A0A5K4F2F4_SCHMA Loading...

DUF4806 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2F4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 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	33.1	Very low	39	Very low	240 Å²	240	162.5 Å²	162.5	100%	1.182	80%	0.802	S	S	*	*				0	142.3	0	-82.3	-161.8	-178.1	0	0	109.8
2	K	40.9	Very low	40	Very low	190 Å²	190	158 Å²	158	83%	0.826	78%	0.777	S	S	*	*			trans	65.1	78.8	168.4	-65.2	-179.3	179.5	175.1	0	116.3	V4	K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 3.07Å; K2-V4 VanDerWaalsContact O-N 3.07Å
3	L	40.7	Very low	41.4	Very low	161 Å²	161	149.7 Å²	149.7	84%	0.843	74%	0.738	S	S	*	*			trans	-64.6	99.1	151.8	-136.7	130.4	0	0	0	106.1	L5	L3-L5 PolarHBondContact O-N 2.86Å
4	V	40.9	Very low	42.5	Very low	114 Å²	114	141.9 Å²	141.9	69%	0.691	70%	0.704	S	S	*	*			trans	-70.1	91.1	175.7	-174.2	0	0	0	0	106.2	K2 S6	K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 3.07Å; K2-V4 VanDerWaalsContact O-N 3.07Å; V4-S6 PolarHBondContact O-N 2.84Å
5	L	41.7	Very low	43.8	Very low	144 Å²	144	141.5 Å²	141.5	75%	0.754	69%	0.691	S	S	*	*			trans	-61.5	77.6	155.4	-84.3	133.8	0	0	0	106.8	L3 K7	L3-L5 PolarHBondContact O-N 2.86Å; L5-K7 PolarHBondContact O-N 2.81Å
6	S	36.8	Very low	45	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	68%	0.684	S	S	*	*			trans	-62.9	94.8	160.8	-77.3	0	0	0	0	105.3	V4 F8	V4-S6 PolarHBondContact O-N 2.84Å; S6-F8 PolarHBondContact O-N 2.78Å
7	K	39.2	Very low	46.2	Very low	174 Å²	174	132.6 Å²	132.6	76%	0.757	65%	0.646	S	S	*	*			trans	-53.3	109.8	174.1	-64.4	-151.1	175	-172.4	0	106.9	L5 T9	L5-K7 PolarHBondContact O-N 2.81Å; K7-T9 HydrophobicContact CB-CG2 4.31Å; K7-T9 PolarHBondContact O-N 2.95Å
8	F	33.7	Very low	47.6	Very low	198 Å²	198	131.1 Å²	131.1	87%	0.868	64%	0.642	S	S	*	*			trans	-58.8	84.2	153.7	-80.1	-93.4	0	0	0	106.1	S6 D10	S6-F8 PolarHBondContact O-N 2.78Å; F8-D10 PolarHBondContact O-N 2.86Å
9	T	36.2	Very low	48.5	Very low	122 Å²	122	124.5 Å²	124.5	75%	0.748	61%	0.61	S	S	*	*			trans	-70	81	161.9	43.8	0	0	0	0	105.9	K7 R11	K7-T9 HydrophobicContact CB-CG2 4.31Å; K7-T9 PolarHBondContact O-N 2.95Å; T9-R11 PolarHBondContact O-N 2.83Å
10	D	43.5	Very low	48.9	Very low	114 Å²	114	121.8 Å²	121.8	61%	0.61	62%	0.615	S	S	*	*			trans	-72.9	61	-179.1	-163.8	7.3	0	0	0	110.5	F8 Q12	F8-D10 PolarHBondContact O-N 2.86Å; D10-Q12 VanDerWaalsContact C-N 3.27Å
11	R	42.6	Very low	48.9	Very low	238 Å²	238	118.6 Å²	118.6	90%	0.898	60%	0.6	S	S	*	*			trans	-99.1	55.8	154.9	-70.5	-173.2	176.1	178.1	-0.8	107.3	T9 D13	T9-R11 PolarHBondContact O-N 2.83Å; R11-D13 PolarHBondContact O-N 3.37Å
12	Q	50.8	Low	49.9	Very low	109 Å²	109	112.9 Å²	112.9	51%	0.509	58%	0.583	S	S	.	*			trans	-58.9	115.7	160.4	-80.5	-173	10.9	0	0	106.8	D10 P14 R56	D10-Q12 VanDerWaalsContact C-N 3.27Å; Q12-P14 VanDerWaalsContact O-N 3.16Å; Q12-R56 PolarHBondContact O-NH1 2.87Å; Q12-R56 PolarHBondContact O-NH2 3.45Å; Q12-R56 VanDerWaalsContact O-NH2 3.14Å
13	D	57.9	Low	50.8	Low	50 Å²	50	108.3 Å²	108.3	27%	0.267	58%	0.575	S	S	.	*			trans	-49.2	121.2	160.8	-178.5	-17.4	0	0	0	104.9	R11 R15 Q16	R11-D13 PolarHBondContact O-N 3.37Å; D13-R15 PolarHBondContact O-N 3.35Å; D13-R15 WeakPolarHBondContact OD1-CB 3.47Å; D13-R15 VanDerWaalsContact OD1-CG 3.23Å; D13-R15 WeakPolarHBondContact OD1-CG 3.34Å; D13-R15 PolarHBondContact OD1-N 3.06Å; D13-R15 IonicContact OD1-NE 3.13Å; D13-R15 PolarHBondContact OD1-NE 2.97Å; D13-R15 IonicContact OD2-CZ 3.58Å; D13-R15 VanDerWaalsContact OD2-CZ 3.31Å; D13-R15 IonicContact OD2-NE 2.66Å; D13-R15 PolarHBondContact OD2-NE 3.44Å; D13-R15 IonicContact OD2-NH2 2.79Å; D13-R15 PolarHBondContact OD2-NH2 3Å; D13-Q16 HydrophobicContact CB-CG 4.45Å; D13-Q16 PolarHBondContact O-N 3.36Å
14	P	57.3	Low	51.7	Low	40 Å²	40	101.2 Å²	101.2	26%	0.26	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-20	-178.8	21.1	-29.2	0	0	0	111.7	Q12 Q16 Y72	Q12-P14 VanDerWaalsContact O-N 3.16Å; P14-Q16 VanDerWaalsContact C-N 3.29Å; P14-Q16 PolarHBondContact O-N 3.44Å; P14-Y72 PolarHBondContact O-OH 3.05Å
15	R	61.7	Low	53.6	Low	136 Å²	136	102.5 Å²	102.5	51%	0.513	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.6	174.6	-57.9	-177.9	-62.7	177.6	4.7	115.3	D13 Y72	D13-R15 PolarHBondContact O-N 3.35Å; D13-R15 WeakPolarHBondContact OD1-CB 3.47Å; D13-R15 VanDerWaalsContact OD1-CG 3.23Å; D13-R15 WeakPolarHBondContact OD1-CG 3.34Å; D13-R15 PolarHBondContact OD1-N 3.06Å; D13-R15 IonicContact OD1-NE 3.13Å; D13-R15 PolarHBondContact OD1-NE 2.97Å; D13-R15 IonicContact OD2-CZ 3.58Å; D13-R15 VanDerWaalsContact OD2-CZ 3.31Å; D13-R15 IonicContact OD2-NE 2.66Å; D13-R15 PolarHBondContact OD2-NE 3.44Å; D13-R15 IonicContact OD2-NH2 2.79Å; D13-R15 PolarHBondContact OD2-NH2 3Å; R15-Y72 WeakPolarHBondContact CA-OH 3.32Å; R15-Y72 HydrophobicContact CG-CE2 4.35Å; R15-Y72 PolarHBondContact N-OH 3.41Å; R15-Y72 VanDerWaalsContact N-OH 3.08Å
16	Q	63	Low	55.6	Low	124 Å²	124	96.1 Å²	96.1	58%	0.579	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	107.3	176.7	-69	-175.5	-6	0	0	109.4	D13 P14	D13-Q16 HydrophobicContact CB-CG 4.45Å; D13-Q16 PolarHBondContact O-N 3.36Å; P14-Q16 VanDerWaalsContact C-N 3.29Å; P14-Q16 PolarHBondContact O-N 3.44Å
17	F	64.6	Low	58.2	Low	9 Å²	9	94.2 Å²	94.2	4%	0.039	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.2	169.3	-177.8	-111.1	0	0	0	108.2	C19 F26 L37 V46 R49 F50 M53	F17-C19 HydrophobicContact CD1-CB 3.91Å; F17-C19 HydrophobicContact CE1-CB 3.5Å; F17-C19 HydrophobicContact CZ-CB 4.3Å; F17-F26 HydrophobicContact CB-CE2 3.85Å; F17-L37 HydrophobicContact CD1-CD1 4.36Å; F17-L37 HydrophobicContact CE1-CD1 3.97Å; F17-V46 HydrophobicContact CE1-CG1 4.06Å; F17-V46 HydrophobicContact CZ-CG1 3.65Å; F17-R49 HydrophobicContact CE2-CB 3.84Å; F17-F50 HydrophobicContact CD1-CD2 4.48Å; F17-F50 HydrophobicContact CE1-CB 4.39Å; F17-F50 HydrophobicContact CE1-CD2 4.1Å; F17-F50 HydrophobicContact CE2-CB 3.94Å; F17-F50 HydrophobicContact CE2-CD2 4.45Å; F17-F50 HydrophobicContact CZ-CB 3.64Å; F17-F50 HydrophobicContact CZ-CD2 4.11Å; F17-F50 HydrophobicContact CZ-CG 4.34Å; F17-M53 HydrophobicContact CB-CE 3.5Å; F17-M53 VanDerWaalsContact CB-CE 3.5Å; F17-M53 HydrophobicContact CD1-CE 4.33Å; F17-M53 HydrophobicContact CD2-CE 3.77Å; F17-M53 HydrophobicContact CG-CE 3.62Å
18	D	71.5	Confident	60.7	Low	105 Å²	105	86 Å²	86	56%	0.561	45%	0.452	S	S	*	.			trans	-97.3	101.7	175.6	-175.2	4	0	0	0	109	G20	D18-G20 PolarHBondContact OD1-N 3.26Å
19	C	64.7	Low	63.4	Low	6 Å²	6	79.3 Å²	79.3	4%	0.041	43%	0.43	C	S	.	.	S	Bend	trans	-96.4	18.1	176	61.7	0	0	0	0	113.1	F17 C40 V46	F17-C19 HydrophobicContact CD1-CB 3.91Å; F17-C19 HydrophobicContact CE1-CB 3.5Å; F17-C19 HydrophobicContact CZ-CB 4.3Å; C19-C40 HydrophobicContact CB-CB 3.81Å; C19-C40 PolarHBondContact O-SG 2.8Å; C19-V46 HydrophobicContact CB-CG1 4.02Å
20	G	57.4	Low	66	Low	69 Å²	69	75.4 Å²	75.4	71%	0.711	41%	0.408	S	S	*	.	S	Bend	trans	87.3	19.3	-171.9	0	0	0	0	0	113.6	D18	D18-G20 PolarHBondContact OD1-N 3.26Å
21	L	49.2	Very low	68.3	Low	56 Å²	56	74.2 Å²	74.2	29%	0.293	40%	0.399	S	S	.	.	S	Bend	trans	-122.7	155	173	-59	171.4	0	0	0	109.1	S23 Q24 T36	L21-S23 PolarHBondContact O-N 3.14Å; L21-Q24 HydrophobicContact CD1-CG 4.38Å; L21-T36 HydrophobicContact CD1-CG2 3.22Å; L21-T36 HydrophobicContact CD2-CG2 3.69Å; L21-T36 HydrophobicContact CG-CG2 3.98Å
22	S	53.7	Low	70.5	Confident	119 Å²	119	70.2 Å²	70.2	83%	0.832	39%	0.39	S	S	*	.	S	Bend	trans	-43.5	127.4	168	176.5	0	0	0	0	109.2	Q24	S22-Q24 PolarHBondContact O-N 3.07Å
23	S	59.1	Low	72.5	Confident	94 Å²	94	67.6 Å²	67.6	66%	0.657	38%	0.378	S	S	*	.			trans	-27.6	91.8	-169.8	-53.3	0	0	0	0	113.1	L21 Q25	L21-S23 PolarHBondContact O-N 3.14Å; S23-Q25 PolarHBondContact O-N 3.23Å; S23-Q25 VanDerWaalsContact O-N 3.1Å
24	Q	61.1	Low	74.1	Confident	13 Å²	13	65.4 Å²	65.4	6%	0.061	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	116.1	177.6	-89.8	-173.3	-19.9	0	0	107.6	L21 S22 L28 E33	L21-Q24 HydrophobicContact CD1-CG 4.38Å; S22-Q24 PolarHBondContact O-N 3.07Å; Q24-L28 HydrophobicContact CB-CD2 4.28Å; Q24-L28 HydrophobicContact CG-CD2 4.27Å; Q24-E33 PolarHBondContact NE2-O 3.16Å
25	Q	79.2	Confident	75.7	Confident	141 Å²	141	65.1 Å²	65.1	66%	0.659	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.1	173.9	-171.8	174.6	-3.3	0	0	108.8	S23	S23-Q25 PolarHBondContact O-N 3.23Å; S23-Q25 VanDerWaalsContact O-N 3.1Å
26	F	84.9	Confident	77.2	Confident	9 Å²	9	60.7 Å²	60.7	4%	0.039	36%	0.358	C	S	.	.	S	Bend	trans	-70.5	145	170.4	-75	-71.2	0	0	0	111.2	F17 L28 L37 F50 M53 Y72 I73	F17-F26 HydrophobicContact CB-CE2 3.85Å; F26-L28 HydrophobicContact CD1-CD2 4.21Å; F26-L28 HydrophobicContact CD1-CG 3.93Å; F26-L28 HydrophobicContact CE1-CD1 3.97Å; F26-L28 HydrophobicContact CE1-CD2 4.1Å; F26-L28 HydrophobicContact CE1-CG 3.79Å; F26-L37 HydrophobicContact CE1-CD2 4.19Å; F26-L37 HydrophobicContact CZ-CD2 4.2Å; F26-F50 HydrophobicContact CZ-CE2 4.36Å; F26-M53 HydrophobicContact CD2-CE 4.27Å; F26-M53 HydrophobicContact CE2-CE 3.55Å; F26-M53 HydrophobicContact CZ-CE 4.2Å; F26-Y72 HydrophobicContact CB-CD1 4.11Å; F26-Y72 HydrophobicContact CB-CE1 3.74Å; F26-Y72 WeakPolarHBondContact CB-O 3.4Å; F26-Y72 HydrophobicContact CD1-CD1 4.44Å; F26-Y72 HydrophobicContact CD1-CE1 4.44Å; F26-Y72 AromaticContact CD2-CE1 3.76Å; F26-Y72 HydrophobicContact CD2-CE1 3.76Å; F26-Y72 HydrophobicContact CE2-CE1 4.49Å; F26-Y72 HydrophobicContact CG-CD1 4.11Å; F26-Y72 AromaticContact CG-CE1 3.72Å; F26-Y72 HydrophobicContact CG-CE1 3.72Å; F26-I73 WeakPolarHBondContact CD1-O 3.2Å; F26-I73 HydrophobicContact CE1-CB 4.36Å; F26-I73 HydrophobicContact CE1-CG1 4.32Å; F26-I73 HydrophobicContact CE1-CG2 4.2Å
27	P	90.4	Very high	78.6	Confident	53 Å²	53	54.8 Å²	54.8	34%	0.344	33%	0.331	S	S	.	.	S	Bend	cis	-81.7	143.6	-0.5	32	-35	0	0	0	113.7	Y72 K75	P27-Y72 WeakPolarHBondContact CA-O 3.32Å; P27-Y72 WeakPolarHBondContact CB-O 3.47Å; P27-K75 HydrophobicContact CB-CG 4.04Å; P27-K75 HydrophobicContact CG-CG 3.74Å
28	L	91.8	Very high	79.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-63.3	139.2	177.6	-54.5	175.8	0	0	0	110.7	Q24 F26 E33 L34 L37 I73 K75	Q24-L28 HydrophobicContact CB-CD2 4.28Å; Q24-L28 HydrophobicContact CG-CD2 4.27Å; F26-L28 HydrophobicContact CD1-CD2 4.21Å; F26-L28 HydrophobicContact CD1-CG 3.93Å; F26-L28 HydrophobicContact CE1-CD1 3.97Å; F26-L28 HydrophobicContact CE1-CD2 4.1Å; F26-L28 HydrophobicContact CE1-CG 3.79Å; L28-E33 HydrophobicContact CB-CB 4.15Å; L28-E33 HydrophobicContact CD1-CB 4.49Å; L28-E33 HydrophobicContact CD2-CB 4.1Å; L28-E33 HydrophobicContact CG-CB 4.45Å; L28-L34 HydrophobicContact CD1-CB 4.29Å; L28-L34 HydrophobicContact CD1-CD1 3.81Å; L28-L37 HydrophobicContact CD1-CB 4.22Å; L28-L37 HydrophobicContact CD1-CD2 3.9Å; L28-I73 WeakPolarHBondContact CB-O 3.39Å; L28-I73 VanDerWaalsContact CG-O 3.3Å; L28-I73 WeakPolarHBondContact CG-O 3.4Å; L28-I73 PolarHBondContact N-O 2.97Å; L28-K75 WeakPolarHBondContact O-CB 3.31Å; L28-K75 PolarHBondContact O-N 3.42Å
29	S	90.5	Very high	81	Confident	58 Å²	58	53.4 Å²	53.4	41%	0.406	33%	0.331	S	S	.	.			trans	-111.3	-14.8	-168.6	67.4	0	0	0	0	114.3	E33 V78	S29-E33 WeakPolarHBondContact CA-OE2 3.47Å; S29-E33 PolarHBondContact N-OE2 2.98Å; S29-E33 PolarHBondContact OG-OE2 2.79Å; S29-V78 VanDerWaalsContact O-CG2 3.31Å; S29-V78 WeakPolarHBondContact O-CG2 3.48Å
30	S	90.9	Very high	82.3	Confident	41 Å²	41	53.9 Å²	53.9	29%	0.287	34%	0.335	S	S	.	.	S	Bend	trans	-127.5	161	176.2	79.8	0	0	0	0	112.8	E32 E33 L34	S30-E32 VanDerWaalsContact C-N 3.29Å; S30-E32 PolarHBondContact OG-N 3.35Å; S30-E33 PolarHBondContact N-OE2 2.95Å; S30-E33 VanDerWaalsContact OG-CG 3.32Å; S30-E33 WeakPolarHBondContact OG-CG 3.49Å; S30-E33 PolarHBondContact OG-N 2.81Å; S30-E33 VanDerWaalsContact OG-N 3.08Å; S30-L34 PolarHBondContact O-N 3.17Å
31	E	91.2	Very high	84	Confident	88 Å²	88	50.7 Å²	50.7	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-68.7	-30	172.4	165.9	158.3	-170.9	0	0	112.4	L34 G35 R91	E31-L34 PolarHBondContact O-N 2.96Å; E31-G35 PolarHBondContact O-N 2.9Å; E31-R91 VanDerWaalsContact CD-NH2 3.26Å; E31-R91 VanDerWaalsContact CG-NH2 3.27Å; E31-R91 IonicContact OE1-CZ 3.35Å; E31-R91 IonicContact OE1-NE 3.46Å; E31-R91 PolarHBondContact OE1-NE 3.44Å; E31-R91 VanDerWaalsContact OE1-NE 3.13Å; E31-R91 IonicContact OE1-NH1 2.72Å; E31-R91 PolarHBondContact OE1-NH1 3.45Å; E31-R91 IonicContact OE1-NH2 3.92Å; E31-R91 PolarHBondContact OE1-NH2 3.16Å; E31-R91 IonicContact OE2-NH2 3.76Å
32	E	90.7	Very high	86.1	Confident	154 Å²	154	53.7 Å²	53.7	72%	0.72	31%	0.314	S	S	*	.	H	α-helix	trans	-64	-50.2	175.1	-176	178.1	-173.8	0	0	110.8	S30 L34 G35 T36	S30-E32 VanDerWaalsContact C-N 3.29Å; S30-E32 PolarHBondContact OG-N 3.35Å; E32-L34 PolarHBondContact O-N 3.46Å; E32-G35 CarbonylContact O-C 3.55Å; E32-G35 WeakPolarHBondContact O-CA 3.45Å; E32-G35 PolarHBondContact O-N 3.08Å; E32-T36 PolarHBondContact O-N 2.64Å; E32-T36 PolarHBondContact O-OG1 2.98Å
33	E	91	Very high	88	Confident	55 Å²	55	53.4 Å²	53.4	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-55.7	-41.7	177	-75.5	177.8	131.6	0	0	112	Q24 L28 S29 S30 T36 L37	Q24-E33 PolarHBondContact NE2-O 3.16Å; L28-E33 HydrophobicContact CB-CB 4.15Å; L28-E33 HydrophobicContact CD1-CB 4.49Å; L28-E33 HydrophobicContact CD2-CB 4.1Å; L28-E33 HydrophobicContact CG-CB 4.45Å; S29-E33 WeakPolarHBondContact CA-OE2 3.47Å; S29-E33 PolarHBondContact N-OE2 2.98Å; S29-E33 PolarHBondContact OG-OE2 2.79Å; S30-E33 PolarHBondContact N-OE2 2.95Å; S30-E33 VanDerWaalsContact OG-CG 3.32Å; S30-E33 WeakPolarHBondContact OG-CG 3.49Å; S30-E33 PolarHBondContact OG-N 2.81Å; S30-E33 VanDerWaalsContact OG-N 3.08Å; E33-T36 PolarHBondContact O-N 3.48Å; E33-L37 PolarHBondContact O-N 3.39Å
