A0A077Z8A9_TRITR Loading...

Protein cbg

AlphaFold DB , UniProt , Accession A0A077Z8A9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 aa.

						>A0A077Z8A9_TRITR|A0A077Z8A9
MVNSVFVFDSDQDDCDADTVRCGDEEQFCLAAWVELAPGHHWVQKGCISATAEGNGLGCTLEPLRLKQSSPLLADITNKDDASMVVCVCNNGDFCNAGSVRRTYENLALVIDNSSARFSMSVYTTLFWLLILTALSRWPLGM
					

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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	28.3	Very low	47.3	Very low	240 Å²	240	84.9 Å²	84.9	100%	1.182	45%	0.45	S	S	*	.				0	108.4	0	-79.5	168.6	173.8	0	0	106.6
2	V	32.4	Very low	48.3	Very low	122 Å²	122	89.4 Å²	89.4	74%	0.739	47%	0.466	S	S	*	.			trans	-75.2	124.5	175.7	180	0	0	0	0	105.7	S4	V2-S4 PolarHBondContact O-N 3.08Å; V2-S4 VanDerWaalsContact O-N 3.08Å
3	N	37.5	Very low	49.4	Very low	80 Å²	80	86.8 Å²	86.8	43%	0.428	45%	0.453	S	S	.	.			trans	-65.1	112.7	173.3	-82	-22.8	0	0	0	107.7	V5 F6	N3-V5 PolarHBondContact O-N 2.59Å; N3-F6 WeakPolarHBondContact O-CZ 3.48Å
4	S	51	Low	50.7	Low	7 Å²	7	83.1 Å²	83.1	5%	0.049	43%	0.434	C	S	.	.			trans	-75.9	4.7	175.9	-13.5	0	0	0	0	112.3	V2 E26 G46 C47	V2-S4 PolarHBondContact O-N 3.08Å; V2-S4 VanDerWaalsContact O-N 3.08Å; S4-E26 WeakPolarHBondContact CB-OE2 3.33Å; S4-E26 PolarHBondContact OG-OE2 2.92Å; S4-G46 CarbonylContact O-C 3.35Å; S4-G46 WeakPolarHBondContact O-CA 3.19Å; S4-C47 PolarHBondContact O-N 3.2Å
5	V	49.8	Very low	51.9	Low	26 Å²	26	78.2 Å²	78.2	16%	0.158	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.5	-171.8	-169.4	0	0	0	0	109.3	N3 L30 Q44 K45 C47	N3-V5 PolarHBondContact O-N 2.59Å; V5-L30 HydrophobicContact CG1-CD2 4.27Å; V5-Q44 HydrophobicContact CG1-CG 3.34Å; V5-K45 CarbonylContact C-O 3.59Å; V5-K45 WeakPolarHBondContact CA-O 3.32Å; V5-C47 WeakPolarHBondContact CG2-O 3.36Å
6	F	50.6	Low	52.8	Low	68 Å²	68	83.8 Å²	83.8	30%	0.298	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.8	-175.8	-60	-89.4	0	0	0	110.4	N3 F8 V20 Q44 K45	N3-F6 WeakPolarHBondContact O-CZ 3.48Å; F6-F8 HydrophobicContact CB-CD2 4.25Å; F6-F8 HydrophobicContact CB-CE2 3.34Å; F6-F8 HydrophobicContact CB-CZ 3.72Å; F6-F8 HydrophobicContact CG-CE2 4.4Å; F6-F8 HydrophobicContact CG-CZ 4.43Å; F6-V20 HydrophobicContact CE2-CB 4.15Å; F6-V20 HydrophobicContact CE2-CG1 3.26Å; F6-V20 HydrophobicContact CE2-CG2 3.86Å; F6-V20 HydrophobicContact CZ-CG1 3.43Å; F6-V20 VanDerWaalsContact CZ-CG1 3.43Å; F6-Q44 WeakPolarHBondContact O-CA 3.31Å; F6-Q44 WeakPolarHBondContact O-CG 3.29Å; F6-K45 PolarHBondContact N-O 3.08Å; F6-K45 PolarHBondContact O-N 3.24Å
7	V	52.4	Low	53.6	Low	49 Å²	49	80.9 Å²	80.9	30%	0.297	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.8	-171.6	170.7	0	0	0	0	108.2	W42 Q44	V7-W42 HydrophobicContact CB-CZ2 4.2Å; V7-W42 HydrophobicContact CG1-CZ2 3.54Å; V7-W42 HydrophobicContact CG2-CH2 4.49Å; V7-W42 HydrophobicContact CG2-CZ2 3.68Å; V7-Q44 HydrophobicContact CG2-CB 4.26Å; V7-Q44 HydrophobicContact CG2-CG 3.85Å; V7-Q44 VanDerWaalsContact CG2-NE2 3.33Å
8	F	54.4	Low	54.6	Low	65 Å²	65	84.7 Å²	84.7	29%	0.285	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.3	-178	-57.1	-89.2	0	0	0	110.8	F6 C15 A17 V43	F6-F8 HydrophobicContact CB-CD2 4.25Å; F6-F8 HydrophobicContact CB-CE2 3.34Å; F6-F8 HydrophobicContact CB-CZ 3.72Å; F6-F8 HydrophobicContact CG-CE2 4.4Å; F6-F8 HydrophobicContact CG-CZ 4.43Å; F8-C15 HydrophobicContact CB-CB 3.66Å; F8-C15 HydrophobicContact CD1-CB 4.39Å; F8-C15 HydrophobicContact CD2-CB 3.46Å; F8-C15 VanDerWaalsContact CD2-CB 3.46Å; F8-C15 WeakPolarHBondContact CD2-SG 3.48Å; F8-C15 HydrophobicContact CE2-CB 4.15Å; F8-C15 HydrophobicContact CG-CB 3.59Å; F8-A17 HydrophobicContact CE2-CB 3.52Å; F8-A17 HydrophobicContact CZ-CB 3.65Å; F8-V43 PolarHBondContact N-O 3.48Å; F8-V43 PolarHBondContact O-N 3.27Å
9	D	53.3	Low	55.7	Low	126 Å²	126	86.1 Å²	86.1	67%	0.674	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.9	159.3	-167	7.1	0	0	0	106.7
10	S	53.3	Low	56.8	Low	17 Å²	17	84.3 Å²	84.3	12%	0.119	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	131.1	-173.5	-169.8	0	0	0	0	111.2	Q12 D14 H41	S10-Q12 WeakPolarHBondContact CB-O 3.05Å; S10-Q12 PolarHBondContact O-N 2.9Å; S10-Q12 PolarHBondContact OG-N 3.08Å; S10-Q12 PolarHBondContact OG-O 3.17Å; S10-Q12 VanDerWaalsContact OG-O 3.09Å; S10-D14 PolarHBondContact OG-O 3.32Å; S10-H41 PolarHBondContact N-O 3.02Å; S10-H41 WeakPolarHBondContact O-CB 3.42Å; S10-H41 PolarHBondContact O-N 2.86Å
11	D	57	Low	57.9	Low	134 Å²	134	91.8 Å²	91.8	72%	0.717	48%	0.477	S	S	*	.	S	Bend	trans	-73.4	-0.6	167	-52.3	-20.8	0	0	0	111.4
12	Q	59.8	Low	60.3	Low	139 Å²	139	83 Å²	83	65%	0.65	44%	0.439	S	S	*	.	S	Bend	trans	-122.5	156.4	-175.3	-58	-168.6	12.8	0	0	111.4	S10 D14	S10-Q12 WeakPolarHBondContact CB-O 3.05Å; S10-Q12 PolarHBondContact O-N 2.9Å; S10-Q12 PolarHBondContact OG-N 3.08Å; S10-Q12 PolarHBondContact OG-O 3.17Å; S10-Q12 VanDerWaalsContact OG-O 3.09Å; Q12-D14 PolarHBondContact O-N 2.83Å
13	D	62.4	Low	62.5	Low	55 Å²	55	79 Å²	79	29%	0.294	42%	0.422	S	S	.	.	S	Bend	trans	-68.3	9.8	177.1	-59.6	-43.4	0	0	0	114	S99 V100 R101	D13-S99 VanDerWaalsContact CB-OG 3.29Å; D13-S99 WeakPolarHBondContact CB-OG 3.27Å; D13-S99 WeakPolarHBondContact O-CA 3.05Å; D13-S99 PolarHBondContact O-OG 3.19Å; D13-V100 PolarHBondContact O-N 2.02Å; D13-V100 VanDerWaalsContact O-N 3.17Å; D13-R101 HydrophobicContact CB-CB 3.83Å; D13-R101 VanDerWaalsContact CG-CD 3.45Å; D13-R101 WeakPolarHBondContact OD1-CD 3.13Å; D13-R101 IonicContact OD1-NH1 3.46Å
14	D	67.3	Low	64.4	Low	35 Å²	35	83.1 Å²	83.1	19%	0.187	44%	0.444	C	S	.	.			trans	-150.2	163.5	-175.3	-156.5	-2	0	0	0	111	S10 Q12 K45 G98 S99	S10-D14 PolarHBondContact OG-O 3.32Å; Q12-D14 PolarHBondContact O-N 2.83Å; D14-K45 WeakPolarHBondContact OD1-CE 3.27Å; D14-K45 IonicContact OD1-NZ 2.57Å; D14-K45 PolarHBondContact OD1-NZ 2.88Å; D14-K45 IonicContact OD2-NZ 3.87Å; D14-G98 WeakPolarHBondContact OD2-CA 3.36Å; D14-S99 PolarHBondContact OD2-N 3.13Å; D14-S99 VanDerWaalsContact OD2-N 3.16Å
15	C	69.1	Low	65.7	Low	10 Å²	10	90.4 Å²	90.4	7%	0.068	48%	0.478	C	S	.	.			trans	-134.7	125	169.2	56.5	0	0	0	0	108.5	F8 A17 V43	F8-C15 HydrophobicContact CB-CB 3.66Å; F8-C15 HydrophobicContact CD1-CB 4.39Å; F8-C15 HydrophobicContact CD2-CB 3.46Å; F8-C15 VanDerWaalsContact CD2-CB 3.46Å; F8-C15 WeakPolarHBondContact CD2-SG 3.48Å; F8-C15 HydrophobicContact CE2-CB 4.15Å; F8-C15 HydrophobicContact CG-CB 3.59Å; C15-A17 PolarHBondContact O-N 3.15Å; C15-V43 HydrophobicContact CB-CB 4.25Å; C15-V43 HydrophobicContact CB-CG1 4.43Å; C15-V43 VanDerWaalsContact SG-CG1 3.51Å
16	D	66.2	Low	66.9	Low	167 Å²	167	90.9 Å²	90.9	89%	0.893	48%	0.478	S	S	*	.			trans	-71	101.6	168.7	-90.5	-27.1	0	0	0	108.1
17	A	66.7	Low	68.2	Low	35 Å²	35	93.6 Å²	93.6	29%	0.289	49%	0.492	S	S	.	.			trans	-110	141	177.6	0	0	0	0	0	109.8	F8 C15	F8-A17 HydrophobicContact CE2-CB 3.52Å; F8-A17 HydrophobicContact CZ-CB 3.65Å; C15-A17 PolarHBondContact O-N 3.15Å
18	D	71.7	Confident	69.4	Low	149 Å²	149	92.3 Å²	92.3	80%	0.797	48%	0.482	S	S	*	.			trans	-58.3	143.1	172.5	-76.4	-35.6	0	0	0	110.9	V20	D18-V20 PolarHBondContact O-N 2.76Å
19	T	75.6	Confident	70.6	Confident	111 Å²	111	89.8 Å²	89.8	68%	0.681	47%	0.473	S	S	*	.			trans	-68.6	134	177.2	46	0	0	0	0	110.4	F94	T19-F94 HydrophobicContact CG2-CD1 3.79Å; T19-F94 HydrophobicContact CG2-CE1 3.46Å; T19-F94 VanDerWaalsContact CG2-CE1 3.46Å
20	V	76.5	Confident	71.8	Confident	50 Å²	50	84.2 Å²	84.2	30%	0.303	44%	0.442	S	S	.	.			trans	-120.1	148.6	178.5	-76.1	0	0	0	0	112.2	F6 D18	F6-V20 HydrophobicContact CE2-CB 4.15Å; F6-V20 HydrophobicContact CE2-CG1 3.26Å; F6-V20 HydrophobicContact CE2-CG2 3.86Å; F6-V20 HydrophobicContact CZ-CG1 3.43Å; F6-V20 VanDerWaalsContact CZ-CG1 3.43Å; D18-V20 PolarHBondContact O-N 2.76Å
21	R	79.9	Confident	72.9	Confident	242 Å²	242	83.6 Å²	83.6	91%	0.913	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-80.8	120	165.9	-85.4	-175.7	168.8	-177.9	-3.7	109.4
22	C	79.6	Confident	73.8	Confident	55 Å²	55	77.2 Å²	77.2	37%	0.372	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62.2	150.9	169.7	-51.1	0	0	0	0	110.7	E26 C47	C22-E26 HydrophobicContact CB-CB 4.1Å; C22-E26 WeakPolarHBondContact CB-O 2.8Å; C22-C47 WeakPolarHBondContact CA-SG 3.4Å; C22-C47 HydrophobicContact CB-CB 3.45Å; C22-C47 VanDerWaalsContact CB-CB 3.45Å; C22-C47 WeakPolarHBondContact CB-SG 3.41Å; C22-C47 WeakPolarHBondContact SG-CB 3.19Å; C22-C47 CovalentContact SG-SG 2.02Å; C22-C47 PolarHBondContact SG-SG 3.06Å
