A0A077ZLF5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	43.5	Very low	169 Å²	169	111.9 Å²	111.9	83%	0.833	63%	0.626	S	S	*	*				0	118.8	0	-171.5	178.1	-139.7	0	0	107	Y17	M1-Y17 PolarHBondContact SD-OH 2.94Å
2	M	40.2	Very low	44.3	Very low	169 Å²	169	103.1 Å²	103.1	83%	0.833	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-85.5	130.5	172	-73.4	-175.5	175.8	0	0	108.2
3	L	46.1	Very low	44.4	Very low	67 Å²	67	104.8 Å²	104.8	35%	0.351	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-74.9	139.9	170.5	-69.6	169.7	0	0	0	108.8	A12 I24 M26	L3-A12 HydrophobicContact CD1-CB 3.69Å; L3-I24 HydrophobicContact CD1-CG2 4.5Å; L3-M26 HydrophobicContact CD1-CE 3.33Å
4	P	37.5	Very low	44.8	Very low	108 Å²	108	99.1 Å²	99.1	70%	0.701	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-63.4	139.8	178.1	25.1	-31.7	0	0	0	110.2	G6	P4-G6 PolarHBondContact O-N 3.02Å
5	P	39.7	Very low	45.1	Very low	131 Å²	131	103.6 Å²	103.6	85%	0.851	56%	0.562	S	S	*	*	S	Bend	trans	-67.3	130.3	176.4	27.2	-32	0	0	0	109.9
6	G	38	Very low	45.3	Very low	77 Å²	77	109.8 Å²	109.8	79%	0.794	57%	0.574	S	S	*	*			trans	126.8	16.3	164.7	0	0	0	0	0	118.2	P4	P4-G6 PolarHBondContact O-N 3.02Å
7	R	42.7	Very low	45.6	Very low	194 Å²	194	108.3 Å²	108.3	73%	0.732	56%	0.56	S	S	*	*			trans	-110.5	108.7	171.4	-146.1	-176.1	-158.2	-134.8	5.4	109.5	D9 S10	R7-D9 VanDerWaalsContact C-N 3.31Å; R7-D9 PolarHBondContact O-N 2.98Å; R7-S10 PolarHBondContact O-OG 3.3Å
8	N	47.2	Very low	45.9	Very low	97 Å²	97	110.3 Å²	110.3	52%	0.519	57%	0.566	S	S	.	*	S	Bend	trans	-67.1	-32.8	-174.3	-61.6	-15.2	0	0	0	112.1	D30	N8-D30 WeakPolarHBondContact CB-OD2 3.17Å; N8-D30 PolarHBondContact O-N 2.89Å
9	D	48.1	Very low	46.3	Very low	112 Å²	112	110.7 Å²	110.7	60%	0.599	57%	0.57	S	S	*	*	B	Isolated β-bridge	trans	-97	101.6	167.2	-58.5	-38.8	0	0	0	109.8	R7	R7-D9 VanDerWaalsContact C-N 3.31Å; R7-D9 PolarHBondContact O-N 2.98Å
10	S	53.4	Low	47.1	Very low	21 Å²	21	106.3 Å²	106.3	15%	0.147	55%	0.552	C	S	.	*			trans	-129.5	80.9	-179.7	-69.7	0	0	0	0	111.3	R7 A12 M26 D31	R7-S10 PolarHBondContact O-OG 3.3Å; S10-A12 VanDerWaalsContact C-N 3.27Å; S10-A12 PolarHBondContact O-N 3.18Å; S10-M26 VanDerWaalsContact CB-CE 3.47Å; S10-D31 CarbonylContact C-O 3.59Å; S10-D31 VanDerWaalsContact O-O 3.09Å
11	T	49.6	Very low	48	Very low	86 Å²	86	105.8 Å²	105.8	53%	0.528	55%	0.55	S	S	.	*			trans	-62	97.1	154.8	-38.7	0	0	0	0	107.6	E13	T11-E13 HydrophobicContact CG2-CG 3.51Å; T11-E13 PolarHBondContact O-N 2.78Å
12	A	52.3	Low	49.4	Very low	6 Å²	6	98.1 Å²	98.1	5%	0.05	51%	0.513	C	S	.	.			trans	-75.1	68.7	171.9	0	0	0	0	0	109	L3 S10 M14 I24 M26 T33	L3-A12 HydrophobicContact CD1-CB 3.69Å; S10-A12 VanDerWaalsContact C-N 3.27Å; S10-A12 PolarHBondContact O-N 3.18Å; A12-M14 PolarHBondContact O-N 2.9Å; A12-I24 HydrophobicContact CB-CD1 3.96Å; A12-M26 HydrophobicContact CB-CE 3.98Å; A12-T33 CarbonylContact C-O 3.54Å
13	E	46.3	Very low	50.6	Low	125 Å²	125	95.2 Å²	95.2	58%	0.584	50%	0.499	S	S	*	.			trans	-67.2	94.6	173.3	-67.1	-159.4	142	0	0	109.6	T11 Q15	T11-E13 HydrophobicContact CG2-CG 3.51Å; T11-E13 PolarHBondContact O-N 2.78Å; E13-Q15 PolarHBondContact O-N 3.12Å
14	M	49.5	Very low	51.5	Low	26 Å²	26	92.1 Å²	92.1	13%	0.128	48%	0.483	C	S	.	.			trans	-92.8	86.8	173.6	-71.7	-179.6	-58	0	0	109.3	A12 R16 Y17 V22 I24 A34 R35 V42	A12-M14 PolarHBondContact O-N 2.9Å; M14-R16 PolarHBondContact O-N 2.84Å; M14-Y17 HydrophobicContact CB-CD2 4.26Å; M14-Y17 HydrophobicContact CB-CE2 4.21Å; M14-Y17 HydrophobicContact CG-CE2 4.19Å; M14-Y17 HydrophobicContact SD-CE2 4.4Å; M14-V22 HydrophobicContact CE-CG1 3.27Å; M14-V22 HydrophobicContact SD-CB 4.46Å; M14-V22 HydrophobicContact SD-CG1 3.12Å; M14-V22 WeakPolarHBondContact SD-CG1 3.3Å; M14-I24 HydrophobicContact CE-CD1 3.21Å; M14-I24 HydrophobicContact CE-CG1 3.66Å; M14-I24 HydrophobicContact SD-CD1 4.24Å; M14-I24 HydrophobicContact SD-CG1 4.11Å; M14-A34 HydrophobicContact CE-CB 4.41Å; M14-R35 WeakPolarHBondContact CB-O 3.47Å; M14-V42 HydrophobicContact CE-CG1 4.45Å
15	Q	48.9	Very low	53	Low	166 Å²	166	90.8 Å²	90.8	78%	0.776	48%	0.476	S	S	*	.			trans	-71.5	112.6	170.9	-75.4	-174	3.4	0	0	110.2	E13	E13-Q15 PolarHBondContact O-N 3.12Å
16	R	48.9	Very low	54.2	Low	202 Å²	202	85.4 Å²	85.4	76%	0.762	44%	0.44	S	S	*	.			trans	53.1	76.3	162.4	-67.5	-179.6	178.2	167.6	0.3	116.1	M14 A37	M14-R16 PolarHBondContact O-N 2.84Å; R16-A37 HydrophobicContact CG-CB 4.23Å
17	Y	51.3	Low	55.5	Low	85 Å²	85	85.2 Å²	85.2	33%	0.333	43%	0.43	S	S	.	.			trans	-88.4	103	153.1	-73.3	-80.6	0	0	0	109.3	M1 M14 V22	M1-Y17 PolarHBondContact SD-OH 2.94Å; M14-Y17 HydrophobicContact CB-CD2 4.26Å; M14-Y17 HydrophobicContact CB-CE2 4.21Å; M14-Y17 HydrophobicContact CG-CE2 4.19Å; M14-Y17 HydrophobicContact SD-CE2 4.4Å; Y17-V22 HydrophobicContact CD2-CG2 4Å; Y17-V22 HydrophobicContact CG-CG2 4.16Å
18	Q	49.7	Very low	56.5	Low	145 Å²	145	84.2 Å²	84.2	68%	0.678	43%	0.426	S	S	*	.	S	Bend	trans	-79.6	124.4	166.1	-68.3	-177.9	-14.5	0	0	108.4
19	N	54	Low	57.3	Low	118 Å²	118	79.7 Å²	79.7	63%	0.631	40%	0.403	S	S	*	.	S	Bend	trans	58.6	65.9	176.1	-64.9	-13.8	0	0	0	115.3	N39	N19-N39 WeakPolarHBondContact OD1-CB 3.26Å; N19-N39 PolarHBondContact OD1-ND2 2.77Å; N19-N39 VanDerWaalsContact OD1-ND2 3.12Å
20	G	62.6	Low	58	Low	21 Å²	21	76.9 Å²	76.9	22%	0.216	39%	0.388	C	S	.	.			trans	-159.8	150.3	172.4	0	0	0	0	0	113.2	A40	G20-A40 WeakPolarHBondContact O-CA 3.23Å; G20-A40 WeakPolarHBondContact O-CB 3.25Å
21	D	65.7	Low	58.4	Low	96 Å²	96	78.7 Å²	78.7	51%	0.513	40%	0.395	S	S	.	.			trans	-84.6	130.3	172	-62.4	-39.5	0	0	0	109.5	S41 R62	D21-S41 WeakPolarHBondContact CB-OG 3.38Å; D21-S41 VanDerWaalsContact OD1-CB 3.27Å; D21-S41 WeakPolarHBondContact OD1-CB 3.3Å; D21-S41 PolarHBondContact OD1-OG 2.97Å; D21-R62 VanDerWaalsContact CG-NH2 3.29Å; D21-R62 IonicContact OD1-CZ 3.85Å; D21-R62 IonicContact OD1-NE 3.02Å; D21-R62 IonicContact OD1-NH1 2.94Å; D21-R62 PolarHBondContact OD1-NH1 2.8Å; D21-R62 IonicContact OD1-NH2 3.02Å; D21-R62 PolarHBondContact OD1-NH2 2.76Å; D21-R62 IonicContact OD2-CZ 2.98Å; D21-R62 IonicContact OD2-NH1 2.84Å; D21-R62 IonicContact OD2-NH2 3.6Å; D21-R62 PolarHBondContact OD2-NH2 2.82Å
22	V	65.1	Low	59.1	Low	9 Å²	9	74.6 Å²	74.6	6%	0.055	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.7	-173.8	172.6	0	0	0	0	107.8	M14 Y17 I24 A40 S41 V42 T43	M14-V22 HydrophobicContact CE-CG1 3.27Å; M14-V22 HydrophobicContact SD-CB 4.46Å; M14-V22 HydrophobicContact SD-CG1 3.12Å; M14-V22 WeakPolarHBondContact SD-CG1 3.3Å; Y17-V22 HydrophobicContact CD2-CG2 4Å; Y17-V22 HydrophobicContact CG-CG2 4.16Å; V22-I24 HydrophobicContact CG1-CG1 4.5Å; V22-A40 HydrophobicContact CG2-CB 4.41Å; V22-S41 PolarHBondContact N-O 2.71Å; V22-V42 HydrophobicContact CB-CG2 4.07Å; V22-V42 HydrophobicContact CG1-CG1 4.34Å; V22-V42 HydrophobicContact CG1-CG2 4.42Å; V22-V42 CarbonylContact O-C 3.27Å; V22-V42 WeakPolarHBondContact O-CA 3.38Å; V22-T43 PolarHBondContact O-N 2.52Å
23	M	65.8	Low	59.6	Low	107 Å²	107	75.6 Å²	75.6	53%	0.527	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.2	174.3	-171.3	-174.8	-68.9	0	0	108.8	T43	M23-T43 CarbonylContact C-O 3.52Å; M23-T43 WeakPolarHBondContact CA-O 2.84Å
24	I	66.2	Low	60.4	Low	3 Å²	3	69.7 Å²	69.7	2%	0.015	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118	166.8	-59.5	166.7	0	0	0	106.7	L3 A12 M14 V22 M26 A34 T43 V44 S45	L3-I24 HydrophobicContact CD1-CG2 4.5Å; A12-I24 HydrophobicContact CB-CD1 3.96Å; M14-I24 HydrophobicContact CE-CD1 3.21Å; M14-I24 HydrophobicContact CE-CG1 3.66Å; M14-I24 HydrophobicContact SD-CD1 4.24Å; M14-I24 HydrophobicContact SD-CG1 4.11Å; V22-I24 HydrophobicContact CG1-CG1 4.5Å; I24-M26 HydrophobicContact CG2-CE 3.73Å; I24-M26 HydrophobicContact CG2-CG 4.02Å; I24-M26 HydrophobicContact CG2-SD 4.27Å; I24-A34 HydrophobicContact CD1-CB 3.62Å; I24-T43 PolarHBondContact N-O 2.97Å; I24-V44 HydrophobicContact CB-CG1 4.47Å; I24-V44 HydrophobicContact CB-CG2 4.42Å; I24-V44 HydrophobicContact CD1-CG2 3.92Å; I24-V44 CarbonylContact O-C 3.54Å; I24-S45 PolarHBondContact O-N 3.08Å
25	S	67.4	Low	60.9	Low	79 Å²	79	73.8 Å²	73.8	55%	0.552	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.8	170	-176	0	0	0	0	108.1	S45	S25-S45 WeakPolarHBondContact CA-O 3.04Å
26	M	65.2	Low	61.4	Low	19 Å²	19	66.3 Å²	66.3	9%	0.094	33%	0.329	C	S	.	.			trans	-132.9	142.9	178	-63.3	179.6	179.4	0	0	108.9	L3 S10 A12 I24 C29 V32 S45 V46 P47	L3-M26 HydrophobicContact CD1-CE 3.33Å; S10-M26 VanDerWaalsContact CB-CE 3.47Å; A12-M26 HydrophobicContact CB-CE 3.98Å; I24-M26 HydrophobicContact CG2-CE 3.73Å; I24-M26 HydrophobicContact CG2-CG 4.02Å; I24-M26 HydrophobicContact CG2-SD 4.27Å; M26-C29 HydrophobicContact SD-CB 4.29Å; M26-V32 HydrophobicContact CE-CG2 3.98Å; M26-V32 HydrophobicContact SD-CG2 3.32Å; M26-V32 WeakPolarHBondContact SD-CG2 3.17Å; M26-S45 PolarHBondContact N-O 2.81Å; M26-S45 VanDerWaalsContact N-O 3.11Å; M26-V46 HydrophobicContact CB-CG1 4.5Å; M26-V46 HydrophobicContact CB-CG2 4.35Å; M26-P47 WeakPolarHBondContact O-CD 3.15Å
27	A	65.6	Low	61.7	Low	72 Å²	72	57.8 Å²	57.8	60%	0.595	30%	0.301	S	S	*	.	S	Bend	trans	-78.7	-38.5	179.9	0	0	0	0	0	112.5	P47	A27-P47 WeakPolarHBondContact O-CD 2.93Å
28	R	63.8	Low	62	Low	173 Å²	173	55.9 Å²	55.9	65%	0.653	30%	0.297	S	S	*	.			trans	-145.8	149	173.3	-51.8	-171.6	62.9	-167.2	-7.5	108.8	T48	R28-T48 CarbonylContact C-O 3.56Å; R28-T48 VanDerWaalsContact CA-O 3.26Å; R28-T48 WeakPolarHBondContact CA-O 3.12Å; R28-T48 WeakPolarHBondContact CB-OG1 3.36Å; R28-T48 VanDerWaalsContact CG-OG1 3.25Å; R28-T48 WeakPolarHBondContact CG-OG1 3.44Å
29	C	64.4	Low	62.5	Low	3 Å²	3	51.5 Å²	51.5	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.7	166.9	46.7	0	0	0	0	110.4	M26 V32 V46 T48 C49 E50	M26-C29 HydrophobicContact SD-CB 4.29Å; C29-V32 HydrophobicContact CB-CG2 3.56Å; C29-V32 WeakPolarHBondContact SG-CG2 3.15Å; C29-V46 WeakPolarHBondContact SG-CG1 2.87Å; C29-T48 PolarHBondContact N-O 3.26Å; C29-C49 VanDerWaalsContact C-SG 3.6Å; C29-C49 HydrophobicContact CB-CB 4.45Å; C29-C49 WeakPolarHBondContact CB-SG 3.27Å; C29-C49 CarbonylContact O-C 3.6Å; C29-C49 WeakPolarHBondContact O-CA 3.29Å; C29-C49 PolarHBondContact O-SG 3.29Å; C29-C49 WeakPolarHBondContact SG-CB 3.29Å; C29-C49 CovalentContact SG-SG 2.03Å; C29-C49 PolarHBondContact SG-SG 2.9Å; C29-E50 PolarHBondContact O-N 2.82Å
30	D	62.7	Low	62.9	Low	53 Å²	53	46 Å²	46	28%	0.283	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-46.1	167.3	-57.1	-23.6	0	0	0	107.7	N8 E50 Y51	N8-D30 WeakPolarHBondContact CB-OD2 3.17Å; N8-D30 PolarHBondContact O-N 2.89Å; D30-E50 WeakPolarHBondContact O-CB 3.32Å; D30-E50 PolarHBondContact O-N 2.96Å; D30-Y51 PolarHBondContact O-N 2.84Å
31	D	62	Low	63	Low	58 Å²	58	46.1 Å²	46.1	31%	0.31	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.4	171.3	-173.7	-26.6	0	0	0	111.4	S10 T33 Y51	S10-D31 CarbonylContact C-O 3.59Å; S10-D31 VanDerWaalsContact O-O 3.09Å; D31-T33 PolarHBondContact OD1-OG1 3.35Å; D31-Y51 CarbonylContact C-O 3.46Å; D31-Y51 WeakPolarHBondContact CA-O 3.3Å; D31-Y51 HydrophobicContact CB-CD1 4.47Å; D31-Y51 WeakPolarHBondContact OD1-CD1 3.23Å
32	V	63.5	Low	63	Low	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.1	164.9	170.2	0	0	0	0	110.5	M26 C29 V44 Y51 V52 A53	M26-V32 HydrophobicContact CE-CG2 3.98Å; M26-V32 HydrophobicContact SD-CG2 3.32Å; M26-V32 WeakPolarHBondContact SD-CG2 3.17Å; C29-V32 HydrophobicContact CB-CG2 3.56Å; C29-V32 WeakPolarHBondContact SG-CG2 3.15Å; V32-V44 HydrophobicContact CG1-CG1 4.32Å; V32-Y51 PolarHBondContact N-O 2.85Å; V32-V52 HydrophobicContact CB-CG1 4.49Å; V32-V52 CarbonylContact O-C 3.59Å; V32-V52 WeakPolarHBondContact O-CA 3.06Å; V32-A53 CarbonylContact O-C 3.34Å; V32-A53 PolarHBondContact O-N 2.98Å
