A0A5K4FA80_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4FA80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	39	Very low	234 Å²	234	151.4 Å²	151.4	100%	1.153	81%	0.813	S	S	*	*				0	122.5	0	-92.4	-178.3	-82.1	0	0	107.5
2	I	43.3	Very low	38.8	Very low	153 Å²	153	150.3 Å²	150.3	79%	0.785	81%	0.805	S	S	*	*			trans	73.1	59.1	170.1	-41.5	170.6	0	0	0	114.8
3	F	31.6	Very low	38.7	Very low	199 Å²	199	149 Å²	149	87%	0.873	80%	0.796	S	S	*	*			trans	-82.8	146.6	143.8	-95.4	-99.8	0	0	0	107.7
4	C	35	Very low	38.7	Very low	114 Å²	114	144.8 Å²	144.8	77%	0.77	78%	0.779	S	S	*	*			trans	87.6	55	167	-57.1	0	0	0	0	119.4
5	Y	46.2	Very low	39	Very low	224 Å²	224	142.1 Å²	142.1	88%	0.878	77%	0.77	S	S	*	*			trans	-127.1	32.9	154.4	-95.1	-78.9	0	0	0	113.1
6	V	45.2	Very low	39.1	Very low	150 Å²	150	142.4 Å²	142.4	91%	0.909	77%	0.77	S	S	*	*	S	Bend	trans	-99.6	11.1	175.2	-163.1	0	0	0	0	111.4
7	G	33	Very low	39.9	Very low	62 Å²	62	139.6 Å²	139.6	64%	0.639	76%	0.758	S	S	*	*	S	Bend	trans	-101.9	-3.9	-162.8	0	0	0	0	0	118.2
8	L	39.3	Very low	40.8	Very low	161 Å²	161	139.1 Å²	139.1	84%	0.843	75%	0.75	S	S	*	*			trans	-150.5	37.6	-167.7	-127.5	109.6	0	0	0	115.6
9	I	40.4	Very low	42.5	Very low	156 Å²	156	135.9 Å²	135.9	80%	0.8	75%	0.745	S	S	*	*			trans	-110.4	65.7	150.2	-52.5	178.2	0	0	0	105.5	V11	I9-V11 HydrophobicContact CG2-CG2 4.01Å; I9-V11 PolarHBondContact O-N 2.86Å
10	T	39.5	Very low	44.7	Very low	116 Å²	116	130.3 Å²	130.3	71%	0.712	71%	0.714	S	S	*	*			trans	-61.5	93.6	154.3	-17.6	0	0	0	0	104	I12	T10-I12 PolarHBondContact O-N 2.87Å
11	V	39.7	Very low	46.7	Very low	96 Å²	96	127 Å²	127	58%	0.582	70%	0.698	S	S	*	*			trans	-50.3	97.5	169	176.7	0	0	0	0	105.3	I9 L13	I9-V11 HydrophobicContact CG2-CG2 4.01Å; I9-V11 PolarHBondContact O-N 2.86Å; V11-L13 HydrophobicContact CG1-CB 3.81Å; V11-L13 HydrophobicContact CG1-CD1 3.22Å; V11-L13 HydrophobicContact CG1-CG 4.1Å; V11-L13 PolarHBondContact O-N 2.73Å
12	I	37.6	Very low	49.2	Very low	139 Å²	139	119.9 Å²	119.9	71%	0.713	66%	0.663	S	S	*	*			trans	-68.5	67.8	158.5	-62.6	176.5	0	0	0	104.2	T10 T14	T10-I12 PolarHBondContact O-N 2.87Å; I12-T14 HydrophobicContact CG2-CG2 3.69Å; I12-T14 WeakPolarHBondContact CG2-OG1 3.3Å; I12-T14 PolarHBondContact O-N 3.01Å
13	L	37.3	Very low	51.5	Low	133 Å²	133	117.8 Å²	117.8	70%	0.696	66%	0.661	S	S	*	*			trans	-72	59.2	145.4	-116.1	92.1	0	0	0	104.8	V11 T15	V11-L13 HydrophobicContact CG1-CB 3.81Å; V11-L13 HydrophobicContact CG1-CD1 3.22Å; V11-L13 HydrophobicContact CG1-CG 4.1Å; V11-L13 PolarHBondContact O-N 2.73Å; L13-T15 PolarHBondContact O-N 2.98Å
14	T	38.8	Very low	54.5	Low	90 Å²	90	110.5 Å²	110.5	55%	0.552	63%	0.631	S	S	*	*			trans	-64.9	91.4	141.3	47.9	0	0	0	0	102.9	I12 L16	I12-T14 HydrophobicContact CG2-CG2 3.69Å; I12-T14 WeakPolarHBondContact CG2-OG1 3.3Å; I12-T14 PolarHBondContact O-N 3.01Å; T14-L16 PolarHBondContact O-N 2.72Å
15	T	42.8	Very low	57.3	Low	105 Å²	105	105.8 Å²	105.8	64%	0.644	60%	0.598	S	S	*	*			trans	-47.9	94.8	144.3	39.2	0	0	0	0	104.2	L13 V17	L13-T15 PolarHBondContact O-N 2.98Å; T15-V17 PolarHBondContact O-N 2.91Å
16	L	40.7	Very low	59.7	Low	147 Å²	147	100.5 Å²	100.5	77%	0.77	58%	0.58	S	S	*	*			trans	-60.4	82.6	160.4	-95.9	135.6	0	0	0	103.5	T14 Q18	T14-L16 PolarHBondContact O-N 2.72Å; L16-Q18 PolarHBondContact O-N 3.37Å
17	V	51.8	Low	62.2	Low	94 Å²	94	96 Å²	96	57%	0.57	55%	0.547	S	S	*	.			trans	-61	95.6	159.1	-178.7	0	0	0	0	101.7	T15 A19	T15-V17 PolarHBondContact O-N 2.91Å; V17-A19 PolarHBondContact O-N 2.81Å
18	Q	56.4	Low	65.1	Low	130 Å²	130	98 Å²	98	61%	0.607	54%	0.538	S	S	*	.			trans	-53.8	109.3	175.9	-76.1	-177.5	-73.2	0	0	105.3	L16 V20	L16-Q18 PolarHBondContact O-N 3.37Å; Q18-V20 PolarHBondContact O-N 2.98Å
19	A	74.1	Confident	67.8	Low	79 Å²	79	90.4 Å²	90.4	65%	0.653	50%	0.498	S	S	*	.			trans	-59	125.5	176.8	0	0	0	0	0	106.4	V17 T21	V17-A19 PolarHBondContact O-N 2.81Å; A19-T21 WeakPolarHBondContact O-CG2 3.27Å; A19-T21 PolarHBondContact O-N 3.44Å
20	V	85.2	Confident	70.2	Confident	23 Å²	23	87.5 Å²	87.5	14%	0.139	48%	0.477	C	S	.	.			trans	-63.3	128.3	177.4	-176.8	0	0	0	0	107.7	Q18 D24 I25 I40 I86 I99 F100	Q18-V20 PolarHBondContact O-N 2.98Å; V20-D24 HydrophobicContact CG1-CB 4.23Å; V20-I25 HydrophobicContact CG1-CD1 4.09Å; V20-I40 HydrophobicContact CB-CG2 4.35Å; V20-I40 HydrophobicContact CG1-CG2 3.67Å; V20-I40 HydrophobicContact CG2-CD1 4.26Å; V20-I40 HydrophobicContact CG2-CG2 3.85Å; V20-I86 HydrophobicContact CG1-CD1 3.89Å; V20-I99 HydrophobicContact CG2-CD1 4.14Å; V20-F100 HydrophobicContact CB-CB 4.07Å; V20-F100 HydrophobicContact CB-CD2 3.92Å; V20-F100 HydrophobicContact CB-CG 4.27Å; V20-F100 HydrophobicContact CG1-CB 4.23Å; V20-F100 HydrophobicContact CG1-CD2 3.76Å; V20-F100 HydrophobicContact CG1-CE2 4.32Å; V20-F100 HydrophobicContact CG1-CG 4.04Å; V20-F100 WeakPolarHBondContact O-CD2 3.32Å
21	T	88.3	Confident	72.7	Confident	62 Å²	62	84.4 Å²	84.4	38%	0.38	45%	0.452	S	S	.	.			trans	-111.9	163.5	179.6	63.2	0	0	0	0	110.3	A19 S23 D24	A19-T21 WeakPolarHBondContact O-CG2 3.27Å; A19-T21 PolarHBondContact O-N 3.44Å; T21-S23 PolarHBondContact O-N 2.8Å; T21-S23 PolarHBondContact OG1-OG 3.21Å; T21-D24 PolarHBondContact N-OD2 2.85Å; T21-D24 WeakPolarHBondContact O-CB 3.44Å; T21-D24 PolarHBondContact O-N 3.33Å; T21-D24 PolarHBondContact OG1-OD2 2.92Å
22	E	86.8	Confident	75.2	Confident	85 Å²	85	80.9 Å²	80.9	40%	0.397	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-59.3	-32.9	175.7	177.6	175.5	-148.3	0	0	112.8	D24 I25 K102 Y104	E22-D24 PolarHBondContact O-N 2.92Å; E22-D24 VanDerWaalsContact O-N 3.16Å; E22-I25 PolarHBondContact O-N 3.09Å; E22-K102 HydrophobicContact CB-CD 4.35Å; E22-K102 HydrophobicContact CG-CD 4.38Å; E22-K102 VanDerWaalsContact OE1-CE 3.25Å; E22-K102 WeakPolarHBondContact OE1-CE 3.32Å; E22-K102 IonicContact OE1-NZ 2.88Å; E22-K102 PolarHBondContact OE1-NZ 3.14Å; E22-K102 VanDerWaalsContact OE1-NZ 3.13Å; E22-K102 IonicContact OE2-NZ 2.63Å; E22-K102 PolarHBondContact OE2-NZ 2.61Å; E22-Y104 HydrophobicContact CG-CE1 4.32Å; E22-Y104 WeakPolarHBondContact OE1-CE1 3.39Å
23	S	91.5	Very high	78	Confident	108 Å²	108	74.8 Å²	74.8	76%	0.755	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-64	-17.6	176.2	42.2	0	0	0	0	113.7	T21 I25	T21-S23 PolarHBondContact O-N 2.8Å; T21-S23 PolarHBondContact OG1-OG 3.21Å; S23-I25 VanDerWaalsContact C-N 3.27Å
24	D	94	Very high	80.8	Confident	46 Å²	46	68.4 Å²	68.4	25%	0.246	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-81.7	-9	174.2	-54.8	-52.4	0	0	0	112	V20 T21 E22 N39 I40	V20-D24 HydrophobicContact CG1-CB 4.23Å; T21-D24 PolarHBondContact N-OD2 2.85Å; T21-D24 WeakPolarHBondContact O-CB 3.44Å; T21-D24 PolarHBondContact O-N 3.33Å; T21-D24 PolarHBondContact OG1-OD2 2.92Å; E22-D24 PolarHBondContact O-N 2.92Å; E22-D24 VanDerWaalsContact O-N 3.16Å; D24-N39 PolarHBondContact O-N 3.47Å; D24-I40 HydrophobicContact CB-CG2 3.92Å