23	G	78.6	Confident	74.6	Confident	38 Å²	38	70.6 Å²	70.6	39%	0.392	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-67.7	160.6	167	0	0	0	0	0	111.5	E25 E26	G23-E25 PolarHBondContact O-N 3.28Å; G23-E25 VanDerWaalsContact O-N 3.08Å; G23-E26 PolarHBondContact N-OE2 3.05Å; G23-E26 PolarHBondContact O-N 3.12Å
24	D	78.1	Confident	75.2	Confident	168 Å²	168	68.1 Å²	68.1	90%	0.898	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.4	-177.6	-62	-34.2	0	0	0	113.4
25	E	76.9	Confident	75.3	Confident	160 Å²	160	68.4 Å²	68.4	75%	0.748	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-13.4	177.7	-59.6	-170	-176.7	0	0	113.4	G23 Q27 S49	G23-E25 PolarHBondContact O-N 3.28Å; G23-E25 VanDerWaalsContact O-N 3.08Å; E25-Q27 PolarHBondContact O-N 3.25Å; E25-S49 WeakPolarHBondContact O-CA 3.25Å; E25-S49 WeakPolarHBondContact O-CB 3.38Å
26	E	76	Confident	75.2	Confident	36 Å²	36	71.2 Å²	71.2	17%	0.168	38%	0.375	C	S	.	.			trans	-93.8	81.1	-176.2	-66.9	177.9	153.4	0	0	110.9	S4 C22 G23 C47 I48 K67	S4-E26 WeakPolarHBondContact CB-OE2 3.33Å; S4-E26 PolarHBondContact OG-OE2 2.92Å; C22-E26 HydrophobicContact CB-CB 4.1Å; C22-E26 WeakPolarHBondContact CB-O 2.8Å; G23-E26 PolarHBondContact N-OE2 3.05Å; G23-E26 PolarHBondContact O-N 3.12Å; E26-C47 HydrophobicContact CB-CB 3.68Å; E26-C47 HydrophobicContact CG-CB 4.41Å; E26-I48 CarbonylContact C-O 3.52Å; E26-I48 WeakPolarHBondContact CA-O 3.18Å; E26-K67 IonicContact OE1-NZ 3.72Å
27	Q	76.9	Confident	75.1	Confident	125 Å²	125	65.2 Å²	65.2	58%	0.584	35%	0.348	S	S	*	.			trans	-82.9	-6.5	-171.1	-60.8	-169.5	-13.6	0	0	115.6	E25 I48 N91	E25-Q27 PolarHBondContact O-N 3.25Å; Q27-I48 PolarHBondContact N-O 2.57Å; Q27-N91 PolarHBondContact O-OD1 3.49Å
28	F	77.6	Confident	75.3	Confident	22 Å²	22	69.5 Å²	69.5	10%	0.096	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.6	-174.3	-58.9	-86.1	0	0	0	111.3	C47 I48 T51 N90 N91	F28-C47 CarbonylContact O-C 3.5Å; F28-C47 VanDerWaalsContact O-CA 3.28Å; F28-C47 WeakPolarHBondContact O-CA 3.06Å; F28-I48 HydrophobicContact CB-CG2 3.89Å; F28-I48 PolarHBondContact N-O 2.99Å; F28-I48 VanDerWaalsContact N-O 3.08Å; F28-I48 PolarHBondContact O-N 2.73Å; F28-T51 HydrophobicContact CD1-CG2 4.29Å; F28-T51 HydrophobicContact CD2-CG2 4.27Å; F28-T51 HydrophobicContact CE1-CG2 3.54Å; F28-T51 HydrophobicContact CE2-CG2 3.53Å; F28-T51 HydrophobicContact CZ-CG2 3.13Å; F28-N90 CarbonylContact C-O 3.59Å; F28-N90 VanDerWaalsContact CA-O 3.29Å; F28-N90 WeakPolarHBondContact CA-O 3.22Å; F28-N90 WeakPolarHBondContact CB-O 2.99Å; F28-N91 HydrophobicContact CD1-CB 4.09Å; F28-N91 HydrophobicContact CE1-CB 4.16Å
29	C	79.7	Confident	75.1	Confident	12 Å²	12	64.4 Å²	64.4	8%	0.081	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.1	164.4	-29.1	0	0	0	0	109.3	G46 C89 N90 G92 C95 N96	C29-G46 CarbonylContact C-O 3.55Å; C29-G46 WeakPolarHBondContact CA-O 3.44Å; C29-C89 VanDerWaalsContact O-CA 3.31Å; C29-C89 WeakPolarHBondContact O-CA 3.37Å; C29-N90 PolarHBondContact N-O 3.39Å; C29-N90 PolarHBondContact O-N 3.27Å; C29-N90 VanDerWaalsContact O-N 3.12Å; C29-G92 PolarHBondContact SG-O 2.98Å; C29-C95 HydrophobicContact CB-CB 4.24Å; C29-C95 WeakPolarHBondContact CB-SG 3.28Å; C29-C95 VanDerWaalsContact SG-CA 3.56Å; C29-C95 WeakPolarHBondContact SG-CB 3.48Å; C29-C95 PolarHBondContact SG-N 3.3Å; C29-C95 CovalentContact SG-SG 2.04Å; C29-C95 PolarHBondContact SG-SG 3.13Å; C29-N96 HydrophobicContact CB-CB 3.61Å; C29-N96 VanDerWaalsContact CB-CG 3.5Å
30	L	78.4	Confident	74.7	Confident	8 Å²	8	64 Å²	64	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134	171.3	174.5	68.1	0	0	0	109.2	V5 K45 G46 I48 L64 C87 N96	V5-L30 HydrophobicContact CG1-CD2 4.27Å; L30-K45 CarbonylContact O-C 3.53Å; L30-K45 WeakPolarHBondContact O-CA 3.2Å; L30-G46 PolarHBondContact N-O 2.84Å; L30-G46 PolarHBondContact O-N 2.04Å; L30-I48 HydrophobicContact CB-CB 4.39Å; L30-I48 HydrophobicContact CB-CG2 4.14Å; L30-L64 HydrophobicContact CD2-CD2 4.07Å; L30-C87 WeakPolarHBondContact CD1-SG 3.34Å; L30-N96 PolarHBondContact O-ND2 3.37Å
31	A	77.4	Confident	74.4	Confident	4 Å²	4	62.3 Å²	62.3	3%	0.033	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	117.8	165.2	0	0	0	0	0	108.4	Q44 K45 V88 N96 V100	A31-Q44 CarbonylContact C-O 3.44Å; A31-Q44 WeakPolarHBondContact CA-O 2.91Å; A31-K45 HydrophobicContact CB-CG 4.49Å; A31-V88 HydrophobicContact CB-CB 4.49Å; A31-V88 PolarHBondContact N-O 3.11Å; A31-V88 PolarHBondContact O-N 3.23Å; A31-N96 HydrophobicContact CB-CB 3.75Å; A31-V100 HydrophobicContact CB-CB 4.46Å; A31-V100 HydrophobicContact CB-CG1 4.09Å; A31-V100 HydrophobicContact CB-CG2 3.7Å
32	A	75	Confident	74.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.3	177.2	0	0	0	0	0	110	W42 V43 Q44 L64 V86	A32-W42 HydrophobicContact CB-CZ3 4.14Å; A32-V43 CarbonylContact O-C 3.52Å; A32-V43 WeakPolarHBondContact O-CA 3.39Å; A32-Q44 HydrophobicContact CB-CB 4.34Å; A32-Q44 PolarHBondContact N-O 2.84Å; A32-Q44 PolarHBondContact O-N 2.75Å; A32-L64 HydrophobicContact CB-CD1 4.08Å; A32-L64 HydrophobicContact CB-CD2 3.92Å; A32-V86 CarbonylContact C-O 3.53Å; A32-V86 VanDerWaalsContact CA-O 3.24Å; A32-V86 WeakPolarHBondContact CA-O 3.41Å
33	W	77.9	Confident	73.8	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.3	177.9	179.2	104.5	0	0	0	108.9	E35 H41 W42 M84 V86 V100	W33-E35 HydrophobicContact CH2-CB 3.59Å; W33-E35 HydrophobicContact CH2-CG 4.41Å; W33-E35 HydrophobicContact CZ2-CB 4.33Å; W33-E35 HydrophobicContact CZ3-CB 3.78Å; W33-H41 AromaticContact CE2-CG 3.9Å; W33-H41 AromaticContact CE2-ND1 3.6Å; W33-H41 AromaticContact CH2-ND1 3.59Å; W33-H41 HydrophobicContact CZ2-CB 4.15Å; W33-H41 AromaticContact CZ2-CE1 3.54Å; W33-H41 AromaticContact CZ2-CG 3.65Å; W33-H41 AromaticContact CZ2-ND1 2.93Å; W33-H41 WeakPolarHBondContact CZ2-ND1 3.32Å; W33-H41 AromaticContact NE1-CG 3.83Å; W33-W42 CarbonylContact C-O 3.54Å; W33-W42 VanDerWaalsContact CA-O 3.23Å; W33-W42 WeakPolarHBondContact CA-O 3.33Å; W33-M84 HydrophobicContact CE3-CG 4.35Å; W33-M84 HydrophobicContact CH2-SD 4.26Å; W33-M84 HydrophobicContact CZ3-CB 3.84Å; W33-M84 HydrophobicContact CZ3-CG 3.68Å; W33-M84 HydrophobicContact CZ3-SD 3.67Å; W33-V86 HydrophobicContact CB-CB 4.25Å; W33-V86 HydrophobicContact CE3-CB 4.46Å; W33-V86 HydrophobicContact CE3-CG2 4.26Å; W33-V86 PolarHBondContact N-O 3.45Å; W33-V86 PolarHBondContact O-N 2.76Å; W33-V100 HydrophobicContact CB-CB 3.87Å; W33-V100 HydrophobicContact CB-CG1 3.59Å
34	V	73.2	Confident	73.7	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.6	-179.9	-179.1	0	0	0	0	109.1	L36 H41 W42 A82 M84 V85	V34-L36 HydrophobicContact CG1-CD2 3.89Å; V34-L36 HydrophobicContact CG1-CG 4.41Å; V34-H41 CarbonylContact O-C 3.49Å; V34-H41 WeakPolarHBondContact O-CA 3.48Å; V34-W42 HydrophobicContact CB-CB 4.31Å; V34-W42 HydrophobicContact CB-CE3 4.28Å; V34-W42 HydrophobicContact CG2-CE3 3.98Å; V34-W42 HydrophobicContact CG2-CZ3 4.34Å; V34-W42 PolarHBondContact N-O 3.26Å; V34-W42 PolarHBondContact O-N 2.92Å; V34-A82 HydrophobicContact CG1-CB 3.97Å; V34-M84 VanDerWaalsContact CA-O 3.31Å; V34-M84 WeakPolarHBondContact CA-O 3.39Å; V34-V85 HydrophobicContact CG1-CG2 4.21Å; V34-V85 HydrophobicContact CG2-CG1 4.2Å; V34-V85 HydrophobicContact CG2-CG2 4.17Å
35	E	69.9	Low	73.7	Confident	40 Å²	40	40.6 Å²	40.6	19%	0.187	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.9	168.1	-175.9	175.6	-141	0	0	109.4	W33 A37 H41 A82 S83 M84	W33-E35 HydrophobicContact CH2-CB 3.59Å; W33-E35 HydrophobicContact CH2-CG 4.41Å; W33-E35 HydrophobicContact CZ2-CB 4.33Å; W33-E35 HydrophobicContact CZ3-CB 3.78Å; E35-A37 VanDerWaalsContact CG-O 3.31Å; E35-A37 WeakPolarHBondContact CG-O 3.48Å; E35-H41 IonicContact OE1-CE1 3.06Å; E35-H41 PolarHBondContact OE1-CE1 2.91Å; E35-A82 WeakPolarHBondContact O-CA 3.5Å; E35-S83 WeakPolarHBondContact CB-OG 3.31Å; E35-S83 WeakPolarHBondContact CG-OG 3.41Å; E35-S83 PolarHBondContact O-N 3.19Å; E35-S83 VanDerWaalsContact O-N 3.13Å; E35-S83 PolarHBondContact O-OG 3.29Å; E35-S83 PolarHBondContact OE2-OG 3.32Å; E35-M84 PolarHBondContact N-O 3.06Å