33	T	63.8	Low	63.2	Low	28 Å²	28	42.9 Å²	42.9	17%	0.172	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.1	165.8	-62	0	0	0	0	110.5	A12 D31 R35 A53	A12-T33 CarbonylContact C-O 3.54Å; D31-T33 PolarHBondContact OD1-OG1 3.35Å; T33-R35 HydrophobicContact CG2-CG 4.22Å; T33-A53 VanDerWaalsContact CA-O 3.24Å; T33-A53 WeakPolarHBondContact CA-O 3.44Å; T33-A53 HydrophobicContact CG2-CB 4.49Å
34	A	61.7	Low	63.4	Low	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.9	174.6	0	0	0	0	0	111	M14 I24 V42 V44 A53 K54 E55	M14-A34 HydrophobicContact CE-CB 4.41Å; I24-A34 HydrophobicContact CD1-CB 3.62Å; A34-V42 HydrophobicContact CB-CG1 4.49Å; A34-V44 HydrophobicContact CB-CG2 3.96Å; A34-A53 PolarHBondContact N-O 3.44Å; A34-A53 VanDerWaalsContact N-O 3.1Å; A34-K54 HydrophobicContact CB-CG 4.26Å; A34-K54 WeakPolarHBondContact O-CG 3.38Å; A34-E55 PolarHBondContact O-N 2.69Å
35	R	60	Low	63.7	Low	112 Å²	112	39.5 Å²	39.5	42%	0.423	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.2	173.1	-59.9	-179.8	72.7	161.8	6.4	109.3	M14 T33	M14-R35 WeakPolarHBondContact CB-O 3.47Å; T33-R35 HydrophobicContact CG2-CG 4.22Å
36	S	59.1	Low	63.6	Low	10 Å²	10	35.9 Å²	35.9	7%	0.07	19%	0.192	C	C	.	.			trans	-141.7	146.1	172.6	60	0	0	0	0	110.5	V42 M56 C59	S36-V42 VanDerWaalsContact CB-CG2 3.44Å; S36-V42 WeakPolarHBondContact OG-CG2 3.47Å; S36-M56 VanDerWaalsContact OG-CE 3.29Å; S36-M56 WeakPolarHBondContact OG-CE 3.13Å; S36-C59 PolarHBondContact O-SG 2.75Å; S36-C59 VanDerWaalsContact O-SG 3.4Å; S36-C59 PolarHBondContact OG-SG 2.79Å; S36-C59 VanDerWaalsContact OG-SG 3.35Å
37	A	55.8	Low	63.6	Low	22 Å²	22	37.8 Å²	37.8	18%	0.182	21%	0.206	C	C	.	.			trans	-118.7	142.9	173.8	0	0	0	0	0	109.1	R16	R16-A37 HydrophobicContact CG-CB 4.23Å
38	D	58.6	Low	63.7	Low	46 Å²	46	36.4 Å²	36.4	25%	0.246	19%	0.19	C	C	.	.	S	Bend	trans	37.3	113	170.1	-74.7	-36.2	0	0	0	118.8	A40 E58	D38-A40 PolarHBondContact O-N 2.78Å; D38-E58 WeakPolarHBondContact CA-O 3.45Å; D38-E58 PolarHBondContact N-O 3.34Å
39	N	59.3	Low	63.7	Low	53 Å²	53	28.5 Å²	28.5	28%	0.283	16%	0.161	S	C	.	.	S	Bend	trans	61	28.7	168.6	-64.5	-16.2	0	0	0	116.4	N19 R60 R62	N19-N39 WeakPolarHBondContact OD1-CB 3.26Å; N19-N39 PolarHBondContact OD1-ND2 2.77Å; N19-N39 VanDerWaalsContact OD1-ND2 3.12Å; N39-R60 WeakPolarHBondContact CA-O 3.24Å; N39-R60 WeakPolarHBondContact OD1-CB 3.11Å; N39-R60 PolarHBondContact OD1-O 2.78Å; N39-R62 WeakPolarHBondContact O-CD 3.41Å
40	A	61.6	Low	63.8	Low	2 Å²	2	33.9 Å²	33.9	2%	0.017	19%	0.186	C	C	.	.			trans	-107	131.6	172.2	0	0	0	0	0	111.3	G20 V22 D38	G20-A40 WeakPolarHBondContact O-CA 3.23Å; G20-A40 WeakPolarHBondContact O-CB 3.25Å; V22-A40 HydrophobicContact CG2-CB 4.41Å; D38-A40 PolarHBondContact O-N 2.78Å
41	S	65.2	Low	63.9	Low	24 Å²	24	34.6 Å²	34.6	17%	0.168	19%	0.185	C	C	.	.			trans	-79.6	135.7	161.2	79.9	0	0	0	0	108.1	D21 V22 R62 G63	D21-S41 WeakPolarHBondContact CB-OG 3.38Å; D21-S41 VanDerWaalsContact OD1-CB 3.27Å; D21-S41 WeakPolarHBondContact OD1-CB 3.3Å; D21-S41 PolarHBondContact OD1-OG 2.97Å; V22-S41 PolarHBondContact N-O 2.71Å; S41-R62 WeakPolarHBondContact CB-O 3.11Å; S41-G63 WeakPolarHBondContact CA-O 3.38Å
42	V	66.7	Low	63.9	Low	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.1	179.2	177.4	0	0	0	0	108.9	M14 V22 A34 S36 V44 K54 G63 T65	M14-V42 HydrophobicContact CE-CG1 4.45Å; V22-V42 HydrophobicContact CB-CG2 4.07Å; V22-V42 HydrophobicContact CG1-CG1 4.34Å; V22-V42 HydrophobicContact CG1-CG2 4.42Å; V22-V42 CarbonylContact O-C 3.27Å; V22-V42 WeakPolarHBondContact O-CA 3.38Å; A34-V42 HydrophobicContact CB-CG1 4.49Å; S36-V42 VanDerWaalsContact CB-CG2 3.44Å; S36-V42 WeakPolarHBondContact OG-CG2 3.47Å; V42-V44 HydrophobicContact CG1-CG2 3.98Å; V42-K54 VanDerWaalsContact CB-NZ 3.31Å; V42-K54 PolarHBondContact O-NZ 2.83Å; V42-K54 VanDerWaalsContact O-NZ 3.14Å; V42-G63 PolarHBondContact N-O 2.75Å; V42-T65 PolarHBondContact O-N 3.19Å
43	T	69.7	Low	63.8	Low	36 Å²	36	32.1 Å²	32.1	22%	0.221	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.2	171.7	-57.3	0	0	0	0	109.3	V22 M23 I24 T65	V22-T43 PolarHBondContact O-N 2.52Å; M23-T43 CarbonylContact C-O 3.52Å; M23-T43 WeakPolarHBondContact CA-O 2.84Å; I24-T43 PolarHBondContact N-O 2.97Å; T43-T65 CarbonylContact C-O 3.42Å; T43-T65 WeakPolarHBondContact CA-O 3.48Å
44	V	69.2	Low	63.7	Low	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.3	172.3	-176.4	0	0	0	0	107.9	I24 V32 A34 V42 V46 T65 M66 S67	I24-V44 HydrophobicContact CB-CG1 4.47Å; I24-V44 HydrophobicContact CB-CG2 4.42Å; I24-V44 HydrophobicContact CD1-CG2 3.92Å; I24-V44 CarbonylContact O-C 3.54Å; V32-V44 HydrophobicContact CG1-CG1 4.32Å; A34-V44 HydrophobicContact CB-CG2 3.96Å; V42-V44 HydrophobicContact CG1-CG2 3.98Å; V44-V46 HydrophobicContact CG1-CG2 3.96Å; V44-T65 PolarHBondContact N-O 2.85Å; V44-M66 HydrophobicContact CB-CG 4.38Å; V44-S67 PolarHBondContact O-N 2.83Å
45	S	71.4	Confident	63.4	Low	39 Å²	39	33.9 Å²	33.9	27%	0.273	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	110.8	178.2	-67.4	0	0	0	0	109.9	I24 S25 M26 S67	I24-S45 PolarHBondContact O-N 3.08Å; S25-S45 WeakPolarHBondContact CA-O 3.04Å; M26-S45 PolarHBondContact N-O 2.81Å; M26-S45 VanDerWaalsContact N-O 3.11Å; S45-S67 VanDerWaalsContact CA-O 3.31Å; S45-S67 WeakPolarHBondContact CA-O 3.36Å
46	V	67.1	Low	62.8	Low	3 Å²	3	28.9 Å²	28.9	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.6	-179.7	-171.4	0	0	0	0	109.5	M26 C29 V44 T48 C49 S67 V68 Q69	M26-V46 HydrophobicContact CB-CG1 4.5Å; M26-V46 HydrophobicContact CB-CG2 4.35Å; C29-V46 WeakPolarHBondContact SG-CG1 2.87Å; V44-V46 HydrophobicContact CG1-CG2 3.96Å; V46-T48 VanDerWaalsContact CG1-O 3.26Å; V46-T48 WeakPolarHBondContact CG1-O 3.29Å; V46-C49 HydrophobicContact CG1-CB 4.09Å; V46-S67 PolarHBondContact N-O 2.82Å; V46-S67 VanDerWaalsContact N-O 3.07Å; V46-V68 HydrophobicContact CB-CG1 4.46Å; V46-V68 CarbonylContact O-C 3.53Å; V46-V68 VanDerWaalsContact O-CA 3.3Å; V46-V68 WeakPolarHBondContact O-CA 3.26Å; V46-Q69 PolarHBondContact O-N 2.7Å
47	P	65.4	Low	62	Low	59 Å²	59	35.2 Å²	35.2	38%	0.383	18%	0.183	S	C	.	.	S	Bend	trans	-74.5	-25.2	177.8	-16.8	29.3	0	0	0	115.5	M26 A27 Q69	M26-P47 WeakPolarHBondContact O-CD 3.15Å; A27-P47 WeakPolarHBondContact O-CD 2.93Å; P47-Q69 CarbonylContact C-O 3.42Å; P47-Q69 CarbonylContact O-C 3.49Å; P47-Q69 VanDerWaalsContact O-C 3.28Å; P47-Q69 WeakPolarHBondContact O-CB 3.36Å
48	T	66.1	Low	61.6	Low	43 Å²	43	39.9 Å²	39.9	26%	0.264	20%	0.201	S	C	.	.	S	Bend	trans	-150.1	124.1	172.7	64.7	0	0	0	0	109	R28 C29 V46 Q69 N70	R28-T48 CarbonylContact C-O 3.56Å; R28-T48 VanDerWaalsContact CA-O 3.26Å; R28-T48 WeakPolarHBondContact CA-O 3.12Å; R28-T48 WeakPolarHBondContact CB-OG1 3.36Å; R28-T48 VanDerWaalsContact CG-OG1 3.25Å; R28-T48 WeakPolarHBondContact CG-OG1 3.44Å; C29-T48 PolarHBondContact N-O 3.26Å; V46-T48 VanDerWaalsContact CG1-O 3.26Å; V46-T48 WeakPolarHBondContact CG1-O 3.29Å; T48-Q69 WeakPolarHBondContact CA-O 3.44Å; T48-Q69 PolarHBondContact N-O 3.35Å; T48-N70 WeakPolarHBondContact CA-O 3.38Å; T48-N70 HydrophobicContact CG2-CB 4.4Å
49	C	65.4	Low	61	Low	7 Å²	7	37.9 Å²	37.9	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	161.1	166.3	-143.3	0	0	0	0	110.3	C29 V46 Y51 V52 N70 S71	C29-C49 VanDerWaalsContact C-SG 3.6Å; C29-C49 HydrophobicContact CB-CB 4.45Å; C29-C49 WeakPolarHBondContact CB-SG 3.27Å; C29-C49 CarbonylContact O-C 3.6Å; C29-C49 WeakPolarHBondContact O-CA 3.29Å; C29-C49 PolarHBondContact O-SG 3.29Å; C29-C49 WeakPolarHBondContact SG-CB 3.29Å; C29-C49 CovalentContact SG-SG 2.03Å; C29-C49 PolarHBondContact SG-SG 2.9Å; V46-C49 HydrophobicContact CG1-CB 4.09Å; C49-Y51 PolarHBondContact SG-O 3.04Å; C49-V52 HydrophobicContact CB-CG2 3.46Å; C49-V52 VanDerWaalsContact CB-CG2 3.46Å; C49-N70 PolarHBondContact N-O 2.77Å; C49-S71 VanDerWaalsContact O-CA 3.26Å; C49-S71 WeakPolarHBondContact O-CA 3.37Å
50	E	65.1	Low	60.6	Low	115 Å²	115	42.8 Å²	42.8	54%	0.537	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-48.6	159.6	-60.6	-172.3	160.6	0	0	108.4	C29 D30 S71 D72 D73	C29-E50 PolarHBondContact O-N 2.82Å; D30-E50 WeakPolarHBondContact O-CB 3.32Å; D30-E50 PolarHBondContact O-N 2.96Å; E50-S71 PolarHBondContact O-OG 3.11Å; E50-D72 WeakPolarHBondContact O-CA 3.3Å; E50-D72 WeakPolarHBondContact O-CB 3.18Å; E50-D72 PolarHBondContact O-N 2.78Å; E50-D73 PolarHBondContact O-N 2.81Å; E50-D73 VanDerWaalsContact O-N 3.11Å
51	Y	65.1	Low	60.2	Low	69 Å²	69	48.1 Å²	48.1	27%	0.271	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.7	-177.3	-177.8	-96	0	0	0	113.1	D30 D31 V32 C49 A53 D73 I75	D30-Y51 PolarHBondContact O-N 2.84Å; D31-Y51 CarbonylContact C-O 3.46Å; D31-Y51 WeakPolarHBondContact CA-O 3.3Å; D31-Y51 HydrophobicContact CB-CD1 4.47Å; D31-Y51 WeakPolarHBondContact OD1-CD1 3.23Å; V32-Y51 PolarHBondContact N-O 2.85Å; C49-Y51 PolarHBondContact SG-O 3.04Å; Y51-A53 HydrophobicContact CD1-CB 4.28Å; Y51-A53 HydrophobicContact CE1-CB 3.35Å; Y51-D73 WeakPolarHBondContact CA-O 3.45Å; Y51-D73 HydrophobicContact CD2-CB 3.58Å; Y51-D73 HydrophobicContact CE2-CB 4.02Å; Y51-I75 HydrophobicContact CE2-CD1 4.3Å; Y51-I75 HydrophobicContact CE2-CG1 4.37Å; Y51-I75 WeakPolarHBondContact OH-CD1 3.42Å
52	V	62.5	Low	60	Low	1 Å²	1	52.6 Å²	52.6	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	105.5	171.1	-175.7	0	0	0	0	110.7	V32 C49 M66 V68 D73 V74 I75	V32-V52 HydrophobicContact CB-CG1 4.49Å; V32-V52 CarbonylContact O-C 3.59Å; V32-V52 WeakPolarHBondContact O-CA 3.06Å; C49-V52 HydrophobicContact CB-CG2 3.46Å; C49-V52 VanDerWaalsContact CB-CG2 3.46Å; V52-M66 HydrophobicContact CG1-CE 3.67Å; V52-V68 HydrophobicContact CB-CG2 4.14Å; V52-V68 HydrophobicContact CG1-CG2 3.94Å; V52-V68 HydrophobicContact CG2-CB 4.44Å; V52-V68 HydrophobicContact CG2-CG1 3.71Å; V52-V68 HydrophobicContact CG2-CG2 3.88Å; V52-D73 PolarHBondContact N-O 3.24Å; V52-V74 HydrophobicContact CB-CG1 4.31Å; V52-V74 HydrophobicContact CB-CG2 4.19Å; V52-V74 CarbonylContact O-C 3.56Å; V52-V74 WeakPolarHBondContact O-CA 3.33Å; V52-V74 WeakPolarHBondContact O-CG1 3.43Å; V52-I75 PolarHBondContact O-N 3.04Å
53	A	62.1	Low	59.9	Low	4 Å²	4	53.2 Å²	53.2	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.7	165.8	0	0	0	0	0	112.3	V32 T33 A34 Y51 I75	V32-A53 CarbonylContact O-C 3.34Å; V32-A53 PolarHBondContact O-N 2.98Å; T33-A53 VanDerWaalsContact CA-O 3.24Å; T33-A53 WeakPolarHBondContact CA-O 3.44Å; T33-A53 HydrophobicContact CG2-CB 4.49Å; A34-A53 PolarHBondContact N-O 3.44Å; A34-A53 VanDerWaalsContact N-O 3.1Å; Y51-A53 HydrophobicContact CD1-CB 4.28Å; Y51-A53 HydrophobicContact CE1-CB 3.35Å; A53-I75 CarbonylContact C-O 3.56Å; A53-I75 WeakPolarHBondContact CA-O 3.36Å
54	K	60.9	Low	59.6	Low	2 Å²	2	51.7 Å²	51.7	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	113.9	165.3	-172.1	172.6	-170.6	-177.3	0	108.5	A34 V42 M56 V64 M66 I75 S76 Q77	A34-K54 HydrophobicContact CB-CG 4.26Å; A34-K54 WeakPolarHBondContact O-CG 3.38Å; V42-K54 VanDerWaalsContact CB-NZ 3.31Å; V42-K54 PolarHBondContact O-NZ 2.83Å; V42-K54 VanDerWaalsContact O-NZ 3.14Å; K54-M56 VanDerWaalsContact CE-CE 3.47Å; K54-V64 HydrophobicContact CD-CG1 3.96Å; K54-M66 HydrophobicContact CB-CE 3.76Å; K54-M66 HydrophobicContact CB-SD 3.67Å; K54-M66 HydrophobicContact CD-CE 4.36Å; K54-M66 HydrophobicContact CD-CG 4.01Å; K54-M66 HydrophobicContact CD-SD 3.43Å; K54-M66 WeakPolarHBondContact CD-SD 3.24Å; K54-M66 HydrophobicContact CG-SD 4.19Å; K54-I75 PolarHBondContact N-O 2.8Å; K54-S76 CarbonylContact O-C 3.49Å; K54-Q77 PolarHBondContact O-N 3.06Å
