-F75 HydrophobicContact CD1-CZ 3.74Å; I35-F75 HydrophobicContact CG1-CE2 4.09Å; I35-F75 HydrophobicContact CG1-CZ 3.87Å; I35-F75 HydrophobicContact CG2-CZ 4.37Å; I35-V89 HydrophobicContact CD1-CG2 3.72Å
36	K	89.1	Confident	82.9	Confident	77 Å²	77	67 Å²	67	34%	0.335	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.4	172.3	-48.4	171.9	176.6	157.1	0	109	R18 S47 E49	R18-K36 WeakPolarHBondContact O-CA 3.48Å; K36-S47 VanDerWaalsContact CB-OG 3.31Å; K36-S47 WeakPolarHBondContact CB-OG 3.37Å; K36-S47 PolarHBondContact N-O 3.2Å; K36-S47 PolarHBondContact O-N 3.01Å; K36-E49 IonicContact NZ-OE1 2.66Å; K36-E49 PolarHBondContact NZ-OE1 3.47Å; K36-E49 IonicContact NZ-OE2 2.7Å; K36-E49 PolarHBondContact NZ-OE2 2.84Å
37	I	88.4	Confident	83.6	Confident	21 Å²	21	65.5 Å²	65.5	11%	0.108	35%	0.35	C	S	.	.			trans	-99.9	112.4	-178.1	-55.1	174	0	0	0	107.4	I17 R18 I20 Y41 L46 L85	I17-I37 HydrophobicContact CG2-CD1 4.48Å; R18-I37 PolarHBondContact O-N 2.82Å; I20-I37 HydrophobicContact CD1-CD1 3.81Å; I20-I37 HydrophobicContact CG1-CD1 3.98Å; I37-Y41 HydrophobicContact CG2-CD1 3.97Å; I37-Y41 HydrophobicContact CG2-CG 3.76Å; I37-L46 HydrophobicContact CB-CD2 4.26Å; I37-L46 HydrophobicContact CG1-CD2 4.01Å; I37-L46 HydrophobicContact CG2-CD2 4.26Å; I37-L85 HydrophobicContact CD1-CD1 3.54Å; I37-L85 HydrophobicContact CG1-CD1 3.94Å
38	P	89.7	Confident	84.1	Confident	44 Å²	44	59.7 Å²	59.7	29%	0.286	33%	0.327	S	S	.	.			trans	-70.2	157.6	175.6	32.6	-36.6	0	0	0	110.6	G40 Y41 A44 V45	P38-G40 PolarHBondContact O-N 2.8Å; P38-Y41 VanDerWaalsContact O-CB 3.3Å; P38-Y41 WeakPolarHBondContact O-CB 3.47Å; P38-Y41 PolarHBondContact O-N 3.47Å; P38-A44 HydrophobicContact CB-CB 3.95Å; P38-A44 HydrophobicContact CG-CB 3.48Å; P38-A44 VanDerWaalsContact CG-CB 3.48Å; P38-V45 WeakPolarHBondContact CG-O 3.31Å
39	E	86.4	Confident	84.7	Confident	164 Å²	164	59.1 Å²	59.1	77%	0.766	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.6	179.8	-167.5	163.4	156.1	0	0	113.1	R18 Y41	R18-E39 IonicContact CZ-OE2 2.82Å; R18-E39 IonicContact NH1-OE2 3.5Å; R18-E39 IonicContact NH2-OE2 3.89Å; R18-E39 PolarHBondContact NH2-OE2 2.87Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 2.79Å
40	G	85.5	Confident	85	Confident	42 Å²	42	62 Å²	62	43%	0.433	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	7.2	177	0	0	0	0	0	115.6	P38 L43 A44	P38-G40 PolarHBondContact O-N 2.8Å; G40-L43 CarbonylContact O-C 3.56Å; G40-L43 WeakPolarHBondContact O-CA 3.37Å; G40-L43 PolarHBondContact O-N 3.11Å; G40-A44 PolarHBondContact O-N 2.87Å
41	Y	83.3	Confident	84.6	Confident	81 Å²	81	59 Å²	59	32%	0.318	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	135.2	175.3	-177.2	-95.8	0	0	0	110	I37 P38 E39 L46 L85	I37-Y41 HydrophobicContact CG2-CD1 3.97Å; I37-Y41 HydrophobicContact CG2-CG 3.76Å; P38-Y41 VanDerWaalsContact O-CB 3.3Å; P38-Y41 WeakPolarHBondContact O-CB 3.47Å; P38-Y41 PolarHBondContact O-N 3.47Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 2.79Å; Y41-L46 HydrophobicContact CD2-CD2 3.37Å; Y41-L46 HydrophobicContact CD2-CG 3.86Å; Y41-L46 HydrophobicContact CE2-CD1 3.92Å; Y41-L46 HydrophobicContact CE2-CD2 3.59Å; Y41-L46 HydrophobicContact CE2-CG 3.75Å; Y41-L46 HydrophobicContact CG-CD2 4.14Å; Y41-L85 HydrophobicContact CE1-CD1 4.24Å; Y41-L85 HydrophobicContact CE1-CG 4.43Å; Y41-L85 HydrophobicContact CE2-CD2 4.33Å; Y41-L85 WeakPolarHBondContact OH-CD2 3.29Å
42	P	83.9	Confident	84.2	Confident	105 Å²	105	63.9 Å²	63.9	68%	0.682	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.8	-1.5	16.1	35.2	-37	0	0	0	116.6
43	L	85.8	Confident	83.2	Confident	174 Å²	174	67.6 Å²	67.6	91%	0.911	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-27.7	-179.4	-62.6	176.8	0	0	0	112.8	G40	G40-L43 CarbonylContact O-C 3.56Å; G40-L43 WeakPolarHBondContact O-CA 3.37Å; G40-L43 PolarHBondContact O-N 3.11Å
44	A	86.9	Confident	82.1	Confident	36 Å²	36	69.8 Å²	69.8	30%	0.298	38%	0.384	S	S	.	.	S	Bend	trans	-88	145.9	175.1	0	0	0	0	0	112.1	P38 G40	P38-A44 HydrophobicContact CB-CB 3.95Å; P38-A44 HydrophobicContact CG-CB 3.48Å; P38-A44 VanDerWaalsContact CG-CB 3.48Å; G40-A44 PolarHBondContact O-N 2.87Å
45	V	86.8	Confident	80.6	Confident	135 Å²	135	74.1 Å²	74.1	82%	0.818	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-72.1	128.4	-176.8	-179.3	0	0	0	0	110.6	P38	P38-V45 WeakPolarHBondContact CG-O 3.31Å
46	L	90	Very high	78.7	Confident	20 Å²	20	76.9 Å²	76.9	11%	0.105	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-64.2	142.4	169.4	-60	173.2	0	0	0	110.4	I35 I37 Y41 L79 L85	I35-L46 HydrophobicContact CG2-CB 4.22Å; I35-L46 HydrophobicContact CG2-CD1 3.99Å; I35-L46 HydrophobicContact CG2-CD2 4.24Å; I35-L46 HydrophobicContact CG2-CG 4.39Å; I37-L46 HydrophobicContact CB-CD2 4.26Å; I37-L46 HydrophobicContact CG1-CD2 4.01Å; I37-L46 HydrophobicContact CG2-CD2 4.26Å; Y41-L46 HydrophobicContact CD2-CD2 3.37Å; Y41-L46 HydrophobicContact CD2-CG 3.86Å; Y41-L46 HydrophobicContact CE2-CD1 3.92Å; Y41-L46 HydrophobicContact CE2-CD2 3.59Å; Y41-L46 HydrophobicContact CE2-CG 3.75Å; Y41-L46 HydrophobicContact CG-CD2 4.14Å; L46-L79 HydrophobicContact CD1-CD1 3.75Å; L46-L79 HydrophobicContact CD1-CD2 3.83Å; L46-L79 HydrophobicContact CD1-CG 4.48Å; L46-L85 HydrophobicContact CD1-CD2 3.36Å
47	S	88.4	Confident	76.9	Confident	54 Å²	54	75.5 Å²	75.5	38%	0.378	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.9	162.6	68.9	0	0	0	0	109.5	I35 K36	I35-S47 CarbonylContact C-O 3.6Å; I35-S47 WeakPolarHBondContact CA-O 3.25Å; K36-S47 VanDerWaalsContact CB-OG 3.31Å; K36-S47 WeakPolarHBondContact CB-OG 3.37Å; K36-S47 PolarHBondContact N-O 3.2Å; K36-S47 PolarHBondContact O-N 3.01Å
48	A	86.9	Confident	75.2	Confident	25 Å²	25	84.4 Å²	84.4	21%	0.207	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.3	175.6	0	0	0	0	0	110.8	L33 V34 F75	L33-A48 HydrophobicContact CD1-CB 3.91Å; V34-A48 CarbonylContact O-C 3.54Å; V34-A48 VanDerWaalsContact O-CA 3.31Å; V34-A48 WeakPolarHBondContact O-CA 3.27Å; A48-F75 HydrophobicContact CB-CD1 3.76Å; A48-F75 HydrophobicContact CB-CE1 3.27Å; A48-F75 HydrophobicContact CB-CZ 3.99Å
49	E	84.7	Confident	73.5	Confident	104 Å²	104	89 Å²	89	49%	0.486	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139	175.1	-71.2	166.1	-151.4	0	0	108.3	V34 K36	V34-E49 HydrophobicContact CB-CB 4.46Å; V34-E49 PolarHBondContact N-O 3.35Å; V34-E49 PolarHBondContact O-N 3.29Å; K36-E49 IonicContact NZ-OE1 2.66Å; K36-E49 PolarHBondContact NZ-OE1 3.47Å; K36-E49 IonicContact NZ-OE2 2.7Å; K36-E49 PolarHBondContact NZ-OE2 2.84Å
50	M	78.3	Confident	72	Confident	63 Å²	63	87.2 Å²	87.2	31%	0.31	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.9	177.4	-167.3	66.5	52	0	0	109	L31 E32 L33 I71 W92	L31-M50 HydrophobicContact CD1-CG 3.5Å; L31-M50 HydrophobicContact CD1-SD 3.38Å; L31-M50 WeakPolarHBondContact CD1-SD 3.1Å; L31-M50 HydrophobicContact CD2-SD 4.09Å; L31-M50 HydrophobicContact CG-CG 4.32Å; L31-M50 HydrophobicContact CG-SD 3.5Å; L31-M50 VanDerWaalsContact CG-SD 3.5Å; E32-M50 VanDerWaalsContact C-SD 3.59Å; E32-M50 CarbonylContact O-C 3.58Å; E32-M50 WeakPolarHBondContact O-CA 3.37Å; L33-M50 HydrophobicContact CB-CE 3.61Å; L33-M50 HydrophobicContact CB-SD 4Å; L33-M50 HydrophobicContact CD1-CE 3.44Å; L33-M50 VanDerWaalsContact CD1-CE 3.44Å; L33-M50 HydrophobicContact CG-CE 4.01Å; M50-I71 HydrophobicContact CE-CG2 3.64Å; M50-I71 HydrophobicContact CG-CG2 4.19Å; M50-I71 HydrophobicContact SD-CG2 4.11Å; M50-W92 HydrophobicContact CE-CH2 4.08Å; M50-W92 HydrophobicContact CE-CZ2 3.43Å; M50-W92 VanDerWaalsContact CE-CZ2 3.43Å; M50-W92 HydrophobicContact SD-CH2 4.1Å; M50-W92 HydrophobicContact SD-CZ2 3.86Å
51	T	69.4	Low	70.6	Confident	45 Å²	45	86.4 Å²	86.4	28%	0.276	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.9	167.4	77.1	0	0	0	0	108.3	E32 V34	E32-T51 WeakPolarHBondContact CB-OG1 3.22Å; E32-T51 WeakPolarHBondContact CG-OG1 3.38Å; E32-T51 PolarHBondContact N-O 3.09Å; E32-T51 VanDerWaalsContact N-O 3.14Å; E32-T51 PolarHBondContact O-N 3.37Å; E32-T51 PolarHBondContact OE2-OG1 3.41Å; E32-T51 VanDerWaalsContact OE2-OG1 3.07Å; V34-T51 HydrophobicContact CG2-CG2 4.5Å
52	K	67.5	Low	69.2	Low	104 Å²	104	83.3 Å²	83.3	45%	0.452	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106	170.2	-179.5	177.6	178	176.7	0	107.6	V54 W62	K52-V54 HydrophobicContact CD-CG2 4.27Å; K52-V54 VanDerWaalsContact CE-CG2 3.45Å; K52-V54 HydrophobicContact CG-CG2 3.79Å; K52-W62 PolarHBondContact NZ-O 2.86Å; K52-W62 VanDerWaalsContact NZ-O 3.08Å
53	Q	59.9	Low	67.8	Low	107 Å²	107	83.6 Å²	83.6	50%	0.5	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	100.2	167.9	-72.1	-174.2	-6.3	0	0	108.6	R30	R30-Q53 CarbonylContact C-O 3.59Å; R30-Q53 HydrophobicContact CB-CB 4.25Å; R30-Q53 PolarHBondContact N-O 2.8Å; R30-Q53 CarbonylContact O-C 3.57Å; R30-Q53 PolarHBondContact O-N 3.5Å
54	V	59.4	Low	66.7	Low	48 Å²	48	77.6 Å²	77.6	29%	0.291	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.6	173.7	-179.1	0	0	0	0	107	L29 K52 F57	L29-V54 HydrophobicContact CD1-CG2 3.9Å; K52-V54 HydrophobicContact CD-CG2 4.27Å; K52-V54 VanDerWaalsContact CE-CG2 3.45Å; K52-V54 HydrophobicContact CG-CG2 3.79Å; V54-F57 HydrophobicContact CG1-CB 3.35Å
55	V	52.9	Low	65.8	Low	107 Å²	107	81.6 Å²	81.6	65%	0.648	46%	0.455	S	S	*	.	S	Bend	trans	-93.4	131.2	161.5	-172.2	0	0	0	0	106.1	E28 F57	E28-V55 WeakPolarHBondContact CB-O 3.41Å; E28-V55 PolarHBondContact O-N 3.32Å; V55-F57 VanDerWaalsContact C-N 3.29Å; V55-F57 PolarHBondContact O-N 2.87Å
56	G	49.8	Very low	65.3	Low	59 Å²	59	82.9 Å²	82.9	61%	0.608	45%	0.445	S	S	*	.	S	Bend	trans	66.1	-7.5	167.4	0	0	0	0	0	120.8	E28 K58	E28-G56 VanDerWaalsContact OE2-CA 3.24Å; E28-G56 WeakPolarHBondContact OE2-CA 3.39Å; G56-K58 PolarHBondContact O-N 3.43Å
57	F	51.7	Low	64.8	Low	48 Å²	48	82.2 Å²	82.2	21%	0.211	44%	0.441	C	S	.	.			trans	-77.6	107.1	-176.6	-131.2	-97.8	0	0	0	113.9	E27 V54 V55 K59 W62	E27-F57 HydrophobicContact CB-CE2 4.37Å; E27-F57 WeakPolarHBondContact OE2-CE2 3.4Å; V54-F57 HydrophobicContact CG1-CB 3.35Å; V55-F57 VanDerWaalsContact C-N 3.29Å; V55-F57 PolarHBondContact O-N 2.87Å; F57-K59 HydrophobicContact CD1-CB 4.24Å; F57-K59 HydrophobicContact CE1-CB 4.12Å; F57-K59 HydrophobicContact CE1-CD 4.36Å; F57-W62 AromaticContact CD1-CD1 3.62Å; F57-W62 HydrophobicContact CD1-CG 4.4Å; F57-W62 AromaticContact CD1-NE1 3.66Å; F57-W62 AromaticContact CE1-CD1 3.87Å; F57-W62 AromaticContact CE1-NE1 3.55Å
58	K	51.6	Low	64.3	Low	207 Å²	207	84.4 Å²	84.4	90%	0.9	45%	0.453	S	S	*	.			trans	-105.1	34.3	177.7	-68.6	-171.5	177.3	177.8	0	114.7	G56	G56-K58 PolarHBondContact O-N 3.43Å