36	L	67.5	Low	73.9	Confident	70 Å²	70	33.1 Å²	33.1	37%	0.366	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-26.9	-179.1	-62.3	173	0	0	0	111.9	V34 H40 W42 I76	V34-L36 HydrophobicContact CG1-CD2 3.89Å; V34-L36 HydrophobicContact CG1-CG 4.41Å; L36-H40 PolarHBondContact N-O 2.83Å; L36-W42 HydrophobicContact CD1-CB 4.3Å; L36-I76 HydrophobicContact CD2-CD1 3.95Å; L36-I76 HydrophobicContact CD2-CG1 4.29Å
37	A	64	Low	74	Confident	41 Å²	41	31.7 Å²	31.7	34%	0.339	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	161.6	171.1	0	0	0	0	0	108.1	E35 G39 H40	E35-A37 VanDerWaalsContact CG-O 3.31Å; E35-A37 WeakPolarHBondContact CG-O 3.48Å; A37-G39 PolarHBondContact O-N 2.94Å; A37-H40 HydrophobicContact CB-CB 4.26Å; A37-H40 PolarHBondContact O-N 2.88Å
38	P	71.1	Confident	73.9	Confident	125 Å²	125	26.9 Å²	26.9	81%	0.812	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	116.7	177.4	-25.8	34.7	0	0	0	111.6	H40	P38-H40 VanDerWaalsContact C-N 3.34Å
39	G	67.3	Low	73.6	Confident	42 Å²	42	29.1 Å²	29.1	43%	0.433	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-0.9	-178.9	0	0	0	0	0	115.9	A37 H41	A37-G39 PolarHBondContact O-N 2.94Å; G39-H41 WeakPolarHBondContact CA-NE2 3.22Å
40	H	67.1	Low	72.7	Confident	103 Å²	103	31.2 Å²	31.2	48%	0.477	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.7	173.7	-78.5	-75.4	0	0	0	110	L36 A37 P38	L36-H40 PolarHBondContact N-O 2.83Å; A37-H40 HydrophobicContact CB-CB 4.26Å; A37-H40 PolarHBondContact O-N 2.88Å; P38-H40 VanDerWaalsContact C-N 3.34Å
41	H	70.7	Confident	71.4	Confident	13 Å²	13	34.2 Å²	34.2	6%	0.06	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.9	-171.9	-45.4	-77.2	0	0	0	110.9	S10 W33 V34 E35 G39	S10-H41 PolarHBondContact N-O 3.02Å; S10-H41 WeakPolarHBondContact O-CB 3.42Å; S10-H41 PolarHBondContact O-N 2.86Å; W33-H41 AromaticContact CE2-CG 3.9Å; W33-H41 AromaticContact CE2-ND1 3.6Å; W33-H41 AromaticContact CH2-ND1 3.59Å; W33-H41 HydrophobicContact CZ2-CB 4.15Å; W33-H41 AromaticContact CZ2-CE1 3.54Å; W33-H41 AromaticContact CZ2-CG 3.65Å; W33-H41 AromaticContact CZ2-ND1 2.93Å; W33-H41 WeakPolarHBondContact CZ2-ND1 3.32Å; W33-H41 AromaticContact NE1-CG 3.83Å; V34-H41 CarbonylContact O-C 3.49Å; V34-H41 WeakPolarHBondContact O-CA 3.48Å; E35-H41 IonicContact OE1-CE1 3.06Å; E35-H41 PolarHBondContact OE1-CE1 2.91Å; G39-H41 WeakPolarHBondContact CA-NE2 3.22Å
42	W	73	Confident	69.8	Low	15 Å²	15	34.7 Å²	34.7	6%	0.057	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.1	174.2	-179	91.4	0	0	0	108.5	V7 A32 W33 V34 L36 Q44 L73	V7-W42 HydrophobicContact CB-CZ2 4.2Å; V7-W42 HydrophobicContact CG1-CZ2 3.54Å; V7-W42 HydrophobicContact CG2-CH2 4.49Å; V7-W42 HydrophobicContact CG2-CZ2 3.68Å; A32-W42 HydrophobicContact CB-CZ3 4.14Å; W33-W42 CarbonylContact C-O 3.54Å; W33-W42 VanDerWaalsContact CA-O 3.23Å; W33-W42 WeakPolarHBondContact CA-O 3.33Å; V34-W42 HydrophobicContact CB-CB 4.31Å; V34-W42 HydrophobicContact CB-CE3 4.28Å; V34-W42 HydrophobicContact CG2-CE3 3.98Å; V34-W42 HydrophobicContact CG2-CZ3 4.34Å; V34-W42 PolarHBondContact N-O 3.26Å; V34-W42 PolarHBondContact O-N 2.92Å; L36-W42 HydrophobicContact CD1-CB 4.3Å; W42-Q44 HydrophobicContact CE3-CB 4.15Å; W42-Q44 HydrophobicContact CH2-CB 3.22Å; W42-Q44 VanDerWaalsContact CH2-CD 3.48Å; W42-Q44 HydrophobicContact CH2-CG 3.91Å; W42-Q44 HydrophobicContact CZ2-CB 3.75Å; W42-Q44 HydrophobicContact CZ2-CG 4.36Å; W42-Q44 HydrophobicContact CZ3-CB 3.4Å; W42-Q44 VanDerWaalsContact CZ3-CB 3.4Å; W42-Q44 HydrophobicContact CZ3-CG 4.48Å; W42-L73 HydrophobicContact CH2-CD1 3.54Å; W42-L73 HydrophobicContact CZ2-CD1 3.88Å; W42-L73 HydrophobicContact CZ3-CD1 4.38Å
43	V	74.5	Confident	68.2	Low	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.1	179.7	-166.5	0	0	0	0	109.1	F8 C15 A32 K45 V100	F8-V43 PolarHBondContact N-O 3.48Å; F8-V43 PolarHBondContact O-N 3.27Å; C15-V43 HydrophobicContact CB-CB 4.25Å; C15-V43 HydrophobicContact CB-CG1 4.43Å; C15-V43 VanDerWaalsContact SG-CG1 3.51Å; A32-V43 CarbonylContact O-C 3.52Å; A32-V43 WeakPolarHBondContact O-CA 3.39Å; V43-K45 HydrophobicContact CG1-CG 4.44Å; V43-V100 HydrophobicContact CG1-CG2 3.74Å
44	Q	75.8	Confident	66.2	Low	17 Å²	17	45.1 Å²	45.1	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.5	173.2	179.9	178.2	46.2	0	0	110.6	V5 F6 V7 A31 A32 W42	V5-Q44 HydrophobicContact CG1-CG 3.34Å; F6-Q44 WeakPolarHBondContact O-CA 3.31Å; F6-Q44 WeakPolarHBondContact O-CG 3.29Å; V7-Q44 HydrophobicContact CG2-CB 4.26Å; V7-Q44 HydrophobicContact CG2-CG 3.85Å; V7-Q44 VanDerWaalsContact CG2-NE2 3.33Å; A31-Q44 CarbonylContact C-O 3.44Å; A31-Q44 WeakPolarHBondContact CA-O 2.91Å; A32-Q44 HydrophobicContact CB-CB 4.34Å; A32-Q44 PolarHBondContact N-O 2.84Å; A32-Q44 PolarHBondContact O-N 2.75Å; W42-Q44 HydrophobicContact CE3-CB 4.15Å; W42-Q44 HydrophobicContact CH2-CB 3.22Å; W42-Q44 VanDerWaalsContact CH2-CD 3.48Å; W42-Q44 HydrophobicContact CH2-CG 3.91Å; W42-Q44 HydrophobicContact CZ2-CB 3.75Å; W42-Q44 HydrophobicContact CZ2-CG 4.36Å; W42-Q44 HydrophobicContact CZ3-CB 3.4Å; W42-Q44 VanDerWaalsContact CZ3-CB 3.4Å; W42-Q44 HydrophobicContact CZ3-CG 4.48Å
45	K	79	Confident	64.5	Low	15 Å²	15	50.5 Å²	50.5	7%	0.065	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.6	177.9	-68.3	-174.7	176.2	-169.1	0	110.5	V5 F6 D14 L30 A31 V43 N96 G98	V5-K45 CarbonylContact C-O 3.59Å; V5-K45 WeakPolarHBondContact CA-O 3.32Å; F6-K45 PolarHBondContact N-O 3.08Å; F6-K45 PolarHBondContact O-N 3.24Å; D14-K45 WeakPolarHBondContact OD1-CE 3.27Å; D14-K45 IonicContact OD1-NZ 2.57Å; D14-K45 PolarHBondContact OD1-NZ 2.88Å; D14-K45 IonicContact OD2-NZ 3.87Å; L30-K45 CarbonylContact O-C 3.53Å; L30-K45 WeakPolarHBondContact O-CA 3.2Å; A31-K45 HydrophobicContact CB-CG 4.49Å; V43-K45 HydrophobicContact CG1-CG 4.44Å; K45-N96 WeakPolarHBondContact CD-O 3.21Å; K45-N96 VanDerWaalsContact CE-O 3.27Å; K45-N96 WeakPolarHBondContact CE-O 3.47Å; K45-N96 PolarHBondContact NZ-O 3.12Å; K45-G98 PolarHBondContact NZ-O 3.08Å
46	G	79.3	Confident	63.4	Low	3 Å²	3	49 Å²	49	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-154.2	174	0	0	0	0	0	115.6	S4 C29 L30 N96	S4-G46 CarbonylContact O-C 3.35Å; S4-G46 WeakPolarHBondContact O-CA 3.19Å; C29-G46 CarbonylContact C-O 3.55Å; C29-G46 WeakPolarHBondContact CA-O 3.44Å; L30-G46 PolarHBondContact N-O 2.84Å; L30-G46 PolarHBondContact O-N 2.04Å; G46-N96 PolarHBondContact N-ND2 3.22Å; G46-N96 PolarHBondContact O-ND2 3.22Å; G46-N96 VanDerWaalsContact O-ND2 3.15Å
47	C	79.4	Confident	62.5	Low	7 Å²	7	48.1 Å²	48.1	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148	174.3	-42.6	0	0	0	0	111.2	S4 V5 C22 E26 F28	S4-C47 PolarHBondContact O-N 3.2Å; V5-C47 WeakPolarHBondContact CG2-O 3.36Å; C22-C47 WeakPolarHBondContact CA-SG 3.4Å; C22-C47 HydrophobicContact CB-CB 3.45Å; C22-C47 VanDerWaalsContact CB-CB 3.45Å; C22-C47 WeakPolarHBondContact CB-SG 3.41Å; C22-C47 WeakPolarHBondContact SG-CB 3.19Å; C22-C47 CovalentContact SG-SG 2.02Å; C22-C47 PolarHBondContact SG-SG 3.06Å; E26-C47 HydrophobicContact CB-CB 3.68Å; E26-C47 HydrophobicContact CG-CB 4.41Å; F28-C47 CarbonylContact O-C 3.5Å; F28-C47 VanDerWaalsContact O-CA 3.28Å; F28-C47 WeakPolarHBondContact O-CA 3.06Å
48	I	75.1	Confident	61.6	Low	23 Å²	23	47.6 Å²	47.6	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.6	178.9	-168	167.8	0	0	0	111.5	E26 Q27 F28 L30 P63	E26-I48 CarbonylContact C-O 3.52Å; E26-I48 WeakPolarHBondContact CA-O 3.18Å; Q27-I48 PolarHBondContact N-O 2.57Å; F28-I48 HydrophobicContact CB-CG2 3.89Å; F28-I48 PolarHBondContact N-O 2.99Å; F28-I48 VanDerWaalsContact N-O 3.08Å; F28-I48 PolarHBondContact O-N 2.73Å; L30-I48 HydrophobicContact CB-CB 4.39Å; L30-I48 HydrophobicContact CB-CG2 4.14Å; I48-P63 HydrophobicContact CD1-CB 3.65Å; I48-P63 HydrophobicContact CD1-CG 4.48Å
49	S	70.6	Confident	60.6	Low	69 Å²	69	42.1 Å²	42.1	48%	0.483	26%	0.261	S	S	.	.	S	Bend	trans	-87.5	-25.1	-173.8	54.2	0	0	0	0	116.1	E25	E25-S49 WeakPolarHBondContact O-CA 3.25Å; E25-S49 WeakPolarHBondContact O-CB 3.38Å
50	A	60.4	Low	59.6	Low	57 Å²	57	43.4 Å²	43.4	47%	0.471	26%	0.26	S	S	.	.	S	Bend	trans	-117.8	132.9	-174.5	0	0	0	0	0	111	A52	A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 2.98Å