55	E	55.6	Low	59.6	Low	63 Å²	63	54.4 Å²	54.4	29%	0.294	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.5	173.9	-66.4	-170	163.3	0	0	109.3	A34	A34-E55 PolarHBondContact O-N 2.69Å
56	M	46.4	Very low	59.4	Low	8 Å²	8	52.6 Å²	52.6	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.8	179.3	-171.7	176.9	-66.5	0	0	111	S36 K54 C59 V64 Q77 S79	S36-M56 VanDerWaalsContact OG-CE 3.29Å; S36-M56 WeakPolarHBondContact OG-CE 3.13Å; K54-M56 VanDerWaalsContact CE-CE 3.47Å; M56-C59 HydrophobicContact CG-CB 3.82Å; M56-C59 WeakPolarHBondContact CG-SG 3.27Å; M56-C59 HydrophobicContact SD-CB 3.44Å; M56-C59 WeakPolarHBondContact SD-CB 3.36Å; M56-C59 PolarHBondContact SD-SG 3.41Å; M56-V64 HydrophobicContact CE-CG2 3.12Å; M56-V64 HydrophobicContact SD-CG2 3.83Å; M56-Q77 WeakPolarHBondContact CA-O 3.22Å; M56-Q77 WeakPolarHBondContact CB-O 3.32Å; M56-Q77 PolarHBondContact N-O 3.14Å; M56-S79 PolarHBondContact O-N 3.4Å; M56-S79 PolarHBondContact O-OG 2.8Å
57	W	43.3	Very low	59.5	Low	142 Å²	142	54.3 Å²	54.3	54%	0.538	26%	0.259	S	S	.	.			trans	-102.9	123.2	171.4	-58.6	90.4	0	0	0	107	S79	W57-S79 WeakPolarHBondContact CA-OG 3.45Å
58	E	47.9	Very low	59.3	Low	121 Å²	121	51.5 Å²	51.5	57%	0.565	24%	0.241	S	C	*	.	S	Bend	trans	67.6	64.7	164	-147.8	165.7	-136.3	0	0	113.4	D38 S79	D38-E58 WeakPolarHBondContact CA-O 3.45Å; D38-E58 PolarHBondContact N-O 3.34Å; E58-S79 PolarHBondContact N-OG 3.21Å
59	C	45	Very low	59	Low	4 Å²	4	54.3 Å²	54.3	3%	0.027	25%	0.251	C	S	.	.			trans	-116.9	121.7	171.5	-81.8	0	0	0	0	111.3	S36 M56 Q80	S36-C59 PolarHBondContact O-SG 2.75Å; S36-C59 VanDerWaalsContact O-SG 3.4Å; S36-C59 PolarHBondContact OG-SG 2.79Å; S36-C59 VanDerWaalsContact OG-SG 3.35Å; M56-C59 HydrophobicContact CG-CB 3.82Å; M56-C59 WeakPolarHBondContact CG-SG 3.27Å; M56-C59 HydrophobicContact SD-CB 3.44Å; M56-C59 WeakPolarHBondContact SD-CB 3.36Å; M56-C59 PolarHBondContact SD-SG 3.41Å; C59-Q80 CarbonylContact O-C 3.58Å; C59-Q80 VanDerWaalsContact O-CB 3.23Å; C59-Q80 WeakPolarHBondContact O-CB 3.2Å
60	R	51.8	Low	58.8	Low	155 Å²	155	58 Å²	58	59%	0.585	27%	0.271	S	S	*	.			trans	-93	122.1	171	-70.3	178.3	179.7	172.1	2.2	110.6	N39 R62	N39-R60 WeakPolarHBondContact CA-O 3.24Å; N39-R60 WeakPolarHBondContact OD1-CB 3.11Å; N39-R60 PolarHBondContact OD1-O 2.78Å; R60-R62 PolarHBondContact O-N 2.93Å
61	N	53.2	Low	58.6	Low	115 Å²	115	52.7 Å²	52.7	62%	0.615	25%	0.246	S	C	*	.	S	Bend	trans	73.8	-19.7	157.2	-65.3	-0.2	0	0	0	122.6	N81	N61-N81 VanDerWaalsContact CA-O 3.3Å; N61-N81 WeakPolarHBondContact CA-O 3.32Å; N61-N81 PolarHBondContact N-O 2.82Å
62	R	60.7	Low	58.3	Low	118 Å²	118	53.9 Å²	53.9	45%	0.445	26%	0.257	S	S	.	.			trans	-102.3	-2.9	-166.5	-63.7	-165.6	81.7	-156.8	-5.5	118.3	D21 N39 S41 R60	D21-R62 VanDerWaalsContact CG-NH2 3.29Å; D21-R62 IonicContact OD1-CZ 3.85Å; D21-R62 IonicContact OD1-NE 3.02Å; D21-R62 IonicContact OD1-NH1 2.94Å; D21-R62 PolarHBondContact OD1-NH1 2.8Å; D21-R62 IonicContact OD1-NH2 3.02Å; D21-R62 PolarHBondContact OD1-NH2 2.76Å; D21-R62 IonicContact OD2-CZ 2.98Å; D21-R62 IonicContact OD2-NH1 2.84Å; D21-R62 IonicContact OD2-NH2 3.6Å; D21-R62 PolarHBondContact OD2-NH2 2.82Å; N39-R62 WeakPolarHBondContact O-CD 3.41Å; S41-R62 WeakPolarHBondContact CB-O 3.11Å; R60-R62 PolarHBondContact O-N 2.93Å
63	G	63.4	Low	58.3	Low	12 Å²	12	57.1 Å²	57.1	12%	0.124	27%	0.274	C	S	.	.			trans	74.4	178.1	169.3	0	0	0	0	0	116.4	S41 V42 H83	S41-G63 WeakPolarHBondContact CA-O 3.38Å; V42-G63 PolarHBondContact N-O 2.75Å; G63-H83 CarbonylContact C-O 3.48Å; G63-H83 WeakPolarHBondContact CA-O 3.29Å
64	V	64.2	Low	58.1	Low	4 Å²	4	57 Å²	57	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.1	-167.5	164.8	0	0	0	0	108.8	K54 M56 M66 H83 V84 M85	K54-V64 HydrophobicContact CD-CG1 3.96Å; M56-V64 HydrophobicContact CE-CG2 3.12Å; M56-V64 HydrophobicContact SD-CG2 3.83Å; V64-M66 HydrophobicContact CG1-CG 3.88Å; V64-M66 HydrophobicContact CG1-SD 4.28Å; V64-H83 PolarHBondContact N-O 3.48Å; V64-V84 HydrophobicContact CB-CB 4.39Å; V64-V84 HydrophobicContact CB-CG1 4.48Å; V64-V84 HydrophobicContact CB-CG2 3.77Å; V64-V84 HydrophobicContact CG1-CG1 4.28Å; V64-V84 HydrophobicContact CG1-CG2 4.33Å; V64-V84 HydrophobicContact CG2-CG2 4.11Å; V64-V84 CarbonylContact O-C 3.59Å; V64-V84 WeakPolarHBondContact O-CA 3.37Å; V64-M85 PolarHBondContact O-N 2.95Å
65	T	68.8	Low	58.2	Low	59 Å²	59	59 Å²	59	36%	0.362	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.2	167.1	-55	0	0	0	0	108.6	V42 T43 V44 M85	V42-T65 PolarHBondContact O-N 3.19Å; T43-T65 CarbonylContact C-O 3.42Å; T43-T65 WeakPolarHBondContact CA-O 3.48Å; V44-T65 PolarHBondContact N-O 2.85Å; T65-M85 CarbonylContact C-O 3.52Å; T65-M85 WeakPolarHBondContact CA-O 3.4Å; T65-M85 HydrophobicContact CG2-CB 4.39Å
66	M	66.9	Low	58.6	Low	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.7	174.1	-66.7	178.2	69.6	0	0	108.2	V44 V52 K54 V64 V74 S76 M85 I86 S87 M88	V44-M66 HydrophobicContact CB-CG 4.38Å; V52-M66 HydrophobicContact CG1-CE 3.67Å; K54-M66 HydrophobicContact CB-CE 3.76Å; K54-M66 HydrophobicContact CB-SD 3.67Å; K54-M66 HydrophobicContact CD-CE 4.36Å; K54-M66 HydrophobicContact CD-CG 4.01Å; K54-M66 HydrophobicContact CD-SD 3.43Å; K54-M66 WeakPolarHBondContact CD-SD 3.24Å; K54-M66 HydrophobicContact CG-SD 4.19Å; V64-M66 HydrophobicContact CG1-CG 3.88Å; V64-M66 HydrophobicContact CG1-SD 4.28Å; M66-V74 HydrophobicContact CE-CG1 3.95Å; M66-S76 PolarHBondContact SD-OG 2.89Å; M66-M85 PolarHBondContact N-O 2.77Å; M66-I86 WeakPolarHBondContact O-CA 3.12Å; M66-S87 PolarHBondContact O-N 2.78Å; M66-M88 HydrophobicContact CB-CE 4.37Å; M66-M88 HydrophobicContact CE-CE 4.47Å
67	S	68.8	Low	59.4	Low	39 Å²	39	58.2 Å²	58.2	27%	0.273	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	96.4	172.9	178	0	0	0	0	108.3	V44 S45 V46 S87	V44-S67 PolarHBondContact O-N 2.83Å; S45-S67 VanDerWaalsContact CA-O 3.31Å; S45-S67 WeakPolarHBondContact CA-O 3.36Å; V46-S67 PolarHBondContact N-O 2.82Å; V46-S67 VanDerWaalsContact N-O 3.07Å; S67-S87 WeakPolarHBondContact CA-O 3.33Å
68	V	62.5	Low	60.3	Low	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.2	179.1	-175.1	0	0	0	0	107.9	V46 V52 S87 M88 P89	V46-V68 HydrophobicContact CB-CG1 4.46Å; V46-V68 CarbonylContact O-C 3.53Å; V46-V68 VanDerWaalsContact O-CA 3.3Å; V46-V68 WeakPolarHBondContact O-CA 3.26Å; V52-V68 HydrophobicContact CB-CG2 4.14Å; V52-V68 HydrophobicContact CG1-CG2 3.94Å; V52-V68 HydrophobicContact CG2-CB 4.44Å; V52-V68 HydrophobicContact CG2-CG1 3.71Å; V52-V68 HydrophobicContact CG2-CG2 3.88Å; V68-S87 PolarHBondContact N-O 2.81Å; V68-M88 HydrophobicContact CB-CE 4.11Å; V68-M88 HydrophobicContact CB-CG 4.12Å; V68-M88 HydrophobicContact CG2-CE 3.98Å; V68-M88 WeakPolarHBondContact O-CA 3.37Å; V68-M88 WeakPolarHBondContact O-CG 3.27Å; V68-P89 WeakPolarHBondContact O-CD 3.5Å
69	Q	60.5	Low	60.7	Low	102 Å²	102	47.3 Å²	47.3	48%	0.477	24%	0.239	S	C	.	.	S	Bend	trans	-97.4	135.2	170	-47.5	-171.6	-24.6	0	0	107.2	V46 P47 T48 P89	V46-Q69 PolarHBondContact O-N 2.7Å; P47-Q69 CarbonylContact C-O 3.42Å; P47-Q69 CarbonylContact O-C 3.49Å; P47-Q69 VanDerWaalsContact O-C 3.28Å; P47-Q69 WeakPolarHBondContact O-CB 3.36Å; T48-Q69 WeakPolarHBondContact CA-O 3.44Å; T48-Q69 PolarHBondContact N-O 3.35Å; Q69-P89 HydrophobicContact CB-CG 3.95Å; Q69-P89 HydrophobicContact CG-CG 3.66Å
70	N	59.9	Low	61.3	Low	85 Å²	85	50.9 Å²	50.9	46%	0.455	26%	0.255	S	S	.	.	S	Bend	trans	55.2	79.9	175.4	-153.6	68.4	0	0	0	113.8	T48 C49 R90	T48-N70 WeakPolarHBondContact CA-O 3.38Å; T48-N70 HydrophobicContact CG2-CB 4.4Å; C49-N70 PolarHBondContact N-O 2.77Å; N70-R90 WeakPolarHBondContact CA-O 3.41Å; N70-R90 PolarHBondContact N-O 3.18Å
71	S	60.9	Low	61.6	Low	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.5	172.7	-148.4	0	0	0	0	109.7	C49 E50 D73 R90 C91 G92	C49-S71 VanDerWaalsContact O-CA 3.26Å; C49-S71 WeakPolarHBondContact O-CA 3.37Å; E50-S71 PolarHBondContact O-OG 3.11Å; S71-D73 PolarHBondContact OG-O 3.43Å; S71-R90 PolarHBondContact N-O 2.82Å; S71-C91 WeakPolarHBondContact CB-SG 3.33Å; S71-C91 CarbonylContact O-C 3.55Å; S71-C91 WeakPolarHBondContact O-CA 3.28Å; S71-C91 WeakPolarHBondContact O-CB 3.43Å; S71-G92 PolarHBondContact O-N 2.77Å
72	D	59.8	Low	62	Low	95 Å²	95	39.6 Å²	39.6	51%	0.508	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-48.9	169	-62.8	-33.4	0	0	0	108.7	E50 G92 D93	E50-D72 WeakPolarHBondContact O-CA 3.3Å; E50-D72 WeakPolarHBondContact O-CB 3.18Å; E50-D72 PolarHBondContact O-N 2.78Å; D72-G92 CarbonylContact O-C 3.44Å; D72-G92 WeakPolarHBondContact O-CA 3.36Å; D72-G92 PolarHBondContact O-N 2.81Å; D72-D93 PolarHBondContact O-N 2.81Å
73	D	61.1	Low	62.3	Low	68 Å²	68	38.9 Å²	38.9	36%	0.364	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.7	-177.5	-79.7	-17.3	0	0	0	113	E50 Y51 V52 S71 D93	E50-D73 PolarHBondContact O-N 2.81Å; E50-D73 VanDerWaalsContact O-N 3.11Å; Y51-D73 WeakPolarHBondContact CA-O 3.45Å; Y51-D73 HydrophobicContact CD2-CB 3.58Å; Y51-D73 HydrophobicContact CE2-CB 4.02Å; V52-D73 PolarHBondContact N-O 3.24Å; S71-D73 PolarHBondContact OG-O 3.43Å; D73-D93 VanDerWaalsContact CA-O 3.28Å; D73-D93 WeakPolarHBondContact CA-O 3.34Å; D73-D93 WeakPolarHBondContact OD1-CB 3.35Å
74	V	57.6	Low	62.4	Low	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.8	170.9	-175.4	0	0	0	0	112.4	V52 M66 M88 D93 V94 T95	V52-V74 HydrophobicContact CB-CG1 4.31Å; V52-V74 HydrophobicContact CB-CG2 4.19Å; V52-V74 CarbonylContact O-C 3.56Å; V52-V74 WeakPolarHBondContact O-CA 3.33Å; V52-V74 WeakPolarHBondContact O-CG1 3.43Å; M66-V74 HydrophobicContact CE-CG1 3.95Å; V74-M88 HydrophobicContact CB-CE 3.88Å; V74-M88 HydrophobicContact CB-SD 3.92Å; V74-M88 HydrophobicContact CG1-CE 3.23Å; V74-M88 HydrophobicContact CG1-SD 3.91Å; V74-M88 HydrophobicContact CG2-CE 3.81Å; V74-M88 HydrophobicContact CG2-SD 3.79Å; V74-D93 PolarHBondContact N-O 2.74Å; V74-V94 HydrophobicContact CB-CG1 4.26Å; V74-V94 HydrophobicContact CB-CG2 4.35Å; V74-T95 PolarHBondContact O-N 2.96Å
75	I	63.6	Low	62.6	Low	45 Å²	45	42 Å²	42	23%	0.231	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.2	173.1	-55.6	-171.6	0	0	0	110	Y51 V52 A53 K54 Q77 T95	Y51-I75 HydrophobicContact CE2-CD1 4.3Å; Y51-I75 HydrophobicContact CE2-CG1 4.37Å; Y51-I75 WeakPolarHBondContact OH-CD1 3.42Å; V52-I75 PolarHBondContact O-N 3.04Å; A53-I75 CarbonylContact C-O 3.56Å; A53-I75 WeakPolarHBondContact CA-O 3.36Å; K54-I75 PolarHBondContact N-O 2.8Å; I75-Q77 HydrophobicContact CG2-CG 4.16Å; I75-T95 VanDerWaalsContact CA-O 3.25Å; I75-T95 WeakPolarHBondContact CA-O 3.49Å
76	S	65	Low	62.6	Low	2 Å²	2	39.2 Å²	39.2	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.3	171.6	-161.1	0	0	0	0	110.6	K54 M66 T95 E97	K54-S76 CarbonylContact O-C 3.49Å; M66-S76 PolarHBondContact SD-OG 2.89Å; S76-T95 PolarHBondContact N-O 2.91Å; S76-E97 CarbonylContact O-C 3.6Å; S76-E97 PolarHBondContact O-N 2.88Å
77	Q	62.7	Low	62.6	Low	52 Å²	52	41.2 Å²	41.2	24%	0.243	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.3	174.8	-63.5	-177.1	23.5	0	0	110.5	K54 M56 I75 E97	K54-Q77 PolarHBondContact O-N 3.06Å; M56-Q77 WeakPolarHBondContact CA-O 3.22Å; M56-Q77 WeakPolarHBondContact CB-O 3.32Å; M56-Q77 PolarHBondContact N-O 3.14Å; I75-Q77 HydrophobicContact CG2-CG 4.16Å; Q77-E97 VanDerWaalsContact CA-O 3.26Å; Q77-E97 WeakPolarHBondContact CA-O 3.26Å; Q77-E97 HydrophobicContact CG-CB 4.49Å