59	K	54.3	Low	64.2	Low	140 Å²	140	86.6 Å²	86.6	61%	0.609	47%	0.465	S	S	*	.			trans	-96.8	128.3	173.4	-80.7	-177.9	177.7	173.3	0	111.9	F57 G61 W62	F57-K59 HydrophobicContact CD1-CB 4.24Å; F57-K59 HydrophobicContact CE1-CB 4.12Å; F57-K59 HydrophobicContact CE1-CD 4.36Å; K59-G61 PolarHBondContact O-N 3.23Å; K59-W62 PolarHBondContact O-N 2.94Å; K59-W62 VanDerWaalsContact O-N 3.15Å
60	D	55.8	Low	64.3	Low	127 Å²	127	82.2 Å²	82.2	68%	0.679	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-33.3	-40.4	176.7	52.6	6.4	0	0	0	116.2	W62 T63 T64	D60-W62 PolarHBondContact O-N 2.93Å; D60-W62 VanDerWaalsContact O-N 3.09Å; D60-T63 PolarHBondContact O-N 3.14Å; D60-T63 PolarHBondContact O-OG1 2.67Å; D60-T64 WeakPolarHBondContact O-CG2 3.32Å; D60-T64 PolarHBondContact O-N 3.42Å; D60-T64 VanDerWaalsContact O-N 3.08Å
61	G	54.8	Low	64.7	Low	26 Å²	26	79.4 Å²	79.4	27%	0.268	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-52.3	-34.5	-179.7	0	0	0	0	0	114.7	K59 T64	K59-G61 PolarHBondContact O-N 3.23Å; G61-T64 PolarHBondContact O-OG1 2.9Å
62	W	54	Low	65.5	Low	15 Å²	15	82.8 Å²	82.8	6%	0.057	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-93.1	-21.5	-170.9	-68.3	92.2	0	0	0	115.4	L29 K52 F57 K59 D60 W67 L100	L29-W62 HydrophobicContact CD1-CE3 4.07Å; L29-W62 HydrophobicContact CD1-CH2 3.25Å; L29-W62 HydrophobicContact CD1-CZ2 3.76Å; L29-W62 HydrophobicContact CD1-CZ3 3.34Å; L29-W62 HydrophobicContact CD2-CH2 3.18Å; L29-W62 HydrophobicContact CD2-CZ2 3.12Å; L29-W62 HydrophobicContact CD2-CZ3 4.19Å; L29-W62 HydrophobicContact CG-CH2 3.75Å; L29-W62 HydrophobicContact CG-CZ2 3.98Å; L29-W62 HydrophobicContact CG-CZ3 4.33Å; K52-W62 PolarHBondContact NZ-O 2.86Å; K52-W62 VanDerWaalsContact NZ-O 3.08Å; F57-W62 AromaticContact CD1-CD1 3.62Å; F57-W62 HydrophobicContact CD1-CG 4.4Å; F57-W62 AromaticContact CD1-NE1 3.66Å; F57-W62 AromaticContact CE1-CD1 3.87Å; F57-W62 AromaticContact CE1-NE1 3.55Å; K59-W62 PolarHBondContact O-N 2.94Å; K59-W62 VanDerWaalsContact O-N 3.15Å; D60-W62 PolarHBondContact O-N 2.93Å; D60-W62 VanDerWaalsContact O-N 3.09Å; W62-W67 HydrophobicContact CD2-CD2 4.43Å; W62-W67 HydrophobicContact CD2-CE3 4.37Å; W62-W67 HydrophobicContact CD2-CZ3 4.44Å; W62-W67 AromaticContact CE3-CD2 3.65Å; W62-W67 HydrophobicContact CE3-CD2 3.65Å; W62-W67 AromaticContact CE3-CE2 3.43Å; W62-W67 VanDerWaalsContact CE3-CE2 3.43Å; W62-W67 AromaticContact CE3-CE3 3.9Å; W62-W67 HydrophobicContact CE3-CE3 3.9Å; W62-W67 HydrophobicContact CE3-CG 4.37Å; W62-W67 AromaticContact CE3-CH2 3.76Å; W62-W67 HydrophobicContact CE3-CH2 3.76Å; W62-W67 AromaticContact CE3-CZ2 3.53Å; W62-W67 HydrophobicContact CE3-CZ2 3.53Å; W62-W67 AromaticContact CE3-CZ3 3.95Å; W62-W67 HydrophobicContact CE3-CZ3 3.95Å; W62-W67 AromaticContact CE3-NE1 3.98Å; W62-W67 AromaticContact CH2-CH2 3.18Å; W62-W67 HydrophobicContact CH2-CH2 3.18Å; W62-W67 AromaticContact CH2-CZ2 3.55Å; W62-W67 HydrophobicContact CH2-CZ2 3.55Å; W62-W67 AromaticContact CH2-CZ3 3.76Å; W62-W67 HydrophobicContact CH2-CZ3 3.76Å; W62-W67 HydrophobicContact CZ2-CH2 4.14Å; W62-W67 HydrophobicContact CZ2-CZ3 4.32Å; W62-W67 AromaticContact CZ3-CD2 3.92Å; W62-W67 HydrophobicContact CZ3-CD2 3.92Å; W62-W67 AromaticContact CZ3-CE2 3.32Å; W62-W67 HydrophobicContact CZ3-CE3 4.05Å; W62-W67 AromaticContact CZ3-CH2 3.03Å; W62-W67 HydrophobicContact CZ3-CH2 3.03Å; W62-W67 AromaticContact CZ3-CZ2 2.87Å; W62-W67 HydrophobicContact CZ3-CZ2 2.87Å; W62-W67 AromaticContact CZ3-CZ3 3.65Å; W62-W67 HydrophobicContact CZ3-CZ3 3.65Å; W62-L100 HydrophobicContact CD2-CD2 4.29Å; W62-L100 VanDerWaalsContact CE2-CD2 3.41Å; W62-L100 HydrophobicContact CH2-CD1 3.77Å; W62-L100 HydrophobicContact CH2-CD2 3.35Å; W62-L100 HydrophobicContact CH2-CG 4.13Å; W62-L100 HydrophobicContact CZ2-CD1 3.42Å; W62-L100 VanDerWaalsContact CZ2-CD1 3.42Å; W62-L100 HydrophobicContact CZ2-CD2 2.87Å; W62-L100 HydrophobicContact CZ2-CG 3.65Å; W62-L100 HydrophobicContact CZ3-CD2 4.29Å
63	T	54.7	Low	66.6	Low	111 Å²	111	80.2 Å²	80.2	68%	0.681	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.2	172.6	53.3	0	0	0	0	111.2	D60	D60-T63 PolarHBondContact O-N 3.14Å; D60-T63 PolarHBondContact O-OG1 2.67Å
64	T	62	Low	68	Low	48 Å²	48	75.1 Å²	75.1	29%	0.294	41%	0.411	S	S	.	.	S	Bend	trans	-58.4	138.8	172	68.2	0	0	0	0	110	D60 G61 R66 W67	D60-T64 WeakPolarHBondContact O-CG2 3.32Å; D60-T64 PolarHBondContact O-N 3.42Å; D60-T64 VanDerWaalsContact O-N 3.08Å; G61-T64 PolarHBondContact O-OG1 2.9Å; T64-R66 PolarHBondContact O-N 3.36Å; T64-W67 PolarHBondContact O-N 3.34Å; T64-W67 VanDerWaalsContact O-N 3.12Å; T64-W67 PolarHBondContact OG1-N 3.35Å
65	P	68.7	Low	69.5	Low	121 Å²	121	73.2 Å²	73.2	79%	0.786	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-4.5	172.1	23.3	-32.5	0	0	0	113.1	P69	P65-P69 WeakPolarHBondContact O-CD 3.23Å
66	R	77.3	Confident	71.3	Confident	161 Å²	161	71 Å²	71	61%	0.608	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-20.5	179.8	-61.4	-176.3	177.9	-168.5	-1.4	113.7	T64 F70	T64-R66 PolarHBondContact O-N 3.36Å; R66-F70 WeakPolarHBondContact O-CB 3.47Å; R66-F70 PolarHBondContact O-N 3.12Å
67	W	78.5	Confident	73.2	Confident	6 Å²	6	71.9 Å²	71.9	2%	0.023	37%	0.372	C	S	.	.	H	α-helix	trans	-58.3	-63.1	-176.7	167.9	-100.9	0	0	0	112.9	L31 W62 T64 F70 I71 V96 F99 L100	L31-W67 HydrophobicContact CD1-CZ2 4.01Å; L31-W67 HydrophobicContact CD2-CH2 4.12Å; L31-W67 HydrophobicContact CD2-CZ2 3.94Å; W62-W67 HydrophobicContact CD2-CD2 4.43Å; W62-W67 HydrophobicContact CD2-CE3 4.37Å; W62-W67 HydrophobicContact CD2-CZ3 4.44Å; W62-W67 AromaticContact CE3-CD2 3.65Å; W62-W67 HydrophobicContact CE3-CD2 3.65Å; W62-W67 AromaticContact CE3-CE2 3.43Å; W62-W67 VanDerWaalsContact CE3-CE2 3.43Å; W62-W67 AromaticContact CE3-CE3 3.9Å; W62-W67 HydrophobicContact CE3-CE3 3.9Å; W62-W67 HydrophobicContact CE3-CG 4.37Å; W62-W67 AromaticContact CE3-CH2 3.76Å; W62-W67 HydrophobicContact CE3-CH2 3.76Å; W62-W67 AromaticContact CE3-CZ2 3.53Å; W62-W67 HydrophobicContact CE3-CZ2 3.53Å; W62-W67 AromaticContact CE3-CZ3 3.95Å; W62-W67 HydrophobicContact CE3-CZ3 3.95Å; W62-W67 AromaticContact CE3-NE1 3.98Å; W62-W67 AromaticContact CH2-CH2 3.18Å; W62-W67 HydrophobicContact CH2-CH2 3.18Å; W62-W67 AromaticContact CH2-CZ2 3.55Å; W62-W67 HydrophobicContact CH2-CZ2 3.55Å; W62-W67 AromaticContact CH2-CZ3 3.76Å; W62-W67 HydrophobicContact CH2-CZ3 3.76Å; W62-W67 HydrophobicContact CZ2-CH2 4.14Å; W62-W67 HydrophobicContact CZ2-CZ3 4.32Å; W62-W67 AromaticContact CZ3-CD2 3.92Å; W62-W67 HydrophobicContact CZ3-CD2 3.92Å; W62-W67 AromaticContact CZ3-CE2 3.32Å; W62-W67 HydrophobicContact CZ3-CE3 4.05Å; W62-W67 AromaticContact CZ3-CH2 3.03Å; W62-W67 HydrophobicContact CZ3-CH2 3.03Å; W62-W67 AromaticContact CZ3-CZ2 2.87Å; W62-W67 HydrophobicContact CZ3-CZ2 2.87Å; W62-W67 AromaticContact CZ3-CZ3 3.65Å; W62-W67 HydrophobicContact CZ3-CZ3 3.65Å; T64-W67 PolarHBondContact O-N 3.34Å; T64-W67 VanDerWaalsContact O-N 3.12Å; T64-W67 PolarHBondContact OG1-N 3.35Å; W67-F70 PolarHBondContact O-N 2.96Å; W67-F70 VanDerWaalsContact O-N 3.12Å; W67-I71 HydrophobicContact CD2-CG1 3.83Å; W67-I71 HydrophobicContact CE3-CD1 4.13Å; W67-I71 HydrophobicContact CE3-CG1 3.86Å; W67-I71 HydrophobicContact CH2-CD1 3.19Å; W67-I71 HydrophobicContact CH2-CG1 3.44Å; W67-I71 VanDerWaalsContact CH2-CG1 3.44Å; W67-I71 HydrophobicContact CZ2-CB 4.5Å; W67-I71 HydrophobicContact CZ2-CD1 3.62Å; W67-I71 HydrophobicContact CZ2-CG1 3.33Å; W67-I71 HydrophobicContact CZ3-CD1 3.46Å; W67-I71 VanDerWaalsContact CZ3-CD1 3.46Å; W67-I71 HydrophobicContact CZ3-CG1 3.68Å; W67-I71 WeakPolarHBondContact O-CG1 3.41Å; W67-I71 PolarHBondContact O-N 3.45Å; W67-V96 HydrophobicContact CH2-CG1 4.04Å; W67-F99 AromaticContact CE3-CD1 3.6Å; W67-F99 HydrophobicContact CE3-CD1 3.6Å; W67-F99 AromaticContact CE3-CE1 3.49Å; W67-F99 HydrophobicContact CE3-CE1 3.49Å; W67-F99 VanDerWaalsContact CE3-CE1 3.49Å; W67-F99 HydrophobicContact CE3-CZ 4.46Å; W67-F99 AromaticContact CZ3-CD1 3.66Å; W67-F99 HydrophobicContact CZ3-CD1 3.66Å; W67-F99 HydrophobicContact CZ3-CE1 4.06Å; W67-L100 HydrophobicContact CE3-CD2 4.3Å; W67-L100 HydrophobicContact CH2-CD2 3.81Å; W67-L100 HydrophobicContact CZ3-CD2 3.35Å
68	T	78.8	Confident	75	Confident	100 Å²	100	69.6 Å²	69.6	61%	0.613	36%	0.362	S	S	*	.	H	α-helix	trans	-60	-46	-173.8	-52.6	0	0	0	0	111.9	F70 I71 F72	T68-F70 PolarHBondContact O-N 3.32Å; T68-I71 PolarHBondContact O-N 3.43Å; T68-F72 PolarHBondContact O-N 3.25Å
69	P	83.9	Confident	76.7	Confident	72 Å²	72	62.5 Å²	62.5	47%	0.468	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-42.4	174.3	-23.4	34.7	0	0	0	113	P65 I71 F72 V73	P65-P69 WeakPolarHBondContact O-CD 3.23Å; P69-I71 PolarHBondContact O-N 2.94Å; P69-F72 PolarHBondContact O-N 3.27Å; P69-V73 VanDerWaalsContact O-CB 3.3Å; P69-V73 WeakPolarHBondContact O-CB 3.46Å; P69-V73 WeakPolarHBondContact O-CG2 3.2Å; P69-V73 PolarHBondContact O-N 2.88Å
70	F	87.7	Confident	78.3	Confident	12 Å²	12	62 Å²	62	5%	0.053	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-45.7	-178.9	174.6	-101.6	0	0	0	111.9	R66 W67 T68 F72 V73 S74 N95 F99 P105 M110 I112	R66-F70 WeakPolarHBondContact O-CB 3.47Å; R66-F70 PolarHBondContact O-N 3.12Å; W67-F70 PolarHBondContact O-N 2.96Å; W67-F70 VanDerWaalsContact O-N 3.12Å; T68-F70 PolarHBondContact O-N 3.32Å; F70-F72 PolarHBondContact O-N 2.94Å; F70-V73 PolarHBondContact O-N 3.46Å; F70-S74 VanDerWaalsContact O-CB 3.23Å; F70-S74 WeakPolarHBondContact O-CB 3.3Å; F70-S74 PolarHBondContact O-N 3.14Å; F70-S74 PolarHBondContact O-OG 3.32Å; F70-N95 WeakPolarHBondContact CE1-O 3.39Å; F70-N95 HydrophobicContact CZ-CB 4.3Å; F70-F99 HydrophobicContact CB-CD2 4.4Å; F70-F99 HydrophobicContact CB-CE2 4.09Å; F70-F99 HydrophobicContact CD1-CB 3.93Å; F70-F99 HydrophobicContact CD1-CD1 4.3Å; F70-F99 AromaticContact CD1-CD2 3.31Å; F70-F99 HydrophobicContact CD1-CD2 3.31Å; F70-F99 AromaticContact CD1-CE2 3.85Å; F70-F99 HydrophobicContact CD1-CE2 3.85Å; F70-F99 AromaticContact CD1-CG 3.57Å; F70-F99 HydrophobicContact CD1-CG 3.57Å; F70-F99 HydrophobicContact CD2-CD2 4.12Å; F70-F99 HydrophobicContact CD2-CE2 4.38Å; F70-F99 HydrophobicContact CE1-CB 3.38Å; F70-F99 AromaticContact CE1-CD2 3.49Å; F70-F99 HydrophobicContact CE1-CD2 3.49Å; F70-F99 VanDerWaalsContact CE1-CD2 3.49Å; F70-F99 HydrophobicContact CE1-CE2 4.43Å; F70-F99 AromaticContact CE1-CG 3.57Å; F70-F99 HydrophobicContact CE1-CG 3.57Å; F70-F99 HydrophobicContact CE2-CD2 4.25Å; F70-F99 AromaticContact CG-CD2 3.65Å; F70-F99 HydrophobicContact CG-CD2 3.65Å; F70-F99 AromaticContact CG-CE2 3.81Å; F70-F99 HydrophobicContact CG-CE2 3.81Å; F70-F99 HydrophobicContact CG-CG 4.36Å; F70-F99 HydrophobicContact CZ-CB 4.05Å; F70-F99 AromaticContact CZ-CD2 3.94Å; F70-F99 HydrophobicContact CZ-CD2 3.94Å; F70-F99 HydrophobicContact CZ-CG 4.34Å; F70-P105 HydrophobicContact CD2-CB 4.05Å; F70-P105 HydrophobicContact CD2-CG 4.04Å; F70-P105 HydrophobicContact CE2-CB 3.66Å; F70-P105 HydrophobicContact CE2-CG 4.1Å; F70-M110 WeakPolarHBondContact CE2-O 3.38Å; F70-I112 HydrophobicContact CE1-CD1 4.31Å; F70-I112 HydrophobicContact CE2-CD1 4.37Å; F70-I112 HydrophobicContact CE2-CG1 4.26Å; F70-I112 HydrophobicContact CZ-CD1 3.69Å; F70-I112 HydrophobicContact CZ-CG1 3.95Å
