A0A5K4F9Q5_SCHMA Loading...

Venom protein

AlphaFold DB , UniProt , Accession A0A5K4F9Q5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 97 aa.

						>A0A5K4F9Q5_SCHMA|A0A5K4F9Q5
MRNIHCQYNNMKLFGTSCLVIVCLIQILFPVCKSIQCDGKGCCDIDVTKSNLTKTLCCDKDGCDGYNGNPKLSFQNYLQKGRMINRLKDALQKLGGR
					

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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	33.3	Very low	35	Very low	245 Å²	245	147.7 Å²	147.7	100%	1.207	71%	0.706	S	S	*	*				0	125.7	0	-70.8	166.2	179.4	0	0	107.2
2	R	29.8	Very low	36.4	Very low	240 Å²	240	145.4 Å²	145.4	91%	0.906	69%	0.691	S	S	*	*			trans	-78	122.2	-168.2	-67.9	179.1	-173.9	176.6	1.6	109.6	I4	R2-I4 PolarHBondContact O-N 2.96Å
3	N	28.1	Very low	37.6	Very low	166 Å²	166	137.7 Å²	137.7	89%	0.888	66%	0.656	S	S	*	*			trans	-59.1	102.7	170	-99.3	-26.8	0	0	0	109.3	H5	N3-H5 PolarHBondContact O-N 3.39Å
4	I	30.9	Very low	38.3	Very low	103 Å²	103	139.2 Å²	139.2	53%	0.528	66%	0.659	S	S	.	*			trans	-79	103.3	169.4	-63.2	172.6	0	0	0	106.6	R2 C6	R2-I4 PolarHBondContact O-N 2.96Å; I4-C6 PolarHBondContact O-N 3.05Å
5	H	29.7	Very low	39.1	Very low	148 Å²	148	132.2 Å²	132.2	69%	0.685	64%	0.638	S	S	*	*			trans	-67.6	94.5	175.6	-147.6	-148.1	0	0	0	108.1	N3 Q7	N3-H5 PolarHBondContact O-N 3.39Å; H5-Q7 PolarHBondContact O-N 3.06Å
6	C	30.8	Very low	39.7	Very low	69 Å²	69	129.2 Å²	129.2	47%	0.466	63%	0.631	S	S	.	*			trans	-70.4	70.7	177.2	-69	0	0	0	0	111.5	I4 N10	I4-C6 PolarHBondContact O-N 3.05Å; C6-N10 PolarHBondContact O-ND2 3.39Å
7	Q	27.9	Very low	40.7	Very low	139 Å²	139	123.8 Å²	123.8	65%	0.65	61%	0.609	S	S	*	*			trans	-104	59.4	175.4	-74.1	-150.9	-22.4	0	0	112.7	H5	H5-Q7 PolarHBondContact O-N 3.06Å
8	Y	36	Very low	41.7	Very low	184 Å²	184	117.1 Å²	117.1	72%	0.722	58%	0.577	S	S	*	*	S	Bend	trans	-145.7	122.6	169.8	-71.7	-80.6	0	0	0	110.3	N10	Y8-N10 PolarHBondContact O-N 3.26Å; Y8-N10 PolarHBondContact O-OD1 2.77Å
9	N	40.8	Very low	42.6	Very low	150 Å²	150	112.1 Å²	112.1	80%	0.802	55%	0.552	S	S	*	*			trans	4.4	71.1	172.2	-97.2	-9.2	0	0	0	116.4	M11	N9-M11 PolarHBondContact O-N 3.38Å
10	N	47.9	Very low	43.5	Very low	61 Å²	61	107.2 Å²	107.2	33%	0.326	53%	0.529	S	S	.	.			trans	-76.5	115.8	-173	-75.4	-48.7	0	0	0	110.6	C6 Y8 K12	C6-N10 PolarHBondContact O-ND2 3.39Å; Y8-N10 PolarHBondContact O-N 3.26Å; Y8-N10 PolarHBondContact O-OD1 2.77Å; N10-K12 PolarHBondContact O-N 2.92Å
11	M	49.6	Very low	44.4	Very low	120 Å²	120	105.1 Å²	105.1	59%	0.591	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	102.5	158.2	-73.3	-178.2	171.3	0	0	107.6	N9 L13 L56	N9-M11 PolarHBondContact O-N 3.38Å; M11-L13 PolarHBondContact O-N 2.88Å; M11-L56 HydrophobicContact CB-CD1 4.26Å
12	K	52.1	Low	45.8	Very low	120 Å²	120	93.4 Å²	93.4	52%	0.522	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	112.3	175.4	-67.1	-175.8	176.5	-169.5	0	109.3	N10 F14 D59	N10-K12 PolarHBondContact O-N 2.92Å; K12-F14 HydrophobicContact CB-CD2 4.41Å; K12-F14 HydrophobicContact CB-CE2 3.97Å; K12-F14 HydrophobicContact CD-CE2 4.44Å; K12-F14 HydrophobicContact CD-CZ 4.29Å; K12-F14 PolarHBondContact O-N 3.48Å; K12-D59 IonicContact NZ-OD2 3.73Å
13	L	51.4	Low	47.2	Very low	45 Å²	45	82.1 Å²	82.1	24%	0.236	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.9	164.1	-86.6	112.9	0	0	0	109.3	M11 C18 I21 L56 C57	M11-L13 PolarHBondContact O-N 2.88Å; L13-C18 HydrophobicContact CB-CB 3.89Å; L13-C18 VanDerWaalsContact CB-SG 3.54Å; L13-I21 HydrophobicContact CD2-CB 4.35Å; L13-I21 HydrophobicContact CD2-CD1 3.55Å; L13-I21 HydrophobicContact CD2-CG2 3.99Å; L13-L56 HydrophobicContact CD1-CD1 3.69Å; L13-L56 HydrophobicContact CD1-CD2 3.35Å; L13-L56 HydrophobicContact CD1-CG 3.51Å; L13-C57 PolarHBondContact N-O 2.73Å
14	F	47.8	Very low	48.9	Very low	159 Å²	159	76.6 Å²	76.6	70%	0.697	39%	0.39	S	S	*	.			trans	-80.3	125	171.2	-74	-86	0	0	0	109.9	K12 D59	K12-F14 HydrophobicContact CB-CD2 4.41Å; K12-F14 HydrophobicContact CB-CE2 3.97Å; K12-F14 HydrophobicContact CD-CE2 4.44Å; K12-F14 HydrophobicContact CD-CZ 4.29Å; K12-F14 PolarHBondContact O-N 3.48Å; F14-D59 HydrophobicContact CE1-CB 4.49Å
15	G	50.4	Low	50.4	Low	34 Å²	34	73.8 Å²	73.8	35%	0.351	38%	0.375	S	S	.	.	S	Bend	trans	128.7	152.9	168.5	0	0	0	0	0	113.2	S17 C18	G15-S17 PolarHBondContact O-N 3.17Å; G15-C18 PolarHBondContact O-N 2.84Å
16	T	49.2	Very low	52	Low	84 Å²	84	69.1 Å²	69.1	52%	0.515	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	7	179.4	36.6	0	0	0	0	114	R86	T16-R86 PolarHBondContact O-NH1 3.27Å; T16-R86 PolarHBondContact OG1-NH1 3.4Å; T16-R86 PolarHBondContact OG1-NH2 3.39Å; T16-R86 VanDerWaalsContact OG1-NH2 3.13Å
17	S	56.8	Low	53.5	Low	38 Å²	38	70.6 Å²	70.6	27%	0.266	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	0.2	-178.5	-51	0	0	0	0	112.4	G15 V20 I21 R86	G15-S17 PolarHBondContact O-N 3.17Å; S17-V20 WeakPolarHBondContact O-CB 3.28Å; S17-V20 PolarHBondContact O-N 2.85Å; S17-V20 VanDerWaalsContact O-N 3.13Å; S17-I21 WeakPolarHBondContact O-CG1 3.49Å; S17-I21 PolarHBondContact O-N 3.24Å; S17-R86 PolarHBondContact OG-NH1 3.48Å
18	C	58.4	Low	55.1	Low	3 Å²	3	69.8 Å²	69.8	2%	0.02	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-40.6	-171.6	174.1	0	0	0	0	113.3	L13 G15 V20 I21 V22 C58	L13-C18 HydrophobicContact CB-CB 3.89Å; L13-C18 VanDerWaalsContact CB-SG 3.54Å; G15-C18 PolarHBondContact O-N 2.84Å; C18-V20 PolarHBondContact O-N 3.34Å; C18-I21 PolarHBondContact O-N 3.14Å; C18-V22 WeakPolarHBondContact O-CB 3.34Å; C18-V22 VanDerWaalsContact O-CG2 3.26Å; C18-V22 WeakPolarHBondContact O-CG2 3.33Å; C18-V22 PolarHBondContact O-N 3.4Å; C18-C58 HydrophobicContact CB-CB 3.47Å; C18-C58 VanDerWaalsContact CB-CB 3.47Å; C18-C58 WeakPolarHBondContact CB-SG 3Å; C18-C58 WeakPolarHBondContact SG-CA 3.23Å; C18-C58 WeakPolarHBondContact SG-CB 3.17Å; C18-C58 CovalentContact SG-SG 2Å; C18-C58 PolarHBondContact SG-SG 2.76Å
