G4VBQ2_SCHMA Loading...

Smp_201450

AlphaFold DB , UniProt , Accession G4VBQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 aa.

						>G4VBQ2_SCHMA|G4VBQ2
MKAENVTKESTLYTKLKFGVMYFTISPYNKNGLNHYAVILAIYKPKYSSQDARTVCCNYEAVHEIDFQNIKNSTTLFSYHSLVRTQGHTGRRLINDNPRSRVNMDN
					

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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	33.8	Very low	51.8	Low	250 Å²	250	131.7 Å²	131.7	100%	1.232	70%	0.695	S	S	*	*				0	114.9	0	-77.8	165.1	88.2	0	0	108
2	K	31.6	Very low	54	Low	209 Å²	209	130.2 Å²	130.2	91%	0.909	69%	0.686	S	S	*	*			trans	-90.7	114	175.4	-151.8	176	-174.2	-177.4	0	105.8	E4	K2-E4 PolarHBondContact O-N 3.29Å
3	A	35.7	Very low	56.2	Low	89 Å²	89	133.1 Å²	133.1	74%	0.736	68%	0.684	S	S	*	*			trans	-67.1	103.4	175.9	0	0	0	0	0	107.6	N5	A3-N5 VanDerWaalsContact C-N 3.27Å; A3-N5 PolarHBondContact O-N 3.07Å
4	E	41.8	Very low	57.5	Low	175 Å²	175	128.1 Å²	128.1	82%	0.818	66%	0.663	S	S	*	*			trans	-61.7	99.1	159.8	-75.5	178.6	162.5	0	0	105.7	K2 V6	K2-E4 PolarHBondContact O-N 3.29Å; E4-V6 PolarHBondContact O-N 3.12Å
5	N	44	Very low	58.9	Low	127 Å²	127	131.3 Å²	131.3	68%	0.679	67%	0.67	S	S	*	*			trans	-58.7	100.2	163.2	-91	-37.2	0	0	0	105.3	A3 T7	A3-N5 VanDerWaalsContact C-N 3.27Å; A3-N5 PolarHBondContact O-N 3.07Å; N5-T7 PolarHBondContact O-N 2.85Å; N5-T7 PolarHBondContact O-OG1 3.35Å
6	V	45.9	Very low	60.1	Low	106 Å²	106	126.3 Å²	126.3	64%	0.642	64%	0.644	S	S	*	*			trans	-70.1	85.9	171.5	-175.8	0	0	0	0	105.3	E4 K8	E4-V6 PolarHBondContact O-N 3.12Å; V6-K8 HydrophobicContact CG1-CG 3.78Å; V6-K8 PolarHBondContact O-N 2.82Å
7	T	55.4	Low	61.1	Low	75 Å²	75	131.7 Å²	131.7	46%	0.46	66%	0.663	S	S	.	*			trans	-71.2	78.8	-179.7	-36	0	0	0	0	107.4	N5 E9 P27	N5-T7 PolarHBondContact O-N 2.85Å; N5-T7 PolarHBondContact O-OG1 3.35Å; T7-E9 PolarHBondContact O-N 3.01Å; T7-P27 HydrophobicContact CG2-CB 3.42Å; T7-P27 VanDerWaalsContact CG2-CB 3.42Å; T7-P27 HydrophobicContact CG2-CG 3.41Å; T7-P27 VanDerWaalsContact CG2-CG 3.41Å; T7-P27 WeakPolarHBondContact CG2-O 3.47Å
8	K	63.6	Low	62.1	Low	159 Å²	159	131.5 Å²	131.5	69%	0.691	66%	0.657	S	S	*	*			trans	-68.5	99.8	-176.5	-66.6	-174.7	-177.6	179.6	0	108.8	V6 S10	V6-K8 HydrophobicContact CG1-CG 3.78Å; V6-K8 PolarHBondContact O-N 2.82Å; K8-S10 PolarHBondContact O-N 3.25Å
9	E	71.5	Confident	63	Low	117 Å²	117	124.9 Å²	124.9	55%	0.547	63%	0.626	S	S	.	*			trans	-52.9	134.4	166.7	-175.4	179	133.8	0	0	109.5	T7 T11 T24	T7-E9 PolarHBondContact O-N 3.01Å; E9-T11 PolarHBondContact OE1-OG1 3.01Å; E9-T24 VanDerWaalsContact CD-CG2 3.45Å; E9-T24 HydrophobicContact CG-CG2 3.6Å; E9-T24 WeakPolarHBondContact OE1-CG2 3.26Å
10	S	72	Confident	63.7	Low	67 Å²	67	120.2 Å²	120.2	47%	0.469	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	115.7	176.6	-65.3	0	0	0	0	108.8	K8 I25	K8-S10 PolarHBondContact O-N 3.25Å; S10-I25 PolarHBondContact N-O 2.77Å; S10-I25 PolarHBondContact O-N 2.87Å
11	T	74.4	Confident	64.7	Low	75 Å²	75	116 Å²	116	46%	0.46	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	122.1	175.7	-66.2	0	0	0	0	109.7	E9 F23 T24	E9-T11 PolarHBondContact OE1-OG1 3.01Å; T11-F23 CarbonylContact C-O 3.6Å; T11-F23 VanDerWaalsContact CA-O 3.29Å; T11-F23 WeakPolarHBondContact CA-O 3.24Å; T11-T24 PolarHBondContact OG1-OG1 3.21Å
12	L	78.5	Confident	67	Low	113 Å²	113	108.7 Å²	108.7	59%	0.592	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.4	173.9	-65.8	164.3	0	0	0	108	F23	L12-F23 HydrophobicContact CB-CB 4.35Å; L12-F23 PolarHBondContact N-O 2.72Å; L12-F23 PolarHBondContact O-N 3.27Å
13	Y	82	Confident	69.5	Low	168 Å²	168	102.1 Å²	102.1	66%	0.659	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.5	170.4	78	-86.3	0	0	0	110.4	V20 M21 Y22	Y13-V20 HydrophobicContact CD2-CG1 4.08Å; Y13-M21 CarbonylContact C-O 3.47Å; Y13-M21 WeakPolarHBondContact CA-O 3.36Å; Y13-M21 WeakPolarHBondContact CB-O 3.15Å; Y13-Y22 HydrophobicContact CG-CE1 4.34Å
14	T	74.6	Confident	71.6	Confident	63 Å²	63	99 Å²	99	39%	0.387	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.6	173.5	-173.1	0	0	0	0	110.1	L16 M21 F23	T14-L16 HydrophobicContact CG2-CD2 4.45Å; T14-M21 HydrophobicContact CG2-CB 3.86Å; T14-M21 HydrophobicContact CG2-CG 4.31Å; T14-M21 HydrophobicContact CG2-SD 4.11Å; T14-M21 PolarHBondContact N-O 2.76Å; T14-M21 PolarHBondContact O-N 3.03Å; T14-F23 HydrophobicContact CG2-CE2 4.21Å
15	K	78.4	Confident	73.5	Confident	176 Å²	176	93.1 Å²	93.1	77%	0.765	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.1	178.9	-171	175.5	-178.4	178.9	0	108.9
16	L	77.7	Confident	75.3	Confident	51 Å²	51	88.4 Å²	88.4	27%	0.267	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	160.6	172.3	-56.5	176.3	0	0	0	109.5	T14 F18 G19 M21	T14-L16 HydrophobicContact CG2-CD2 4.45Å; L16-F18 HydrophobicContact CB-CE1 4.39Å; L16-F18 HydrophobicContact CB-CE2 4.31Å; L16-F18 HydrophobicContact CB-CZ 4.24Å; L16-F18 HydrophobicContact CD1-CE2 3.82Å; L16-F18 HydrophobicContact CD1-CZ 3.84Å; L16-F18 PolarHBondContact O-N 3.25Å; L16-F18 VanDerWaalsContact O-N 3.1Å; L16-G19 CarbonylContact C-O 3.55Å; L16-G19 WeakPolarHBondContact CA-O 3.11Å; L16-G19 WeakPolarHBondContact CB-O 3.31Å; L16-G19 PolarHBondContact N-O 3.1Å; L16-G19 PolarHBondContact O-N 3.31Å; L16-M21 HydrophobicContact CD1-CB 4.17Å; L16-M21 HydrophobicContact CD1-CE 3.8Å; L16-M21 HydrophobicContact CD1-SD 4.45Å