51	T	51.1	Low	58.6	Low	71 Å²	71	41.8 Å²	41.8	44%	0.436	26%	0.255	S	S	.	.			trans	-60.8	96.8	158.9	52.3	0	0	0	0	107	F28 E53	F28-T51 HydrophobicContact CD1-CG2 4.29Å; F28-T51 HydrophobicContact CD2-CG2 4.27Å; F28-T51 HydrophobicContact CE1-CG2 3.54Å; F28-T51 HydrophobicContact CE2-CG2 3.53Å; F28-T51 HydrophobicContact CZ-CG2 3.13Å; T51-E53 PolarHBondContact O-N 3.14Å; T51-E53 VanDerWaalsContact O-N 3.08Å
52	A	44.3	Very low	57.1	Low	13 Å²	13	47.9 Å²	47.9	11%	0.107	28%	0.283	C	S	.	.	S	Bend	trans	-63.7	115.7	154.9	0	0	0	0	0	105.6	A50 G54 G58 C59 P63	A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 2.98Å; A52-G54 PolarHBondContact O-N 3.23Å; A52-G58 CarbonylContact C-O 3.58Å; A52-C59 VanDerWaalsContact CB-CA 3.41Å; A52-C59 HydrophobicContact CB-CB 3.87Å; A52-P63 HydrophobicContact CB-CG 3.96Å
53	E	40.9	Very low	55.5	Low	181 Å²	181	48.7 Å²	48.7	85%	0.846	29%	0.29	S	S	*	.	S	Bend	trans	-13.6	101.9	-158.3	-63.6	-178.6	162.9	0	0	116	T51	T51-E53 PolarHBondContact O-N 3.14Å; T51-E53 VanDerWaalsContact O-N 3.08Å
54	G	35.1	Very low	54	Low	40 Å²	40	49.4 Å²	49.4	41%	0.412	29%	0.294	S	S	.	.	S	Bend	trans	98.3	149	165.7	0	0	0	0	0	116	A52	A52-G54 PolarHBondContact O-N 3.23Å
55	N	39.4	Very low	52.2	Low	116 Å²	116	56.3 Å²	56.3	62%	0.62	32%	0.32	S	S	*	.	S	Bend	trans	-69.7	134.5	168.3	-75.5	-27.1	0	0	0	109.5
56	G	45.5	Very low	50.1	Low	9 Å²	9	62.5 Å²	62.5	9%	0.093	35%	0.352	C	S	.	.	S	Bend	trans	108.9	-35	158.4	0	0	0	0	0	115.6	C89 L107	G56-C89 PolarHBondContact N-O 3.29Å; G56-C89 VanDerWaalsContact N-O 3.14Å; G56-L107 VanDerWaalsContact O-CD1 3.22Å; G56-L107 WeakPolarHBondContact O-CD1 3.38Å; G56-L107 WeakPolarHBondContact O-CD2 3.49Å
57	L	48.7	Very low	48.1	Very low	51 Å²	51	66.6 Å²	66.6	27%	0.267	37%	0.37	S	S	.	.	S	Bend	trans	-171.8	110.8	-179.1	-104.3	166.2	0	0	0	107.1	Y104 L107 A108 I111	L57-Y104 HydrophobicContact CD1-CE2 4.48Å; L57-Y104 HydrophobicContact CD2-CD2 3.47Å; L57-Y104 VanDerWaalsContact CD2-CD2 3.47Å; L57-Y104 HydrophobicContact CD2-CE2 3.44Å; L57-Y104 VanDerWaalsContact CD2-CE2 3.44Å; L57-Y104 HydrophobicContact CG-CD2 4.42Å; L57-L107 HydrophobicContact CD1-CB 3.75Å; L57-L107 HydrophobicContact CG-CB 4.23Å; L57-A108 HydrophobicContact CD1-CB 4.49Å; L57-I111 HydrophobicContact CB-CD1 3.92Å; L57-I111 HydrophobicContact CD1-CD1 3.54Å; L57-I111 HydrophobicContact CG-CD1 4.35Å
58	G	45	Very low	46	Very low	30 Å²	30	76 Å²	76	31%	0.309	41%	0.412	S	S	.	.			trans	157.8	2	-173	0	0	0	0	0	116.8	A52 T60	A52-G58 CarbonylContact C-O 3.58Å; G58-T60 PolarHBondContact O-N 3.08Å
59	C	51.4	Low	44.2	Very low	10 Å²	10	78.7 Å²	78.7	7%	0.068	43%	0.433	C	S	.	.			trans	-67.5	107.5	172.1	-0.1	0	0	0	0	110.1	A52 C87 C89	A52-C59 VanDerWaalsContact CB-CA 3.41Å; A52-C59 HydrophobicContact CB-CB 3.87Å; C59-C87 HydrophobicContact CB-CB 4.08Å; C59-C87 WeakPolarHBondContact CB-SG 3.44Å; C59-C87 VanDerWaalsContact O-CB 3.25Å; C59-C87 WeakPolarHBondContact O-CB 3.06Å; C59-C87 PolarHBondContact SG-SG 3.16Å; C59-C89 HydrophobicContact CB-CB 4.38Å; C59-C89 WeakPolarHBondContact CB-SG 3.43Å; C59-C89 WeakPolarHBondContact SG-CB 3.03Å; C59-C89 PolarHBondContact SG-N 3.25Å; C59-C89 CovalentContact SG-SG 2.03Å; C59-C89 PolarHBondContact SG-SG 2.78Å
60	T	45.5	Very low	42.7	Very low	69 Å²	69	76.7 Å²	76.7	42%	0.423	42%	0.42	S	S	.	.			trans	-62.4	155.1	-179.5	56.3	0	0	0	0	109.1	G58 E62 P63	G58-T60 PolarHBondContact O-N 3.08Å; T60-E62 PolarHBondContact O-N 2.93Å; T60-E62 VanDerWaalsContact O-N 3.08Å; T60-P63 WeakPolarHBondContact O-CD 3.23Å; T60-P63 WeakPolarHBondContact O-CG 3.41Å; T60-P63 WeakPolarHBondContact OG1-CD 3.4Å
61	L	46.8	Very low	41.6	Very low	69 Å²	69	78.3 Å²	78.3	36%	0.361	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-14.8	174.6	-86.8	160.1	0	0	0	113	L64 R65 L73 V85	L61-L64 HydrophobicContact CD2-CD1 3.94Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 2.03Å; L61-R65 PolarHBondContact O-N 3.24Å; L61-L73 HydrophobicContact CD2-CD2 4.38Å; L61-V85 HydrophobicContact CD1-CG1 4.06Å; L61-V85 HydrophobicContact CD1-CG2 4.35Å; L61-V85 HydrophobicContact CD2-CG1 3.74Å; L61-V85 HydrophobicContact CG-CG1 3.89Å
62	E	39.2	Very low	41.3	Very low	141 Å²	141	79.5 Å²	79.5	66%	0.659	43%	0.428	S	S	*	.	H	α-helix	trans	-64.6	-48.5	-179.3	-77	174.7	141	0	0	113.4	T60 L64 R65 L66	T60-E62 PolarHBondContact O-N 2.93Å; T60-E62 VanDerWaalsContact O-N 3.08Å; E62-L64 PolarHBondContact O-N 3.24Å; E62-R65 WeakPolarHBondContact O-CA 3.24Å; E62-R65 WeakPolarHBondContact O-CB 3.41Å; E62-R65 PolarHBondContact O-N 3.08Å; E62-L66 PolarHBondContact O-N 3.44Å
63	P	38.1	Very low	41.1	Very low	31 Å²	31	79.8 Å²	79.8	20%	0.201	43%	0.428	C	S	.	.	H	α-helix	trans	-60.9	-27.6	172.2	10.3	-23.2	0	0	0	114.3	I48 A52 T60 R65 L66	I48-P63 HydrophobicContact CD1-CB 3.65Å; I48-P63 HydrophobicContact CD1-CG 4.48Å; A52-P63 HydrophobicContact CB-CG 3.96Å; T60-P63 WeakPolarHBondContact O-CD 3.23Å; T60-P63 WeakPolarHBondContact O-CG 3.41Å; T60-P63 WeakPolarHBondContact OG1-CD 3.4Å; P63-R65 VanDerWaalsContact C-N 3.27Å; P63-R65 PolarHBondContact O-N 2.78Å; P63-L66 HydrophobicContact CB-CD1 4.26Å; P63-L66 WeakPolarHBondContact O-CB 3.37Å; P63-L66 PolarHBondContact O-N 2.83Å
64	L	42.5	Very low	41.1	Very low	15 Å²	15	74.6 Å²	74.6	8%	0.079	42%	0.416	C	S	.	.	H	α-helix	trans	-69	-26.3	173.1	-69.5	163.2	0	0	0	112.2	L30 A32 L61 E62 L66 L73	L30-L64 HydrophobicContact CD2-CD2 4.07Å; A32-L64 HydrophobicContact CB-CD1 4.08Å; A32-L64 HydrophobicContact CB-CD2 3.92Å; L61-L64 HydrophobicContact CD2-CD1 3.94Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 2.03Å; E62-L64 PolarHBondContact O-N 3.24Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-L73 HydrophobicContact CB-CD1 4.25Å
65	R	39.2	Very low	41.3	Very low	163 Å²	163	78.4 Å²	78.4	62%	0.615	43%	0.427	S	S	*	.	H	α-helix	trans	-75.5	-15	172	-69.5	-177.1	164.9	-173.1	-7	113.8	L61 E62 P63 K67	L61-R65 PolarHBondContact O-N 3.24Å; E62-R65 WeakPolarHBondContact O-CA 3.24Å; E62-R65 WeakPolarHBondContact O-CB 3.41Å; E62-R65 PolarHBondContact O-N 3.08Å; P63-R65 VanDerWaalsContact C-N 3.27Å; P63-R65 PolarHBondContact O-N 2.78Å; R65-K67 VanDerWaalsContact C-N 3.3Å; R65-K67 PolarHBondContact O-N 2.92Å
66	L	33.5	Very low	41.8	Very low	144 Å²	144	74.9 Å²	74.9	75%	0.754	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.9	-168.6	-73.7	172.9	0	0	0	115.3	E62 P63 L64	E62-L66 PolarHBondContact O-N 3.44Å; P63-L66 HydrophobicContact CB-CD1 4.26Å; P63-L66 WeakPolarHBondContact O-CB 3.37Å; P63-L66 PolarHBondContact O-N 2.83Å; L64-L66 VanDerWaalsContact C-N 3.32Å
67	K	37.7	Very low	41.7	Very low	90 Å²	90	80.3 Å²	80.3	39%	0.391	44%	0.44	S	S	.	.			trans	-110.6	98.5	173.8	-81.2	-177.1	-179.9	171	0	111.4	E26 R65 S69 S70	E26-K67 IonicContact OE1-NZ 3.72Å; R65-K67 VanDerWaalsContact C-N 3.3Å; R65-K67 PolarHBondContact O-N 2.92Å; K67-S69 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-N 2.78Å
68	Q	35.1	Very low	41.5	Very low	203 Å²	203	82.1 Å²	82.1	95%	0.949	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-12.8	173.9	-87.4	-179.5	-21.9	0	0	115.5
69	S	37.3	Very low	41.7	Very low	80 Å²	80	88.3 Å²	88.3	56%	0.559	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.1	-178.6	59.3	0	0	0	0	114.7	K67 P71	K67-S69 PolarHBondContact O-N 2.85Å; S69-P71 VanDerWaalsContact O-CD 3.27Å; S69-P71 WeakPolarHBondContact O-CD 3.08Å
70	S	38.8	Very low	41.6	Very low	28 Å²	28	94.8 Å²	94.8	20%	0.196	50%	0.502	C	S	.	.			trans	-108.1	93	176	-159.4	0	0	0	0	110.4	K67 L72	K67-S70 PolarHBondContact O-N 2.78Å; S70-L72 PolarHBondContact O-N 2.76Å; S70-L72 VanDerWaalsContact O-N 3.11Å
71	P	38.6	Very low	41.9	Very low	90 Å²	90	96.7 Å²	96.7	58%	0.584	51%	0.509	S	S	*	.	H	α-helix	trans	-60	-22.8	-173.5	18.8	-29.3	0	0	0	114.2	S69 A74 D75	S69-P71 VanDerWaalsContact O-CD 3.27Å; S69-P71 WeakPolarHBondContact O-CD 3.08Å; P71-A74 PolarHBondContact O-N 3.14Å; P71-D75 PolarHBondContact O-N 3.06Å
72	L	43.7	Very low	42.3	Very low	96 Å²	96	94.4 Å²	94.4	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-74.4	-31.1	-171.8	-86.1	147.9	0	0	0	115.3	S70 A74 D75 I76	S70-L72 PolarHBondContact O-N 2.76Å; S70-L72 VanDerWaalsContact O-N 3.11Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-D75 PolarHBondContact O-N 3.09Å; L72-I76 PolarHBondContact O-N 3.37Å