19	L	59	Low	56.3	Low	22 Å²	22	67 Å²	67	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-33.8	173.2	-167.9	86.3	0	0	0	111.6	V22 C23 I35 G62 Y66	L19-V22 PolarHBondContact O-N 2.8Å; L19-C23 VanDerWaalsContact O-CB 3.29Å; L19-C23 WeakPolarHBondContact O-CB 3.41Å; L19-C23 PolarHBondContact O-N 3.4Å; L19-C23 PolarHBondContact O-SG 2.85Å; L19-I35 HydrophobicContact CD1-CG2 4.15Å; L19-G62 VanDerWaalsContact CB-O 3.28Å; L19-G62 WeakPolarHBondContact CB-O 3.33Å; L19-G62 VanDerWaalsContact CD2-O 3.27Å; L19-G62 WeakPolarHBondContact CD2-O 2.92Å; L19-Y66 HydrophobicContact CD1-CD2 4.16Å; L19-Y66 HydrophobicContact CD1-CG 4.41Å; L19-Y66 HydrophobicContact CD2-CD2 4.04Å; L19-Y66 HydrophobicContact CD2-CG 4.48Å
20	V	59.9	Low	57.2	Low	13 Å²	13	65.5 Å²	65.5	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-72.4	-42.2	-179	-175	0	0	0	0	110.1	S17 C18 V22 C23 L24 Y77	S17-V20 WeakPolarHBondContact O-CB 3.28Å; S17-V20 PolarHBondContact O-N 2.85Å; S17-V20 VanDerWaalsContact O-N 3.13Å; C18-V20 PolarHBondContact O-N 3.34Å; V20-V22 VanDerWaalsContact C-N 3.33Å; V20-C23 PolarHBondContact O-N 3.19Å; V20-L24 HydrophobicContact CG1-CD1 4.03Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.23Å; V20-L24 PolarHBondContact O-N 3.33Å; V20-Y77 HydrophobicContact CB-CD1 4.31Å; V20-Y77 HydrophobicContact CB-CE1 3.98Å; V20-Y77 HydrophobicContact CG1-CD1 3.74Å; V20-Y77 HydrophobicContact CG1-CE1 3.47Å; V20-Y77 VanDerWaalsContact CG1-CE1 3.47Å; V20-Y77 HydrophobicContact CG2-CD1 3.59Å; V20-Y77 HydrophobicContact CG2-CD2 3.54Å; V20-Y77 HydrophobicContact CG2-CE1 3.26Å; V20-Y77 HydrophobicContact CG2-CE2 3.22Å; V20-Y77 HydrophobicContact CG2-CG 3.72Å
21	I	63	Low	57.8	Low	64 Å²	64	64.8 Å²	64.8	33%	0.328	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-43.5	174.2	-66.9	166.4	0	0	0	109.2	L13 S17 C18 L24 I25	L13-I21 HydrophobicContact CD2-CB 4.35Å; L13-I21 HydrophobicContact CD2-CD1 3.55Å; L13-I21 HydrophobicContact CD2-CG2 3.99Å; S17-I21 WeakPolarHBondContact O-CG1 3.49Å; S17-I21 PolarHBondContact O-N 3.24Å; C18-I21 PolarHBondContact O-N 3.14Å; I21-L24 PolarHBondContact O-N 2.98Å; I21-I25 HydrophobicContact CG2-CD1 3.7Å; I21-I25 HydrophobicContact CG2-CG1 4.32Å; I21-I25 WeakPolarHBondContact O-CB 2.97Å; I21-I25 WeakPolarHBondContact O-CD1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.3Å; I21-I25 PolarHBondContact O-N 2.84Å
22	V	61.3	Low	58.3	Low	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-47	174.1	166.7	0	0	0	0	111.5	C18 L19 V20 I25 Q26 I35 C43 L56	C18-V22 WeakPolarHBondContact O-CB 3.34Å; C18-V22 VanDerWaalsContact O-CG2 3.26Å; C18-V22 WeakPolarHBondContact O-CG2 3.33Å; C18-V22 PolarHBondContact O-N 3.4Å; L19-V22 PolarHBondContact O-N 2.8Å; V20-V22 VanDerWaalsContact C-N 3.33Å; V22-I25 PolarHBondContact O-N 3.36Å; V22-Q26 WeakPolarHBondContact O-CB 3.31Å; V22-Q26 PolarHBondContact O-N 2.85Å; V22-I35 HydrophobicContact CG1-CD1 3.62Å; V22-I35 HydrophobicContact CG1-CG1 3.78Å; V22-C43 HydrophobicContact CB-CB 4.43Å; V22-C43 HydrophobicContact CG1-CB 3.53Å; V22-C43 HydrophobicContact CG2-CB 4.03Å; V22-L56 HydrophobicContact CG2-CD2 3.54Å
23	C	60.5	Low	58.8	Low	3 Å²	3	60.8 Å²	60.8	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-40.4	177.2	-73.3	0	0	0	0	111.8	L19 V20 Q26 I27 F74	L19-C23 VanDerWaalsContact O-CB 3.29Å; L19-C23 WeakPolarHBondContact O-CB 3.41Å; L19-C23 PolarHBondContact O-N 3.4Å; L19-C23 PolarHBondContact O-SG 2.85Å; V20-C23 PolarHBondContact O-N 3.19Å; C23-Q26 PolarHBondContact O-N 3.43Å; C23-I27 WeakPolarHBondContact O-CD1 3.38Å; C23-I27 WeakPolarHBondContact O-CG1 3.4Å; C23-I27 PolarHBondContact O-N 3.14Å; C23-F74 HydrophobicContact CB-CD2 4.48Å
24	L	63.2	Low	59.3	Low	50 Å²	50	60.8 Å²	60.8	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175.2	-78.6	170.6	0	0	0	111.2	V20 I21 Q26 I27 L28 F74 M83	V20-L24 HydrophobicContact CG1-CD1 4.03Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.23Å; V20-L24 PolarHBondContact O-N 3.33Å; I21-L24 PolarHBondContact O-N 2.98Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-I27 PolarHBondContact O-N 3.33Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.02Å; L24-F74 HydrophobicContact CD2-CE2 3.58Å; L24-F74 HydrophobicContact CD2-CZ 3.9Å; L24-F74 HydrophobicContact CG-CE2 4.04Å; L24-M83 HydrophobicContact CD1-CE 4.31Å
25	I	63.3	Low	60.1	Low	43 Å²	43	54.1 Å²	54.1	22%	0.221	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-48.8	173.1	-71	165.9	0	0	0	108.4	I21 V22 I27 L28 F29 V31 L56	I21-I25 HydrophobicContact CG2-CD1 3.7Å; I21-I25 HydrophobicContact CG2-CG1 4.32Å; I21-I25 WeakPolarHBondContact O-CB 2.97Å; I21-I25 WeakPolarHBondContact O-CD1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.3Å; I21-I25 PolarHBondContact O-N 2.84Å; V22-I25 PolarHBondContact O-N 3.36Å; I25-I27 VanDerWaalsContact C-N 3.28Å; I25-I27 PolarHBondContact O-N 3.42Å; I25-L28 PolarHBondContact O-N 2.92Å; I25-F29 CarbonylContact C-O 3.47Å; I25-F29 HydrophobicContact CG2-CB 4.48Å; I25-F29 CarbonylContact O-C 3.48Å; I25-F29 VanDerWaalsContact O-C 3.25Å; I25-F29 VanDerWaalsContact O-CA 3.27Å; I25-F29 WeakPolarHBondContact O-CA 3.43Å; I25-F29 WeakPolarHBondContact O-CB 3.31Å; I25-F29 PolarHBondContact O-N 2.87Å; I25-V31 HydrophobicContact CG2-CG2 3.8Å; I25-L56 HydrophobicContact CD1-CD2 4.46Å