17	K	77.8	Confident	76.9	Confident	219 Å²	219	85 Å²	85	95%	0.952	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.7	176.9	-173	175.4	179.6	179.5	0	112.9
18	F	78.2	Confident	78.1	Confident	128 Å²	128	85 Å²	85	56%	0.561	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	9.7	-174.1	52.7	-96.9	0	0	0	113.7	L16 K44	L16-F18 HydrophobicContact CB-CE1 4.39Å; L16-F18 HydrophobicContact CB-CE2 4.31Å; L16-F18 HydrophobicContact CB-CZ 4.24Å; L16-F18 HydrophobicContact CD1-CE2 3.82Å; L16-F18 HydrophobicContact CD1-CZ 3.84Å; L16-F18 PolarHBondContact O-N 3.25Å; L16-F18 VanDerWaalsContact O-N 3.1Å; F18-K44 VanDerWaalsContact O-CG 3.31Å; F18-K44 WeakPolarHBondContact O-CG 3.47Å
19	G	79	Confident	78.9	Confident	6 Å²	6	81.6 Å²	81.6	6%	0.062	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-176.2	-178.2	0	0	0	0	0	114.3	L16 Y43	L16-G19 CarbonylContact C-O 3.55Å; L16-G19 WeakPolarHBondContact CA-O 3.11Å; L16-G19 WeakPolarHBondContact CB-O 3.31Å; L16-G19 PolarHBondContact N-O 3.1Å; L16-G19 PolarHBondContact O-N 3.31Å; G19-Y43 CarbonylContact C-O 3.52Å; G19-Y43 WeakPolarHBondContact CA-O 3.44Å
20	V	78.9	Confident	79.4	Confident	30 Å²	30	80.9 Å²	80.9	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.9	172.9	-175.2	0	0	0	0	108	Y13 Y22 I42 Y43	Y13-V20 HydrophobicContact CD2-CG1 4.08Å; V20-Y22 HydrophobicContact CB-CE2 4.01Å; V20-Y22 HydrophobicContact CG1-CD2 4.17Å; V20-Y22 HydrophobicContact CG1-CE1 4.31Å; V20-Y22 HydrophobicContact CG1-CE2 3.53Å; V20-I42 CarbonylContact O-C 3.55Å; V20-Y43 PolarHBondContact N-O 3.2Å; V20-Y43 PolarHBondContact O-N 3.18Å
21	M	84.2	Confident	80.2	Confident	32 Å²	32	85.1 Å²	85.1	16%	0.158	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.9	178.8	178	-177.1	-84.1	0	0	108.5	Y13 T14 L16 F23 L40 A41 I42	Y13-M21 CarbonylContact C-O 3.47Å; Y13-M21 WeakPolarHBondContact CA-O 3.36Å; Y13-M21 WeakPolarHBondContact CB-O 3.15Å; T14-M21 HydrophobicContact CG2-CB 3.86Å; T14-M21 HydrophobicContact CG2-CG 4.31Å; T14-M21 HydrophobicContact CG2-SD 4.11Å; T14-M21 PolarHBondContact N-O 2.76Å; T14-M21 PolarHBondContact O-N 3.03Å; L16-M21 HydrophobicContact CD1-CB 4.17Å; L16-M21 HydrophobicContact CD1-CE 3.8Å; L16-M21 HydrophobicContact CD1-SD 4.45Å; M21-F23 HydrophobicContact CG-CD2 4.12Å; M21-F23 HydrophobicContact CG-CE2 3.5Å; M21-F23 VanDerWaalsContact CG-CE2 3.5Å; M21-F23 HydrophobicContact CG-CZ 3.89Å; M21-F23 HydrophobicContact SD-CD2 4.39Å; M21-F23 HydrophobicContact SD-CE1 4.36Å; M21-F23 HydrophobicContact SD-CE2 3.26Å; M21-F23 WeakPolarHBondContact SD-CE2 3.45Å; M21-F23 HydrophobicContact SD-CZ 3.24Å; M21-F23 WeakPolarHBondContact SD-CZ 3.24Å; M21-L40 HydrophobicContact CE-CD1 4.38Å; M21-L40 HydrophobicContact CG-CD1 3.38Å; M21-L40 HydrophobicContact SD-CD1 3.9Å; M21-A41 CarbonylContact C-O 3.43Å; M21-A41 WeakPolarHBondContact CA-O 3.4Å; M21-I42 HydrophobicContact CE-CD1 3.64Å; M21-I42 HydrophobicContact CE-CG1 3.84Å; M21-I42 HydrophobicContact CG-CG1 4.22Å
22	Y	81.7	Confident	80.6	Confident	97 Å²	97	84.4 Å²	84.4	38%	0.38	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131	177.8	-62.4	-91.6	0	0	0	109.1	Y13 V20 L40 A41	Y13-Y22 HydrophobicContact CG-CE1 4.34Å; V20-Y22 HydrophobicContact CB-CE2 4.01Å; V20-Y22 HydrophobicContact CG1-CD2 4.17Å; V20-Y22 HydrophobicContact CG1-CE1 4.31Å; V20-Y22 HydrophobicContact CG1-CE2 3.53Å; Y22-L40 WeakPolarHBondContact O-CA 3.45Å; Y22-L40 WeakPolarHBondContact O-CD1 3.48Å; Y22-A41 PolarHBondContact N-O 3.48Å; Y22-A41 PolarHBondContact O-N 3.14Å
23	F	83.4	Confident	80.5	Confident	71 Å²	71	82.6 Å²	82.6	31%	0.311	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.9	173	-66.7	-91.5	0	0	0	107.9	T11 L12 T14 M21 I39 L40	T11-F23 CarbonylContact C-O 3.6Å; T11-F23 VanDerWaalsContact CA-O 3.29Å; T11-F23 WeakPolarHBondContact CA-O 3.24Å; L12-F23 HydrophobicContact CB-CB 4.35Å; L12-F23 PolarHBondContact N-O 2.72Å; L12-F23 PolarHBondContact O-N 3.27Å; T14-F23 HydrophobicContact CG2-CE2 4.21Å; M21-F23 HydrophobicContact CG-CD2 4.12Å; M21-F23 HydrophobicContact CG-CE2 3.5Å; M21-F23 VanDerWaalsContact CG-CE2 3.5Å; M21-F23 HydrophobicContact CG-CZ 3.89Å; M21-F23 HydrophobicContact SD-CD2 4.39Å; M21-F23 HydrophobicContact SD-CE1 4.36Å; M21-F23 HydrophobicContact SD-CE2 3.26Å; M21-F23 WeakPolarHBondContact SD-CE2 3.45Å; M21-F23 HydrophobicContact SD-CZ 3.24Å; M21-F23 WeakPolarHBondContact SD-CZ 3.24Å; F23-I39 WeakPolarHBondContact CA-O 3.07Å; F23-L40 HydrophobicContact CD1-CD1 3.67Å; F23-L40 HydrophobicContact CD2-CD1 4.3Å; F23-L40 HydrophobicContact CE1-CD1 3.41Å; F23-L40 VanDerWaalsContact CE1-CD1 3.41Å; F23-L40 HydrophobicContact CE1-CD2 4.29Å; F23-L40 HydrophobicContact CE1-CG 4.34Å; F23-L40 HydrophobicContact CE2-CD1 4.09Å; F23-L40 HydrophobicContact CG-CD1 4.12Å; F23-L40 HydrophobicContact CZ-CD1 3.64Å