25	I	95.7	Very high	83.6	Confident	15 Å²	15	65.2 Å²	65.2	8%	0.077	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.3	-176	-47.4	-49.4	0	0	0	110	V20 E22 S23 R27 Y36 A38 F84 I86 F100	V20-I25 HydrophobicContact CG1-CD1 4.09Å; E22-I25 PolarHBondContact O-N 3.09Å; S23-I25 VanDerWaalsContact C-N 3.27Å; I25-R27 HydrophobicContact CG2-CG 4.31Å; I25-Y36 HydrophobicContact CG2-CD2 4.02Å; I25-A38 HydrophobicContact CD1-CB 3.98Å; I25-F84 HydrophobicContact CD1-CD1 4.33Å; I25-F84 HydrophobicContact CD1-CE1 3.88Å; I25-F84 HydrophobicContact CG1-CD1 4.48Å; I25-F84 HydrophobicContact CG1-CE1 4.45Å; I25-F84 HydrophobicContact CG2-CD1 4.04Å; I25-F84 HydrophobicContact CG2-CE1 4.06Å; I25-I86 HydrophobicContact CD1-CD1 3.94Å; I25-F100 HydrophobicContact CD1-CE1 4.44Å; I25-F100 HydrophobicContact CG1-CE1 4.04Å; I25-F100 HydrophobicContact CG1-CZ 3.91Å
26	K	96.2	Very high	86.2	Confident	113 Å²	113	60.2 Å²	60.2	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.8	171.9	-169.7	178	-167.9	173.5	0	109.7	Y36 E37	K26-Y36 WeakPolarHBondContact O-CA 3.44Å; K26-E37 HydrophobicContact CB-CB 4.35Å; K26-E37 PolarHBondContact N-O 2.64Å; K26-E37 PolarHBondContact O-N 3.14Å
27	R	96.2	Very high	88.9	Confident	57 Å²	57	56.8 Å²	56.8	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.2	177.4	-55.4	175.7	-61.9	-172	-3.9	109.5	I25 Y29 Y36 Y104 E184	I25-R27 HydrophobicContact CG2-CG 4.31Å; R27-Y29 HydrophobicContact CB-CE2 4.09Å; R27-Y36 HydrophobicContact CB-CE1 4.15Å; R27-Y36 HydrophobicContact CG-CD1 4.34Å; R27-Y36 HydrophobicContact CG-CD2 4.05Å; R27-Y36 HydrophobicContact CG-CE1 4Å; R27-Y36 HydrophobicContact CG-CE2 3.72Å; R27-Y36 HydrophobicContact CG-CG 4.35Å; R27-Y104 VanDerWaalsContact NH1-CE1 3.29Å; R27-E184 IonicContact CZ-OE1 2.7Å; R27-E184 IonicContact CZ-OE2 3.94Å; R27-E184 IonicContact NE-OE1 2.8Å; R27-E184 PolarHBondContact NE-OE1 3.29Å; R27-E184 IonicContact NE-OE2 2.75Å; R27-E184 IonicContact NH2-OE1 3.67Å; R27-E184 PolarHBondContact NH2-OE1 3.08Å; R27-E184 IonicContact NH2-OE2 3.82Å
28	K	95.8	Very high	91	Very high	103 Å²	103	52.3 Å²	52.3	45%	0.448	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.1	171.1	-73.7	-174.5	176.7	-176.8	0	109.7	I35 E184	K28-I35 HydrophobicContact CB-CB 4.29Å; K28-I35 PolarHBondContact N-O 3.32Å; K28-I35 PolarHBondContact O-N 2.83Å; K28-E184 CarbonylContact C-O 3.57Å; K28-E184 VanDerWaalsContact CA-O 3.3Å; K28-E184 WeakPolarHBondContact CA-O 3.22Å
29	Y	94.5	Very high	92.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.7	177.2	-55.7	-85.1	0	0	0	110.3	R27 C33 A34 Y36 L82 K106 L108 E184 A186	R27-Y29 HydrophobicContact CB-CE2 4.09Å; Y29-C33 WeakPolarHBondContact CA-O 3.42Å; Y29-A34 HydrophobicContact CD1-CB 3.77Å; Y29-A34 HydrophobicContact CE1-CB 3.73Å; Y29-Y36 HydrophobicContact CE1-CE1 4.07Å; Y29-Y36 PolarHBondContact OH-OH 2.99Å; Y29-L82 HydrophobicContact CE1-CD1 3.86Å; Y29-K106 HydrophobicContact CD1-CG 4.26Å; Y29-K106 HydrophobicContact CD2-CD 4.31Å; Y29-K106 VanDerWaalsContact CD2-CE 3.41Å; Y29-K106 HydrophobicContact CE1-CB 4.4Å; Y29-K106 HydrophobicContact CE1-CD 4.38Å; Y29-K106 HydrophobicContact CE1-CG 3.79Å; Y29-K106 HydrophobicContact CE2-CD 3.77Å; Y29-K106 HydrophobicContact CE2-CG 4.1Å; Y29-L108 HydrophobicContact CD1-CD2 3.3Å; Y29-L108 HydrophobicContact CE1-CD2 4Å; Y29-L108 HydrophobicContact CG-CD2 3.85Å; Y29-E184 HydrophobicContact CD2-CB 3.76Å; Y29-E184 HydrophobicContact CE2-CB 3.83Å; Y29-E184 WeakPolarHBondContact CE2-OE2 3.28Å; Y29-E184 PolarHBondContact N-O 3.26Å; Y29-A186 PolarHBondContact O-N 2.83Å
30	R	91.7	Very high	93.5	Very high	95 Å²	95	49.9 Å²	49.9	36%	0.358	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	112.1	178.8	169.3	177	71.8	177.7	-2	108.6	D32 C33 E70 Y188	R30-D32 PolarHBondContact O-N 2.66Å; R30-C33 PolarHBondContact N-O 2.9Å; R30-C33 WeakPolarHBondContact O-CA 3.43Å; R30-C33 WeakPolarHBondContact O-CB 3.46Å; R30-C33 PolarHBondContact O-N 3.5Å; R30-E70 IonicContact CZ-OE1 2.65Å; R30-E70 IonicContact NH2-OE1 2.79Å; R30-E70 PolarHBondContact NH2-OE1 2.81Å; R30-E70 IonicContact NH2-OE2 3.05Å; R30-Y188 HydrophobicContact CB-CE2 3.88Å; R30-Y188 VanDerWaalsContact CD-OH 3.23Å; R30-Y188 WeakPolarHBondContact CD-OH 3.42Å; R30-Y188 HydrophobicContact CG-CD2 4.38Å; R30-Y188 HydrophobicContact CG-CE2 3.48Å; R30-Y188 VanDerWaalsContact CG-CE2 3.48Å
31	Y	90.9	Very high	93.5	Very high	50 Å²	50	57 Å²	57	20%	0.196	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-120.8	-175.6	-49.5	-55.9	0	0	0	110.8	C33 M76 L108 K112 Y188	Y31-C33 VanDerWaalsContact C-N 3.31Å; Y31-M76 VanDerWaalsContact O-CE 3.23Å; Y31-M76 WeakPolarHBondContact O-CE 3.49Å; Y31-L108 WeakPolarHBondContact O-CD1 3.33Å; Y31-K112 HydrophobicContact CD1-CB 3.55Å; Y31-K112 HydrophobicContact CD1-CG 4.16Å; Y31-K112 HydrophobicContact CE1-CB 3.72Å; Y31-K112 HydrophobicContact CE1-CG 3.86Å; Y31-K112 HydrophobicContact CE2-CD 4.45Å; Y31-K112 HydrophobicContact CG-CB 4.08Å; Y31-Y188 HydrophobicContact CD1-CD2 4.35Å; Y31-Y188 AromaticContact CE1-CD2 3.83Å; Y31-Y188 HydrophobicContact CE1-CD2 3.83Å; Y31-Y188 AromaticContact CE1-CG 3.81Å; Y31-Y188 HydrophobicContact CE1-CG 3.81Å; Y31-Y188 HydrophobicContact CE2-CD2 4.36Å; Y31-Y188 HydrophobicContact CE2-CG 4.33Å; Y31-Y188 AromaticContact CZ-CD2 3.84Å; Y31-Y188 AromaticContact CZ-CG 3.56Å; Y31-Y188 VanDerWaalsContact OH-CB 3.25Å; Y31-Y188 WeakPolarHBondContact OH-CB 3.2Å; Y31-Y188 VanDerWaalsContact OH-CG 3.32Å
32	D	93.4	Very high	93.4	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.123	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	13	177.7	64.4	-44.7	0	0	0	114	R30 C72 D73 I74 M76 Q132	R30-D32 PolarHBondContact O-N 2.66Å; D32-C72 CarbonylContact O-C 3.57Å; D32-C72 WeakPolarHBondContact O-CA 3.3Å; D32-D73 PolarHBondContact O-N 3.1Å; D32-D73 WeakPolarHBondContact OD2-CA 3.5Å; D32-D73 PolarHBondContact OD2-N 3.37Å; D32-D73 VanDerWaalsContact OD2-N 3.14Å; D32-I74 WeakPolarHBondContact CB-O 2.81Å; D32-I74 VanDerWaalsContact O-CB 3.3Å; D32-I74 WeakPolarHBondContact O-CB 3.08Å; D32-I74 WeakPolarHBondContact O-CG1 3.35Å; D32-I74 PolarHBondContact O-N 3.05Å; D32-M76 HydrophobicContact CB-CG 4.01Å; D32-M76 HydrophobicContact CB-SD 4.09Å; D32-Q132 PolarHBondContact OD1-NE2 2.7Å; D32-Q132 PolarHBondContact OD2-NE2 3.15Å
33	C	95.5	Very high	93.4	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.8	179.9	-54.3	0	0	0	0	112.9	Y29 R30 Y31 E70 L71 C72	Y29-C33 WeakPolarHBondContact CA-O 3.42Å; R30-C33 PolarHBondContact N-O 2.9Å; R30-C33 WeakPolarHBondContact O-CA 3.43Å; R30-C33 WeakPolarHBondContact O-CB 3.46Å; R30-C33 PolarHBondContact O-N 3.5Å; Y31-C33 VanDerWaalsContact C-N 3.31Å; C33-E70 HydrophobicContact CB-CG 4.43Å; C33-L71 CarbonylContact C-O 3.59Å; C33-L71 WeakPolarHBondContact CA-O 3.35Å; C33-C72 HydrophobicContact CB-CB 4.12Å; C33-C72 WeakPolarHBondContact CB-SG 3.28Å; C33-C72 WeakPolarHBondContact SG-CB 3.04Å; C33-C72 CovalentContact SG-SG 2.05Å; C33-C72 PolarHBondContact SG-SG 2.95Å
34	A	96.6	Very high	93.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.9	168.4	0	0	0	0	0	109.9	Y29 Y36 L52 E70 L71 I74 L82	Y29-A34 HydrophobicContact CD1-CB 3.77Å; Y29-A34 HydrophobicContact CE1-CB 3.73Å; A34-Y36 HydrophobicContact CB-CD1 4.4Å; A34-Y36 HydrophobicContact CB-CE1 4.1Å; A34-L52 HydrophobicContact CB-CD2 4.07Å; A34-E70 WeakPolarHBondContact O-CA 3.18Å; A34-L71 PolarHBondContact N-O 2.88Å; A34-L71 PolarHBondContact O-N 2.97Å; A34-I74 HydrophobicContact CB-CD1 3.67Å; A34-L82 HydrophobicContact CB-CD1 3.58Å