26	Q	62.7	Low	60.7	Low	50 Å²	50	55.8 Å²	55.8	23%	0.234	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-34.7	178.7	-168.9	176.8	11.8	0	0	113.5	V22 C23 L24 F29 C32	V22-Q26 WeakPolarHBondContact O-CB 3.31Å; V22-Q26 PolarHBondContact O-N 2.85Å; C23-Q26 PolarHBondContact O-N 3.43Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; Q26-F29 WeakPolarHBondContact CA-O 3.34Å; Q26-C32 HydrophobicContact CB-CB 4.02Å; Q26-C32 HydrophobicContact CG-CB 4.08Å
27	I	61.7	Low	61.4	Low	100 Å²	100	53.6 Å²	53.6	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-73.1	-43.8	177.1	-68.5	162.5	0	0	0	111.3	C23 L24 I25 F74	C23-I27 WeakPolarHBondContact O-CD1 3.38Å; C23-I27 WeakPolarHBondContact O-CG1 3.4Å; C23-I27 PolarHBondContact O-N 3.14Å; L24-I27 PolarHBondContact O-N 3.33Å; I25-I27 VanDerWaalsContact C-N 3.28Å; I25-I27 PolarHBondContact O-N 3.42Å; I27-F74 HydrophobicContact CD1-CB 4.27Å; I27-F74 HydrophobicContact CD1-CD1 3.69Å; I27-F74 HydrophobicContact CD1-CD2 4.01Å; I27-F74 HydrophobicContact CD1-CE1 3.94Å; I27-F74 HydrophobicContact CD1-CE2 4.26Å; I27-F74 HydrophobicContact CD1-CG 3.72Å; I27-F74 HydrophobicContact CD1-CZ 4.23Å
28	L	62.2	Low	61.6	Low	122 Å²	122	58.1 Å²	58.1	64%	0.639	31%	0.306	S	S	*	.	H	α-helix	trans	-81.8	-32.3	-176.7	-68.6	171.2	0	0	0	112.7	L24 I25	L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.02Å; I25-L28 PolarHBondContact O-N 2.92Å
29	F	60	Low	61.5	Low	127 Å²	127	59.9 Å²	59.9	56%	0.557	32%	0.324	S	S	*	.			trans	-139.9	107.4	-175.2	-60	-79.9	0	0	0	108	I25 Q26 V31	I25-F29 CarbonylContact C-O 3.47Å; I25-F29 HydrophobicContact CG2-CB 4.48Å; I25-F29 CarbonylContact O-C 3.48Å; I25-F29 VanDerWaalsContact O-C 3.25Å; I25-F29 VanDerWaalsContact O-CA 3.27Å; I25-F29 WeakPolarHBondContact O-CA 3.43Å; I25-F29 WeakPolarHBondContact O-CB 3.31Å; I25-F29 PolarHBondContact O-N 2.87Å; Q26-F29 WeakPolarHBondContact CA-O 3.34Å; F29-V31 HydrophobicContact CB-CG1 4.13Å; F29-V31 HydrophobicContact CB-CG2 3.89Å; F29-V31 PolarHBondContact O-N 3.17Å
30	P	61.2	Low	61.5	Low	117 Å²	117	63.6 Å²	63.6	76%	0.76	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	40	177	31.6	-36	0	0	0	112.4
31	V	59.4	Low	61.7	Low	47 Å²	47	63 Å²	63	29%	0.285	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-22.4	176.5	-63.8	0	0	0	0	111.8	I25 F29 K33 I45 D46	I25-V31 HydrophobicContact CG2-CG2 3.8Å; F29-V31 HydrophobicContact CB-CG1 4.13Å; F29-V31 HydrophobicContact CB-CG2 3.89Å; F29-V31 PolarHBondContact O-N 3.17Å; V31-K33 PolarHBondContact O-N 2.88Å; V31-I45 HydrophobicContact CB-CG2 3.97Å; V31-I45 HydrophobicContact CG2-CG2 3.95Å; V31-I45 WeakPolarHBondContact O-CA 3.43Å; V31-D46 PolarHBondContact O-N 3.37Å
32	C	61.6	Low	61.9	Low	5 Å²	5	60.6 Å²	60.6	3%	0.034	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	102.3	175.8	-163.3	0	0	0	0	110.5	Q26 C43 D44	Q26-C32 HydrophobicContact CB-CB 4.02Å; Q26-C32 HydrophobicContact CG-CB 4.08Å; C32-C43 HydrophobicContact CB-CB 4.44Å; C32-C43 WeakPolarHBondContact CB-SG 3.33Å; C32-C43 WeakPolarHBondContact SG-CB 3.43Å; C32-C43 CovalentContact SG-SG 2.01Å; C32-C43 PolarHBondContact SG-SG 3.49Å; C32-D44 WeakPolarHBondContact CA-O 3.26Å
33	K	62	Low	62.2	Low	151 Å²	151	60.6 Å²	60.6	66%	0.657	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	-32.1	-178.2	-75	-178.1	174.6	166.9	0	113.1	V31 D44 D46	V31-K33 PolarHBondContact O-N 2.88Å; K33-D44 PolarHBondContact N-O 3.13Å; K33-D46 IonicContact NZ-OD2 2.72Å; K33-D46 PolarHBondContact NZ-OD2 3.3Å
34	S	61.8	Low	62.6	Low	44 Å²	44	62.1 Å²	62.1	31%	0.308	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.6	179.8	81.8	0	0	0	0	110.7	C43 D44	S34-C43 WeakPolarHBondContact O-CA 3.07Å; S34-D44 PolarHBondContact O-N 2.77Å; S34-D44 PolarHBondContact OG-OD2 2.76Å
35	I	63.7	Low	62.7	Low	19 Å²	19	61.1 Å²	61.1	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.6	168.5	-59.1	173.9	0	0	0	107.1	L19 V22 C42 Y66 P70	L19-I35 HydrophobicContact CD1-CG2 4.15Å; V22-I35 HydrophobicContact CG1-CD1 3.62Å; V22-I35 HydrophobicContact CG1-CG1 3.78Å; I35-C42 CarbonylContact C-O 3.57Å; I35-C42 WeakPolarHBondContact CA-O 3.34Å; I35-Y66 HydrophobicContact CB-CE1 4.34Å; I35-Y66 HydrophobicContact CD1-CE2 4.16Å; I35-Y66 HydrophobicContact CG2-CE1 4.12Å; I35-Y66 HydrophobicContact CG2-CE2 4.38Å; I35-P70 HydrophobicContact CD1-CB 4.16Å
36	Q	64.5	Low	62.7	Low	69 Å²	69	61.5 Å²	61.5	32%	0.322	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.8	171	-64.3	-179.9	27.7	0	0	108.9	G41 C42	Q36-G41 CarbonylContact O-C 3.56Å; Q36-G41 WeakPolarHBondContact O-CA 3.45Å; Q36-C42 PolarHBondContact N-O 3.34Å; Q36-C42 PolarHBondContact O-N 2.86Å
37	C	62.8	Low	62.4	Low	38 Å²	38	62.3 Å²	62.3	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	68.2	-173.9	-119.4	0	0	0	0	111.3	G39 C63 Y66	C37-G39 PolarHBondContact O-N 3.44Å; C37-C63 WeakPolarHBondContact CA-SG 3.28Å; C37-C63 HydrophobicContact CB-CB 3.82Å; C37-C63 WeakPolarHBondContact CB-SG 3.27Å; C37-C63 WeakPolarHBondContact SG-CA 3.02Å; C37-C63 WeakPolarHBondContact SG-CB 3.42Å; C37-C63 CovalentContact SG-SG 2.01Å; C37-C63 PolarHBondContact SG-SG 2.82Å; C37-Y66 HydrophobicContact CB-CD1 3.82Å; C37-Y66 HydrophobicContact CB-CE1 4.37Å
38	D	61.9	Low	61.8	Low	133 Å²	133	63.1 Å²	63.1	71%	0.711	35%	0.348	S	S	*	.	S	Bend	trans	-98.3	56	178.1	-68.9	-38.3	0	0	0	110.6	K40	D38-K40 PolarHBondContact O-N 2.97Å; D38-K40 VanDerWaalsContact O-N 3.12Å
39	G	56.6	Low	61.2	Low	40 Å²	40	67.1 Å²	67.1	41%	0.412	36%	0.36	S	S	.	.	S	Bend	trans	77.7	-17.9	-171.3	0	0	0	0	0	114.4	C37	C37-G39 PolarHBondContact O-N 3.44Å