71	I	86	Confident	79.6	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.015	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-38.8	-177.5	-66.5	-65	0	0	0	112.9	L31 M50 W67 T68 P69 S74 F75 W92 V96	L31-I71 HydrophobicContact CD2-CD1 4.41Å; L31-I71 HydrophobicContact CD2-CG2 4.36Å; M50-I71 HydrophobicContact CE-CG2 3.64Å; M50-I71 HydrophobicContact CG-CG2 4.19Å; M50-I71 HydrophobicContact SD-CG2 4.11Å; W67-I71 HydrophobicContact CD2-CG1 3.83Å; W67-I71 HydrophobicContact CE3-CD1 4.13Å; W67-I71 HydrophobicContact CE3-CG1 3.86Å; W67-I71 HydrophobicContact CH2-CD1 3.19Å; W67-I71 HydrophobicContact CH2-CG1 3.44Å; W67-I71 VanDerWaalsContact CH2-CG1 3.44Å; W67-I71 HydrophobicContact CZ2-CB 4.5Å; W67-I71 HydrophobicContact CZ2-CD1 3.62Å; W67-I71 HydrophobicContact CZ2-CG1 3.33Å; W67-I71 HydrophobicContact CZ3-CD1 3.46Å; W67-I71 VanDerWaalsContact CZ3-CD1 3.46Å; W67-I71 HydrophobicContact CZ3-CG1 3.68Å; W67-I71 WeakPolarHBondContact O-CG1 3.41Å; W67-I71 PolarHBondContact O-N 3.45Å; T68-I71 PolarHBondContact O-N 3.43Å; P69-I71 PolarHBondContact O-N 2.94Å; I71-S74 PolarHBondContact O-OG 3.4Å; I71-F75 PolarHBondContact O-N 3.07Å; I71-W92 HydrophobicContact CG2-CZ2 3.94Å; I71-W92 PolarHBondContact O-NE1 3.27Å; I71-V96 HydrophobicContact CD1-CB 4.15Å; I71-V96 HydrophobicContact CD1-CG1 3.93Å; I71-V96 HydrophobicContact CD1-CG2 3.48Å; I71-V96 VanDerWaalsContact CD1-CG2 3.48Å
72	F	87.1	Confident	81	Confident	117 Å²	117	58.2 Å²	58.2	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-71.5	-46.6	177.2	-170.9	-98.8	0	0	0	111.2	T68 P69 F70 S74 F75 V76	T68-F72 PolarHBondContact O-N 3.25Å; P69-F72 PolarHBondContact O-N 3.27Å; F70-F72 PolarHBondContact O-N 2.94Å; F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 2.98Å; F72-F75 PolarHBondContact O-N 2.82Å; F72-V76 HydrophobicContact CD1-CG2 4.32Å; F72-V76 HydrophobicContact CE1-CG2 3.98Å; F72-V76 HydrophobicContact CZ-CG2 4.32Å; F72-V76 WeakPolarHBondContact O-CG2 3.38Å; F72-V76 PolarHBondContact O-N 2.66Å; F72-V76 VanDerWaalsContact O-N 3.12Å
73	V	89.7	Confident	82.4	Confident	50 Å²	50	64.7 Å²	64.7	30%	0.303	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-41	177.4	170.5	0	0	0	0	110.9	P69 F70 F75 V76 K77 M110	P69-V73 VanDerWaalsContact O-CB 3.3Å; P69-V73 WeakPolarHBondContact O-CB 3.46Å; P69-V73 WeakPolarHBondContact O-CG2 3.2Å; P69-V73 PolarHBondContact O-N 2.88Å; F70-V73 PolarHBondContact O-N 3.46Å; V73-F75 VanDerWaalsContact C-N 3.34Å; V73-F75 PolarHBondContact O-N 3.27Å; V73-V76 PolarHBondContact O-N 2.79Å; V73-K77 HydrophobicContact CG1-CG 4.1Å; V73-K77 WeakPolarHBondContact O-CB 3.34Å; V73-K77 VanDerWaalsContact O-CG 3.23Å; V73-K77 WeakPolarHBondContact O-CG 3.16Å; V73-K77 PolarHBondContact O-N 3.13Å; V73-M110 HydrophobicContact CG1-CB 3.73Å; V73-M110 HydrophobicContact CG1-CG 4.48Å
74	S	89.7	Confident	83.7	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-39.6	179.8	69.9	0	0	0	0	111.8	F70 I71 F72 K77 S78 W92 M111	F70-S74 VanDerWaalsContact O-CB 3.23Å; F70-S74 WeakPolarHBondContact O-CB 3.3Å; F70-S74 PolarHBondContact O-N 3.14Å; F70-S74 PolarHBondContact O-OG 3.32Å; I71-S74 PolarHBondContact O-OG 3.4Å; F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 2.98Å; S74-K77 PolarHBondContact O-N 3.24Å; S74-S78 WeakPolarHBondContact O-CB 3.35Å; S74-S78 PolarHBondContact O-N 2.84Å; S74-S78 PolarHBondContact O-OG 2.79Å; S74-W92 VanDerWaalsContact OG-CD1 3.22Å; S74-W92 PolarHBondContact OG-NE1 3.02Å; S74-M111 VanDerWaalsContact CA-SD 3.6Å
75	F	90.2	Very high	84.8	Confident	8 Å²	8	59 Å²	59	4%	0.035	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-49.5	175.1	173.4	-110	0	0	0	111.9	L33 I35 A48 I71 F72 V73 K77 S78 L79 C88 W92	L33-F75 HydrophobicContact CD1-CD1 4.3Å; L33-F75 HydrophobicContact CD1-CD2 4.12Å; L33-F75 HydrophobicContact CD1-CE1 4.49Å; L33-F75 HydrophobicContact CD1-CE2 4.3Å; L33-F75 HydrophobicContact CD1-CG 4.11Å; L33-F75 HydrophobicContact CD1-CZ 4.47Å; L33-F75 HydrophobicContact CD2-CD2 3.41Å; L33-F75 VanDerWaalsContact CD2-CD2 3.41Å; L33-F75 HydrophobicContact CD2-CE2 3.64Å; L33-F75 HydrophobicContact CD2-CG 4.13Å; L33-F75 HydrophobicContact CG-CD2 4.38Å; L33-F75 HydrophobicContact CG-CE2 4.44Å; I35-F75 HydrophobicContact CD1-CE2 3.57Å; I35-F75 HydrophobicContact CD1-CZ 3.74Å; I35-F75 HydrophobicContact CG1-CE2 4.09Å; I35-F75 HydrophobicContact CG1-CZ 3.87Å; I35-F75 HydrophobicContact CG2-CZ 4.37Å; A48-F75 HydrophobicContact CB-CD1 3.76Å; A48-F75 HydrophobicContact CB-CE1 3.27Å; A48-F75 HydrophobicContact CB-CZ 3.99Å; I71-F75 PolarHBondContact O-N 3.07Å; F72-F75 PolarHBondContact O-N 2.82Å; V73-F75 VanDerWaalsContact C-N 3.34Å; V73-F75 PolarHBondContact O-N 3.27Å; F75-K77 VanDerWaalsContact C-N 3.29Å; F75-K77 PolarHBondContact O-N 3.08Å; F75-S78 WeakPolarHBondContact O-CB 3.4Å; F75-S78 PolarHBondContact O-N 3.35Å; F75-S78 VanDerWaalsContact O-N 3.14Å; F75-L79 PolarHBondContact O-N 3.13Å; F75-C88 VanDerWaalsContact CE2-SG 3.56Å; F75-W92 VanDerWaalsContact CA-CD1 3.5Å; F75-W92 HydrophobicContact CB-CG 4.36Å; F75-W92 HydrophobicContact CD2-CG 4.49Å
76	V	90.6	Very high	85.5	Confident	60 Å²	60	54.6 Å²	54.6	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-42.2	178.8	175.2	0	0	0	0	110.7	F72 V73 L79 L80	F72-V76 HydrophobicContact CD1-CG2 4.32Å; F72-V76 HydrophobicContact CE1-CG2 3.98Å; F72-V76 HydrophobicContact CZ-CG2 4.32Å; F72-V76 WeakPolarHBondContact O-CG2 3.38Å; F72-V76 PolarHBondContact O-N 2.66Å; F72-V76 VanDerWaalsContact O-N 3.12Å; V73-V76 PolarHBondContact O-N 2.79Å; V76-L79 PolarHBondContact O-N 3.45Å; V76-L80 HydrophobicContact CG1-CD1 4.42Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 3.41Å
77	K	90	Very high	85.8	Confident	78 Å²	78	50.9 Å²	50.9	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-39.5	176.4	-70.8	-66.1	-174.8	-172.9	0	112.1	V73 S74 F75 L79 L80 Q81 M111	V73-K77 HydrophobicContact CG1-CG 4.1Å; V73-K77 WeakPolarHBondContact O-CB 3.34Å; V73-K77 VanDerWaalsContact O-CG 3.23Å; V73-K77 WeakPolarHBondContact O-CG 3.16Å; V73-K77 PolarHBondContact O-N 3.13Å; S74-K77 PolarHBondContact O-N 3.24Å; F75-K77 VanDerWaalsContact C-N 3.29Å; F75-K77 PolarHBondContact O-N 3.08Å; K77-L79 VanDerWaalsContact C-N 3.3Å; K77-L79 PolarHBondContact O-N 3.31Å; K77-L80 PolarHBondContact O-N 3.35Å; K77-Q81 WeakPolarHBondContact O-CB 3.41Å; K77-Q81 VanDerWaalsContact O-CG 3.29Å; K77-Q81 WeakPolarHBondContact O-CG 3.45Å; K77-Q81 PolarHBondContact O-N 3.32Å; K77-M111 HydrophobicContact CB-CE 4.02Å; K77-M111 HydrophobicContact CB-CG 4.03Å; K77-M111 HydrophobicContact CB-SD 3.47Å; K77-M111 WeakPolarHBondContact CB-SD 3.32Å; K77-M111 HydrophobicContact CG-CG 4.27Å; K77-M111 HydrophobicContact CG-SD 3.95Å
78	S	89.3	Confident	86.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-40.7	174.5	-65.6	0	0	0	0	111.9	S74 F75 L80 Q81 T82 C88 F91 W92	S74-S78 WeakPolarHBondContact O-CB 3.35Å; S74-S78 PolarHBondContact O-N 2.84Å; S74-S78 PolarHBondContact O-OG 2.79Å; F75-S78 WeakPolarHBondContact O-CB 3.4Å; F75-S78 PolarHBondContact O-N 3.35Å; F75-S78 VanDerWaalsContact O-N 3.14Å; S78-L80 VanDerWaalsContact C-N 3.26Å; S78-L80 PolarHBondContact O-N 3.35Å; S78-Q81 PolarHBondContact O-N 3.19Å; S78-T82 WeakPolarHBondContact O-CB 3.2Å; S78-T82 WeakPolarHBondContact O-CG2 3.24Å; S78-T82 PolarHBondContact O-N 2.92Å; S78-T82 VanDerWaalsContact O-N 3.11Å; S78-T82 PolarHBondContact O-OG1 3.44Å; S78-C88 WeakPolarHBondContact CB-O 3.46Å; S78-F91 VanDerWaalsContact OG-CD1 3.24Å; S78-F91 WeakPolarHBondContact OG-CD1 3.4Å; S78-W92 WeakPolarHBondContact OG-CA 3.16Å; S78-W92 PolarHBondContact OG-N 3.5Å
79	L	88.7	Confident	86.6	Confident	57 Å²	57	45.9 Å²	45.9	30%	0.298	25%	0.25	S	C	.	.	H	α-helix	trans	-62	-36.3	177.1	-175.9	62.8	0	0	0	111.9	L46 F75 V76 K77 L85 C88	L46-L79 HydrophobicContact CD1-CD1 3.75Å; L46-L79 HydrophobicContact CD1-CD2 3.83Å; L46-L79 HydrophobicContact CD1-CG 4.48Å; F75-L79 PolarHBondContact O-N 3.13Å; V76-L79 PolarHBondContact O-N 3.45Å; K77-L79 VanDerWaalsContact C-N 3.3Å; K77-L79 PolarHBondContact O-N 3.31Å; L79-L85 HydrophobicContact CD1-CD2 3.82Å; L79-C88 VanDerWaalsContact CA-SG 3.53Å; L79-C88 PolarHBondContact N-SG 2.79Å
80	L	86.5	Confident	86.7	Confident	131 Å²	131	45.6 Å²	45.6	69%	0.686	24%	0.244	S	C	*	.	H	α-helix	trans	-79	-22.4	178.1	-65	172.8	0	0	0	113.9	V76 K77 S78	V76-L80 HydrophobicContact CG1-CD1 4.42Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 3.41Å; K77-L80 PolarHBondContact O-N 3.35Å; S78-L80 VanDerWaalsContact C-N 3.26Å; S78-L80 PolarHBondContact O-N 3.35Å
81	Q	83.5	Confident	86.7	Confident	51 Å²	51	45.6 Å²	45.6	24%	0.238	24%	0.244	C	C	.	.	H	α-helix	trans	-102.6	-4.9	-173.5	-72.8	-178.4	30.4	0	0	113.9	K77 S78 F91 N115	K77-Q81 WeakPolarHBondContact O-CB 3.41Å; K77-Q81 VanDerWaalsContact O-CG 3.29Å; K77-Q81 WeakPolarHBondContact O-CG 3.45Å; K77-Q81 PolarHBondContact O-N 3.32Å; S78-Q81 PolarHBondContact O-N 3.19Å; Q81-F91 HydrophobicContact CB-CE1 4.36Å; Q81-N115 HydrophobicContact CB-CB 4.17Å; Q81-N115 PolarHBondContact O-ND2 3.32Å
82	T	83.7	Confident	86.8	Confident	21 Å²	21	45.6 Å²	45.6	13%	0.129	24%	0.244	C	C	.	.	S	Bend	trans	-126.7	145.7	-174.5	62.1	0	0	0	0	110.6	S78 N87 C88 F91	S78-T82 WeakPolarHBondContact O-CB 3.2Å; S78-T82 WeakPolarHBondContact O-CG2 3.24Å; S78-T82 PolarHBondContact O-N 2.92Å; S78-T82 VanDerWaalsContact O-N 3.11Å; S78-T82 PolarHBondContact O-OG1 3.44Å; T82-N87 HydrophobicContact CG2-CB 4.22Å; T82-C88 WeakPolarHBondContact OG1-CA 3.38Å; T82-C88 VanDerWaalsContact OG1-CB 3.27Å; T82-C88 WeakPolarHBondContact OG1-CB 3.39Å; T82-C88 PolarHBondContact OG1-N 3.2Å; T82-C88 VanDerWaalsContact OG1-N 3.09Å; T82-F91 HydrophobicContact CG2-CB 3.82Å; T82-F91 HydrophobicContact CG2-CD1 4.1Å; T82-F91 HydrophobicContact CG2-CG 4.13Å