24	T	80.8	Confident	80.5	Confident	24 Å²	24	79.4 Å²	79.4	15%	0.147	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.7	174.7	-64.7	0	0	0	0	108.5	E9 T11 V38 I39	E9-T24 VanDerWaalsContact CD-CG2 3.45Å; E9-T24 HydrophobicContact CG-CG2 3.6Å; E9-T24 WeakPolarHBondContact OE1-CG2 3.26Å; T11-T24 PolarHBondContact OG1-OG1 3.21Å; T24-V38 CarbonylContact O-C 3.54Å; T24-V38 WeakPolarHBondContact O-CA 3.48Å; T24-I39 PolarHBondContact N-O 2.75Å; T24-I39 PolarHBondContact O-N 2.58Å
25	I	82.2	Confident	80.6	Confident	52 Å²	52	77.3 Å²	77.3	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.2	175.8	-54.2	177.7	0	0	0	107.4	S10 Y36 A37 V38	S10-I25 PolarHBondContact N-O 2.77Å; S10-I25 PolarHBondContact O-N 2.87Å; I25-Y36 HydrophobicContact CG2-CD1 3.78Å; I25-Y36 HydrophobicContact CG2-CG 4.31Å; I25-A37 WeakPolarHBondContact CA-O 3.5Å; I25-V38 HydrophobicContact CG1-CG2 4.29Å
26	S	80.5	Confident	80.7	Confident	28 Å²	28	72.3 Å²	72.3	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.2	-179.3	-55.9	0	0	0	0	108.8	Y36 A37	S26-Y36 WeakPolarHBondContact O-CA 3.35Å; S26-A37 PolarHBondContact N-O 2.63Å; S26-A37 PolarHBondContact O-N 2.84Å
27	P	79.9	Confident	80.7	Confident	35 Å²	35	70.7 Å²	70.7	23%	0.227	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	150	172.1	4.3	5	0	0	0	110.2	T7 H35 Y36	T7-P27 HydrophobicContact CG2-CB 3.42Å; T7-P27 VanDerWaalsContact CG2-CB 3.42Å; T7-P27 HydrophobicContact CG2-CG 3.41Å; T7-P27 VanDerWaalsContact CG2-CG 3.41Å; T7-P27 WeakPolarHBondContact CG2-O 3.47Å; P27-H35 CarbonylContact C-O 3.49Å; P27-H35 WeakPolarHBondContact CA-O 3.46Å; P27-Y36 HydrophobicContact CB-CD1 3.63Å; P27-Y36 HydrophobicContact CB-CE1 3.56Å; P27-Y36 HydrophobicContact CB-CG 4.43Å; P27-Y36 HydrophobicContact CG-CD1 4Å; P27-Y36 HydrophobicContact CG-CE1 3.85Å
28	Y	81.6	Confident	80.9	Confident	74 Å²	74	61.7 Å²	61.7	29%	0.29	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.8	165.8	64.5	-83.8	0	0	0	110.1	K30 H35 A37 E64	Y28-K30 HydrophobicContact CD2-CB 4.28Å; Y28-K30 HydrophobicContact CE2-CB 4.13Å; Y28-K30 HydrophobicContact CE2-CD 4.41Å; Y28-H35 HydrophobicContact CD1-CB 4.15Å; Y28-H35 HydrophobicContact CD2-CB 4.05Å; Y28-H35 HydrophobicContact CE1-CB 3.68Å; Y28-H35 HydrophobicContact CE2-CB 3.55Å; Y28-H35 HydrophobicContact CG-CB 4.33Å; Y28-H35 PolarHBondContact N-O 2.77Å; Y28-H35 PolarHBondContact O-N 3.15Å; Y28-H35 VanDerWaalsContact O-O 3.05Å; Y28-A37 HydrophobicContact CD1-CB 4.4Å; Y28-A37 HydrophobicContact CE1-CB 4.03Å; Y28-E64 WeakPolarHBondContact OH-CG 3.43Å; Y28-E64 PolarHBondContact OH-OE1 3.44Å
29	N	80.4	Confident	81.2	Confident	87 Å²	87	58.9 Å²	58.9	47%	0.465	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130	176.4	-169.1	-76.4	0	0	0	109.8	G32 L33 N34	N29-G32 PolarHBondContact ND2-O 3.11Å; N29-G32 VanDerWaalsContact OD1-CA 3.24Å; N29-G32 WeakPolarHBondContact OD1-CA 3.16Å; N29-G32 PolarHBondContact OD1-N 2.88Å; N29-L33 WeakPolarHBondContact CA-O 3.47Å; N29-N34 PolarHBondContact ND2-OD1 3.48Å
30	K	81.9	Confident	81.4	Confident	103 Å²	103	61.2 Å²	61.2	45%	0.448	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.8	174.8	-174.6	178.8	177.8	-176.7	0	107.9	Y28 G32 L33	Y28-K30 HydrophobicContact CD2-CB 4.28Å; Y28-K30 HydrophobicContact CE2-CB 4.13Å; Y28-K30 HydrophobicContact CE2-CD 4.41Å; K30-G32 VanDerWaalsContact C-N 3.25Å; K30-G32 PolarHBondContact O-N 3.11Å; K30-L33 PolarHBondContact N-O 3.44Å; K30-L33 PolarHBondContact O-N 2.87Å
31	N	87	Confident	81.5	Confident	155 Å²	155	62 Å²	62	83%	0.829	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.8	-178.7	-56	-18.1	0	0	0	113.9	L33	N31-L33 PolarHBondContact O-N 3.05Å
32	G	82.9	Confident	81.3	Confident	60 Å²	60	64.4 Å²	64.4	62%	0.619	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-4.8	-179.4	0	0	0	0	0	114.4	N29 K30	N29-G32 PolarHBondContact ND2-O 3.11Å; N29-G32 VanDerWaalsContact OD1-CA 3.24Å; N29-G32 WeakPolarHBondContact OD1-CA 3.16Å; N29-G32 PolarHBondContact OD1-N 2.88Å; K30-G32 VanDerWaalsContact C-N 3.25Å; K30-G32 PolarHBondContact O-N 3.11Å
33	L	77.1	Confident	81.3	Confident	76 Å²	76	66.7 Å²	66.7	40%	0.398	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.6	177.5	-62.9	178.8	0	0	0	111	N29 K30 N31 H35	N29-L33 WeakPolarHBondContact CA-O 3.47Å; K30-L33 PolarHBondContact N-O 3.44Å; K30-L33 PolarHBondContact O-N 2.87Å; N31-L33 PolarHBondContact O-N 3.05Å; L33-H35 PolarHBondContact O-N 3.43Å; L33-H35 PolarHBondContact O-ND1 2.73Å
34	N	81.2	Confident	81.1	Confident	100 Å²	100	70.1 Å²	70.1	54%	0.535	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.1	176	-64.4	-29.7	0	0	0	109.5	N29	N29-N34 PolarHBondContact ND2-OD1 3.48Å
35	H	77.1	Confident	80.3	Confident	19 Å²	19	72.3 Å²	72.3	9%	0.088	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	164.2	174.2	-61.1	85.3	0	0	0	109.1	P27 Y28 L33 E64	P27-H35 CarbonylContact C-O 3.49Å; P27-H35 WeakPolarHBondContact CA-O 3.46Å; Y28-H35 HydrophobicContact CD1-CB 4.15Å; Y28-H35 HydrophobicContact CD2-CB 4.05Å; Y28-H35 HydrophobicContact CE1-CB 3.68Å; Y28-H35 HydrophobicContact CE2-CB 3.55Å; Y28-H35 HydrophobicContact CG-CB 4.33Å; Y28-H35 PolarHBondContact N-O 2.77Å; Y28-H35 PolarHBondContact O-N 3.15Å; Y28-H35 VanDerWaalsContact O-O 3.05Å; L33-H35 PolarHBondContact O-N 3.43Å; L33-H35 PolarHBondContact O-ND1 2.73Å; H35-E64 IonicContact CD2-OE1 3.59Å; H35-E64 IonicContact CG-OE1 3.98Å