73	L	41.6	Very low	43.2	Very low	19 Å²	19	91.7 Å²	91.7	10%	0.099	50%	0.497	C	S	.	.	H	α-helix	trans	-77.8	-20.5	175.8	-100.5	148.6	0	0	0	112.5	W42 L61 L64 D75 I76	W42-L73 HydrophobicContact CH2-CD1 3.54Å; W42-L73 HydrophobicContact CZ2-CD1 3.88Å; W42-L73 HydrophobicContact CZ3-CD1 4.38Å; L61-L73 HydrophobicContact CD2-CD2 4.38Å; L64-L73 HydrophobicContact CB-CD1 4.25Å; L73-D75 VanDerWaalsContact C-N 3.32Å; L73-I76 HydrophobicContact CD2-CD1 4.07Å; L73-I76 HydrophobicContact CG-CD1 4.32Å
74	A	41.1	Very low	44	Very low	72 Å²	72	93.9 Å²	93.9	60%	0.595	51%	0.505	S	S	*	.	H	α-helix	trans	-73.2	-28.6	167.8	0	0	0	0	0	111.5	P71 L72	P71-A74 PolarHBondContact O-N 3.14Å; L72-A74 VanDerWaalsContact C-N 3.31Å
75	D	39.4	Very low	45.1	Very low	120 Å²	120	96 Å²	96	64%	0.642	52%	0.519	S	S	*	.	H	α-helix	trans	-80.1	-14.4	175.2	-78.8	-21.5	0	0	0	114	P71 L72 L73 T77	P71-D75 PolarHBondContact O-N 3.06Å; L72-D75 PolarHBondContact O-N 3.09Å; L73-D75 VanDerWaalsContact C-N 3.32Å; D75-T77 PolarHBondContact O-N 3.24Å; D75-T77 PolarHBondContact O-OG1 3.19Å
76	I	49	Very low	46.5	Very low	43 Å²	43	88.3 Å²	88.3	22%	0.221	49%	0.49	C	S	.	.			trans	-74.4	61	163.1	-49.7	174.5	0	0	0	108.4	L36 L72 L73 N78	L36-I76 HydrophobicContact CD2-CD1 3.95Å; L36-I76 HydrophobicContact CD2-CG1 4.29Å; L72-I76 PolarHBondContact O-N 3.37Å; L73-I76 HydrophobicContact CD2-CD1 4.07Å; L73-I76 HydrophobicContact CG-CD1 4.32Å; I76-N78 VanDerWaalsContact C-N 3.28Å
77	T	42.5	Very low	48.2	Very low	123 Å²	123	82 Å²	82	76%	0.755	46%	0.458	S	S	*	.			trans	-71.3	-26.4	170.9	27.1	0	0	0	0	111.7	D75	D75-T77 PolarHBondContact O-N 3.24Å; D75-T77 PolarHBondContact O-OG1 3.19Å
78	N	45.6	Very low	49.8	Very low	89 Å²	89	78 Å²	78	48%	0.476	44%	0.441	S	S	.	.			trans	-104.7	108.8	174	-102.8	-14.9	0	0	0	110.2	I76 D80 D81	I76-N78 VanDerWaalsContact C-N 3.28Å; N78-D80 PolarHBondContact O-N 3.17Å; N78-D81 WeakPolarHBondContact CB-OD2 3.39Å; N78-D81 PolarHBondContact O-N 2.88Å
79	K	48.2	Very low	51.7	Low	160 Å²	160	68.4 Å²	68.4	70%	0.696	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-61.1	-18.5	169.1	-72	-176.7	176.1	-178.3	0	112.6	D81	K79-D81 VanDerWaalsContact C-N 3.33Å
80	D	50.5	Low	53.5	Low	145 Å²	145	67.6 Å²	67.6	78%	0.775	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-75.7	-18.8	-177.2	-63.7	-28.1	0	0	0	113.5	N78	N78-D80 PolarHBondContact O-N 3.17Å
81	D	51.3	Low	55.4	Low	110 Å²	110	70.9 Å²	70.9	59%	0.588	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-87.6	-12.9	179.5	-64.5	-38.7	0	0	0	112.5	N78 K79	N78-D81 WeakPolarHBondContact CB-OD2 3.39Å; N78-D81 PolarHBondContact O-N 2.88Å; K79-D81 VanDerWaalsContact C-N 3.33Å
82	A	54.8	Low	57.2	Low	21 Å²	21	68.5 Å²	68.5	17%	0.174	39%	0.392	C	S	.	.			trans	-98.5	110.7	176.7	0	0	0	0	0	110.4	V34 E35 V85	V34-A82 HydrophobicContact CG1-CB 3.97Å; E35-A82 WeakPolarHBondContact O-CA 3.5Å; A82-V85 HydrophobicContact CB-CG2 4.42Å
83	S	57.7	Low	59	Low	83 Å²	83	70.9 Å²	70.9	58%	0.58	41%	0.406	S	S	*	.	S	Bend	trans	-75.8	-31.2	-176.3	55	0	0	0	0	112.9	E35	E35-S83 WeakPolarHBondContact CB-OG 3.31Å; E35-S83 WeakPolarHBondContact CG-OG 3.41Å; E35-S83 PolarHBondContact O-N 3.19Å; E35-S83 VanDerWaalsContact O-N 3.13Å; E35-S83 PolarHBondContact O-OG 3.29Å; E35-S83 PolarHBondContact OE2-OG 3.32Å
84	M	56.7	Low	60.9	Low	77 Å²	77	76.7 Å²	76.7	38%	0.379	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	124.3	-175.1	179.6	176.6	-69.9	0	0	110.6	W33 V34 E35 V86	W33-M84 HydrophobicContact CE3-CG 4.35Å; W33-M84 HydrophobicContact CH2-SD 4.26Å; W33-M84 HydrophobicContact CZ3-CB 3.84Å; W33-M84 HydrophobicContact CZ3-CG 3.68Å; W33-M84 HydrophobicContact CZ3-SD 3.67Å; V34-M84 VanDerWaalsContact CA-O 3.31Å; V34-M84 WeakPolarHBondContact CA-O 3.39Å; E35-M84 PolarHBondContact N-O 3.06Å; M84-V86 HydrophobicContact CG-CG2 4.07Å; M84-V86 HydrophobicContact SD-CG2 4.27Å
85	V	65.2	Low	62.6	Low	61 Å²	61	74.7 Å²	74.7	37%	0.37	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.1	174.3	178.3	0	0	0	0	108	V34 L61 A82	V34-V85 HydrophobicContact CG1-CG2 4.21Å; V34-V85 HydrophobicContact CG2-CG1 4.2Å; V34-V85 HydrophobicContact CG2-CG2 4.17Å; L61-V85 HydrophobicContact CD1-CG1 4.06Å; L61-V85 HydrophobicContact CD1-CG2 4.35Å; L61-V85 HydrophobicContact CD2-CG1 3.74Å; L61-V85 HydrophobicContact CG-CG1 3.89Å; A82-V85 HydrophobicContact CB-CG2 4.42Å
86	V	67.3	Low	64.5	Low	1 Å²	1	70.5 Å²	70.5	1%	0.006	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.9	176.6	165	0	0	0	0	107.9	A32 W33 M84 V88 V100 Y104	A32-V86 CarbonylContact C-O 3.53Å; A32-V86 VanDerWaalsContact CA-O 3.24Å; A32-V86 WeakPolarHBondContact CA-O 3.41Å; W33-V86 HydrophobicContact CB-CB 4.25Å; W33-V86 HydrophobicContact CE3-CB 4.46Å; W33-V86 HydrophobicContact CE3-CG2 4.26Å; W33-V86 PolarHBondContact N-O 3.45Å; W33-V86 PolarHBondContact O-N 2.76Å; M84-V86 HydrophobicContact CG-CG2 4.07Å; M84-V86 HydrophobicContact SD-CG2 4.27Å; V86-V88 HydrophobicContact CG1-CG2 4.12Å; V86-V100 HydrophobicContact CG1-CG1 3.77Å; V86-Y104 HydrophobicContact CB-CD2 4.05Å; V86-Y104 HydrophobicContact CB-CG 4.26Å; V86-Y104 VanDerWaalsContact CG1-CB 3.46Å; V86-Y104 HydrophobicContact CG1-CD2 3.52Å; V86-Y104 HydrophobicContact CG1-CE2 4.47Å; V86-Y104 HydrophobicContact CG1-CG 3.67Å; V86-Y104 HydrophobicContact CG2-CD1 3.89Å; V86-Y104 HydrophobicContact CG2-CD2 3.6Å; V86-Y104 HydrophobicContact CG2-CE1 4.2Å; V86-Y104 HydrophobicContact CG2-CE2 3.92Å; V86-Y104 HydrophobicContact CG2-CG 3.6Å
87	C	70.9	Confident	65.9	Low	11 Å²	11	71.6 Å²	71.6	7%	0.074	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	120.3	171.9	-156.1	0	0	0	0	110.5	L30 C59	L30-C87 WeakPolarHBondContact CD1-SG 3.34Å; C59-C87 HydrophobicContact CB-CB 4.08Å; C59-C87 WeakPolarHBondContact CB-SG 3.44Å; C59-C87 VanDerWaalsContact O-CB 3.25Å; C59-C87 WeakPolarHBondContact O-CB 3.06Å; C59-C87 PolarHBondContact SG-SG 3.16Å
88	V	71.1	Confident	67.7	Low	5 Å²	5	67.4 Å²	67.4	3%	0.03	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.8	-178.9	-176	0	0	0	0	108.3	A31 V86 T103 L107	A31-V88 HydrophobicContact CB-CB 4.49Å; A31-V88 PolarHBondContact N-O 3.11Å; A31-V88 PolarHBondContact O-N 3.23Å; V86-V88 HydrophobicContact CG1-CG2 4.12Å; V88-T103 HydrophobicContact CG1-CG2 4.02Å; V88-T103 HydrophobicContact CG2-CG2 4.4Å; V88-L107 HydrophobicContact CG1-CD1 3.71Å; V88-L107 HydrophobicContact CG2-CD1 4.4Å
89	C	74.3	Confident	69.2	Low	3 Å²	3	64.2 Å²	64.2	2%	0.02	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.8	172.3	-64.6	0	0	0	0	108.3	C29 G56 C59	C29-C89 VanDerWaalsContact O-CA 3.31Å; C29-C89 WeakPolarHBondContact O-CA 3.37Å; G56-C89 PolarHBondContact N-O 3.29Å; G56-C89 VanDerWaalsContact N-O 3.14Å; C59-C89 HydrophobicContact CB-CB 4.38Å; C59-C89 WeakPolarHBondContact CB-SG 3.43Å; C59-C89 WeakPolarHBondContact SG-CB 3.03Å; C59-C89 PolarHBondContact SG-N 3.25Å; C59-C89 CovalentContact SG-SG 2.03Å; C59-C89 PolarHBondContact SG-SG 2.78Å
90	N	74.7	Confident	70.4	Confident	62 Å²	62	56.7 Å²	56.7	33%	0.332	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.3	-179.8	-150.2	-0.9	0	0	0	110.3	F28 C29 C95	F28-N90 CarbonylContact C-O 3.59Å; F28-N90 VanDerWaalsContact CA-O 3.29Å; F28-N90 WeakPolarHBondContact CA-O 3.22Å; F28-N90 WeakPolarHBondContact CB-O 2.99Å; C29-N90 PolarHBondContact N-O 3.39Å; C29-N90 PolarHBondContact O-N 3.27Å; C29-N90 VanDerWaalsContact O-N 3.12Å; N90-C95 HydrophobicContact CB-CB 4.14Å; N90-C95 PolarHBondContact O-SG 3.49Å
91	N	78.3	Confident	71.3	Confident	98 Å²	98	53.8 Å²	53.8	52%	0.524	32%	0.316	S	S	.	.			trans	-109.8	152.4	178.2	-168.9	-3.8	0	0	0	110.6	Q27 F28	Q27-N91 PolarHBondContact O-OD1 3.49Å; F28-N91 HydrophobicContact CD1-CB 4.09Å; F28-N91 HydrophobicContact CE1-CB 4.16Å
92	G	77.2	Confident	72.3	Confident	39 Å²	39	57 Å²	57	40%	0.402	32%	0.32	S	S	.	.	S	Bend	trans	109.3	166.9	-179.7	0	0	0	0	0	113.1	C29 C95	C29-G92 PolarHBondContact SG-O 2.98Å; G92-C95 WeakPolarHBondContact O-CB 3.39Å; G92-C95 PolarHBondContact O-SG 3.03Å
93	D	80.9	Confident	73	Confident	147 Å²	147	58 Å²	58	79%	0.786	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	137.6	179.5	-64.4	-31	0	0	0	111.2	C95	D93-C95 PolarHBondContact O-N 3.19Å; D93-C95 VanDerWaalsContact O-N 3.12Å
94	F	81.3	Confident	73.4	Confident	141 Å²	141	57.6 Å²	57.6	62%	0.618	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	24.3	177.1	-44.1	-72.8	0	0	0	114.5	T19 N96 A97	T19-F94 HydrophobicContact CG2-CD1 3.79Å; T19-F94 HydrophobicContact CG2-CE1 3.46Å; T19-F94 VanDerWaalsContact CG2-CE1 3.46Å; F94-N96 PolarHBondContact O-N 2.82Å; F94-N96 VanDerWaalsContact O-N 3.14Å; F94-A97 HydrophobicContact CB-CB 4.31Å; F94-A97 WeakPolarHBondContact O-CB 3.36Å; F94-A97 PolarHBondContact O-N 3.05Å