35	I	97.3	Very high	93.1	Very high	23 Å²	23	59.2 Å²	59.2	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.8	-177.3	-59.3	165.2	0	0	0	108.4	K28 K68 V69 E70	K28-I35 HydrophobicContact CB-CB 4.29Å; K28-I35 PolarHBondContact N-O 3.32Å; K28-I35 PolarHBondContact O-N 2.83Å; I35-K68 HydrophobicContact CG2-CD 4.34Å; I35-K68 HydrophobicContact CG2-CG 4.11Å; I35-V69 CarbonylContact C-O 3.58Å; I35-V69 WeakPolarHBondContact CA-O 3.24Å; I35-E70 HydrophobicContact CG1-CB 4.13Å; I35-E70 HydrophobicContact CG1-CG 3.77Å
36	Y	97.6	Very high	92.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.6	-176.5	-80.8	48.6	0	0	0	108.8	I25 K26 R27 Y29 A34 L52 K68 V69 L82 F84 Y104	I25-Y36 HydrophobicContact CG2-CD2 4.02Å; K26-Y36 WeakPolarHBondContact O-CA 3.44Å; R27-Y36 HydrophobicContact CB-CE1 4.15Å; R27-Y36 HydrophobicContact CG-CD1 4.34Å; R27-Y36 HydrophobicContact CG-CD2 4.05Å; R27-Y36 HydrophobicContact CG-CE1 4Å; R27-Y36 HydrophobicContact CG-CE2 3.72Å; R27-Y36 HydrophobicContact CG-CG 4.35Å; Y29-Y36 HydrophobicContact CE1-CE1 4.07Å; Y29-Y36 PolarHBondContact OH-OH 2.99Å; A34-Y36 HydrophobicContact CB-CD1 4.4Å; A34-Y36 HydrophobicContact CB-CE1 4.1Å; Y36-L52 HydrophobicContact CD1-CD1 4.13Å; Y36-L52 HydrophobicContact CD1-CD2 3.79Å; Y36-L52 HydrophobicContact CD2-CD1 4.06Å; Y36-L52 HydrophobicContact CE1-CD1 4.25Å; Y36-L52 HydrophobicContact CE1-CD2 4.35Å; Y36-L52 HydrophobicContact CE2-CD1 4.12Å; Y36-L52 HydrophobicContact CG-CD1 4.07Å; Y36-L52 HydrophobicContact CG-CD2 4.14Å; Y36-K68 CarbonylContact O-C 3.58Å; Y36-K68 VanDerWaalsContact O-CA 3.3Å; Y36-K68 WeakPolarHBondContact O-CA 3.39Å; Y36-V69 PolarHBondContact N-O 3.37Å; Y36-V69 PolarHBondContact O-N 2.94Å; Y36-L82 HydrophobicContact CE1-CD1 4.26Å; Y36-F84 HydrophobicContact CD2-CB 3.75Å; Y36-F84 HydrophobicContact CD2-CD1 4.11Å; Y36-F84 AromaticContact CD2-CD2 3.79Å; Y36-F84 HydrophobicContact CD2-CD2 3.79Å; Y36-F84 HydrophobicContact CD2-CE2 4.4Å; Y36-F84 AromaticContact CD2-CG 3.62Å; Y36-F84 HydrophobicContact CD2-CG 3.62Å; Y36-F84 HydrophobicContact CE2-CB 3.97Å; Y36-F84 HydrophobicContact CE2-CG 4.34Å; Y36-F84 HydrophobicContact CG-CD2 4.2Å; Y36-F84 HydrophobicContact CG-CG 4.45Å; Y36-Y104 HydrophobicContact CD2-CE2 4.38Å; Y36-Y104 AromaticContact CE2-CD2 3.47Å; Y36-Y104 HydrophobicContact CE2-CD2 3.47Å; Y36-Y104 VanDerWaalsContact CE2-CD2 3.47Å; Y36-Y104 AromaticContact CE2-CE2 3.58Å; Y36-Y104 HydrophobicContact CE2-CE2 3.58Å; Y36-Y104 HydrophobicContact CE2-CG 4.32Å; Y36-Y104 AromaticContact CZ-CD2 4Å; Y36-Y104 WeakPolarHBondContact OH-CB 3.44Å
37	E	97.4	Very high	92.9	Very high	74 Å²	74	57.5 Å²	57.5	35%	0.346	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.9	-178.6	-176.9	-179.8	-177.1	0	0	109.7	K26 N67 K68	K26-E37 HydrophobicContact CB-CB 4.35Å; K26-E37 PolarHBondContact N-O 2.64Å; K26-E37 PolarHBondContact O-N 3.14Å; E37-N67 CarbonylContact C-O 3.59Å; E37-N67 VanDerWaalsContact CA-O 3.3Å; E37-N67 WeakPolarHBondContact CA-O 3.38Å; E37-K68 HydrophobicContact CB-CG 4.49Å; E37-K68 HydrophobicContact CG-CB 4.45Å
38	A	96	Very high	92.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.4	178.4	0	0	0	0	0	110.2	I25 I40 Y50 N67 F84 I86	I25-A38 HydrophobicContact CD1-CB 3.98Å; A38-I40 VanDerWaalsContact C-N 3.34Å; A38-I40 HydrophobicContact CB-CG2 4.37Å; A38-I40 PolarHBondContact O-N 3.32Å; A38-Y50 HydrophobicContact CB-CD1 4Å; A38-Y50 HydrophobicContact CB-CE1 3.51Å; A38-N67 PolarHBondContact N-O 2.8Å; A38-N67 WeakPolarHBondContact O-CB 3.39Å; A38-N67 PolarHBondContact O-ND2 2.93Å; A38-F84 HydrophobicContact CB-CE1 4.46Å; A38-I86 HydrophobicContact CB-CD1 3.92Å
39	N	94.1	Very high	92.9	Very high	129 Å²	129	53.1 Å²	53.1	69%	0.69	26%	0.263	S	S	*	.			trans	-93.4	64.9	175.8	-170.8	23.9	0	0	0	110.7	D24	D24-N39 PolarHBondContact O-N 3.47Å
40	I	89.5	Confident	93	Very high	29 Å²	29	53 Å²	53	15%	0.149	26%	0.262	C	S	.	.			trans	-108.2	148.4	-177	67.1	175.3	0	0	0	111.1	V20 D24 A38 Q42 Y48 Y50 I86	V20-I40 HydrophobicContact CB-CG2 4.35Å; V20-I40 HydrophobicContact CG1-CG2 3.67Å; V20-I40 HydrophobicContact CG2-CD1 4.26Å; V20-I40 HydrophobicContact CG2-CG2 3.85Å; D24-I40 HydrophobicContact CB-CG2 3.92Å; A38-I40 VanDerWaalsContact C-N 3.34Å; A38-I40 HydrophobicContact CB-CG2 4.37Å; A38-I40 PolarHBondContact O-N 3.32Å; I40-Q42 HydrophobicContact CG1-CG 4.25Å; I40-Q42 PolarHBondContact O-N 2.8Å; I40-Q42 VanDerWaalsContact O-N 3.11Å; I40-Y48 HydrophobicContact CD1-CD1 4.21Å; I40-Y48 HydrophobicContact CD1-CE1 4.22Å; I40-Y50 HydrophobicContact CD1-CE1 4.31Å; I40-I86 HydrophobicContact CD1-CD1 4.48Å; I40-I86 HydrophobicContact CD1-CG2 4.23Å
41	K	85	Confident	93.3	Very high	172 Å²	172	49 Å²	49	75%	0.748	25%	0.248	S	C	*	.			trans	-72.6	103.7	169.1	-73.8	-170.2	-175.4	174.2	0	109.9
42	Q	85.2	Confident	93.7	Very high	94 Å²	94	46.6 Å²	46.6	44%	0.439	24%	0.238	S	C	.	.			trans	-77	131.1	173.6	-68.3	-177.6	-18.5	0	0	110.9	I40 Y48 Y50	I40-Q42 HydrophobicContact CG1-CG 4.25Å; I40-Q42 PolarHBondContact O-N 2.8Å; I40-Q42 VanDerWaalsContact O-N 3.11Å; Q42-Y48 HydrophobicContact CB-CD2 3.99Å; Q42-Y48 HydrophobicContact CB-CE2 3.54Å; Q42-Y48 HydrophobicContact CG-CD1 4.41Å; Q42-Y48 HydrophobicContact CG-CD2 3.69Å; Q42-Y48 HydrophobicContact CG-CE1 4.37Å; Q42-Y48 HydrophobicContact CG-CE2 3.69Å; Q42-Y48 HydrophobicContact CG-CG 4.09Å; Q42-Y50 PolarHBondContact NE2-OH 2.77Å
43	T	86.6	Confident	93.9	Very high	52 Å²	52	47.5 Å²	47.5	32%	0.319	24%	0.242	S	C	.	.			trans	-80.5	135.3	172.5	65.6	0	0	0	0	111.3	D45 K46 Y48	T43-D45 WeakPolarHBondContact CB-OD1 3.34Å; T43-D45 PolarHBondContact O-N 2.84Å; T43-D45 VanDerWaalsContact O-N 3.13Å; T43-D45 PolarHBondContact OG1-OD1 3.23Å; T43-K46 PolarHBondContact O-N 3.15Å; T43-K46 VanDerWaalsContact O-N 3.14Å; T43-K46 VanDerWaalsContact OG1-CD 3.31Å; T43-K46 WeakPolarHBondContact OG1-CD 3.14Å; T43-K46 VanDerWaalsContact OG1-CG 3.22Å; T43-K46 WeakPolarHBondContact OG1-CG 3.46Å; T43-Y48 PolarHBondContact N-OH 2.88Å; T43-Y48 PolarHBondContact OG1-OH 2.87Å
44	P	87.9	Confident	94	Very high	114 Å²	114	47.4 Å²	47.4	74%	0.74	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.9	-175.5	-25.1	34	0	0	0	115.9	K46 K91	P44-K46 VanDerWaalsContact C-N 3.32Å; P44-K91 WeakPolarHBondContact O-CE 3.31Å; P44-K91 PolarHBondContact O-NZ 3.33Å
45	D	91.3	Very high	93.9	Very high	88 Å²	88	50 Å²	50	47%	0.471	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.9	-179.8	68.1	-42	0	0	0	113.4	T43 K91	T43-D45 WeakPolarHBondContact CB-OD1 3.34Å; T43-D45 PolarHBondContact O-N 2.84Å; T43-D45 VanDerWaalsContact O-N 3.13Å; T43-D45 PolarHBondContact OG1-OD1 3.23Å; D45-K91 PolarHBondContact O-N 3.25Å
46	K	92.8	Very high	93.5	Very high	34 Å²	34	51.2 Å²	51.2	15%	0.148	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.3	-178.7	-63.7	-172.4	-161.5	179.4	0	112.4	T43 P44 Y48 E88 K89	T43-K46 PolarHBondContact O-N 3.15Å; T43-K46 VanDerWaalsContact O-N 3.14Å; T43-K46 VanDerWaalsContact OG1-CD 3.31Å; T43-K46 WeakPolarHBondContact OG1-CD 3.14Å; T43-K46 VanDerWaalsContact OG1-CG 3.22Å; T43-K46 WeakPolarHBondContact OG1-CG 3.46Å; P44-K46 VanDerWaalsContact C-N 3.32Å; K46-Y48 HydrophobicContact CB-CE2 3.77Å; K46-E88 HydrophobicContact CD-CB 4.19Å; K46-E88 HydrophobicContact CD-CG 4.15Å; K46-E88 WeakPolarHBondContact CD-OE2 3.43Å; K46-E88 IonicContact NZ-OE1 2.68Å; K46-E88 PolarHBondContact NZ-OE1 2.86Å; K46-E88 IonicContact NZ-OE2 2.74Å; K46-E88 PolarHBondContact NZ-OE2 3.05Å; K46-K89 CarbonylContact C-O 3.48Å; K46-K89 WeakPolarHBondContact CA-O 3.47Å; K46-K89 VanDerWaalsContact CB-O 3.29Å; K46-K89 WeakPolarHBondContact CB-O 3.42Å