36	Y	80.4	Confident	79.4	Confident	71 Å²	71	76.9 Å²	76.9	28%	0.278	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.1	171.6	-57	-108.5	0	0	0	109.2	I25 S26 P27 I65 F67	I25-Y36 HydrophobicContact CG2-CD1 3.78Å; I25-Y36 HydrophobicContact CG2-CG 4.31Å; S26-Y36 WeakPolarHBondContact O-CA 3.35Å; P27-Y36 HydrophobicContact CB-CD1 3.63Å; P27-Y36 HydrophobicContact CB-CE1 3.56Å; P27-Y36 HydrophobicContact CB-CG 4.43Å; P27-Y36 HydrophobicContact CG-CD1 4Å; P27-Y36 HydrophobicContact CG-CE1 3.85Å; Y36-I65 PolarHBondContact O-N 3.12Å; Y36-F67 VanDerWaalsContact CB-CE2 3.49Å; Y36-F67 HydrophobicContact CD2-CB 4.27Å; Y36-F67 HydrophobicContact CD2-CD1 4.2Å; Y36-F67 AromaticContact CD2-CD2 3.12Å; Y36-F67 HydrophobicContact CD2-CD2 3.12Å; Y36-F67 HydrophobicContact CD2-CE1 4.39Å; Y36-F67 AromaticContact CD2-CE2 3.38Å; Y36-F67 HydrophobicContact CD2-CE2 3.38Å; Y36-F67 AromaticContact CD2-CG 3.59Å; Y36-F67 HydrophobicContact CD2-CG 3.59Å; Y36-F67 HydrophobicContact CD2-CZ 4.01Å; Y36-F67 HydrophobicContact CE2-CB 4.21Å; Y36-F67 HydrophobicContact CE2-CD1 4.17Å; Y36-F67 AromaticContact CE2-CD2 3.82Å; Y36-F67 HydrophobicContact CE2-CD2 3.82Å; Y36-F67 HydrophobicContact CE2-CE2 4.26Å; Y36-F67 AromaticContact CE2-CG 3.77Å; Y36-F67 HydrophobicContact CE2-CG 3.77Å; Y36-F67 AromaticContact CG-CD2 3.85Å; Y36-F67 HydrophobicContact CG-CD2 3.85Å; Y36-F67 AromaticContact CG-CE2 3.6Å; Y36-F67 HydrophobicContact CG-CE2 3.6Å; Y36-F67 HydrophobicContact CG-CZ 4.08Å
37	A	79.1	Confident	78.3	Confident	17 Å²	17	85.5 Å²	85.5	14%	0.14	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.7	167.4	0	0	0	0	0	108.1	I25 S26 Y28	I25-A37 WeakPolarHBondContact CA-O 3.5Å; S26-A37 PolarHBondContact N-O 2.63Å; S26-A37 PolarHBondContact O-N 2.84Å; Y28-A37 HydrophobicContact CD1-CB 4.4Å; Y28-A37 HydrophobicContact CE1-CB 4.03Å
38	V	81.6	Confident	76.9	Confident	31 Å²	31	89.2 Å²	89.2	19%	0.188	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.1	171.6	-175.4	0	0	0	0	108.4	T24 I25 H63 I65	T24-V38 CarbonylContact O-C 3.54Å; T24-V38 WeakPolarHBondContact O-CA 3.48Å; I25-V38 HydrophobicContact CG1-CG2 4.29Å; V38-H63 PolarHBondContact N-O 3.22Å; V38-I65 HydrophobicContact CG2-CD1 3.91Å
39	I	83.6	Confident	75.6	Confident	68 Å²	68	90.1 Å²	90.1	35%	0.349	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.5	177.1	-58.6	172.1	0	0	0	108.2	F23 T24	F23-I39 WeakPolarHBondContact CA-O 3.07Å; T24-I39 PolarHBondContact N-O 2.75Å; T24-I39 PolarHBondContact O-N 2.58Å
40	L	83.6	Confident	74	Confident	56 Å²	56	95.5 Å²	95.5	29%	0.293	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.9	178.4	177.8	57.4	0	0	0	110.4	M21 Y22 F23	M21-L40 HydrophobicContact CE-CD1 4.38Å; M21-L40 HydrophobicContact CG-CD1 3.38Å; M21-L40 HydrophobicContact SD-CD1 3.9Å; Y22-L40 WeakPolarHBondContact O-CA 3.45Å; Y22-L40 WeakPolarHBondContact O-CD1 3.48Å; F23-L40 HydrophobicContact CD1-CD1 3.67Å; F23-L40 HydrophobicContact CD2-CD1 4.3Å; F23-L40 HydrophobicContact CE1-CD1 3.41Å; F23-L40 VanDerWaalsContact CE1-CD1 3.41Å; F23-L40 HydrophobicContact CE1-CD2 4.29Å; F23-L40 HydrophobicContact CE1-CG 4.34Å; F23-L40 HydrophobicContact CE2-CD1 4.09Å; F23-L40 HydrophobicContact CG-CD1 4.12Å; F23-L40 HydrophobicContact CZ-CD1 3.64Å
41	A	80.3	Confident	72.5	Confident	46 Å²	46	97.7 Å²	97.7	38%	0.38	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.7	174.6	0	0	0	0	0	110.9	M21 Y22	M21-A41 CarbonylContact C-O 3.43Å; M21-A41 WeakPolarHBondContact CA-O 3.4Å; Y22-A41 PolarHBondContact N-O 3.48Å; Y22-A41 PolarHBondContact O-N 3.14Å
42	I	80.8	Confident	70.5	Confident	82 Å²	82	93.9 Å²	93.9	42%	0.421	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.8	176.1	-57.2	174.6	0	0	0	109	V20 M21	V20-I42 CarbonylContact O-C 3.55Å; M21-I42 HydrophobicContact CE-CD1 3.64Å; M21-I42 HydrophobicContact CE-CG1 3.84Å; M21-I42 HydrophobicContact CG-CG1 4.22Å
43	Y	81.2	Confident	68.9	Low	146 Å²	146	102 Å²	102	57%	0.573	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	105.6	172.6	-177.6	-100.2	0	0	0	110.4	G19 V20 P45	G19-Y43 CarbonylContact C-O 3.52Å; G19-Y43 WeakPolarHBondContact CA-O 3.44Å; V20-Y43 PolarHBondContact N-O 3.2Å; V20-Y43 PolarHBondContact O-N 3.18Å; Y43-P45 HydrophobicContact CE1-CB 4.07Å; Y43-P45 WeakPolarHBondContact O-CD 3.45Å
44	K	80.1	Confident	67.4	Low	142 Å²	142	104.5 Å²	104.5	62%	0.617	54%	0.535	S	S	*	.			trans	-95.1	110.5	170.1	176.4	164	-177.6	-171.3	0	109	F18 K46	F18-K44 VanDerWaalsContact O-CG 3.31Å; F18-K44 WeakPolarHBondContact O-CG 3.47Å; K44-K46 PolarHBondContact O-N 3.21Å; K44-K46 VanDerWaalsContact O-N 3.11Å
45	P	64.3	Low	65.9	Low	70 Å²	70	105.2 Å²	105.2	46%	0.455	54%	0.543	S	S	.	.			trans	-63.1	118.8	171.2	25.2	-28.8	0	0	0	107.5	Y43 Y47	Y43-P45 HydrophobicContact CE1-CB 4.07Å; Y43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-Y47 PolarHBondContact O-N 3.24Å; P45-Y47 VanDerWaalsContact O-N 3.11Å