78	S	62.4	Low	62.4	Low	8 Å²	8	39.4 Å²	39.4	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.1	175.5	-172.8	0	0	0	0	111.2	W99	S78-W99 PolarHBondContact O-N 3.35Å; S78-W99 VanDerWaalsContact O-N 3.11Å
79	S	54.9	Low	62.3	Low	26 Å²	26	41.2 Å²	41.2	18%	0.182	22%	0.217	C	C	.	.			trans	-105.4	-15.1	-171.2	51.6	0	0	0	0	116.2	M56 W57 E58 W99 R100	M56-S79 PolarHBondContact O-N 3.4Å; M56-S79 PolarHBondContact O-OG 2.8Å; W57-S79 WeakPolarHBondContact CA-OG 3.45Å; E58-S79 PolarHBondContact N-OG 3.21Å; S79-W99 CarbonylContact C-O 3.57Å; S79-W99 WeakPolarHBondContact CA-O 3.1Å; S79-R100 CarbonylContact O-C 3.6Å; S79-R100 VanDerWaalsContact O-O 3.12Å
80	Q	58.3	Low	62.2	Low	79 Å²	79	43.6 Å²	43.6	37%	0.369	22%	0.222	S	C	.	.	S	Bend	trans	-156.5	176.4	-177.8	-67.9	-169.8	-9.9	0	0	112.9	C59	C59-Q80 CarbonylContact O-C 3.58Å; C59-Q80 VanDerWaalsContact O-CB 3.23Å; C59-Q80 WeakPolarHBondContact O-CB 3.2Å
81	N	58.2	Low	62.1	Low	26 Å²	26	40.3 Å²	40.3	14%	0.139	21%	0.206	C	C	.	.	S	Bend	trans	-47.9	138.4	-160.6	-60.7	-16.9	0	0	0	117.6	N61 Q102 Y103	N61-N81 VanDerWaalsContact CA-O 3.3Å; N61-N81 WeakPolarHBondContact CA-O 3.32Å; N61-N81 PolarHBondContact N-O 2.82Å; N81-Q102 WeakPolarHBondContact OD1-CA 3.47Å; N81-Q102 WeakPolarHBondContact OD1-CB 3.38Å; N81-Q102 PolarHBondContact OD1-N 2.82Å; N81-Y103 VanDerWaalsContact CA-O 3.3Å; N81-Y103 WeakPolarHBondContact CA-O 3.5Å; N81-Y103 PolarHBondContact OD1-N 3.26Å
82	G	62.2	Low	62.1	Low	6 Å²	6	41.7 Å²	41.7	6%	0.062	22%	0.22	C	C	.	.	S	Bend	trans	151.9	162.3	172.4	0	0	0	0	0	111.7	R101 Y103	G82-R101 PolarHBondContact O-NE 2.77Å; G82-R101 PolarHBondContact O-NH1 3.49Å; G82-R101 PolarHBondContact O-NH2 3.25Å; G82-Y103 PolarHBondContact N-O 2.83Å
83	H	66.3	Low	62.3	Low	103 Å²	103	40.4 Å²	40.4	48%	0.477	21%	0.213	S	C	.	.			trans	-75.5	136.7	173.7	-58.4	-84.6	0	0	0	109.6	G63 V64 D105	G63-H83 CarbonylContact C-O 3.48Å; G63-H83 WeakPolarHBondContact CA-O 3.29Å; V64-H83 PolarHBondContact N-O 3.48Å; H83-D105 CarbonylContact C-O 3.54Å; H83-D105 VanDerWaalsContact CA-O 3.29Å; H83-D105 WeakPolarHBondContact CA-O 3.42Å; H83-D105 IonicContact CE1-OD2 3.8Å; H83-D105 PolarHBondContact CE1-OD2 2.89Å; H83-D105 PolarHBondContact ND1-N 2.77Å; H83-D105 IonicContact ND1-OD2 3.87Å; H83-D105 PolarHBondContact ND1-OD2 2.81Å
84	V	66	Low	62.3	Low	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.1	168.7	168.5	0	0	0	0	107.7	V64 I86 M98 D105 V106 M107	V64-V84 HydrophobicContact CB-CB 4.39Å; V64-V84 HydrophobicContact CB-CG1 4.48Å; V64-V84 HydrophobicContact CB-CG2 3.77Å; V64-V84 HydrophobicContact CG1-CG1 4.28Å; V64-V84 HydrophobicContact CG1-CG2 4.33Å; V64-V84 HydrophobicContact CG2-CG2 4.11Å; V64-V84 CarbonylContact O-C 3.59Å; V64-V84 WeakPolarHBondContact O-CA 3.37Å; V84-I86 HydrophobicContact CG1-CD1 3.9Å; V84-I86 HydrophobicContact CG1-CG1 3.71Å; V84-M98 HydrophobicContact CB-CE 3.99Å; V84-M98 HydrophobicContact CB-SD 4.05Å; V84-M98 HydrophobicContact CG1-CE 3.42Å; V84-M98 VanDerWaalsContact CG1-CE 3.42Å; V84-M98 HydrophobicContact CG1-SD 4.14Å; V84-M98 HydrophobicContact CG2-SD 4.23Å; V84-D105 PolarHBondContact N-O 3.07Å; V84-V106 CarbonylContact O-C 3.51Å; V84-V106 WeakPolarHBondContact O-CA 3.3Å; V84-M107 PolarHBondContact O-N 3.11Å
85	M	67.8	Low	62.7	Low	80 Å²	80	39 Å²	39	39%	0.394	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.9	171.9	-168.6	176.4	-169.4	0	0	109.1	V64 T65 M66 M107	V64-M85 PolarHBondContact O-N 2.95Å; T65-M85 CarbonylContact C-O 3.52Å; T65-M85 WeakPolarHBondContact CA-O 3.4Å; T65-M85 HydrophobicContact CG2-CB 4.39Å; M66-M85 PolarHBondContact N-O 2.77Å; M85-M107 CarbonylContact C-O 3.55Å; M85-M107 WeakPolarHBondContact CA-O 3.46Å; M85-M107 HydrophobicContact CG-CB 4.37Å; M85-M107 HydrophobicContact SD-CE 4.48Å
86	I	68.8	Low	62.6	Low	1 Å²	1	37 Å²	37	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.3	177.3	-60.8	179.4	0	0	0	107.1	M66 V84 M88 A96 M98 M107 I108 S109	M66-I86 WeakPolarHBondContact O-CA 3.12Å; V84-I86 HydrophobicContact CG1-CD1 3.9Å; V84-I86 HydrophobicContact CG1-CG1 3.71Å; I86-M88 HydrophobicContact CG2-CE 3.27Å; I86-M88 HydrophobicContact CG2-CG 4.35Å; I86-M88 HydrophobicContact CG2-SD 3.39Å; I86-M88 WeakPolarHBondContact CG2-SD 3.4Å; I86-A96 HydrophobicContact CD1-CB 3.96Å; I86-M98 HydrophobicContact CD1-CE 4.01Å; I86-M107 PolarHBondContact N-O 3.32Å; I86-I108 HydrophobicContact CB-CG1 4.38Å; I86-I108 HydrophobicContact CD1-CG1 4.44Å; I86-I108 WeakPolarHBondContact O-CA 3.31Å; I86-S109 PolarHBondContact O-N 2.86Å
87	S	67.2	Low	62.6	Low	43 Å²	43	38.5 Å²	38.5	30%	0.301	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113	177.9	177.1	0	0	0	0	110	M66 S67 V68 S109	M66-S87 PolarHBondContact O-N 2.78Å; S67-S87 WeakPolarHBondContact CA-O 3.33Å; V68-S87 PolarHBondContact N-O 2.81Å; S87-S109 WeakPolarHBondContact CA-O 2.79Å
88	M	64.7	Low	62.6	Low	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.193	C	C	.	.			trans	-134.3	97.8	-174.3	-78.6	151	-164.3	0	0	111.1	M66 V68 V74 I86 R90 V94 S109 M110 P111	M66-M88 HydrophobicContact CB-CE 4.37Å; M66-M88 HydrophobicContact CE-CE 4.47Å; V68-M88 HydrophobicContact CB-CE 4.11Å; V68-M88 HydrophobicContact CB-CG 4.12Å; V68-M88 HydrophobicContact CG2-CE 3.98Å; V68-M88 WeakPolarHBondContact O-CA 3.37Å; V68-M88 WeakPolarHBondContact O-CG 3.27Å; V74-M88 HydrophobicContact CB-CE 3.88Å; V74-M88 HydrophobicContact CB-SD 3.92Å; V74-M88 HydrophobicContact CG1-CE 3.23Å; V74-M88 HydrophobicContact CG1-SD 3.91Å; V74-M88 HydrophobicContact CG2-CE 3.81Å; V74-M88 HydrophobicContact CG2-SD 3.79Å; I86-M88 HydrophobicContact CG2-CE 3.27Å; I86-M88 HydrophobicContact CG2-CG 4.35Å; I86-M88 HydrophobicContact CG2-SD 3.39Å; I86-M88 WeakPolarHBondContact CG2-SD 3.4Å; M88-R90 VanDerWaalsContact C-N 3.32Å; M88-R90 PolarHBondContact O-N 3.49Å; M88-V94 HydrophobicContact SD-CG1 3.99Å; M88-V94 HydrophobicContact SD-CG2 4.09Å; M88-S109 PolarHBondContact N-O 3.44Å; M88-S109 VanDerWaalsContact N-O 3.12Å; M88-M110 HydrophobicContact CB-CG 4.12Å; M88-M110 HydrophobicContact CB-SD 4.34Å; M88-M110 HydrophobicContact SD-SD 4.39Å; M88-P111 WeakPolarHBondContact O-CD 3.47Å
89	P	59.6	Low	62.2	Low	39 Å²	39	41.1 Å²	41.1	25%	0.253	21%	0.21	S	C	.	.	S	Bend	trans	-65.7	-28.8	-176.5	18.3	-27.7	0	0	0	114.9	V68 Q69 P111	V68-P89 WeakPolarHBondContact O-CD 3.5Å; Q69-P89 HydrophobicContact CB-CG 3.95Å; Q69-P89 HydrophobicContact CG-CG 3.66Å; P89-P111 VanDerWaalsContact CA-CD 3.49Å; P89-P111 HydrophobicContact CB-CG 4.41Å
90	R	60	Low	62.2	Low	152 Å²	152	49.8 Å²	49.8	57%	0.574	24%	0.239	S	C	*	.	S	Bend	trans	-153.4	109.6	-176.6	-62.8	-175.1	-178.5	-176.6	0.5	108.7	N70 S71 M88	N70-R90 WeakPolarHBondContact CA-O 3.41Å; N70-R90 PolarHBondContact N-O 3.18Å; S71-R90 PolarHBondContact N-O 2.82Å; M88-R90 VanDerWaalsContact C-N 3.32Å; M88-R90 PolarHBondContact O-N 3.49Å
91	C	58.1	Low	62.2	Low	16 Å²	16	46.4 Å²	46.4	11%	0.108	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.3	168.8	-64.7	0	0	0	0	111.7	S71 V94 R112 G114	S71-C91 WeakPolarHBondContact CB-SG 3.33Å; S71-C91 CarbonylContact O-C 3.55Å; S71-C91 WeakPolarHBondContact O-CA 3.28Å; S71-C91 WeakPolarHBondContact O-CB 3.43Å; C91-V94 HydrophobicContact CB-CG2 3.71Å; C91-R112 PolarHBondContact N-O 3.29Å; C91-R112 VanDerWaalsContact O-O 3.06Å; C91-G114 PolarHBondContact O-N 3.42Å
92	G	60.6	Low	62	Low	30 Å²	30	51.4 Å²	51.4	31%	0.309	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-107.4	160.9	0	0	0	0	0	108.7	S71 D72 G114	S71-G92 PolarHBondContact O-N 2.77Å; D72-G92 CarbonylContact O-C 3.44Å; D72-G92 WeakPolarHBondContact O-CA 3.36Å; D72-G92 PolarHBondContact O-N 2.81Å; G92-G114 CarbonylContact O-C 3.21Å; G92-G114 WeakPolarHBondContact O-CA 3.35Å; G92-G114 PolarHBondContact O-N 3.25Å
93	D	63.2	Low	61.8	Low	69 Å²	69	59 Å²	59	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.8	-176.4	-54.4	-37.1	0	0	0	112.5	D72 D73 V74 D115	D72-D93 PolarHBondContact O-N 2.81Å; D73-D93 VanDerWaalsContact CA-O 3.28Å; D73-D93 WeakPolarHBondContact CA-O 3.34Å; D73-D93 WeakPolarHBondContact OD1-CB 3.35Å; V74-D93 PolarHBondContact N-O 2.74Å; D93-D115 HydrophobicContact CB-CB 4.2Å; D93-D115 WeakPolarHBondContact OD1-CB 3.43Å; D93-D115 PolarHBondContact OD1-N 2.68Å
94	V	61.8	Low	61.5	Low	2 Å²	2	54.8 Å²	54.8	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	111.4	179.1	-179	0	0	0	0	110.5	V74 M88 C91 M110 D115 V116 R117	V74-V94 HydrophobicContact CB-CG1 4.26Å; V74-V94 HydrophobicContact CB-CG2 4.35Å; M88-V94 HydrophobicContact SD-CG1 3.99Å; M88-V94 HydrophobicContact SD-CG2 4.09Å; C91-V94 HydrophobicContact CB-CG2 3.71Å; V94-M110 HydrophobicContact CB-CE 4.28Å; V94-M110 HydrophobicContact CB-SD 3.82Å; V94-M110 HydrophobicContact CG1-CE 4.25Å; V94-M110 HydrophobicContact CG1-SD 3.63Å; V94-M110 HydrophobicContact CG2-SD 3.86Å; V94-D115 CarbonylContact C-O 3.37Å; V94-D115 PolarHBondContact N-O 2.96Å; V94-D115 VanDerWaalsContact O-O 3.13Å; V94-V116 CarbonylContact O-C 2.98Å; V94-V116 VanDerWaalsContact O-CA 3.29Å; V94-V116 WeakPolarHBondContact O-CA 3.39Å; V94-R117 PolarHBondContact O-N 3.38Å
95	T	64.6	Low	61.5	Low	39 Å²	39	57.2 Å²	57.2	24%	0.239	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107.6	175	-66.4	0	0	0	0	110.6	V74 I75 S76 E97 R117	V74-T95 PolarHBondContact O-N 2.96Å; I75-T95 VanDerWaalsContact CA-O 3.25Å; I75-T95 WeakPolarHBondContact CA-O 3.49Å; S76-T95 PolarHBondContact N-O 2.91Å; T95-E97 HydrophobicContact CG2-CG 3.72Å; T95-R117 HydrophobicContact CG2-CB 4.41Å
96	A	62.9	Low	61.5	Low	2 Å²	2	53.6 Å²	53.6	2%	0.017	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	101.8	174.3	0	0	0	0	0	110.1	I86 M98 I108 R117 A118 K119	I86-A96 HydrophobicContact CD1-CB 3.96Å; A96-M98 HydrophobicContact CB-CE 4.24Å; A96-I108 HydrophobicContact CB-CD1 3.69Å; A96-R117 CarbonylContact C-O 3.57Å; A96-R117 PolarHBondContact N-O 2.83Å; A96-R117 VanDerWaalsContact O-O 3.12Å; A96-A118 CarbonylContact O-C 3.28Å; A96-A118 VanDerWaalsContact O-CA 3.23Å; A96-A118 WeakPolarHBondContact O-CA 3.24Å; A96-K119 PolarHBondContact O-N 2.9Å
97	E	63.6	Low	61.5	Low	34 Å²	34	57.2 Å²	57.2	16%	0.159	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.9	178.6	-60.2	-159.4	145.8	0	0	111.6	S76 Q77 T95 W99 K119	S76-E97 CarbonylContact O-C 3.6Å; S76-E97 PolarHBondContact O-N 2.88Å; Q77-E97 VanDerWaalsContact CA-O 3.26Å; Q77-E97 WeakPolarHBondContact CA-O 3.26Å; Q77-E97 HydrophobicContact CG-CB 4.49Å; T95-E97 HydrophobicContact CG2-CG 3.72Å; E97-W99 PolarHBondContact OE2-NE1 3.12Å; E97-K119 HydrophobicContact CG-CD 4.43Å; E97-K119 IonicContact OE1-NZ 2.85Å; E97-K119 PolarHBondContact OE1-NZ 3.43Å
98	M	62.8	Low	61.7	Low	5 Å²	5	55.3 Å²	55.3	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.8	-178	-52.5	-168.9	-164	0	0	109.7	V84 I86 A96 V106 I108 K119	V84-M98 HydrophobicContact CB-CE 3.99Å; V84-M98 HydrophobicContact CB-SD 4.05Å; V84-M98 HydrophobicContact CG1-CE 3.42Å; V84-M98 VanDerWaalsContact CG1-CE 3.42Å; V84-M98 HydrophobicContact CG1-SD 4.14Å; V84-M98 HydrophobicContact CG2-SD 4.23Å; I86-M98 HydrophobicContact CD1-CE 4.01Å; A96-M98 HydrophobicContact CB-CE 4.24Å; M98-V106 HydrophobicContact CE-CB 4.48Å; M98-V106 HydrophobicContact CE-CG1 3.42Å; M98-V106 VanDerWaalsContact CE-CG1 3.42Å; M98-V106 HydrophobicContact CE-CG2 4.32Å; M98-V106 HydrophobicContact SD-CB 4.06Å; M98-V106 HydrophobicContact SD-CG1 3.56Å; M98-V106 VanDerWaalsContact SD-CG1 3.56Å; M98-V106 HydrophobicContact SD-CG2 3.3Å; M98-V106 WeakPolarHBondContact SD-CG2 3.43Å; M98-I108 HydrophobicContact CE-CD1 4.44Å; M98-K119 WeakPolarHBondContact CA-O 3.27Å; M98-K119 WeakPolarHBondContact CB-O 3.28Å; M98-K119 PolarHBondContact N-O 2.59Å; M98-K119 VanDerWaalsContact O-O 3.09Å