95	C	77.9	Confident	74	Confident	29 Å²	29	58 Å²	58	20%	0.196	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7	-174.4	71.3	0	0	0	0	114.8	C29 N90 G92 D93	C29-C95 HydrophobicContact CB-CB 4.24Å; C29-C95 WeakPolarHBondContact CB-SG 3.28Å; C29-C95 VanDerWaalsContact SG-CA 3.56Å; C29-C95 WeakPolarHBondContact SG-CB 3.48Å; C29-C95 PolarHBondContact SG-N 3.3Å; C29-C95 CovalentContact SG-SG 2.04Å; C29-C95 PolarHBondContact SG-SG 3.13Å; N90-C95 HydrophobicContact CB-CB 4.14Å; N90-C95 PolarHBondContact O-SG 3.49Å; G92-C95 WeakPolarHBondContact O-CB 3.39Å; G92-C95 PolarHBondContact O-SG 3.03Å; D93-C95 PolarHBondContact O-N 3.19Å; D93-C95 VanDerWaalsContact O-N 3.12Å
96	N	79	Confident	74	Confident	33 Å²	33	60 Å²	60	18%	0.176	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	14.4	169.9	64.3	-10.7	0	0	0	113.3	C29 L30 A31 K45 G46 F94	C29-N96 HydrophobicContact CB-CB 3.61Å; C29-N96 VanDerWaalsContact CB-CG 3.5Å; L30-N96 PolarHBondContact O-ND2 3.37Å; A31-N96 HydrophobicContact CB-CB 3.75Å; K45-N96 WeakPolarHBondContact CD-O 3.21Å; K45-N96 VanDerWaalsContact CE-O 3.27Å; K45-N96 WeakPolarHBondContact CE-O 3.47Å; K45-N96 PolarHBondContact NZ-O 3.12Å; G46-N96 PolarHBondContact N-ND2 3.22Å; G46-N96 PolarHBondContact O-ND2 3.22Å; G46-N96 VanDerWaalsContact O-ND2 3.15Å; F94-N96 PolarHBondContact O-N 2.82Å; F94-N96 VanDerWaalsContact O-N 3.14Å
97	A	79.3	Confident	73.7	Confident	66 Å²	66	61.8 Å²	61.8	55%	0.545	33%	0.33	S	S	.	.			trans	-69.8	147.1	174.4	0	0	0	0	0	111.3	F94	F94-A97 HydrophobicContact CB-CB 4.31Å; F94-A97 WeakPolarHBondContact O-CB 3.36Å; F94-A97 PolarHBondContact O-N 3.05Å
98	G	78.9	Confident	73.1	Confident	35 Å²	35	62.8 Å²	62.8	36%	0.361	34%	0.339	S	S	.	.	S	Bend	trans	80.5	-175.2	-179.1	0	0	0	0	0	114.5	D14 K45 V100	D14-G98 WeakPolarHBondContact OD2-CA 3.36Å; K45-G98 PolarHBondContact NZ-O 3.08Å; G98-V100 PolarHBondContact O-N 3.36Å
99	S	77.1	Confident	72.2	Confident	22 Å²	22	67.5 Å²	67.5	15%	0.154	36%	0.363	C	S	.	.			trans	-62.9	125.2	-172.9	166.9	0	0	0	0	112.6	D13 D14 R101 R102 T103	D13-S99 VanDerWaalsContact CB-OG 3.29Å; D13-S99 WeakPolarHBondContact CB-OG 3.27Å; D13-S99 WeakPolarHBondContact O-CA 3.05Å; D13-S99 PolarHBondContact O-OG 3.19Å; D14-S99 PolarHBondContact OD2-N 3.13Å; D14-S99 VanDerWaalsContact OD2-N 3.16Å; S99-R101 VanDerWaalsContact C-N 3.33Å; S99-R101 PolarHBondContact OG-N 3.31Å; S99-R102 PolarHBondContact OG-N 3.3Å; S99-R102 VanDerWaalsContact OG-N 3.13Å; S99-T103 WeakPolarHBondContact O-CB 2.93Å; S99-T103 PolarHBondContact O-N 2.82Å; S99-T103 PolarHBondContact O-OG1 3.2Å
100	V	74.2	Confident	71.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.7	-178.5	0	0	0	0	110	D13 A31 W33 V43 V86 G98 T103 Y104	D13-V100 PolarHBondContact O-N 2.02Å; D13-V100 VanDerWaalsContact O-N 3.17Å; A31-V100 HydrophobicContact CB-CB 4.46Å; A31-V100 HydrophobicContact CB-CG1 4.09Å; A31-V100 HydrophobicContact CB-CG2 3.7Å; W33-V100 HydrophobicContact CB-CB 3.87Å; W33-V100 HydrophobicContact CB-CG1 3.59Å; V43-V100 HydrophobicContact CG1-CG2 3.74Å; V86-V100 HydrophobicContact CG1-CG1 3.77Å; G98-V100 PolarHBondContact O-N 3.36Å; V100-T103 WeakPolarHBondContact O-CB 3.19Å; V100-T103 PolarHBondContact O-N 3.4Å; V100-Y104 WeakPolarHBondContact O-CB 3.39Å; V100-Y104 PolarHBondContact O-N 2.88Å
101	R	70.2	Confident	70	Confident	84 Å²	84	72.5 Å²	72.5	32%	0.317	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-50	177.2	-174.2	-177	178.9	150.4	6.9	112.6	D13 S99 T103 Y104 E105	D13-R101 HydrophobicContact CB-CB 3.83Å; D13-R101 VanDerWaalsContact CG-CD 3.45Å; D13-R101 WeakPolarHBondContact OD1-CD 3.13Å; D13-R101 IonicContact OD1-NH1 3.46Å; S99-R101 VanDerWaalsContact C-N 3.33Å; S99-R101 PolarHBondContact OG-N 3.31Å; R101-T103 VanDerWaalsContact C-N 3.26Å; R101-T103 PolarHBondContact O-N 3.45Å; R101-Y104 WeakPolarHBondContact O-CB 3.29Å; R101-Y104 PolarHBondContact O-N 2.94Å; R101-E105 HydrophobicContact CG-CG 4.45Å; R101-E105 IonicContact NE-OE1 3.51Å; R101-E105 PolarHBondContact NE-OE1 3.36Å; R101-E105 WeakPolarHBondContact O-CG 3.37Å; R101-E105 PolarHBondContact O-N 2.93Å
102	R	71.6	Confident	68.7	Low	177 Å²	177	73.4 Å²	73.4	67%	0.668	40%	0.397	S	S	*	.	H	α-helix	trans	-60.4	-40.3	176.2	-92	-172.9	179.8	154.5	2.9	112	S99 Y104 E105 N106	S99-R102 PolarHBondContact OG-N 3.3Å; S99-R102 VanDerWaalsContact OG-N 3.13Å; R102-Y104 VanDerWaalsContact C-N 3.31Å; R102-E105 PolarHBondContact O-N 2.89Å; R102-N106 WeakPolarHBondContact O-CB 3.49Å; R102-N106 PolarHBondContact O-N 3.03Å; R102-N106 PolarHBondContact O-ND2 2.77Å
103	T	69.1	Low	66.8	Low	44 Å²	44	76.1 Å²	76.1	27%	0.27	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-45.9	178.1	-59.3	0	0	0	0	110	V88 S99 V100 R101 N106 L107	V88-T103 HydrophobicContact CG1-CG2 4.02Å; V88-T103 HydrophobicContact CG2-CG2 4.4Å; S99-T103 WeakPolarHBondContact O-CB 2.93Å; S99-T103 PolarHBondContact O-N 2.82Å; S99-T103 PolarHBondContact O-OG1 3.2Å; V100-T103 WeakPolarHBondContact O-CB 3.19Å; V100-T103 PolarHBondContact O-N 3.4Å; R101-T103 VanDerWaalsContact C-N 3.26Å; R101-T103 PolarHBondContact O-N 3.45Å; T103-N106 PolarHBondContact O-N 3.46Å; T103-L107 HydrophobicContact CG2-CD1 3.73Å; T103-L107 WeakPolarHBondContact O-CB 3.27Å; T103-L107 WeakPolarHBondContact O-CD1 3.28Å; T103-L107 PolarHBondContact O-N 2.91Å
104	Y	66.8	Low	64.8	Low	74 Å²	74	71.8 Å²	71.8	29%	0.29	38%	0.383	S	S	.	.	H	α-helix	trans	-59.9	-49.1	172.6	174.6	-92.6	0	0	0	113.3	L57 V86 V100 R101 R102 N106 L107 A108	L57-Y104 HydrophobicContact CD1-CE2 4.48Å; L57-Y104 HydrophobicContact CD2-CD2 3.47Å; L57-Y104 VanDerWaalsContact CD2-CD2 3.47Å; L57-Y104 HydrophobicContact CD2-CE2 3.44Å; L57-Y104 VanDerWaalsContact CD2-CE2 3.44Å; L57-Y104 HydrophobicContact CG-CD2 4.42Å; V86-Y104 HydrophobicContact CB-CD2 4.05Å; V86-Y104 HydrophobicContact CB-CG 4.26Å; V86-Y104 VanDerWaalsContact CG1-CB 3.46Å; V86-Y104 HydrophobicContact CG1-CD2 3.52Å; V86-Y104 HydrophobicContact CG1-CE2 4.47Å; V86-Y104 HydrophobicContact CG1-CG 3.67Å; V86-Y104 HydrophobicContact CG2-CD1 3.89Å; V86-Y104 HydrophobicContact CG2-CD2 3.6Å; V86-Y104 HydrophobicContact CG2-CE1 4.2Å; V86-Y104 HydrophobicContact CG2-CE2 3.92Å; V86-Y104 HydrophobicContact CG2-CG 3.6Å; V100-Y104 WeakPolarHBondContact O-CB 3.39Å; V100-Y104 PolarHBondContact O-N 2.88Å; R101-Y104 WeakPolarHBondContact O-CB 3.29Å; R101-Y104 PolarHBondContact O-N 2.94Å; R102-Y104 VanDerWaalsContact C-N 3.31Å; Y104-N106 VanDerWaalsContact C-N 3.3Å; Y104-N106 PolarHBondContact O-N 3.19Å; Y104-L107 PolarHBondContact O-N 3.25Å; Y104-A108 HydrophobicContact CE1-CB 4.42Å; Y104-A108 VanDerWaalsContact O-CB 3.27Å; Y104-A108 WeakPolarHBondContact O-CB 3.21Å; Y104-A108 PolarHBondContact O-N 2.85Å
105	E	68.6	Low	62.9	Low	84 Å²	84	68.4 Å²	68.4	39%	0.393	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-43.3	179.7	-73.6	171.7	179	0	0	111.1	R101 R102 L109	R101-E105 HydrophobicContact CG-CG 4.45Å; R101-E105 IonicContact NE-OE1 3.51Å; R101-E105 PolarHBondContact NE-OE1 3.36Å; R101-E105 WeakPolarHBondContact O-CG 3.37Å; R101-E105 PolarHBondContact O-N 2.93Å; R102-E105 PolarHBondContact O-N 2.89Å; E105-L109 WeakPolarHBondContact O-CB 3.38Å; E105-L109 WeakPolarHBondContact O-CD1 3.34Å; E105-L109 WeakPolarHBondContact O-CG 3.31Å; E105-L109 PolarHBondContact O-N 2.76Å
106	N	66.1	Low	61	Low	103 Å²	103	69.6 Å²	69.6	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-64.9	-43.7	175.5	-75	-28.6	0	0	0	112.3	R102 T103 Y104 L109 V110	R102-N106 WeakPolarHBondContact O-CB 3.49Å; R102-N106 PolarHBondContact O-N 3.03Å; R102-N106 PolarHBondContact O-ND2 2.77Å; T103-N106 PolarHBondContact O-N 3.46Å; Y104-N106 VanDerWaalsContact C-N 3.3Å; Y104-N106 PolarHBondContact O-N 3.19Å; N106-L109 PolarHBondContact O-N 3.06Å; N106-V110 VanDerWaalsContact O-CG2 3.29Å; N106-V110 WeakPolarHBondContact O-CG2 3.33Å; N106-V110 PolarHBondContact O-N 2.96Å