34	L	91.6	Very high	89.6	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-69.7	-37.5	177.1	-169.4	66.4	0	0	0	112.1	L28 S30 E31 E32 L37 D38 I73 V78 F82 F98	L28-L34 HydrophobicContact CD1-CB 4.29Å; L28-L34 HydrophobicContact CD1-CD1 3.81Å; S30-L34 PolarHBondContact O-N 3.17Å; E31-L34 PolarHBondContact O-N 2.96Å; E32-L34 PolarHBondContact O-N 3.46Å; L34-L37 HydrophobicContact CD1-CD2 4.4Å; L34-L37 PolarHBondContact O-N 2.85Å; L34-D38 PolarHBondContact O-N 3.39Å; L34-I73 HydrophobicContact CD1-CG2 4Å; L34-V78 HydrophobicContact CD2-CG1 3.82Å; L34-F82 HydrophobicContact CD2-CE2 3.44Å; L34-F82 VanDerWaalsContact CD2-CE2 3.44Å; L34-F82 HydrophobicContact CD2-CZ 3.44Å; L34-F82 VanDerWaalsContact CD2-CZ 3.44Å; L34-F98 HydrophobicContact CD1-CD1 3.93Å; L34-F98 HydrophobicContact CD1-CE1 3.57Å; L34-F98 HydrophobicContact CD1-CE2 4.44Å; L34-F98 HydrophobicContact CD1-CZ 3.83Å; L34-F98 HydrophobicContact CD2-CE1 3.95Å; L34-F98 HydrophobicContact CD2-CZ 4.15Å; L34-F98 HydrophobicContact CG-CD1 4.4Å; L34-F98 HydrophobicContact CG-CE1 3.83Å; L34-F98 HydrophobicContact CG-CZ 4.35Å
35	G	92.1	Very high	91.1	Very high	33 Å²	33	58.8 Å²	58.8	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-39.7	173.5	0	0	0	0	0	112.2	E31 E32 D38 A39	E31-G35 PolarHBondContact O-N 2.9Å; E32-G35 CarbonylContact O-C 3.55Å; E32-G35 WeakPolarHBondContact O-CA 3.45Å; E32-G35 PolarHBondContact O-N 3.08Å; G35-D38 PolarHBondContact O-N 2.86Å; G35-A39 PolarHBondContact O-N 3.46Å
36	T	92.4	Very high	91.6	Very high	43 Å²	43	52.5 Å²	52.5	26%	0.264	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-41.8	175.8	-28.8	0	0	0	0	111.6	L21 E32 E33 D38 A39 C40	L21-T36 HydrophobicContact CD1-CG2 3.22Å; L21-T36 HydrophobicContact CD2-CG2 3.69Å; L21-T36 HydrophobicContact CG-CG2 3.98Å; E32-T36 PolarHBondContact O-N 2.64Å; E32-T36 PolarHBondContact O-OG1 2.98Å; E33-T36 PolarHBondContact O-N 3.48Å; T36-D38 VanDerWaalsContact C-N 3.3Å; T36-D38 PolarHBondContact O-N 3.37Å; T36-A39 PolarHBondContact O-N 3.37Å; T36-C40 PolarHBondContact O-N 2.88Å; T36-C40 PolarHBondContact O-SG 2.95Å
37	L	92	Very high	92	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.6	-47.6	171.4	174	63.7	0	0	0	110.8	F17 F26 L28 E33 L34 A39 C40 L41 F50 I73 F98	F17-L37 HydrophobicContact CD1-CD1 4.36Å; F17-L37 HydrophobicContact CE1-CD1 3.97Å; F26-L37 HydrophobicContact CE1-CD2 4.19Å; F26-L37 HydrophobicContact CZ-CD2 4.2Å; L28-L37 HydrophobicContact CD1-CB 4.22Å; L28-L37 HydrophobicContact CD1-CD2 3.9Å; E33-L37 PolarHBondContact O-N 3.39Å; L34-L37 HydrophobicContact CD1-CD2 4.4Å; L34-L37 PolarHBondContact O-N 2.85Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 3.15Å; L37-C40 PolarHBondContact O-N 3.31Å; L37-L41 HydrophobicContact CD1-CD1 4.25Å; L37-L41 HydrophobicContact CD1-CG 4.27Å; L37-L41 HydrophobicContact CG-CD1 4.19Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3.16Å; L37-L41 VanDerWaalsContact O-N 3.12Å; L37-F50 HydrophobicContact CD1-CD2 4.35Å; L37-F50 HydrophobicContact CD1-CE2 4.23Å; L37-F50 HydrophobicContact CD2-CE2 4.26Å; L37-F50 HydrophobicContact CD2-CZ 4.38Å; L37-I73 HydrophobicContact CD2-CG2 4.32Å; L37-F98 HydrophobicContact CD2-CB 4.22Å
38	D	93.2	Very high	92.1	Very high	31 Å²	31	57.2 Å²	57.2	17%	0.166	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-41.2	-179.3	-143.7	56.7	0	0	0	111.9	L34 G35 T36 L41 R97 F98	L34-D38 PolarHBondContact O-N 3.39Å; G35-D38 PolarHBondContact O-N 2.86Å; T36-D38 VanDerWaalsContact C-N 3.3Å; T36-D38 PolarHBondContact O-N 3.37Å; D38-L41 PolarHBondContact O-N 3.11Å; D38-R97 VanDerWaalsContact CG-N 3.33Å; D38-R97 VanDerWaalsContact O-CD 3.31Å; D38-R97 WeakPolarHBondContact O-CD 3.44Å; D38-R97 WeakPolarHBondContact OD1-CA 3.23Å; D38-R97 WeakPolarHBondContact OD1-CB 3.44Å; D38-R97 PolarHBondContact OD1-N 3.26Å; D38-R97 PolarHBondContact OD2-N 2.86Å; D38-R97 VanDerWaalsContact OD2-N 3.16Å; D38-F98 WeakPolarHBondContact OD1-CD1 3.47Å; D38-F98 PolarHBondContact OD1-N 3.27Å
39	A	93.3	Very high	92	Very high	54 Å²	54	64.2 Å²	64.2	45%	0.446	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-42.9	175.2	0	0	0	0	0	112.6	G35 T36 L37 L41 E42	G35-A39 PolarHBondContact O-N 3.46Å; T36-A39 PolarHBondContact O-N 3.37Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 3.15Å; A39-L41 PolarHBondContact O-N 3.28Å; A39-E42 VanDerWaalsContact O-CB 3.29Å; A39-E42 WeakPolarHBondContact O-CB 3.5Å; A39-E42 VanDerWaalsContact O-CG 3.28Å; A39-E42 WeakPolarHBondContact O-CG 3.19Å; A39-E42 PolarHBondContact O-N 3.22Å; A39-E42 VanDerWaalsContact O-N 3.12Å
40	C	91.9	Very high	92.1	Very high	17 Å²	17	61.5 Å²	61.5	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-31.2	177.5	-67.7	0	0	0	0	112.3	C19 T36 L37 E42 Q43 V46	C19-C40 HydrophobicContact CB-CB 3.81Å; C19-C40 PolarHBondContact O-SG 2.8Å; T36-C40 PolarHBondContact O-N 2.88Å; T36-C40 PolarHBondContact O-SG 2.95Å; L37-C40 PolarHBondContact O-N 3.31Å; C40-E42 PolarHBondContact O-N 2.85Å; C40-E42 VanDerWaalsContact O-N 3.16Å; C40-Q43 PolarHBondContact O-N 3.19Å; C40-Q43 VanDerWaalsContact O-N 3.11Å; C40-V46 HydrophobicContact CB-CG1 4.09Å; C40-V46 WeakPolarHBondContact O-CB 3.38Å
41	L	93.6	Very high	92.2	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-1	177.8	-66.8	172.7	0	0	0	114.4	L37 D38 A39 Q43 V46 R47 F50 R97 F98	L37-L41 HydrophobicContact CD1-CD1 4.25Å; L37-L41 HydrophobicContact CD1-CG 4.27Å; L37-L41 HydrophobicContact CG-CD1 4.19Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3.16Å; L37-L41 VanDerWaalsContact O-N 3.12Å; D38-L41 PolarHBondContact O-N 3.11Å; A39-L41 PolarHBondContact O-N 3.28Å; L41-Q43 VanDerWaalsContact C-N 3.26Å; L41-V46 HydrophobicContact CD2-CG1 4.4Å; L41-R47 HydrophobicContact CD2-CB 4.34Å; L41-F50 HydrophobicContact CD1-CD1 4.05Å; L41-F50 HydrophobicContact CD1-CE1 4.04Å; L41-F50 HydrophobicContact CD2-CB 3.55Å; L41-F50 HydrophobicContact CD2-CD1 3.65Å; L41-F50 HydrophobicContact CD2-CD2 4.44Å; L41-F50 HydrophobicContact CD2-CE1 4.44Å; L41-F50 HydrophobicContact CD2-CG 3.64Å; L41-R97 HydrophobicContact CB-CB 4.33Å; L41-F98 HydrophobicContact CD1-CB 3.43Å; L41-F98 VanDerWaalsContact CD1-CB 3.43Å
42	E	94.4	Very high	92.2	Very high	119 Å²	119	59.7 Å²	59.7	56%	0.556	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.4	164.8	-65.9	-165.6	158.9	0	0	111.7	A39 C40 R97	A39-E42 VanDerWaalsContact O-CB 3.29Å; A39-E42 WeakPolarHBondContact O-CB 3.5Å; A39-E42 VanDerWaalsContact O-CG 3.28Å; A39-E42 WeakPolarHBondContact O-CG 3.19Å; A39-E42 PolarHBondContact O-N 3.22Å; A39-E42 VanDerWaalsContact O-N 3.12Å; C40-E42 PolarHBondContact O-N 2.85Å; C40-E42 VanDerWaalsContact O-N 3.16Å; E42-R97 IonicContact OE1-CZ 3.31Å; E42-R97 IonicContact OE1-NE 3.17Å; E42-R97 PolarHBondContact OE1-NE 2.89Å; E42-R97 IonicContact OE1-NH2 2.95Å; E42-R97 PolarHBondContact OE1-NH2 2.82Å
43	Q	92.9	Very high	92.3	Very high	112 Å²	112	53.1 Å²	53.1	52%	0.523	28%	0.276	S	S	.	.	S	Bend	trans	-75.9	126.9	177.7	-60.4	-174.3	-44.8	0	0	110.2	C40 L41 D45 V46 R47	C40-Q43 PolarHBondContact O-N 3.19Å; C40-Q43 VanDerWaalsContact O-N 3.11Å; L41-Q43 VanDerWaalsContact C-N 3.26Å; Q43-D45 WeakPolarHBondContact CB-OD1 3.48Å; Q43-D45 PolarHBondContact O-N 2.98Å; Q43-V46 HydrophobicContact CB-CB 4.14Å; Q43-V46 HydrophobicContact CB-CG2 3.86Å; Q43-V46 PolarHBondContact O-N 2.79Å; Q43-R47 WeakPolarHBondContact O-CB 3.34Å; Q43-R47 PolarHBondContact O-N 3.5Å
44	K	93.1	Very high	92.3	Very high	136 Å²	136	50.5 Å²	50.5	59%	0.591	26%	0.264	S	S	*	.	H	α-helix	trans	-62	-43.6	-174.4	176.4	176.5	177.3	-172.9	0	112.3	R47 D48	K44-R47 WeakPolarHBondContact O-CB 3.34Å; K44-R47 PolarHBondContact O-N 2.92Å; K44-D48 WeakPolarHBondContact O-CB 3.47Å; K44-D48 PolarHBondContact O-N 2.77Å
45	D	91.4	Very high	92.2	Very high	85 Å²	85	53.8 Å²	53.8	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-40.5	180	62.1	-53.5	0	0	0	112.1	Q43 D48 R49	Q43-D45 WeakPolarHBondContact CB-OD1 3.48Å; Q43-D45 PolarHBondContact O-N 2.98Å; D45-D48 PolarHBondContact O-N 3.48Å; D45-R49 WeakPolarHBondContact O-CG 3.47Å; D45-R49 PolarHBondContact O-N 2.87Å
46	V	91.1	Very high	92.1	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-44.9	173.4	-179.7	0	0	0	0	110.4	F17 C19 C40 L41 Q43 D48 R49 F50	F17-V46 HydrophobicContact CE1-CG1 4.06Å; F17-V46 HydrophobicContact CZ-CG1 3.65Å; C19-V46 HydrophobicContact CB-CG1 4.02Å; C40-V46 HydrophobicContact CB-CG1 4.09Å; C40-V46 WeakPolarHBondContact O-CB 3.38Å; L41-V46 HydrophobicContact CD2-CG1 4.4Å; Q43-V46 HydrophobicContact CB-CB 4.14Å; Q43-V46 HydrophobicContact CB-CG2 3.86Å; Q43-V46 PolarHBondContact O-N 2.79Å; V46-D48 PolarHBondContact O-N 3.04Å; V46-R49 PolarHBondContact O-N 3.29Å; V46-F50 WeakPolarHBondContact O-CB 3.29Å; V46-F50 PolarHBondContact O-N 3.21Å
47	R	92.8	Very high	91.9	Very high	82 Å²	82	57.6 Å²	57.6	31%	0.309	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-44.2	175.9	-176.3	177.6	65.1	-127.8	3.3	112.2	L41 Q43 K44 F50 M51	L41-R47 HydrophobicContact CD2-CB 4.34Å; Q43-R47 WeakPolarHBondContact O-CB 3.34Å; Q43-R47 PolarHBondContact O-N 3.5Å; K44-R47 WeakPolarHBondContact O-CB 3.34Å; K44-R47 PolarHBondContact O-N 2.92Å; R47-F50 WeakPolarHBondContact O-CB 3.32Å; R47-F50 PolarHBondContact O-N 2.94Å; R47-M51 HydrophobicContact CG-CG 4.47Å; R47-M51 HydrophobicContact CG-SD 4.28Å; R47-M51 WeakPolarHBondContact O-CB 3.45Å; R47-M51 WeakPolarHBondContact O-CG 3.25Å; R47-M51 PolarHBondContact O-N 3.34Å
48	D	91.5	Very high	91.8	Very high	79 Å²	79	58.3 Å²	58.3	42%	0.422	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-41.6	-179.6	-67.4	-15.5	0	0	0	110.8	K44 D45 V46 M51 A52	K44-D48 WeakPolarHBondContact O-CB 3.47Å; K44-D48 PolarHBondContact O-N 2.77Å; D45-D48 PolarHBondContact O-N 3.48Å; V46-D48 PolarHBondContact O-N 3.04Å; D48-M51 PolarHBondContact O-N 3.41Å; D48-A52 WeakPolarHBondContact O-CB 3.38Å; D48-A52 PolarHBondContact O-N 3.05Å
49	R	91.2	Very high	91.6	Very high	148 Å²	148	60.9 Å²	60.9	56%	0.558	30%	0.302	S	S	*	.	H	α-helix	trans	-63.6	-42.2	172.6	-69.7	175.6	-173.9	-179.2	5.2	112.4	F17 D45 V46 A52 M53	F17-R49 HydrophobicContact CE2-CB 3.84Å; D45-R49 WeakPolarHBondContact O-CG 3.47Å; D45-R49 PolarHBondContact O-N 2.87Å; V46-R49 PolarHBondContact O-N 3.29Å; R49-A52 PolarHBondContact O-N 2.76Å; R49-M53 PolarHBondContact O-N 3.13Å
50	F	92.2	Very high	91.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-47.6	177	-176.4	-113.8	0	0	0	110.6	F17 F26 L37 L41 V46 R47 A52 M53 L54 I73 F98 C101	F17-F50 HydrophobicContact CD1-CD2 4.48Å; F17-F50 HydrophobicContact CE1-CB 4.39Å; F17-F50 HydrophobicContact CE1-CD2 4.1Å; F17-F50 HydrophobicContact CE2-CB 3.94Å; F17-F50 HydrophobicContact CE2-CD2 4.45Å; F17-F50 HydrophobicContact CZ-CB 3.64Å; F17-F50 HydrophobicContact CZ-CD2 4.11Å; F17-F50 HydrophobicContact CZ-CG 4.34Å; F26-F50 HydrophobicContact CZ-CE2 4.36Å; L37-F50 HydrophobicContact CD1-CD2 4.35Å; L37-F50 HydrophobicContact CD1-CE2 4.23Å; L37-F50 HydrophobicContact CD2-CE2 4.26Å; L37-F50 HydrophobicContact CD2-CZ 4.38Å; L41-F50 HydrophobicContact CD1-CD1 4.05Å; L41-F50 HydrophobicContact CD1-CE1 4.04Å; L41-F50 HydrophobicContact CD2-CB 3.55Å; L41-F50 HydrophobicContact CD2-CD1 3.65Å; L41-F50 HydrophobicContact CD2-CD2 4.44Å; L41-F50 HydrophobicContact CD2-CE1 4.44Å; L41-F50 HydrophobicContact CD2-CG 3.64Å; V46-F50 WeakPolarHBondContact O-CB 3.29Å; V46-F50 PolarHBondContact O-N 3.21Å; R47-F50 WeakPolarHBondContact O-CB 3.32Å; R47-F50 PolarHBondContact O-N 2.94Å; F50-A52 VanDerWaalsContact C-N 3.32Å; F50-A52 PolarHBondContact O-N 2.96Å; F50-M53 HydrophobicContact CD2-CE 3.86Å; F50-M53 HydrophobicContact CE2-CE 4.09Å; F50-M53 WeakPolarHBondContact O-CB 3.21Å; F50-M53 PolarHBondContact O-N 3.14Å; F50-M53 VanDerWaalsContact O-N 3.15Å; F50-L54 HydrophobicContact CD1-CD1 3.76Å; F50-L54 HydrophobicContact CD1-CG 4.26Å; F50-L54 HydrophobicContact CE1-CD1 3.46Å; F50-L54 VanDerWaalsContact CE1-CD1 3.46Å; F50-L54 HydrophobicContact CE1-CD2 4.27Å; F50-L54 HydrophobicContact CE1-CG 4.04Å; F50-L54 HydrophobicContact CE2-CD2 4.27Å; F50-L54 HydrophobicContact CE2-CG 4.5Å; F50-L54 HydrophobicContact CZ-CD1 4.01Å; F50-L54 HydrophobicContact CZ-CD2 3.92Å; F50-L54 HydrophobicContact CZ-CG 4.15Å; F50-L54 WeakPolarHBondContact O-CG 3.41Å; F50-L54 PolarHBondContact O-N 3.24Å; F50-I73 HydrophobicContact CZ-CD1 3.95Å; F50-F98 HydrophobicContact CE1-CB 4.16Å; F50-F98 HydrophobicContact CZ-CB 4.24Å; F50-C101 HydrophobicContact CD1-CB 3.83Å; F50-C101 HydrophobicContact CE1-CB 3.87Å
51	M	93	Very high	91.3	Very high	35 Å²	35	66.7 Å²	66.7	17%	0.172	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-37.6	176.8	-71.6	-175.4	72	0	0	112.7	R47 D48 L54 T55 C101 A105	R47-M51 HydrophobicContact CG-CG 4.47Å; R47-M51 HydrophobicContact CG-SD 4.28Å; R47-M51 WeakPolarHBondContact O-CB 3.45Å; R47-M51 WeakPolarHBondContact O-CG 3.25Å; R47-M51 PolarHBondContact O-N 3.34Å; D48-M51 PolarHBondContact O-N 3.41Å; M51-L54 PolarHBondContact O-N 2.82Å; M51-T55 PolarHBondContact O-N 3.41Å; M51-T55 PolarHBondContact O-OG1 3.4Å; M51-C101 HydrophobicContact CG-CB 4.26Å; M51-A105 HydrophobicContact CE-CB 4.04Å