99	W	54.7	Low	61.9	Low	109 Å²	109	57.7 Å²	57.7	41%	0.413	27%	0.274	S	S	.	.			trans	-124.6	143.5	-172.5	-60.1	97.7	0	0	0	110.3	S78 S79 E97 R101 K119 V121	S78-W99 PolarHBondContact O-N 3.35Å; S78-W99 VanDerWaalsContact O-N 3.11Å; S79-W99 CarbonylContact C-O 3.57Å; S79-W99 WeakPolarHBondContact CA-O 3.1Å; E97-W99 PolarHBondContact OE2-NE1 3.12Å; W99-R101 VanDerWaalsContact C-N 3.31Å; W99-R101 PolarHBondContact O-N 2.88Å; W99-K119 HydrophobicContact CH2-CD 3.95Å; W99-K119 HydrophobicContact CZ2-CD 3.68Å; W99-V121 HydrophobicContact CE3-CG2 4.26Å
100	R	54.3	Low	62.1	Low	208 Å²	208	55.9 Å²	55.9	79%	0.785	26%	0.262	S	S	*	.	S	Bend	trans	56.7	32.3	168.1	-58	-174.5	174.2	-132	1.9	116.4	S79	S79-R100 CarbonylContact O-C 3.6Å; S79-R100 VanDerWaalsContact O-O 3.12Å
101	R	59	Low	62	Low	8 Å²	8	50.9 Å²	50.9	3%	0.03	25%	0.25	C	C	.	.			trans	-70.6	148.5	169.2	-173	173.2	-82.6	-171.3	-1.8	110.6	G82 W99 Y103 G104 D105 W122	G82-R101 PolarHBondContact O-NE 2.77Å; G82-R101 PolarHBondContact O-NH1 3.49Å; G82-R101 PolarHBondContact O-NH2 3.25Å; W99-R101 VanDerWaalsContact C-N 3.31Å; W99-R101 PolarHBondContact O-N 2.88Å; R101-Y103 VanDerWaalsContact CD-O 3.27Å; R101-Y103 WeakPolarHBondContact CD-O 3.47Å; R101-Y103 WeakPolarHBondContact CG-O 3.39Å; R101-G104 VanDerWaalsContact CD-O 3.29Å; R101-G104 WeakPolarHBondContact CD-O 3.41Å; R101-G104 VanDerWaalsContact NH1-C 3.27Å; R101-G104 PolarHBondContact NH1-O 3.26Å; R101-D105 PolarHBondContact NH1-O 2.81Å; R101-W122 HydrophobicContact CB-CB 4.28Å; R101-W122 WeakPolarHBondContact O-CB 3.3Å
102	Q	53	Low	61.9	Low	131 Å²	131	55.6 Å²	55.6	61%	0.612	27%	0.265	S	S	*	.	S	Bend	trans	-107	-31.5	166.7	-64.3	-179.2	-20	0	0	111.2	N81	N81-Q102 WeakPolarHBondContact OD1-CA 3.47Å; N81-Q102 WeakPolarHBondContact OD1-CB 3.38Å; N81-Q102 PolarHBondContact OD1-N 2.82Å
103	Y	58.6	Low	61.7	Low	166 Å²	166	54.4 Å²	54.4	65%	0.651	25%	0.252	S	S	*	.	S	Bend	trans	-148.6	148.7	-178.7	-58	-82.2	0	0	0	112.6	N81 G82 R101	N81-Y103 VanDerWaalsContact CA-O 3.3Å; N81-Y103 WeakPolarHBondContact CA-O 3.5Å; N81-Y103 PolarHBondContact OD1-N 3.26Å; G82-Y103 PolarHBondContact N-O 2.83Å; R101-Y103 VanDerWaalsContact CD-O 3.27Å; R101-Y103 WeakPolarHBondContact CD-O 3.47Å; R101-Y103 WeakPolarHBondContact CG-O 3.39Å
104	G	61.2	Low	61.5	Low	14 Å²	14	51.5 Å²	51.5	14%	0.144	24%	0.238	C	C	.	.			trans	118.1	147.1	170.1	0	0	0	0	0	114.1	R101	R101-G104 VanDerWaalsContact CD-O 3.29Å; R101-G104 WeakPolarHBondContact CD-O 3.41Å; R101-G104 VanDerWaalsContact NH1-C 3.27Å; R101-G104 PolarHBondContact NH1-O 3.26Å
105	D	65.7	Low	61.5	Low	53 Å²	53	55.1 Å²	55.1	28%	0.283	26%	0.258	S	S	.	.			trans	-86.5	152.9	-172.2	-44.8	-37.6	0	0	0	111.7	H83 V84 R101 D124	H83-D105 CarbonylContact C-O 3.54Å; H83-D105 VanDerWaalsContact CA-O 3.29Å; H83-D105 WeakPolarHBondContact CA-O 3.42Å; H83-D105 IonicContact CE1-OD2 3.8Å; H83-D105 PolarHBondContact CE1-OD2 2.89Å; H83-D105 PolarHBondContact ND1-N 2.77Å; H83-D105 IonicContact ND1-OD2 3.87Å; H83-D105 PolarHBondContact ND1-OD2 2.81Å; V84-D105 PolarHBondContact N-O 3.07Å; R101-D105 PolarHBondContact NH1-O 2.81Å; D105-D124 CarbonylContact C-O 3.47Å; D105-D124 WeakPolarHBondContact CA-O 3.37Å; D105-D124 HydrophobicContact CB-CB 4.37Å
106	V	66.4	Low	61.2	Low	3 Å²	3	53.4 Å²	53.4	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.9	174.5	178.7	0	0	0	0	107.4	V84 M98 I108 D124 V125 M126	V84-V106 CarbonylContact O-C 3.51Å; V84-V106 WeakPolarHBondContact O-CA 3.3Å; M98-V106 HydrophobicContact CE-CB 4.48Å; M98-V106 HydrophobicContact CE-CG1 3.42Å; M98-V106 VanDerWaalsContact CE-CG1 3.42Å; M98-V106 HydrophobicContact CE-CG2 4.32Å; M98-V106 HydrophobicContact SD-CB 4.06Å; M98-V106 HydrophobicContact SD-CG1 3.56Å; M98-V106 VanDerWaalsContact SD-CG1 3.56Å; M98-V106 HydrophobicContact SD-CG2 3.3Å; M98-V106 WeakPolarHBondContact SD-CG2 3.43Å; V106-I108 HydrophobicContact CG1-CD1 4.12Å; V106-I108 HydrophobicContact CG1-CG1 3.97Å; V106-D124 PolarHBondContact N-O 2.03Å; V106-V125 HydrophobicContact CB-CG1 4.46Å; V106-V125 HydrophobicContact CB-CG2 4.33Å; V106-M126 PolarHBondContact O-N 3.09Å
107	M	70.4	Confident	61.3	Low	77 Å²	77	59 Å²	59	38%	0.379	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.1	172.5	-73	-173.2	-74.2	0	0	109.2	V84 M85 I86 M126	V84-M107 PolarHBondContact O-N 3.11Å; M85-M107 CarbonylContact C-O 3.55Å; M85-M107 WeakPolarHBondContact CA-O 3.46Å; M85-M107 HydrophobicContact CG-CB 4.37Å; M85-M107 HydrophobicContact SD-CE 4.48Å; I86-M107 PolarHBondContact N-O 3.32Å; M107-M126 WeakPolarHBondContact CA-O 2.82Å; M107-M126 HydrophobicContact CG-CB 4.25Å
108	I	69.6	Low	61.2	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.4	174.1	-57.7	175.9	0	0	0	107	I86 A96 M98 V106 M110 A118 M126 I127 S128	I86-I108 HydrophobicContact CB-CG1 4.38Å; I86-I108 HydrophobicContact CD1-CG1 4.44Å; I86-I108 WeakPolarHBondContact O-CA 3.31Å; A96-I108 HydrophobicContact CB-CD1 3.69Å; M98-I108 HydrophobicContact CE-CD1 4.44Å; V106-I108 HydrophobicContact CG1-CD1 4.12Å; V106-I108 HydrophobicContact CG1-CG1 3.97Å; I108-M110 HydrophobicContact CG2-CE 3.47Å; I108-M110 VanDerWaalsContact CG2-CE 3.47Å; I108-M110 HydrophobicContact CG2-CG 3.91Å; I108-M110 HydrophobicContact CG2-SD 3.83Å; I108-A118 HydrophobicContact CD1-CB 4.11Å; I108-M126 PolarHBondContact N-O 3.32Å; I108-I127 HydrophobicContact CD1-CG1 4.43Å; I108-S128 PolarHBondContact O-N 2.78Å
109	S	69.5	Low	61.2	Low	51 Å²	51	59 Å²	59	36%	0.357	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	111	179.3	176.9	0	0	0	0	110.3	I86 S87 M88	I86-S109 PolarHBondContact O-N 2.86Å; S87-S109 WeakPolarHBondContact CA-O 2.79Å; M88-S109 PolarHBondContact N-O 3.44Å; M88-S109 VanDerWaalsContact N-O 3.12Å
110	M	64.5	Low	61.6	Low	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	108	-173.2	-57.4	-171.3	-62.8	0	0	110.7	M88 V94 I108 P113 V116 S128 L129 T130	M88-M110 HydrophobicContact CB-CG 4.12Å; M88-M110 HydrophobicContact CB-SD 4.34Å; M88-M110 HydrophobicContact SD-SD 4.39Å; V94-M110 HydrophobicContact CB-CE 4.28Å; V94-M110 HydrophobicContact CB-SD 3.82Å; V94-M110 HydrophobicContact CG1-CE 4.25Å; V94-M110 HydrophobicContact CG1-SD 3.63Å; V94-M110 HydrophobicContact CG2-SD 3.86Å; I108-M110 HydrophobicContact CG2-CE 3.47Å; I108-M110 VanDerWaalsContact CG2-CE 3.47Å; I108-M110 HydrophobicContact CG2-CG 3.91Å; I108-M110 HydrophobicContact CG2-SD 3.83Å; M110-P113 HydrophobicContact CB-CB 4.08Å; M110-P113 HydrophobicContact CB-CG 3.71Å; M110-P113 HydrophobicContact CE-CB 4.07Å; M110-P113 HydrophobicContact CE-CG 4.12Å; M110-P113 HydrophobicContact SD-CB 4.17Å; M110-V116 HydrophobicContact CE-CB 3.99Å; M110-V116 HydrophobicContact CE-CG1 3.47Å; M110-V116 VanDerWaalsContact CE-CG1 3.47Å; M110-V116 HydrophobicContact CE-CG2 3.25Å; M110-S128 PolarHBondContact N-O 2.77Å; M110-L129 HydrophobicContact CB-CD2 3.98Å; M110-L129 HydrophobicContact CE-CD2 3.42Å; M110-L129 VanDerWaalsContact CE-CD2 3.42Å; M110-L129 WeakPolarHBondContact O-CA 3.22Å; M110-T130 PolarHBondContact O-N 3.06Å
111	P	57.7	Low	61.6	Low	48 Å²	48	45.2 Å²	45.2	31%	0.312	22%	0.219	S	C	.	.	S	Bend	trans	-71.9	-31.4	177	-16.2	30.8	0	0	0	113.8	M88 P89 R131	M88-P111 WeakPolarHBondContact O-CD 3.47Å; P89-P111 VanDerWaalsContact CA-CD 3.49Å; P89-P111 HydrophobicContact CB-CG 4.41Å; P111-R131 WeakPolarHBondContact O-CB 3.36Å; P111-R131 PolarHBondContact O-N 2.79Å
112	R	56.6	Low	61.4	Low	114 Å²	114	47.8 Å²	47.8	43%	0.43	23%	0.229	S	C	.	.	S	Bend	trans	-147.6	67.2	-177.6	-56.6	-172	87.8	-170.8	4.2	112.9	C91 R131	C91-R112 PolarHBondContact N-O 3.29Å; C91-R112 VanDerWaalsContact O-O 3.06Å; R112-R131 VanDerWaalsContact CA-O 3.23Å; R112-R131 WeakPolarHBondContact CA-O 3.15Å; R112-R131 HydrophobicContact CG-CB 4.44Å
113	P	56.1	Low	62	Low	6 Å²	6	42 Å²	42	4%	0.039	21%	0.205	C	C	.	.			trans	-85.4	149.6	165.7	35.2	-33.9	0	0	0	110.5	M110 V116 L129 R131 C132	M110-P113 HydrophobicContact CB-CB 4.08Å; M110-P113 HydrophobicContact CB-CG 3.71Å; M110-P113 HydrophobicContact CE-CB 4.07Å; M110-P113 HydrophobicContact CE-CG 4.12Å; M110-P113 HydrophobicContact SD-CB 4.17Å; P113-V116 HydrophobicContact CB-CG2 3.51Å; P113-V116 HydrophobicContact CG-CG2 3.48Å; P113-V116 VanDerWaalsContact CG-CG2 3.48Å; P113-L129 HydrophobicContact CG-CD2 4.19Å; P113-R131 VanDerWaalsContact CD-O 3.24Å; P113-R131 WeakPolarHBondContact CD-O 3.13Å; P113-C132 HydrophobicContact CG-CB 4.2Å; P113-C132 WeakPolarHBondContact O-CA 3.31Å; P113-C132 WeakPolarHBondContact O-CB 3.23Å
114	G	59.1	Low	62.4	Low	8 Å²	8	37.3 Å²	37.3	8%	0.082	19%	0.191	C	C	.	.	S	Bend	trans	-68.7	-130.8	147.4	0	0	0	0	0	110	C91 G92 V116	C91-G114 PolarHBondContact O-N 3.42Å; G92-G114 CarbonylContact O-C 3.21Å; G92-G114 WeakPolarHBondContact O-CA 3.35Å; G92-G114 PolarHBondContact O-N 3.25Å; G114-V116 PolarHBondContact O-N 3.36Å
115	D	60.6	Low	62.8	Low	78 Å²	78	36.9 Å²	36.9	42%	0.417	19%	0.185	S	C	.	.	S	Bend	trans	-69.4	114.7	-170	-75.1	-0.2	0	0	0	112.2	D93 V94 D134	D93-D115 HydrophobicContact CB-CB 4.2Å; D93-D115 WeakPolarHBondContact OD1-CB 3.43Å; D93-D115 PolarHBondContact OD1-N 2.68Å; V94-D115 CarbonylContact C-O 3.37Å; V94-D115 PolarHBondContact N-O 2.96Å; V94-D115 VanDerWaalsContact O-O 3.13Å; D115-D134 WeakPolarHBondContact CA-O 3.24Å; D115-D134 WeakPolarHBondContact OD1-CB 3.43Å
116	V	59.2	Low	63.1	Low	2 Å²	2	38.2 Å²	38.2	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.3	174.6	-176.6	0	0	0	0	109.9	V94 M110 P113 G114 L129 T136	V94-V116 CarbonylContact O-C 2.98Å; V94-V116 VanDerWaalsContact O-CA 3.29Å; V94-V116 WeakPolarHBondContact O-CA 3.39Å; M110-V116 HydrophobicContact CE-CB 3.99Å; M110-V116 HydrophobicContact CE-CG1 3.47Å; M110-V116 VanDerWaalsContact CE-CG1 3.47Å; M110-V116 HydrophobicContact CE-CG2 3.25Å; P113-V116 HydrophobicContact CB-CG2 3.51Å; P113-V116 HydrophobicContact CG-CG2 3.48Å; P113-V116 VanDerWaalsContact CG-CG2 3.48Å; G114-V116 PolarHBondContact O-N 3.36Å; V116-L129 HydrophobicContact CB-CD1 4.1Å; V116-L129 HydrophobicContact CG1-CD1 4.33Å; V116-L129 HydrophobicContact CG1-CD2 4.39Å; V116-L129 HydrophobicContact CG2-CD1 3.91Å; V116-L129 HydrophobicContact CG2-CD2 3.98Å; V116-T136 CarbonylContact C-O 3.56Å; V116-T136 CarbonylContact O-C 3.57Å; V116-T136 VanDerWaalsContact O-C 3.25Å; V116-T136 VanDerWaalsContact O-CA 3.26Å; V116-T136 WeakPolarHBondContact O-CA 3.45Å; V116-T136 WeakPolarHBondContact O-CB 3.48Å; V116-T136 PolarHBondContact O-N 2.92Å
117	R	64.4	Low	63.5	Low	119 Å²	119	38 Å²	38	45%	0.449	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	107.5	166.2	-166.2	177.2	-77.2	153.6	-2.1	110.8	V94 T95 A96 T136	V94-R117 PolarHBondContact O-N 3.38Å; T95-R117 HydrophobicContact CG2-CB 4.41Å; A96-R117 CarbonylContact C-O 3.57Å; A96-R117 PolarHBondContact N-O 2.83Å; A96-R117 VanDerWaalsContact O-O 3.12Å; R117-T136 VanDerWaalsContact CA-O 3.31Å; R117-T136 WeakPolarHBondContact CA-O 3.23Å
118	A	62.3	Low	63.6	Low	5 Å²	5	36.2 Å²	36.2	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.5	175.8	0	0	0	0	0	110.5	A96 I108 I127 T136 E138	A96-A118 CarbonylContact O-C 3.28Å; A96-A118 VanDerWaalsContact O-CA 3.23Å; A96-A118 WeakPolarHBondContact O-CA 3.24Å; I108-A118 HydrophobicContact CD1-CB 4.11Å; A118-I127 HydrophobicContact CB-CD1 3.53Å; A118-I127 HydrophobicContact CB-CG1 4.43Å; A118-T136 PolarHBondContact N-O 2.98Å; A118-E138 CarbonylContact O-C 3.25Å; A118-E138 VanDerWaalsContact O-C 3.25Å; A118-E138 WeakPolarHBondContact O-CA 3.29Å; A118-E138 PolarHBondContact O-N 2.82Å