40	K	58.1	Low	60.8	Low	100 Å²	100	64.8 Å²	64.8	44%	0.435	36%	0.36	S	S	.	.	S	Bend	trans	-124.1	123.4	169.5	-65.2	-170.8	-178.3	-161	0	108.5	D38 C42 C58 D59	D38-K40 PolarHBondContact O-N 2.97Å; D38-K40 VanDerWaalsContact O-N 3.12Å; K40-C42 PolarHBondContact O-N 2.86Å; K40-C58 VanDerWaalsContact CB-O 3.29Å; K40-C58 WeakPolarHBondContact CB-O 3.33Å; K40-C58 WeakPolarHBondContact CG-O 3.35Å; K40-D59 IonicContact NZ-OD1 2.87Å; K40-D59 PolarHBondContact NZ-OD1 3.36Å
41	G	63.9	Low	60.4	Low	1 Å²	1	67 Å²	67	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	113.4	174.8	0	0	0	0	0	109.6	Q36 C57 C58	Q36-G41 CarbonylContact O-C 3.56Å; Q36-G41 WeakPolarHBondContact O-CA 3.45Å; G41-C57 CarbonylContact O-C 3.25Å; G41-C58 WeakPolarHBondContact O-CB 3.23Å; G41-C58 PolarHBondContact O-N 2.89Å; G41-C58 PolarHBondContact O-SG 3.42Å
42	C	66.7	Low	60	Low	13 Å²	13	69.4 Å²	69.4	9%	0.088	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.9	-179.1	-69.9	0	0	0	0	110.3	I35 Q36 K40 T55 L56 C57	I35-C42 CarbonylContact C-O 3.57Å; I35-C42 WeakPolarHBondContact CA-O 3.34Å; Q36-C42 PolarHBondContact N-O 3.34Å; Q36-C42 PolarHBondContact O-N 2.86Å; K40-C42 PolarHBondContact O-N 2.86Å; C42-T55 HydrophobicContact CB-CG2 3.87Å; C42-L56 CarbonylContact C-O 3.6Å; C42-L56 VanDerWaalsContact CA-O 3.32Å; C42-L56 WeakPolarHBondContact CA-O 3.17Å; C42-C57 HydrophobicContact CB-CB 4.2Å; C42-C57 WeakPolarHBondContact CB-SG 3.25Å; C42-C57 WeakPolarHBondContact SG-CB 3.26Å; C42-C57 CovalentContact SG-SG 2.05Å; C42-C57 PolarHBondContact SG-SG 2.76Å
43	C	69.1	Low	59.8	Low	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.3	-179.6	165	0	0	0	0	110.1	V22 C32 S34 I45 T55 L56	V22-C43 HydrophobicContact CB-CB 4.43Å; V22-C43 HydrophobicContact CG1-CB 3.53Å; V22-C43 HydrophobicContact CG2-CB 4.03Å; C32-C43 HydrophobicContact CB-CB 4.44Å; C32-C43 WeakPolarHBondContact CB-SG 3.33Å; C32-C43 WeakPolarHBondContact SG-CB 3.43Å; C32-C43 CovalentContact SG-SG 2.01Å; C32-C43 PolarHBondContact SG-SG 3.49Å; S34-C43 WeakPolarHBondContact O-CA 3.07Å; C43-I45 PolarHBondContact O-N 3.32Å; C43-T55 CarbonylContact O-C 3.51Å; C43-T55 WeakPolarHBondContact O-CA 3.45Å; C43-L56 HydrophobicContact CB-CB 4.36Å; C43-L56 PolarHBondContact N-O 2.8Å; C43-L56 PolarHBondContact O-N 3.44Å
44	D	69.1	Low	59.8	Low	35 Å²	35	70.4 Å²	70.4	19%	0.187	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	110.5	174.2	-67.7	-44.1	0	0	0	110.1	C32 K33 S34 T53 T55	C32-D44 WeakPolarHBondContact CA-O 3.26Å; K33-D44 PolarHBondContact N-O 3.13Å; S34-D44 PolarHBondContact O-N 2.77Å; S34-D44 PolarHBondContact OG-OD2 2.76Å; D44-T53 HydrophobicContact CB-CG2 4.15Å; D44-T55 WeakPolarHBondContact OD1-CG2 3.39Å; D44-T55 PolarHBondContact OD1-OG1 3.35Å
45	I	65.3	Low	59.8	Low	30 Å²	30	69.8 Å²	69.8	15%	0.154	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.2	175.6	-54.2	179	0	0	0	107.9	V31 C43 V47 K54 L56	V31-I45 HydrophobicContact CB-CG2 3.97Å; V31-I45 HydrophobicContact CG2-CG2 3.95Å; V31-I45 WeakPolarHBondContact O-CA 3.43Å; C43-I45 PolarHBondContact O-N 3.32Å; I45-V47 HydrophobicContact CG2-CG2 3.85Å; I45-V47 PolarHBondContact O-N 2.93Å; I45-K54 WeakPolarHBondContact CA-O 3.2Å; I45-K54 VanDerWaalsContact CB-O 3.29Å; I45-K54 WeakPolarHBondContact CB-O 3.19Å; I45-K54 PolarHBondContact N-O 3.29Å; I45-K54 PolarHBondContact O-N 2.01Å; I45-L56 HydrophobicContact CD1-CB 3.79Å; I45-L56 HydrophobicContact CD1-CD1 3.88Å; I45-L56 HydrophobicContact CD1-CG 4.34Å; I45-L56 HydrophobicContact CG1-CB 4.31Å
46	D	61.5	Low	59.8	Low	51 Å²	51	69.6 Å²	69.6	27%	0.273	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	95.3	170	-163	-13	0	0	0	108.5	V31 K33 T48	V31-D46 PolarHBondContact O-N 3.37Å; K33-D46 IonicContact NZ-OD2 2.72Å; K33-D46 PolarHBondContact NZ-OD2 3.3Å; D46-T48 PolarHBondContact O-N 2.79Å
47	V	57.5	Low	59.7	Low	66 Å²	66	67 Å²	67	40%	0.4	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	93.5	176.2	-169.7	0	0	0	0	107.3	I45 K49 S50 K54	I45-V47 HydrophobicContact CG2-CG2 3.85Å; I45-V47 PolarHBondContact O-N 2.93Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 2.88Å; V47-S50 PolarHBondContact O-N 3.24Å; V47-K54 HydrophobicContact CG2-CD 4.47Å
48	T	48.6	Very low	59.7	Low	118 Å²	118	65.1 Å²	65.1	72%	0.724	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	90.1	174	43.2	0	0	0	0	110.1	D46	D46-T48 PolarHBondContact O-N 2.79Å
49	K	50.1	Low	59.3	Low	205 Å²	205	60.9 Å²	60.9	89%	0.891	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	173.7	-8.8	156.7	-97.3	168.4	-168.5	-168.8	0	113	V47	V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 2.88Å
50	S	51.7	Low	59.1	Low	79 Å²	79	66 Å²	66	55%	0.552	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	9.3	-173.9	-54.8	0	0	0	0	116.9	V47 L52	V47-S50 PolarHBondContact O-N 3.24Å; S50-L52 PolarHBondContact O-N 3.27Å
51	N	53.2	Low	58.9	Low	163 Å²	163	67.2 Å²	67.2	87%	0.872	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	20.5	-171.1	-78.3	-6.2	0	0	0	113.5
52	L	50.6	Low	58.4	Low	98 Å²	98	67.8 Å²	67.8	51%	0.513	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	101.9	179.8	-109.1	119.5	0	0	0	107.2	S50 K54	S50-L52 PolarHBondContact O-N 3.27Å; L52-K54 PolarHBondContact O-N 3.28Å
53	T	57.2	Low	58.1	Low	84 Å²	84	68.3 Å²	68.3	52%	0.515	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	115.2	165.8	-37.3	0	0	0	0	107.3	D44	D44-T53 HydrophobicContact CB-CG2 4.15Å
54	K	61.1	Low	57.5	Low	92 Å²	92	74.5 Å²	74.5	40%	0.4	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.6	172.3	-77.4	-170.8	174.6	-178.4	0	108.3	I45 V47 L52	I45-K54 WeakPolarHBondContact CA-O 3.2Å; I45-K54 VanDerWaalsContact CB-O 3.29Å; I45-K54 WeakPolarHBondContact CB-O 3.19Å; I45-K54 PolarHBondContact N-O 3.29Å; I45-K54 PolarHBondContact O-N 2.01Å; V47-K54 HydrophobicContact CG2-CD 4.47Å; L52-K54 PolarHBondContact O-N 3.28Å