52	A	91.1	Very high	91.2	Very high	56 Å²	56	66.9 Å²	66.9	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-42.6	173.6	0	0	0	0	0	111.8	D48 R49 F50 T55 R56	D48-A52 WeakPolarHBondContact O-CB 3.38Å; D48-A52 PolarHBondContact O-N 3.05Å; R49-A52 PolarHBondContact O-N 2.76Å; F50-A52 VanDerWaalsContact C-N 3.32Å; F50-A52 PolarHBondContact O-N 2.96Å; A52-T55 PolarHBondContact O-N 3.28Å; A52-R56 PolarHBondContact O-N 3Å
53	M	91.6	Very high	91.2	Very high	16 Å²	16	64.8 Å²	64.8	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-63.2	-44.9	174.1	175.5	-110.4	-80	0	0	111.7	F17 F26 R49 F50 T55 R56 L57 Y72	F17-M53 HydrophobicContact CB-CE 3.5Å; F17-M53 VanDerWaalsContact CB-CE 3.5Å; F17-M53 HydrophobicContact CD1-CE 4.33Å; F17-M53 HydrophobicContact CD2-CE 3.77Å; F17-M53 HydrophobicContact CG-CE 3.62Å; F26-M53 HydrophobicContact CD2-CE 4.27Å; F26-M53 HydrophobicContact CE2-CE 3.55Å; F26-M53 HydrophobicContact CZ-CE 4.2Å; R49-M53 PolarHBondContact O-N 3.13Å; F50-M53 HydrophobicContact CD2-CE 3.86Å; F50-M53 HydrophobicContact CE2-CE 4.09Å; F50-M53 WeakPolarHBondContact O-CB 3.21Å; F50-M53 PolarHBondContact O-N 3.14Å; F50-M53 VanDerWaalsContact O-N 3.15Å; M53-T55 VanDerWaalsContact C-N 3.3Å; M53-T55 PolarHBondContact O-N 3.27Å; M53-R56 WeakPolarHBondContact O-CB 3.48Å; M53-R56 PolarHBondContact O-N 3.44Å; M53-R56 VanDerWaalsContact O-N 3.16Å; M53-L57 HydrophobicContact SD-CD1 3.96Å; M53-Y72 HydrophobicContact SD-CE1 4.02Å
54	L	92.1	Very high	91.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-40.5	176.9	-65.7	176.2	0	0	0	112.3	F50 M51 R56 L57 M58 I69 I73 C101 V102 A105	F50-L54 HydrophobicContact CD1-CD1 3.76Å; F50-L54 HydrophobicContact CD1-CG 4.26Å; F50-L54 HydrophobicContact CE1-CD1 3.46Å; F50-L54 VanDerWaalsContact CE1-CD1 3.46Å; F50-L54 HydrophobicContact CE1-CD2 4.27Å; F50-L54 HydrophobicContact CE1-CG 4.04Å; F50-L54 HydrophobicContact CE2-CD2 4.27Å; F50-L54 HydrophobicContact CE2-CG 4.5Å; F50-L54 HydrophobicContact CZ-CD1 4.01Å; F50-L54 HydrophobicContact CZ-CD2 3.92Å; F50-L54 HydrophobicContact CZ-CG 4.15Å; F50-L54 WeakPolarHBondContact O-CG 3.41Å; F50-L54 PolarHBondContact O-N 3.24Å; M51-L54 PolarHBondContact O-N 2.82Å; L54-R56 PolarHBondContact O-N 2.88Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 3.41Å; L54-M58 HydrophobicContact CB-CE 4.21Å; L54-M58 WeakPolarHBondContact O-CG 3.07Å; L54-M58 PolarHBondContact O-N 3.33Å; L54-I69 HydrophobicContact CD2-CG2 3.59Å; L54-I73 HydrophobicContact CD2-CD1 4.22Å; L54-C101 HydrophobicContact CD1-CB 4.47Å; L54-V102 HydrophobicContact CD1-CB 4.43Å; L54-V102 HydrophobicContact CD1-CG2 3.81Å; L54-V102 HydrophobicContact CD2-CG2 4.22Å; L54-A105 HydrophobicContact CB-CB 4.37Å; L54-A105 HydrophobicContact CD1-CB 4.36Å
55	T	90.1	Very high	91.3	Very high	73 Å²	73	56.1 Å²	56.1	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-32.7	180	-57.3	0	0	0	0	111.9	M51 A52 M53 L57	M51-T55 PolarHBondContact O-N 3.41Å; M51-T55 PolarHBondContact O-OG1 3.4Å; A52-T55 PolarHBondContact O-N 3.28Å; M53-T55 VanDerWaalsContact C-N 3.3Å; M53-T55 PolarHBondContact O-N 3.27Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 3.43Å
56	R	89.6	Confident	91.6	Very high	140 Å²	140	52.1 Å²	52.1	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-74.3	-17.1	175.9	-67.2	172.1	52	174.3	-8.2	114.1	Q12 A52 M53 L54	Q12-R56 PolarHBondContact O-NH1 2.87Å; Q12-R56 PolarHBondContact O-NH2 3.45Å; Q12-R56 VanDerWaalsContact O-NH2 3.14Å; A52-R56 PolarHBondContact O-N 3Å; M53-R56 WeakPolarHBondContact O-CB 3.48Å; M53-R56 PolarHBondContact O-N 3.44Å; M53-R56 VanDerWaalsContact O-N 3.16Å; L54-R56 PolarHBondContact O-N 2.88Å
57	L	88.6	Confident	91.8	Very high	17 Å²	17	55.4 Å²	55.4	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-96	-11.6	-179	-65.6	172.1	0	0	0	113.1	M53 L54 T55 Y68 I69 Y72	M53-L57 HydrophobicContact SD-CD1 3.96Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 3.41Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 3.43Å; L57-Y68 HydrophobicContact CB-CD1 4.35Å; L57-Y68 HydrophobicContact CB-CE1 3.99Å; L57-Y68 HydrophobicContact CD2-CE1 4.01Å; L57-Y68 WeakPolarHBondContact O-CD1 3.14Å; L57-Y68 WeakPolarHBondContact O-CE1 3.24Å; L57-I69 HydrophobicContact CB-CG1 4.28Å; L57-Y72 HydrophobicContact CD1-CD1 3.48Å; L57-Y72 VanDerWaalsContact CD1-CD1 3.48Å; L57-Y72 HydrophobicContact CD1-CD2 4.22Å; L57-Y72 HydrophobicContact CD1-CE1 3.52Å; L57-Y72 HydrophobicContact CD1-CE2 4.25Å; L57-Y72 HydrophobicContact CD1-CG 3.82Å; L57-Y72 HydrophobicContact CD2-CD2 4.15Å; L57-Y72 HydrophobicContact CD2-CE2 3.94Å
58	M	90.1	Very high	91.9	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.074	28%	0.277	C	S	.	.			trans	-75.2	141.7	-176.2	-70.4	172.1	-157.5	0	0	111.8	L54 I69 A105 L106 R109	L54-M58 HydrophobicContact CB-CE 4.21Å; L54-M58 WeakPolarHBondContact O-CG 3.07Å; L54-M58 PolarHBondContact O-N 3.33Å; M58-I69 HydrophobicContact CE-CD1 4.49Å; M58-I69 HydrophobicContact CG-CD1 3.75Å; M58-A105 HydrophobicContact CE-CB 3.26Å; M58-L106 HydrophobicContact CE-CD2 4.21Å; M58-L106 HydrophobicContact CE-CG 4.26Å; M58-L106 HydrophobicContact CG-CD2 3.61Å; M58-L106 HydrophobicContact SD-CD2 3.82Å; M58-L106 HydrophobicContact SD-CG 4.45Å; M58-R109 PolarHBondContact O-NH1 3.5Å; M58-R109 PolarHBondContact O-NH2 2.91Å; M58-R109 HydrophobicContact SD-CB 3.97Å; M58-R109 VanDerWaalsContact SD-CD 3.53Å; M58-R109 HydrophobicContact SD-CG 4.38Å
59	D	87.2	Confident	92.1	Very high	85 Å²	85	53 Å²	53	46%	0.455	26%	0.257	S	S	.	.			trans	-98.4	-179.1	172.6	-158.7	-13.8	0	0	0	110.1	D61 S65 R109 F110	D59-D61 VanDerWaalsContact C-N 3.29Å; D59-D61 PolarHBondContact O-N 3.22Å; D59-S65 WeakPolarHBondContact CA-OG 3.27Å; D59-S65 PolarHBondContact N-OG 3.28Å; D59-S65 PolarHBondContact O-OG 2.9Å; D59-S65 VanDerWaalsContact O-OG 3.05Å; D59-R109 VanDerWaalsContact C-NH2 3.26Å; D59-R109 PolarHBondContact O-NE 3.14Å; D59-R109 PolarHBondContact O-NH2 2.72Å; D59-F110 WeakPolarHBondContact O-CZ 3.37Å
60	D	87.9	Confident	92.4	Very high	129 Å²	129	46 Å²	46	69%	0.69	23%	0.231	S	C	*	.	S	Bend	trans	-80	-7.6	-179.8	-67.5	-24.6	0	0	0	113.8	R109 F110	D60-R109 IonicContact OD1-NH2 2.67Å; D60-R109 PolarHBondContact OD1-NH2 3.1Å; D60-F110 WeakPolarHBondContact O-CE1 3.35Å
61	D	91.4	Very high	92.5	Very high	63 Å²	63	48.5 Å²	48.5	34%	0.337	25%	0.248	S	C	.	.	S	Bend	trans	-108.7	126.8	173.9	172.8	60	0	0	0	111.7	D59 K63 T64 S65	D59-D61 VanDerWaalsContact C-N 3.29Å; D59-D61 PolarHBondContact O-N 3.22Å; D61-K63 PolarHBondContact O-N 3.45Å; D61-K63 WeakPolarHBondContact OD2-CB 3.33Å; D61-K63 PolarHBondContact OD2-N 3.17Å; D61-T64 PolarHBondContact O-N 2.92Å; D61-T64 WeakPolarHBondContact OD2-CB 3.28Å; D61-T64 PolarHBondContact OD2-N 3.12Å; D61-T64 PolarHBondContact OD2-OG1 3.32Å; D61-S65 VanDerWaalsContact O-CB 3.27Å; D61-S65 WeakPolarHBondContact O-CB 3.37Å; D61-S65 PolarHBondContact O-N 3.4Å; D61-S65 PolarHBondContact O-OG 2.89Å
62	P	92.1	Very high	92.5	Very high	7 Å²	7	48.1 Å²	48.1	5%	0.045	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-35.2	-178.7	22.5	-34.1	0	0	0	113.7	M66 F110 L120 L123 Y124	P62-M66 WeakPolarHBondContact O-CB 3.27Å; P62-M66 PolarHBondContact O-N 3.14Å; P62-M66 VanDerWaalsContact O-N 3.09Å; P62-F110 HydrophobicContact CB-CD2 3.89Å; P62-F110 HydrophobicContact CB-CE2 3.86Å; P62-F110 HydrophobicContact CB-CG 4.28Å; P62-F110 HydrophobicContact CB-CZ 4.2Å; P62-L120 HydrophobicContact CB-CD1 3.65Å; P62-L120 HydrophobicContact CG-CD1 4.09Å; P62-L123 HydrophobicContact CG-CD1 3.79Å; P62-Y124 HydrophobicContact CB-CE1 3.76Å
63	K	93.9	Very high	92.6	Very high	74 Å²	74	45.5 Å²	45.5	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-70.2	-47.2	179.7	-76.1	-180	167.3	152.4	0	111.2	D61 M66 R67 L123 A127	D61-K63 PolarHBondContact O-N 3.45Å; D61-K63 WeakPolarHBondContact OD2-CB 3.33Å; D61-K63 PolarHBondContact OD2-N 3.17Å; K63-M66 PolarHBondContact O-N 3.26Å; K63-R67 WeakPolarHBondContact O-CG 3.24Å; K63-R67 PolarHBondContact O-N 2.98Å; K63-L123 HydrophobicContact CD-CD2 4.16Å; K63-L123 HydrophobicContact CG-CB 3.99Å; K63-L123 HydrophobicContact CG-CD2 4.26Å; K63-A127 HydrophobicContact CB-CB 4.27Å; K63-A127 HydrophobicContact CG-CB 4.36Å
64	T	94.3	Very high	92.8	Very high	67 Å²	67	44.8 Å²	44.8	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-64	-44.5	179.2	-58.8	0	0	0	0	110.1	D61 M66 R67 Y68	D61-T64 PolarHBondContact O-N 2.92Å; D61-T64 WeakPolarHBondContact OD2-CB 3.28Å; D61-T64 PolarHBondContact OD2-N 3.12Å; D61-T64 PolarHBondContact OD2-OG1 3.32Å; T64-M66 PolarHBondContact O-N 3.28Å; T64-R67 PolarHBondContact O-N 3.38Å; T64-Y68 VanDerWaalsContact O-CB 3.27Å; T64-Y68 WeakPolarHBondContact O-CB 3.31Å; T64-Y68 PolarHBondContact O-N 2.99Å
65	S	94.6	Very high	92.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-46.2	175.3	-61	0	0	0	0	112.5	D59 D61 R67 Y68 I69 L106	D59-S65 WeakPolarHBondContact CA-OG 3.27Å; D59-S65 PolarHBondContact N-OG 3.28Å; D59-S65 PolarHBondContact O-OG 2.9Å; D59-S65 VanDerWaalsContact O-OG 3.05Å; D61-S65 VanDerWaalsContact O-CB 3.27Å; D61-S65 WeakPolarHBondContact O-CB 3.37Å; D61-S65 PolarHBondContact O-N 3.4Å; D61-S65 PolarHBondContact O-OG 2.89Å; S65-R67 PolarHBondContact O-N 3.26Å; S65-Y68 PolarHBondContact O-N 3.41Å; S65-I69 WeakPolarHBondContact O-CB 3.44Å; S65-I69 VanDerWaalsContact O-CG1 3.22Å; S65-I69 WeakPolarHBondContact O-CG1 3.36Å; S65-I69 PolarHBondContact O-N 3.49Å; S65-L106 VanDerWaalsContact CB-CD2 3.43Å
66	M	96.5	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-48.5	176.6	179.6	59.9	86.5	0	0	111.5	P62 K63 T64 Y68 I69 L70 Y99 V102 R103 L106 Y124 A127	P62-M66 WeakPolarHBondContact O-CB 3.27Å; P62-M66 PolarHBondContact O-N 3.14Å; P62-M66 VanDerWaalsContact O-N 3.09Å; K63-M66 PolarHBondContact O-N 3.26Å; T64-M66 PolarHBondContact O-N 3.28Å; M66-Y68 PolarHBondContact O-N 3.48Å; M66-I69 PolarHBondContact O-N 2.91Å; M66-L70 HydrophobicContact CG-CD1 4.23Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.27Å; M66-L70 PolarHBondContact O-N 3.12Å; M66-L70 HydrophobicContact SD-CD1 4.17Å; M66-L70 HydrophobicContact SD-CG 4.21Å; M66-Y99 HydrophobicContact CE-CE2 4.02Å; M66-Y99 HydrophobicContact SD-CE2 4.05Å; M66-V102 HydrophobicContact CE-CG1 4.05Å; M66-V102 HydrophobicContact SD-CG1 3.62Å; M66-R103 HydrophobicContact CE-CG 3.92Å; M66-L106 HydrophobicContact CB-CD1 3.98Å; M66-L106 HydrophobicContact CE-CD1 3.6Å; M66-L106 HydrophobicContact SD-CD1 3.97Å; M66-Y124 HydrophobicContact CB-CD1 4.3Å; M66-Y124 HydrophobicContact CE-CD1 3.86Å; M66-Y124 HydrophobicContact CE-CD2 4.22Å; M66-Y124 HydrophobicContact CE-CG 3.64Å; M66-A127 HydrophobicContact CB-CB 3.93Å; M66-A127 HydrophobicContact CG-CB 3.92Å
67	R	96.3	Very high	93.4	Very high	78 Å²	78	43.1 Å²	43.1	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-43.6	179.1	-72.3	-179.2	139.1	-134.1	-11.7	112.1	K63 T64 S65 L70 S71 A127 S130 D134	K63-R67 WeakPolarHBondContact O-CG 3.24Å; K63-R67 PolarHBondContact O-N 2.98Å; T64-R67 PolarHBondContact O-N 3.38Å; S65-R67 PolarHBondContact O-N 3.26Å; R67-L70 PolarHBondContact O-N 2.78Å; R67-S71 WeakPolarHBondContact O-CB 3.23Å; R67-S71 PolarHBondContact O-N 3.35Å; R67-S71 PolarHBondContact O-OG 2.68Å; R67-A127 HydrophobicContact CG-CB 4.09Å; R67-S130 PolarHBondContact NH2-O 2.59Å; R67-S130 PolarHBondContact NH2-OG 2.78Å; R67-D134 IonicContact CZ-OD2 3.18Å; R67-D134 IonicContact NH1-OD2 2.78Å; R67-D134 PolarHBondContact NH1-OD2 3.48Å; R67-D134 IonicContact NH2-OD2 2.89Å; R67-D134 PolarHBondContact NH2-OD2 2.91Å
68	Y	95.3	Very high	93.7	Very high	111 Å²	111	42.4 Å²	42.4	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-49.1	179.5	179.6	-106.4	0	0	0	111	L57 T64 S65 M66 L70 S71 Y72	L57-Y68 HydrophobicContact CB-CD1 4.35Å; L57-Y68 HydrophobicContact CB-CE1 3.99Å; L57-Y68 HydrophobicContact CD2-CE1 4.01Å; L57-Y68 WeakPolarHBondContact O-CD1 3.14Å; L57-Y68 WeakPolarHBondContact O-CE1 3.24Å; T64-Y68 VanDerWaalsContact O-CB 3.27Å; T64-Y68 WeakPolarHBondContact O-CB 3.31Å; T64-Y68 PolarHBondContact O-N 2.99Å; S65-Y68 PolarHBondContact O-N 3.41Å; M66-Y68 PolarHBondContact O-N 3.48Å; Y68-L70 PolarHBondContact O-N 3.4Å; Y68-S71 CarbonylContact O-C 3.56Å; Y68-S71 PolarHBondContact O-N 3.25Å; Y68-S71 VanDerWaalsContact O-N 3.11Å; Y68-S71 PolarHBondContact O-OG 3.24Å; Y68-Y72 WeakPolarHBondContact O-CB 3.22Å; Y68-Y72 PolarHBondContact O-N 3.04Å
69	I	95.6	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-43.7	178.6	-70.1	168.1	0	0	0	111.4	L54 L57 M58 S65 M66 S71 Y72 I73 V102 L106	L54-I69 HydrophobicContact CD2-CG2 3.59Å; L57-I69 HydrophobicContact CB-CG1 4.28Å; M58-I69 HydrophobicContact CE-CD1 4.49Å; M58-I69 HydrophobicContact CG-CD1 3.75Å; S65-I69 WeakPolarHBondContact O-CB 3.44Å; S65-I69 VanDerWaalsContact O-CG1 3.22Å; S65-I69 WeakPolarHBondContact O-CG1 3.36Å; S65-I69 PolarHBondContact O-N 3.49Å; M66-I69 PolarHBondContact O-N 2.91Å; I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 3.11Å; I69-Y72 WeakPolarHBondContact O-CB 3.18Å; I69-Y72 PolarHBondContact O-N 2.82Å; I69-I73 HydrophobicContact CG2-CD1 3.66Å; I69-I73 HydrophobicContact CG2-CG1 4.35Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 3.49Å; I69-V102 HydrophobicContact CB-CG1 4.34Å; I69-V102 HydrophobicContact CD1-CG1 4.36Å; I69-V102 HydrophobicContact CG2-CB 4.34Å; I69-V102 HydrophobicContact CG2-CG1 3.74Å; I69-V102 HydrophobicContact CG2-CG2 3.58Å; I69-L106 HydrophobicContact CD1-CD1 4.47Å; I69-L106 HydrophobicContact CD1-CD2 4.02Å; I69-L106 HydrophobicContact CD1-CG 4.28Å