119	K	62.3	Low	63.7	Low	35 Å²	35	36.1 Å²	36.1	15%	0.152	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.8	169.6	-69.6	176.6	-171.1	152.5	0	110.6	A96 E97 M98 W99 E138	A96-K119 PolarHBondContact O-N 2.9Å; E97-K119 HydrophobicContact CG-CD 4.43Å; E97-K119 IonicContact OE1-NZ 2.85Å; E97-K119 PolarHBondContact OE1-NZ 3.43Å; M98-K119 WeakPolarHBondContact CA-O 3.27Å; M98-K119 WeakPolarHBondContact CB-O 3.28Å; M98-K119 PolarHBondContact N-O 2.59Å; M98-K119 VanDerWaalsContact O-O 3.09Å; W99-K119 HydrophobicContact CH2-CD 3.95Å; W99-K119 HydrophobicContact CZ2-CD 3.68Å; K119-E138 VanDerWaalsContact CA-O 3.28Å; K119-E138 WeakPolarHBondContact CA-O 3.17Å; K119-E138 WeakPolarHBondContact CE-OE2 3.21Å; K119-E138 HydrophobicContact CG-CB 4.37Å
120	S	62.9	Low	63.5	Low	5 Å²	5	36.8 Å²	36.8	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149	175.6	-175.5	0	0	0	0	111.5	V125 K140	S120-V125 WeakPolarHBondContact OG-CG2 3.07Å; S120-K140 CarbonylContact O-C 3.55Å; S120-K140 PolarHBondContact O-N 3.39Å; S120-K140 VanDerWaalsContact O-O 3.05Å
121	V	55.3	Low	63.5	Low	23 Å²	23	42.9 Å²	42.9	14%	0.139	21%	0.209	C	C	.	.	S	Bend	trans	-114.9	-24.7	-178	-165.6	0	0	0	0	111.7	W99 R141 F142	W99-V121 HydrophobicContact CE3-CG2 4.26Å; V121-R141 CarbonylContact C-O 3.56Å; V121-R141 WeakPolarHBondContact CA-O 3.39Å; V121-R141 VanDerWaalsContact CG1-O 3.24Å; V121-R141 WeakPolarHBondContact CG1-O 3.06Å; V121-F142 WeakPolarHBondContact O-CA 3.49Å
122	W	55	Low	63.8	Low	61 Å²	61	40.9 Å²	40.9	23%	0.231	20%	0.196	C	C	.	.	S	Bend	trans	-160.4	145.3	-173.4	-65.9	85.9	0	0	0	113.9	R101 Q143	R101-W122 HydrophobicContact CB-CB 4.28Å; R101-W122 WeakPolarHBondContact O-CB 3.3Å; W122-Q143 HydrophobicContact CD2-CB 4.11Å; W122-Q143 HydrophobicContact CE3-CB 3.68Å; W122-Q143 HydrophobicContact CH2-CB 3.36Å; W122-Q143 HydrophobicContact CH2-CG 3.62Å; W122-Q143 HydrophobicContact CZ2-CB 3.76Å; W122-Q143 HydrophobicContact CZ2-CG 3.59Å; W122-Q143 VanDerWaalsContact CZ2-OE1 3.3Å; W122-Q143 HydrophobicContact CZ3-CB 3.3Å; W122-Q143 HydrophobicContact CZ3-CG 4.1Å
123	G	64.7	Low	64.1	Low	10 Å²	10	40.7 Å²	40.7	10%	0.103	20%	0.204	C	C	.	.	S	Bend	trans	94.6	167.9	179	0	0	0	0	0	114.9	V125 F142 N144	G123-V125 PolarHBondContact O-N 3.45Å; G123-F142 WeakPolarHBondContact O-CE2 3.5Å; G123-F142 WeakPolarHBondContact O-CZ 3.24Å; G123-N144 PolarHBondContact N-O 2.7Å
124	D	67.5	Low	64.5	Low	68 Å²	68	43.2 Å²	43.2	36%	0.364	22%	0.217	S	C	.	.			trans	-64.4	129.9	179.8	-61.3	-17.3	0	0	0	110.2	D105 V106 G145 D146	D105-D124 CarbonylContact C-O 3.47Å; D105-D124 WeakPolarHBondContact CA-O 3.37Å; D105-D124 HydrophobicContact CB-CB 4.37Å; V106-D124 PolarHBondContact N-O 2.03Å; D124-G145 VanDerWaalsContact OD1-C 3.3Å; D124-G145 WeakPolarHBondContact OD1-CA 3.46Å; D124-D146 CarbonylContact C-O 3.54Å; D124-D146 VanDerWaalsContact CA-O 3.25Å; D124-D146 WeakPolarHBondContact CA-O 3.15Å; D124-D146 PolarHBondContact OD1-N 2.92Å
125	V	69.6	Low	64.7	Low	4 Å²	4	42.9 Å²	42.9	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.9	179.8	-179.7	0	0	0	0	108.7	V106 S120 G123 I127 D146 V147 M148	V106-V125 HydrophobicContact CB-CG1 4.46Å; V106-V125 HydrophobicContact CB-CG2 4.33Å; S120-V125 WeakPolarHBondContact OG-CG2 3.07Å; G123-V125 PolarHBondContact O-N 3.45Å; V125-I127 HydrophobicContact CG1-CD1 4.02Å; V125-I127 HydrophobicContact CG1-CG1 3.93Å; V125-D146 PolarHBondContact N-O 2.99Å; V125-V147 HydrophobicContact CB-CG1 4.46Å; V125-V147 HydrophobicContact CB-CG2 4.36Å; V125-V147 CarbonylContact O-C 3.55Å; V125-V147 WeakPolarHBondContact O-CA 3.03Å; V125-M148 PolarHBondContact O-N 3.32Å
126	M	72.3	Confident	64.9	Low	81 Å²	81	41.4 Å²	41.4	40%	0.399	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.1	171.8	-167.9	175.5	-58.6	0	0	110.6	V106 M107 I108 M148	V106-M126 PolarHBondContact O-N 3.09Å; M107-M126 WeakPolarHBondContact CA-O 2.82Å; M107-M126 HydrophobicContact CG-CB 4.25Å; I108-M126 PolarHBondContact N-O 3.32Å; M126-M148 CarbonylContact C-O 3.36Å; M126-M148 VanDerWaalsContact CA-O 3.26Å; M126-M148 WeakPolarHBondContact CA-O 3.31Å; M126-M148 HydrophobicContact CE-CE 3.57Å; M126-M148 HydrophobicContact CE-SD 4.04Å; M126-M148 HydrophobicContact CG-CB 4.31Å; M126-M148 HydrophobicContact CG-CE 4.49Å; M126-M148 HydrophobicContact SD-CE 4.24Å
127	I	74	Confident	65.2	Low	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.5	174.7	-58.7	170.3	0	0	0	107.4	I108 A118 V125 L129 A137 M148 T149 S150	I108-I127 HydrophobicContact CD1-CG1 4.43Å; A118-I127 HydrophobicContact CB-CD1 3.53Å; A118-I127 HydrophobicContact CB-CG1 4.43Å; V125-I127 HydrophobicContact CG1-CD1 4.02Å; V125-I127 HydrophobicContact CG1-CG1 3.93Å; I127-L129 HydrophobicContact CG2-CD1 4.25Å; I127-L129 HydrophobicContact CG2-CD2 3.91Å; I127-L129 HydrophobicContact CG2-CG 3.87Å; I127-A137 HydrophobicContact CD1-CB 3.95Å; I127-M148 PolarHBondContact N-O 2.88Å; I127-T149 HydrophobicContact CB-CG2 4.35Å; I127-T149 CarbonylContact O-C 3.44Å; I127-T149 WeakPolarHBondContact O-CA 3.32Å; I127-S150 PolarHBondContact O-N 3.1Å
128	S	73.5	Confident	65.1	Low	39 Å²	39	36.7 Å²	36.7	27%	0.273	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	107.1	177.8	179.5	0	0	0	0	110.4	I108 M110 S150	I108-S128 PolarHBondContact O-N 2.78Å; M110-S128 PolarHBondContact N-O 2.77Å; S128-S150 CarbonylContact C-O 3.6Å; S128-S150 WeakPolarHBondContact CA-O 3.25Å
129	L	69.8	Low	65.2	Low	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.8	179.4	-47.6	-176.9	0	0	0	109.5	M110 P113 V116 I127 A135 S150 I151 R152	M110-L129 HydrophobicContact CB-CD2 3.98Å; M110-L129 HydrophobicContact CE-CD2 3.42Å; M110-L129 VanDerWaalsContact CE-CD2 3.42Å; M110-L129 WeakPolarHBondContact O-CA 3.22Å; P113-L129 HydrophobicContact CG-CD2 4.19Å; V116-L129 HydrophobicContact CB-CD1 4.1Å; V116-L129 HydrophobicContact CG1-CD1 4.33Å; V116-L129 HydrophobicContact CG1-CD2 4.39Å; V116-L129 HydrophobicContact CG2-CD1 3.91Å; V116-L129 HydrophobicContact CG2-CD2 3.98Å; I127-L129 HydrophobicContact CG2-CD1 4.25Å; I127-L129 HydrophobicContact CG2-CD2 3.91Å; I127-L129 HydrophobicContact CG2-CG 3.87Å; L129-A135 HydrophobicContact CD1-CB 3.41Å; L129-A135 VanDerWaalsContact CD1-CB 3.41Å; L129-S150 PolarHBondContact N-O 2.8Å; L129-I151 HydrophobicContact CB-CG1 4.25Å; L129-I151 HydrophobicContact CB-CG2 4.26Å; L129-I151 HydrophobicContact CD1-CD1 4.24Å; L129-I151 HydrophobicContact CD1-CG1 4Å; L129-I151 HydrophobicContact CG-CG1 4.19Å; L129-I151 CarbonylContact O-C 3.43Å; L129-I151 WeakPolarHBondContact O-CA 3.48Å; L129-R152 PolarHBondContact O-N 2.98Å
130	T	66.9	Low	65.1	Low	66 Å²	66	39 Å²	39	41%	0.405	20%	0.201	S	C	.	.	S	Bend	trans	-107.7	-28.5	-174.8	-46.6	0	0	0	0	115.2	M110 R152	M110-T130 PolarHBondContact O-N 3.06Å; T130-R152 CarbonylContact C-O 3.52Å; T130-R152 CarbonylContact O-C 3.57Å
131	R	63.8	Low	64.7	Low	128 Å²	128	45.9 Å²	45.9	48%	0.483	23%	0.226	S	C	.	.	S	Bend	trans	-154.2	117.3	170	-79.9	-178.4	66.8	171.3	1.7	108	P111 R112 P113 R152 R153	P111-R131 WeakPolarHBondContact O-CB 3.36Å; P111-R131 PolarHBondContact O-N 2.79Å; R112-R131 VanDerWaalsContact CA-O 3.23Å; R112-R131 WeakPolarHBondContact CA-O 3.15Å; R112-R131 HydrophobicContact CG-CB 4.44Å; P113-R131 VanDerWaalsContact CD-O 3.24Å; P113-R131 WeakPolarHBondContact CD-O 3.13Å; R131-R152 PolarHBondContact N-O 3.32Å; R131-R153 VanDerWaalsContact CA-O 3.31Å; R131-R153 WeakPolarHBondContact CA-O 3.26Å; R131-R153 HydrophobicContact CG-CB 4.1Å
132	C	63.6	Low	64.9	Low	6 Å²	6	45.3 Å²	45.3	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.6	171.1	1.7	0	0	0	0	110	P113 A135 R153 C154	P113-C132 HydrophobicContact CG-CB 4.2Å; P113-C132 WeakPolarHBondContact O-CA 3.31Å; P113-C132 WeakPolarHBondContact O-CB 3.23Å; C132-A135 HydrophobicContact CB-CB 4.36Å; C132-A135 VanDerWaalsContact SG-CB 3.52Å; C132-R153 PolarHBondContact N-O 2.03Å; C132-C154 VanDerWaalsContact CA-SG 3.59Å; C132-C154 HydrophobicContact CB-CB 3.7Å; C132-C154 WeakPolarHBondContact CB-SG 3.12Å; C132-C154 PolarHBondContact N-SG 3.1Å; C132-C154 VanDerWaalsContact O-CA 3.31Å; C132-C154 WeakPolarHBondContact O-CA 3.33Å; C132-C154 WeakPolarHBondContact SG-CB 3.44Å; C132-C154 CovalentContact SG-SG 2.03Å; C132-C154 PolarHBondContact SG-SG 3.44Å
133	D	63.5	Low	65	Low	109 Å²	109	44.9 Å²	44.9	58%	0.583	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	-66.7	159.8	-63.6	-18.4	0	0	0	106	D155 D156	D133-D155 WeakPolarHBondContact O-CB 3.26Å; D133-D155 PolarHBondContact O-N 2.95Å; D133-D156 PolarHBondContact O-N 3.03Å
134	D	63.7	Low	64.8	Low	59 Å²	59	48.8 Å²	48.8	32%	0.316	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.6	172.8	-54.3	-38	0	0	0	113.2	D115 D156	D115-D134 WeakPolarHBondContact CA-O 3.24Å; D115-D134 WeakPolarHBondContact OD1-CB 3.43Å; D134-D156 CarbonylContact C-O 3.54Å; D134-D156 WeakPolarHBondContact CA-O 3.31Å; D134-D156 HydrophobicContact CB-CB 4.48Å; D134-D156 WeakPolarHBondContact OD1-CB 3.45Å
135	A	64	Low	64.7	Low	1 Å²	1	46.4 Å²	46.4	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	117.9	177.6	0	0	0	0	0	113.4	L129 C132 I151 D156 V157 T158	L129-A135 HydrophobicContact CD1-CB 3.41Å; L129-A135 VanDerWaalsContact CD1-CB 3.41Å; C132-A135 HydrophobicContact CB-CB 4.36Å; C132-A135 VanDerWaalsContact SG-CB 3.52Å; A135-I151 HydrophobicContact CB-CD1 4.42Å; A135-D156 PolarHBondContact N-O 2.85Å; A135-V157 HydrophobicContact CB-CG2 4.49Å; A135-V157 CarbonylContact O-C 3.59Å; A135-V157 VanDerWaalsContact O-CA 3.3Å; A135-V157 WeakPolarHBondContact O-CA 3.31Å; A135-T158 PolarHBondContact O-N 3.48Å
136	T	65.2	Low	64.7	Low	47 Å²	47	49.6 Å²	49.6	29%	0.288	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	104.1	173.9	-57.3	0	0	0	0	111.6	V116 R117 A118 T158	V116-T136 CarbonylContact C-O 3.56Å; V116-T136 CarbonylContact O-C 3.57Å; V116-T136 VanDerWaalsContact O-C 3.25Å; V116-T136 VanDerWaalsContact O-CA 3.26Å; V116-T136 WeakPolarHBondContact O-CA 3.45Å; V116-T136 WeakPolarHBondContact O-CB 3.48Å; V116-T136 PolarHBondContact O-N 2.92Å; R117-T136 VanDerWaalsContact CA-O 3.31Å; R117-T136 WeakPolarHBondContact CA-O 3.23Å; A118-T136 PolarHBondContact N-O 2.98Å; T136-T158 CarbonylContact C-O 3.56Å; T136-T158 VanDerWaalsContact CA-O 3.28Å; T136-T158 WeakPolarHBondContact CA-O 3.4Å; T136-T158 HydrophobicContact CG2-CG2 4.41Å
137	A	64.1	Low	64.5	Low	3 Å²	3	45.9 Å²	45.9	3%	0.025	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.7	171.4	0	0	0	0	0	109.7	I127 T149 T158 A159 E160	I127-A137 HydrophobicContact CD1-CB 3.95Å; A137-T149 HydrophobicContact CB-CG2 4.21Å; A137-T158 PolarHBondContact N-O 2.75Å; A137-A159 CarbonylContact O-C 3.45Å; A137-A159 VanDerWaalsContact O-CA 3.27Å; A137-A159 WeakPolarHBondContact O-CA 3.48Å; A137-E160 PolarHBondContact O-N 2.85Å
138	E	63.8	Low	64.4	Low	20 Å²	20	50 Å²	50	9%	0.093	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	98.6	-178.2	-173.6	-177.2	-166.7	0	0	111.8	A118 K119 K140 E160	A118-E138 CarbonylContact O-C 3.25Å; A118-E138 VanDerWaalsContact O-C 3.25Å; A118-E138 WeakPolarHBondContact O-CA 3.29Å; A118-E138 PolarHBondContact O-N 2.82Å; K119-E138 VanDerWaalsContact CA-O 3.28Å; K119-E138 WeakPolarHBondContact CA-O 3.17Å; K119-E138 WeakPolarHBondContact CE-OE2 3.21Å; K119-E138 HydrophobicContact CG-CB 4.37Å; E138-K140 HydrophobicContact CG-CD 4.3Å; E138-K140 HydrophobicContact CG-CG 4.2Å; E138-K140 PolarHBondContact O-N 3.04Å; E138-K140 VanDerWaalsContact OE1-CD 3.22Å; E138-K140 WeakPolarHBondContact OE1-CD 3.43Å; E138-K140 WeakPolarHBondContact OE1-CE 3.32Å; E138-K140 IonicContact OE1-NZ 2.77Å; E138-K140 PolarHBondContact OE1-NZ 2.85Å; E138-K140 IonicContact OE2-NZ 2.59Å; E138-E160 CarbonylContact C-O 3.57Å; E138-E160 VanDerWaalsContact CA-O 3.3Å; E138-E160 WeakPolarHBondContact CA-O 3.39Å; E138-E160 HydrophobicContact CG-CB 4.27Å