47	D	94.7	Very high	92.6	Very high	58 Å²	58	58.3 Å²	58.3	31%	0.31	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.3	164.8	-59.7	-37.1	0	0	0	108.9	E88 K89 K91 F96	D47-E88 CarbonylContact O-C 3.5Å; D47-E88 VanDerWaalsContact O-CA 3.28Å; D47-E88 WeakPolarHBondContact O-CA 3.48Å; D47-K89 HydrophobicContact CB-CG 3.99Å; D47-K89 PolarHBondContact N-O 3.33Å; D47-K89 PolarHBondContact O-N 3.22Å; D47-K89 WeakPolarHBondContact OD2-CE 3.22Å; D47-K91 WeakPolarHBondContact OD1-CE 3.25Å; D47-K91 WeakPolarHBondContact OD1-CG 3.18Å; D47-F96 HydrophobicContact CB-CZ 4.43Å
48	Y	95.7	Very high	91.7	Very high	16 Å²	16	61.5 Å²	61.5	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.7	-179.4	-64.2	-96.3	0	0	0	110.5	I40 Q42 T43 K46 Y87 E88 I99	I40-Y48 HydrophobicContact CD1-CD1 4.21Å; I40-Y48 HydrophobicContact CD1-CE1 4.22Å; Q42-Y48 HydrophobicContact CB-CD2 3.99Å; Q42-Y48 HydrophobicContact CB-CE2 3.54Å; Q42-Y48 HydrophobicContact CG-CD1 4.41Å; Q42-Y48 HydrophobicContact CG-CD2 3.69Å; Q42-Y48 HydrophobicContact CG-CE1 4.37Å; Q42-Y48 HydrophobicContact CG-CE2 3.69Å; Q42-Y48 HydrophobicContact CG-CG 4.09Å; T43-Y48 PolarHBondContact N-OH 2.88Å; T43-Y48 PolarHBondContact OG1-OH 2.87Å; K46-Y48 HydrophobicContact CB-CE2 3.77Å; Y48-Y87 VanDerWaalsContact CA-O 3.32Å; Y48-Y87 WeakPolarHBondContact CA-O 3.42Å; Y48-E88 HydrophobicContact CD1-CB 4.01Å; Y48-E88 HydrophobicContact CE1-CB 3.88Å; Y48-I99 HydrophobicContact CD1-CD1 4.49Å; Y48-I99 HydrophobicContact CE1-CD1 4.23Å
49	K	96.3	Very high	91.2	Very high	52 Å²	52	64.8 Å²	64.8	23%	0.226	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.4	173.4	-176.2	-172.5	72	163.4	0	108.7	V63 E64 Y87 F96	K49-V63 HydrophobicContact CD-CG1 3.57Å; K49-V63 HydrophobicContact CG-CG1 3.51Å; K49-E64 CarbonylContact C-O 3.54Å; K49-E64 WeakPolarHBondContact CA-O 3.16Å; K49-Y87 VanDerWaalsContact CE-CD2 3.49Å; K49-Y87 PolarHBondContact N-O 3.49Å; K49-Y87 PolarHBondContact O-N 3.27Å; K49-F96 HydrophobicContact CB-CD1 4.16Å; K49-F96 HydrophobicContact CB-CE1 3.74Å; K49-F96 HydrophobicContact CB-CZ 4.1Å
50	Y	97.8	Very high	91.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.2	-176.8	-57.4	-91.5	0	0	0	108.2	A38 I40 Q42 V63 E64 L66 N67 V69 F84 I86	A38-Y50 HydrophobicContact CB-CD1 4Å; A38-Y50 HydrophobicContact CB-CE1 3.51Å; I40-Y50 HydrophobicContact CD1-CE1 4.31Å; Q42-Y50 PolarHBondContact NE2-OH 2.77Å; Y50-V63 CarbonylContact O-C 3.49Å; Y50-V63 VanDerWaalsContact O-CA 3.31Å; Y50-V63 WeakPolarHBondContact O-CA 3.22Å; Y50-E64 PolarHBondContact N-O 2.87Å; Y50-E64 PolarHBondContact O-N 3.21Å; Y50-L66 WeakPolarHBondContact CD2-O 3.36Å; Y50-N67 HydrophobicContact CE1-CB 4.31Å; Y50-N67 VanDerWaalsContact CE2-CA 3.46Å; Y50-N67 HydrophobicContact CE2-CB 4.07Å; Y50-V69 HydrophobicContact CG-CG2 4.48Å; Y50-F84 AromaticContact CD1-CZ 3.99Å; Y50-F84 HydrophobicContact CD1-CZ 3.99Å; Y50-I86 HydrophobicContact CD1-CB 4.38Å; Y50-I86 HydrophobicContact CD1-CD1 4.28Å; Y50-I86 HydrophobicContact CD1-CG1 3.86Å; Y50-I86 HydrophobicContact CD1-CG2 3.93Å; Y50-I86 HydrophobicContact CE1-CB 4.42Å; Y50-I86 HydrophobicContact CE1-CD1 4.08Å; Y50-I86 HydrophobicContact CE1-CG1 4.06Å; Y50-I86 HydrophobicContact CE1-CG2 3.6Å
51	E	98.1	Very high	91.6	Very high	11 Å²	11	64 Å²	64	5%	0.051	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.9	-174.7	177	172.2	146.6	0	0	109.5	K61 A62 V63 F84 D85 Y87	E51-K61 HydrophobicContact CG-CD 4.28Å; E51-K61 HydrophobicContact CG-CG 4.26Å; E51-K61 WeakPolarHBondContact OE1-CE 3.41Å; E51-K61 IonicContact OE1-NZ 3.66Å; E51-K61 PolarHBondContact OE1-NZ 2.03Å; E51-K61 WeakPolarHBondContact OE2-CE 3.44Å; E51-K61 IonicContact OE2-NZ 3.56Å; E51-K61 PolarHBondContact OE2-NZ 3Å; E51-A62 WeakPolarHBondContact CA-O 3.48Å; E51-V63 HydrophobicContact CB-CG2 4.41Å; E51-V63 HydrophobicContact CG-CG2 4.13Å; E51-F84 CarbonylContact O-C 3.58Å; E51-F84 WeakPolarHBondContact O-CA 3.29Å; E51-F84 WeakPolarHBondContact O-CD2 3.35Å; E51-D85 HydrophobicContact CB-CB 4.27Å; E51-D85 PolarHBondContact N-O 2.9Å; E51-D85 PolarHBondContact O-N 3.2Å; E51-Y87 HydrophobicContact CB-CE2 4.02Å
52	L	98.4	Very high	92.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.7	173.4	-175.4	60.5	0	0	0	108.2	A34 Y36 K61 A62 V69 L71 L82 K83 F84	A34-L52 HydrophobicContact CB-CD2 4.07Å; Y36-L52 HydrophobicContact CD1-CD1 4.13Å; Y36-L52 HydrophobicContact CD1-CD2 3.79Å; Y36-L52 HydrophobicContact CD2-CD1 4.06Å; Y36-L52 HydrophobicContact CE1-CD1 4.25Å; Y36-L52 HydrophobicContact CE1-CD2 4.35Å; Y36-L52 HydrophobicContact CE2-CD1 4.12Å; Y36-L52 HydrophobicContact CG-CD1 4.07Å; Y36-L52 HydrophobicContact CG-CD2 4.14Å; L52-K61 WeakPolarHBondContact O-CA 3.35Å; L52-A62 PolarHBondContact N-O 2.91Å; L52-A62 PolarHBondContact O-N 2.83Å; L52-V69 HydrophobicContact CB-CB 4.16Å; L52-V69 HydrophobicContact CB-CG1 3.6Å; L52-L71 HydrophobicContact CD2-CB 3.7Å; L52-L71 HydrophobicContact CG-CB 4.06Å; L52-L71 HydrophobicContact CG-CD2 4.18Å; L52-L82 HydrophobicContact CD1-CB 4.1Å; L52-L82 HydrophobicContact CD1-CD2 4.32Å; L52-L82 HydrophobicContact CG-CD2 4.48Å; L52-K83 WeakPolarHBondContact CA-O 3.35Å; L52-F84 HydrophobicContact CB-CD2 4.24Å; L52-F84 HydrophobicContact CD1-CB 4.28Å; L52-F84 HydrophobicContact CD1-CD2 4.15Å
53	E	97.8	Very high	92.8	Very high	42 Å²	42	55.3 Å²	55.3	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.2	-177.7	-175.4	-176.4	-171.5	0	0	110.5	L55 S59 L60 K61 L82 K83	E53-L55 HydrophobicContact CG-CD2 4.07Å; E53-S59 PolarHBondContact OE1-OG 3.37Å; E53-S59 VanDerWaalsContact OE1-OG 3.07Å; E53-L60 CarbonylContact C-O 3.59Å; E53-L60 WeakPolarHBondContact CA-O 3.41Å; E53-K61 HydrophobicContact CG-CB 4.44Å; E53-L82 CarbonylContact O-C 3.58Å; E53-L82 WeakPolarHBondContact O-CA 3.36Å; E53-K83 HydrophobicContact CB-CB 4.44Å; E53-K83 PolarHBondContact N-O 2.8Å; E53-K83 PolarHBondContact O-N 2.85Å
54	L	97.6	Very high	93.3	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	111.5	163.6	176.8	64.9	0	0	0	108.9	L60 L71 I74 I80 L82	L54-L60 HydrophobicContact CB-CB 4.08Å; L54-L60 HydrophobicContact CD2-CB 4.48Å; L54-L60 HydrophobicContact CD2-CD1 3.92Å; L54-L60 HydrophobicContact CD2-CG 4.32Å; L54-L60 PolarHBondContact N-O 2.93Å; L54-L71 HydrophobicContact CB-CD2 4.07Å; L54-I74 HydrophobicContact CD1-CG2 4.17Å; L54-I74 HydrophobicContact CD2-CG2 4.23Å; L54-I80 HydrophobicContact CD1-CB 3.75Å; L54-I80 HydrophobicContact CD1-CD1 4.36Å; L54-I80 HydrophobicContact CD1-CG2 4.01Å; L54-L82 HydrophobicContact CB-CD2 4.22Å; L54-L82 HydrophobicContact CD1-CD2 4.23Å
55	L	95.4	Very high	93.6	Very high	54 Å²	54	56.3 Å²	56.3	28%	0.283	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	132.5	175	-57	-175.5	0	0	0	109.9	E53 V81 K83 Q103	E53-L55 HydrophobicContact CG-CD2 4.07Å; L55-V81 HydrophobicContact CB-CB 4.26Å; L55-V81 HydrophobicContact CD1-CG1 3.95Å; L55-V81 PolarHBondContact N-O 2.58Å; L55-K83 HydrophobicContact CD1-CB 4.12Å; L55-K83 HydrophobicContact CD2-CB 4.08Å; L55-K83 HydrophobicContact CD2-CD 4.35Å; L55-K83 HydrophobicContact CG-CB 4.05Å; L55-Q103 HydrophobicContact CD1-CG 4.17Å