83	N	83	Confident	86.8	Confident	152 Å²	152	42.6 Å²	42.6	81%	0.813	23%	0.23	S	C	*	.	S	Bend	trans	-92.4	110.8	171.3	-166.5	11.3	0	0	0	108.5	N87	N83-N87 PolarHBondContact O-ND2 3.49Å
84	G	83.4	Confident	86.7	Confident	32 Å²	32	42.9 Å²	42.9	33%	0.33	23%	0.23	S	C	.	.	S	Bend	trans	95	147.2	179.7	0	0	0	0	0	115.1	V86 N87 C88	G84-V86 VanDerWaalsContact C-N 3.33Å; G84-V86 PolarHBondContact O-N 3.02Å; G84-N87 PolarHBondContact O-N 3.36Å; G84-C88 PolarHBondContact O-N 2.77Å; G84-C88 VanDerWaalsContact O-N 3.09Å
85	L	85.1	Confident	86.7	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-32.8	-174	-61.1	-178.9	0	0	0	113.7	I13 I20 I37 Y41 L46 L79 C88 V89	I13-L85 HydrophobicContact CD1-CB 3.83Å; I20-L85 HydrophobicContact CD1-CB 3.94Å; I20-L85 HydrophobicContact CD1-CD1 3.67Å; I20-L85 HydrophobicContact CD1-CG 4.45Å; I37-L85 HydrophobicContact CD1-CD1 3.54Å; I37-L85 HydrophobicContact CG1-CD1 3.94Å; Y41-L85 HydrophobicContact CE1-CD1 4.24Å; Y41-L85 HydrophobicContact CE1-CG 4.43Å; Y41-L85 HydrophobicContact CE2-CD2 4.33Å; Y41-L85 WeakPolarHBondContact OH-CD2 3.29Å; L46-L85 HydrophobicContact CD1-CD2 3.36Å; L79-L85 HydrophobicContact CD1-CD2 3.82Å; L85-C88 WeakPolarHBondContact O-CB 3.47Å; L85-C88 PolarHBondContact O-N 3.42Å; L85-V89 VanDerWaalsContact O-CG2 3.32Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.45Å
86	V	82.7	Confident	86.6	Confident	28 Å²	28	42.5 Å²	42.5	17%	0.17	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-50.9	176	178.2	0	0	0	0	110.6	V11 I13 G84 C88 V89 L90	V11-V86 HydrophobicContact CB-CB 4.49Å; V11-V86 HydrophobicContact CB-CG1 3.64Å; V11-V86 HydrophobicContact CB-CG2 4Å; V11-V86 HydrophobicContact CG1-CB 4.29Å; V11-V86 HydrophobicContact CG1-CG1 3.85Å; V11-V86 HydrophobicContact CG1-CG2 3.44Å; V11-V86 VanDerWaalsContact CG1-CG2 3.44Å; V11-V86 HydrophobicContact CG2-CG1 3.99Å; I13-V86 HydrophobicContact CD1-CG2 3.65Å; I13-V86 HydrophobicContact CG1-CG2 3.84Å; G84-V86 VanDerWaalsContact C-N 3.33Å; G84-V86 PolarHBondContact O-N 3.02Å; V86-C88 VanDerWaalsContact C-N 3.28Å; V86-C88 PolarHBondContact O-N 3.3Å; V86-V89 PolarHBondContact O-N 3.16Å; V86-L90 HydrophobicContact CG1-CD1 3.95Å; V86-L90 WeakPolarHBondContact O-CG 3.41Å; V86-L90 PolarHBondContact O-N 2.9Å
87	N	84.3	Confident	86.3	Confident	83 Å²	83	42 Å²	42	44%	0.444	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-37.9	179	-70.3	-31.2	0	0	0	110.9	T82 N83 G84 L90 F91	T82-N87 HydrophobicContact CG2-CB 4.22Å; N83-N87 PolarHBondContact O-ND2 3.49Å; G84-N87 PolarHBondContact O-N 3.36Å; N87-L90 PolarHBondContact O-N 3.06Å; N87-F91 WeakPolarHBondContact O-CB 3.27Å; N87-F91 PolarHBondContact O-N 3.31Å
88	C	87.9	Confident	86.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-51.5	173.4	174.7	0	0	0	0	111.6	F75 S78 L79 T82 G84 L85 V86 F91 W92	F75-C88 VanDerWaalsContact CE2-SG 3.56Å; S78-C88 WeakPolarHBondContact CB-O 3.46Å; L79-C88 VanDerWaalsContact CA-SG 3.53Å; L79-C88 PolarHBondContact N-SG 2.79Å; T82-C88 WeakPolarHBondContact OG1-CA 3.38Å; T82-C88 VanDerWaalsContact OG1-CB 3.27Å; T82-C88 WeakPolarHBondContact OG1-CB 3.39Å; T82-C88 PolarHBondContact OG1-N 3.2Å; T82-C88 VanDerWaalsContact OG1-N 3.09Å; G84-C88 PolarHBondContact O-N 2.77Å; G84-C88 VanDerWaalsContact O-N 3.09Å; L85-C88 WeakPolarHBondContact O-CB 3.47Å; L85-C88 PolarHBondContact O-N 3.42Å; V86-C88 VanDerWaalsContact C-N 3.28Å; V86-C88 PolarHBondContact O-N 3.3Å; C88-F91 PolarHBondContact O-N 3.49Å; C88-W92 VanDerWaalsContact O-CB 3.25Å; C88-W92 WeakPolarHBondContact O-CB 3.38Å; C88-W92 PolarHBondContact O-N 2.9Å
89	V	86.7	Confident	86	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-42.7	-179.5	176.1	0	0	0	0	111.4	F7 A22 I35 L85 V86 W92 K93	F7-V89 HydrophobicContact CE1-CG1 4.44Å; F7-V89 HydrophobicContact CZ-CG1 3.7Å; A22-V89 HydrophobicContact CB-CG1 3.36Å; A22-V89 HydrophobicContact CB-CG2 4.37Å; I35-V89 HydrophobicContact CD1-CG2 3.72Å; L85-V89 VanDerWaalsContact O-CG2 3.32Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.45Å; V86-V89 PolarHBondContact O-N 3.16Å; V89-W92 PolarHBondContact O-N 3.02Å; V89-K93 WeakPolarHBondContact O-CB 3.4Å; V89-K93 PolarHBondContact O-N 3.3Å
90	L	85.6	Confident	85.6	Confident	65 Å²	65	39.4 Å²	39.4	34%	0.34	21%	0.212	S	C	.	.	H	α-helix	trans	-61	-44.8	176.2	-75.3	169.7	0	0	0	112	F7 V86 N87 K93 I94	F7-L90 HydrophobicContact CD1-CD2 3.44Å; F7-L90 VanDerWaalsContact CD1-CD2 3.44Å; F7-L90 HydrophobicContact CE1-CD2 3.34Å; F7-L90 HydrophobicContact CE1-CG 4.01Å; V86-L90 HydrophobicContact CG1-CD1 3.95Å; V86-L90 WeakPolarHBondContact O-CG 3.41Å; V86-L90 PolarHBondContact O-N 2.9Å; N87-L90 PolarHBondContact O-N 3.06Å; L90-K93 WeakPolarHBondContact O-CB 3.17Å; L90-K93 PolarHBondContact O-N 3.4Å; L90-I94 WeakPolarHBondContact O-CG1 3.23Å; L90-I94 PolarHBondContact O-N 2.79Å
91	F	87.6	Confident	85.5	Confident	12 Å²	12	39.6 Å²	39.6	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-71.7	-35.3	-179.7	-173	-117.8	0	0	0	112.4	S78 Q81 T82 N87 C88 I94 N95 M111 V113 N115	S78-F91 VanDerWaalsContact OG-CD1 3.24Å; S78-F91 WeakPolarHBondContact OG-CD1 3.4Å; Q81-F91 HydrophobicContact CB-CE1 4.36Å; T82-F91 HydrophobicContact CG2-CB 3.82Å; T82-F91 HydrophobicContact CG2-CD1 4.1Å; T82-F91 HydrophobicContact CG2-CG 4.13Å; N87-F91 WeakPolarHBondContact O-CB 3.27Å; N87-F91 PolarHBondContact O-N 3.31Å; C88-F91 PolarHBondContact O-N 3.49Å; F91-I94 PolarHBondContact O-N 2.89Å; F91-N95 PolarHBondContact O-N 3.46Å; F91-N95 PolarHBondContact O-ND2 3.41Å; F91-M111 HydrophobicContact CD1-CE 4.29Å; F91-M111 HydrophobicContact CE1-CE 3.66Å; F91-M111 HydrophobicContact CZ-CE 4.3Å; F91-V113 HydrophobicContact CE2-CB 4.31Å; F91-V113 HydrophobicContact CE2-CG1 3.96Å; F91-V113 WeakPolarHBondContact CZ-O 3.45Å; F91-N115 HydrophobicContact CE1-CB 4.15Å; F91-N115 HydrophobicContact CE2-CB 3.96Å; F91-N115 HydrophobicContact CZ-CB 3.74Å
92	W	88.3	Confident	85.6	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-49.4	168.8	173.2	73.3	0	0	0	110.9	L31 L33 M50 I71 S74 F75 S78 C88 V89 I94 N95 V96	L31-W92 HydrophobicContact CD2-CH2 3.63Å; L31-W92 HydrophobicContact CD2-CZ2 3.63Å; L31-W92 HydrophobicContact CG-CH2 4.11Å; L31-W92 HydrophobicContact CG-CZ2 4.35Å; L33-W92 HydrophobicContact CB-CH2 3.78Å; L33-W92 HydrophobicContact CB-CZ2 4.21Å; L33-W92 HydrophobicContact CB-CZ3 4Å; L33-W92 HydrophobicContact CD2-CD2 3.89Å; L33-W92 HydrophobicContact CD2-CE3 3.84Å; L33-W92 HydrophobicContact CD2-CG 4.47Å; L33-W92 HydrophobicContact CD2-CH2 4.33Å; L33-W92 HydrophobicContact CD2-CZ2 4.39Å; L33-W92 HydrophobicContact CD2-CZ3 4.06Å; M50-W92 HydrophobicContact CE-CH2 4.08Å; M50-W92 HydrophobicContact CE-CZ2 3.43Å; M50-W92 VanDerWaalsContact CE-CZ2 3.43Å; M50-W92 HydrophobicContact SD-CH2 4.1Å; M50-W92 HydrophobicContact SD-CZ2 3.86Å; I71-W92 HydrophobicContact CG2-CZ2 3.94Å; I71-W92 PolarHBondContact O-NE1 3.27Å; S74-W92 VanDerWaalsContact OG-CD1 3.22Å; S74-W92 PolarHBondContact OG-NE1 3.02Å; F75-W92 VanDerWaalsContact CA-CD1 3.5Å; F75-W92 HydrophobicContact CB-CG 4.36Å; F75-W92 HydrophobicContact CD2-CG 4.49Å; S78-W92 WeakPolarHBondContact OG-CA 3.16Å; S78-W92 PolarHBondContact OG-N 3.5Å; C88-W92 VanDerWaalsContact O-CB 3.25Å; C88-W92 WeakPolarHBondContact O-CB 3.38Å; C88-W92 PolarHBondContact O-N 2.9Å; V89-W92 PolarHBondContact O-N 3.02Å; W92-I94 VanDerWaalsContact C-N 3.33Å; W92-I94 PolarHBondContact O-N 3.47Å; W92-N95 PolarHBondContact O-N 3.02Å; W92-V96 HydrophobicContact CD2-CG2 3.87Å; W92-V96 VanDerWaalsContact CE2-CG2 3.42Å; W92-V96 HydrophobicContact CE3-CG2 4.43Å; W92-V96 HydrophobicContact CG-CG2 4.29Å; W92-V96 HydrophobicContact CH2-CG2 4.26Å; W92-V96 HydrophobicContact CZ2-CG2 3.65Å; W92-V96 WeakPolarHBondContact O-CG2 3.4Å; W92-V96 PolarHBondContact O-N 3.12Å
93	K	86.8	Confident	85.9	Confident	53 Å²	53	40.8 Å²	40.8	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-52.1	-48.3	177.6	174.4	-174.9	176	-71.4	0	112.1	Y24 V89 L90 N95 V96 E97	Y24-K93 HydrophobicContact CD2-CG 4.44Å; V89-K93 WeakPolarHBondContact O-CB 3.4Å; V89-K93 PolarHBondContact O-N 3.3Å; L90-K93 WeakPolarHBondContact O-CB 3.17Å; L90-K93 PolarHBondContact O-N 3.4Å; K93-N95 VanDerWaalsContact C-N 3.31Å; K93-N95 PolarHBondContact O-N 3.29Å; K93-V96 PolarHBondContact O-N 2.82Å; K93-E97 VanDerWaalsContact CE-OE1 3.3Å; K93-E97 WeakPolarHBondContact CE-OE1 3.44Å; K93-E97 HydrophobicContact CG-CG 4.4Å; K93-E97 IonicContact NZ-OE1 3.48Å; K93-E97 PolarHBondContact NZ-OE1 3.27Å; K93-E97 IonicContact NZ-OE2 2.65Å; K93-E97 PolarHBondContact NZ-OE2 2.97Å; K93-E97 WeakPolarHBondContact O-CG 3.36Å; K93-E97 PolarHBondContact O-N 2.94Å
94	I	88.1	Confident	86.2	Confident	56 Å²	56	37.1 Å²	37.1	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-57.6	-45.7	179.1	-66.2	166.8	0	0	0	110.9	L90 F91 W92 E97 S98 V113	L90-I94 WeakPolarHBondContact O-CG1 3.23Å; L90-I94 PolarHBondContact O-N 2.79Å; F91-I94 PolarHBondContact O-N 2.89Å; W92-I94 VanDerWaalsContact C-N 3.33Å; W92-I94 PolarHBondContact O-N 3.47Å; I94-E97 PolarHBondContact O-N 3.09Å; I94-S98 PolarHBondContact O-N 3.14Å; I94-S98 PolarHBondContact O-OG 3.48Å; I94-S98 VanDerWaalsContact O-OG 3.11Å; I94-V113 HydrophobicContact CG2-CB 4.1Å; I94-V113 HydrophobicContact CG2-CG1 4.46Å; I94-V113 HydrophobicContact CG2-CG2 3.67Å
95	N	89.9	Confident	86.6	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-36.8	178.7	-81.7	-86.6	0	0	0	112.6	F70 F91 W92 K93 F99 M111 I112 V113	F70-N95 WeakPolarHBondContact CE1-O 3.39Å; F70-N95 HydrophobicContact CZ-CB 4.3Å; F91-N95 PolarHBondContact O-N 3.46Å; F91-N95 PolarHBondContact O-ND2 3.41Å; W92-N95 PolarHBondContact O-N 3.02Å; K93-N95 VanDerWaalsContact C-N 3.31Å; K93-N95 PolarHBondContact O-N 3.29Å; N95-F99 WeakPolarHBondContact O-CB 3.41Å; N95-F99 PolarHBondContact O-N 2.69Å; N95-M111 HydrophobicContact CB-CE 4.18Å; N95-M111 VanDerWaalsContact CG-CE 3.41Å; N95-M111 VanDerWaalsContact ND2-CE 3.27Å; N95-M111 WeakPolarHBondContact ND2-CE 3.47Å; N95-I112 PolarHBondContact OD1-N 2.87Å; N95-V113 PolarHBondContact ND2-O 2.85Å; N95-V113 PolarHBondContact OD1-N 2.93Å; N95-V113 PolarHBondContact OD1-O 3.18Å