139	V	63.3	Low	64.3	Low	6 Å²	6	48.4 Å²	48.4	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105.9	176.9	-173	0	0	0	0	110.3	F142 V147 E160 M161 W162	V139-F142 HydrophobicContact CG1-CB 4.42Å; V139-F142 HydrophobicContact CG1-CD2 4.49Å; V139-V147 HydrophobicContact CG1-CG2 4.1Å; V139-V147 HydrophobicContact CG2-CG1 3.91Å; V139-E160 PolarHBondContact N-O 3.42Å; V139-M161 HydrophobicContact CB-CG 4.18Å; V139-M161 CarbonylContact O-C 2.92Å; V139-M161 VanDerWaalsContact O-CA 3.27Å; V139-M161 WeakPolarHBondContact O-CA 3.14Å; V139-W162 PolarHBondContact O-N 3.44Å
140	K	60.3	Low	64.4	Low	83 Å²	83	50 Å²	50	36%	0.361	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.8	-176.4	-95.8	174.2	163.1	153.6	0	111.8	S120 E138 W162	S120-K140 CarbonylContact O-C 3.55Å; S120-K140 PolarHBondContact O-N 3.39Å; S120-K140 VanDerWaalsContact O-O 3.05Å; E138-K140 HydrophobicContact CG-CD 4.3Å; E138-K140 HydrophobicContact CG-CG 4.2Å; E138-K140 PolarHBondContact O-N 3.04Å; E138-K140 VanDerWaalsContact OE1-CD 3.22Å; E138-K140 WeakPolarHBondContact OE1-CD 3.43Å; E138-K140 WeakPolarHBondContact OE1-CE 3.32Å; E138-K140 IonicContact OE1-NZ 2.77Å; E138-K140 PolarHBondContact OE1-NZ 2.85Å; E138-K140 IonicContact OE2-NZ 2.59Å; K140-W162 HydrophobicContact CG-CB 4.3Å; K140-W162 HydrophobicContact CG-CG 4.16Å
141	R	55.2	Low	64.6	Low	148 Å²	148	46.9 Å²	46.9	56%	0.558	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	61.4	95.7	171.5	-172.2	-179.4	-170.8	159.3	0.4	112.1	V121 W162	V121-R141 CarbonylContact C-O 3.56Å; V121-R141 WeakPolarHBondContact CA-O 3.39Å; V121-R141 VanDerWaalsContact CG1-O 3.24Å; V121-R141 WeakPolarHBondContact CG1-O 3.06Å; R141-W162 WeakPolarHBondContact CA-O 3.25Å; R141-W162 PolarHBondContact N-O 2.98Å
142	F	59.7	Low	64.6	Low	11 Å²	11	48.7 Å²	48.7	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.4	-174.7	-169.1	-92.4	0	0	0	111.6	V121 G123 V139 N144 G145 R163 Q165	V121-F142 WeakPolarHBondContact O-CA 3.49Å; G123-F142 WeakPolarHBondContact O-CE2 3.5Å; G123-F142 WeakPolarHBondContact O-CZ 3.24Å; V139-F142 HydrophobicContact CG1-CB 4.42Å; V139-F142 HydrophobicContact CG1-CD2 4.49Å; F142-N144 VanDerWaalsContact CE1-O 3.29Å; F142-N144 WeakPolarHBondContact CE1-O 3.39Å; F142-N144 WeakPolarHBondContact CZ-O 3.32Å; F142-G145 WeakPolarHBondContact CE1-O 3.26Å; F142-G145 VanDerWaalsContact CZ-N 3.29Å; F142-G145 VanDerWaalsContact CZ-O 3.3Å; F142-G145 WeakPolarHBondContact CZ-O 3.28Å; F142-R163 PolarHBondContact N-O 3.21Å; F142-Q165 PolarHBondContact O-N 2.82Å; F142-Q165 VanDerWaalsContact O-N 3.08Å
143	Q	56.7	Low	64.7	Low	52 Å²	52	57.5 Å²	57.5	24%	0.243	27%	0.271	C	S	.	.			trans	-95.7	-44.7	-178.7	-67.7	-169.4	29.7	0	0	113	W122 Q165 Y166	W122-Q143 HydrophobicContact CD2-CB 4.11Å; W122-Q143 HydrophobicContact CE3-CB 3.68Å; W122-Q143 HydrophobicContact CH2-CB 3.36Å; W122-Q143 HydrophobicContact CH2-CG 3.62Å; W122-Q143 HydrophobicContact CZ2-CB 3.76Å; W122-Q143 HydrophobicContact CZ2-CG 3.59Å; W122-Q143 VanDerWaalsContact CZ2-OE1 3.3Å; W122-Q143 HydrophobicContact CZ3-CB 3.3Å; W122-Q143 HydrophobicContact CZ3-CG 4.1Å; Q143-Q165 HydrophobicContact CG-CG 4.46Å; Q143-Y166 WeakPolarHBondContact O-CB 3.06Å; Q143-Y166 PolarHBondContact O-N 2.9Å
144	N	61.1	Low	64.7	Low	92 Å²	92	52.6 Å²	52.6	49%	0.492	25%	0.245	S	C	.	.	S	Bend	trans	-148.3	130	-175.7	-80.3	2	0	0	0	114.2	G123 F142 Y166	G123-N144 PolarHBondContact N-O 2.7Å; F142-N144 VanDerWaalsContact CE1-O 3.29Å; F142-N144 WeakPolarHBondContact CE1-O 3.39Å; F142-N144 WeakPolarHBondContact CZ-O 3.32Å; N144-Y166 WeakPolarHBondContact OD1-CD2 3.1Å
145	G	65	Low	64.8	Low	19 Å²	19	54.3 Å²	54.3	20%	0.196	26%	0.255	C	S	.	.	S	Bend	trans	121.1	172.8	-179.6	0	0	0	0	0	116.3	D124 F142 G167	D124-G145 VanDerWaalsContact OD1-C 3.3Å; D124-G145 WeakPolarHBondContact OD1-CA 3.46Å; F142-G145 WeakPolarHBondContact CE1-O 3.26Å; F142-G145 VanDerWaalsContact CZ-N 3.29Å; F142-G145 VanDerWaalsContact CZ-O 3.3Å; F142-G145 WeakPolarHBondContact CZ-O 3.28Å; G145-G167 CarbonylContact O-C 3.25Å; G145-G167 VanDerWaalsContact O-CA 3.23Å; G145-G167 WeakPolarHBondContact O-CA 2.96Å
146	D	68.2	Low	64.8	Low	70 Å²	70	58.8 Å²	58.8	37%	0.374	28%	0.278	S	S	.	.			trans	-100.6	135.1	-174.4	-62.7	-28	0	0	0	111.8	D124 V125 D168	D124-D146 CarbonylContact C-O 3.54Å; D124-D146 VanDerWaalsContact CA-O 3.25Å; D124-D146 WeakPolarHBondContact CA-O 3.15Å; D124-D146 PolarHBondContact OD1-N 2.92Å; V125-D146 PolarHBondContact N-O 2.99Å; D146-D168 CarbonylContact C-O 3.47Å; D146-D168 VanDerWaalsContact CA-O 3.26Å; D146-D168 WeakPolarHBondContact CA-O 3.28Å; D146-D168 PolarHBondContact OD1-N 3.05Å
147	V	68.7	Low	64.6	Low	3 Å²	3	56.7 Å²	56.7	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.5	173.1	-179.3	0	0	0	0	108.8	V125 V139 D168 V169 V170	V125-V147 HydrophobicContact CB-CG1 4.46Å; V125-V147 HydrophobicContact CB-CG2 4.36Å; V125-V147 CarbonylContact O-C 3.55Å; V125-V147 WeakPolarHBondContact O-CA 3.03Å; V139-V147 HydrophobicContact CG1-CG2 4.1Å; V139-V147 HydrophobicContact CG2-CG1 3.91Å; V147-D168 PolarHBondContact N-O 2.75Å; V147-V169 HydrophobicContact CB-CG2 4.28Å; V147-V169 CarbonylContact O-C 3.54Å; V147-V169 WeakPolarHBondContact O-CA 3.42Å; V147-V170 PolarHBondContact O-N 3.17Å
148	M	71.5	Confident	64.7	Low	87 Å²	87	59 Å²	59	43%	0.429	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.7	173.2	-74.9	179.7	38.2	0	0	110.3	V125 M126 I127 V170	V125-M148 PolarHBondContact O-N 3.32Å; M126-M148 CarbonylContact C-O 3.36Å; M126-M148 VanDerWaalsContact CA-O 3.26Å; M126-M148 WeakPolarHBondContact CA-O 3.31Å; M126-M148 HydrophobicContact CE-CE 3.57Å; M126-M148 HydrophobicContact CE-SD 4.04Å; M126-M148 HydrophobicContact CG-CB 4.31Å; M126-M148 HydrophobicContact CG-CE 4.49Å; M126-M148 HydrophobicContact SD-CE 4.24Å; I127-M148 PolarHBondContact N-O 2.88Å; M148-V170 CarbonylContact C-O 3.4Å; M148-V170 WeakPolarHBondContact CA-O 3.41Å; M148-V170 HydrophobicContact CG-CB 4.28Å
149	T	71.4	Confident	64.6	Low	5 Å²	5	58.1 Å²	58.1	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.6	174.2	-59.9	0	0	0	0	109	I127 A137 I151 V170 I171 S172	I127-T149 HydrophobicContact CB-CG2 4.35Å; I127-T149 CarbonylContact O-C 3.44Å; I127-T149 WeakPolarHBondContact O-CA 3.32Å; A137-T149 HydrophobicContact CB-CG2 4.21Å; T149-I151 HydrophobicContact CG2-CD1 3.55Å; T149-I151 HydrophobicContact CG2-CG1 3.71Å; T149-V170 PolarHBondContact N-O 2.97Å; T149-I171 CarbonylContact O-C 3.46Å; T149-I171 WeakPolarHBondContact O-CA 3.26Å; T149-S172 PolarHBondContact O-N 3.03Å
150	S	73.4	Confident	64.7	Low	34 Å²	34	60.2 Å²	60.2	24%	0.238	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.3	174.3	169.1	0	0	0	0	109	I127 S128 L129 S172	I127-S150 PolarHBondContact O-N 3.1Å; S128-S150 CarbonylContact C-O 3.6Å; S128-S150 WeakPolarHBondContact CA-O 3.25Å; L129-S150 PolarHBondContact N-O 2.8Å; S150-S172 CarbonylContact C-O 3.57Å; S150-S172 WeakPolarHBondContact CA-O 3.49Å
151	I	69.6	Low	64.8	Low	2 Å²	2	57.2 Å²	57.2	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.7	179.2	-57.7	171.6	0	0	0	107.8	L129 A135 T149 C154 V157 S172 T173 P174	L129-I151 HydrophobicContact CB-CG1 4.25Å; L129-I151 HydrophobicContact CB-CG2 4.26Å; L129-I151 HydrophobicContact CD1-CD1 4.24Å; L129-I151 HydrophobicContact CD1-CG1 4Å; L129-I151 HydrophobicContact CG-CG1 4.19Å; L129-I151 CarbonylContact O-C 3.43Å; L129-I151 WeakPolarHBondContact O-CA 3.48Å; A135-I151 HydrophobicContact CB-CD1 4.42Å; T149-I151 HydrophobicContact CG2-CD1 3.55Å; T149-I151 HydrophobicContact CG2-CG1 3.71Å; I151-C154 HydrophobicContact CG2-CB 3.92Å; I151-C154 WeakPolarHBondContact CG2-SG 3.3Å; I151-V157 HydrophobicContact CB-CG2 4.44Å; I151-V157 HydrophobicContact CD1-CB 4.48Å; I151-V157 HydrophobicContact CD1-CG1 3.41Å; I151-V157 VanDerWaalsContact CD1-CG1 3.41Å; I151-V157 HydrophobicContact CD1-CG2 4.24Å; I151-V157 HydrophobicContact CG2-CG2 3.62Å; I151-S172 PolarHBondContact N-O 2.81Å; I151-S172 VanDerWaalsContact O-O 3.13Å; I151-T173 HydrophobicContact CB-CG2 4.17Å; I151-T173 HydrophobicContact CD1-CG2 4.24Å; I151-P174 VanDerWaalsContact O-CD 3.24Å; I151-P174 WeakPolarHBondContact O-CD 3.35Å
152	R	65.3	Low	65	Low	166 Å²	166	55.4 Å²	55.4	63%	0.626	27%	0.266	S	S	*	.			trans	-124.6	136	176	-61.3	-174.1	-178.9	-167.5	0.1	108.1	L129 T130 R131 C154	L129-R152 PolarHBondContact O-N 2.98Å; T130-R152 CarbonylContact C-O 3.52Å; T130-R152 CarbonylContact O-C 3.57Å; R131-R152 PolarHBondContact N-O 3.32Å; R152-C154 PolarHBondContact O-SG 2.9Å
153	R	65	Low	64.8	Low	191 Å²	191	63.2 Å²	63.2	72%	0.721	30%	0.295	S	S	*	.	S	Bend	trans	50.6	58.7	174	-58	-180	173.5	179.2	-2.3	114.3	R131 C132	R131-R153 VanDerWaalsContact CA-O 3.31Å; R131-R153 WeakPolarHBondContact CA-O 3.26Å; R131-R153 HydrophobicContact CG-CB 4.1Å; C132-R153 PolarHBondContact N-O 2.03Å
154	C	63.9	Low	64.9	Low	6 Å²	6	67.1 Å²	67.1	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.4	167.6	-48.9	0	0	0	0	108.6	C132 I151 R152 V157	C132-C154 VanDerWaalsContact CA-SG 3.59Å; C132-C154 HydrophobicContact CB-CB 3.7Å; C132-C154 WeakPolarHBondContact CB-SG 3.12Å; C132-C154 PolarHBondContact N-SG 3.1Å; C132-C154 VanDerWaalsContact O-CA 3.31Å; C132-C154 WeakPolarHBondContact O-CA 3.33Å; C132-C154 WeakPolarHBondContact SG-CB 3.44Å; C132-C154 CovalentContact SG-SG 2.03Å; C132-C154 PolarHBondContact SG-SG 3.44Å; I151-C154 HydrophobicContact CG2-CB 3.92Å; I151-C154 WeakPolarHBondContact CG2-SG 3.3Å; R152-C154 PolarHBondContact O-SG 2.9Å; C154-V157 HydrophobicContact CB-CG2 3.9Å
155	D	64.5	Low	64.7	Low	95 Å²	95	68.3 Å²	68.3	51%	0.508	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-49.9	-173.6	-74.2	-29.6	0	0	0	109.9	D133 R175	D133-D155 WeakPolarHBondContact O-CB 3.26Å; D133-D155 PolarHBondContact O-N 2.95Å; D155-R175 PolarHBondContact O-NH1 3.36Å
156	D	64.2	Low	64.4	Low	95 Å²	95	74.9 Å²	74.9	51%	0.508	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134	169.1	-66.9	-28.1	0	0	0	112	D133 D134 A135	D133-D156 PolarHBondContact O-N 3.03Å; D134-D156 CarbonylContact C-O 3.54Å; D134-D156 WeakPolarHBondContact CA-O 3.31Å; D134-D156 HydrophobicContact CB-CB 4.48Å; D134-D156 WeakPolarHBondContact OD1-CB 3.45Å; A135-D156 PolarHBondContact N-O 2.85Å
157	V	61.5	Low	64.2	Low	2 Å²	2	72.6 Å²	72.6	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.5	171.5	177.2	0	0	0	0	108.7	A135 I151 C154 T173 D178	A135-V157 HydrophobicContact CB-CG2 4.49Å; A135-V157 CarbonylContact O-C 3.59Å; A135-V157 VanDerWaalsContact O-CA 3.3Å; A135-V157 WeakPolarHBondContact O-CA 3.31Å; I151-V157 HydrophobicContact CB-CG2 4.44Å; I151-V157 HydrophobicContact CD1-CB 4.48Å; I151-V157 HydrophobicContact CD1-CG1 3.41Å; I151-V157 VanDerWaalsContact CD1-CG1 3.41Å; I151-V157 HydrophobicContact CD1-CG2 4.24Å; I151-V157 HydrophobicContact CG2-CG2 3.62Å; C154-V157 HydrophobicContact CB-CG2 3.9Å; V157-T173 HydrophobicContact CG1-CG2 3.87Å; V157-D178 HydrophobicContact CB-CB 3.8Å; V157-D178 HydrophobicContact CG1-CB 4.47Å; V157-D178 WeakPolarHBondContact O-CB 3.34Å