46	K	63.2	Low	64.5	Low	148 Å²	148	108.9 Å²	108.9	64%	0.643	57%	0.569	S	S	*	*			trans	-64.7	114.3	173.6	-72.7	-172.3	175.4	-171.5	0	107.1	K44 S48	K44-K46 PolarHBondContact O-N 3.21Å; K44-K46 VanDerWaalsContact O-N 3.11Å; K46-S48 PolarHBondContact O-N 2.87Å
47	Y	57.8	Low	63	Low	210 Å²	210	109 Å²	109	82%	0.824	58%	0.58	S	S	*	*			trans	-54.4	126.6	160.9	-170.2	-101.8	0	0	0	106.2	P45 S49	P45-Y47 PolarHBondContact O-N 3.24Å; P45-Y47 VanDerWaalsContact O-N 3.11Å; Y47-S49 PolarHBondContact O-N 2.81Å
48	S	48.7	Very low	61.6	Low	112 Å²	112	113.8 Å²	113.8	78%	0.783	60%	0.603	S	S	*	*			trans	-67.6	73.4	-175.3	60.1	0	0	0	0	110.9	K46	K46-S48 PolarHBondContact O-N 2.87Å
49	S	54.4	Low	60.2	Low	93 Å²	93	120.4 Å²	120.4	65%	0.65	63%	0.626	S	S	*	*			trans	-97.2	101.2	156.4	58.3	0	0	0	0	106	Y47 D51	Y47-S49 PolarHBondContact O-N 2.81Å; S49-D51 VanDerWaalsContact C-N 3.28Å; S49-D51 PolarHBondContact O-N 2.91Å
50	Q	47.5	Very low	58.5	Low	200 Å²	200	124.9 Å²	124.9	94%	0.935	65%	0.645	S	S	*	*			trans	-20.8	73.6	165.3	-162.8	174.7	21.9	0	0	114.8
51	D	49.6	Very low	57	Low	150 Å²	150	124.3 Å²	124.3	80%	0.802	65%	0.648	S	S	*	*			trans	-155.9	143.5	162.2	-139.9	-10.9	0	0	0	114.1	S49	S49-D51 VanDerWaalsContact C-N 3.28Å; S49-D51 PolarHBondContact O-N 2.91Å
52	A	46.9	Very low	55.5	Low	75 Å²	75	126.5 Å²	126.5	62%	0.62	66%	0.657	S	S	*	*			trans	-77.9	161.9	-153.2	0	0	0	0	0	114.6
53	R	48.5	Very low	54.2	Low	231 Å²	231	127.2 Å²	127.2	87%	0.872	66%	0.658	S	S	*	*			trans	80.9	99.3	160.8	-61.7	-178.8	-176.7	-173.6	1.7	116.8
54	T	46.5	Very low	52.9	Low	128 Å²	128	125 Å²	125	79%	0.785	65%	0.653	S	S	*	*			trans	-50.9	116.9	170.2	-37	0	0	0	0	113
55	V	48.7	Very low	51.6	Low	115 Å²	115	120.7 Å²	120.7	70%	0.697	64%	0.636	S	S	*	*			trans	-130.7	102.6	151.9	-174.6	0	0	0	0	105.8	C57	V55-C57 PolarHBondContact O-N 2.9Å; V55-C57 VanDerWaalsContact O-N 3.12Å
56	C	48.2	Very low	51	Low	95 Å²	95	120.3 Å²	120.3	64%	0.642	63%	0.63	S	S	*	*			trans	-67.5	103.8	165.6	-167.5	0	0	0	0	105.7	N58	C56-N58 PolarHBondContact O-N 2.87Å; C56-N58 PolarHBondContact SG-OD1 3.35Å
57	C	49.2	Very low	50.7	Low	75 Å²	75	116.6 Å²	116.6	51%	0.507	61%	0.614	S	S	.	*			trans	-73.4	79.2	169.3	-66.1	0	0	0	0	107.4	V55 Y59	V55-C57 PolarHBondContact O-N 2.9Å; V55-C57 VanDerWaalsContact O-N 3.12Å; C57-Y59 VanDerWaalsContact C-N 3.27Å; C57-Y59 HydrophobicContact CB-CD2 3.99Å; C57-Y59 HydrophobicContact CB-CE2 3.67Å; C57-Y59 PolarHBondContact O-N 3.4Å
58	N	49.1	Very low	50.6	Low	117 Å²	117	112.6 Å²	112.6	63%	0.626	60%	0.603	S	S	*	*			trans	-64.2	97.8	158.8	-69.3	-14.2	0	0	0	105.6	C56 E60	C56-N58 PolarHBondContact O-N 2.87Å; C56-N58 PolarHBondContact SG-OD1 3.35Å; N58-E60 PolarHBondContact O-N 3.42Å
59	Y	52.2	Low	50.7	Low	170 Å²	170	112.6 Å²	112.6	67%	0.667	60%	0.595	S	S	*	*			trans	-75.6	85.7	166	-76.6	-84.5	0	0	0	106.8	C57 A61	C57-Y59 VanDerWaalsContact C-N 3.27Å; C57-Y59 HydrophobicContact CB-CD2 3.99Å; C57-Y59 HydrophobicContact CB-CE2 3.67Å; C57-Y59 PolarHBondContact O-N 3.4Å; Y59-A61 PolarHBondContact O-N 3.26Å
60	E	48.4	Very low	50.2	Low	161 Å²	161	110.4 Å²	110.4	75%	0.752	58%	0.575	S	S	*	*			trans	-74	72	165.3	-72.9	-172.5	175.2	0	0	108.8	N58 V62	N58-E60 PolarHBondContact O-N 3.42Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.22Å
61	A	51.9	Low	50.5	Low	44 Å²	44	110.4 Å²	110.4	36%	0.364	57%	0.572	S	S	.	*			trans	-86.4	83.4	163.6	0	0	0	0	0	107.3	Y59 H63	Y59-A61 PolarHBondContact O-N 3.26Å; A61-H63 PolarHBondContact O-N 2.82Å; A61-H63 VanDerWaalsContact O-N 3.1Å
62	V	47.6	Very low	50.3	Low	93 Å²	93	108.3 Å²	108.3	56%	0.564	56%	0.561	S	S	*	*			trans	-74.9	96.8	170.2	-177.4	0	0	0	0	107.1	E60	E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.22Å
63	H	55	Low	50.3	Low	96 Å²	96	108.6 Å²	108.6	44%	0.444	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.9	113.8	170	-73.7	-69.3	0	0	0	108.9	V38 A61 I65 Y79	V38-H63 PolarHBondContact N-O 3.22Å; A61-H63 PolarHBondContact O-N 2.82Å; A61-H63 VanDerWaalsContact O-N 3.1Å; H63-I65 PolarHBondContact O-N 2.91Å; H63-Y79 PolarHBondContact CD2-OH 2.92Å
64	E	53.2	Low	50.2	Low	100 Å²	100	102.5 Å²	102.5	47%	0.467	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	105.1	168.4	173.8	165.4	-147.9	0	0	107.5	Y28 H35	Y28-E64 WeakPolarHBondContact OH-CG 3.43Å; Y28-E64 PolarHBondContact OH-OE1 3.44Å; H35-E64 IonicContact CD2-OE1 3.59Å; H35-E64 IonicContact CG-OE1 3.98Å
65	I	51.8	Low	50.2	Low	51 Å²	51	99.9 Å²	99.9	26%	0.262	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.4	174.7	-58.2	179.6	0	0	0	106.9	Y36 V38 H63 F67 I70	Y36-I65 PolarHBondContact O-N 3.12Å; V38-I65 HydrophobicContact CG2-CD1 3.91Å; H63-I65 PolarHBondContact O-N 2.91Å; I65-F67 HydrophobicContact CB-CE2 4.12Å; I65-F67 HydrophobicContact CG2-CD2 4.24Å; I65-F67 HydrophobicContact CG2-CE2 3.99Å; I65-F67 WeakPolarHBondContact O-CD2 3.29Å; I65-F67 PolarHBondContact O-N 3.37Å; I65-I70 HydrophobicContact CG2-CD1 3.98Å
66	D	53.3	Low	50	Low	62 Å²	62	99.2 Å²	99.2	33%	0.332	52%	0.523	S	S	.	.			trans	-80.8	114.3	171.4	-174	-4.6	0	0	0	109.8	Q68	D66-Q68 VanDerWaalsContact C-N 3.25Å; D66-Q68 PolarHBondContact O-N 3.32Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.38Å; D66-Q68 WeakPolarHBondContact OD1-CG 3.41Å; D66-Q68 PolarHBondContact OD1-N 2.78Å