56	G	88.3	Confident	93.7	Very high	49 Å²	49	57.8 Å²	57.8	51%	0.505	32%	0.32	S	S	.	.	S	Bend	trans	147.2	-167.7	177.2	0	0	0	0	0	113	K58	G56-K58 VanDerWaalsContact C-N 3.3Å; G56-K58 PolarHBondContact O-N 2.96Å
57	P	77.6	Confident	93.8	Very high	149 Å²	149	58.8 Å²	58.8	97%	0.968	33%	0.327	S	S	*	.	S	Bend	trans	-68.3	-28.4	-173.7	24.4	-32.2	0	0	0	113.3
58	K	79.9	Confident	93.9	Very high	140 Å²	140	60.8 Å²	60.8	61%	0.609	33%	0.333	S	S	*	.	S	Bend	trans	-108.7	85.5	170.5	-169.1	179.5	177	-169	0	107.6	G56 L60	G56-K58 VanDerWaalsContact C-N 3.3Å; G56-K58 PolarHBondContact O-N 2.96Å; K58-L60 PolarHBondContact O-N 3.13Å
59	S	84.6	Confident	94.1	Very high	69 Å²	69	60 Å²	60	48%	0.483	33%	0.33	S	S	.	.			trans	-66.6	116.7	176.1	175.3	0	0	0	0	108.8	E53	E53-S59 PolarHBondContact OE1-OG 3.37Å; E53-S59 VanDerWaalsContact OE1-OG 3.07Å
60	L	94.9	Very high	94.1	Very high	32 Å²	32	60.9 Å²	60.9	17%	0.168	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138	169.9	-63.7	171.9	0	0	0	106.8	E53 L54 K58 L71 D73	E53-L60 CarbonylContact C-O 3.59Å; E53-L60 WeakPolarHBondContact CA-O 3.41Å; L54-L60 HydrophobicContact CB-CB 4.08Å; L54-L60 HydrophobicContact CD2-CB 4.48Å; L54-L60 HydrophobicContact CD2-CD1 3.92Å; L54-L60 HydrophobicContact CD2-CG 4.32Å; L54-L60 PolarHBondContact N-O 2.93Å; K58-L60 PolarHBondContact O-N 3.13Å; L60-L71 HydrophobicContact CB-CD1 3.93Å; L60-L71 HydrophobicContact CB-CD2 4.27Å; L60-L71 HydrophobicContact CB-CG 4.4Å; L60-D73 HydrophobicContact CD1-CB 4.16Å; L60-D73 VanDerWaalsContact CD1-O 3.26Å; L60-D73 WeakPolarHBondContact CD1-O 3.45Å
61	K	97.1	Very high	94.1	Very high	111 Å²	111	61.4 Å²	61.4	48%	0.483	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.3	-176.1	175.4	171.7	163	158.8	0	110.9	E51 L52 E53 V63	E51-K61 HydrophobicContact CG-CD 4.28Å; E51-K61 HydrophobicContact CG-CG 4.26Å; E51-K61 WeakPolarHBondContact OE1-CE 3.41Å; E51-K61 IonicContact OE1-NZ 3.66Å; E51-K61 PolarHBondContact OE1-NZ 2.03Å; E51-K61 WeakPolarHBondContact OE2-CE 3.44Å; E51-K61 IonicContact OE2-NZ 3.56Å; E51-K61 PolarHBondContact OE2-NZ 3Å; L52-K61 WeakPolarHBondContact O-CA 3.35Å; E53-K61 HydrophobicContact CG-CB 4.44Å; K61-V63 HydrophobicContact CD-CG2 4.43Å; K61-V63 VanDerWaalsContact CE-CG2 3.41Å; K61-V63 HydrophobicContact CG-CG2 4.16Å
62	A	97.8	Very high	94	Very high	17 Å²	17	62.9 Å²	62.9	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.5	171.7	0	0	0	0	0	109.3	E51 L52 V69 E70 L71	E51-A62 WeakPolarHBondContact CA-O 3.48Å; L52-A62 PolarHBondContact N-O 2.91Å; L52-A62 PolarHBondContact O-N 2.83Å; A62-V69 HydrophobicContact CB-CG1 3.6Å; A62-E70 WeakPolarHBondContact CB-O 3.32Å; A62-L71 HydrophobicContact CB-CB 4.31Å; A62-L71 HydrophobicContact CB-CD1 3.93Å
63	V	97.5	Very high	93.8	Very high	65 Å²	65	68.2 Å²	68.2	39%	0.394	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.3	-178.6	-179.4	0	0	0	0	108.6	K49 Y50 E51 K61	K49-V63 HydrophobicContact CD-CG1 3.57Å; K49-V63 HydrophobicContact CG-CG1 3.51Å; Y50-V63 CarbonylContact O-C 3.49Å; Y50-V63 VanDerWaalsContact O-CA 3.31Å; Y50-V63 WeakPolarHBondContact O-CA 3.22Å; E51-V63 HydrophobicContact CB-CG2 4.41Å; E51-V63 HydrophobicContact CG-CG2 4.13Å; K61-V63 HydrophobicContact CD-CG2 4.43Å; K61-V63 VanDerWaalsContact CE-CG2 3.41Å; K61-V63 HydrophobicContact CG-CG2 4.16Å
64	E	97.4	Very high	93.6	Very high	83 Å²	83	66.3 Å²	66.3	39%	0.388	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152	-179.2	-67.3	-69.3	170.7	0	0	111.5	K49 Y50 V69	K49-E64 CarbonylContact C-O 3.54Å; K49-E64 WeakPolarHBondContact CA-O 3.16Å; Y50-E64 PolarHBondContact N-O 2.87Å; Y50-E64 PolarHBondContact O-N 3.21Å; E64-V69 HydrophobicContact CB-CG2 4.08Å; E64-V69 HydrophobicContact CG-CB 4.47Å; E64-V69 HydrophobicContact CG-CG1 4.31Å; E64-V69 HydrophobicContact CG-CG2 4.27Å
65	T	94.4	Very high	93.4	Very high	105 Å²	105	67.9 Å²	67.9	64%	0.644	38%	0.379	S	S	*	.	S	Bend	trans	-93.4	-17.1	169	54.9	0	0	0	0	112.1
66	L	93.8	Very high	93.3	Very high	119 Å²	119	65.4 Å²	65.4	62%	0.623	37%	0.366	S	S	*	.	S	Bend	trans	-81	151.9	168.6	-63.4	175.8	0	0	0	109.4	Y50 K68	Y50-L66 WeakPolarHBondContact CD2-O 3.36Å; L66-K68 PolarHBondContact O-N 2.86Å
67	N	94.7	Very high	93.4	Very high	54 Å²	54	63.8 Å²	63.8	29%	0.289	35%	0.347	S	S	.	.	S	Bend	trans	-68.7	9.4	-176.7	72.7	-39.9	0	0	0	115	E37 A38 Y50	E37-N67 CarbonylContact C-O 3.59Å; E37-N67 VanDerWaalsContact CA-O 3.3Å; E37-N67 WeakPolarHBondContact CA-O 3.38Å; A38-N67 PolarHBondContact N-O 2.8Å; A38-N67 WeakPolarHBondContact O-CB 3.39Å; A38-N67 PolarHBondContact O-ND2 2.93Å; Y50-N67 HydrophobicContact CE1-CB 4.31Å; Y50-N67 VanDerWaalsContact CE2-CA 3.46Å; Y50-N67 HydrophobicContact CE2-CB 4.07Å
68	K	97.6	Very high	94.1	Very high	100 Å²	100	62.1 Å²	62.1	44%	0.435	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.3	-179.5	-178.4	-176.7	174.7	-168.9	0	109.2	I35 Y36 E37 L66	I35-K68 HydrophobicContact CG2-CD 4.34Å; I35-K68 HydrophobicContact CG2-CG 4.11Å; Y36-K68 CarbonylContact O-C 3.58Å; Y36-K68 VanDerWaalsContact O-CA 3.3Å; Y36-K68 WeakPolarHBondContact O-CA 3.39Å; E37-K68 HydrophobicContact CB-CG 4.49Å; E37-K68 HydrophobicContact CG-CB 4.45Å; L66-K68 PolarHBondContact O-N 2.86Å
69	V	98	Very high	94.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.7	177	-168.9	0	0	0	0	109	I35 Y36 Y50 L52 A62 E64 F84	I35-V69 CarbonylContact C-O 3.58Å; I35-V69 WeakPolarHBondContact CA-O 3.24Å; Y36-V69 PolarHBondContact N-O 3.37Å; Y36-V69 PolarHBondContact O-N 2.94Å; Y50-V69 HydrophobicContact CG-CG2 4.48Å; L52-V69 HydrophobicContact CB-CB 4.16Å; L52-V69 HydrophobicContact CB-CG1 3.6Å; A62-V69 HydrophobicContact CB-CG1 3.6Å; E64-V69 HydrophobicContact CB-CG2 4.08Å; E64-V69 HydrophobicContact CG-CB 4.47Å; E64-V69 HydrophobicContact CG-CG1 4.31Å; E64-V69 HydrophobicContact CG-CG2 4.27Å; V69-F84 HydrophobicContact CB-CE2 4.38Å; V69-F84 HydrophobicContact CG2-CE2 3.9Å
70	E	97.8	Very high	95.3	Very high	71 Å²	71	58.9 Å²	58.9	33%	0.332	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.6	171.4	-178.9	164	-166.3	0	0	109.1	R30 C33 A34 I35 A62	R30-E70 IonicContact CZ-OE1 2.65Å; R30-E70 IonicContact NH2-OE1 2.79Å; R30-E70 PolarHBondContact NH2-OE1 2.81Å; R30-E70 IonicContact NH2-OE2 3.05Å; C33-E70 HydrophobicContact CB-CG 4.43Å; A34-E70 WeakPolarHBondContact O-CA 3.18Å; I35-E70 HydrophobicContact CG1-CB 4.13Å; I35-E70 HydrophobicContact CG1-CG 3.77Å; A62-E70 WeakPolarHBondContact CB-O 3.32Å
71	L	97.6	Very high	95.4	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.052	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.3	174.9	-176.9	66.5	0	0	0	108.4	C33 A34 L52 L54 L60 A62 I74 L82	C33-L71 CarbonylContact C-O 3.59Å; C33-L71 WeakPolarHBondContact CA-O 3.35Å; A34-L71 PolarHBondContact N-O 2.88Å; A34-L71 PolarHBondContact O-N 2.97Å; L52-L71 HydrophobicContact CD2-CB 3.7Å; L52-L71 HydrophobicContact CG-CB 4.06Å; L52-L71 HydrophobicContact CG-CD2 4.18Å; L54-L71 HydrophobicContact CB-CD2 4.07Å; L60-L71 HydrophobicContact CB-CD1 3.93Å; L60-L71 HydrophobicContact CB-CD2 4.27Å; L60-L71 HydrophobicContact CB-CG 4.4Å; A62-L71 HydrophobicContact CB-CB 4.31Å; A62-L71 HydrophobicContact CB-CD1 3.93Å; L71-I74 HydrophobicContact CB-CD1 4.36Å; L71-I74 HydrophobicContact CD2-CD1 4.27Å; L71-I74 HydrophobicContact CD2-CG1 4.48Å; L71-I74 HydrophobicContact CG-CD1 4.18Å; L71-I74 HydrophobicContact CG-CG1 4.31Å; L71-I74 VanDerWaalsContact O-CD1 3.29Å; L71-I74 WeakPolarHBondContact O-CD1 3.1Å; L71-L82 HydrophobicContact CD2-CD2 4.02Å