70	L	96.7	Very high	94.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-41.4	175.4	-67.4	175.2	0	0	0	111.5	M66 R67 Y68 Y72 I73 M74 Y99 T128 Y131	M66-L70 HydrophobicContact CG-CD1 4.23Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.27Å; M66-L70 PolarHBondContact O-N 3.12Å; M66-L70 HydrophobicContact SD-CD1 4.17Å; M66-L70 HydrophobicContact SD-CG 4.21Å; R67-L70 PolarHBondContact O-N 2.78Å; Y68-L70 PolarHBondContact O-N 3.4Å; L70-Y72 VanDerWaalsContact C-N 3.27Å; L70-Y72 PolarHBondContact O-N 3.39Å; L70-I73 PolarHBondContact O-N 3.4Å; L70-M74 HydrophobicContact CD2-CE 3.78Å; L70-M74 WeakPolarHBondContact O-CG 3.12Å; L70-M74 PolarHBondContact O-N 3.42Å; L70-M74 VanDerWaalsContact O-N 3.11Å; L70-Y99 HydrophobicContact CD2-CD2 4.24Å; L70-T128 HydrophobicContact CD1-CG2 4.04Å; L70-Y131 HydrophobicContact CB-CD1 3.78Å; L70-Y131 HydrophobicContact CB-CD2 4.43Å; L70-Y131 HydrophobicContact CB-CE1 3.64Å; L70-Y131 HydrophobicContact CB-CE2 4.32Å; L70-Y131 HydrophobicContact CB-CG 4.18Å; L70-Y131 HydrophobicContact CD1-CD1 3.8Å; L70-Y131 HydrophobicContact CD1-CE1 4.43Å; L70-Y131 HydrophobicContact CD1-CG 4.18Å; L70-Y131 HydrophobicContact CG-CD1 4.43Å; L70-Y131 PolarHBondContact O-OH 3.49Å
71	S	94.9	Very high	94.7	Very high	52 Å²	52	36.2 Å²	36.2	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-66.6	-29.1	176.4	78.6	0	0	0	0	113.7	R67 Y68 I69 Y131	R67-S71 WeakPolarHBondContact O-CB 3.23Å; R67-S71 PolarHBondContact O-N 3.35Å; R67-S71 PolarHBondContact O-OG 2.68Å; Y68-S71 CarbonylContact O-C 3.56Å; Y68-S71 PolarHBondContact O-N 3.25Å; Y68-S71 VanDerWaalsContact O-N 3.11Å; Y68-S71 PolarHBondContact O-OG 3.24Å; I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 3.11Å; S71-Y131 WeakPolarHBondContact CA-OH 3.21Å
72	Y	93	Very high	94.9	Very high	28 Å²	28	33.2 Å²	33.2	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-72.9	-42.7	174.6	-176.1	-92.6	0	0	0	111.2	P14 R15 F26 P27 M53 L57 Y68 I69 L70	P14-Y72 PolarHBondContact O-OH 3.05Å; R15-Y72 WeakPolarHBondContact CA-OH 3.32Å; R15-Y72 HydrophobicContact CG-CE2 4.35Å; R15-Y72 PolarHBondContact N-OH 3.41Å; R15-Y72 VanDerWaalsContact N-OH 3.08Å; F26-Y72 HydrophobicContact CB-CD1 4.11Å; F26-Y72 HydrophobicContact CB-CE1 3.74Å; F26-Y72 WeakPolarHBondContact CB-O 3.4Å; F26-Y72 HydrophobicContact CD1-CD1 4.44Å; F26-Y72 HydrophobicContact CD1-CE1 4.44Å; F26-Y72 AromaticContact CD2-CE1 3.76Å; F26-Y72 HydrophobicContact CD2-CE1 3.76Å; F26-Y72 HydrophobicContact CE2-CE1 4.49Å; F26-Y72 HydrophobicContact CG-CD1 4.11Å; F26-Y72 AromaticContact CG-CE1 3.72Å; F26-Y72 HydrophobicContact CG-CE1 3.72Å; P27-Y72 WeakPolarHBondContact CA-O 3.32Å; P27-Y72 WeakPolarHBondContact CB-O 3.47Å; M53-Y72 HydrophobicContact SD-CE1 4.02Å; L57-Y72 HydrophobicContact CD1-CD1 3.48Å; L57-Y72 VanDerWaalsContact CD1-CD1 3.48Å; L57-Y72 HydrophobicContact CD1-CD2 4.22Å; L57-Y72 HydrophobicContact CD1-CE1 3.52Å; L57-Y72 HydrophobicContact CD1-CE2 4.25Å; L57-Y72 HydrophobicContact CD1-CG 3.82Å; L57-Y72 HydrophobicContact CD2-CD2 4.15Å; L57-Y72 HydrophobicContact CD2-CE2 3.94Å; Y68-Y72 WeakPolarHBondContact O-CB 3.22Å; Y68-Y72 PolarHBondContact O-N 3.04Å; I69-Y72 WeakPolarHBondContact O-CB 3.18Å; I69-Y72 PolarHBondContact O-N 2.82Å; L70-Y72 VanDerWaalsContact C-N 3.27Å; L70-Y72 PolarHBondContact O-N 3.39Å
73	I	93.9	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-71.5	-41.8	-176.1	-69.6	168.4	0	0	0	111.9	F26 L28 L34 L37 F50 L54 I69 L70 F98 V102	F26-I73 WeakPolarHBondContact CD1-O 3.2Å; F26-I73 HydrophobicContact CE1-CB 4.36Å; F26-I73 HydrophobicContact CE1-CG1 4.32Å; F26-I73 HydrophobicContact CE1-CG2 4.2Å; L28-I73 WeakPolarHBondContact CB-O 3.39Å; L28-I73 VanDerWaalsContact CG-O 3.3Å; L28-I73 WeakPolarHBondContact CG-O 3.4Å; L28-I73 PolarHBondContact N-O 2.97Å; L34-I73 HydrophobicContact CD1-CG2 4Å; L37-I73 HydrophobicContact CD2-CG2 4.32Å; F50-I73 HydrophobicContact CZ-CD1 3.95Å; L54-I73 HydrophobicContact CD2-CD1 4.22Å; I69-I73 HydrophobicContact CG2-CD1 3.66Å; I69-I73 HydrophobicContact CG2-CG1 4.35Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 3.49Å; L70-I73 PolarHBondContact O-N 3.4Å; I73-F98 HydrophobicContact CD1-CD2 4.01Å; I73-F98 HydrophobicContact CD1-CE2 4.45Å; I73-F98 HydrophobicContact CG2-CD2 4.19Å; I73-F98 HydrophobicContact CG2-CE2 4.13Å; I73-V102 HydrophobicContact CD1-CG2 3.76Å
74	M	94.8	Very high	95.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-137.7	140.9	-167.8	71.5	-170.5	85.8	0	0	113.1	L70 V78 A79 I93 F98 Y131 F132	L70-M74 HydrophobicContact CD2-CE 3.78Å; L70-M74 WeakPolarHBondContact O-CG 3.12Å; L70-M74 PolarHBondContact O-N 3.42Å; L70-M74 VanDerWaalsContact O-N 3.11Å; M74-V78 HydrophobicContact CB-CB 4.29Å; M74-V78 HydrophobicContact CB-CG1 4.39Å; M74-A79 HydrophobicContact CG-CB 3.96Å; M74-A79 HydrophobicContact SD-CB 3.78Å; M74-I93 HydrophobicContact CE-CD1 4.37Å; M74-F98 HydrophobicContact CE-CE2 3.69Å; M74-F98 HydrophobicContact CE-CZ 3.74Å; M74-Y131 HydrophobicContact CG-CE1 4.47Å; M74-Y131 PolarHBondContact O-OH 3.34Å; M74-Y131 HydrophobicContact SD-CE1 4.38Å; M74-F132 HydrophobicContact SD-CE1 4.31Å
75	K	94.5	Very high	95.1	Very high	86 Å²	86	34 Å²	34	37%	0.374	17%	0.165	S	C	.	.			trans	-66.3	157.8	170.7	-74	-171.8	-174.1	171.4	0	111.1	P27 L28 E77 V78 A79	P27-K75 HydrophobicContact CB-CG 4.04Å; P27-K75 HydrophobicContact CG-CG 3.74Å; L28-K75 WeakPolarHBondContact O-CB 3.31Å; L28-K75 PolarHBondContact O-N 3.42Å; K75-E77 PolarHBondContact O-N 3.2Å; K75-V78 PolarHBondContact O-N 2.91Å; K75-A79 PolarHBondContact O-N 3.32Å
76	P	95.1	Very high	95	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-51.6	-40.6	173.5	-24.4	31.6	0	0	0	112.8	V78 A79 I80 M135 K138 V139	P76-V78 PolarHBondContact O-N 3.43Å; P76-A79 PolarHBondContact O-N 3.45Å; P76-A79 VanDerWaalsContact O-N 3.14Å; P76-I80 WeakPolarHBondContact O-CG2 3.35Å; P76-I80 PolarHBondContact O-N 2.94Å; P76-M135 HydrophobicContact CB-CB 4.3Å; P76-M135 HydrophobicContact CB-CG 4.48Å; P76-M135 HydrophobicContact CB-SD 3.81Å; P76-M135 HydrophobicContact CG-SD 3.66Å; P76-K138 HydrophobicContact CG-CD 4.04Å; P76-V139 HydrophobicContact CB-CG2 3.66Å
77	E	94	Very high	94.9	Very high	78 Å²	78	39 Å²	39	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-60.9	-27.3	-179	-68.6	70.3	-154.7	0	0	113.3	K75 I80 R142	K75-E77 PolarHBondContact O-N 3.2Å; E77-I80 WeakPolarHBondContact O-CG1 3.49Å; E77-R142 IonicContact OE1-CZ 3.24Å; E77-R142 IonicContact OE1-NH1 3.4Å; E77-R142 PolarHBondContact OE1-NH1 3.44Å; E77-R142 IonicContact OE2-NH1 2.88Å
78	V	94.9	Very high	94.6	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-89.5	-41.1	173.5	-176.8	0	0	0	0	110.5	S29 L34 M74 K75 P76 I80 N81 F82	S29-V78 VanDerWaalsContact O-CG2 3.31Å; S29-V78 WeakPolarHBondContact O-CG2 3.48Å; L34-V78 HydrophobicContact CD2-CG1 3.82Å; M74-V78 HydrophobicContact CB-CB 4.29Å; M74-V78 HydrophobicContact CB-CG1 4.39Å; K75-V78 PolarHBondContact O-N 2.91Å; P76-V78 PolarHBondContact O-N 3.43Å; V78-I80 VanDerWaalsContact C-N 3.27Å; V78-I80 PolarHBondContact O-N 3.33Å; V78-N81 WeakPolarHBondContact O-CB 3.3Å; V78-N81 PolarHBondContact O-N 3.13Å; V78-F82 HydrophobicContact CG1-CE2 4.28Å
79	A	96.4	Very high	94.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-33.7	-177.5	0	0	0	0	0	113.5	M74 K75 P76 N81 F82 Y131 F132 M135	M74-A79 HydrophobicContact CG-CB 3.96Å; M74-A79 HydrophobicContact SD-CB 3.78Å; K75-A79 PolarHBondContact O-N 3.32Å; P76-A79 PolarHBondContact O-N 3.45Å; P76-A79 VanDerWaalsContact O-N 3.14Å; A79-N81 PolarHBondContact O-N 2.86Å; A79-N81 VanDerWaalsContact O-N 3.15Å; A79-F82 PolarHBondContact O-N 3.26Å; A79-F82 VanDerWaalsContact O-N 3.16Å; A79-Y131 HydrophobicContact CB-CE1 3.85Å; A79-F132 HydrophobicContact CB-CD1 4.22Å; A79-F132 HydrophobicContact CB-CE1 4.37Å; A79-F132 WeakPolarHBondContact O-CD1 3.33Å; A79-M135 HydrophobicContact CB-CB 3.95Å; A79-M135 HydrophobicContact CB-CG 3.8Å
80	I	95	Very high	94.3	Very high	42 Å²	42	44 Å²	44	22%	0.215	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.8	-179.7	59.1	167.9	0	0	0	113.9	P76 E77 V78 F82 K90 R136 V139	P76-I80 WeakPolarHBondContact O-CG2 3.35Å; P76-I80 PolarHBondContact O-N 2.94Å; E77-I80 WeakPolarHBondContact O-CG1 3.49Å; V78-I80 VanDerWaalsContact C-N 3.27Å; V78-I80 PolarHBondContact O-N 3.33Å; I80-F82 PolarHBondContact O-N 3.17Å; I80-K90 WeakPolarHBondContact O-CD 3.43Å; I80-K90 WeakPolarHBondContact O-CE 3.42Å; I80-R136 HydrophobicContact CB-CG 4.04Å; I80-R136 HydrophobicContact CG2-CB 4.26Å; I80-R136 HydrophobicContact CG2-CG 3.64Å; I80-V139 HydrophobicContact CD1-CG1 4.27Å; I80-V139 HydrophobicContact CG2-CB 4.22Å; I80-V139 HydrophobicContact CG2-CG2 3.88Å
81	N	95.4	Very high	94.2	Very high	57 Å²	57	48.3 Å²	48.3	31%	0.305	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.3	179.9	-63.4	-21.1	0	0	0	113	V78 A79 K90 R91	V78-N81 WeakPolarHBondContact O-CB 3.3Å; V78-N81 PolarHBondContact O-N 3.13Å; A79-N81 PolarHBondContact O-N 2.86Å; A79-N81 VanDerWaalsContact O-N 3.15Å; N81-K90 CarbonylContact O-C 3.57Å; N81-K90 WeakPolarHBondContact O-CA 3.38Å; N81-K90 WeakPolarHBondContact O-CB 3.48Å; N81-R91 PolarHBondContact O-N 2.87Å
82	F	96.5	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151.6	-177.5	-69.2	-85	0	0	0	113.3	L34 V78 A79 I80 R91 I93 F132	L34-F82 HydrophobicContact CD2-CE2 3.44Å; L34-F82 VanDerWaalsContact CD2-CE2 3.44Å; L34-F82 HydrophobicContact CD2-CZ 3.44Å; L34-F82 VanDerWaalsContact CD2-CZ 3.44Å; V78-F82 HydrophobicContact CG1-CE2 4.28Å; A79-F82 PolarHBondContact O-N 3.26Å; A79-F82 VanDerWaalsContact O-N 3.16Å; I80-F82 PolarHBondContact O-N 3.17Å; F82-R91 WeakPolarHBondContact CA-O 3.32Å; F82-R91 HydrophobicContact CD1-CB 3.87Å; F82-R91 HydrophobicContact CE1-CB 3.81Å; F82-I93 HydrophobicContact CB-CD1 4.41Å; F82-I93 HydrophobicContact CD1-CB 4.19Å; F82-I93 HydrophobicContact CD1-CD1 3.7Å; F82-I93 HydrophobicContact CD2-CD1 4.49Å; F82-I93 HydrophobicContact CE1-CD1 3.99Å; F82-I93 HydrophobicContact CG-CD1 3.96Å; F82-I93 HydrophobicContact CZ-CD1 4.48Å; F82-F132 HydrophobicContact CB-CD1 4.43Å; F82-F132 HydrophobicContact CB-CE1 3.86Å; F82-F132 HydrophobicContact CB-CE2 3.98Å; F82-F132 HydrophobicContact CB-CZ 3.61Å; F82-F132 HydrophobicContact CG-CZ 4.48Å
83	T	95.7	Very high	94.4	Very high	23 Å²	23	45 Å²	45	14%	0.141	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	171.9	157.9	67.4	0	0	0	0	109.1	G86 T87 K90 R91 I93	T83-G86 VanDerWaalsContact OG1-C 3.22Å; T83-G86 WeakPolarHBondContact OG1-CA 3.4Å; T83-G86 PolarHBondContact OG1-N 2.72Å; T83-G86 PolarHBondContact OG1-O 3.47Å; T83-T87 HydrophobicContact CG2-CG2 4.09Å; T83-K90 HydrophobicContact CG2-CB 3.94Å; T83-K90 HydrophobicContact CG2-CD 3.59Å; T83-K90 HydrophobicContact CG2-CG 4.39Å; T83-R91 PolarHBondContact N-O 2.85Å; T83-I93 PolarHBondContact O-N 2.97Å
84	L	95.1	Very high	94.5	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.068	27%	0.272	C	S	.	.	S	Bend	trans	-59.1	-51	-179.5	-173.2	65.4	0	0	0	112	I93 Q94 D125 T128 Q129	L84-I93 HydrophobicContact CD1-CG2 4.03Å; L84-Q94 HydrophobicContact CD1-CG 3.94Å; L84-Q94 HydrophobicContact CG-CG 4.36Å; L84-Q94 WeakPolarHBondContact O-CG 3.19Å; L84-Q94 PolarHBondContact O-N 3.08Å; L84-D125 HydrophobicContact CD2-CB 3.78Å; L84-T128 HydrophobicContact CD1-CG2 4.18Å; L84-Q129 HydrophobicContact CB-CG 4.01Å; L84-Q129 HydrophobicContact CD2-CG 4.13Å
85	L	93.6	Very high	94.5	Very high	128 Å²	128	57.6 Å²	57.6	67%	0.67	31%	0.309	S	S	*	.	S	Bend	trans	-105.8	-3.8	-174.1	-60.6	177.8	0	0	0	114.3	A92	L85-A92 WeakPolarHBondContact O-CB 3.44Å
86	G	93.1	Very high	94.6	Very high	26 Å²	26	54.3 Å²	54.3	27%	0.268	30%	0.297	S	S	.	.			trans	84.6	159.8	-171.6	0	0	0	0	0	112.9	T83 K90	T83-G86 VanDerWaalsContact OG1-C 3.22Å; T83-G86 WeakPolarHBondContact OG1-CA 3.4Å; T83-G86 PolarHBondContact OG1-N 2.72Å; T83-G86 PolarHBondContact OG1-O 3.47Å; G86-K90 WeakPolarHBondContact CA-O 3.32Å
87	T	93.3	Very high	94.6	Very high	78 Å²	78	59.3 Å²	59.3	48%	0.479	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-138.8	179.6	167.9	65.5	0	0	0	0	108.5	T83 S89 K90	T83-T87 HydrophobicContact CG2-CG2 4.09Å; T87-S89 PolarHBondContact O-N 3.37Å; T87-S89 VanDerWaalsContact O-N 3.14Å; T87-S89 PolarHBondContact OG1-N 3.47Å; T87-K90 PolarHBondContact N-O 3.01Å; T87-K90 PolarHBondContact O-N 3.45Å; T87-K90 WeakPolarHBondContact OG1-CB 3.4Å; T87-K90 PolarHBondContact OG1-N 3.26Å
88	S	90.3	Very high	94.7	Very high	135 Å²	135	55.7 Å²	55.7	94%	0.944	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.7	174.7	52.7	0	0	0	0	114
89	S	90.6	Very high	94.8	Very high	94 Å²	94	55.6 Å²	55.6	66%	0.657	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-3.6	-176.8	56.5	0	0	0	0	114.8	T87	T87-S89 PolarHBondContact O-N 3.37Å; T87-S89 VanDerWaalsContact O-N 3.14Å; T87-S89 PolarHBondContact OG1-N 3.47Å
90	K	93.5	Very high	94.8	Very high	66 Å²	66	57.4 Å²	57.4	29%	0.287	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-138.1	141.6	-174.4	-64.8	-173.7	177.5	106.7	0	111.4	I80 N81 T83 G86 T87	I80-K90 WeakPolarHBondContact O-CD 3.43Å; I80-K90 WeakPolarHBondContact O-CE 3.42Å; N81-K90 CarbonylContact O-C 3.57Å; N81-K90 WeakPolarHBondContact O-CA 3.38Å; N81-K90 WeakPolarHBondContact O-CB 3.48Å; T83-K90 HydrophobicContact CG2-CB 3.94Å; T83-K90 HydrophobicContact CG2-CD 3.59Å; T83-K90 HydrophobicContact CG2-CG 4.39Å; G86-K90 WeakPolarHBondContact CA-O 3.32Å; T87-K90 PolarHBondContact N-O 3.01Å; T87-K90 PolarHBondContact O-N 3.45Å; T87-K90 WeakPolarHBondContact OG1-CB 3.4Å; T87-K90 PolarHBondContact OG1-N 3.26Å