55	T	63.3	Low	56.9	Low	32 Å²	32	75 Å²	75	20%	0.196	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.8	176.1	-49.2	0	0	0	0	109.6	C42 C43 D44	C42-T55 HydrophobicContact CB-CG2 3.87Å; C43-T55 CarbonylContact O-C 3.51Å; C43-T55 WeakPolarHBondContact O-CA 3.45Å; D44-T55 WeakPolarHBondContact OD1-CG2 3.39Å; D44-T55 PolarHBondContact OD1-OG1 3.35Å
56	L	63.6	Low	56.7	Low	15 Å²	15	75.6 Å²	75.6	8%	0.079	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.3	176.7	-164.7	109.8	0	0	0	108.3	M11 L13 V22 I25 C42 C43 I45	M11-L56 HydrophobicContact CB-CD1 4.26Å; L13-L56 HydrophobicContact CD1-CD1 3.69Å; L13-L56 HydrophobicContact CD1-CD2 3.35Å; L13-L56 HydrophobicContact CD1-CG 3.51Å; V22-L56 HydrophobicContact CG2-CD2 3.54Å; I25-L56 HydrophobicContact CD1-CD2 4.46Å; C42-L56 CarbonylContact C-O 3.6Å; C42-L56 VanDerWaalsContact CA-O 3.32Å; C42-L56 WeakPolarHBondContact CA-O 3.17Å; C43-L56 HydrophobicContact CB-CB 4.36Å; C43-L56 PolarHBondContact N-O 2.8Å; C43-L56 PolarHBondContact O-N 3.44Å; I45-L56 HydrophobicContact CD1-CB 3.79Å; I45-L56 HydrophobicContact CD1-CD1 3.88Å; I45-L56 HydrophobicContact CD1-CG 4.34Å; I45-L56 HydrophobicContact CG1-CB 4.31Å
57	C	62.4	Low	56.8	Low	13 Å²	13	77 Å²	77	9%	0.088	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.7	-174.9	-74.3	0	0	0	0	112.7	L13 G41 C42	L13-C57 PolarHBondContact N-O 2.73Å; G41-C57 CarbonylContact O-C 3.25Å; C42-C57 HydrophobicContact CB-CB 4.2Å; C42-C57 WeakPolarHBondContact CB-SG 3.25Å; C42-C57 WeakPolarHBondContact SG-CB 3.26Å; C42-C57 CovalentContact SG-SG 2.05Å; C42-C57 PolarHBondContact SG-SG 2.76Å
58	C	63.2	Low	57.1	Low	0 Å²	0	76.5 Å²	76.5	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.3	172.8	-51.6	0	0	0	0	110.6	C18 K40 G41 K60	C18-C58 HydrophobicContact CB-CB 3.47Å; C18-C58 VanDerWaalsContact CB-CB 3.47Å; C18-C58 WeakPolarHBondContact CB-SG 3Å; C18-C58 WeakPolarHBondContact SG-CA 3.23Å; C18-C58 WeakPolarHBondContact SG-CB 3.17Å; C18-C58 CovalentContact SG-SG 2Å; C18-C58 PolarHBondContact SG-SG 2.76Å; K40-C58 VanDerWaalsContact CB-O 3.29Å; K40-C58 WeakPolarHBondContact CB-O 3.33Å; K40-C58 WeakPolarHBondContact CG-O 3.35Å; G41-C58 WeakPolarHBondContact O-CB 3.23Å; G41-C58 PolarHBondContact O-N 2.89Å; G41-C58 PolarHBondContact O-SG 3.42Å; C58-K60 PolarHBondContact O-N 3.39Å
59	D	51.8	Low	57.8	Low	43 Å²	43	74.4 Å²	74.4	23%	0.23	41%	0.413	C	S	.	.	S	Bend	trans	-83.9	-7.2	-175.2	-146.6	8.7	0	0	0	114.3	K12 F14 K40	K12-D59 IonicContact NZ-OD2 3.73Å; F14-D59 HydrophobicContact CE1-CB 4.49Å; K40-D59 IonicContact NZ-OD1 2.87Å; K40-D59 PolarHBondContact NZ-OD1 3.36Å
60	K	52.6	Low	58.4	Low	149 Å²	149	66.1 Å²	66.1	65%	0.648	38%	0.381	S	S	*	.	S	Bend	trans	-143.6	146.4	-179.2	-71.7	-172.9	174.3	-178.6	0	111.4	C58 G62	C58-K60 PolarHBondContact O-N 3.39Å; K60-G62 VanDerWaalsContact C-N 3.26Å; K60-G62 PolarHBondContact O-N 3.21Å
61	D	54.9	Low	58.9	Low	125 Å²	125	69.3 Å²	69.3	67%	0.668	38%	0.384	S	S	*	.			trans	-14.1	73.3	175.3	-65	-46.2	0	0	0	115.2
62	G	53.6	Low	59.6	Low	12 Å²	12	64.6 Å²	64.6	12%	0.124	36%	0.359	C	S	.	.			trans	-91.5	-12.8	177.7	0	0	0	0	0	111.9	L19 K60	L19-G62 VanDerWaalsContact CB-O 3.28Å; L19-G62 WeakPolarHBondContact CB-O 3.33Å; L19-G62 VanDerWaalsContact CD2-O 3.27Å; L19-G62 WeakPolarHBondContact CD2-O 2.92Å; K60-G62 VanDerWaalsContact C-N 3.26Å; K60-G62 PolarHBondContact O-N 3.21Å
63	C	59.2	Low	60.2	Low	25 Å²	25	60.2 Å²	60.2	17%	0.169	34%	0.337	C	S	.	.			trans	-89.3	-2.7	-169.6	-62.4	0	0	0	0	113.9	C37 G65 Y66	C37-C63 WeakPolarHBondContact CA-SG 3.28Å; C37-C63 HydrophobicContact CB-CB 3.82Å; C37-C63 WeakPolarHBondContact CB-SG 3.27Å; C37-C63 WeakPolarHBondContact SG-CA 3.02Å; C37-C63 WeakPolarHBondContact SG-CB 3.42Å; C37-C63 CovalentContact SG-SG 2.01Å; C37-C63 PolarHBondContact SG-SG 2.82Å; C63-G65 PolarHBondContact O-N 3.23Å; C63-Y66 WeakPolarHBondContact O-CB 3.2Å; C63-Y66 PolarHBondContact O-N 3.24Å
64	D	56.7	Low	60.6	Low	129 Å²	129	58.2 Å²	58.2	69%	0.69	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	100.7	-174.2	-112.7	2.2	0	0	0	111.9
65	G	56.3	Low	60.9	Low	47 Å²	47	57.9 Å²	57.9	49%	0.485	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	9.8	-173.9	0	0	0	0	0	115	C63 N67	C63-G65 PolarHBondContact O-N 3.23Å; G65-N67 PolarHBondContact O-N 3.13Å
66	Y	61.6	Low	61.1	Low	41 Å²	41	58.6 Å²	58.6	16%	0.161	32%	0.323	C	S	.	.			trans	-75.1	119.2	167.2	-175	-107.2	0	0	0	109.4	L19 I35 C37 C63 G68 P70 S73	L19-Y66 HydrophobicContact CD1-CD2 4.16Å; L19-Y66 HydrophobicContact CD1-CG 4.41Å; L19-Y66 HydrophobicContact CD2-CD2 4.04Å; L19-Y66 HydrophobicContact CD2-CG 4.48Å; I35-Y66 HydrophobicContact CB-CE1 4.34Å; I35-Y66 HydrophobicContact CD1-CE2 4.16Å; I35-Y66 HydrophobicContact CG2-CE1 4.12Å; I35-Y66 HydrophobicContact CG2-CE2 4.38Å; C37-Y66 HydrophobicContact CB-CD1 3.82Å; C37-Y66 HydrophobicContact CB-CE1 4.37Å; C63-Y66 WeakPolarHBondContact O-CB 3.2Å; C63-Y66 PolarHBondContact O-N 3.24Å; Y66-G68 VanDerWaalsContact CE1-CA 3.45Å; Y66-G68 PolarHBondContact OH-O 2.83Å; Y66-P70 HydrophobicContact CE2-CB 4.49Å; Y66-S73 WeakPolarHBondContact CD2-OG 3.02Å
67	N	63.5	Low	61.1	Low	82 Å²	82	59 Å²	59	44%	0.439	32%	0.324	S	S	.	.			trans	-109.1	26.4	-175.6	61.7	2.4	0	0	0	112.9	G65 N69 L72	G65-N67 PolarHBondContact O-N 3.13Å; N67-N69 PolarHBondContact O-N 3.18Å; N67-N69 VanDerWaalsContact O-N 3.17Å; N67-N69 WeakPolarHBondContact OD1-CB 3.41Å; N67-N69 PolarHBondContact OD1-N 2.94Å; N67-N69 VanDerWaalsContact OD1-N 3.14Å; N67-N69 PolarHBondContact OD1-O 3.37Å; N67-L72 WeakPolarHBondContact ND2-CD2 3.26Å; N67-L72 VanDerWaalsContact ND2-CG 3.31Å; N67-L72 WeakPolarHBondContact ND2-CG 3.29Å