107	L	60.1	Low	59.2	Low	40 Å²	40	77.3 Å²	77.3	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-66.9	-42.5	178.6	-88.7	150.3	0	0	0	112	G56 L57 V88 T103 Y104 V110 I111	G56-L107 VanDerWaalsContact O-CD1 3.22Å; G56-L107 WeakPolarHBondContact O-CD1 3.38Å; G56-L107 WeakPolarHBondContact O-CD2 3.49Å; L57-L107 HydrophobicContact CD1-CB 3.75Å; L57-L107 HydrophobicContact CG-CB 4.23Å; V88-L107 HydrophobicContact CG1-CD1 3.71Å; V88-L107 HydrophobicContact CG2-CD1 4.4Å; T103-L107 HydrophobicContact CG2-CD1 3.73Å; T103-L107 WeakPolarHBondContact O-CB 3.27Å; T103-L107 WeakPolarHBondContact O-CD1 3.28Å; T103-L107 PolarHBondContact O-N 2.91Å; Y104-L107 PolarHBondContact O-N 3.25Å; L107-V110 PolarHBondContact O-N 2.62Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.46Å
108	A	58.8	Low	57.4	Low	32 Å²	32	81 Å²	81	26%	0.264	42%	0.42	S	S	.	.	H	α-helix	trans	-61.4	-44.8	175.1	0	0	0	0	0	110.9	L57 Y104 V110 I111 D112	L57-A108 HydrophobicContact CD1-CB 4.49Å; Y104-A108 HydrophobicContact CE1-CB 4.42Å; Y104-A108 VanDerWaalsContact O-CB 3.27Å; Y104-A108 WeakPolarHBondContact O-CB 3.21Å; Y104-A108 PolarHBondContact O-N 2.85Å; A108-V110 VanDerWaalsContact C-N 3.29Å; A108-V110 PolarHBondContact O-N 3.49Å; A108-I111 PolarHBondContact O-N 2.72Å; A108-D112 WeakPolarHBondContact O-CB 3.29Å; A108-D112 PolarHBondContact O-N 2.86Å
109	L	51.5	Low	55.7	Low	104 Å²	104	82.9 Å²	82.9	55%	0.545	43%	0.427	S	S	.	.	H	α-helix	trans	-60.3	-37	174.4	-78.1	166.9	0	0	0	112.8	E105 N106 N113	E105-L109 WeakPolarHBondContact O-CB 3.38Å; E105-L109 WeakPolarHBondContact O-CD1 3.34Å; E105-L109 WeakPolarHBondContact O-CG 3.31Å; E105-L109 PolarHBondContact O-N 2.76Å; N106-L109 PolarHBondContact O-N 3.06Å; L109-N113 WeakPolarHBondContact O-CB 3.34Å; L109-N113 PolarHBondContact O-N 3.36Å; L109-N113 PolarHBondContact O-ND2 3.37Å
110	V	52.8	Low	54.4	Low	88 Å²	88	89 Å²	89	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-69.6	-43.6	176.1	170	0	0	0	0	110.9	N106 L107 A108 N113 S114	N106-V110 VanDerWaalsContact O-CG2 3.29Å; N106-V110 WeakPolarHBondContact O-CG2 3.33Å; N106-V110 PolarHBondContact O-N 2.96Å; L107-V110 PolarHBondContact O-N 2.62Å; A108-V110 VanDerWaalsContact C-N 3.29Å; A108-V110 PolarHBondContact O-N 3.49Å; V110-N113 PolarHBondContact O-N 3.18Å; V110-S114 VanDerWaalsContact O-CB 3.28Å; V110-S114 WeakPolarHBondContact O-CB 3.32Å; V110-S114 PolarHBondContact O-N 3.02Å; V110-S114 PolarHBondContact O-OG 3.07Å
111	I	50.6	Low	53.6	Low	81 Å²	81	92.6 Å²	92.6	42%	0.415	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-42.3	178.2	-67.1	177.5	0	0	0	110.7	L57 L107 A108 N113 S114 S115	L57-I111 HydrophobicContact CB-CD1 3.92Å; L57-I111 HydrophobicContact CD1-CD1 3.54Å; L57-I111 HydrophobicContact CG-CD1 4.35Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.46Å; A108-I111 PolarHBondContact O-N 2.72Å; I111-N113 PolarHBondContact O-N 2.87Å; I111-S114 WeakPolarHBondContact O-CB 3.41Å; I111-S114 PolarHBondContact O-N 3.46Å; I111-S114 VanDerWaalsContact O-N 3.16Å; I111-S115 WeakPolarHBondContact O-CB 3.45Å; I111-S115 PolarHBondContact O-N 2.95Å; I111-S115 PolarHBondContact O-OG 3.4Å
112	D	50	Low	53.1	Low	118 Å²	118	91.3 Å²	91.3	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-66.4	-41.9	-179.8	-149.3	14.9	0	0	0	110.8	A108 S114 S115 A116	A108-D112 WeakPolarHBondContact O-CB 3.29Å; A108-D112 PolarHBondContact O-N 2.86Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 PolarHBondContact O-N 2.93Å; D112-S115 WeakPolarHBondContact O-CB 3.43Å; D112-S115 PolarHBondContact O-N 3.03Å; D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 3.37Å
113	N	39.2	Very low	52.5	Low	96 Å²	96	91 Å²	91	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-33	171.7	-93.8	-50.1	0	0	0	113.8	L109 V110 I111 A116 R117	L109-N113 WeakPolarHBondContact O-CB 3.34Å; L109-N113 PolarHBondContact O-N 3.36Å; L109-N113 PolarHBondContact O-ND2 3.37Å; V110-N113 PolarHBondContact O-N 3.18Å; I111-N113 PolarHBondContact O-N 2.87Å; N113-A116 PolarHBondContact O-N 3.43Å; N113-R117 WeakPolarHBondContact O-CB 3.5Å; N113-R117 WeakPolarHBondContact O-CG 3.36Å; N113-R117 PolarHBondContact O-N 3.16Å
114	S	38.6	Very low	52.4	Low	56 Å²	56	92 Å²	92	39%	0.392	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-41.4	177.2	-59.7	0	0	0	0	110.5	V110 I111 D112 A116 R117 F118	V110-S114 VanDerWaalsContact O-CB 3.28Å; V110-S114 WeakPolarHBondContact O-CB 3.32Å; V110-S114 PolarHBondContact O-N 3.02Å; V110-S114 PolarHBondContact O-OG 3.07Å; I111-S114 WeakPolarHBondContact O-CB 3.41Å; I111-S114 PolarHBondContact O-N 3.46Å; I111-S114 VanDerWaalsContact O-N 3.16Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 PolarHBondContact O-N 2.93Å; S114-A116 VanDerWaalsContact C-N 3.35Å; S114-R117 PolarHBondContact O-N 3.5Å; S114-F118 WeakPolarHBondContact O-CD2 3.33Å; S114-F118 PolarHBondContact O-N 3.36Å
115	S	40.4	Very low	52.5	Low	69 Å²	69	92 Å²	92	48%	0.483	50%	0.495	S	S	.	.	H	α-helix	trans	-60.5	-44.5	172.8	-48.3	0	0	0	0	111.3	I111 D112 F118 S119	I111-S115 WeakPolarHBondContact O-CB 3.45Å; I111-S115 PolarHBondContact O-N 2.95Å; I111-S115 PolarHBondContact O-OG 3.4Å; D112-S115 WeakPolarHBondContact O-CB 3.43Å; D112-S115 PolarHBondContact O-N 3.03Å; S115-F118 PolarHBondContact O-N 3.34Å; S115-S119 PolarHBondContact O-N 2.94Å; S115-S119 VanDerWaalsContact O-N 3.16Å
116	A	37.9	Very low	52.6	Low	54 Å²	54	92.6 Å²	92.6	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-66	-39.5	177.9	0	0	0	0	0	112.6	D112 N113 S114 S119	D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 3.37Å; N113-A116 PolarHBondContact O-N 3.43Å; S114-A116 VanDerWaalsContact C-N 3.35Å; A116-S119 PolarHBondContact O-N 3.49Å; A116-S119 VanDerWaalsContact O-N 3.17Å; A116-S119 PolarHBondContact O-OG 2.99Å
117	R	41.2	Very low	53.1	Low	195 Å²	195	93.7 Å²	93.7	74%	0.736	50%	0.501	S	S	*	.	H	α-helix	trans	-71.2	-27.9	177.2	-76	-179.1	-178.2	-168.8	2.1	113.6	N113 S114 S119	N113-R117 WeakPolarHBondContact O-CB 3.5Å; N113-R117 WeakPolarHBondContact O-CG 3.36Å; N113-R117 PolarHBondContact O-N 3.16Å; S114-R117 PolarHBondContact O-N 3.5Å; R117-S119 VanDerWaalsContact C-N 3.3Å
118	F	42.2	Very low	54	Low	145 Å²	145	99.4 Å²	99.4	64%	0.636	52%	0.52	S	S	*	.	H	α-helix	trans	-82.6	-6.9	171	-87.9	-82.8	0	0	0	113.6	S114 S115	S114-F118 WeakPolarHBondContact O-CD2 3.33Å; S114-F118 PolarHBondContact O-N 3.36Å; S115-F118 PolarHBondContact O-N 3.34Å
119	S	43.6	Very low	55	Low	73 Å²	73	102.9 Å²	102.9	51%	0.51	53%	0.533	S	S	.	.	S	Bend	trans	-86.8	123.3	173.8	86.8	0	0	0	0	110.8	S115 A116 R117 S121	S115-S119 PolarHBondContact O-N 2.94Å; S115-S119 VanDerWaalsContact O-N 3.16Å; A116-S119 PolarHBondContact O-N 3.49Å; A116-S119 VanDerWaalsContact O-N 3.17Å; A116-S119 PolarHBondContact O-OG 2.99Å; R117-S119 VanDerWaalsContact C-N 3.3Å; S119-S121 PolarHBondContact O-N 3.11Å
120	M	50.1	Low	56.3	Low	151 Å²	151	103.5 Å²	103.5	74%	0.744	54%	0.537	S	S	*	.	S	Bend	trans	73.5	-49.7	164.1	-135.1	157.4	173.9	0	0	119.1	T124	M120-T124 WeakPolarHBondContact O-CB 3.36Å; M120-T124 WeakPolarHBondContact O-CG2 3.4Å; M120-T124 PolarHBondContact O-N 2.86Å; M120-T124 PolarHBondContact O-OG1 3.17Å
121	S	56.8	Low	57.7	Low	77 Å²	77	102 Å²	102	54%	0.538	53%	0.525	S	S	.	.	H	α-helix	trans	-70	-42	-172.9	178.5	0	0	0	0	113.4	S119 T124 T125	S119-S121 PolarHBondContact O-N 3.11Å; S121-T124 WeakPolarHBondContact CA-OG1 3.35Å; S121-T124 PolarHBondContact O-OG1 3.4Å; S121-T125 PolarHBondContact O-N 2.74Å; S121-T125 PolarHBondContact O-OG1 3.16Å
122	V	58.4	Low	59.2	Low	57 Å²	57	103.5 Å²	103.5	35%	0.345	53%	0.533	S	S	.	.	H	α-helix	trans	-70.8	-40.4	-179.1	179.4	0	0	0	0	111.4	T125 L126	V122-T125 WeakPolarHBondContact CA-OG1 3.4Å; V122-T125 PolarHBondContact O-N 3.06Å; V122-T125 PolarHBondContact O-OG1 3Å; V122-T125 VanDerWaalsContact O-OG1 3.11Å; V122-L126 HydrophobicContact CG1-CD1 3.89Å; V122-L126 WeakPolarHBondContact O-CB 3.42Å; V122-L126 WeakPolarHBondContact O-CG 3.41Å; V122-L126 PolarHBondContact O-N 2.64Å
123	Y	59.1	Low	60.6	Low	169 Å²	169	101 Å²	101	66%	0.663	52%	0.523	S	S	*	.	H	α-helix	trans	-66.5	-41.3	176.3	-79.6	-79.1	0	0	0	112.3	F127	Y123-F127 WeakPolarHBondContact O-CB 3.34Å; Y123-F127 PolarHBondContact O-N 3.32Å
124	T	67.2	Low	62.3	Low	65 Å²	65	99.1 Å²	99.1	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-68	-40.7	176.6	47.2	0	0	0	0	111.7	M120 S121 F127 W128	M120-T124 WeakPolarHBondContact O-CB 3.36Å; M120-T124 WeakPolarHBondContact O-CG2 3.4Å; M120-T124 PolarHBondContact O-N 2.86Å; M120-T124 PolarHBondContact O-OG1 3.17Å; S121-T124 WeakPolarHBondContact CA-OG1 3.35Å; S121-T124 PolarHBondContact O-OG1 3.4Å; T124-F127 PolarHBondContact O-N 3.33Å; T124-W128 WeakPolarHBondContact O-CB 3.37Å; T124-W128 PolarHBondContact O-N 2.9Å