91	R	94.5	Very high	94.8	Very high	91 Å²	91	55.9 Å²	55.9	34%	0.343	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	150.7	-180	-64.1	-171.9	-61	176.3	-1.6	111.4	E31 N81 F82 T83	E31-R91 VanDerWaalsContact CD-NH2 3.26Å; E31-R91 VanDerWaalsContact CG-NH2 3.27Å; E31-R91 IonicContact OE1-CZ 3.35Å; E31-R91 IonicContact OE1-NE 3.46Å; E31-R91 PolarHBondContact OE1-NE 3.44Å; E31-R91 VanDerWaalsContact OE1-NE 3.13Å; E31-R91 IonicContact OE1-NH1 2.72Å; E31-R91 PolarHBondContact OE1-NH1 3.45Å; E31-R91 IonicContact OE1-NH2 3.92Å; E31-R91 PolarHBondContact OE1-NH2 3.16Å; E31-R91 IonicContact OE2-NH2 3.76Å; N81-R91 PolarHBondContact O-N 2.87Å; F82-R91 WeakPolarHBondContact CA-O 3.32Å; F82-R91 HydrophobicContact CD1-CB 3.87Å; F82-R91 HydrophobicContact CE1-CB 3.81Å; T83-R91 PolarHBondContact N-O 2.85Å
92	A	96.3	Very high	94.9	Very high	10 Å²	10	53.1 Å²	53.1	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.1	174.1	0	0	0	0	0	109.8	L85 Q94 K95	L85-A92 WeakPolarHBondContact O-CB 3.44Å; A92-Q94 PolarHBondContact O-N 2.84Å; A92-K95 HydrophobicContact CB-CB 4.45Å; A92-K95 HydrophobicContact CB-CD 4.02Å; A92-K95 HydrophobicContact CB-CG 3.93Å; A92-K95 WeakPolarHBondContact O-CB 3.45Å; A92-K95 PolarHBondContact O-N 3.01Å
93	I	96.5	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-60.8	-31.1	177.8	-163.4	69.9	0	0	0	111.8	M74 F82 T83 L84 K95 C96 F98 Y99 T128 F132	M74-I93 HydrophobicContact CE-CD1 4.37Å; F82-I93 HydrophobicContact CB-CD1 4.41Å; F82-I93 HydrophobicContact CD1-CB 4.19Å; F82-I93 HydrophobicContact CD1-CD1 3.7Å; F82-I93 HydrophobicContact CD2-CD1 4.49Å; F82-I93 HydrophobicContact CE1-CD1 3.99Å; F82-I93 HydrophobicContact CG-CD1 3.96Å; F82-I93 HydrophobicContact CZ-CD1 4.48Å; T83-I93 PolarHBondContact O-N 2.97Å; L84-I93 HydrophobicContact CD1-CG2 4.03Å; I93-K95 PolarHBondContact O-N 2.73Å; I93-K95 VanDerWaalsContact O-N 3.13Å; I93-C96 WeakPolarHBondContact O-CB 3.27Å; I93-C96 PolarHBondContact O-N 2.9Å; I93-F98 HydrophobicContact CD1-CE1 4.21Å; I93-F98 HydrophobicContact CD1-CE2 4.13Å; I93-F98 HydrophobicContact CD1-CZ 3.43Å; I93-F98 VanDerWaalsContact CD1-CZ 3.43Å; I93-Y99 HydrophobicContact CG1-CD1 4.21Å; I93-Y99 HydrophobicContact CG1-CD2 3.77Å; I93-Y99 HydrophobicContact CG1-CE2 4.36Å; I93-Y99 HydrophobicContact CG1-CG 3.69Å; I93-Y99 HydrophobicContact CG2-CD1 4.13Å; I93-Y99 HydrophobicContact CG2-CE1 3.98Å; I93-Y99 HydrophobicContact CG2-CE2 4.4Å; I93-Y99 HydrophobicContact CG2-CG 4.38Å; I93-Y99 WeakPolarHBondContact O-CB 3.32Å; I93-Y99 WeakPolarHBondContact O-CD1 3.42Å; I93-T128 HydrophobicContact CG2-CG2 4.02Å; I93-F132 HydrophobicContact CB-CE2 4.04Å; I93-F132 HydrophobicContact CB-CZ 3.96Å; I93-F132 HydrophobicContact CD1-CZ 3.95Å; I93-F132 HydrophobicContact CG1-CE2 4.36Å; I93-F132 HydrophobicContact CG1-CZ 3.85Å; I93-F132 HydrophobicContact CG2-CE2 3.98Å; I93-F132 HydrophobicContact CG2-CZ 4.31Å
94	Q	95.4	Very high	94.7	Very high	87 Å²	87	57.1 Å²	57.1	41%	0.407	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62	-18.8	177.1	-75.5	-177.2	-6.9	0	0	113.6	L84 A92 Y99	L84-Q94 HydrophobicContact CD1-CG 3.94Å; L84-Q94 HydrophobicContact CG-CG 4.36Å; L84-Q94 WeakPolarHBondContact O-CG 3.19Å; L84-Q94 PolarHBondContact O-N 3.08Å; A92-Q94 PolarHBondContact O-N 2.84Å; Q94-Y99 HydrophobicContact CG-CD1 4.48Å; Q94-Y99 HydrophobicContact CG-CE1 3.91Å
95	K	94.9	Very high	94.6	Very high	178 Å²	178	56.7 Å²	56.7	77%	0.774	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-85.6	-10.3	175.9	-65.4	-176.3	179.4	-177.5	0	113.2	A92 I93	A92-K95 HydrophobicContact CB-CB 4.45Å; A92-K95 HydrophobicContact CB-CD 4.02Å; A92-K95 HydrophobicContact CB-CG 3.93Å; A92-K95 WeakPolarHBondContact O-CB 3.45Å; A92-K95 PolarHBondContact O-N 3.01Å; I93-K95 PolarHBondContact O-N 2.73Å; I93-K95 VanDerWaalsContact O-N 3.13Å
96	C	96	Very high	94.6	Very high	17 Å²	17	50.6 Å²	50.6	12%	0.115	28%	0.279	C	S	.	.			trans	-84.9	131.7	179.9	-58.8	0	0	0	0	111.1	I93 F98 Y99 G100	I93-C96 WeakPolarHBondContact O-CB 3.27Å; I93-C96 PolarHBondContact O-N 2.9Å; C96-F98 VanDerWaalsContact C-N 3.35Å; C96-F98 HydrophobicContact CB-CD1 3.59Å; C96-F98 HydrophobicContact CB-CE1 3.39Å; C96-F98 HydrophobicContact CB-CZ 4.23Å; C96-F98 PolarHBondContact O-N 3.44Å; C96-Y99 PolarHBondContact O-N 2.65Å; C96-G100 PolarHBondContact O-N 3.09Å
97	R	96.3	Very high	94.6	Very high	120 Å²	120	50.4 Å²	50.4	45%	0.453	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-41	177.1	-61.8	175.6	178	-82.1	10.4	112	D38 L41 E42 Y99 G100 C101	D38-R97 VanDerWaalsContact CG-N 3.33Å; D38-R97 VanDerWaalsContact O-CD 3.31Å; D38-R97 WeakPolarHBondContact O-CD 3.44Å; D38-R97 WeakPolarHBondContact OD1-CA 3.23Å; D38-R97 WeakPolarHBondContact OD1-CB 3.44Å; D38-R97 PolarHBondContact OD1-N 3.26Å; D38-R97 PolarHBondContact OD2-N 2.86Å; D38-R97 VanDerWaalsContact OD2-N 3.16Å; L41-R97 HydrophobicContact CB-CB 4.33Å; E42-R97 IonicContact OE1-CZ 3.31Å; E42-R97 IonicContact OE1-NE 3.17Å; E42-R97 PolarHBondContact OE1-NE 2.89Å; E42-R97 IonicContact OE1-NH2 2.95Å; E42-R97 PolarHBondContact OE1-NH2 2.82Å; R97-Y99 VanDerWaalsContact C-N 3.27Å; R97-Y99 PolarHBondContact O-N 2.74Å; R97-G100 WeakPolarHBondContact O-CA 3.35Å; R97-G100 PolarHBondContact O-N 3.44Å; R97-G100 VanDerWaalsContact O-N 3.13Å; R97-C101 PolarHBondContact O-N 2.9Å; R97-C101 PolarHBondContact O-SG 3.37Å
98	F	95.2	Very high	94.5	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-40.5	178.4	80	-94.4	0	0	0	111.5	L34 L37 D38 L41 F50 I73 M74 I93 C96 C101 V102	L34-F98 HydrophobicContact CD1-CD1 3.93Å; L34-F98 HydrophobicContact CD1-CE1 3.57Å; L34-F98 HydrophobicContact CD1-CE2 4.44Å; L34-F98 HydrophobicContact CD1-CZ 3.83Å; L34-F98 HydrophobicContact CD2-CE1 3.95Å; L34-F98 HydrophobicContact CD2-CZ 4.15Å; L34-F98 HydrophobicContact CG-CD1 4.4Å; L34-F98 HydrophobicContact CG-CE1 3.83Å; L34-F98 HydrophobicContact CG-CZ 4.35Å; L37-F98 HydrophobicContact CD2-CB 4.22Å; D38-F98 WeakPolarHBondContact OD1-CD1 3.47Å; D38-F98 PolarHBondContact OD1-N 3.27Å; L41-F98 HydrophobicContact CD1-CB 3.43Å; L41-F98 VanDerWaalsContact CD1-CB 3.43Å; F50-F98 HydrophobicContact CE1-CB 4.16Å; F50-F98 HydrophobicContact CZ-CB 4.24Å; I73-F98 HydrophobicContact CD1-CD2 4.01Å; I73-F98 HydrophobicContact CD1-CE2 4.45Å; I73-F98 HydrophobicContact CG2-CD2 4.19Å; I73-F98 HydrophobicContact CG2-CE2 4.13Å; M74-F98 HydrophobicContact CE-CE2 3.69Å; M74-F98 HydrophobicContact CE-CZ 3.74Å; I93-F98 HydrophobicContact CD1-CE1 4.21Å; I93-F98 HydrophobicContact CD1-CE2 4.13Å; I93-F98 HydrophobicContact CD1-CZ 3.43Å; I93-F98 VanDerWaalsContact CD1-CZ 3.43Å; C96-F98 VanDerWaalsContact C-N 3.35Å; C96-F98 HydrophobicContact CB-CD1 3.59Å; C96-F98 HydrophobicContact CB-CE1 3.39Å; C96-F98 HydrophobicContact CB-CZ 4.23Å; C96-F98 PolarHBondContact O-N 3.44Å; F98-C101 WeakPolarHBondContact O-CB 3.41Å; F98-C101 PolarHBondContact O-N 3.11Å; F98-C101 VanDerWaalsContact O-N 3.14Å; F98-V102 WeakPolarHBondContact O-CG2 3.22Å; F98-V102 PolarHBondContact O-N 2.71Å
99	Y	97.3	Very high	94.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-37.6	178	179.7	-108.4	0	0	0	111.7	M66 L70 I93 Q94 C96 R97 C101 V102 R103 T128	M66-Y99 HydrophobicContact CE-CE2 4.02Å; M66-Y99 HydrophobicContact SD-CE2 4.05Å; L70-Y99 HydrophobicContact CD2-CD2 4.24Å; I93-Y99 HydrophobicContact CG1-CD1 4.21Å; I93-Y99 HydrophobicContact CG1-CD2 3.77Å; I93-Y99 HydrophobicContact CG1-CE2 4.36Å; I93-Y99 HydrophobicContact CG1-CG 3.69Å; I93-Y99 HydrophobicContact CG2-CD1 4.13Å; I93-Y99 HydrophobicContact CG2-CE1 3.98Å; I93-Y99 HydrophobicContact CG2-CE2 4.4Å; I93-Y99 HydrophobicContact CG2-CG 4.38Å; I93-Y99 WeakPolarHBondContact O-CB 3.32Å; I93-Y99 WeakPolarHBondContact O-CD1 3.42Å; Q94-Y99 HydrophobicContact CG-CD1 4.48Å; Q94-Y99 HydrophobicContact CG-CE1 3.91Å; C96-Y99 PolarHBondContact O-N 2.65Å; R97-Y99 VanDerWaalsContact C-N 3.27Å; R97-Y99 PolarHBondContact O-N 2.74Å; Y99-C101 VanDerWaalsContact C-N 3.3Å; Y99-C101 PolarHBondContact O-N 3.4Å; Y99-V102 PolarHBondContact O-N 2.77Å; Y99-R103 HydrophobicContact CD1-CG 4.47Å; Y99-R103 VanDerWaalsContact CE1-CD 3.49Å; Y99-R103 HydrophobicContact CE1-CG 4.08Å; Y99-R103 HydrophobicContact CE2-CG 4.33Å; Y99-R103 WeakPolarHBondContact O-CG 3.45Å; Y99-R103 PolarHBondContact O-N 3.25Å; Y99-R103 PolarHBondContact OH-NH1 3.33Å; Y99-R103 VanDerWaalsContact OH-NH1 3.14Å; Y99-T128 HydrophobicContact CE2-CG2 4.03Å; Y99-T128 PolarHBondContact OH-OG1 2.89Å
100	G	96.5	Very high	94.4	Very high	38 Å²	38	45.1 Å²	45.1	39%	0.392	22%	0.218	S	C	.	.	H	α-helix	trans	-57.2	-42.5	168.8	0	0	0	0	0	112.5	C96 R97 R103 S104	C96-G100 PolarHBondContact O-N 3.09Å; R97-G100 WeakPolarHBondContact O-CA 3.35Å; R97-G100 PolarHBondContact O-N 3.44Å; R97-G100 VanDerWaalsContact O-N 3.13Å; G100-R103 PolarHBondContact O-N 3.48Å; G100-S104 WeakPolarHBondContact O-CB 3.29Å; G100-S104 PolarHBondContact O-N 2.96Å
101	C	95.7	Very high	93.9	Very high	9 Å²	9	46 Å²	46	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-43.5	175.6	-60.8	0	0	0	0	111.9	F50 M51 L54 R97 F98 Y99 S104 A105	F50-C101 HydrophobicContact CD1-CB 3.83Å; F50-C101 HydrophobicContact CE1-CB 3.87Å; M51-C101 HydrophobicContact CG-CB 4.26Å; L54-C101 HydrophobicContact CD1-CB 4.47Å; R97-C101 PolarHBondContact O-N 2.9Å; R97-C101 PolarHBondContact O-SG 3.37Å; F98-C101 WeakPolarHBondContact O-CB 3.41Å; F98-C101 PolarHBondContact O-N 3.11Å; F98-C101 VanDerWaalsContact O-N 3.14Å; Y99-C101 VanDerWaalsContact C-N 3.3Å; Y99-C101 PolarHBondContact O-N 3.4Å; C101-S104 PolarHBondContact O-N 3.47Å; C101-A105 VanDerWaalsContact O-CB 3.27Å; C101-A105 WeakPolarHBondContact O-CB 3.26Å; C101-A105 PolarHBondContact O-N 3.03Å
102	V	96	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-50	175.1	174.7	0	0	0	0	111.1	L54 M66 I69 I73 F98 Y99 S104 A105 L106	L54-V102 HydrophobicContact CD1-CB 4.43Å; L54-V102 HydrophobicContact CD1-CG2 3.81Å; L54-V102 HydrophobicContact CD2-CG2 4.22Å; M66-V102 HydrophobicContact CE-CG1 4.05Å; M66-V102 HydrophobicContact SD-CG1 3.62Å; I69-V102 HydrophobicContact CB-CG1 4.34Å; I69-V102 HydrophobicContact CD1-CG1 4.36Å; I69-V102 HydrophobicContact CG2-CB 4.34Å; I69-V102 HydrophobicContact CG2-CG1 3.74Å; I69-V102 HydrophobicContact CG2-CG2 3.58Å; I73-V102 HydrophobicContact CD1-CG2 3.76Å; F98-V102 WeakPolarHBondContact O-CG2 3.22Å; F98-V102 PolarHBondContact O-N 2.71Å; Y99-V102 PolarHBondContact O-N 2.77Å; V102-S104 PolarHBondContact O-N 3.06Å; V102-A105 PolarHBondContact O-N 3.39Å; V102-L106 HydrophobicContact CG1-CD1 3.79Å; V102-L106 HydrophobicContact CG1-CG 4.47Å; V102-L106 WeakPolarHBondContact O-CB 3.42Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.42Å; V102-L106 PolarHBondContact O-N 3.42Å
103	R	95.5	Very high	91.7	Very high	56 Å²	56	48.6 Å²	48.6	21%	0.211	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-48	176.9	-72.3	-178	75.3	105.5	-9	111.6	M66 Y99 G100 A105 L106 T107 Y124 D125	M66-R103 HydrophobicContact CE-CG 3.92Å; Y99-R103 HydrophobicContact CD1-CG 4.47Å; Y99-R103 VanDerWaalsContact CE1-CD 3.49Å; Y99-R103 HydrophobicContact CE1-CG 4.08Å; Y99-R103 HydrophobicContact CE2-CG 4.33Å; Y99-R103 WeakPolarHBondContact O-CG 3.45Å; Y99-R103 PolarHBondContact O-N 3.25Å; Y99-R103 PolarHBondContact OH-NH1 3.33Å; Y99-R103 VanDerWaalsContact OH-NH1 3.14Å; G100-R103 PolarHBondContact O-N 3.48Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 2.74Å; R103-L106 PolarHBondContact O-N 3.36Å; R103-T107 VanDerWaalsContact O-CB 3.24Å; R103-T107 WeakPolarHBondContact O-CB 3.39Å; R103-T107 PolarHBondContact O-N 3.42Å; R103-T107 PolarHBondContact O-OG1 3.47Å; R103-Y124 HydrophobicContact CG-CD2 4.5Å; R103-D125 IonicContact CZ-OD1 2.92Å; R103-D125 IonicContact NH1-OD1 2.78Å; R103-D125 PolarHBondContact NH1-OD1 3.49Å; R103-D125 IonicContact NH2-OD1 3.41Å
104	S	94	Very high	90.6	Very high	51 Å²	51	55 Å²	55	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-44.7	-179.7	178.9	0	0	0	0	111.8	G100 C101 V102 T107 N108	G100-S104 WeakPolarHBondContact O-CB 3.29Å; G100-S104 PolarHBondContact O-N 2.96Å; C101-S104 PolarHBondContact O-N 3.47Å; V102-S104 PolarHBondContact O-N 3.06Å; S104-T107 PolarHBondContact O-N 3.15Å; S104-N108 WeakPolarHBondContact O-CB 3.48Å; S104-N108 PolarHBondContact O-N 2.9Å; S104-N108 PolarHBondContact O-ND2 3.34Å
105	A	93.4	Very high	90	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-43.8	-179.3	0	0	0	0	0	111.4	M51 L54 M58 C101 V102 R103 N108 R109	M51-A105 HydrophobicContact CE-CB 4.04Å; L54-A105 HydrophobicContact CB-CB 4.37Å; L54-A105 HydrophobicContact CD1-CB 4.36Å; M58-A105 HydrophobicContact CE-CB 3.26Å; C101-A105 VanDerWaalsContact O-CB 3.27Å; C101-A105 WeakPolarHBondContact O-CB 3.26Å; C101-A105 PolarHBondContact O-N 3.03Å; V102-A105 PolarHBondContact O-N 3.39Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 2.74Å; A105-N108 PolarHBondContact O-N 2.9Å; A105-R109 PolarHBondContact O-N 3.24Å; A105-R109 VanDerWaalsContact O-N 3.14Å