96	V	86.3	Confident	87	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-55.3	171.9	177.9	0	0	0	0	109.4	L31 W67 I71 W92 K93 S98 F99 L100	L31-V96 HydrophobicContact CD2-CG1 3.97Å; L31-V96 HydrophobicContact CD2-CG2 4.47Å; W67-V96 HydrophobicContact CH2-CG1 4.04Å; I71-V96 HydrophobicContact CD1-CB 4.15Å; I71-V96 HydrophobicContact CD1-CG1 3.93Å; I71-V96 HydrophobicContact CD1-CG2 3.48Å; I71-V96 VanDerWaalsContact CD1-CG2 3.48Å; W92-V96 HydrophobicContact CD2-CG2 3.87Å; W92-V96 VanDerWaalsContact CE2-CG2 3.42Å; W92-V96 HydrophobicContact CE3-CG2 4.43Å; W92-V96 HydrophobicContact CG-CG2 4.29Å; W92-V96 HydrophobicContact CH2-CG2 4.26Å; W92-V96 HydrophobicContact CZ2-CG2 3.65Å; W92-V96 WeakPolarHBondContact O-CG2 3.4Å; W92-V96 PolarHBondContact O-N 3.12Å; K93-V96 PolarHBondContact O-N 2.82Å; V96-S98 PolarHBondContact O-N 3.5Å; V96-F99 WeakPolarHBondContact O-CA 3.19Å; V96-F99 WeakPolarHBondContact O-CB 3.48Å; V96-F99 PolarHBondContact O-N 3.43Å; V96-L100 HydrophobicContact CG1-CD1 4.15Å; V96-L100 HydrophobicContact CG1-CG 4.29Å; V96-L100 VanDerWaalsContact O-CG 3.3Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.95Å
97	E	84.8	Confident	87.5	Confident	50 Å²	50	36.5 Å²	36.5	23%	0.234	20%	0.201	C	C	.	.	H	α-helix	trans	-53.8	-49.3	-178.3	-76.7	176.5	146.3	0	0	112.9	Y24 K93 I94 F99 L100 E101	Y24-E97 HydrophobicContact CD2-CG 4.31Å; Y24-E97 HydrophobicContact CE2-CG 3.4Å; Y24-E97 WeakPolarHBondContact CE2-OE1 3.46Å; K93-E97 VanDerWaalsContact CE-OE1 3.3Å; K93-E97 WeakPolarHBondContact CE-OE1 3.44Å; K93-E97 HydrophobicContact CG-CG 4.4Å; K93-E97 IonicContact NZ-OE1 3.48Å; K93-E97 PolarHBondContact NZ-OE1 3.27Å; K93-E97 IonicContact NZ-OE2 2.65Å; K93-E97 PolarHBondContact NZ-OE2 2.97Å; K93-E97 WeakPolarHBondContact O-CG 3.36Å; K93-E97 PolarHBondContact O-N 2.94Å; I94-E97 PolarHBondContact O-N 3.09Å; E97-F99 VanDerWaalsContact C-N 3.25Å; E97-F99 PolarHBondContact O-N 3.36Å; E97-L100 WeakPolarHBondContact O-CB 3.22Å; E97-L100 PolarHBondContact O-N 2.89Å; E97-E101 WeakPolarHBondContact O-CG 3.16Å; E97-E101 PolarHBondContact O-N 2.94Å
98	S	87.1	Confident	87.9	Confident	16 Å²	16	35.3 Å²	35.3	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-33.1	178.7	-54.9	0	0	0	0	112.6	I94 V96 L100 E101 G102 V103 I112	I94-S98 PolarHBondContact O-N 3.14Å; I94-S98 PolarHBondContact O-OG 3.48Å; I94-S98 VanDerWaalsContact O-OG 3.11Å; V96-S98 PolarHBondContact O-N 3.5Å; S98-L100 VanDerWaalsContact C-N 3.31Å; S98-E101 PolarHBondContact O-N 3.36Å; S98-G102 PolarHBondContact O-N 2.97Å; S98-V103 VanDerWaalsContact O-CB 3.27Å; S98-V103 WeakPolarHBondContact O-CB 3.49Å; S98-V103 WeakPolarHBondContact O-CG2 3.26Å; S98-V103 PolarHBondContact O-N 3.11Å; S98-I112 VanDerWaalsContact CB-CG2 3.46Å
99	F	86.4	Confident	88.1	Confident	28 Å²	28	36.1 Å²	36.1	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-38.4	174.6	-172.6	-84.6	0	0	0	110.9	W67 F70 N95 V96 E97 E101 G102 I112	W67-F99 AromaticContact CE3-CD1 3.6Å; W67-F99 HydrophobicContact CE3-CD1 3.6Å; W67-F99 AromaticContact CE3-CE1 3.49Å; W67-F99 HydrophobicContact CE3-CE1 3.49Å; W67-F99 VanDerWaalsContact CE3-CE1 3.49Å; W67-F99 HydrophobicContact CE3-CZ 4.46Å; W67-F99 AromaticContact CZ3-CD1 3.66Å; W67-F99 HydrophobicContact CZ3-CD1 3.66Å; W67-F99 HydrophobicContact CZ3-CE1 4.06Å; F70-F99 HydrophobicContact CB-CD2 4.4Å; F70-F99 HydrophobicContact CB-CE2 4.09Å; F70-F99 HydrophobicContact CD1-CB 3.93Å; F70-F99 HydrophobicContact CD1-CD1 4.3Å; F70-F99 AromaticContact CD1-CD2 3.31Å; F70-F99 HydrophobicContact CD1-CD2 3.31Å; F70-F99 AromaticContact CD1-CE2 3.85Å; F70-F99 HydrophobicContact CD1-CE2 3.85Å; F70-F99 AromaticContact CD1-CG 3.57Å; F70-F99 HydrophobicContact CD1-CG 3.57Å; F70-F99 HydrophobicContact CD2-CD2 4.12Å; F70-F99 HydrophobicContact CD2-CE2 4.38Å; F70-F99 HydrophobicContact CE1-CB 3.38Å; F70-F99 AromaticContact CE1-CD2 3.49Å; F70-F99 HydrophobicContact CE1-CD2 3.49Å; F70-F99 VanDerWaalsContact CE1-CD2 3.49Å; F70-F99 HydrophobicContact CE1-CE2 4.43Å; F70-F99 AromaticContact CE1-CG 3.57Å; F70-F99 HydrophobicContact CE1-CG 3.57Å; F70-F99 HydrophobicContact CE2-CD2 4.25Å; F70-F99 AromaticContact CG-CD2 3.65Å; F70-F99 HydrophobicContact CG-CD2 3.65Å; F70-F99 AromaticContact CG-CE2 3.81Å; F70-F99 HydrophobicContact CG-CE2 3.81Å; F70-F99 HydrophobicContact CG-CG 4.36Å; F70-F99 HydrophobicContact CZ-CB 4.05Å; F70-F99 AromaticContact CZ-CD2 3.94Å; F70-F99 HydrophobicContact CZ-CD2 3.94Å; F70-F99 HydrophobicContact CZ-CG 4.34Å; N95-F99 WeakPolarHBondContact O-CB 3.41Å; N95-F99 PolarHBondContact O-N 2.69Å; V96-F99 WeakPolarHBondContact O-CA 3.19Å; V96-F99 WeakPolarHBondContact O-CB 3.48Å; V96-F99 PolarHBondContact O-N 3.43Å; E97-F99 VanDerWaalsContact C-N 3.25Å; E97-F99 PolarHBondContact O-N 3.36Å; F99-E101 VanDerWaalsContact C-N 3.26Å; F99-E101 PolarHBondContact O-N 3.49Å; F99-G102 PolarHBondContact O-N 3.44Å; F99-I112 HydrophobicContact CB-CD1 3.57Å; F99-I112 HydrophobicContact CD2-CD1 4.19Å; F99-I112 HydrophobicContact CG-CD1 4.38Å
100	L	80.7	Confident	88.4	Confident	37 Å²	37	40.2 Å²	40.2	19%	0.194	22%	0.22	C	C	.	.	H	α-helix	trans	-69.1	-27.3	177.7	-55.9	-172.2	0	0	0	113.2	Y24 L29 W62 W67 V96 E97 S98 G102	Y24-L100 HydrophobicContact CD1-CD1 4.18Å; Y24-L100 HydrophobicContact CE1-CD1 3.28Å; L29-L100 HydrophobicContact CD2-CD1 3.95Å; W62-L100 HydrophobicContact CD2-CD2 4.29Å; W62-L100 VanDerWaalsContact CE2-CD2 3.41Å; W62-L100 HydrophobicContact CH2-CD1 3.77Å; W62-L100 HydrophobicContact CH2-CD2 3.35Å; W62-L100 HydrophobicContact CH2-CG 4.13Å; W62-L100 HydrophobicContact CZ2-CD1 3.42Å; W62-L100 VanDerWaalsContact CZ2-CD1 3.42Å; W62-L100 HydrophobicContact CZ2-CD2 2.87Å; W62-L100 HydrophobicContact CZ2-CG 3.65Å; W62-L100 HydrophobicContact CZ3-CD2 4.29Å; W67-L100 HydrophobicContact CE3-CD2 4.3Å; W67-L100 HydrophobicContact CH2-CD2 3.81Å; W67-L100 HydrophobicContact CZ3-CD2 3.35Å; V96-L100 HydrophobicContact CG1-CD1 4.15Å; V96-L100 HydrophobicContact CG1-CG 4.29Å; V96-L100 VanDerWaalsContact O-CG 3.3Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.95Å; E97-L100 WeakPolarHBondContact O-CB 3.22Å; E97-L100 PolarHBondContact O-N 2.89Å; S98-L100 VanDerWaalsContact C-N 3.31Å; L100-G102 PolarHBondContact O-N 3.22Å
101	E	84.7	Confident	88.7	Confident	135 Å²	135	37.1 Å²	37.1	63%	0.631	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.2	171.3	-67.9	171.3	179.5	0	0	112.7	E97 S98 F99	E97-E101 WeakPolarHBondContact O-CG 3.16Å; E97-E101 PolarHBondContact O-N 2.94Å; S98-E101 PolarHBondContact O-N 3.36Å; F99-E101 VanDerWaalsContact C-N 3.26Å; F99-E101 PolarHBondContact O-N 3.49Å
102	G	85.4	Confident	88.9	Confident	61 Å²	61	36.6 Å²	36.6	63%	0.629	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	14.4	176.9	0	0	0	0	0	114.2	S98 F99 L100 E104	S98-G102 PolarHBondContact O-N 2.97Å; F99-G102 PolarHBondContact O-N 3.44Å; L100-G102 PolarHBondContact O-N 3.22Å; G102-E104 PolarHBondContact O-N 2.78Å
103	V	88.4	Confident	89	Confident	35 Å²	35	36.6 Å²	36.6	21%	0.212	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-75.6	124.1	175.4	-172.5	0	0	0	0	109.4	S98 I112 I123	S98-V103 VanDerWaalsContact O-CB 3.27Å; S98-V103 WeakPolarHBondContact O-CB 3.49Å; S98-V103 WeakPolarHBondContact O-CG2 3.26Å; S98-V103 PolarHBondContact O-N 3.11Å; V103-I112 HydrophobicContact CB-CD1 4.34Å; V103-I112 HydrophobicContact CB-CG2 3.93Å; V103-I112 HydrophobicContact CG1-CG2 3.48Å; V103-I112 VanDerWaalsContact CG1-CG2 3.48Å; V103-I112 WeakPolarHBondContact O-CD1 3.44Å; V103-I123 HydrophobicContact CG1-CB 4.24Å; V103-I123 HydrophobicContact CG1-CD1 4.35Å; V103-I123 HydrophobicContact CG1-CG2 4.43Å
104	E	89.6	Confident	88.6	Confident	76 Å²	76	34.8 Å²	34.8	36%	0.355	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-74.7	136.6	177.9	-71.5	175.9	-117.2	0	0	111.8	G102 P124 K134	G102-E104 PolarHBondContact O-N 2.78Å; E104-P124 WeakPolarHBondContact O-CG 3.48Å; E104-K134 HydrophobicContact CB-CD 4.22Å; E104-K134 WeakPolarHBondContact OE1-CE 3.1Å; E104-K134 IonicContact OE1-NZ 3.67Å; E104-K134 PolarHBondContact OE1-NZ 2.91Å
105	P	92.2	Very high	87.7	Confident	29 Å²	29	34.1 Å²	34.1	19%	0.188	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-70.4	155.3	177	29.5	-35.2	0	0	0	112.5	F70 C107 I112	F70-P105 HydrophobicContact CD2-CB 4.05Å; F70-P105 HydrophobicContact CD2-CG 4.04Å; F70-P105 HydrophobicContact CE2-CB 3.66Å; F70-P105 HydrophobicContact CE2-CG 4.1Å; P105-C107 PolarHBondContact O-N 3.2Å; P105-I112 HydrophobicContact CB-CG1 3.96Å
106	C	94	Very high	86.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-68.1	125.7	173	171	0	0	0	0	109.7	I108 C109 M110 M111 P124 K134 H136	C106-I108 PolarHBondContact O-N 3.04Å; C106-I108 VanDerWaalsContact O-N 3.09Å; C106-I108 PolarHBondContact SG-N 3.34Å; C106-I108 VanDerWaalsContact SG-N 3.45Å; C106-C109 PolarHBondContact O-N 3.47Å; C106-M110 WeakPolarHBondContact O-CA 3.35Å; C106-M110 PolarHBondContact O-N 2.98Å; C106-M111 PolarHBondContact N-O 3.09Å; C106-P124 HydrophobicContact CB-CB 3.98Å; C106-P124 HydrophobicContact CB-CG 3.71Å; C106-P124 VanDerWaalsContact N-CG 3.28Å; C106-K134 WeakPolarHBondContact CA-O 3.37Å; C106-H136 VanDerWaalsContact CB-CE1 3.49Å; C106-H136 WeakPolarHBondContact CB-CE1 3.39Å; C106-H136 VanDerWaalsContact CB-ND1 3.26Å; C106-H136 WeakPolarHBondContact CB-ND1 3.34Å; C106-H136 PolarHBondContact SG-N 3.49Å
107	C	93.1	Very high	84.9	Confident	24 Å²	24	41.3 Å²	41.3	16%	0.162	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.5	-177	-55	0	0	0	0	114.7	P105 M110 H133 K134 F135 M154	P105-C107 PolarHBondContact O-N 3.2Å; C107-M110 WeakPolarHBondContact O-CE 3.37Å; C107-H133 PolarHBondContact SG-CD2 3.38Å; C107-K134 PolarHBondContact N-O 3.08Å; C107-K134 VanDerWaalsContact N-O 3.17Å; C107-F135 HydrophobicContact CB-CD1 4.45Å; C107-F135 HydrophobicContact CB-CE1 3.85Å; C107-F135 HydrophobicContact CB-CZ 4.49Å; C107-M154 HydrophobicContact CB-CE 4.26Å; C107-M154 HydrophobicContact CB-CG 3.85Å; C107-M154 HydrophobicContact CB-SD 3.59Å; C107-M154 VanDerWaalsContact CB-SD 3.59Å
108	I	92.6	Very high	83.4	Confident	58 Å²	58	45.9 Å²	45.9	30%	0.297	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-52	175.9	-66.8	162.5	0	0	0	110.8	C106 F135 C139 W143 P153	C106-I108 PolarHBondContact O-N 3.04Å; C106-I108 VanDerWaalsContact O-N 3.09Å; C106-I108 PolarHBondContact SG-N 3.34Å; C106-I108 VanDerWaalsContact SG-N 3.45Å; I108-F135 HydrophobicContact CD1-CD1 3.58Å; I108-F135 HydrophobicContact CD1-CE1 4.22Å; I108-F135 HydrophobicContact CD1-CG 4.35Å; I108-F135 HydrophobicContact CG1-CD1 3.67Å; I108-F135 HydrophobicContact CG1-CE1 3.98Å; I108-C139 HydrophobicContact CB-CB 4.02Å; I108-C139 HydrophobicContact CD1-CB 3.82Å; I108-C139 HydrophobicContact CG2-CB 4.05Å; I108-W143 HydrophobicContact CD1-CB 4.13Å; I108-P153 HydrophobicContact CD1-CG 3.86Å; I108-P153 HydrophobicContact CG1-CB 4.23Å; I108-P153 HydrophobicContact CG1-CG 3.93Å