158	T	65.7	Low	64	Low	53 Å²	53	77 Å²	77	33%	0.325	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	106.7	166.5	-67.3	0	0	0	0	107.6	A135 T136 A137 E160 D178	A135-T158 PolarHBondContact O-N 3.48Å; T136-T158 CarbonylContact C-O 3.56Å; T136-T158 VanDerWaalsContact CA-O 3.28Å; T136-T158 WeakPolarHBondContact CA-O 3.4Å; T136-T158 HydrophobicContact CG2-CG2 4.41Å; A137-T158 PolarHBondContact N-O 2.75Å; T158-E160 HydrophobicContact CG2-CG 3.98Å; T158-D178 WeakPolarHBondContact CA-O 3.4Å
159	A	63.3	Low	63.7	Low	1 Å²	1	75.7 Å²	75.7	1%	0.008	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	108.7	171.2	0	0	0	0	0	108.8	A137 I171 D178 V179 R180	A137-A159 CarbonylContact O-C 3.45Å; A137-A159 VanDerWaalsContact O-CA 3.27Å; A137-A159 WeakPolarHBondContact O-CA 3.48Å; A159-I171 HydrophobicContact CB-CD1 3.79Å; A159-D178 PolarHBondContact N-O 3.35Å; A159-V179 HydrophobicContact CB-CG1 4.3Å; A159-R180 CarbonylContact O-C 3.55Å; A159-R180 VanDerWaalsContact O-C 3.27Å; A159-R180 PolarHBondContact O-N 2.86Å
160	E	63.9	Low	63.6	Low	49 Å²	49	79 Å²	79	23%	0.229	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.9	173.9	-73.9	-166.5	179.3	0	0	110	A137 E138 V139 T158 W162 R180	A137-E160 PolarHBondContact O-N 2.85Å; E138-E160 CarbonylContact C-O 3.57Å; E138-E160 VanDerWaalsContact CA-O 3.3Å; E138-E160 WeakPolarHBondContact CA-O 3.39Å; E138-E160 HydrophobicContact CG-CB 4.27Å; V139-E160 PolarHBondContact N-O 3.42Å; T158-E160 HydrophobicContact CG2-CG 3.98Å; E160-W162 PolarHBondContact OE2-NE1 2.82Å; E160-R180 WeakPolarHBondContact CA-O 3.4Å
161	M	62.9	Low	63.4	Low	20 Å²	20	79.4 Å²	79.4	10%	0.099	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.1	176.9	-63.4	178	-68.6	0	0	108.5	V139 V169 I171 T181 L182	V139-M161 HydrophobicContact CB-CG 4.18Å; V139-M161 CarbonylContact O-C 2.92Å; V139-M161 VanDerWaalsContact O-CA 3.27Å; V139-M161 WeakPolarHBondContact O-CA 3.14Å; M161-V169 HydrophobicContact CE-CG1 3.5Å; M161-V169 HydrophobicContact SD-CB 4.4Å; M161-V169 HydrophobicContact SD-CG1 3.24Å; M161-V169 WeakPolarHBondContact SD-CG1 3.38Å; M161-V169 HydrophobicContact SD-CG2 4.29Å; M161-I171 HydrophobicContact CE-CD1 3.23Å; M161-I171 HydrophobicContact CE-CG1 4.26Å; M161-I171 HydrophobicContact SD-CD1 3.85Å; M161-T181 HydrophobicContact CE-CG2 3.94Å; M161-T181 WeakPolarHBondContact CE-OG1 3.44Å; M161-L182 CarbonylContact C-O 3.51Å; M161-L182 CarbonylContact O-C 3.55Å; M161-L182 WeakPolarHBondContact O-CB 3.49Å; M161-L182 PolarHBondContact O-N 3.42Å
162	W	58.6	Low	63.4	Low	111 Å²	111	82.3 Å²	82.3	42%	0.42	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.6	-177.6	-64.2	83.2	0	0	0	110.1	V139 K140 R141 E160 L182	V139-W162 PolarHBondContact O-N 3.44Å; K140-W162 HydrophobicContact CG-CB 4.3Å; K140-W162 HydrophobicContact CG-CG 4.16Å; R141-W162 WeakPolarHBondContact CA-O 3.25Å; R141-W162 PolarHBondContact N-O 2.98Å; E160-W162 PolarHBondContact OE2-NE1 2.82Å; W162-L182 HydrophobicContact CD2-CB 4.36Å; W162-L182 HydrophobicContact CD2-CD1 4.42Å; W162-L182 HydrophobicContact CE3-CB 4.33Å; W162-L182 HydrophobicContact CH2-CD1 3.58Å; W162-L182 HydrophobicContact CZ2-CD1 3.29Å; W162-L182 HydrophobicContact CZ3-CB 4.45Å; W162-L182 HydrophobicContact CZ3-CD1 4.23Å
163	R	55.7	Low	63.5	Low	175 Å²	175	76 Å²	76	66%	0.66	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.1	107.7	174.6	-62.1	-174.2	179.8	-123.7	1.1	115.4	F142 V183	F142-R163 PolarHBondContact N-O 3.21Å; R163-V183 PolarHBondContact N-OXT 2.87Å
164	R	59.1	Low	63.4	Low	133 Å²	133	70.6 Å²	70.6	50%	0.502	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.3	166.6	178.1	178.7	166.4	162.9	6.4	109.2	G167 D168	R164-G167 WeakPolarHBondContact CD-O 3.45Å; R164-G167 PolarHBondContact NE-O 2.9Å; R164-G167 PolarHBondContact NH1-O 3.24Å; R164-G167 PolarHBondContact NH2-O 2.62Å; R164-D168 IonicContact CZ-OD1 3.59Å; R164-D168 IonicContact NH1-OD1 3.77Å; R164-D168 IonicContact NH2-OD1 2.97Å; R164-D168 PolarHBondContact NH2-OD1 3.18Å
165	Q	56.9	Low	63.3	Low	117 Å²	117	76.7 Å²	76.7	55%	0.547	37%	0.374	S	S	.	.	S	Bend	trans	-101	-44.9	158.3	-67.1	-173.3	-23.3	0	0	110.7	F142 Q143	F142-Q165 PolarHBondContact O-N 2.82Å; F142-Q165 VanDerWaalsContact O-N 3.08Å; Q143-Q165 HydrophobicContact CG-CG 4.46Å
166	Y	59.3	Low	62.8	Low	158 Å²	158	82.8 Å²	82.8	62%	0.62	39%	0.39	S	S	*	.	S	Bend	trans	-148.9	159.6	179.4	-58.8	-82.5	0	0	0	112.4	Q143 N144	Q143-Y166 WeakPolarHBondContact O-CB 3.06Å; Q143-Y166 PolarHBondContact O-N 2.9Å; N144-Y166 WeakPolarHBondContact OD1-CD2 3.1Å
167	G	63	Low	62.6	Low	22 Å²	22	85.5 Å²	85.5	23%	0.227	41%	0.405	C	S	.	.	S	Bend	trans	92.1	148.5	174.8	0	0	0	0	0	115.9	G145 R164	G145-G167 CarbonylContact O-C 3.25Å; G145-G167 VanDerWaalsContact O-CA 3.23Å; G145-G167 WeakPolarHBondContact O-CA 2.96Å; R164-G167 WeakPolarHBondContact CD-O 3.45Å; R164-G167 PolarHBondContact NE-O 2.9Å; R164-G167 PolarHBondContact NH1-O 3.24Å; R164-G167 PolarHBondContact NH2-O 2.62Å
168	D	65.6	Low	62.5	Low	96 Å²	96	87 Å²	87	51%	0.513	41%	0.413	S	S	.	.			trans	-84.1	151.9	-168.5	-75.6	-32.4	0	0	0	114.2	D146 V147 R164	D146-D168 CarbonylContact C-O 3.47Å; D146-D168 VanDerWaalsContact CA-O 3.26Å; D146-D168 WeakPolarHBondContact CA-O 3.28Å; D146-D168 PolarHBondContact OD1-N 3.05Å; V147-D168 PolarHBondContact N-O 2.75Å; R164-D168 IonicContact CZ-OD1 3.59Å; R164-D168 IonicContact NH1-OD1 3.77Å; R164-D168 IonicContact NH2-OD1 2.97Å; R164-D168 PolarHBondContact NH2-OD1 3.18Å
169	V	65.3	Low	62.1	Low	58 Å²	58	86.5 Å²	86.5	35%	0.352	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.1	-177.9	176.5	0	0	0	0	108.4	V147 M161 I171	V147-V169 HydrophobicContact CB-CG2 4.28Å; V147-V169 CarbonylContact O-C 3.54Å; V147-V169 WeakPolarHBondContact O-CA 3.42Å; M161-V169 HydrophobicContact CE-CG1 3.5Å; M161-V169 HydrophobicContact SD-CB 4.4Å; M161-V169 HydrophobicContact SD-CG1 3.24Å; M161-V169 WeakPolarHBondContact SD-CG1 3.38Å; M161-V169 HydrophobicContact SD-CG2 4.29Å; V169-I171 HydrophobicContact CG1-CD1 4.44Å; V169-I171 HydrophobicContact CG1-CG1 4.22Å
170	V	68.6	Low	61.9	Low	76 Å²	76	94.4 Å²	94.4	46%	0.461	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.4	176	-177.6	0	0	0	0	108.5	V147 M148 T149	V147-V170 PolarHBondContact O-N 3.17Å; M148-V170 CarbonylContact C-O 3.4Å; M148-V170 WeakPolarHBondContact CA-O 3.41Å; M148-V170 HydrophobicContact CG-CB 4.28Å; T149-V170 PolarHBondContact N-O 2.97Å
171	I	68.7	Low	61.5	Low	41 Å²	41	96.1 Å²	96.1	21%	0.21	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.8	171.9	-60.2	177.9	0	0	0	108.2	T149 A159 M161 V169 T173 V179	T149-I171 CarbonylContact O-C 3.46Å; T149-I171 WeakPolarHBondContact O-CA 3.26Å; A159-I171 HydrophobicContact CB-CD1 3.79Å; M161-I171 HydrophobicContact CE-CD1 3.23Å; M161-I171 HydrophobicContact CE-CG1 4.26Å; M161-I171 HydrophobicContact SD-CD1 3.85Å; V169-I171 HydrophobicContact CG1-CD1 4.44Å; V169-I171 HydrophobicContact CG1-CG1 4.22Å; I171-T173 HydrophobicContact CG2-CG2 3.67Å; I171-V179 HydrophobicContact CB-CG1 4.45Å; I171-V179 HydrophobicContact CD1-CG1 3.68Å; I171-V179 HydrophobicContact CG2-CG1 4.14Å; I171-V179 HydrophobicContact CG2-CG2 3.76Å
172	S	69.9	Low	60.9	Low	63 Å²	63	98.5 Å²	98.5	44%	0.441	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	104.7	173.3	-64.4	0	0	0	0	108.5	T149 S150 I151	T149-S172 PolarHBondContact O-N 3.03Å; S150-S172 CarbonylContact C-O 3.57Å; S150-S172 WeakPolarHBondContact CA-O 3.49Å; I151-S172 PolarHBondContact N-O 2.81Å; I151-S172 VanDerWaalsContact O-O 3.13Å
173	T	68.4	Low	60.3	Low	34 Å²	34	101.1 Å²	101.1	21%	0.209	49%	0.494	C	S	.	.			trans	-121	156.1	176.4	56.3	0	0	0	0	109.9	I151 V157 I171 R175 V179	I151-T173 HydrophobicContact CB-CG2 4.17Å; I151-T173 HydrophobicContact CD1-CG2 4.24Å; V157-T173 HydrophobicContact CG1-CG2 3.87Å; I171-T173 HydrophobicContact CG2-CG2 3.67Å; T173-R175 VanDerWaalsContact C-N 3.28Å; T173-R175 WeakPolarHBondContact CB-O 3.16Å; T173-R175 PolarHBondContact OG1-O 3.15Å; T173-V179 HydrophobicContact CG2-CG2 3.83Å
174	P	63.3	Low	60.5	Low	78 Å²	78	97.5 Å²	97.5	51%	0.506	49%	0.485	S	S	.	.	S	Bend	trans	-73.1	-26	176	-6.7	24.8	0	0	0	111.7	I151	I151-P174 VanDerWaalsContact O-CD 3.24Å; I151-P174 WeakPolarHBondContact O-CD 3.35Å
175	R	61.5	Low	60.6	Low	133 Å²	133	95.6 Å²	95.6	50%	0.502	48%	0.484	S	S	.	.			trans	-121.6	128.4	-178.5	-68.5	-176.7	175.1	166.6	0.1	109	D155 T173 D178	D155-R175 PolarHBondContact O-NH1 3.36Å; T173-R175 VanDerWaalsContact C-N 3.28Å; T173-R175 WeakPolarHBondContact CB-O 3.16Å; T173-R175 PolarHBondContact OG1-O 3.15Å; R175-D178 WeakPolarHBondContact CB-OD2 3.43Å
176	R	54	Low	60.8	Low	223 Å²	223	94.4 Å²	94.4	84%	0.842	48%	0.481	S	S	*	.	S	Bend	trans	-85.3	-21	-171.9	-161.5	177.3	-175.1	166.1	1.7	112.7	D178	R176-D178 PolarHBondContact O-N 3.11Å
177	D	59	Low	60.9	Low	152 Å²	152	90.6 Å²	90.6	81%	0.813	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-11	-173.7	-56.3	-43.4	0	0	0	113.5
178	D	60.4	Low	60.7	Low	35 Å²	35	94.9 Å²	94.9	19%	0.187	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-2.6	-171.3	-71.2	-11.4	0	0	0	113.6	V157 T158 A159 R175 R176	V157-D178 HydrophobicContact CB-CB 3.8Å; V157-D178 HydrophobicContact CG1-CB 4.47Å; V157-D178 WeakPolarHBondContact O-CB 3.34Å; T158-D178 WeakPolarHBondContact CA-O 3.4Å; A159-D178 PolarHBondContact N-O 3.35Å; R175-D178 WeakPolarHBondContact CB-OD2 3.43Å; R176-D178 PolarHBondContact O-N 3.11Å
179	V	57.4	Low	60.4	Low	41 Å²	41	94.9 Å²	94.9	25%	0.248	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.9	-175.7	-179.2	0	0	0	0	109.9	A159 I171 T173	A159-V179 HydrophobicContact CB-CG1 4.3Å; I171-V179 HydrophobicContact CB-CG1 4.45Å; I171-V179 HydrophobicContact CD1-CG1 3.68Å; I171-V179 HydrophobicContact CG2-CG1 4.14Å; I171-V179 HydrophobicContact CG2-CG2 3.76Å; T173-V179 HydrophobicContact CG2-CG2 3.83Å
180	R	59.3	Low	60	Low	168 Å²	168	97.5 Å²	97.5	63%	0.634	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	94.6	175.2	-71.3	-172.5	176.1	-178	1.3	110.6	A159 E160 L182	A159-R180 CarbonylContact O-C 3.55Å; A159-R180 VanDerWaalsContact O-C 3.27Å; A159-R180 PolarHBondContact O-N 2.86Å; E160-R180 WeakPolarHBondContact CA-O 3.4Å; R180-L182 PolarHBondContact O-N 3.23Å
181	T	54.9	Low	59.4	Low	85 Å²	85	99.2 Å²	99.2	52%	0.521	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.9	169.9	-57.9	0	0	0	0	109.5	M161 V183	M161-T181 HydrophobicContact CE-CG2 3.94Å; M161-T181 WeakPolarHBondContact CE-OG1 3.44Å; T181-V183 HydrophobicContact CG2-CG2 4.36Å
182	L	49.2	Very low	58.6	Low	70 Å²	70	104 Å²	104	37%	0.366	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	104.3	174.6	-65.4	168.9	0	0	0	108.5	M161 W162 R180	M161-L182 CarbonylContact C-O 3.51Å; M161-L182 CarbonylContact O-C 3.55Å; M161-L182 WeakPolarHBondContact O-CB 3.49Å; M161-L182 PolarHBondContact O-N 3.42Å; W162-L182 HydrophobicContact CD2-CB 4.36Å; W162-L182 HydrophobicContact CD2-CD1 4.42Å; W162-L182 HydrophobicContact CE3-CB 4.33Å; W162-L182 HydrophobicContact CH2-CD1 3.58Å; W162-L182 HydrophobicContact CZ2-CD1 3.29Å; W162-L182 HydrophobicContact CZ3-CB 4.45Å; W162-L182 HydrophobicContact CZ3-CD1 4.23Å; R180-L182 PolarHBondContact O-N 3.23Å
183	V	46.1	Very low	57.6	Low	166 Å²	166	107.7 Å²	107.7	100%	1.006	53%	0.53	S	S	*	.			trans	-70.2	0	-177.6	-170.8	0	0	0	0	111	R163 T181	R163-V183 PolarHBondContact N-OXT 2.87Å; T181-V183 HydrophobicContact CG2-CG2 4.36Å

Retrieved 183 of 183 residues in 1052.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).