106	L	93.4	Very high	89.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-44.8	175.4	-69.4	167.6	0	0	0	111.8	M58 S65 M66 I69 V102 R103 N108 R109 F110 Y124	M58-L106 HydrophobicContact CE-CD2 4.21Å; M58-L106 HydrophobicContact CE-CG 4.26Å; M58-L106 HydrophobicContact CG-CD2 3.61Å; M58-L106 HydrophobicContact SD-CD2 3.82Å; M58-L106 HydrophobicContact SD-CG 4.45Å; S65-L106 VanDerWaalsContact CB-CD2 3.43Å; M66-L106 HydrophobicContact CB-CD1 3.98Å; M66-L106 HydrophobicContact CE-CD1 3.6Å; M66-L106 HydrophobicContact SD-CD1 3.97Å; I69-L106 HydrophobicContact CD1-CD1 4.47Å; I69-L106 HydrophobicContact CD1-CD2 4.02Å; I69-L106 HydrophobicContact CD1-CG 4.28Å; V102-L106 HydrophobicContact CG1-CD1 3.79Å; V102-L106 HydrophobicContact CG1-CG 4.47Å; V102-L106 WeakPolarHBondContact O-CB 3.42Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.42Å; V102-L106 PolarHBondContact O-N 3.42Å; R103-L106 PolarHBondContact O-N 3.36Å; L106-N108 VanDerWaalsContact C-N 3.33Å; L106-N108 PolarHBondContact O-N 3Å; L106-R109 PolarHBondContact O-N 3.11Å; L106-R109 VanDerWaalsContact O-N 3.13Å; L106-F110 HydrophobicContact CD2-CE2 4.05Å; L106-F110 VanDerWaalsContact O-CD2 3.23Å; L106-F110 WeakPolarHBondContact O-CD2 3.42Å; L106-F110 PolarHBondContact O-N 3.2Å; L106-Y124 HydrophobicContact CB-CE1 3.87Å; L106-Y124 HydrophobicContact CB-CE2 4.17Å; L106-Y124 VanDerWaalsContact CB-CZ 3.46Å; L106-Y124 WeakPolarHBondContact CB-OH 3.32Å; L106-Y124 HydrophobicContact CD1-CD1 4.24Å; L106-Y124 HydrophobicContact CD1-CE1 3.87Å; L106-Y124 HydrophobicContact CG-CE1 4.42Å; L106-Y124 PolarHBondContact O-OH 3.18Å
107	T	92.8	Very high	89.3	Confident	23 Å²	23	54.1 Å²	54.1	14%	0.141	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-47.8	175.3	-67.8	0	0	0	0	110.5	R103 S104 R109 F110 L111 Y124	R103-T107 VanDerWaalsContact O-CB 3.24Å; R103-T107 WeakPolarHBondContact O-CB 3.39Å; R103-T107 PolarHBondContact O-N 3.42Å; R103-T107 PolarHBondContact O-OG1 3.47Å; S104-T107 PolarHBondContact O-N 3.15Å; T107-R109 VanDerWaalsContact C-N 3.27Å; T107-R109 PolarHBondContact O-N 3.23Å; T107-F110 PolarHBondContact O-N 3.05Å; T107-L111 HydrophobicContact CG2-CD1 3.45Å; T107-L111 VanDerWaalsContact CG2-CD1 3.45Å; T107-L111 HydrophobicContact CG2-CD2 4.1Å; T107-L111 HydrophobicContact CG2-CG 3.52Å; T107-L111 VanDerWaalsContact O-CB 3.25Å; T107-L111 WeakPolarHBondContact O-CB 3.36Å; T107-L111 WeakPolarHBondContact O-CG 3.41Å; T107-L111 PolarHBondContact O-N 2.98Å; T107-Y124 PolarHBondContact N-OH 2.98Å
108	N	90.6	Very high	89.1	Confident	104 Å²	104	56.4 Å²	56.4	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-35.4	177.3	-69.8	-18	0	0	0	113	S104 A105 L106	S104-N108 WeakPolarHBondContact O-CB 3.48Å; S104-N108 PolarHBondContact O-N 2.9Å; S104-N108 PolarHBondContact O-ND2 3.34Å; A105-N108 PolarHBondContact O-N 2.9Å; L106-N108 VanDerWaalsContact C-N 3.33Å; L106-N108 PolarHBondContact O-N 3Å
109	R	90.2	Very high	89	Confident	76 Å²	76	59.4 Å²	59.4	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-48.8	174.6	-177.6	173.2	175	152.4	-8.7	111.8	M58 D59 D60 A105 L106 T107 S112	M58-R109 PolarHBondContact O-NH1 3.5Å; M58-R109 PolarHBondContact O-NH2 2.91Å; M58-R109 HydrophobicContact SD-CB 3.97Å; M58-R109 VanDerWaalsContact SD-CD 3.53Å; M58-R109 HydrophobicContact SD-CG 4.38Å; D59-R109 VanDerWaalsContact C-NH2 3.26Å; D59-R109 PolarHBondContact O-NE 3.14Å; D59-R109 PolarHBondContact O-NH2 2.72Å; D60-R109 IonicContact OD1-NH2 2.67Å; D60-R109 PolarHBondContact OD1-NH2 3.1Å; A105-R109 PolarHBondContact O-N 3.24Å; A105-R109 VanDerWaalsContact O-N 3.14Å; L106-R109 PolarHBondContact O-N 3.11Å; L106-R109 VanDerWaalsContact O-N 3.13Å; T107-R109 VanDerWaalsContact C-N 3.27Å; T107-R109 PolarHBondContact O-N 3.23Å; R109-S112 PolarHBondContact O-OG 3.48Å; R109-S112 VanDerWaalsContact O-OG 3.07Å
110	F	89	Confident	88.8	Confident	16 Å²	16	59.3 Å²	59.3	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-94.2	-9.1	-170.1	-66.5	-71.7	0	0	0	115	D59 D60 P62 L106 T107 S112 S113 L120	D59-F110 WeakPolarHBondContact O-CZ 3.37Å; D60-F110 WeakPolarHBondContact O-CE1 3.35Å; P62-F110 HydrophobicContact CB-CD2 3.89Å; P62-F110 HydrophobicContact CB-CE2 3.86Å; P62-F110 HydrophobicContact CB-CG 4.28Å; P62-F110 HydrophobicContact CB-CZ 4.2Å; L106-F110 HydrophobicContact CD2-CE2 4.05Å; L106-F110 VanDerWaalsContact O-CD2 3.23Å; L106-F110 WeakPolarHBondContact O-CD2 3.42Å; L106-F110 PolarHBondContact O-N 3.2Å; T107-F110 PolarHBondContact O-N 3.05Å; F110-S112 PolarHBondContact O-N 2.85Å; F110-S113 WeakPolarHBondContact O-CB 3.39Å; F110-S113 PolarHBondContact O-N 3.24Å; F110-S113 PolarHBondContact O-OG 3.05Å; F110-L120 HydrophobicContact CB-CD1 3.99Å; F110-L120 HydrophobicContact CB-CD2 3.87Å; F110-L120 HydrophobicContact CG-CD1 4.45Å
111	L	82	Confident	88.6	Confident	84 Å²	84	58.9 Å²	58.9	44%	0.44	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.5	173.6	-84.4	177.8	0	0	0	112.9	T107 S113 E117	T107-L111 HydrophobicContact CG2-CD1 3.45Å; T107-L111 VanDerWaalsContact CG2-CD1 3.45Å; T107-L111 HydrophobicContact CG2-CD2 4.1Å; T107-L111 HydrophobicContact CG2-CG 3.52Å; T107-L111 VanDerWaalsContact O-CB 3.25Å; T107-L111 WeakPolarHBondContact O-CB 3.36Å; T107-L111 WeakPolarHBondContact O-CG 3.41Å; T107-L111 PolarHBondContact O-N 2.98Å; L111-S113 PolarHBondContact O-N 2.99Å; L111-E117 HydrophobicContact CD2-CB 4.15Å; L111-E117 HydrophobicContact CD2-CG 4.42Å
112	S	76.5	Confident	88.6	Confident	113 Å²	113	64.1 Å²	64.1	79%	0.79	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.1	172.6	65.9	0	0	0	0	113	R109 F110	R109-S112 PolarHBondContact O-OG 3.48Å; R109-S112 VanDerWaalsContact O-OG 3.07Å; F110-S112 PolarHBondContact O-N 2.85Å
113	S	69.5	Low	88.5	Confident	42 Å²	42	66 Å²	66	29%	0.294	36%	0.355	S	S	.	.	S	Bend	trans	-82.5	158.1	174.8	78.6	0	0	0	0	110.3	F110 L111 I115	F110-S113 WeakPolarHBondContact O-CB 3.39Å; F110-S113 PolarHBondContact O-N 3.24Å; F110-S113 PolarHBondContact O-OG 3.05Å; L111-S113 PolarHBondContact O-N 2.99Å; S113-I115 PolarHBondContact O-N 3.13Å; S113-I115 WeakPolarHBondContact OG-CG1 3.31Å
114	S	73.5	Confident	88.5	Confident	134 Å²	134	63.4 Å²	63.4	94%	0.937	35%	0.345	S	S	*	.	S	Bend	trans	-63.5	10.3	178.7	57.5	0	0	0	0	115
115	I	81.5	Confident	88.6	Confident	57 Å²	57	62.9 Å²	62.9	29%	0.292	34%	0.339	S	S	.	.			trans	-88	126.9	-180	-56.3	175	0	0	0	108.6	S113 D119 L120	S113-I115 PolarHBondContact O-N 3.13Å; S113-I115 WeakPolarHBondContact OG-CG1 3.31Å; I115-D119 HydrophobicContact CG2-CB 4.47Å; I115-L120 HydrophobicContact CG2-CB 4.22Å
116	N	88	Confident	88.8	Confident	81 Å²	81	67.7 Å²	67.7	43%	0.433	36%	0.362	S	S	.	.			trans	-72.2	151.8	175.5	68.8	68.3	0	0	0	111.7	K118 D119 L120	N116-K118 VanDerWaalsContact C-N 3.27Å; N116-K118 PolarHBondContact O-N 3.46Å; N116-K118 PolarHBondContact OD1-N 3.24Å; N116-D119 PolarHBondContact ND2-OD2 2.86Å; N116-D119 PolarHBondContact O-N 3.18Å; N116-D119 WeakPolarHBondContact OD1-CB 3.32Å; N116-D119 VanDerWaalsContact OD1-CG 3.28Å; N116-D119 PolarHBondContact OD1-N 2.88Å; N116-D119 PolarHBondContact OD1-OD2 3.35Å; N116-L120 PolarHBondContact O-N 2.89Å
117	E	89.2	Confident	89	Confident	127 Å²	127	67.9 Å²	67.9	59%	0.593	36%	0.364	S	S	*	.	H	α-helix	trans	-59	-34.8	-176.8	-171.5	-178.1	176.8	0	0	113.4	L111 L120 A121	L111-E117 HydrophobicContact CD2-CB 4.15Å; L111-E117 HydrophobicContact CD2-CG 4.42Å; E117-L120 PolarHBondContact O-N 3.46Å; E117-A121 WeakPolarHBondContact O-CB 3.45Å; E117-A121 PolarHBondContact O-N 3.44Å
118	K	91.8	Very high	89.2	Confident	168 Å²	168	66.8 Å²	66.8	73%	0.73	36%	0.357	S	S	*	.	H	α-helix	trans	-67.7	-42	-179.5	-69.4	-177	-179.8	177.7	0	112	N116 A121 K122	N116-K118 VanDerWaalsContact C-N 3.27Å; N116-K118 PolarHBondContact O-N 3.46Å; N116-K118 PolarHBondContact OD1-N 3.24Å; K118-A121 PolarHBondContact O-N 2.96Å; K118-K122 WeakPolarHBondContact O-CG 3.47Å; K118-K122 PolarHBondContact O-N 2.92Å; K118-K122 VanDerWaalsContact O-N 3.15Å
119	D	92.1	Very high	89.5	Confident	64 Å²	64	66.9 Å²	66.9	34%	0.342	35%	0.354	S	S	.	.	H	α-helix	trans	-71.4	-39	177.8	-70.8	-23	0	0	0	110.1	I115 N116 A121 K122 L123	I115-D119 HydrophobicContact CG2-CB 4.47Å; N116-D119 PolarHBondContact ND2-OD2 2.86Å; N116-D119 PolarHBondContact O-N 3.18Å; N116-D119 WeakPolarHBondContact OD1-CB 3.32Å; N116-D119 VanDerWaalsContact OD1-CG 3.28Å; N116-D119 PolarHBondContact OD1-N 2.88Å; N116-D119 PolarHBondContact OD1-OD2 3.35Å; D119-A121 VanDerWaalsContact C-N 3.32Å; D119-A121 PolarHBondContact O-N 2.7Å; D119-K122 WeakPolarHBondContact O-CB 3.11Å; D119-K122 PolarHBondContact O-N 3.22Å; D119-K122 VanDerWaalsContact O-N 3.11Å; D119-K122 IonicContact OD1-NZ 3.88Å; D119-K122 PolarHBondContact OD1-NZ 2.66Å; D119-L123 VanDerWaalsContact O-CG 3.32Å; D119-L123 WeakPolarHBondContact O-CG 3.5Å; D119-L123 PolarHBondContact O-N 2.68Å
120	L	93	Very high	89.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-58.4	-44	172.9	-167.4	60.9	0	0	0	112.2	P62 F110 I115 N116 E117 K122 L123 Y124	P62-L120 HydrophobicContact CB-CD1 3.65Å; P62-L120 HydrophobicContact CG-CD1 4.09Å; F110-L120 HydrophobicContact CB-CD1 3.99Å; F110-L120 HydrophobicContact CB-CD2 3.87Å; F110-L120 HydrophobicContact CG-CD1 4.45Å; I115-L120 HydrophobicContact CG2-CB 4.22Å; N116-L120 PolarHBondContact O-N 2.89Å; E117-L120 PolarHBondContact O-N 3.46Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-K122 PolarHBondContact O-N 3.28Å; L120-L123 HydrophobicContact CD1-CD1 4.4Å; L120-L123 WeakPolarHBondContact O-CB 3.36Å; L120-L123 PolarHBondContact O-N 3.33Å; L120-Y124 HydrophobicContact CD1-CE1 3.79Å; L120-Y124 HydrophobicContact CD1-CE2 4.24Å; L120-Y124 VanDerWaalsContact CD1-OH 3.24Å; L120-Y124 WeakPolarHBondContact CD1-OH 3.24Å; L120-Y124 HydrophobicContact CD2-CE2 4.08Å; L120-Y124 WeakPolarHBondContact CD2-OH 3.36Å; L120-Y124 HydrophobicContact CG-CD2 4.42Å; L120-Y124 HydrophobicContact CG-CE1 4.09Å; L120-Y124 HydrophobicContact CG-CE2 3.59Å; L120-Y124 WeakPolarHBondContact CG-OH 3.43Å; L120-Y124 WeakPolarHBondContact O-CD2 3.5Å; L120-Y124 VanDerWaalsContact O-CG 3.28Å; L120-Y124 PolarHBondContact O-N 3.06Å
121	A	93.5	Very high	90.2	Very high	28 Å²	28	65.3 Å²	65.3	23%	0.231	36%	0.355	C	S	.	.	H	α-helix	trans	-59.1	-42.4	173.9	0	0	0	0	0	112.6	E117 K118 D119 Y124 D125	E117-A121 WeakPolarHBondContact O-CB 3.45Å; E117-A121 PolarHBondContact O-N 3.44Å; K118-A121 PolarHBondContact O-N 2.96Å; D119-A121 VanDerWaalsContact C-N 3.32Å; D119-A121 PolarHBondContact O-N 2.7Å; A121-Y124 PolarHBondContact O-N 2.9Å; A121-D125 VanDerWaalsContact O-CG 3.28Å; A121-D125 PolarHBondContact O-N 2.91Å
122	K	94.9	Very high	90.9	Very high	120 Å²	120	61.4 Å²	61.4	52%	0.522	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-42.5	174.5	-66.8	170.1	-167.6	158.3	0	111.6	K118 D119 L120 Y124 D125 M126	K118-K122 WeakPolarHBondContact O-CG 3.47Å; K118-K122 PolarHBondContact O-N 2.92Å; K118-K122 VanDerWaalsContact O-N 3.15Å; D119-K122 WeakPolarHBondContact O-CB 3.11Å; D119-K122 PolarHBondContact O-N 3.22Å; D119-K122 VanDerWaalsContact O-N 3.11Å; D119-K122 IonicContact OD1-NZ 3.88Å; D119-K122 PolarHBondContact OD1-NZ 2.66Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-K122 PolarHBondContact O-N 3.28Å; K122-Y124 VanDerWaalsContact C-N 3.29Å; K122-Y124 PolarHBondContact O-N 3.19Å; K122-D125 PolarHBondContact O-N 3.07Å; K122-M126 WeakPolarHBondContact O-CB 3.47Å; K122-M126 VanDerWaalsContact O-CG 3.24Å; K122-M126 WeakPolarHBondContact O-CG 3.37Å; K122-M126 PolarHBondContact O-N 3.14Å
123	L	94.8	Very high	91.8	Very high	40 Å²	40	61.3 Å²	61.3	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-43.7	177.5	-63.6	175.4	0	0	0	110.6	P62 K63 D119 L120 A127	P62-L123 HydrophobicContact CG-CD1 3.79Å; K63-L123 HydrophobicContact CD-CD2 4.16Å; K63-L123 HydrophobicContact CG-CB 3.99Å; K63-L123 HydrophobicContact CG-CD2 4.26Å; D119-L123 VanDerWaalsContact O-CG 3.32Å; D119-L123 WeakPolarHBondContact O-CG 3.5Å; D119-L123 PolarHBondContact O-N 2.68Å; L120-L123 HydrophobicContact CD1-CD1 4.4Å; L120-L123 WeakPolarHBondContact O-CB 3.36Å; L120-L123 PolarHBondContact O-N 3.33Å; L123-A127 VanDerWaalsContact O-CB 3.22Å; L123-A127 WeakPolarHBondContact O-CB 3.34Å; L123-A127 PolarHBondContact O-N 3.16Å
124	Y	95.9	Very high	93.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-43.2	176.2	-64.3	-22.3	0	0	0	113.3	P62 M66 R103 L106 T107 L120 A121 K122 A127 T128	P62-Y124 HydrophobicContact CB-CE1 3.76Å; M66-Y124 HydrophobicContact CB-CD1 4.3Å; M66-Y124 HydrophobicContact CE-CD1 3.86Å; M66-Y124 HydrophobicContact CE-CD2 4.22Å; M66-Y124 HydrophobicContact CE-CG 3.64Å; R103-Y124 HydrophobicContact CG-CD2 4.5Å; L106-Y124 HydrophobicContact CB-CE1 3.87Å; L106-Y124 HydrophobicContact CB-CE2 4.17Å; L106-Y124 VanDerWaalsContact CB-CZ 3.46Å; L106-Y124 WeakPolarHBondContact CB-OH 3.32Å; L106-Y124 HydrophobicContact CD1-CD1 4.24Å; L106-Y124 HydrophobicContact CD1-CE1 3.87Å; L106-Y124 HydrophobicContact CG-CE1 4.42Å; L106-Y124 PolarHBondContact O-OH 3.18Å; T107-Y124 PolarHBondContact N-OH 2.98Å; L120-Y124 HydrophobicContact CD1-CE1 3.79Å; L120-Y124 HydrophobicContact CD1-CE2 4.24Å; L120-Y124 VanDerWaalsContact CD1-OH 3.24Å; L120-Y124 WeakPolarHBondContact CD1-OH 3.24Å; L120-Y124 HydrophobicContact CD2-CE2 4.08Å; L120-Y124 WeakPolarHBondContact CD2-OH 3.36Å; L120-Y124 HydrophobicContact CG-CD2 4.42Å; L120-Y124 HydrophobicContact CG-CE1 4.09Å; L120-Y124 HydrophobicContact CG-CE2 3.59Å; L120-Y124 WeakPolarHBondContact CG-OH 3.43Å; L120-Y124 WeakPolarHBondContact O-CD2 3.5Å; L120-Y124 VanDerWaalsContact O-CG 3.28Å; L120-Y124 PolarHBondContact O-N 3.06Å; A121-Y124 PolarHBondContact O-N 2.9Å; K122-Y124 VanDerWaalsContact C-N 3.29Å; K122-Y124 PolarHBondContact O-N 3.19Å; Y124-A127 PolarHBondContact O-N 3.37Å; Y124-T128 VanDerWaalsContact O-CB 3.26Å; Y124-T128 WeakPolarHBondContact O-CB 3.34Å; Y124-T128 PolarHBondContact O-N 2.94Å; Y124-T128 PolarHBondContact O-OG1 3.22Å