109	C	92.1	Very high	81.7	Confident	17 Å²	17	52.4 Å²	52.4	12%	0.115	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-10.8	-175.3	67	0	0	0	0	113.8	C106 M111 H136	C106-C109 PolarHBondContact O-N 3.47Å; C109-M111 PolarHBondContact O-N 3.4Å; C109-M111 PolarHBondContact SG-N 3.45Å; C109-H136 VanDerWaalsContact SG-CE1 3.54Å; C109-H136 PolarHBondContact SG-ND1 3.11Å; C109-H136 VanDerWaalsContact SG-ND1 3.38Å
110	M	92.1	Very high	80.2	Confident	89 Å²	89	56.8 Å²	56.8	44%	0.438	31%	0.307	S	S	.	.	S	Bend	trans	61.2	22.8	-174.6	-55.2	-61.9	-174	0	0	114.3	F70 V73 C106 C107	F70-M110 WeakPolarHBondContact CE2-O 3.38Å; V73-M110 HydrophobicContact CG1-CB 3.73Å; V73-M110 HydrophobicContact CG1-CG 4.48Å; C106-M110 WeakPolarHBondContact O-CA 3.35Å; C106-M110 PolarHBondContact O-N 2.98Å; C107-M110 WeakPolarHBondContact O-CE 3.37Å
111	M	92	Very high	79.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.323	C	S	.	.			trans	-115.4	152.3	177.5	-59.5	-61.4	-80.8	0	0	110.9	S74 K77 F91 N95 C106 C109 V113 H136	S74-M111 VanDerWaalsContact CA-SD 3.6Å; K77-M111 HydrophobicContact CB-CE 4.02Å; K77-M111 HydrophobicContact CB-CG 4.03Å; K77-M111 HydrophobicContact CB-SD 3.47Å; K77-M111 WeakPolarHBondContact CB-SD 3.32Å; K77-M111 HydrophobicContact CG-CG 4.27Å; K77-M111 HydrophobicContact CG-SD 3.95Å; F91-M111 HydrophobicContact CD1-CE 4.29Å; F91-M111 HydrophobicContact CE1-CE 3.66Å; F91-M111 HydrophobicContact CZ-CE 4.3Å; N95-M111 HydrophobicContact CB-CE 4.18Å; N95-M111 VanDerWaalsContact CG-CE 3.41Å; N95-M111 VanDerWaalsContact ND2-CE 3.27Å; N95-M111 WeakPolarHBondContact ND2-CE 3.47Å; C106-M111 PolarHBondContact N-O 3.09Å; C109-M111 PolarHBondContact O-N 3.4Å; C109-M111 PolarHBondContact SG-N 3.45Å; M111-V113 WeakPolarHBondContact CB-O 3.22Å; M111-H136 PolarHBondContact O-CE1 2.87Å
112	I	92.1	Very high	79.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-87.7	-47.6	171.5	-65.4	167.4	0	0	0	109.9	F70 N95 S98 F99 V103 P105 I123 P124 H136	F70-I112 HydrophobicContact CE1-CD1 4.31Å; F70-I112 HydrophobicContact CE2-CD1 4.37Å; F70-I112 HydrophobicContact CE2-CG1 4.26Å; F70-I112 HydrophobicContact CZ-CD1 3.69Å; F70-I112 HydrophobicContact CZ-CG1 3.95Å; N95-I112 PolarHBondContact OD1-N 2.87Å; S98-I112 VanDerWaalsContact CB-CG2 3.46Å; F99-I112 HydrophobicContact CB-CD1 3.57Å; F99-I112 HydrophobicContact CD2-CD1 4.19Å; F99-I112 HydrophobicContact CG-CD1 4.38Å; V103-I112 HydrophobicContact CB-CD1 4.34Å; V103-I112 HydrophobicContact CB-CG2 3.93Å; V103-I112 HydrophobicContact CG1-CG2 3.48Å; V103-I112 VanDerWaalsContact CG1-CG2 3.48Å; V103-I112 WeakPolarHBondContact O-CD1 3.44Å; P105-I112 HydrophobicContact CB-CG1 3.96Å; I112-I123 HydrophobicContact CG2-CG2 4.07Å; I112-P124 WeakPolarHBondContact O-CD 3.3Å; I112-H136 PolarHBondContact O-NE2 3.26Å
113	V	90	Very high	79.6	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.024	28%	0.283	C	S	.	.	S	Bend	trans	-106.9	139.8	172.2	-177.3	0	0	0	0	108.4	F91 I94 N95 M111 N121	F91-V113 HydrophobicContact CE2-CB 4.31Å; F91-V113 HydrophobicContact CE2-CG1 3.96Å; F91-V113 WeakPolarHBondContact CZ-O 3.45Å; I94-V113 HydrophobicContact CG2-CB 4.1Å; I94-V113 HydrophobicContact CG2-CG1 4.46Å; I94-V113 HydrophobicContact CG2-CG2 3.67Å; N95-V113 PolarHBondContact ND2-O 2.85Å; N95-V113 PolarHBondContact OD1-N 2.93Å; N95-V113 PolarHBondContact OD1-O 3.18Å; M111-V113 WeakPolarHBondContact CB-O 3.22Å; V113-N121 HydrophobicContact CG1-CB 4.3Å; V113-N121 WeakPolarHBondContact CG1-OD1 3.32Å
114	N	78.4	Confident	79.8	Confident	15 Å²	15	53.2 Å²	53.2	8%	0.08	28%	0.275	C	S	.	.			trans	-119.3	127.9	-176.8	-168.6	-10.2	0	0	0	110.1	L116 C139	N114-L116 PolarHBondContact O-N 3.11Å; N114-L116 VanDerWaalsContact O-N 3.13Å; N114-L116 VanDerWaalsContact OD1-CG 3.31Å; N114-L116 WeakPolarHBondContact OD1-CG 3.11Å; N114-L116 PolarHBondContact OD1-N 2.99Å; N114-C139 PolarHBondContact ND2-SG 3.34Å; N114-C139 VanDerWaalsContact ND2-SG 3.44Å
115	N	70.4	Confident	79.8	Confident	43 Å²	43	58 Å²	58	23%	0.23	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-78.5	8.8	-175.6	-159.9	21.5	0	0	0	113.7	Q81 F91 N117	Q81-N115 HydrophobicContact CB-CB 4.17Å; Q81-N115 PolarHBondContact O-ND2 3.32Å; F91-N115 HydrophobicContact CE1-CB 4.15Å; F91-N115 HydrophobicContact CE2-CB 3.96Å; F91-N115 HydrophobicContact CZ-CB 3.74Å; N115-N117 PolarHBondContact O-N 3.38Å
116	L	64.4	Low	79.8	Confident	87 Å²	87	59.8 Å²	59.8	46%	0.455	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-71.5	-10.5	-175.7	-75.6	174.9	0	0	0	114.4	N114 L138 K142	N114-L116 PolarHBondContact O-N 3.11Å; N114-L116 VanDerWaalsContact O-N 3.13Å; N114-L116 VanDerWaalsContact OD1-CG 3.31Å; N114-L116 WeakPolarHBondContact OD1-CG 3.11Å; N114-L116 PolarHBondContact OD1-N 2.99Å; L116-L138 HydrophobicContact CB-CD1 4.37Å; L116-K142 VanDerWaalsContact CD1-NZ 3.33Å
117	N	52.4	Low	79.9	Confident	64 Å²	64	62.5 Å²	62.5	34%	0.342	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-132.4	51.8	-176.5	-75.1	-11.6	0	0	0	113.6	N115 F119 D120 L138	N115-N117 PolarHBondContact O-N 3.38Å; N117-F119 VanDerWaalsContact C-N 3.35Å; N117-F119 PolarHBondContact O-N 3.38Å; N117-F119 VanDerWaalsContact O-N 3.09Å; N117-D120 HydrophobicContact CB-CB 4.27Å; N117-D120 PolarHBondContact O-N 2.69Å; N117-L138 VanDerWaalsContact CG-CD1 3.45Å; N117-L138 WeakPolarHBondContact ND2-CD1 3.37Å; N117-L138 WeakPolarHBondContact OD1-CD1 3.49Å
118	N	52.3	Low	80	Confident	146 Å²	146	61.4 Å²	61.4	78%	0.781	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	50.3	166.6	-67.3	-15.6	0	0	0	114.9	D120	N118-D120 VanDerWaalsContact C-N 3.28Å; N118-D120 PolarHBondContact O-N 2.65Å
119	F	51.7	Low	80	Confident	152 Å²	152	65.3 Å²	65.3	67%	0.667	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	7	-180	-48.4	-82.6	0	0	0	117.5	N117 N121	N117-F119 VanDerWaalsContact C-N 3.35Å; N117-F119 PolarHBondContact O-N 3.38Å; N117-F119 VanDerWaalsContact O-N 3.09Å; F119-N121 VanDerWaalsContact C-N 3.25Å; F119-N121 PolarHBondContact O-N 2.85Å; F119-N121 PolarHBondContact O-ND2 2.85Å
120	D	55.6	Low	80.1	Confident	121 Å²	121	68.6 Å²	68.6	65%	0.647	33%	0.329	S	S	*	.			trans	-67.4	96.2	161.1	-77.8	-23.4	0	0	0	107.4	N117 N118 E122	N117-D120 HydrophobicContact CB-CB 4.27Å; N117-D120 PolarHBondContact O-N 2.69Å; N118-D120 VanDerWaalsContact C-N 3.28Å; N118-D120 PolarHBondContact O-N 2.65Å; D120-E122 PolarHBondContact O-N 3.08Å
121	N	64.3	Low	80.3	Confident	97 Å²	97	66.1 Å²	66.1	52%	0.519	32%	0.32	S	S	.	.			trans	-66.2	60.4	-175.9	-65.5	-49.5	0	0	0	111.4	V113 F119 I123	V113-N121 HydrophobicContact CG1-CB 4.3Å; V113-N121 WeakPolarHBondContact CG1-OD1 3.32Å; F119-N121 VanDerWaalsContact C-N 3.25Å; F119-N121 PolarHBondContact O-N 2.85Å; F119-N121 PolarHBondContact O-ND2 2.85Å; N121-I123 PolarHBondContact O-N 3.47Å; N121-I123 VanDerWaalsContact O-N 3.11Å
122	E	83.1	Confident	80.4	Confident	48 Å²	48	72.5 Å²	72.5	22%	0.224	35%	0.347	C	S	.	.			trans	-66.2	114	173.8	-167.4	-166.9	177	0	0	108	D120 H136 S137	D120-E122 PolarHBondContact O-N 3.08Å; E122-H136 PolarHBondContact O-CD2 2.98Å; E122-H136 PolarHBondContact O-NE2 2.83Å; E122-H136 VanDerWaalsContact O-NE2 3.11Å; E122-S137 WeakPolarHBondContact OE1-CB 3.29Å; E122-S137 PolarHBondContact OE1-N 3.1Å; E122-S137 PolarHBondContact OE1-OG 3.25Å
123	I	90	Very high	80.5	Confident	42 Å²	42	74.7 Å²	74.7	22%	0.215	36%	0.357	C	S	.	.			trans	-86.9	158.8	168.7	63.4	171.8	0	0	0	110.8	V103 I112 N121 R125	V103-I123 HydrophobicContact CG1-CB 4.24Å; V103-I123 HydrophobicContact CG1-CD1 4.35Å; V103-I123 HydrophobicContact CG1-CG2 4.43Å; I112-I123 HydrophobicContact CG2-CG2 4.07Å; N121-I123 PolarHBondContact O-N 3.47Å; N121-I123 VanDerWaalsContact O-N 3.11Å; I123-R125 HydrophobicContact CG1-CG 4.06Å; I123-R125 PolarHBondContact O-N 3.38Å
124	P	92.6	Very high	80.7	Confident	5 Å²	5	77.5 Å²	77.5	3%	0.032	37%	0.369	C	S	.	.			trans	-69.6	102.2	-176.8	-16.6	33.6	0	0	0	110.7	E104 C106 I112 K134 F135	E104-P124 WeakPolarHBondContact O-CG 3.48Å; C106-P124 HydrophobicContact CB-CB 3.98Å; C106-P124 HydrophobicContact CB-CG 3.71Å; C106-P124 VanDerWaalsContact N-CG 3.28Å; I112-P124 WeakPolarHBondContact O-CD 3.3Å; P124-K134 HydrophobicContact CB-CB 3.82Å; P124-F135 CarbonylContact C-O 3.52Å; P124-F135 WeakPolarHBondContact CA-O 3.04Å
125	R	90.8	Very high	81.4	Confident	176 Å²	176	76.8 Å²	76.8	66%	0.664	37%	0.365	S	S	*	.			trans	-106.3	-28.9	-178.8	-66.4	179.8	-171.8	-90.5	1.7	113.5	I123 T127 F135	I123-R125 HydrophobicContact CG1-CG 4.06Å; I123-R125 PolarHBondContact O-N 3.38Å; R125-T127 PolarHBondContact O-N 3.04Å; R125-T127 PolarHBondContact O-OG1 3.2Å; R125-T127 VanDerWaalsContact O-OG1 3.08Å; R125-F135 PolarHBondContact N-O 2.61Å
126	K	93	Very high	82.5	Confident	68 Å²	68	74.7 Å²	74.7	30%	0.296	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	115.6	-179.1	-63.2	-56.9	-172.2	-178.6	0	108.8	K134 F135 L140 F159 N162	K126-K134 CarbonylContact O-C 3.48Å; K126-K134 WeakPolarHBondContact O-CA 3.48Å; K126-F135 PolarHBondContact N-O 2.84Å; K126-F135 VanDerWaalsContact N-O 3.1Å; K126-F135 WeakPolarHBondContact O-CD2 3.42Å; K126-F135 PolarHBondContact O-N 3.37Å; K126-L140 HydrophobicContact CB-CD2 3.91Å; K126-L140 HydrophobicContact CG-CD2 4.37Å; K126-F159 HydrophobicContact CB-CZ 4.42Å; K126-N162 PolarHBondContact NZ-O 3.36Å
127	T	94.6	Very high	83.7	Confident	56 Å²	56	72.2 Å²	72.2	34%	0.344	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.3	-169.4	-59.6	0	0	0	0	109.7	R125 R129 K132 H133 K134	R125-T127 PolarHBondContact O-N 3.04Å; R125-T127 PolarHBondContact O-OG1 3.2Å; R125-T127 VanDerWaalsContact O-OG1 3.08Å; T127-R129 PolarHBondContact O-N 3Å; T127-K132 WeakPolarHBondContact CG2-O 3.33Å; T127-H133 WeakPolarHBondContact CA-O 3.3Å; T127-K134 HydrophobicContact CG2-CG 4.49Å
128	C	94.8	Very high	85.5	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	34%	0.335	C	S	.	.			trans	-66.6	125.4	172.1	179	0	0	0	0	109.5	Q130 C131 K132 H133 F135 C152 C155 F159	C128-Q130 PolarHBondContact O-N 3.46Å; C128-Q130 PolarHBondContact SG-OE1 3.12Å; C128-C131 VanDerWaalsContact CB-SG 3.54Å; C128-K132 WeakPolarHBondContact O-CA 3.24Å; C128-K132 PolarHBondContact O-N 3.06Å; C128-H133 PolarHBondContact N-O 3.08Å; C128-F135 HydrophobicContact CB-CE2 4.33Å; C128-C152 HydrophobicContact CB-CB 4.47Å; C128-C155 VanDerWaalsContact SG-SG 3.67Å; C128-F159 HydrophobicContact CB-CD2 4.2Å; C128-F159 HydrophobicContact CB-CE2 3.73Å
129	R	93.9	Very high	87.4	Confident	141 Å²	141	63.9 Å²	63.9	53%	0.532	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.5	-179.2	-63.3	-176.2	179.5	-169.3	1	112.4	T127 K132 N162	T127-R129 PolarHBondContact O-N 3Å; R129-K132 WeakPolarHBondContact O-CE 3.37Å; R129-K132 PolarHBondContact O-NZ 2.95Å; R129-N162 VanDerWaalsContact CZ-OD1 3.3Å; R129-N162 PolarHBondContact NE-OD1 2.81Å; R129-N162 PolarHBondContact NH2-OD1 3.03Å