67	F	55.9	Low	49.6	Very low	71 Å²	71	102.6 Å²	102.6	31%	0.311	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-76.3	-8.1	-176.7	-81.8	-110.2	0	0	0	113.4	Y36 I65 N69 I70	Y36-F67 VanDerWaalsContact CB-CE2 3.49Å; Y36-F67 HydrophobicContact CD2-CB 4.27Å; Y36-F67 HydrophobicContact CD2-CD1 4.2Å; Y36-F67 AromaticContact CD2-CD2 3.12Å; Y36-F67 HydrophobicContact CD2-CD2 3.12Å; Y36-F67 HydrophobicContact CD2-CE1 4.39Å; Y36-F67 AromaticContact CD2-CE2 3.38Å; Y36-F67 HydrophobicContact CD2-CE2 3.38Å; Y36-F67 AromaticContact CD2-CG 3.59Å; Y36-F67 HydrophobicContact CD2-CG 3.59Å; Y36-F67 HydrophobicContact CD2-CZ 4.01Å; Y36-F67 HydrophobicContact CE2-CB 4.21Å; Y36-F67 HydrophobicContact CE2-CD1 4.17Å; Y36-F67 AromaticContact CE2-CD2 3.82Å; Y36-F67 HydrophobicContact CE2-CD2 3.82Å; Y36-F67 HydrophobicContact CE2-CE2 4.26Å; Y36-F67 AromaticContact CE2-CG 3.77Å; Y36-F67 HydrophobicContact CE2-CG 3.77Å; Y36-F67 AromaticContact CG-CD2 3.85Å; Y36-F67 HydrophobicContact CG-CD2 3.85Å; Y36-F67 AromaticContact CG-CE2 3.6Å; Y36-F67 HydrophobicContact CG-CE2 3.6Å; Y36-F67 HydrophobicContact CG-CZ 4.08Å; I65-F67 HydrophobicContact CB-CE2 4.12Å; I65-F67 HydrophobicContact CG2-CD2 4.24Å; I65-F67 HydrophobicContact CG2-CE2 3.99Å; I65-F67 WeakPolarHBondContact O-CD2 3.29Å; I65-F67 PolarHBondContact O-N 3.37Å; F67-N69 PolarHBondContact O-N 2.89Å; F67-I70 HydrophobicContact CB-CD1 4.24Å; F67-I70 HydrophobicContact CD1-CB 4.22Å; F67-I70 HydrophobicContact CD1-CD1 3.22Å; F67-I70 HydrophobicContact CD1-CG1 4.21Å; F67-I70 HydrophobicContact CD1-CG2 4.34Å; F67-I70 HydrophobicContact CD2-CD1 3.91Å; F67-I70 HydrophobicContact CE1-CD1 3.33Å; F67-I70 HydrophobicContact CE2-CD1 3.97Å; F67-I70 HydrophobicContact CG-CD1 3.55Å; F67-I70 HydrophobicContact CG-CG1 4.47Å; F67-I70 HydrophobicContact CZ-CD1 3.73Å; F67-I70 PolarHBondContact O-N 3.08Å
68	Q	56.1	Low	49.1	Very low	126 Å²	126	102 Å²	102	59%	0.589	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-51.1	-33.5	171.5	-75.2	-104.9	8.3	0	0	111.6	D66	D66-Q68 VanDerWaalsContact C-N 3.25Å; D66-Q68 PolarHBondContact O-N 3.32Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.38Å; D66-Q68 WeakPolarHBondContact OD1-CG 3.41Å; D66-Q68 PolarHBondContact OD1-N 2.78Å
69	N	49.6	Very low	49	Very low	112 Å²	112	100.7 Å²	100.7	60%	0.599	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-88.9	-5.3	-177.9	-70.5	-30.1	0	0	0	115.1	F67 K71 N72	F67-N69 PolarHBondContact O-N 2.89Å; N69-K71 PolarHBondContact O-N 2.99Å; N69-N72 PolarHBondContact O-N 2.9Å
70	I	45.3	Very low	48.5	Very low	46 Å²	46	99.5 Å²	99.5	24%	0.236	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-77.8	-2.1	-175.1	-73.4	174.6	0	0	0	113.3	I65 F67 N72 S73 L76	I65-I70 HydrophobicContact CG2-CD1 3.98Å; F67-I70 HydrophobicContact CB-CD1 4.24Å; F67-I70 HydrophobicContact CD1-CB 4.22Å; F67-I70 HydrophobicContact CD1-CD1 3.22Å; F67-I70 HydrophobicContact CD1-CG1 4.21Å; F67-I70 HydrophobicContact CD1-CG2 4.34Å; F67-I70 HydrophobicContact CD2-CD1 3.91Å; F67-I70 HydrophobicContact CE1-CD1 3.33Å; F67-I70 HydrophobicContact CE2-CD1 3.97Å; F67-I70 HydrophobicContact CG-CD1 3.55Å; F67-I70 HydrophobicContact CG-CG1 4.47Å; F67-I70 HydrophobicContact CZ-CD1 3.73Å; F67-I70 PolarHBondContact O-N 3.08Å; I70-N72 PolarHBondContact O-N 2.76Å; I70-N72 VanDerWaalsContact O-N 3.08Å; I70-S73 PolarHBondContact O-N 2.79Å; I70-L76 HydrophobicContact CD1-CD1 4.31Å
71	K	53	Low	48.1	Very low	200 Å²	200	95 Å²	95	87%	0.87	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-52.6	-28.9	161.9	-78.3	-175	178.2	178.4	0	111.8	N69	N69-K71 PolarHBondContact O-N 2.99Å
72	N	45.8	Very low	47.4	Very low	106 Å²	106	98 Å²	98	57%	0.567	51%	0.506	S	S	*	.	S	Bend	trans	-102.6	83.6	171	-63.2	-9.2	0	0	0	108.8	N69 I70 T74 T75	N69-N72 PolarHBondContact O-N 2.9Å; I70-N72 PolarHBondContact O-N 2.76Å; I70-N72 VanDerWaalsContact O-N 3.08Å; N72-T74 PolarHBondContact O-N 2.98Å; N72-T75 PolarHBondContact O-N 3.03Å; N72-T75 PolarHBondContact O-OG1 3.2Å
73	S	46.9	Very low	47.3	Very low	82 Å²	82	97.9 Å²	97.9	57%	0.573	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-14.2	172.4	54.7	0	0	0	0	113.8	I70 T75 L76 F77	I70-S73 PolarHBondContact O-N 2.79Å; S73-T75 VanDerWaalsContact C-N 3.27Å; S73-T75 PolarHBondContact O-N 3.08Å; S73-L76 PolarHBondContact O-N 2.85Å; S73-F77 PolarHBondContact O-N 2.77Å
74	T	45.4	Very low	46.4	Very low	103 Å²	103	101.4 Å²	101.4	63%	0.632	52%	0.515	S	S	*	.	H	α-helix	trans	-58.9	-30.9	167.9	8.8	0	0	0	0	113.7	N72 F77 S78	N72-T74 PolarHBondContact O-N 2.98Å; T74-F77 PolarHBondContact O-N 3.47Å; T74-S78 PolarHBondContact O-N 3.4Å
75	T	47.5	Very low	45.7	Very low	72 Å²	72	101.2 Å²	101.2	44%	0.442	52%	0.521	S	S	.	.	H	α-helix	trans	-71.7	-31.7	178	48.2	0	0	0	0	112.6	N72 S73 S78 Y79	N72-T75 PolarHBondContact O-N 3.03Å; N72-T75 PolarHBondContact O-OG1 3.2Å; S73-T75 VanDerWaalsContact C-N 3.27Å; S73-T75 PolarHBondContact O-N 3.08Å; T75-S78 CarbonylContact O-C 3.6Å; T75-S78 WeakPolarHBondContact O-CB 3.08Å; T75-S78 PolarHBondContact O-N 3.1Å; T75-Y79 PolarHBondContact O-N 2.86Å