72	C	95.3	Very high	95.4	Very high	43 Å²	43	54 Å²	54	29%	0.291	29%	0.289	S	S	.	.			trans	-115.3	-174.9	-179.2	-65.5	0	0	0	0	111.9	D32 C33 I74	D32-C72 CarbonylContact O-C 3.57Å; D32-C72 WeakPolarHBondContact O-CA 3.3Å; C33-C72 HydrophobicContact CB-CB 4.12Å; C33-C72 WeakPolarHBondContact CB-SG 3.28Å; C33-C72 WeakPolarHBondContact SG-CB 3.04Å; C33-C72 CovalentContact SG-SG 2.05Å; C33-C72 PolarHBondContact SG-SG 2.95Å; C72-I74 PolarHBondContact O-N 2.52Å
73	D	93.9	Very high	95.4	Very high	111 Å²	111	55.4 Å²	55.4	59%	0.594	29%	0.292	S	S	*	.			trans	61.7	24.5	-175.8	-58.1	-55.6	0	0	0	113.9	D32 L60	D32-D73 PolarHBondContact O-N 3.1Å; D32-D73 WeakPolarHBondContact OD2-CA 3.5Å; D32-D73 PolarHBondContact OD2-N 3.37Å; D32-D73 VanDerWaalsContact OD2-N 3.14Å; L60-D73 HydrophobicContact CD1-CB 4.16Å; L60-D73 VanDerWaalsContact CD1-O 3.26Å; L60-D73 WeakPolarHBondContact CD1-O 3.45Å
74	I	94.5	Very high	95.4	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-79.4	133.5	179.6	-58	169.3	0	0	0	109.2	D32 A34 L54 L71 C72 M76 I80 L82 L108	D32-I74 WeakPolarHBondContact CB-O 2.81Å; D32-I74 VanDerWaalsContact O-CB 3.3Å; D32-I74 WeakPolarHBondContact O-CB 3.08Å; D32-I74 WeakPolarHBondContact O-CG1 3.35Å; D32-I74 PolarHBondContact O-N 3.05Å; A34-I74 HydrophobicContact CB-CD1 3.67Å; L54-I74 HydrophobicContact CD1-CG2 4.17Å; L54-I74 HydrophobicContact CD2-CG2 4.23Å; L71-I74 HydrophobicContact CB-CD1 4.36Å; L71-I74 HydrophobicContact CD2-CD1 4.27Å; L71-I74 HydrophobicContact CD2-CG1 4.48Å; L71-I74 HydrophobicContact CG-CD1 4.18Å; L71-I74 HydrophobicContact CG-CG1 4.31Å; L71-I74 VanDerWaalsContact O-CD1 3.29Å; L71-I74 WeakPolarHBondContact O-CD1 3.1Å; C72-I74 PolarHBondContact O-N 2.52Å; I74-M76 PolarHBondContact O-N 2.93Å; I74-I80 HydrophobicContact CG2-CD1 3.24Å; I74-I80 HydrophobicContact CG2-CG1 4.44Å; I74-I80 HydrophobicContact CG2-CG2 4.25Å; I74-L82 HydrophobicContact CD1-CD2 4.06Å; I74-L108 HydrophobicContact CB-CD1 3.79Å; I74-L108 HydrophobicContact CD1-CD1 4.42Å; I74-L108 HydrophobicContact CG2-CD1 3.71Å
75	P	93.2	Very high	95.4	Very high	42 Å²	42	48.4 Å²	48.4	27%	0.273	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-53.4	131.8	174.2	-25.9	34.8	0	0	0	112
76	M	92.6	Very high	95.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.224	C	C	.	.	S	Bend	trans	-94.5	163.4	-176.6	-57.2	-166	67.6	0	0	111.7	Y31 D32 I74 K78 L108 A110 P111 Q132 D133 N136 C137	Y31-M76 VanDerWaalsContact O-CE 3.23Å; Y31-M76 WeakPolarHBondContact O-CE 3.49Å; D32-M76 HydrophobicContact CB-CG 4.01Å; D32-M76 HydrophobicContact CB-SD 4.09Å; I74-M76 PolarHBondContact O-N 2.93Å; M76-K78 PolarHBondContact O-N 2.81Å; M76-L108 HydrophobicContact CE-CB 4.31Å; M76-A110 WeakPolarHBondContact CE-O 3.38Å; M76-P111 HydrophobicContact CE-CB 4.23Å; M76-Q132 HydrophobicContact SD-CB 4.14Å; M76-Q132 HydrophobicContact SD-CG 3.85Å; M76-D133 HydrophobicContact CB-CB 4.03Å; M76-D133 HydrophobicContact CG-CB 4.25Å; M76-D133 PolarHBondContact N-OD2 2.87Å; M76-N136 WeakPolarHBondContact O-CB 3.31Å; M76-C137 VanDerWaalsContact CB-SG 3.59Å
77	C	92.1	Very high	95.6	Very high	15 Å²	15	39.6 Å²	39.6	10%	0.101	20%	0.202	C	C	.	.	S	Bend	trans	54.2	23.1	173.1	-51.5	0	0	0	0	114.8	L108 N136 C137 K140	C77-L108 PolarHBondContact N-O 2.89Å; C77-N136 HydrophobicContact CB-CB 4.44Å; C77-N136 WeakPolarHBondContact CB-O 3.12Å; C77-C137 HydrophobicContact CB-CB 3.85Å; C77-C137 WeakPolarHBondContact CB-SG 3.1Å; C77-C137 WeakPolarHBondContact SG-CA 3.02Å; C77-C137 WeakPolarHBondContact SG-CB 3.48Å; C77-C137 CovalentContact SG-SG 2.03Å; C77-C137 PolarHBondContact SG-SG 2.81Å; C77-K140 HydrophobicContact CB-CD 4.44Å; C77-K140 HydrophobicContact CB-CG 4.03Å
78	K	92.2	Very high	95.6	Very high	114 Å²	114	38.3 Å²	38.3	50%	0.496	19%	0.194	S	C	.	.	S	Bend	trans	-138.3	141.1	-176.3	-177.6	177.4	-179.8	176.2	0	108.2	M76 I80 S107	M76-K78 PolarHBondContact O-N 2.81Å; K78-I80 PolarHBondContact O-N 3.27Å; K78-S107 PolarHBondContact N-OG 2.8Å; K78-S107 WeakPolarHBondContact O-CA 3.35Å
79	N	93.7	Very high	95.5	Very high	126 Å²	126	35.9 Å²	35.9	67%	0.674	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	124.7	172.2	-75.8	-8.5	0	0	0	110.3	K106 S107	N79-K106 CarbonylContact C-O 3.59Å; N79-K106 WeakPolarHBondContact CA-O 3.03Å; N79-S107 WeakPolarHBondContact OD1-CB 3Å
80	I	94.8	Very high	95.3	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	160.9	178.7	55	165.8	0	0	0	109.2	L54 I74 K78 L82 E105 K106 L108	L54-I80 HydrophobicContact CD1-CB 3.75Å; L54-I80 HydrophobicContact CD1-CD1 4.36Å; L54-I80 HydrophobicContact CD1-CG2 4.01Å; I74-I80 HydrophobicContact CG2-CD1 3.24Å; I74-I80 HydrophobicContact CG2-CG1 4.44Å; I74-I80 HydrophobicContact CG2-CG2 4.25Å; K78-I80 PolarHBondContact O-N 3.27Å; I80-L82 HydrophobicContact CD1-CD1 4.18Å; I80-L82 HydrophobicContact CD1-CG 4.24Å; I80-E105 WeakPolarHBondContact O-CA 3.3Å; I80-K106 HydrophobicContact CG1-CB 4.27Å; I80-K106 WeakPolarHBondContact CG1-O 3.23Å; I80-K106 PolarHBondContact N-O 2.88Å; I80-K106 PolarHBondContact O-N 2.59Å; I80-L108 HydrophobicContact CD1-CD1 4.31Å; I80-L108 HydrophobicContact CD1-CD2 4.37Å; I80-L108 HydrophobicContact CD1-CG 4.04Å
81	V	96.8	Very high	95	Very high	40 Å²	40	44.9 Å²	44.9	24%	0.242	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120	173.8	-172.7	0	0	0	0	109	L55 Q103 Y104 E105	L55-V81 HydrophobicContact CB-CB 4.26Å; L55-V81 HydrophobicContact CD1-CG1 3.95Å; L55-V81 PolarHBondContact N-O 2.58Å; V81-Q103 HydrophobicContact CG1-CB 3.99Å; V81-Q103 HydrophobicContact CG1-CG 4.42Å; V81-Y104 WeakPolarHBondContact CA-O 3.1Å; V81-E105 HydrophobicContact CG2-CG 4.26Å
82	L	97.3	Very high	94.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.2	175.6	-70.5	166.6	0	0	0	109.6	Y29 A34 Y36 L52 E53 L54 L71 I74 I80 Q103 Y104	Y29-L82 HydrophobicContact CE1-CD1 3.86Å; A34-L82 HydrophobicContact CB-CD1 3.58Å; Y36-L82 HydrophobicContact CE1-CD1 4.26Å; L52-L82 HydrophobicContact CD1-CB 4.1Å; L52-L82 HydrophobicContact CD1-CD2 4.32Å; L52-L82 HydrophobicContact CG-CD2 4.48Å; E53-L82 CarbonylContact O-C 3.58Å; E53-L82 WeakPolarHBondContact O-CA 3.36Å; L54-L82 HydrophobicContact CB-CD2 4.22Å; L54-L82 HydrophobicContact CD1-CD2 4.23Å; L71-L82 HydrophobicContact CD2-CD2 4.02Å; I74-L82 HydrophobicContact CD1-CD2 4.06Å; I80-L82 HydrophobicContact CD1-CD1 4.18Å; I80-L82 HydrophobicContact CD1-CG 4.24Å; L82-Q103 CarbonylContact O-C 3.55Å; L82-Q103 WeakPolarHBondContact O-CA 3.36Å; L82-Y104 PolarHBondContact N-O 3.03Å; L82-Y104 PolarHBondContact O-N 3.47Å