68	G	63.3	Low	61.2	Low	55 Å²	55	62.3 Å²	62.3	57%	0.567	34%	0.34	S	S	*	.	S	Bend	trans	76.5	-9.4	-174.2	0	0	0	0	0	114	Y66	Y66-G68 VanDerWaalsContact CE1-CA 3.45Å; Y66-G68 PolarHBondContact OH-O 2.83Å
69	N	64.9	Low	61.5	Low	74 Å²	74	69.9 Å²	69.9	40%	0.396	38%	0.375	S	S	.	.			trans	-109.5	107.3	177.8	-171.2	-33.3	0	0	0	110.5	N67 K71 L72 S73	N67-N69 PolarHBondContact O-N 3.18Å; N67-N69 VanDerWaalsContact O-N 3.17Å; N67-N69 WeakPolarHBondContact OD1-CB 3.41Å; N67-N69 PolarHBondContact OD1-N 2.94Å; N67-N69 VanDerWaalsContact OD1-N 3.14Å; N67-N69 PolarHBondContact OD1-O 3.37Å; N69-K71 VanDerWaalsContact C-N 3.28Å; N69-K71 PolarHBondContact O-N 2.97Å; N69-K71 WeakPolarHBondContact OD1-CB 3.32Å; N69-K71 PolarHBondContact OD1-N 3.44Å; N69-L72 HydrophobicContact CB-CB 3.94Å; N69-L72 PolarHBondContact O-N 3.08Å; N69-L72 PolarHBondContact OD1-N 2.01Å; N69-S73 WeakPolarHBondContact O-CB 3.36Å; N69-S73 PolarHBondContact O-N 2.84Å; N69-S73 PolarHBondContact O-OG 3.26Å
70	P	61.4	Low	62.2	Low	31 Å²	31	74 Å²	74	20%	0.201	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-32.7	-178.3	24.2	-33	0	0	0	112.6	I35 Y66 S73 F74	I35-P70 HydrophobicContact CD1-CB 4.16Å; Y66-P70 HydrophobicContact CE2-CB 4.49Å; P70-S73 PolarHBondContact O-N 3.38Å; P70-F74 VanDerWaalsContact O-CB 3.26Å; P70-F74 WeakPolarHBondContact O-CB 3.43Å; P70-F74 PolarHBondContact O-N 3.42Å
71	K	63.5	Low	62.6	Low	145 Å²	145	67.9 Å²	67.9	63%	0.63	37%	0.37	S	S	*	.	H	α-helix	trans	-66.2	-46.9	176.4	-175.4	178.6	-179.6	179	0	110.9	N69 S73 F74 Q75	N69-K71 VanDerWaalsContact C-N 3.28Å; N69-K71 PolarHBondContact O-N 2.97Å; N69-K71 WeakPolarHBondContact OD1-CB 3.32Å; N69-K71 PolarHBondContact OD1-N 3.44Å; K71-S73 VanDerWaalsContact C-N 3.33Å; K71-F74 PolarHBondContact O-N 2.86Å; K71-Q75 WeakPolarHBondContact O-CB 3.32Å; K71-Q75 VanDerWaalsContact O-CG 3.28Å; K71-Q75 WeakPolarHBondContact O-CG 3.43Å; K71-Q75 PolarHBondContact O-N 3.45Å
72	L	66.4	Low	63.1	Low	64 Å²	64	65.8 Å²	65.8	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-69.1	-34.7	178.9	-171.6	49.8	0	0	0	111.6	N67 N69 Q75 N76	N67-L72 WeakPolarHBondContact ND2-CD2 3.26Å; N67-L72 VanDerWaalsContact ND2-CG 3.31Å; N67-L72 WeakPolarHBondContact ND2-CG 3.29Å; N69-L72 HydrophobicContact CB-CB 3.94Å; N69-L72 PolarHBondContact O-N 3.08Å; N69-L72 PolarHBondContact OD1-N 2.01Å; L72-Q75 PolarHBondContact O-N 2.69Å; L72-N76 VanDerWaalsContact O-CB 3.3Å; L72-N76 WeakPolarHBondContact O-CB 3.43Å; L72-N76 PolarHBondContact O-N 3.31Å; L72-N76 PolarHBondContact O-ND2 2.83Å
73	S	63.4	Low	63.5	Low	7 Å²	7	67.6 Å²	67.6	5%	0.049	36%	0.359	C	S	.	.	H	α-helix	trans	-65.9	-42.9	173.7	-57.9	0	0	0	0	111.8	Y66 N69 P70 K71 N76 Y77	Y66-S73 WeakPolarHBondContact CD2-OG 3.02Å; N69-S73 WeakPolarHBondContact O-CB 3.36Å; N69-S73 PolarHBondContact O-N 2.84Å; N69-S73 PolarHBondContact O-OG 3.26Å; P70-S73 PolarHBondContact O-N 3.38Å; K71-S73 VanDerWaalsContact C-N 3.33Å; S73-N76 PolarHBondContact O-N 3.48Å; S73-Y77 VanDerWaalsContact O-CB 3.23Å; S73-Y77 WeakPolarHBondContact O-CB 3.49Å; S73-Y77 PolarHBondContact O-N 2.77Å
74	F	66.4	Low	63.6	Low	41 Å²	41	71.3 Å²	71.3	18%	0.18	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-43.7	173	-175.5	-109.3	0	0	0	111.7	C23 L24 I27 P70 K71 Y77 L78 M83	C23-F74 HydrophobicContact CB-CD2 4.48Å; L24-F74 HydrophobicContact CD2-CE2 3.58Å; L24-F74 HydrophobicContact CD2-CZ 3.9Å; L24-F74 HydrophobicContact CG-CE2 4.04Å; I27-F74 HydrophobicContact CD1-CB 4.27Å; I27-F74 HydrophobicContact CD1-CD1 3.69Å; I27-F74 HydrophobicContact CD1-CD2 4.01Å; I27-F74 HydrophobicContact CD1-CE1 3.94Å; I27-F74 HydrophobicContact CD1-CE2 4.26Å; I27-F74 HydrophobicContact CD1-CG 3.72Å; I27-F74 HydrophobicContact CD1-CZ 4.23Å; P70-F74 VanDerWaalsContact O-CB 3.26Å; P70-F74 WeakPolarHBondContact O-CB 3.43Å; P70-F74 PolarHBondContact O-N 3.42Å; K71-F74 PolarHBondContact O-N 2.86Å; F74-Y77 WeakPolarHBondContact O-CB 3.49Å; F74-Y77 PolarHBondContact O-N 2.76Å; F74-L78 HydrophobicContact CD1-CD1 3.8Å; F74-L78 HydrophobicContact CD1-CG 4.35Å; F74-L78 HydrophobicContact CE1-CD1 3.44Å; F74-L78 VanDerWaalsContact CE1-CD1 3.44Å; F74-L78 HydrophobicContact CE1-CG 4.07Å; F74-L78 HydrophobicContact CZ-CD1 3.98Å; F74-L78 HydrophobicContact CZ-CD2 4.28Å; F74-L78 HydrophobicContact CZ-CG 4.18Å; F74-L78 WeakPolarHBondContact O-CG 3.14Å; F74-L78 PolarHBondContact O-N 3.24Å; F74-M83 HydrophobicContact CE2-SD 4.4Å
75	Q	67.4	Low	64.1	Low	86 Å²	86	69.5 Å²	69.5	40%	0.402	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-45.4	174.3	-76.2	176.9	-37	0	0	112.1	K71 L72 Y77 L78 Q79	K71-Q75 WeakPolarHBondContact O-CB 3.32Å; K71-Q75 VanDerWaalsContact O-CG 3.28Å; K71-Q75 WeakPolarHBondContact O-CG 3.43Å; K71-Q75 PolarHBondContact O-N 3.45Å; L72-Q75 PolarHBondContact O-N 2.69Å; Q75-Y77 VanDerWaalsContact C-N 3.26Å; Q75-Y77 PolarHBondContact O-N 2.68Å; Q75-L78 WeakPolarHBondContact O-CB 3.34Å; Q75-L78 PolarHBondContact O-N 3.42Å; Q75-Q79 WeakPolarHBondContact O-CB 3.39Å; Q75-Q79 WeakPolarHBondContact O-CG 3.34Å; Q75-Q79 PolarHBondContact O-N 3.12Å
76	N	66.3	Low	64.4	Low	46 Å²	46	70.5 Å²	70.5	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-36.8	175.1	-75.8	-19.3	0	0	0	111.5	L72 S73 K80	L72-N76 VanDerWaalsContact O-CB 3.3Å; L72-N76 WeakPolarHBondContact O-CB 3.43Å; L72-N76 PolarHBondContact O-N 3.31Å; L72-N76 PolarHBondContact O-ND2 2.83Å; S73-N76 PolarHBondContact O-N 3.48Å; N76-K80 VanDerWaalsContact O-CB 3.31Å; N76-K80 WeakPolarHBondContact O-CB 3.44Å; N76-K80 VanDerWaalsContact O-CG 3.3Å; N76-K80 WeakPolarHBondContact O-CG 3.27Å; N76-K80 PolarHBondContact O-N 2Å