130	Q	94.4	Very high	89.3	Confident	86 Å²	86	56.8 Å²	56.8	40%	0.402	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-58.7	-173.9	-62.4	83.7	-30.2	0	0	111.4	C128 A157 N158	C128-Q130 PolarHBondContact O-N 3.46Å; C128-Q130 PolarHBondContact SG-OE1 3.12Å; Q130-A157 HydrophobicContact CB-CB 4.3Å; Q130-A157 HydrophobicContact CG-CB 3.88Å; Q130-N158 PolarHBondContact NE2-O 2.92Å
131	C	95.4	Very high	91	Very high	37 Å²	37	57.3 Å²	57.3	25%	0.25	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-0.1	-176.3	69.9	0	0	0	0	114.9	C128 H133 C155	C128-C131 VanDerWaalsContact CB-SG 3.54Å; C131-H133 PolarHBondContact O-N 2.88Å; C131-H133 PolarHBondContact O-ND1 3.35Å; C131-H133 PolarHBondContact SG-ND1 2.86Å; C131-C155 HydrophobicContact CB-CB 3.81Å; C131-C155 VanDerWaalsContact SG-SG 3.67Å
132	K	94.3	Very high	92.2	Very high	134 Å²	134	57.5 Å²	57.5	58%	0.583	26%	0.258	S	S	*	.			trans	60.6	-2.2	177.7	-49.6	-54.5	-172.2	-171.4	0	117.3	T127 C128 R129	T127-K132 WeakPolarHBondContact CG2-O 3.33Å; C128-K132 WeakPolarHBondContact O-CA 3.24Å; C128-K132 PolarHBondContact O-N 3.06Å; R129-K132 WeakPolarHBondContact O-CE 3.37Å; R129-K132 PolarHBondContact O-NZ 2.95Å
133	H	94.4	Very high	92.7	Very high	45 Å²	45	59.9 Å²	59.9	21%	0.208	27%	0.265	C	S	.	.			trans	-55.7	143.2	169.2	-68.2	111	0	0	0	112.5	C107 T127 C128 C131 F135 M154	C107-H133 PolarHBondContact SG-CD2 3.38Å; T127-H133 WeakPolarHBondContact CA-O 3.3Å; C128-H133 PolarHBondContact N-O 3.08Å; C131-H133 PolarHBondContact O-N 2.88Å; C131-H133 PolarHBondContact O-ND1 3.35Å; C131-H133 PolarHBondContact SG-ND1 2.86Å; H133-F135 HydrophobicContact CB-CE2 4.12Å; H133-F135 HydrophobicContact CB-CZ 3.91Å; H133-F135 VanDerWaalsContact O-CE2 3.29Å; H133-F135 WeakPolarHBondContact O-CE2 3.26Å; H133-M154 HydrophobicContact CB-CB 4.4Å; H133-M154 HydrophobicContact CB-CG 3.94Å
134	K	94.1	Very high	92.8	Very high	63 Å²	63	59.4 Å²	59.4	27%	0.274	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150.2	-174.8	-54.8	-169.9	-172.2	175.7	0	112.5	E104 C106 C107 P124 K126 T127	E104-K134 HydrophobicContact CB-CD 4.22Å; E104-K134 WeakPolarHBondContact OE1-CE 3.1Å; E104-K134 IonicContact OE1-NZ 3.67Å; E104-K134 PolarHBondContact OE1-NZ 2.91Å; C106-K134 WeakPolarHBondContact CA-O 3.37Å; C107-K134 PolarHBondContact N-O 3.08Å; C107-K134 VanDerWaalsContact N-O 3.17Å; P124-K134 HydrophobicContact CB-CB 3.82Å; K126-K134 CarbonylContact O-C 3.48Å; K126-K134 WeakPolarHBondContact O-CA 3.48Å; T127-K134 HydrophobicContact CG2-CG 4.49Å
135	F	93.9	Very high	92.8	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.4	-176	-49.9	-83.7	0	0	0	111.9	C107 I108 P124 R125 K126 C128 H133 L140 P153 M154 F159	C107-F135 HydrophobicContact CB-CD1 4.45Å; C107-F135 HydrophobicContact CB-CE1 3.85Å; C107-F135 HydrophobicContact CB-CZ 4.49Å; I108-F135 HydrophobicContact CD1-CD1 3.58Å; I108-F135 HydrophobicContact CD1-CE1 4.22Å; I108-F135 HydrophobicContact CD1-CG 4.35Å; I108-F135 HydrophobicContact CG1-CD1 3.67Å; I108-F135 HydrophobicContact CG1-CE1 3.98Å; P124-F135 CarbonylContact C-O 3.52Å; P124-F135 WeakPolarHBondContact CA-O 3.04Å; R125-F135 PolarHBondContact N-O 2.61Å; K126-F135 PolarHBondContact N-O 2.84Å; K126-F135 VanDerWaalsContact N-O 3.1Å; K126-F135 WeakPolarHBondContact O-CD2 3.42Å; K126-F135 PolarHBondContact O-N 3.37Å; C128-F135 HydrophobicContact CB-CE2 4.33Å; H133-F135 HydrophobicContact CB-CE2 4.12Å; H133-F135 HydrophobicContact CB-CZ 3.91Å; H133-F135 VanDerWaalsContact O-CE2 3.29Å; H133-F135 WeakPolarHBondContact O-CE2 3.26Å; F135-L140 HydrophobicContact CB-CB 4.11Å; F135-L140 HydrophobicContact CB-CD1 4.38Å; F135-L140 HydrophobicContact CD2-CD1 4.32Å; F135-L140 HydrophobicContact CG-CD1 4.19Å; F135-P153 HydrophobicContact CD1-CG 4.28Å; F135-P153 HydrophobicContact CE1-CB 4.14Å; F135-P153 HydrophobicContact CE1-CG 3.71Å; F135-P153 HydrophobicContact CZ-CG 4.1Å; F135-M154 HydrophobicContact CE1-CG 4.09Å; F135-M154 HydrophobicContact CZ-CG 3.8Å; F135-F159 AromaticContact CD2-CE2 3.83Å; F135-F159 HydrophobicContact CD2-CE2 3.83Å; F135-F159 HydrophobicContact CD2-CZ 4.1Å; F135-F159 AromaticContact CE2-CE2 3.73Å; F135-F159 HydrophobicContact CE2-CE2 3.73Å; F135-F159 HydrophobicContact CE2-CZ 4.42Å
136	H	92.5	Very high	92.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.292	C	S	.	.			trans	-65.4	144.4	162.2	-58.8	117.2	0	0	0	109.6	C106 C109 M111 I112 E122 L138 C139 L140	C106-H136 VanDerWaalsContact CB-CE1 3.49Å; C106-H136 WeakPolarHBondContact CB-CE1 3.39Å; C106-H136 VanDerWaalsContact CB-ND1 3.26Å; C106-H136 WeakPolarHBondContact CB-ND1 3.34Å; C106-H136 PolarHBondContact SG-N 3.49Å; C109-H136 VanDerWaalsContact SG-CE1 3.54Å; C109-H136 PolarHBondContact SG-ND1 3.11Å; C109-H136 VanDerWaalsContact SG-ND1 3.38Å; M111-H136 PolarHBondContact O-CE1 2.87Å; I112-H136 PolarHBondContact O-NE2 3.26Å; E122-H136 PolarHBondContact O-CD2 2.98Å; E122-H136 PolarHBondContact O-NE2 2.83Å; E122-H136 VanDerWaalsContact O-NE2 3.11Å; H136-L138 PolarHBondContact O-N 2.79Å; H136-C139 HydrophobicContact CB-CB 3.98Å; H136-C139 PolarHBondContact O-N 3.17Å; H136-L140 WeakPolarHBondContact O-CB 3.42Å; H136-L140 PolarHBondContact O-N 2.95Å
137	S	90.9	Very high	92.5	Very high	34 Å²	34	62 Å²	62	24%	0.238	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-39.1	177.8	-54.9	0	0	0	0	111	E122 R141	E122-S137 WeakPolarHBondContact OE1-CB 3.29Å; E122-S137 PolarHBondContact OE1-N 3.1Å; E122-S137 PolarHBondContact OE1-OG 3.25Å; S137-R141 WeakPolarHBondContact O-CB 3.35Å; S137-R141 PolarHBondContact O-N 2.97Å
138	L	89.4	Confident	91.9	Very high	28 Å²	28	66.7 Å²	66.7	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-43.7	176	-74.4	-172	0	0	0	114.1	L116 N117 H136 L140 R141 K142	L116-L138 HydrophobicContact CB-CD1 4.37Å; N117-L138 VanDerWaalsContact CG-CD1 3.45Å; N117-L138 WeakPolarHBondContact ND2-CD1 3.37Å; N117-L138 WeakPolarHBondContact OD1-CD1 3.49Å; H136-L138 PolarHBondContact O-N 2.79Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 3.17Å; L138-R141 PolarHBondContact O-N 2.86Å; L138-K142 WeakPolarHBondContact O-CB 3.38Å; L138-K142 WeakPolarHBondContact O-CG 3.4Å; L138-K142 PolarHBondContact O-N 3Å
139	C	91.8	Very high	91.4	Very high	8 Å²	8	69.3 Å²	69.3	5%	0.054	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-46.1	178	-68.7	0	0	0	0	110.3	I108 N114 H136 K142 W143	I108-C139 HydrophobicContact CB-CB 4.02Å; I108-C139 HydrophobicContact CD1-CB 3.82Å; I108-C139 HydrophobicContact CG2-CB 4.05Å; N114-C139 PolarHBondContact ND2-SG 3.34Å; N114-C139 VanDerWaalsContact ND2-SG 3.44Å; H136-C139 HydrophobicContact CB-CB 3.98Å; H136-C139 PolarHBondContact O-N 3.17Å; C139-K142 PolarHBondContact O-N 3.41Å; C139-W143 WeakPolarHBondContact O-CB 3.27Å; C139-W143 PolarHBondContact O-N 3.34Å
140	L	92	Very high	91.3	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-42	178.6	-168.6	66.1	0	0	0	111.9	K126 F135 H136 L138 K142 W143 F144 P153 F159 L161	K126-L140 HydrophobicContact CB-CD2 3.91Å; K126-L140 HydrophobicContact CG-CD2 4.37Å; F135-L140 HydrophobicContact CB-CB 4.11Å; F135-L140 HydrophobicContact CB-CD1 4.38Å; F135-L140 HydrophobicContact CD2-CD1 4.32Å; F135-L140 HydrophobicContact CG-CD1 4.19Å; H136-L140 WeakPolarHBondContact O-CB 3.42Å; H136-L140 PolarHBondContact O-N 2.95Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 3.17Å; L140-K142 PolarHBondContact O-N 3.42Å; L140-W143 WeakPolarHBondContact O-CB 3.45Å; L140-W143 PolarHBondContact O-N 3.02Å; L140-F144 HydrophobicContact CD1-CE1 3.83Å; L140-F144 HydrophobicContact CD1-CE2 4.1Å; L140-F144 HydrophobicContact CD1-CZ 3.52Å; L140-F144 HydrophobicContact CD2-CE2 3.89Å; L140-F144 HydrophobicContact CD2-CZ 3.94Å; L140-F144 HydrophobicContact CG-CD2 4.24Å; L140-F144 HydrophobicContact CG-CE1 4.24Å; L140-F144 HydrophobicContact CG-CE2 3.6Å; L140-F144 HydrophobicContact CG-CZ 3.58Å; L140-F144 WeakPolarHBondContact O-CG 3.36Å; L140-F144 PolarHBondContact O-N 3.3Å; L140-P153 HydrophobicContact CD1-CG 4.3Å; L140-F159 HydrophobicContact CD1-CD2 4.48Å; L140-F159 HydrophobicContact CD1-CE2 4.32Å; L140-F159 HydrophobicContact CD1-CZ 4.48Å; L140-F159 HydrophobicContact CD2-CD1 4.01Å; L140-F159 HydrophobicContact CD2-CE1 3.49Å; L140-F159 VanDerWaalsContact CD2-CE1 3.49Å; L140-F159 HydrophobicContact CD2-CE2 4.3Å; L140-F159 HydrophobicContact CD2-CZ 3.66Å; L140-L161 HydrophobicContact CD2-CD2 3.92Å
141	R	90.2	Very high	91.3	Very high	132 Å²	132	63.6 Å²	63.6	50%	0.498	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-42.6	175.6	-167.1	-169.8	-46	170.5	7.5	112.1	S137 L138 W143 F144 R145	S137-R141 WeakPolarHBondContact O-CB 3.35Å; S137-R141 PolarHBondContact O-N 2.97Å; L138-R141 PolarHBondContact O-N 2.86Å; R141-W143 VanDerWaalsContact C-N 3.35Å; R141-F144 PolarHBondContact O-N 3.45Å; R141-R145 WeakPolarHBondContact O-CG 3.03Å; R141-R145 PolarHBondContact O-N 2.98Å; R141-R145 VanDerWaalsContact O-N 3.14Å
142	K	90.9	Very high	91.3	Very high	101 Å²	101	61.9 Å²	61.9	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-46.4	174.4	-78.6	179.3	178.4	-172.4	0	110.7	L116 L138 C139 L140 R145 S146	L116-K142 VanDerWaalsContact CD1-NZ 3.33Å; L138-K142 WeakPolarHBondContact O-CB 3.38Å; L138-K142 WeakPolarHBondContact O-CG 3.4Å; L138-K142 PolarHBondContact O-N 3Å; C139-K142 PolarHBondContact O-N 3.41Å; L140-K142 PolarHBondContact O-N 3.42Å; K142-R145 VanDerWaalsContact CG-NH2 3.27Å; K142-R145 PolarHBondContact O-N 3.43Å; K142-S146 PolarHBondContact O-N 3.48Å; K142-S146 PolarHBondContact O-OG 3.15Å
143	W	92.7	Very high	91.3	Very high	98 Å²	98	56.7 Å²	56.7	37%	0.371	29%	0.294	S	S	.	.	H	α-helix	trans	-57.6	-50.2	177	178.1	-93.9	0	0	0	112.6	I108 C139 L140 R141 R145 S146 A147 T151 P153	I108-W143 HydrophobicContact CD1-CB 4.13Å; C139-W143 WeakPolarHBondContact O-CB 3.27Å; C139-W143 PolarHBondContact O-N 3.34Å; L140-W143 WeakPolarHBondContact O-CB 3.45Å; L140-W143 PolarHBondContact O-N 3.02Å; R141-W143 VanDerWaalsContact C-N 3.35Å; W143-R145 VanDerWaalsContact C-N 3.3Å; W143-R145 PolarHBondContact O-N 3.03Å; W143-S146 PolarHBondContact O-N 3.29Å; W143-S146 VanDerWaalsContact O-N 3.13Å; W143-S146 PolarHBondContact O-OG 3.02Å; W143-A147 WeakPolarHBondContact O-CB 3.4Å; W143-A147 PolarHBondContact O-N 3.27Å; W143-A147 VanDerWaalsContact O-N 3.08Å; W143-T151 PolarHBondContact NE1-O 2.96Å; W143-P153 HydrophobicContact CD2-CB 4.05Å; W143-P153 HydrophobicContact CD2-CG 3.89Å; W143-P153 HydrophobicContact CE3-CB 4.43Å; W143-P153 HydrophobicContact CG-CG 3.88Å; W143-P153 HydrophobicContact CH2-CB 4.3Å; W143-P153 HydrophobicContact CZ2-CB 3.9Å; W143-P153 HydrophobicContact CZ2-CG 4.44Å