83	K	97.6	Very high	94.4	Very high	48 Å²	48	51.9 Å²	51.9	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.9	172.9	-171	-176.6	-179	-133	0	109.3	L52 E53 L55 D85 S101 K102 Q103	L52-K83 WeakPolarHBondContact CA-O 3.35Å; E53-K83 HydrophobicContact CB-CB 4.44Å; E53-K83 PolarHBondContact N-O 2.8Å; E53-K83 PolarHBondContact O-N 2.85Å; L55-K83 HydrophobicContact CD1-CB 4.12Å; L55-K83 HydrophobicContact CD2-CB 4.08Å; L55-K83 HydrophobicContact CD2-CD 4.35Å; L55-K83 HydrophobicContact CG-CB 4.05Å; K83-D85 WeakPolarHBondContact CE-OD2 3.48Å; K83-D85 IonicContact NZ-OD1 3.71Å; K83-D85 IonicContact NZ-OD2 2.9Å; K83-D85 PolarHBondContact NZ-OD2 3.28Å; K83-S101 WeakPolarHBondContact CE-OG 3.27Å; K83-K102 WeakPolarHBondContact CA-O 3.2Å; K83-Q103 HydrophobicContact CB-CG 4.21Å; K83-Q103 HydrophobicContact CG-CG 4.07Å
84	F	98	Very high	94.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.7	174.3	-170.9	-117.3	0	0	0	110	I25 Y36 A38 Y50 E51 L52 V69 I86 F100 S101 K102 Y104	I25-F84 HydrophobicContact CD1-CD1 4.33Å; I25-F84 HydrophobicContact CD1-CE1 3.88Å; I25-F84 HydrophobicContact CG1-CD1 4.48Å; I25-F84 HydrophobicContact CG1-CE1 4.45Å; I25-F84 HydrophobicContact CG2-CD1 4.04Å; I25-F84 HydrophobicContact CG2-CE1 4.06Å; Y36-F84 HydrophobicContact CD2-CB 3.75Å; Y36-F84 HydrophobicContact CD2-CD1 4.11Å; Y36-F84 AromaticContact CD2-CD2 3.79Å; Y36-F84 HydrophobicContact CD2-CD2 3.79Å; Y36-F84 HydrophobicContact CD2-CE2 4.4Å; Y36-F84 AromaticContact CD2-CG 3.62Å; Y36-F84 HydrophobicContact CD2-CG 3.62Å; Y36-F84 HydrophobicContact CE2-CB 3.97Å; Y36-F84 HydrophobicContact CE2-CG 4.34Å; Y36-F84 HydrophobicContact CG-CD2 4.2Å; Y36-F84 HydrophobicContact CG-CG 4.45Å; A38-F84 HydrophobicContact CB-CE1 4.46Å; Y50-F84 AromaticContact CD1-CZ 3.99Å; Y50-F84 HydrophobicContact CD1-CZ 3.99Å; E51-F84 CarbonylContact O-C 3.58Å; E51-F84 WeakPolarHBondContact O-CA 3.29Å; E51-F84 WeakPolarHBondContact O-CD2 3.35Å; L52-F84 HydrophobicContact CB-CD2 4.24Å; L52-F84 HydrophobicContact CD1-CB 4.28Å; L52-F84 HydrophobicContact CD1-CD2 4.15Å; V69-F84 HydrophobicContact CB-CE2 4.38Å; V69-F84 HydrophobicContact CG2-CE2 3.9Å; F84-I86 HydrophobicContact CD1-CG1 4.34Å; F84-I86 HydrophobicContact CE1-CD1 3.94Å; F84-I86 HydrophobicContact CE1-CG1 3.76Å; F84-I86 HydrophobicContact CZ-CG1 4.27Å; F84-F100 HydrophobicContact CD1-CD1 4.24Å; F84-F100 HydrophobicContact CD1-CE1 4.07Å; F84-S101 WeakPolarHBondContact O-CA 3.45Å; F84-K102 PolarHBondContact N-O 3.27Å; F84-K102 PolarHBondContact O-N 3.06Å; F84-Y104 HydrophobicContact CB-CD2 4.49Å; F84-Y104 HydrophobicContact CB-CE2 4.01Å
85	D	97.2	Very high	94.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.8	178.6	-71.2	-52.9	0	0	0	110.7	E51 K83 Y87 N98 F100 S101	E51-D85 HydrophobicContact CB-CB 4.27Å; E51-D85 PolarHBondContact N-O 2.9Å; E51-D85 PolarHBondContact O-N 3.2Å; K83-D85 WeakPolarHBondContact CE-OD2 3.48Å; K83-D85 IonicContact NZ-OD1 3.71Å; K83-D85 IonicContact NZ-OD2 2.9Å; K83-D85 PolarHBondContact NZ-OD2 3.28Å; D85-Y87 HydrophobicContact CB-CD2 4.29Å; D85-Y87 HydrophobicContact CB-CE2 3.44Å; D85-Y87 VanDerWaalsContact CB-CE2 3.44Å; D85-Y87 PolarHBondContact OD2-OH 3.05Å; D85-N98 PolarHBondContact OD1-ND2 2.82Å; D85-F100 CarbonylContact C-O 3.56Å; D85-F100 VanDerWaalsContact CA-O 3.3Å; D85-F100 WeakPolarHBondContact CA-O 3.37Å; D85-S101 VanDerWaalsContact OD1-CA 3.3Å; D85-S101 WeakPolarHBondContact OD1-CA 3.07Å; D85-S101 WeakPolarHBondContact OD1-CB 3.21Å; D85-S101 PolarHBondContact OD1-OG 3.2Å
86	I	97	Very high	94.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.2	170.3	-49.9	176	0	0	0	107.9	V20 I25 A38 I40 Y50 F84 I99 F100	V20-I86 HydrophobicContact CG1-CD1 3.89Å; I25-I86 HydrophobicContact CD1-CD1 3.94Å; A38-I86 HydrophobicContact CB-CD1 3.92Å; I40-I86 HydrophobicContact CD1-CD1 4.48Å; I40-I86 HydrophobicContact CD1-CG2 4.23Å; Y50-I86 HydrophobicContact CD1-CB 4.38Å; Y50-I86 HydrophobicContact CD1-CD1 4.28Å; Y50-I86 HydrophobicContact CD1-CG1 3.86Å; Y50-I86 HydrophobicContact CD1-CG2 3.93Å; Y50-I86 HydrophobicContact CE1-CB 4.42Å; Y50-I86 HydrophobicContact CE1-CD1 4.08Å; Y50-I86 HydrophobicContact CE1-CG1 4.06Å; Y50-I86 HydrophobicContact CE1-CG2 3.6Å; F84-I86 HydrophobicContact CD1-CG1 4.34Å; F84-I86 HydrophobicContact CE1-CD1 3.94Å; F84-I86 HydrophobicContact CE1-CG1 3.76Å; F84-I86 HydrophobicContact CZ-CG1 4.27Å; I86-I99 HydrophobicContact CB-CG1 4.06Å; I86-I99 HydrophobicContact CG2-CD1 3.89Å; I86-I99 HydrophobicContact CG2-CG1 3.92Å; I86-I99 WeakPolarHBondContact O-CG1 3.45Å; I86-I99 PolarHBondContact O-N 3.06Å; I86-F100 HydrophobicContact CB-CB 3.94Å; I86-F100 HydrophobicContact CD1-CB 3.99Å; I86-F100 HydrophobicContact CD1-CD1 4.18Å; I86-F100 HydrophobicContact CD1-CG 4.22Å; I86-F100 HydrophobicContact CG1-CB 3.99Å; I86-F100 HydrophobicContact CG1-CD1 4.15Å; I86-F100 HydrophobicContact CG1-CG 4.42Å; I86-F100 PolarHBondContact N-O 2.98Å; I86-F100 PolarHBondContact O-N 3.33Å
87	Y	95.6	Very high	94.4	Very high	39 Å²	39	69.9 Å²	69.9	15%	0.153	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.2	176.4	-53.8	-97.6	0	0	0	110.3	Y48 K49 E51 D85 F96 R97 N98	Y48-Y87 VanDerWaalsContact CA-O 3.32Å; Y48-Y87 WeakPolarHBondContact CA-O 3.42Å; K49-Y87 VanDerWaalsContact CE-CD2 3.49Å; K49-Y87 PolarHBondContact N-O 3.49Å; K49-Y87 PolarHBondContact O-N 3.27Å; E51-Y87 HydrophobicContact CB-CE2 4.02Å; D85-Y87 HydrophobicContact CB-CD2 4.29Å; D85-Y87 HydrophobicContact CB-CE2 3.44Å; D85-Y87 VanDerWaalsContact CB-CE2 3.44Å; D85-Y87 PolarHBondContact OD2-OH 3.05Å; Y87-F96 HydrophobicContact CD1-CB 4.44Å; Y87-R97 CarbonylContact C-O 3.47Å; Y87-R97 WeakPolarHBondContact CA-O 3.4Å; Y87-N98 HydrophobicContact CD1-CB 3.85Å; Y87-N98 HydrophobicContact CE1-CB 3.74Å
88	E	95.2	Very high	94.5	Very high	28 Å²	28	72 Å²	72	13%	0.131	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.2	168.8	73.5	179.6	-161.8	0	0	110.4	K46 D47 Y48 F96 R97 I99	K46-E88 HydrophobicContact CD-CB 4.19Å; K46-E88 HydrophobicContact CD-CG 4.15Å; K46-E88 WeakPolarHBondContact CD-OE2 3.43Å; K46-E88 IonicContact NZ-OE1 2.68Å; K46-E88 PolarHBondContact NZ-OE1 2.86Å; K46-E88 IonicContact NZ-OE2 2.74Å; K46-E88 PolarHBondContact NZ-OE2 3.05Å; D47-E88 CarbonylContact O-C 3.5Å; D47-E88 VanDerWaalsContact O-CA 3.28Å; D47-E88 WeakPolarHBondContact O-CA 3.48Å; Y48-E88 HydrophobicContact CD1-CB 4.01Å; Y48-E88 HydrophobicContact CE1-CB 3.88Å; E88-F96 CarbonylContact O-C 3.53Å; E88-F96 WeakPolarHBondContact O-CA 3.22Å; E88-R97 PolarHBondContact N-O 2.79Å; E88-R97 PolarHBondContact O-N 2.65Å; E88-I99 HydrophobicContact CB-CD1 4.23Å; E88-I99 HydrophobicContact CB-CG2 4.45Å; E88-I99 HydrophobicContact CG-CD1 4.37Å; E88-I99 HydrophobicContact CG-CG2 3.56Å
89	K	94.8	Very high	94.6	Very high	49 Å²	49	68.9 Å²	68.9	21%	0.213	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.7	162.9	66.5	171.2	-174.7	162.9	0	109.7	K46 D47 E95 F96	K46-K89 CarbonylContact C-O 3.48Å; K46-K89 WeakPolarHBondContact CA-O 3.47Å; K46-K89 VanDerWaalsContact CB-O 3.29Å; K46-K89 WeakPolarHBondContact CB-O 3.42Å; D47-K89 HydrophobicContact CB-CG 3.99Å; D47-K89 PolarHBondContact N-O 3.33Å; D47-K89 PolarHBondContact O-N 3.22Å; D47-K89 WeakPolarHBondContact OD2-CE 3.22Å; K89-E95 WeakPolarHBondContact CB-O 3.41Å; K89-F96 HydrophobicContact CB-CD1 4Å; K89-F96 HydrophobicContact CB-CE1 4.25Å; K89-F96 HydrophobicContact CB-CG 4.17Å; K89-F96 HydrophobicContact CD-CD1 4.43Å; K89-F96 HydrophobicContact CD-CD2 3.87Å; K89-F96 HydrophobicContact CD-CE1 4.17Å; K89-F96 HydrophobicContact CD-CE2 3.57Å; K89-F96 HydrophobicContact CD-CG 4.3Å; K89-F96 HydrophobicContact CD-CZ 3.74Å; K89-F96 HydrophobicContact CG-CD1 3.96Å; K89-F96 HydrophobicContact CG-CD2 4.29Å; K89-F96 HydrophobicContact CG-CE1 3.71Å; K89-F96 HydrophobicContact CG-CE2 4.06Å; K89-F96 HydrophobicContact CG-CG 4.26Å; K89-F96 HydrophobicContact CG-CZ 3.76Å