77	Y	63.6	Low	64.3	Low	24 Å²	24	73.3 Å²	73.3	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-68.3	-39.6	177.2	-168.2	-96.7	0	0	0	112.2	V20 S73 F74 Q75 R82 M83 R86	V20-Y77 HydrophobicContact CB-CD1 4.31Å; V20-Y77 HydrophobicContact CB-CE1 3.98Å; V20-Y77 HydrophobicContact CG1-CD1 3.74Å; V20-Y77 HydrophobicContact CG1-CE1 3.47Å; V20-Y77 VanDerWaalsContact CG1-CE1 3.47Å; V20-Y77 HydrophobicContact CG2-CD1 3.59Å; V20-Y77 HydrophobicContact CG2-CD2 3.54Å; V20-Y77 HydrophobicContact CG2-CE1 3.26Å; V20-Y77 HydrophobicContact CG2-CE2 3.22Å; V20-Y77 HydrophobicContact CG2-CG 3.72Å; S73-Y77 VanDerWaalsContact O-CB 3.23Å; S73-Y77 WeakPolarHBondContact O-CB 3.49Å; S73-Y77 PolarHBondContact O-N 2.77Å; F74-Y77 WeakPolarHBondContact O-CB 3.49Å; F74-Y77 PolarHBondContact O-N 2.76Å; Q75-Y77 VanDerWaalsContact C-N 3.26Å; Q75-Y77 PolarHBondContact O-N 2.68Å; Y77-R82 HydrophobicContact CD2-CB 3.94Å; Y77-R82 HydrophobicContact CE1-CB 4.44Å; Y77-R82 HydrophobicContact CE2-CB 3.56Å; Y77-R82 HydrophobicContact CG-CB 4.49Å; Y77-R82 PolarHBondContact O-N 2.8Å; Y77-M83 HydrophobicContact CD1-CB 3.74Å; Y77-M83 HydrophobicContact CD1-CG 4.38Å; Y77-M83 HydrophobicContact CE1-CB 3.44Å; Y77-M83 VanDerWaalsContact CE1-CB 3.44Å; Y77-M83 HydrophobicContact CE1-CG 3.95Å; Y77-R86 WeakPolarHBondContact OH-CG 3.38Å
78	L	66.5	Low	64.5	Low	82 Å²	82	75.2 Å²	75.2	43%	0.429	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-52	170.7	-73.4	175.2	0	0	0	111.5	F74 Q75 K80 G81 M83	F74-L78 HydrophobicContact CD1-CD1 3.8Å; F74-L78 HydrophobicContact CD1-CG 4.35Å; F74-L78 HydrophobicContact CE1-CD1 3.44Å; F74-L78 VanDerWaalsContact CE1-CD1 3.44Å; F74-L78 HydrophobicContact CE1-CG 4.07Å; F74-L78 HydrophobicContact CZ-CD1 3.98Å; F74-L78 HydrophobicContact CZ-CD2 4.28Å; F74-L78 HydrophobicContact CZ-CG 4.18Å; F74-L78 WeakPolarHBondContact O-CG 3.14Å; F74-L78 PolarHBondContact O-N 3.24Å; Q75-L78 WeakPolarHBondContact O-CB 3.34Å; Q75-L78 PolarHBondContact O-N 3.42Å; L78-K80 VanDerWaalsContact C-N 3.35Å; L78-K80 PolarHBondContact O-N 2.81Å; L78-G81 PolarHBondContact O-N 3.29Å; L78-M83 HydrophobicContact CD2-CB 4.38Å; L78-M83 HydrophobicContact CD2-SD 3.55Å; L78-M83 VanDerWaalsContact CD2-SD 3.55Å
79	Q	68.1	Low	64.6	Low	159 Å²	159	76.2 Å²	76.2	74%	0.743	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-40.2	-177.1	-80.2	-173.6	-6.2	0	0	112.6	Q75 G81	Q75-Q79 WeakPolarHBondContact O-CB 3.39Å; Q75-Q79 WeakPolarHBondContact O-CG 3.34Å; Q75-Q79 PolarHBondContact O-N 3.12Å; Q79-G81 PolarHBondContact O-N 3.05Å
80	K	66.1	Low	64.4	Low	131 Å²	131	74.9 Å²	74.9	57%	0.57	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	3.3	178.3	-72.3	-178.8	171.8	-174	0	113.4	N76 L78 R82	N76-K80 VanDerWaalsContact O-CB 3.31Å; N76-K80 WeakPolarHBondContact O-CB 3.44Å; N76-K80 VanDerWaalsContact O-CG 3.3Å; N76-K80 WeakPolarHBondContact O-CG 3.27Å; N76-K80 PolarHBondContact O-N 2Å; L78-K80 VanDerWaalsContact C-N 3.35Å; L78-K80 PolarHBondContact O-N 2.81Å; K80-R82 HydrophobicContact CB-CG 3.84Å; K80-R82 PolarHBondContact O-N 3.39Å
81	G	62.5	Low	64.4	Low	19 Å²	19	78.4 Å²	78.4	20%	0.196	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	8	-176.3	0	0	0	0	0	113.6	L78 Q79 M83 I84 N85	L78-G81 PolarHBondContact O-N 3.29Å; Q79-G81 PolarHBondContact O-N 3.05Å; G81-M83 PolarHBondContact O-N 2.81Å; G81-I84 PolarHBondContact O-N 2.72Å; G81-I84 VanDerWaalsContact O-N 3.14Å; G81-N85 PolarHBondContact O-N 2.78Å
82	R	64.1	Low	64.5	Low	82 Å²	82	78.2 Å²	78.2	31%	0.309	39%	0.386	S	S	.	.	H	α-helix	trans	-64.3	-34.4	-177.1	-69.9	-164.4	-85.5	-171	5.5	110.1	Y77 K80 R86	Y77-R82 HydrophobicContact CD2-CB 3.94Å; Y77-R82 HydrophobicContact CE1-CB 4.44Å; Y77-R82 HydrophobicContact CE2-CB 3.56Å; Y77-R82 HydrophobicContact CG-CB 4.49Å; Y77-R82 PolarHBondContact O-N 2.8Å; K80-R82 HydrophobicContact CB-CG 3.84Å; K80-R82 PolarHBondContact O-N 3.39Å; R82-R86 WeakPolarHBondContact O-CB 3.45Å; R82-R86 WeakPolarHBondContact O-CG 2.97Å; R82-R86 PolarHBondContact O-N 3.36Å
83	M	61.6	Low	64.4	Low	50 Å²	50	83.8 Å²	83.8	25%	0.246	41%	0.408	C	S	.	.	H	α-helix	trans	-64	-46.9	172.8	-164.4	167.5	-180	0	0	112.5	L24 F74 Y77 L78 G81 R86 L87	L24-M83 HydrophobicContact CD1-CE 4.31Å; F74-M83 HydrophobicContact CE2-SD 4.4Å; Y77-M83 HydrophobicContact CD1-CB 3.74Å; Y77-M83 HydrophobicContact CD1-CG 4.38Å; Y77-M83 HydrophobicContact CE1-CB 3.44Å; Y77-M83 VanDerWaalsContact CE1-CB 3.44Å; Y77-M83 HydrophobicContact CE1-CG 3.95Å; L78-M83 HydrophobicContact CD2-CB 4.38Å; L78-M83 HydrophobicContact CD2-SD 3.55Å; L78-M83 VanDerWaalsContact CD2-SD 3.55Å; G81-M83 PolarHBondContact O-N 2.81Å; M83-R86 PolarHBondContact O-N 3.19Å; M83-L87 VanDerWaalsContact O-CB 3.25Å; M83-L87 WeakPolarHBondContact O-CB 3.29Å; M83-L87 PolarHBondContact O-N 2.84Å
84	I	63.1	Low	64	Low	103 Å²	103	90.5 Å²	90.5	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-63.8	-47.8	-179	-68	166.6	0	0	0	110.4	G81 R86 L87 K88	G81-I84 PolarHBondContact O-N 2.72Å; G81-I84 VanDerWaalsContact O-N 3.14Å; I84-R86 VanDerWaalsContact C-N 3.31Å; I84-R86 PolarHBondContact O-N 3.04Å; I84-L87 PolarHBondContact O-N 3.03Å; I84-K88 HydrophobicContact CG2-CD 4.28Å; I84-K88 WeakPolarHBondContact O-CB 3.43Å; I84-K88 VanDerWaalsContact O-CG 3.31Å; I84-K88 WeakPolarHBondContact O-CG 3.09Å; I84-K88 PolarHBondContact O-N 2.87Å