125	T	68.7	Low	64.1	Low	74 Å²	74	101.2 Å²	101.2	45%	0.454	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-43.2	175.3	34.2	0	0	0	0	112.6	S121 V122 W128 L129	S121-T125 PolarHBondContact O-N 2.74Å; S121-T125 PolarHBondContact O-OG1 3.16Å; V122-T125 WeakPolarHBondContact CA-OG1 3.4Å; V122-T125 PolarHBondContact O-N 3.06Å; V122-T125 PolarHBondContact O-OG1 3Å; V122-T125 VanDerWaalsContact O-OG1 3.11Å; T125-W128 PolarHBondContact O-N 3.37Å; T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 PolarHBondContact O-N 3.06Å
126	L	70.8	Confident	65.8	Low	97 Å²	97	102.3 Å²	102.3	51%	0.508	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-41	174	-78.9	165.1	0	0	0	112.2	V122 L129 L130	V122-L126 HydrophobicContact CG1-CD1 3.89Å; V122-L126 WeakPolarHBondContact O-CB 3.42Å; V122-L126 WeakPolarHBondContact O-CG 3.41Å; V122-L126 PolarHBondContact O-N 2.64Å; L126-L129 PolarHBondContact O-N 2.96Å; L126-L130 WeakPolarHBondContact O-CG 3.17Å; L126-L130 PolarHBondContact O-N 3Å
127	F	77.6	Confident	67.1	Low	127 Å²	127	110 Å²	110	56%	0.557	55%	0.552	S	S	*	*	H	α-helix	trans	-63.4	-44.8	177	-176.8	-101.5	0	0	0	112.2	Y123 T124 L130 I131	Y123-F127 WeakPolarHBondContact O-CB 3.34Å; Y123-F127 PolarHBondContact O-N 3.32Å; T124-F127 PolarHBondContact O-N 3.33Å; F127-L130 PolarHBondContact O-N 3.3Å; F127-I131 HydrophobicContact CD1-CD1 3.81Å; F127-I131 HydrophobicContact CE1-CD1 3.31Å; F127-I131 HydrophobicContact CE1-CG1 4.4Å; F127-I131 HydrophobicContact CE2-CD1 4.5Å; F127-I131 HydrophobicContact CZ-CD1 3.71Å; F127-I131 WeakPolarHBondContact O-CG1 3.36Å; F127-I131 PolarHBondContact O-N 3.36Å
128	W	77.8	Confident	68	Low	159 Å²	159	110.2 Å²	110.2	60%	0.602	55%	0.553	S	S	*	*	H	α-helix	trans	-66.9	-37	175.9	-79.3	114.5	0	0	0	112.9	T124 T125 L130 I131 L132	T124-W128 WeakPolarHBondContact O-CB 3.37Å; T124-W128 PolarHBondContact O-N 2.9Å; T125-W128 PolarHBondContact O-N 3.37Å; W128-L130 VanDerWaalsContact C-N 3.33Å; W128-L130 PolarHBondContact O-N 2.95Å; W128-I131 HydrophobicContact CE3-CD1 4.48Å; W128-I131 PolarHBondContact O-N 2.9Å; W128-L132 WeakPolarHBondContact O-CB 3.32Å; W128-L132 WeakPolarHBondContact O-CG 3.28Å; W128-L132 PolarHBondContact O-N 2.92Å
129	L	80.2	Confident	68.6	Low	105 Å²	105	108.7 Å²	108.7	55%	0.55	56%	0.557	S	S	.	*	H	α-helix	trans	-61.3	-40.8	172.7	-100.3	150.3	0	0	0	112	T125 L126 T133	T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 PolarHBondContact O-N 3.06Å; L126-L129 PolarHBondContact O-N 2.96Å; L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 WeakPolarHBondContact O-CG2 3.48Å; L129-T133 PolarHBondContact O-N 3.5Å; L129-T133 PolarHBondContact O-OG1 2.9Å
130	L	79.8	Confident	69.2	Low	118 Å²	118	114 Å²	114	62%	0.618	58%	0.579	S	S	*	*	H	α-helix	trans	-65.8	-41.4	175.2	-74.9	167.4	0	0	0	112.1	L126 F127 W128 T133 A134	L126-L130 WeakPolarHBondContact O-CG 3.17Å; L126-L130 PolarHBondContact O-N 3Å; F127-L130 PolarHBondContact O-N 3.3Å; W128-L130 VanDerWaalsContact C-N 3.33Å; W128-L130 PolarHBondContact O-N 2.95Å; L130-T133 WeakPolarHBondContact CA-OG1 3.31Å; L130-T133 PolarHBondContact O-OG1 3.25Å; L130-T133 VanDerWaalsContact O-OG1 3.06Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 2.91Å
131	I	80.8	Confident	69.2	Low	56 Å²	56	109.8 Å²	109.8	29%	0.287	57%	0.574	S	S	.	*	H	α-helix	trans	-64.9	-46.5	176.3	-70.1	175.4	0	0	0	111	F127 W128 T133 A134 L135	F127-I131 HydrophobicContact CD1-CD1 3.81Å; F127-I131 HydrophobicContact CE1-CD1 3.31Å; F127-I131 HydrophobicContact CE1-CG1 4.4Å; F127-I131 HydrophobicContact CE2-CD1 4.5Å; F127-I131 HydrophobicContact CZ-CD1 3.71Å; F127-I131 WeakPolarHBondContact O-CG1 3.36Å; F127-I131 PolarHBondContact O-N 3.36Å; W128-I131 HydrophobicContact CE3-CD1 4.48Å; W128-I131 PolarHBondContact O-N 2.9Å; I131-T133 VanDerWaalsContact C-N 3.33Å; I131-T133 PolarHBondContact O-N 3.04Å; I131-A134 PolarHBondContact O-N 3.32Å; I131-L135 HydrophobicContact CG2-CD1 3.69Å; I131-L135 HydrophobicContact CG2-CG 4.29Å; I131-L135 WeakPolarHBondContact O-CB 3.49Å; I131-L135 VanDerWaalsContact O-CG 3.31Å; I131-L135 WeakPolarHBondContact O-CG 3.44Å; I131-L135 PolarHBondContact O-N 3.44Å
132	L	82.9	Confident	68.5	Low	112 Å²	112	118.9 Å²	118.9	59%	0.586	61%	0.611	S	S	*	*	H	α-helix	trans	-64.3	-37.5	-179.8	-79	163.2	0	0	0	112.4	W128 S136	W128-L132 WeakPolarHBondContact O-CB 3.32Å; W128-L132 WeakPolarHBondContact O-CG 3.28Å; W128-L132 PolarHBondContact O-N 2.92Å; L132-S136 WeakPolarHBondContact O-CB 3.37Å; L132-S136 PolarHBondContact O-N 3.12Å; L132-S136 PolarHBondContact O-OG 2.99Å; L132-S136 VanDerWaalsContact O-OG 3.12Å
133	T	78.7	Confident	69	Low	67 Å²	67	122 Å²	122	41%	0.411	62%	0.624	S	S	.	*	H	α-helix	trans	-73.4	-31	176	48.8	0	0	0	0	112.9	L129 L130 I131 S136 R137	L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 WeakPolarHBondContact O-CG2 3.48Å; L129-T133 PolarHBondContact O-N 3.5Å; L129-T133 PolarHBondContact O-OG1 2.9Å; L130-T133 WeakPolarHBondContact CA-OG1 3.31Å; L130-T133 PolarHBondContact O-OG1 3.25Å; L130-T133 VanDerWaalsContact O-OG1 3.06Å; I131-T133 VanDerWaalsContact C-N 3.33Å; I131-T133 PolarHBondContact O-N 3.04Å; T133-S136 PolarHBondContact O-OG 3.44Å; T133-R137 WeakPolarHBondContact O-CG 3.45Å; T133-R137 PolarHBondContact O-N 3.43Å
134	A	76.5	Confident	69.6	Low	56 Å²	56	119.5 Å²	119.5	46%	0.463	62%	0.622	S	S	.	*	H	α-helix	trans	-69.2	-43.9	171.7	0	0	0	0	0	111.7	L130 I131 R137 W138	L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 2.91Å; I131-A134 PolarHBondContact O-N 3.32Å; A134-R137 PolarHBondContact O-N 2.96Å; A134-W138 PolarHBondContact O-N 3.23Å
135	L	76.3	Confident	69.7	Low	99 Å²	99	122.5 Å²	122.5	52%	0.518	64%	0.635	S	S	.	*	H	α-helix	trans	-68.4	-35.1	179	-71.4	171.3	0	0	0	112.8	I131 R137 W138	I131-L135 HydrophobicContact CG2-CD1 3.69Å; I131-L135 HydrophobicContact CG2-CG 4.29Å; I131-L135 WeakPolarHBondContact O-CB 3.49Å; I131-L135 VanDerWaalsContact O-CG 3.31Å; I131-L135 WeakPolarHBondContact O-CG 3.44Å; I131-L135 PolarHBondContact O-N 3.44Å; L135-R137 PolarHBondContact O-N 3.4Å; L135-W138 PolarHBondContact O-N 2.71Å
136	S	74.5	Confident	69.8	Low	93 Å²	93	125.4 Å²	125.4	65%	0.65	65%	0.645	S	S	*	*	H	α-helix	trans	-74.6	-14.6	177.2	65.4	0	0	0	0	114	L132 T133	L132-S136 WeakPolarHBondContact O-CB 3.37Å; L132-S136 PolarHBondContact O-N 3.12Å; L132-S136 PolarHBondContact O-OG 2.99Å; L132-S136 VanDerWaalsContact O-OG 3.12Å; T133-S136 PolarHBondContact O-OG 3.44Å
137	R	65.8	Low	69.7	Low	214 Å²	214	127.1 Å²	127.1	81%	0.808	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-3.7	174.2	-72.7	-173.7	177.4	-175.5	1.7	113.6	T133 A134 L135 P139	T133-R137 WeakPolarHBondContact O-CG 3.45Å; T133-R137 PolarHBondContact O-N 3.43Å; A134-R137 PolarHBondContact O-N 2.96Å; L135-R137 PolarHBondContact O-N 3.4Å; R137-P139 VanDerWaalsContact O-CD 3.28Å; R137-P139 WeakPolarHBondContact O-CD 3.42Å
138	W	59.5	Low	69.2	Low	200 Å²	200	127.1 Å²	127.1	76%	0.758	66%	0.661	S	S	*	*	S	Bend	trans	-68.4	116.1	162.6	-88.3	6.9	0	0	0	107.7	A134 L135 L140	A134-W138 PolarHBondContact O-N 3.23Å; L135-W138 PolarHBondContact O-N 2.71Å; W138-L140 PolarHBondContact O-N 2.68Å
139	P	55.7	Low	68.6	Low	113 Å²	113	124.9 Å²	124.9	73%	0.734	67%	0.665	S	S	*	*			trans	-59.9	128.8	167.9	28	-28.9	0	0	0	105.2	R137 G141	R137-P139 VanDerWaalsContact O-CD 3.28Å; R137-P139 WeakPolarHBondContact O-CD 3.42Å; P139-G141 PolarHBondContact O-N 3.17Å
140	L	57.2	Low	67.7	Low	186 Å²	186	126.4 Å²	126.4	97%	0.974	67%	0.674	S	S	*	*			trans	-60.8	76.6	155.1	-77.8	159.2	0	0	0	106.1	W138 M142	W138-L140 PolarHBondContact O-N 2.68Å; L140-M142 PolarHBondContact O-N 3.5Å
141	G	49.4	Very low	66.7	Low	61 Å²	61	127.1 Å²	127.1	63%	0.629	68%	0.678	S	S	*	*			trans	-97.7	77.7	178.3	0	0	0	0	0	107.8	P139	P139-G141 PolarHBondContact O-N 3.17Å
142	M	42.6	Very low	65.4	Low	268 Å²	268	133.5 Å²	133.5	100%	1.32	71%	0.714	S	S	*	*			trans	171.3	0	136.6	-97.7	174.6	164.5	0	0	110.1	L140	L140-M142 PolarHBondContact O-N 3.5Å

Retrieved 142 of 142 residues in 42.4 ms (Link to these results)

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