76	L	45.1	Very low	45.2	Very low	101 Å²	101	107.6 Å²	107.6	53%	0.529	55%	0.55	S	S	.	.	H	α-helix	trans	-69.5	-37.5	175.3	-145.3	151.8	0	0	0	110.8	I70 S73 Y79 H80	I70-L76 HydrophobicContact CD1-CD1 4.31Å; S73-L76 PolarHBondContact O-N 2.85Å; L76-Y79 WeakPolarHBondContact O-CB 3.39Å; L76-Y79 PolarHBondContact O-N 2.86Å; L76-H80 PolarHBondContact O-N 2.99Å
77	F	39.7	Very low	44.5	Very low	166 Å²	166	107.5 Å²	107.5	73%	0.728	56%	0.563	S	S	*	*	H	α-helix	trans	-68.5	-35	168.8	-87.5	-79.1	0	0	0	113	S73 T74 Y79 H80 S81	S73-F77 PolarHBondContact O-N 2.77Å; T74-F77 PolarHBondContact O-N 3.47Å; F77-Y79 VanDerWaalsContact C-N 3.26Å; F77-Y79 PolarHBondContact O-N 3.01Å; F77-H80 VanDerWaalsContact O-CB 3.24Å; F77-H80 WeakPolarHBondContact O-CB 3.33Å; F77-H80 PolarHBondContact O-N 3.23Å; F77-H80 VanDerWaalsContact O-N 3.15Å; F77-S81 PolarHBondContact O-N 2.94Å
78	S	37.9	Very low	43.6	Very low	63 Å²	63	110.8 Å²	110.8	44%	0.441	58%	0.579	S	S	.	*	H	α-helix	trans	-67	-27.5	171.1	-175.6	0	0	0	0	112.4	T74 T75 H80 S81 L82	T74-S78 PolarHBondContact O-N 3.4Å; T75-S78 CarbonylContact O-C 3.6Å; T75-S78 WeakPolarHBondContact O-CB 3.08Å; T75-S78 PolarHBondContact O-N 3.1Å; S78-H80 VanDerWaalsContact C-N 3.32Å; S78-S81 VanDerWaalsContact C-OG 3.26Å; S78-S81 WeakPolarHBondContact CA-OG 3.37Å; S78-S81 WeakPolarHBondContact O-CB 3.38Å; S78-S81 PolarHBondContact O-N 3.28Å; S78-S81 VanDerWaalsContact O-N 3.14Å; S78-S81 PolarHBondContact O-OG 3.38Å; S78-L82 PolarHBondContact O-N 2.92Å
79	Y	46.6	Very low	42.6	Very low	90 Å²	90	111.2 Å²	111.2	35%	0.353	59%	0.59	S	S	.	*	H	α-helix	trans	-70.8	-32	172.5	-168.7	-104.2	0	0	0	111.2	H63 T75 L76 F77 S81 L82 V83	H63-Y79 PolarHBondContact CD2-OH 2.92Å; T75-Y79 PolarHBondContact O-N 2.86Å; L76-Y79 WeakPolarHBondContact O-CB 3.39Å; L76-Y79 PolarHBondContact O-N 2.86Å; F77-Y79 VanDerWaalsContact C-N 3.26Å; F77-Y79 PolarHBondContact O-N 3.01Å; Y79-S81 PolarHBondContact O-N 3.07Å; Y79-L82 HydrophobicContact CD2-CB 4.19Å; Y79-L82 HydrophobicContact CD2-CD1 4.32Å; Y79-L82 HydrophobicContact CE2-CB 4.49Å; Y79-L82 CarbonylContact O-C 3.52Å; Y79-L82 WeakPolarHBondContact O-CA 2.96Å; Y79-L82 PolarHBondContact O-N 3.28Å; Y79-V83 HydrophobicContact CD1-CG2 3.65Å; Y79-V83 HydrophobicContact CE1-CG2 3.28Å; Y79-V83 HydrophobicContact CG-CG2 4.48Å; Y79-V83 WeakPolarHBondContact O-CG2 3.11Å; Y79-V83 PolarHBondContact O-N 3.47Å
80	H	42.5	Very low	41.7	Very low	144 Å²	144	109 Å²	109	67%	0.667	59%	0.594	S	S	*	*	H	α-helix	trans	-58.8	-27.4	169.2	-157	-57.6	0	0	0	112.1	L76 F77 S78 R84	L76-H80 PolarHBondContact O-N 2.99Å; F77-H80 VanDerWaalsContact O-CB 3.24Å; F77-H80 WeakPolarHBondContact O-CB 3.33Å; F77-H80 PolarHBondContact O-N 3.23Å; F77-H80 VanDerWaalsContact O-N 3.15Å; S78-H80 VanDerWaalsContact C-N 3.32Å; H80-R84 PolarHBondContact O-N 3.45Å
81	S	39.6	Very low	41.4	Very low	67 Å²	67	118 Å²	118	47%	0.469	63%	0.625	S	S	.	*	H	α-helix	trans	-77.6	-30.4	168.5	33.9	0	0	0	0	114.4	F77 S78 Y79 R84	F77-S81 PolarHBondContact O-N 2.94Å; S78-S81 VanDerWaalsContact C-OG 3.26Å; S78-S81 WeakPolarHBondContact CA-OG 3.37Å; S78-S81 WeakPolarHBondContact O-CB 3.38Å; S78-S81 PolarHBondContact O-N 3.28Å; S78-S81 VanDerWaalsContact O-N 3.14Å; S78-S81 PolarHBondContact O-OG 3.38Å; Y79-S81 PolarHBondContact O-N 3.07Å; S81-R84 WeakPolarHBondContact O-CB 3.34Å; S81-R84 PolarHBondContact O-N 3.02Å
82	L	38.6	Very low	40.5	Very low	106 Å²	106	118.1 Å²	118.1	56%	0.555	62%	0.62	S	S	*	*	H	α-helix	trans	-76.7	-30.8	173.6	-77.5	168.7	0	0	0	113	S78 Y79 R84 T85	S78-L82 PolarHBondContact O-N 2.92Å; Y79-L82 HydrophobicContact CD2-CB 4.19Å; Y79-L82 HydrophobicContact CD2-CD1 4.32Å; Y79-L82 HydrophobicContact CE2-CB 4.49Å; Y79-L82 CarbonylContact O-C 3.52Å; Y79-L82 WeakPolarHBondContact O-CA 2.96Å; Y79-L82 PolarHBondContact O-N 3.28Å; L82-R84 PolarHBondContact O-N 3.48Å; L82-T85 WeakPolarHBondContact O-CA 3.38Å; L82-T85 PolarHBondContact O-N 3.32Å; L82-T85 PolarHBondContact O-OG1 2.83Å
83	V	43.6	Very low	40.2	Very low	92 Å²	92	121.7 Å²	121.7	56%	0.558	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-68.2	-15.9	168.1	-179.8	0	0	0	0	110.9	Y79 T85	Y79-V83 HydrophobicContact CD1-CG2 3.65Å; Y79-V83 HydrophobicContact CE1-CG2 3.28Å; Y79-V83 HydrophobicContact CG-CG2 4.48Å; Y79-V83 WeakPolarHBondContact O-CG2 3.11Å; Y79-V83 PolarHBondContact O-N 3.47Å; V83-T85 PolarHBondContact O-N 2.89Å
84	R	37.1	Very low	39.3	Very low	170 Å²	170	123 Å²	123	64%	0.642	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-71.9	-9.5	166.5	-137.4	175.7	-177	-97.1	3.8	113.1	H80 S81 L82	H80-R84 PolarHBondContact O-N 3.45Å; S81-R84 WeakPolarHBondContact O-CB 3.34Å; S81-R84 PolarHBondContact O-N 3.02Å; L82-R84 PolarHBondContact O-N 3.48Å
85	T	38.9	Very low	38.8	Very low	96 Å²	96	124.8 Å²	124.8	59%	0.589	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-106.3	42.1	-177.5	47.3	0	0	0	0	115.2	L82 V83	L82-T85 WeakPolarHBondContact O-CA 3.38Å; L82-T85 PolarHBondContact O-N 3.32Å; L82-T85 PolarHBondContact O-OG1 2.83Å; V83-T85 PolarHBondContact O-N 2.89Å
86	Q	40.8	Very low	38.3	Very low	185 Å²	185	127.8 Å²	127.8	86%	0.864	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-144.1	23.1	148.2	-144.4	169.4	13.5	0	0	113.7