85	N	66.2	Low	63.1	Low	91 Å²	91	91.4 Å²	91.4	49%	0.487	46%	0.463	S	S	.	.	H	α-helix	trans	-62.9	-40.1	178.7	-70	-18.5	0	0	0	111.4	G81 K88 D89	G81-N85 PolarHBondContact O-N 2.78Å; N85-K88 WeakPolarHBondContact O-CB 3.32Å; N85-K88 PolarHBondContact O-N 2.73Å; N85-D89 VanDerWaalsContact O-CG 3.29Å; N85-D89 PolarHBondContact O-N 3.47Å
86	R	62.4	Low	62	Low	68 Å²	68	89.6 Å²	89.6	26%	0.257	47%	0.468	S	S	.	.	H	α-helix	trans	-72.5	-34.5	178	-69.8	-74.8	-176.9	73.7	11.3	113.5	T16 S17 Y77 R82 M83 I84 K88 D89 A90	T16-R86 PolarHBondContact O-NH1 3.27Å; T16-R86 PolarHBondContact OG1-NH1 3.4Å; T16-R86 PolarHBondContact OG1-NH2 3.39Å; T16-R86 VanDerWaalsContact OG1-NH2 3.13Å; S17-R86 PolarHBondContact OG-NH1 3.48Å; Y77-R86 WeakPolarHBondContact OH-CG 3.38Å; R82-R86 WeakPolarHBondContact O-CB 3.45Å; R82-R86 WeakPolarHBondContact O-CG 2.97Å; R82-R86 PolarHBondContact O-N 3.36Å; M83-R86 PolarHBondContact O-N 3.19Å; I84-R86 VanDerWaalsContact C-N 3.31Å; I84-R86 PolarHBondContact O-N 3.04Å; R86-K88 VanDerWaalsContact C-N 3.33Å; R86-D89 PolarHBondContact O-N 2.77Å; R86-A90 VanDerWaalsContact O-CB 3.26Å; R86-A90 WeakPolarHBondContact O-CB 2.86Å; R86-A90 PolarHBondContact O-N 2.05Å
87	L	60.9	Low	60.7	Low	99 Å²	99	102.8 Å²	102.8	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-66.8	-40.7	173.3	-155.5	92	0	0	0	109.6	M83 I84 A90 L91	M83-L87 VanDerWaalsContact O-CB 3.25Å; M83-L87 WeakPolarHBondContact O-CB 3.29Å; M83-L87 PolarHBondContact O-N 2.84Å; I84-L87 PolarHBondContact O-N 3.03Å; L87-A90 PolarHBondContact O-N 3.01Å; L87-L91 HydrophobicContact CD2-CD1 4.07Å; L87-L91 HydrophobicContact CG-CD1 4.22Å; L87-L91 VanDerWaalsContact O-CB 3.23Å; L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.18Å
88	K	66.5	Low	60.5	Low	122 Å²	122	106.7 Å²	106.7	53%	0.53	54%	0.535	S	S	.	.	H	α-helix	trans	-60	-48.4	171.7	-75.3	178.9	178.7	-176.4	0	111.5	I84 N85 R86 A90 L91 Q92	I84-K88 HydrophobicContact CG2-CD 4.28Å; I84-K88 WeakPolarHBondContact O-CB 3.43Å; I84-K88 VanDerWaalsContact O-CG 3.31Å; I84-K88 WeakPolarHBondContact O-CG 3.09Å; I84-K88 PolarHBondContact O-N 2.87Å; N85-K88 WeakPolarHBondContact O-CB 3.32Å; N85-K88 PolarHBondContact O-N 2.73Å; R86-K88 VanDerWaalsContact C-N 3.33Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.27Å; K88-L91 PolarHBondContact O-N 3.02Å; K88-Q92 WeakPolarHBondContact O-CB 3.39Å; K88-Q92 WeakPolarHBondContact O-CG 3.29Å; K88-Q92 PolarHBondContact O-N 3.3Å
89	D	64.8	Low	60.2	Low	77 Å²	77	108 Å²	108	41%	0.412	54%	0.541	S	S	.	.	H	α-helix	trans	-60.7	-42.6	176.6	-71.4	-8.2	0	0	0	111.8	N85 R86 Q92 K93	N85-D89 VanDerWaalsContact O-CG 3.29Å; N85-D89 PolarHBondContact O-N 3.47Å; R86-D89 PolarHBondContact O-N 2.77Å; D89-Q92 PolarHBondContact O-N 3.21Å; D89-K93 WeakPolarHBondContact O-CB 3.44Å; D89-K93 WeakPolarHBondContact O-CG 3.44Å; D89-K93 PolarHBondContact O-N 3.3Å
90	A	61.1	Low	59.8	Low	45 Å²	45	105.2 Å²	105.2	37%	0.372	53%	0.529	S	S	.	.	H	α-helix	trans	-67.3	-42.3	178.2	0	0	0	0	0	111.6	R86 L87 K88 K93 L94	R86-A90 VanDerWaalsContact O-CB 3.26Å; R86-A90 WeakPolarHBondContact O-CB 2.86Å; R86-A90 PolarHBondContact O-N 2.05Å; L87-A90 PolarHBondContact O-N 3.01Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.27Å; A90-K93 PolarHBondContact O-N 2.81Å; A90-L94 WeakPolarHBondContact O-CB 3.06Å; A90-L94 WeakPolarHBondContact O-CG 3.38Å; A90-L94 PolarHBondContact O-N 3.31Å
91	L	61.6	Low	59.4	Low	105 Å²	105	103.6 Å²	103.6	55%	0.55	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-37.5	174.7	-75	168.4	0	0	0	111.6	L87 K88 K93 L94 G95	L87-L91 HydrophobicContact CD2-CD1 4.07Å; L87-L91 HydrophobicContact CG-CD1 4.22Å; L87-L91 VanDerWaalsContact O-CB 3.23Å; L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.18Å; K88-L91 PolarHBondContact O-N 3.02Å; L91-K93 VanDerWaalsContact C-N 3.35Å; L91-L94 PolarHBondContact O-N 2.9Å; L91-G95 WeakPolarHBondContact O-CA 2.88Å; L91-G95 PolarHBondContact O-N 2.82Å
92	Q	66.5	Low	59.2	Low	141 Å²	141	108.9 Å²	108.9	66%	0.659	55%	0.548	S	S	*	.	H	α-helix	trans	-63.9	-40.8	172.5	-79.2	-178.4	-20.9	0	0	111.5	K88 D89 G96	K88-Q92 WeakPolarHBondContact O-CB 3.39Å; K88-Q92 WeakPolarHBondContact O-CG 3.29Å; K88-Q92 PolarHBondContact O-N 3.3Å; D89-Q92 PolarHBondContact O-N 3.21Å; Q92-G96 PolarHBondContact O-N 3.21Å; Q92-G96 VanDerWaalsContact O-N 3.08Å
93	K	62.9	Low	58.9	Low	182 Å²	182	110.7 Å²	110.7	79%	0.791	56%	0.564	S	S	*	*	H	α-helix	trans	-70.8	-31.3	176.3	-73.8	178.1	179.8	-175.7	0	113.9	D89 A90 L91	D89-K93 WeakPolarHBondContact O-CB 3.44Å; D89-K93 WeakPolarHBondContact O-CG 3.44Å; D89-K93 PolarHBondContact O-N 3.3Å; A90-K93 PolarHBondContact O-N 2.81Å; L91-K93 VanDerWaalsContact C-N 3.35Å
94	L	54.7	Low	58.7	Low	148 Å²	148	115.1 Å²	115.1	78%	0.775	59%	0.586	S	S	*	*	H	α-helix	trans	-86	-24.5	177	-72.5	168.6	0	0	0	112.8	A90 L91	A90-L94 WeakPolarHBondContact O-CB 3.06Å; A90-L94 WeakPolarHBondContact O-CG 3.38Å; A90-L94 PolarHBondContact O-N 3.31Å; L91-L94 PolarHBondContact O-N 2.9Å
95	G	48.9	Very low	58.4	Low	60 Å²	60	116 Å²	116	62%	0.619	59%	0.591	S	S	*	*	H	α-helix	trans	-101.7	-8	-174.2	0	0	0	0	0	115.5	L91	L91-G95 WeakPolarHBondContact O-CA 2.88Å; L91-G95 PolarHBondContact O-N 2.82Å
96	G	43	Very low	57.7	Low	48 Å²	48	118.1 Å²	118.1	50%	0.495	60%	0.599	S	S	.	*			trans	-73	115.1	159.9	0	0	0	0	0	107.9	Q92	Q92-G96 PolarHBondContact O-N 3.21Å; Q92-G96 VanDerWaalsContact O-N 3.08Å
97	R	39.3	Very low	57.3	Low	322 Å²	322	122.6 Å²	122.6	100%	1.215	63%	0.631	S	S	*	*				35.9	0	61.8	-83.3	-163.7	174.1	157.2	-1	112.6

Retrieved 97 of 97 residues in 59.4 ms (Link to these results)

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