144	F	93.4	Very high	91.4	Very high	32 Å²	32	58.8 Å²	58.8	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-33.2	180	-66.5	-24	0	0	0	113.5	L140 R141 S146 A147 T150 F159 L161	L140-F144 HydrophobicContact CD1-CE1 3.83Å; L140-F144 HydrophobicContact CD1-CE2 4.1Å; L140-F144 HydrophobicContact CD1-CZ 3.52Å; L140-F144 HydrophobicContact CD2-CE2 3.89Å; L140-F144 HydrophobicContact CD2-CZ 3.94Å; L140-F144 HydrophobicContact CG-CD2 4.24Å; L140-F144 HydrophobicContact CG-CE1 4.24Å; L140-F144 HydrophobicContact CG-CE2 3.6Å; L140-F144 HydrophobicContact CG-CZ 3.58Å; L140-F144 WeakPolarHBondContact O-CG 3.36Å; L140-F144 PolarHBondContact O-N 3.3Å; R141-F144 PolarHBondContact O-N 3.45Å; F144-S146 VanDerWaalsContact C-N 3.27Å; F144-S146 PolarHBondContact O-N 3.09Å; F144-A147 PolarHBondContact O-N 3.21Å; F144-T150 HydrophobicContact CD1-CG2 4.39Å; F144-T150 HydrophobicContact CD2-CG2 4.23Å; F144-T150 HydrophobicContact CG-CG2 4.15Å; F144-F159 HydrophobicContact CE1-CB 4.2Å; F144-F159 HydrophobicContact CE2-CD1 4.46Å; F144-F159 HydrophobicContact CZ-CB 3.69Å; F144-F159 AromaticContact CZ-CD1 3.91Å; F144-F159 HydrophobicContact CZ-CD1 3.91Å; F144-F159 AromaticContact CZ-CG 3.78Å; F144-F159 HydrophobicContact CZ-CG 3.78Å; F144-L161 HydrophobicContact CE2-CD1 4.46Å; F144-L161 HydrophobicContact CE2-CD2 4.27Å; F144-L161 HydrophobicContact CE2-CG 4.46Å
145	R	91.7	Very high	91.5	Very high	169 Å²	169	58.2 Å²	58.2	64%	0.638	31%	0.308	S	S	*	.	H	α-helix	trans	-66.7	-28.9	175.6	-75.1	-172	-61.3	-121.3	2.8	113.4	R141 K142 W143	R141-R145 WeakPolarHBondContact O-CG 3.03Å; R141-R145 PolarHBondContact O-N 2.98Å; R141-R145 VanDerWaalsContact O-N 3.14Å; K142-R145 VanDerWaalsContact CG-NH2 3.27Å; K142-R145 PolarHBondContact O-N 3.43Å; W143-R145 VanDerWaalsContact C-N 3.3Å; W143-R145 PolarHBondContact O-N 3.03Å
146	S	89.3	Confident	91.5	Very high	100 Å²	100	68.3 Å²	68.3	70%	0.699	35%	0.346	S	S	*	.	H	α-helix	trans	-90.8	-10.2	176.6	52.9	0	0	0	0	113.8	K142 W143 F144	K142-S146 PolarHBondContact O-N 3.48Å; K142-S146 PolarHBondContact O-OG 3.15Å; W143-S146 PolarHBondContact O-N 3.29Å; W143-S146 VanDerWaalsContact O-N 3.13Å; W143-S146 PolarHBondContact O-OG 3.02Å; F144-S146 VanDerWaalsContact C-N 3.27Å; F144-S146 PolarHBondContact O-N 3.09Å
147	A	87.3	Confident	91.6	Very high	34 Å²	34	69.8 Å²	69.8	28%	0.281	36%	0.358	S	S	.	.	S	Bend	trans	-99.2	151	-176.5	0	0	0	0	0	111.2	W143 F144 S149	W143-A147 WeakPolarHBondContact O-CB 3.4Å; W143-A147 PolarHBondContact O-N 3.27Å; W143-A147 VanDerWaalsContact O-N 3.08Å; F144-A147 PolarHBondContact O-N 3.21Å; A147-S149 WeakPolarHBondContact CB-O 3.24Å; A147-S149 PolarHBondContact O-N 3.46Å
148	T	83.6	Confident	91.6	Very high	154 Å²	154	72.4 Å²	72.4	95%	0.945	37%	0.37	S	S	*	.	S	Bend	trans	-74	-16.3	175.3	52.2	0	0	0	0	113.1
149	S	84.3	Confident	91.8	Very high	56 Å²	56	71.6 Å²	71.6	39%	0.392	37%	0.365	S	S	.	.	S	Bend	trans	-148.8	157.8	179.1	65.7	0	0	0	0	111.9	A147 T151	A147-S149 WeakPolarHBondContact CB-O 3.24Å; A147-S149 PolarHBondContact O-N 3.46Å; S149-T151 VanDerWaalsContact C-N 3.28Å; S149-T151 PolarHBondContact O-N 2.76Å; S149-T151 WeakPolarHBondContact OG-CG2 3.49Å
150	T	91.7	Very high	91.4	Very high	79 Å²	79	77.3 Å²	77.3	49%	0.485	39%	0.387	S	S	.	.			trans	-81.2	71.4	177.7	53.2	0	0	0	0	111.3	F144 F159	F144-T150 HydrophobicContact CD1-CG2 4.39Å; F144-T150 HydrophobicContact CD2-CG2 4.23Å; F144-T150 HydrophobicContact CG-CG2 4.15Å; T150-F159 PolarHBondContact O-N 3.48Å
151	T	94.4	Very high	90.4	Very high	28 Å²	28	82.4 Å²	82.4	17%	0.172	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-112.6	149.3	-179.5	51.5	0	0	0	0	112	W143 S149 R156 A157	W143-T151 PolarHBondContact NE1-O 2.96Å; S149-T151 VanDerWaalsContact C-N 3.28Å; S149-T151 PolarHBondContact O-N 2.76Å; S149-T151 WeakPolarHBondContact OG-CG2 3.49Å; T151-R156 WeakPolarHBondContact CB-O 3.18Å; T151-R156 VanDerWaalsContact CG2-O 3.26Å; T151-R156 WeakPolarHBondContact CG2-O 3.4Å; T151-A157 CarbonylContact C-O 3.59Å; T151-A157 WeakPolarHBondContact CA-O 3.45Å
152	C	95.2	Very high	88.9	Confident	1 Å²	1	83.6 Å²	83.6	1%	0.007	43%	0.429	C	S	.	.			trans	-59.4	128.6	179.8	-179.9	0	0	0	0	110.9	C128 M154 C155 R156 A157 F159	C128-C152 HydrophobicContact CB-CB 4.47Å; C152-M154 PolarHBondContact O-N 3.08Å; C152-M154 VanDerWaalsContact O-N 3.08Å; C152-M154 PolarHBondContact SG-N 3.18Å; C152-C155 VanDerWaalsContact CB-SG 3.57Å; C152-R156 WeakPolarHBondContact O-CA 3.37Å; C152-R156 PolarHBondContact O-N 3.31Å; C152-A157 PolarHBondContact N-O 3.35Å; C152-F159 HydrophobicContact CB-CD2 3.91Å
153	P	94.7	Very high	88.8	Confident	26 Å²	26	82.7 Å²	82.7	17%	0.169	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.9	177.3	-20.6	26.6	0	0	0	113.9	I108 F135 L140 W143	I108-P153 HydrophobicContact CD1-CG 3.86Å; I108-P153 HydrophobicContact CG1-CB 4.23Å; I108-P153 HydrophobicContact CG1-CG 3.93Å; F135-P153 HydrophobicContact CD1-CG 4.28Å; F135-P153 HydrophobicContact CE1-CB 4.14Å; F135-P153 HydrophobicContact CE1-CG 3.71Å; F135-P153 HydrophobicContact CZ-CG 4.1Å; L140-P153 HydrophobicContact CD1-CG 4.3Å; W143-P153 HydrophobicContact CD2-CB 4.05Å; W143-P153 HydrophobicContact CD2-CG 3.89Å; W143-P153 HydrophobicContact CE3-CB 4.43Å; W143-P153 HydrophobicContact CG-CG 3.88Å; W143-P153 HydrophobicContact CH2-CB 4.3Å; W143-P153 HydrophobicContact CZ2-CB 3.9Å; W143-P153 HydrophobicContact CZ2-CG 4.44Å
154	M	94.8	Very high	88.6	Confident	88 Å²	88	81.9 Å²	81.9	43%	0.433	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-45	-173.8	-59.2	-55.9	-67.1	0	0	113.3	C107 H133 F135 C152	C107-M154 HydrophobicContact CB-CE 4.26Å; C107-M154 HydrophobicContact CB-CG 3.85Å; C107-M154 HydrophobicContact CB-SD 3.59Å; C107-M154 VanDerWaalsContact CB-SD 3.59Å; H133-M154 HydrophobicContact CB-CB 4.4Å; H133-M154 HydrophobicContact CB-CG 3.94Å; F135-M154 HydrophobicContact CE1-CG 4.09Å; F135-M154 HydrophobicContact CZ-CG 3.8Å; C152-M154 PolarHBondContact O-N 3.08Å; C152-M154 VanDerWaalsContact O-N 3.08Å; C152-M154 PolarHBondContact SG-N 3.18Å
155	C	95.9	Very high	88.3	Confident	51 Å²	51	84.7 Å²	84.7	35%	0.345	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-1.7	-175.5	71.7	0	0	0	0	114.8	C128 C131 C152 A157	C128-C155 VanDerWaalsContact SG-SG 3.67Å; C131-C155 HydrophobicContact CB-CB 3.81Å; C131-C155 VanDerWaalsContact SG-SG 3.67Å; C152-C155 VanDerWaalsContact CB-SG 3.57Å; C155-A157 PolarHBondContact O-N 3.2Å
156	R	94.1	Very high	88.1	Confident	212 Å²	212	79.7 Å²	79.7	80%	0.8	44%	0.437	S	S	*	.			trans	59	3.8	-179	-53.9	-176.6	-179.8	-175.3	-0.1	116.4	T151 C152	T151-R156 WeakPolarHBondContact CB-O 3.18Å; T151-R156 VanDerWaalsContact CG2-O 3.26Å; T151-R156 WeakPolarHBondContact CG2-O 3.4Å; C152-R156 WeakPolarHBondContact O-CA 3.37Å; C152-R156 PolarHBondContact O-N 3.31Å
157	A	94.5	Very high	88.1	Confident	31 Å²	31	78.4 Å²	78.4	26%	0.256	42%	0.42	S	S	.	.	S	Bend	trans	-67.7	153.5	170.7	0	0	0	0	0	111.4	Q130 T151 C152 C155 F159	Q130-A157 HydrophobicContact CB-CB 4.3Å; Q130-A157 HydrophobicContact CG-CB 3.88Å; T151-A157 CarbonylContact C-O 3.59Å; T151-A157 WeakPolarHBondContact CA-O 3.45Å; C152-A157 PolarHBondContact N-O 3.35Å; C155-A157 PolarHBondContact O-N 3.2Å; A157-F159 PolarHBondContact O-N 3.36Å
158	N	92.7	Very high	88.1	Confident	90 Å²	90	81.4 Å²	81.4	48%	0.481	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-52.6	127.2	174.7	-73.6	-18.3	0	0	0	110.9	Q130 Y160	Q130-N158 PolarHBondContact NE2-O 2.92Å; N158-Y160 HydrophobicContact CB-CE1 4.3Å; N158-Y160 HydrophobicContact CB-CE2 4Å; N158-Y160 WeakPolarHBondContact O-CE2 3.37Å
159	F	92.2	Very high	88.4	Confident	11 Å²	11	76.2 Å²	76.2	5%	0.048	39%	0.393	C	S	.	.			trans	-97	104.3	-177.8	-159.8	-72.6	0	0	0	109.7	K126 C128 F135 L140 F144 T150 C152 A157 L161	K126-F159 HydrophobicContact CB-CZ 4.42Å; C128-F159 HydrophobicContact CB-CD2 4.2Å; C128-F159 HydrophobicContact CB-CE2 3.73Å; F135-F159 AromaticContact CD2-CE2 3.83Å; F135-F159 HydrophobicContact CD2-CE2 3.83Å; F135-F159 HydrophobicContact CD2-CZ 4.1Å; F135-F159 AromaticContact CE2-CE2 3.73Å; F135-F159 HydrophobicContact CE2-CE2 3.73Å; F135-F159 HydrophobicContact CE2-CZ 4.42Å; L140-F159 HydrophobicContact CD1-CD2 4.48Å; L140-F159 HydrophobicContact CD1-CE2 4.32Å; L140-F159 HydrophobicContact CD1-CZ 4.48Å; L140-F159 HydrophobicContact CD2-CD1 4.01Å; L140-F159 HydrophobicContact CD2-CE1 3.49Å; L140-F159 VanDerWaalsContact CD2-CE1 3.49Å; L140-F159 HydrophobicContact CD2-CE2 4.3Å; L140-F159 HydrophobicContact CD2-CZ 3.66Å; F144-F159 HydrophobicContact CE1-CB 4.2Å; F144-F159 HydrophobicContact CE2-CD1 4.46Å; F144-F159 HydrophobicContact CZ-CB 3.69Å; F144-F159 AromaticContact CZ-CD1 3.91Å; F144-F159 HydrophobicContact CZ-CD1 3.91Å; F144-F159 AromaticContact CZ-CG 3.78Å; F144-F159 HydrophobicContact CZ-CG 3.78Å; T150-F159 PolarHBondContact O-N 3.48Å; C152-F159 HydrophobicContact CB-CD2 3.91Å; A157-F159 PolarHBondContact O-N 3.36Å; F159-L161 HydrophobicContact CD1-CD2 4.13Å; F159-L161 HydrophobicContact CE1-CD2 4.01Å; F159-L161 PolarHBondContact O-N 2.64Å
160	Y	83.2	Confident	88.8	Confident	128 Å²	128	77.8 Å²	77.8	50%	0.502	39%	0.393	S	S	.	.			trans	-84	113.8	175.8	-53.5	-76	0	0	0	109	N158 N162	N158-Y160 HydrophobicContact CB-CE1 4.3Å; N158-Y160 HydrophobicContact CB-CE2 4Å; N158-Y160 WeakPolarHBondContact O-CE2 3.37Å; Y160-N162 PolarHBondContact O-N 3.2Å
161	L	71.4	Confident	88.5	Confident	110 Å²	110	77.7 Å²	77.7	58%	0.576	39%	0.385	S	S	*	.			trans	-71.7	117.8	171.6	-68.3	172	0	0	0	108.2	L140 F144 F159	L140-L161 HydrophobicContact CD2-CD2 3.92Å; F144-L161 HydrophobicContact CE2-CD1 4.46Å; F144-L161 HydrophobicContact CE2-CD2 4.27Å; F144-L161 HydrophobicContact CE2-CG 4.46Å; F159-L161 HydrophobicContact CD1-CD2 4.13Å; F159-L161 HydrophobicContact CE1-CD2 4.01Å; F159-L161 PolarHBondContact O-N 2.64Å
162	N	59.1	Low	88	Confident	156 Å²	156	82.2 Å²	82.2	83%	0.834	41%	0.405	S	S	*	.			trans	-81.5	0	157.4	-59.9	10.2	0	0	0	109.4	K126 R129 Y160	K126-N162 PolarHBondContact NZ-O 3.36Å; R129-N162 VanDerWaalsContact CZ-OD1 3.3Å; R129-N162 PolarHBondContact NE-OD1 2.81Å; R129-N162 PolarHBondContact NH2-OD1 3.03Å; Y160-N162 PolarHBondContact O-N 3.2Å

Retrieved 162 of 162 residues in 95.6 ms (Link to these results)

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