87	G	38.3	Very low	37.7	Very low	59 Å²	59	129 Å²	129	61%	0.608	66%	0.663	S	S	*	*	S	Bend	trans	-110.2	0.9	173.1	0	0	0	0	0	114.4	T89	G87-T89 VanDerWaalsContact C-N 3.34Å; G87-T89 PolarHBondContact O-N 2.83Å
88	H	37.5	Very low	38	Very low	140 Å²	140	126.4 Å²	126.4	65%	0.648	66%	0.664	S	S	*	*			trans	-87.8	11.2	-175.5	-92	-61.3	0	0	0	115.4	G90	H88-G90 PolarHBondContact O-N 2.81Å
89	T	35.9	Very low	38.4	Very low	135 Å²	135	133.5 Å²	133.5	83%	0.828	68%	0.68	S	S	*	*			trans	-79.7	39.5	155.1	54.2	0	0	0	0	110.9	G87 R91	G87-T89 VanDerWaalsContact C-N 3.34Å; G87-T89 PolarHBondContact O-N 2.83Å; T89-R91 PolarHBondContact O-N 2.82Å
90	G	30.9	Very low	38.4	Very low	65 Å²	65	133.6 Å²	133.6	67%	0.67	70%	0.695	S	S	*	*			trans	-72.2	50.8	164.2	0	0	0	0	0	111.5	H88 R92	H88-G90 PolarHBondContact O-N 2.81Å; G90-R92 PolarHBondContact O-N 2.59Å
91	R	36.9	Very low	38.9	Very low	236 Å²	236	138.8 Å²	138.8	89%	0.891	71%	0.708	S	S	*	*			trans	-66.5	80.4	159.2	-91.2	-178.1	71	173.7	1.4	107.1	T89 L93	T89-R91 PolarHBondContact O-N 2.82Å; R91-L93 PolarHBondContact O-N 3.01Å
92	R	35	Very low	39	Very low	202 Å²	202	141.2 Å²	141.2	76%	0.762	72%	0.72	S	S	*	*			trans	44.2	66.9	147.5	-158	178.8	-176.2	164.8	3	113.9	G90 I94	G90-R92 PolarHBondContact O-N 2.59Å; R92-I94 HydrophobicContact CG-CB 4.08Å; R92-I94 HydrophobicContact CG-CD1 3.66Å; R92-I94 HydrophobicContact CG-CG1 3.62Å; R92-I94 PolarHBondContact O-N 3.49Å
93	L	38.7	Very low	39.2	Very low	181 Å²	181	141 Å²	141	95%	0.948	72%	0.72	S	S	*	*			trans	-79.3	58.5	153.1	-71.1	172.2	0	0	0	108.5	R91 N95	R91-L93 PolarHBondContact O-N 3.01Å; L93-N95 VanDerWaalsContact C-N 3.28Å; L93-N95 PolarHBondContact O-N 2.8Å
94	I	29.7	Very low	39.2	Very low	109 Å²	109	145.6 Å²	145.6	56%	0.559	74%	0.737	S	S	*	*			trans	-77.2	94.8	157.3	-60.8	178.9	0	0	0	104.2	R92	R92-I94 HydrophobicContact CG-CB 4.08Å; R92-I94 HydrophobicContact CG-CD1 3.66Å; R92-I94 HydrophobicContact CG-CG1 3.62Å; R92-I94 PolarHBondContact O-N 3.49Å
95	N	34.8	Very low	39.3	Very low	141 Å²	141	144 Å²	144	75%	0.754	74%	0.741	S	S	*	*			trans	-134.5	72.6	140.2	-162.6	2.1	0	0	0	106.5	L93 N97	L93-N95 VanDerWaalsContact C-N 3.28Å; L93-N95 PolarHBondContact O-N 2.8Å; N95-N97 VanDerWaalsContact C-N 3.33Å; N95-N97 PolarHBondContact O-N 3.02Å
96	D	37	Very low	39.6	Very low	135 Å²	135	150.3 Å²	150.3	72%	0.722	77%	0.772	S	S	*	*			trans	-54.2	104.2	156.8	-77.8	-47.9	0	0	0	107.4	P98	D96-P98 WeakPolarHBondContact O-CD 3.24Å
97	N	32.9	Very low	39.6	Very low	126 Å²	126	148.6 Å²	148.6	67%	0.674	77%	0.767	S	S	*	*			trans	-25.7	100.5	158.9	177.1	26.9	0	0	0	111.9	N95 R99	N95-N97 VanDerWaalsContact C-N 3.33Å; N95-N97 PolarHBondContact O-N 3.02Å; N97-R99 PolarHBondContact O-N 3.43Å
98	P	45.3	Very low	39.6	Very low	113 Å²	113	153.3 Å²	153.3	73%	0.734	78%	0.775	S	S	*	*			trans	-73.5	93.8	163.3	29.5	-24.8	0	0	0	105.5	D96 S100	D96-P98 WeakPolarHBondContact O-CD 3.24Å; P98-S100 PolarHBondContact O-N 2.94Å
99	R	45.7	Very low	39.7	Very low	211 Å²	211	154.1 Å²	154.1	80%	0.796	78%	0.782	S	S	*	*			trans	-17.3	117.4	165.7	-66.4	174.6	178.9	178.4	-1.5	111.3	N97 R101	N97-R99 PolarHBondContact O-N 3.43Å; R99-R101 PolarHBondContact O-N 2.96Å
100	S	47.1	Very low	40	Very low	93 Å²	93	155.2 Å²	155.2	65%	0.65	78%	0.78	S	S	*	*			trans	-13.9	103.4	150.9	61.7	0	0	0	0	112	P98 V102	P98-S100 PolarHBondContact O-N 2.94Å; S100-V102 PolarHBondContact O-N 3.01Å
101	R	52.8	Low	40.5	Very low	253 Å²	253	160.8 Å²	160.8	96%	0.955	79%	0.786	S	S	*	*			trans	-70.3	77.5	156.5	-79.3	-176.5	162	177.2	-5.5	106.4	R99 N103	R99-R101 PolarHBondContact O-N 2.96Å; R101-N103 PolarHBondContact O-N 2.96Å
102	V	42.8	Very low	40.8	Very low	117 Å²	117	155.8 Å²	155.8	71%	0.709	78%	0.779	S	S	*	*			trans	-71	112.4	159.7	174.3	0	0	0	0	105.5	S100	S100-V102 PolarHBondContact O-N 3.01Å
103	N	41.4	Very low	41.2	Very low	103 Å²	103	152.5 Å²	152.5	55%	0.551	78%	0.781	S	S	*	*			trans	64.2	121.9	144.3	-149.8	21	0	0	0	120	R101 D105	R101-N103 PolarHBondContact O-N 2.96Å; N103-D105 PolarHBondContact ND2-OD2 3.26Å; N103-D105 VanDerWaalsContact OD1-CG 3.29Å; N103-D105 PolarHBondContact OD1-N 3.03Å; N103-D105 PolarHBondContact OD1-OD2 3.33Å; N103-D105 VanDerWaalsContact OD1-OD2 3.12Å
104	M	43.3	Very low	41.4	Very low	187 Å²	187	150.3 Å²	150.3	92%	0.921	77%	0.768	S	S	*	*				-145.3	100.8	128.1	-94.7	-170	-77.4	0	0	107.2	N106	M104-N106 PolarHBondContact O-N 3.05Å
105	D	40.2	Very low	42.4	Very low	137 Å²	137	153.8 Å²	153.8	73%	0.733	79%	0.785	S	S	*	*			trans	-51.4	114.3	158.9	-59.5	-61.8	0	0	0	109.7	N103	N103-D105 PolarHBondContact ND2-OD2 3.26Å; N103-D105 VanDerWaalsContact OD1-CG 3.29Å; N103-D105 PolarHBondContact OD1-N 3.03Å; N103-D105 PolarHBondContact OD1-OD2 3.33Å; N103-D105 VanDerWaalsContact OD1-OD2 3.12Å
106	N	45.2	Very low	43	Very low	229 Å²	229	154.9 Å²	154.9	100%	1.225	79%	0.788	S	S	*	*			trans	-170.9	0	145.6	-164.8	81.8	0	0	0	109.2	M104	M104-N106 PolarHBondContact O-N 3.05Å

Retrieved 106 of 106 residues in 51.9 ms (Link to these results)

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