125	D	96.2	Very high	94.2	Very high	41 Å²	41	56.9 Å²	56.9	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-44.1	178.8	-70.5	-15.2	0	0	0	110.9	L84 R103 A121 K122 T128 Q129	L84-D125 HydrophobicContact CD2-CB 3.78Å; R103-D125 IonicContact CZ-OD1 2.92Å; R103-D125 IonicContact NH1-OD1 2.78Å; R103-D125 PolarHBondContact NH1-OD1 3.49Å; R103-D125 IonicContact NH2-OD1 3.41Å; A121-D125 VanDerWaalsContact O-CG 3.28Å; A121-D125 PolarHBondContact O-N 2.91Å; K122-D125 PolarHBondContact O-N 3.07Å; D125-T128 PolarHBondContact O-N 3.15Å; D125-Q129 WeakPolarHBondContact O-CB 3.46Å; D125-Q129 VanDerWaalsContact O-CG 3.32Å; D125-Q129 WeakPolarHBondContact O-CG 3.36Å; D125-Q129 PolarHBondContact O-N 3.36Å
126	M	97	Very high	94.8	Very high	104 Å²	104	57.9 Å²	57.9	51%	0.512	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-48.1	174.1	-70.1	174.2	74.9	0	0	111.7	K122 T128 S130	K122-M126 WeakPolarHBondContact O-CB 3.47Å; K122-M126 VanDerWaalsContact O-CG 3.24Å; K122-M126 WeakPolarHBondContact O-CG 3.37Å; K122-M126 PolarHBondContact O-N 3.14Å; M126-T128 VanDerWaalsContact C-N 3.34Å; M126-T128 PolarHBondContact O-N 2.95Å; M126-S130 WeakPolarHBondContact O-CB 3.36Å; M126-S130 PolarHBondContact O-N 3.25Å
127	A	96.9	Very high	95.1	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-44.5	179.7	0	0	0	0	0	111.7	K63 M66 R67 L123 Y124 Y131	K63-A127 HydrophobicContact CB-CB 4.27Å; K63-A127 HydrophobicContact CG-CB 4.36Å; M66-A127 HydrophobicContact CB-CB 3.93Å; M66-A127 HydrophobicContact CG-CB 3.92Å; R67-A127 HydrophobicContact CG-CB 4.09Å; L123-A127 VanDerWaalsContact O-CB 3.22Å; L123-A127 WeakPolarHBondContact O-CB 3.34Å; L123-A127 PolarHBondContact O-N 3.16Å; Y124-A127 PolarHBondContact O-N 3.37Å; A127-Y131 VanDerWaalsContact O-CB 3.32Å; A127-Y131 WeakPolarHBondContact O-CB 3.39Å; A127-Y131 PolarHBondContact O-N 2.99Å
128	T	97.7	Very high	95.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-47.9	179.9	-59.1	0	0	0	0	112	L70 L84 I93 Y99 Y124 D125 M126 S130 Y131 F132	L70-T128 HydrophobicContact CD1-CG2 4.04Å; L84-T128 HydrophobicContact CD1-CG2 4.18Å; I93-T128 HydrophobicContact CG2-CG2 4.02Å; Y99-T128 HydrophobicContact CE2-CG2 4.03Å; Y99-T128 PolarHBondContact OH-OG1 2.89Å; Y124-T128 VanDerWaalsContact O-CB 3.26Å; Y124-T128 WeakPolarHBondContact O-CB 3.34Å; Y124-T128 PolarHBondContact O-N 2.94Å; Y124-T128 PolarHBondContact O-OG1 3.22Å; D125-T128 PolarHBondContact O-N 3.15Å; M126-T128 VanDerWaalsContact C-N 3.34Å; M126-T128 PolarHBondContact O-N 2.95Å; T128-S130 VanDerWaalsContact C-N 3.34Å; T128-S130 PolarHBondContact O-N 3.17Å; T128-Y131 WeakPolarHBondContact O-CB 3.25Å; T128-Y131 PolarHBondContact O-N 3.31Å; T128-F132 HydrophobicContact CG2-CD2 4.05Å; T128-F132 HydrophobicContact CG2-CE2 3.45Å; T128-F132 VanDerWaalsContact CG2-CE2 3.45Å; T128-F132 HydrophobicContact CG2-CZ 3.95Å; T128-F132 WeakPolarHBondContact O-CD2 3.36Å; T128-F132 WeakPolarHBondContact O-CG 3.46Å; T128-F132 PolarHBondContact O-N 3.37Å
129	Q	96.9	Very high	95.4	Very high	105 Å²	105	48.6 Å²	48.6	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-44.7	177.2	-75	-178.8	-12.2	0	0	111.7	L84 D125 Y131 F132 H133	L84-Q129 HydrophobicContact CB-CG 4.01Å; L84-Q129 HydrophobicContact CD2-CG 4.13Å; D125-Q129 WeakPolarHBondContact O-CB 3.46Å; D125-Q129 VanDerWaalsContact O-CG 3.32Å; D125-Q129 WeakPolarHBondContact O-CG 3.36Å; D125-Q129 PolarHBondContact O-N 3.36Å; Q129-Y131 VanDerWaalsContact C-N 3.35Å; Q129-F132 PolarHBondContact O-N 2.87Å; Q129-H133 PolarHBondContact O-N 3.44Å
130	S	96.7	Very high	95.4	Very high	52 Å²	52	52.3 Å²	52.3	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-38.4	180	-167.9	0	0	0	0	111	R67 M126 T128 H133 D134	R67-S130 PolarHBondContact NH2-O 2.59Å; R67-S130 PolarHBondContact NH2-OG 2.78Å; M126-S130 WeakPolarHBondContact O-CB 3.36Å; M126-S130 PolarHBondContact O-N 3.25Å; T128-S130 VanDerWaalsContact C-N 3.34Å; T128-S130 PolarHBondContact O-N 3.17Å; S130-H133 WeakPolarHBondContact O-CB 3.44Å; S130-H133 PolarHBondContact O-N 2.9Å; S130-D134 VanDerWaalsContact O-CG 3.28Å; S130-D134 PolarHBondContact O-N 3.13Å
131	Y	97.4	Very high	95.4	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-50.1	171.7	172.4	-103.9	0	0	0	112	L70 S71 M74 A79 A127 T128 Q129 H133 D134 M135	L70-Y131 HydrophobicContact CB-CD1 3.78Å; L70-Y131 HydrophobicContact CB-CD2 4.43Å; L70-Y131 HydrophobicContact CB-CE1 3.64Å; L70-Y131 HydrophobicContact CB-CE2 4.32Å; L70-Y131 HydrophobicContact CB-CG 4.18Å; L70-Y131 HydrophobicContact CD1-CD1 3.8Å; L70-Y131 HydrophobicContact CD1-CE1 4.43Å; L70-Y131 HydrophobicContact CD1-CG 4.18Å; L70-Y131 HydrophobicContact CG-CD1 4.43Å; L70-Y131 PolarHBondContact O-OH 3.49Å; S71-Y131 WeakPolarHBondContact CA-OH 3.21Å; M74-Y131 HydrophobicContact CG-CE1 4.47Å; M74-Y131 PolarHBondContact O-OH 3.34Å; M74-Y131 HydrophobicContact SD-CE1 4.38Å; A79-Y131 HydrophobicContact CB-CE1 3.85Å; A127-Y131 VanDerWaalsContact O-CB 3.32Å; A127-Y131 WeakPolarHBondContact O-CB 3.39Å; A127-Y131 PolarHBondContact O-N 2.99Å; T128-Y131 WeakPolarHBondContact O-CB 3.25Å; T128-Y131 PolarHBondContact O-N 3.31Å; Q129-Y131 VanDerWaalsContact C-N 3.35Å; Y131-H133 VanDerWaalsContact C-N 3.29Å; Y131-H133 PolarHBondContact O-N 3.47Å; Y131-D134 PolarHBondContact O-N 3.09Å; Y131-M135 HydrophobicContact CD1-CG 4.28Å; Y131-M135 HydrophobicContact CD2-CE 3.92Å; Y131-M135 HydrophobicContact CD2-CG 4.16Å; Y131-M135 HydrophobicContact CE1-CG 3.83Å; Y131-M135 HydrophobicContact CE2-CE 3.57Å; Y131-M135 HydrophobicContact CE2-CG 3.68Å; Y131-M135 HydrophobicContact CE2-SD 3.78Å; Y131-M135 HydrophobicContact CG-CG 4.43Å; Y131-M135 VanDerWaalsContact CZ-CG 3.5Å; Y131-M135 WeakPolarHBondContact O-CG 3.07Å; Y131-M135 PolarHBondContact O-N 2.96Å
132	F	96.7	Very high	95.2	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-33.9	178.8	-65.2	-38.8	0	0	0	113	M74 A79 F82 I93 T128 Q129 R136	M74-F132 HydrophobicContact SD-CE1 4.31Å; A79-F132 HydrophobicContact CB-CD1 4.22Å; A79-F132 HydrophobicContact CB-CE1 4.37Å; A79-F132 WeakPolarHBondContact O-CD1 3.33Å; F82-F132 HydrophobicContact CB-CD1 4.43Å; F82-F132 HydrophobicContact CB-CE1 3.86Å; F82-F132 HydrophobicContact CB-CE2 3.98Å; F82-F132 HydrophobicContact CB-CZ 3.61Å; F82-F132 HydrophobicContact CG-CZ 4.48Å; I93-F132 HydrophobicContact CB-CE2 4.04Å; I93-F132 HydrophobicContact CB-CZ 3.96Å; I93-F132 HydrophobicContact CD1-CZ 3.95Å; I93-F132 HydrophobicContact CG1-CE2 4.36Å; I93-F132 HydrophobicContact CG1-CZ 3.85Å; I93-F132 HydrophobicContact CG2-CE2 3.98Å; I93-F132 HydrophobicContact CG2-CZ 4.31Å; T128-F132 HydrophobicContact CG2-CD2 4.05Å; T128-F132 HydrophobicContact CG2-CE2 3.45Å; T128-F132 VanDerWaalsContact CG2-CE2 3.45Å; T128-F132 HydrophobicContact CG2-CZ 3.95Å; T128-F132 WeakPolarHBondContact O-CD2 3.36Å; T128-F132 WeakPolarHBondContact O-CG 3.46Å; T128-F132 PolarHBondContact O-N 3.37Å; Q129-F132 PolarHBondContact O-N 2.87Å; F132-R136 WeakPolarHBondContact O-CG 3.38Å; F132-R136 PolarHBondContact O-N 3.24Å; F132-R136 VanDerWaalsContact O-N 3.1Å; F132-R136 PolarHBondContact O-NE 3.43Å
133	H	95.2	Very high	94.8	Very high	111 Å²	111	59.8 Å²	59.8	51%	0.514	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-50.5	172.1	-179.7	-84.3	0	0	0	110.9	Q129 S130 Y131 M135 R136 D137	Q129-H133 PolarHBondContact O-N 3.44Å; S130-H133 WeakPolarHBondContact O-CB 3.44Å; S130-H133 PolarHBondContact O-N 2.9Å; Y131-H133 VanDerWaalsContact C-N 3.29Å; Y131-H133 PolarHBondContact O-N 3.47Å; H133-M135 PolarHBondContact O-N 3.03Å; H133-R136 PolarHBondContact O-N 3.1Å; H133-D137 PolarHBondContact O-N 2.97Å
134	D	96.5	Very high	94.4	Very high	59 Å²	59	66 Å²	66	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-38.3	-179.9	-65.3	-7.8	0	0	0	112.2	R67 S130 Y131 D137 K138	R67-D134 IonicContact CZ-OD2 3.18Å; R67-D134 IonicContact NH1-OD2 2.78Å; R67-D134 PolarHBondContact NH1-OD2 3.48Å; R67-D134 IonicContact NH2-OD2 2.89Å; R67-D134 PolarHBondContact NH2-OD2 2.91Å; S130-D134 VanDerWaalsContact O-CG 3.28Å; S130-D134 PolarHBondContact O-N 3.13Å; Y131-D134 PolarHBondContact O-N 3.09Å; D134-D137 PolarHBondContact O-N 3.47Å; D134-K138 VanDerWaalsContact O-CB 3.25Å; D134-K138 WeakPolarHBondContact O-CB 3.36Å; D134-K138 PolarHBondContact O-N 2.99Å
135	M	96.6	Very high	93.9	Very high	24 Å²	24	72.3 Å²	72.3	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-39.6	176.4	-67.6	-51.3	108.2	0	0	112.1	P76 A79 Y131 H133 K138 V139	P76-M135 HydrophobicContact CB-CB 4.3Å; P76-M135 HydrophobicContact CB-CG 4.48Å; P76-M135 HydrophobicContact CB-SD 3.81Å; P76-M135 HydrophobicContact CG-SD 3.66Å; A79-M135 HydrophobicContact CB-CB 3.95Å; A79-M135 HydrophobicContact CB-CG 3.8Å; Y131-M135 HydrophobicContact CD1-CG 4.28Å; Y131-M135 HydrophobicContact CD2-CE 3.92Å; Y131-M135 HydrophobicContact CD2-CG 4.16Å; Y131-M135 HydrophobicContact CE1-CG 3.83Å; Y131-M135 HydrophobicContact CE2-CE 3.57Å; Y131-M135 HydrophobicContact CE2-CG 3.68Å; Y131-M135 HydrophobicContact CE2-SD 3.78Å; Y131-M135 HydrophobicContact CG-CG 4.43Å; Y131-M135 VanDerWaalsContact CZ-CG 3.5Å; Y131-M135 WeakPolarHBondContact O-CG 3.07Å; Y131-M135 PolarHBondContact O-N 2.96Å; H133-M135 PolarHBondContact O-N 3.03Å; M135-K138 PolarHBondContact O-N 3.5Å; M135-K138 HydrophobicContact SD-CD 4.48Å; M135-V139 WeakPolarHBondContact O-CG2 3.08Å; M135-V139 PolarHBondContact O-N 3.23Å
136	R	94.8	Very high	93.3	Very high	78 Å²	78	74.8 Å²	74.8	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-46.7	175	-74.4	-176	-62.9	-111.4	4	111.7	I80 F132 H133 K138 V139 Q140	I80-R136 HydrophobicContact CB-CG 4.04Å; I80-R136 HydrophobicContact CG2-CB 4.26Å; I80-R136 HydrophobicContact CG2-CG 3.64Å; F132-R136 WeakPolarHBondContact O-CG 3.38Å; F132-R136 PolarHBondContact O-N 3.24Å; F132-R136 VanDerWaalsContact O-N 3.1Å; F132-R136 PolarHBondContact O-NE 3.43Å; H133-R136 PolarHBondContact O-N 3.1Å; R136-K138 VanDerWaalsContact C-N 3.31Å; R136-K138 PolarHBondContact O-N 2.89Å; R136-V139 PolarHBondContact O-N 3.45Å; R136-Q140 WeakPolarHBondContact O-CB 3.39Å; R136-Q140 PolarHBondContact O-N 3.43Å
137	D	94.4	Very high	92.5	Very high	59 Å²	59	74.9 Å²	74.9	32%	0.316	34%	0.34	S	S	.	.	H	α-helix	trans	-59.1	-43.5	175.3	177.2	64.9	0	0	0	111.2	H133 D134 V139 Q140 K141	H133-D137 PolarHBondContact O-N 2.97Å; D134-D137 PolarHBondContact O-N 3.47Å; D137-V139 PolarHBondContact O-N 3.4Å; D137-Q140 PolarHBondContact O-N 3.37Å; D137-K141 WeakPolarHBondContact O-CB 3.44Å; D137-K141 WeakPolarHBondContact O-CG 3.17Å; D137-K141 PolarHBondContact O-N 2.88Å; D137-K141 VanDerWaalsContact OD1-CE 3.23Å; D137-K141 WeakPolarHBondContact OD1-CE 3.48Å; D137-K141 IonicContact OD1-NZ 3.87Å; D137-K141 PolarHBondContact OD1-NZ 3.15Å; D137-K141 WeakPolarHBondContact OD2-CD 3.23Å; D137-K141 WeakPolarHBondContact OD2-CE 3.41Å; D137-K141 IonicContact OD2-NZ 2.7Å; D137-K141 PolarHBondContact OD2-NZ 3.26Å
138	K	93.6	Very high	91.8	Very high	91 Å²	91	78.7 Å²	78.7	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-45.5	177.4	-172.6	174.7	-176.5	177.3	0	112.7	P76 D134 M135 R136 R142	P76-K138 HydrophobicContact CG-CD 4.04Å; D134-K138 VanDerWaalsContact O-CB 3.25Å; D134-K138 WeakPolarHBondContact O-CB 3.36Å; D134-K138 PolarHBondContact O-N 2.99Å; M135-K138 PolarHBondContact O-N 3.5Å; M135-K138 HydrophobicContact SD-CD 4.48Å; R136-K138 VanDerWaalsContact C-N 3.31Å; R136-K138 PolarHBondContact O-N 2.89Å; K138-R142 WeakPolarHBondContact O-CG 3.34Å; K138-R142 PolarHBondContact O-N 2.89Å; K138-R142 VanDerWaalsContact O-N 3.09Å
139	V	93.4	Very high	90.7	Very high	32 Å²	32	84.7 Å²	84.7	19%	0.194	39%	0.385	C	S	.	.	H	α-helix	trans	-66.8	-42.8	177.4	173	0	0	0	0	110.7	P76 I80 M135 R136 D137 K141 R142 H143	P76-V139 HydrophobicContact CB-CG2 3.66Å; I80-V139 HydrophobicContact CD1-CG1 4.27Å; I80-V139 HydrophobicContact CG2-CB 4.22Å; I80-V139 HydrophobicContact CG2-CG2 3.88Å; M135-V139 WeakPolarHBondContact O-CG2 3.08Å; M135-V139 PolarHBondContact O-N 3.23Å; R136-V139 PolarHBondContact O-N 3.45Å; D137-V139 PolarHBondContact O-N 3.4Å; V139-K141 PolarHBondContact O-N 3.36Å; V139-R142 WeakPolarHBondContact O-CB 3.43Å; V139-R142 PolarHBondContact O-N 3.49Å; V139-H143 PolarHBondContact O-N 3.14Å
140	Q	91.7	Very high	89.7	Confident	141 Å²	141	85.9 Å²	85.9	66%	0.659	39%	0.39	S	S	*	.	H	α-helix	trans	-62.5	-42.1	178	-173.8	174.4	-4.1	0	0	112.1	R136 D137 R142 H143 R144	R136-Q140 WeakPolarHBondContact O-CB 3.39Å; R136-Q140 PolarHBondContact O-N 3.43Å; D137-Q140 PolarHBondContact O-N 3.37Å; Q140-R142 PolarHBondContact O-N 3.18Å; Q140-H143 PolarHBondContact O-N 2.67Å; Q140-R144 PolarHBondContact O-N 3.46Å
141	K	92.4	Very high	88.6	Confident	113 Å²	113	89.3 Å²	89.3	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-37	174.3	-76.1	173.3	176.3	165.5	0	112.6	D137 V139 R145	D137-K141 WeakPolarHBondContact O-CB 3.44Å; D137-K141 WeakPolarHBondContact O-CG 3.17Å; D137-K141 PolarHBondContact O-N 2.88Å; D137-K141 VanDerWaalsContact OD1-CE 3.23Å; D137-K141 WeakPolarHBondContact OD1-CE 3.48Å; D137-K141 IonicContact OD1-NZ 3.87Å; D137-K141 PolarHBondContact OD1-NZ 3.15Å; D137-K141 WeakPolarHBondContact OD2-CD 3.23Å; D137-K141 WeakPolarHBondContact OD2-CE 3.41Å; D137-K141 IonicContact OD2-NZ 2.7Å; D137-K141 PolarHBondContact OD2-NZ 3.26Å; V139-K141 PolarHBondContact O-N 3.36Å; K141-R145 WeakPolarHBondContact O-CG 3.28Å; K141-R145 PolarHBondContact O-N 2.89Å; K141-R145 VanDerWaalsContact O-N 3.15Å
142	R	89.5	Confident	87.5	Confident	84 Å²	84	91.3 Å²	91.3	32%	0.317	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-47.8	173.4	-74.2	171.7	177.4	-178.2	-5.4	111.3	E77 K138 V139 Q140 R144 R145 N146	E77-R142 IonicContact OE1-CZ 3.24Å; E77-R142 IonicContact OE1-NH1 3.4Å; E77-R142 PolarHBondContact OE1-NH1 3.44Å; E77-R142 IonicContact OE2-NH1 2.88Å; K138-R142 WeakPolarHBondContact O-CG 3.34Å; K138-R142 PolarHBondContact O-N 2.89Å; K138-R142 VanDerWaalsContact O-N 3.09Å; V139-R142 WeakPolarHBondContact O-CB 3.43Å; V139-R142 PolarHBondContact O-N 3.49Å; Q140-R142 PolarHBondContact O-N 3.18Å; R142-R144 VanDerWaalsContact C-N 3.31Å; R142-R144 PolarHBondContact O-N 3.33Å; R142-R145 PolarHBondContact O-N 3.44Å; R142-N146 PolarHBondContact O-N 3.43Å; R142-N146 PolarHBondContact O-OD1 3.5Å
143	H	86.3	Confident	86.2	Confident	109 Å²	109	97.6 Å²	97.6	51%	0.505	44%	0.444	S	S	.	.	H	α-helix	trans	-58.7	-42.5	178	-171	58.4	0	0	0	112.5	V139 Q140 N146 K147	V139-H143 PolarHBondContact O-N 3.14Å; Q140-H143 PolarHBondContact O-N 2.67Å; H143-N146 PolarHBondContact O-N 3.01Å; H143-K147 VanDerWaalsContact NE2-CE 3.27Å; H143-K147 WeakPolarHBondContact NE2-CE 3.39Å; H143-K147 PolarHBondContact NE2-NZ 2.88Å; H143-K147 PolarHBondContact O-N 2.72Å; H143-K147 VanDerWaalsContact O-N 3.13Å
144	R	86.5	Confident	85.1	Confident	170 Å²	170	96.4 Å²	96.4	64%	0.642	44%	0.444	S	S	*	.	H	α-helix	trans	-61	-48.1	176.7	-177.7	177.4	171.2	169.6	0.6	112.2	Q140 R142 N146 K147 E148	Q140-R144 PolarHBondContact O-N 3.46Å; R142-R144 VanDerWaalsContact C-N 3.31Å; R142-R144 PolarHBondContact O-N 3.33Å; R144-N146 VanDerWaalsContact C-N 3.34Å; R144-N146 PolarHBondContact O-N 3.01Å; R144-K147 PolarHBondContact O-N 3.34Å; R144-E148 WeakPolarHBondContact CG-OE1 3.3Å; R144-E148 IonicContact CZ-OE1 3.57Å; R144-E148 IonicContact NE-OE1 2.8Å; R144-E148 PolarHBondContact NE-OE1 2.8Å; R144-E148 IonicContact NH2-OE1 3.43Å; R144-E148 PolarHBondContact NH2-OE1 3.43Å; R144-E148 WeakPolarHBondContact O-CG 3.27Å; R144-E148 PolarHBondContact O-N 2.92Å
145	R	86.9	Confident	83.9	Confident	133 Å²	133	98.7 Å²	98.7	50%	0.502	46%	0.455	S	S	.	.	H	α-helix	trans	-63.5	-38.5	179.1	-71.5	-176.5	-62.5	-156.1	2.1	112.6	K141 R142 E148 H149	K141-R145 WeakPolarHBondContact O-CG 3.28Å; K141-R145 PolarHBondContact O-N 2.89Å; K141-R145 VanDerWaalsContact O-N 3.15Å; R142-R145 PolarHBondContact O-N 3.44Å; R145-E148 PolarHBondContact O-N 3.33Å; R145-H149 WeakPolarHBondContact O-CB 3.36Å; R145-H149 PolarHBondContact O-N 3.13Å
146	N	83.1	Confident	82.6	Confident	92 Å²	92	103.8 Å²	103.8	49%	0.492	48%	0.476	S	S	.	.	H	α-helix	trans	-64.5	-42.3	178	-70.4	3.6	0	0	0	111.3	R142 H143 R144 H149 E150	R142-N146 PolarHBondContact O-N 3.43Å; R142-N146 PolarHBondContact O-OD1 3.5Å; H143-N146 PolarHBondContact O-N 3.01Å; R144-N146 VanDerWaalsContact C-N 3.34Å; R144-N146 PolarHBondContact O-N 3.01Å; N146-H149 PolarHBondContact O-N 3.38Å; N146-E150 WeakPolarHBondContact O-CG 3.34Å; N146-E150 PolarHBondContact O-N 3.32Å
147	K	80.7	Confident	81.4	Confident	106 Å²	106	103.6 Å²	103.6	46%	0.461	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-43.2	174	-75.1	-176.2	169.8	-175.4	0	113.1	H143 R144 H149 E150 Q151	H143-K147 VanDerWaalsContact NE2-CE 3.27Å; H143-K147 WeakPolarHBondContact NE2-CE 3.39Å; H143-K147 PolarHBondContact NE2-NZ 2.88Å; H143-K147 PolarHBondContact O-N 2.72Å; H143-K147 VanDerWaalsContact O-N 3.13Å; R144-K147 PolarHBondContact O-N 3.34Å; K147-H149 VanDerWaalsContact C-N 3.32Å; K147-E150 PolarHBondContact O-N 3.45Å; K147-Q151 WeakPolarHBondContact O-CB 3.39Å; K147-Q151 VanDerWaalsContact O-CG 3.26Å; K147-Q151 WeakPolarHBondContact O-CG 3.11Å; K147-Q151 PolarHBondContact O-N 3.02Å
148	E	80.6	Confident	80.4	Confident	85 Å²	85	105 Å²	105	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-64	-39	177.1	-71.9	168.7	179.2	0	0	111	R144 R145 S152	R144-E148 WeakPolarHBondContact CG-OE1 3.3Å; R144-E148 IonicContact CZ-OE1 3.57Å; R144-E148 IonicContact NE-OE1 2.8Å; R144-E148 PolarHBondContact NE-OE1 2.8Å; R144-E148 IonicContact NH2-OE1 3.43Å; R144-E148 PolarHBondContact NH2-OE1 3.43Å; R144-E148 WeakPolarHBondContact O-CG 3.27Å; R144-E148 PolarHBondContact O-N 2.92Å; R145-E148 PolarHBondContact O-N 3.33Å; E148-S152 WeakPolarHBondContact O-CB 3.35Å; E148-S152 PolarHBondContact O-N 2.94Å
149	H	75.9	Confident	79.5	Confident	126 Å²	126	103.6 Å²	103.6	58%	0.583	49%	0.487	S	S	*	.	H	α-helix	trans	-65.8	-47.2	174	-77.1	-173.1	0	0	0	112.6	R145 N146 K147 Q151 S152 F153	R145-H149 WeakPolarHBondContact O-CB 3.36Å; R145-H149 PolarHBondContact O-N 3.13Å; N146-H149 PolarHBondContact O-N 3.38Å; K147-H149 VanDerWaalsContact C-N 3.32Å; H149-Q151 VanDerWaalsContact C-N 3.34Å; H149-Q151 PolarHBondContact O-N 2.83Å; H149-S152 PolarHBondContact O-N 3.49Å; H149-S152 PolarHBondContact O-OG 3.47Å; H149-F153 PolarHBondContact O-N 3.16Å
150	E	74.8	Confident	78.4	Confident	129 Å²	129	106.6 Å²	106.6	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-58.1	-45.9	176	-75.2	169.2	-173.4	0	0	111.2	N146 K147 S152 F153 V154	N146-E150 WeakPolarHBondContact O-CG 3.34Å; N146-E150 PolarHBondContact O-N 3.32Å; K147-E150 PolarHBondContact O-N 3.45Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 2.9Å; E150-F153 PolarHBondContact O-N 3.05Å; E150-V154 WeakPolarHBondContact O-CG2 3.39Å; E150-V154 PolarHBondContact O-N 3.01Å
151	Q	74.8	Confident	77.3	Confident	124 Å²	124	103.1 Å²	103.1	58%	0.579	49%	0.493	S	S	*	.	H	α-helix	trans	-61.3	-41.9	175.3	-73	175.3	10.5	0	0	112.1	K147 H149 F153 V154 I155	K147-Q151 WeakPolarHBondContact O-CB 3.39Å; K147-Q151 VanDerWaalsContact O-CG 3.26Å; K147-Q151 WeakPolarHBondContact O-CG 3.11Å; K147-Q151 PolarHBondContact O-N 3.02Å; H149-Q151 VanDerWaalsContact C-N 3.34Å; H149-Q151 PolarHBondContact O-N 2.83Å; Q151-F153 VanDerWaalsContact C-N 3.31Å; Q151-F153 PolarHBondContact O-N 3.38Å; Q151-V154 PolarHBondContact O-N 3.43Å; Q151-I155 VanDerWaalsContact O-CG1 3.26Å; Q151-I155 WeakPolarHBondContact O-CG1 3.39Å; Q151-I155 PolarHBondContact O-N 3.31Å
152	S	72.3	Confident	75.7	Confident	50 Å²	50	103.4 Å²	103.4	35%	0.35	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-33.1	177.5	77.5	0	0	0	0	113.1	E148 H149 E150 K156	E148-S152 WeakPolarHBondContact O-CB 3.35Å; E148-S152 PolarHBondContact O-N 2.94Å; H149-S152 PolarHBondContact O-N 3.49Å; H149-S152 PolarHBondContact O-OG 3.47Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 2.9Å; S152-K156 VanDerWaalsContact O-CG 3.3Å; S152-K156 WeakPolarHBondContact O-CG 3.49Å; S152-K156 PolarHBondContact O-N 3.23Å
153	F	70.5	Confident	74.4	Confident	134 Å²	134	105.3 Å²	105.3	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-70.4	-46.1	177.1	-162.7	-90	0	0	0	110.5	H149 E150 Q151 I155 K156 D157	H149-F153 PolarHBondContact O-N 3.16Å; E150-F153 PolarHBondContact O-N 3.05Å; Q151-F153 VanDerWaalsContact C-N 3.31Å; Q151-F153 PolarHBondContact O-N 3.38Å; F153-I155 VanDerWaalsContact C-N 3.32Å; F153-I155 PolarHBondContact O-N 3.42Å; F153-K156 PolarHBondContact O-N 2.93Å; F153-K156 VanDerWaalsContact O-N 3.16Å; F153-D157 VanDerWaalsContact CD1-OD2 3.28Å; F153-D157 WeakPolarHBondContact CD1-OD2 3.26Å; F153-D157 WeakPolarHBondContact CE1-OD2 3.34Å; F153-D157 PolarHBondContact O-N 3.45Å
154	V	72.4	Confident	73	Confident	85 Å²	85	106.3 Å²	106.3	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-58.2	-43.2	174.4	173.7	0	0	0	0	111.4	E150 Q151 D157 I158	E150-V154 WeakPolarHBondContact O-CG2 3.39Å; E150-V154 PolarHBondContact O-N 3.01Å; Q151-V154 PolarHBondContact O-N 3.43Å; V154-D157 PolarHBondContact O-N 2.95Å; V154-I158 HydrophobicContact CG1-CD1 3.98Å; V154-I158 WeakPolarHBondContact O-CD1 3.26Å; V154-I158 VanDerWaalsContact O-CG1 3.26Å; V154-I158 WeakPolarHBondContact O-CG1 3.42Å; V154-I158 PolarHBondContact O-N 3.42Å; V154-I158 VanDerWaalsContact O-N 3.14Å
155	I	70.2	Confident	71.7	Confident	107 Å²	107	106.3 Å²	106.3	55%	0.549	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-44.9	176.9	-68	165.4	0	0	0	110.9	Q151 F153 I158 T159	Q151-I155 VanDerWaalsContact O-CG1 3.26Å; Q151-I155 WeakPolarHBondContact O-CG1 3.39Å; Q151-I155 PolarHBondContact O-N 3.31Å; F153-I155 VanDerWaalsContact C-N 3.32Å; F153-I155 PolarHBondContact O-N 3.42Å; I155-I158 PolarHBondContact O-N 3.06Å; I155-T159 PolarHBondContact O-N 3.37Å; I155-T159 PolarHBondContact O-OG1 3.28Å
156	K	70.3	Confident	70.2	Confident	132 Å²	132	106.6 Å²	106.6	57%	0.574	53%	0.533	S	S	*	.	H	α-helix	trans	-63.7	-39.9	178.3	-75.9	176	-179.3	-177.8	0	113	S152 F153 I158 T159 N160	S152-K156 VanDerWaalsContact O-CG 3.3Å; S152-K156 WeakPolarHBondContact O-CG 3.49Å; S152-K156 PolarHBondContact O-N 3.23Å; F153-K156 PolarHBondContact O-N 2.93Å; F153-K156 VanDerWaalsContact O-N 3.16Å; K156-I158 VanDerWaalsContact C-N 3.31Å; K156-I158 PolarHBondContact O-N 3.44Å; K156-T159 PolarHBondContact O-N 3.17Å; K156-N160 WeakPolarHBondContact O-CB 3.26Å; K156-N160 VanDerWaalsContact O-CG 3.29Å; K156-N160 PolarHBondContact O-N 2.98Å
157	D	69.2	Low	68.6	Low	73 Å²	73	110 Å²	110	39%	0.39	54%	0.544	S	S	.	.	H	α-helix	trans	-63.7	-39.3	176.5	-76.7	-19.7	0	0	0	111.5	F153 V154 S161	F153-D157 VanDerWaalsContact CD1-OD2 3.28Å; F153-D157 WeakPolarHBondContact CD1-OD2 3.26Å; F153-D157 WeakPolarHBondContact CE1-OD2 3.34Å; F153-D157 PolarHBondContact O-N 3.45Å; V154-D157 PolarHBondContact O-N 2.95Å; D157-S161 VanDerWaalsContact O-CB 3.28Å; D157-S161 WeakPolarHBondContact O-CB 3.27Å; D157-S161 PolarHBondContact O-N 3.24Å; D157-S161 PolarHBondContact O-OG 3Å
158	I	73.5	Confident	67.4	Low	90 Å²	90	114.4 Å²	114.4	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-45.6	174.7	-65.6	164.5	0	0	0	110.5	V154 I155 K156 S161 Q162	V154-I158 HydrophobicContact CG1-CD1 3.98Å; V154-I158 WeakPolarHBondContact O-CD1 3.26Å; V154-I158 VanDerWaalsContact O-CG1 3.26Å; V154-I158 WeakPolarHBondContact O-CG1 3.42Å; V154-I158 PolarHBondContact O-N 3.42Å; V154-I158 VanDerWaalsContact O-N 3.14Å; I155-I158 PolarHBondContact O-N 3.06Å; K156-I158 VanDerWaalsContact C-N 3.31Å; K156-I158 PolarHBondContact O-N 3.44Å; I158-S161 PolarHBondContact O-N 2.97Å; I158-Q162 WeakPolarHBondContact O-CG 3.42Å; I158-Q162 PolarHBondContact O-N 3.39Å
159	T	74.5	Confident	66.7	Low	60 Å²	60	115.9 Å²	115.9	37%	0.368	59%	0.593	S	S	.	*	H	α-helix	trans	-65.3	-45	178.9	-52.4	0	0	0	0	112.2	I155 K156 S161 Q162 E163	I155-T159 PolarHBondContact O-N 3.37Å; I155-T159 PolarHBondContact O-OG1 3.28Å; K156-T159 PolarHBondContact O-N 3.17Å; T159-S161 VanDerWaalsContact C-N 3.28Å; T159-S161 PolarHBondContact O-N 3.1Å; T159-Q162 WeakPolarHBondContact O-CB 3.45Å; T159-Q162 PolarHBondContact O-N 3.36Å; T159-Q162 VanDerWaalsContact O-N 3.1Å; T159-E163 PolarHBondContact O-N 2.95Å
160	N	69.6	Low	66.2	Low	96 Å²	96	115.4 Å²	115.4	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-63.3	-35.8	175.9	-74.5	-13.5	0	0	0	112	K156 Q162 L164	K156-N160 WeakPolarHBondContact O-CB 3.26Å; K156-N160 VanDerWaalsContact O-CG 3.29Å; K156-N160 PolarHBondContact O-N 2.98Å; N160-Q162 VanDerWaalsContact C-N 3.32Å; N160-L164 PolarHBondContact O-N 2.98Å
161	S	69.3	Low	65.7	Low	67 Å²	67	114.6 Å²	114.6	47%	0.469	59%	0.593	S	S	.	*	H	α-helix	trans	-66.8	-36	174.4	-59.8	0	0	0	0	111.4	D157 I158 T159 F165	D157-S161 VanDerWaalsContact O-CB 3.28Å; D157-S161 WeakPolarHBondContact O-CB 3.27Å; D157-S161 PolarHBondContact O-N 3.24Å; D157-S161 PolarHBondContact O-OG 3Å; I158-S161 PolarHBondContact O-N 2.97Å; T159-S161 VanDerWaalsContact C-N 3.28Å; T159-S161 PolarHBondContact O-N 3.1Å; S161-F165 WeakPolarHBondContact O-CD2 2.98Å; S161-F165 VanDerWaalsContact O-CE2 3.27Å; S161-F165 WeakPolarHBondContact O-CE2 3.28Å
162	Q	59.9	Low	65.2	Low	120 Å²	120	114.1 Å²	114.1	56%	0.561	59%	0.594	S	S	*	*	H	α-helix	trans	-68.9	-42.8	175.7	-75.3	174.7	-0.3	0	0	112.2	I158 T159 N160 L164 F165	I158-Q162 WeakPolarHBondContact O-CG 3.42Å; I158-Q162 PolarHBondContact O-N 3.39Å; T159-Q162 WeakPolarHBondContact O-CB 3.45Å; T159-Q162 PolarHBondContact O-N 3.36Å; T159-Q162 VanDerWaalsContact O-N 3.1Å; N160-Q162 VanDerWaalsContact C-N 3.32Å; Q162-L164 PolarHBondContact O-N 3.3Å; Q162-F165 PolarHBondContact O-N 3.14Å
163	E	60.3	Low	64.8	Low	124 Å²	124	118.1 Å²	118.1	58%	0.579	61%	0.609	S	S	*	*	H	α-helix	trans	-64.1	-23.7	176.9	-70.5	-171.6	167.8	0	0	113.3	T159 F165 D166	T159-E163 PolarHBondContact O-N 2.95Å; E163-F165 VanDerWaalsContact C-N 3.26Å; E163-F165 PolarHBondContact O-N 2.7Å; E163-D166 PolarHBondContact O-N 3.04Å
164	L	58.5	Low	64.4	Low	130 Å²	130	117 Å²	117	68%	0.681	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-22.6	174.6	-150.7	85.6	0	0	0	113	N160 Q162	N160-L164 PolarHBondContact O-N 2.98Å; Q162-L164 PolarHBondContact O-N 3.3Å
165	F	59.1	Low	63.8	Low	169 Å²	169	119.3 Å²	119.3	74%	0.741	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-9.9	177.3	-66.3	-73.8	0	0	0	113.4	S161 Q162 E163	S161-F165 WeakPolarHBondContact O-CD2 2.98Å; S161-F165 VanDerWaalsContact O-CE2 3.27Å; S161-F165 WeakPolarHBondContact O-CE2 3.28Å; Q162-F165 PolarHBondContact O-N 3.14Å; E163-F165 VanDerWaalsContact C-N 3.26Å; E163-F165 PolarHBondContact O-N 2.7Å
166	D	54.7	Low	63.3	Low	139 Å²	139	120.2 Å²	120.2	74%	0.743	62%	0.622	S	S	*	*			trans	-100.1	28.6	179.3	-77.9	-22.3	0	0	0	112.7	E163	E163-D166 PolarHBondContact O-N 3.04Å
167	F	50.2	Low	62.7	Low	165 Å²	165	119.3 Å²	119.3	72%	0.724	63%	0.626	S	S	*	*			trans	-87.1	126.4	160.3	-77.4	-83.7	0	0	0	109.4
168	P	54.2	Low	62.2	Low	198 Å²	198	123.5 Å²	123.5	100%	1.286	65%	0.648	S	S	*	*			trans	-71.3	0	-159.4	29.4	-36.9	0	0	0	115

Retrieved 168 of 168 residues in 110.9 ms (Link to these results)

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