90	K	94	Very high	94.6	Very high	147 Å²	147	63.9 Å²	63.9	64%	0.639	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	144.8	162.9	-67.4	-174.6	177.6	-177.7	0	108.8	N92 G93	K90-N92 PolarHBondContact O-N 3.27Å; K90-G93 WeakPolarHBondContact O-CA 3.48Å; K90-G93 PolarHBondContact O-N 3.41Å
91	K	91.9	Very high	94.7	Very high	113 Å²	113	66.2 Å²	66.2	49%	0.491	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.4	177.9	-80.5	177.9	170.5	177.1	0	113.9	P44 D45 D47 G93	P44-K91 WeakPolarHBondContact O-CE 3.31Å; P44-K91 PolarHBondContact O-NZ 3.33Å; D45-K91 PolarHBondContact O-N 3.25Å; D47-K91 WeakPolarHBondContact OD1-CE 3.25Å; D47-K91 WeakPolarHBondContact OD1-CG 3.18Å; K91-G93 VanDerWaalsContact C-N 3.34Å
92	N	90.4	Very high	94.7	Very high	171 Å²	171	67.6 Å²	67.6	91%	0.914	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	4.9	177.5	-58.6	-7.8	0	0	0	113	K90	K90-N92 PolarHBondContact O-N 3.27Å
93	G	90.2	Very high	94.7	Very high	28 Å²	28	73 Å²	73	29%	0.289	36%	0.359	S	S	.	.			trans	-88.7	154	178	0	0	0	0	0	112.1	K90 K91	K90-G93 WeakPolarHBondContact O-CA 3.48Å; K90-G93 PolarHBondContact O-N 3.41Å; K91-G93 VanDerWaalsContact C-N 3.34Å
94	S	89.6	Confident	94.6	Very high	111 Å²	111	71.1 Å²	71.1	78%	0.776	35%	0.351	S	S	*	.	S	Bend	trans	-86.1	-33.1	177.7	49	0	0	0	0	113.2
95	E	93.4	Very high	94.4	Very high	164 Å²	164	78.6 Å²	78.6	77%	0.766	39%	0.386	S	S	*	.			trans	-114.7	134.9	-166.6	-68.5	-178.1	-179.9	0	0	113.2	K89	K89-E95 WeakPolarHBondContact CB-O 3.41Å
96	F	95.1	Very high	94.3	Very high	75 Å²	75	79.6 Å²	79.6	33%	0.329	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-80.7	127.3	168.8	-84.7	-81.6	0	0	0	110.1	D47 K49 Y87 E88 K89	D47-F96 HydrophobicContact CB-CZ 4.43Å; K49-F96 HydrophobicContact CB-CD1 4.16Å; K49-F96 HydrophobicContact CB-CE1 3.74Å; K49-F96 HydrophobicContact CB-CZ 4.1Å; Y87-F96 HydrophobicContact CD1-CB 4.44Å; E88-F96 CarbonylContact O-C 3.53Å; E88-F96 WeakPolarHBondContact O-CA 3.22Å; K89-F96 HydrophobicContact CB-CD1 4Å; K89-F96 HydrophobicContact CB-CE1 4.25Å; K89-F96 HydrophobicContact CB-CG 4.17Å; K89-F96 HydrophobicContact CD-CD1 4.43Å; K89-F96 HydrophobicContact CD-CD2 3.87Å; K89-F96 HydrophobicContact CD-CE1 4.17Å; K89-F96 HydrophobicContact CD-CE2 3.57Å; K89-F96 HydrophobicContact CD-CG 4.3Å; K89-F96 HydrophobicContact CD-CZ 3.74Å; K89-F96 HydrophobicContact CG-CD1 3.96Å; K89-F96 HydrophobicContact CG-CD2 4.29Å; K89-F96 HydrophobicContact CG-CE1 3.71Å; K89-F96 HydrophobicContact CG-CE2 4.06Å; K89-F96 HydrophobicContact CG-CG 4.26Å; K89-F96 HydrophobicContact CG-CZ 3.76Å
97	R	94.5	Very high	94	Very high	185 Å²	185	80.1 Å²	80.1	70%	0.698	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.3	170.1	175.9	179	172	175.9	-0.4	109.6	Y87 E88 I99	Y87-R97 CarbonylContact C-O 3.47Å; Y87-R97 WeakPolarHBondContact CA-O 3.4Å; E88-R97 PolarHBondContact N-O 2.79Å; E88-R97 PolarHBondContact O-N 2.65Å; R97-I99 PolarHBondContact O-N 3.14Å
98	N	94.8	Very high	93.9	Very high	58 Å²	58	78.3 Å²	78.3	31%	0.31	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.7	169.7	-174.6	-61.3	0	0	0	109.7	D85 Y87 F100	D85-N98 PolarHBondContact OD1-ND2 2.82Å; Y87-N98 HydrophobicContact CD1-CB 3.85Å; Y87-N98 HydrophobicContact CE1-CB 3.74Å; N98-F100 PolarHBondContact ND2-O 2.94Å; N98-F100 PolarHBondContact OD1-N 3.27Å; N98-F100 VanDerWaalsContact OD1-N 3.08Å; N98-F100 PolarHBondContact OD1-O 3.3Å
99	I	93.6	Very high	93.5	Very high	50 Å²	50	79.2 Å²	79.2	26%	0.256	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-12.6	177.8	57.9	167.3	0	0	0	112.9	V20 Y48 I86 E88 R97	V20-I99 HydrophobicContact CG2-CD1 4.14Å; Y48-I99 HydrophobicContact CD1-CD1 4.49Å; Y48-I99 HydrophobicContact CE1-CD1 4.23Å; I86-I99 HydrophobicContact CB-CG1 4.06Å; I86-I99 HydrophobicContact CG2-CD1 3.89Å; I86-I99 HydrophobicContact CG2-CG1 3.92Å; I86-I99 WeakPolarHBondContact O-CG1 3.45Å; I86-I99 PolarHBondContact O-N 3.06Å; E88-I99 HydrophobicContact CB-CD1 4.23Å; E88-I99 HydrophobicContact CB-CG2 4.45Å; E88-I99 HydrophobicContact CG-CD1 4.37Å; E88-I99 HydrophobicContact CG-CG2 3.56Å; R97-I99 PolarHBondContact O-N 3.14Å
100	F	95.3	Very high	93.3	Very high	20 Å²	20	77.1 Å²	77.1	9%	0.088	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	136	176.2	-177.4	-93.8	0	0	0	109.3	V20 I25 F84 D85 I86 N98 K102	V20-F100 HydrophobicContact CB-CB 4.07Å; V20-F100 HydrophobicContact CB-CD2 3.92Å; V20-F100 HydrophobicContact CB-CG 4.27Å; V20-F100 HydrophobicContact CG1-CB 4.23Å; V20-F100 HydrophobicContact CG1-CD2 3.76Å; V20-F100 HydrophobicContact CG1-CE2 4.32Å; V20-F100 HydrophobicContact CG1-CG 4.04Å; V20-F100 WeakPolarHBondContact O-CD2 3.32Å; I25-F100 HydrophobicContact CD1-CE1 4.44Å; I25-F100 HydrophobicContact CG1-CE1 4.04Å; I25-F100 HydrophobicContact CG1-CZ 3.91Å; F84-F100 HydrophobicContact CD1-CD1 4.24Å; F84-F100 HydrophobicContact CD1-CE1 4.07Å; D85-F100 CarbonylContact C-O 3.56Å; D85-F100 VanDerWaalsContact CA-O 3.3Å; D85-F100 WeakPolarHBondContact CA-O 3.37Å; I86-F100 HydrophobicContact CB-CB 3.94Å; I86-F100 HydrophobicContact CD1-CB 3.99Å; I86-F100 HydrophobicContact CD1-CD1 4.18Å; I86-F100 HydrophobicContact CD1-CG 4.22Å; I86-F100 HydrophobicContact CG1-CB 3.99Å; I86-F100 HydrophobicContact CG1-CD1 4.15Å; I86-F100 HydrophobicContact CG1-CG 4.42Å; I86-F100 PolarHBondContact N-O 2.98Å; I86-F100 PolarHBondContact O-N 3.33Å; N98-F100 PolarHBondContact ND2-O 2.94Å; N98-F100 PolarHBondContact OD1-N 3.27Å; N98-F100 VanDerWaalsContact OD1-N 3.08Å; N98-F100 PolarHBondContact OD1-O 3.3Å; F100-K102 HydrophobicContact CE1-CB 3.59Å; F100-K102 HydrophobicContact CE2-CB 4.49Å; F100-K102 HydrophobicContact CZ-CB 3.54Å; F100-K102 HydrophobicContact CZ-CD 4.19Å; F100-K102 HydrophobicContact CZ-CG 4.47Å
101	S	95.8	Very high	93.1	Very high	64 Å²	64	70.2 Å²	70.2	45%	0.448	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	123.1	172.4	-166.7	0	0	0	0	108.8	K83 F84 D85	K83-S101 WeakPolarHBondContact CE-OG 3.27Å; F84-S101 WeakPolarHBondContact O-CA 3.45Å; D85-S101 VanDerWaalsContact OD1-CA 3.3Å; D85-S101 WeakPolarHBondContact OD1-CA 3.07Å; D85-S101 WeakPolarHBondContact OD1-CB 3.21Å; D85-S101 PolarHBondContact OD1-OG 3.2Å
102	K	96.8	Very high	92.9	Very high	69 Å²	69	69.5 Å²	69.5	30%	0.3	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.7	174.2	-171.7	156.2	177.4	152.9	0	111.4	E22 K83 F84 F100 Y104	E22-K102 HydrophobicContact CB-CD 4.35Å; E22-K102 HydrophobicContact CG-CD 4.38Å; E22-K102 VanDerWaalsContact OE1-CE 3.25Å; E22-K102 WeakPolarHBondContact OE1-CE 3.32Å; E22-K102 IonicContact OE1-NZ 2.88Å; E22-K102 PolarHBondContact OE1-NZ 3.14Å; E22-K102 VanDerWaalsContact OE1-NZ 3.13Å; E22-K102 IonicContact OE2-NZ 2.63Å; E22-K102 PolarHBondContact OE2-NZ 2.61Å; K83-K102 WeakPolarHBondContact CA-O 3.2Å; F84-K102 PolarHBondContact N-O 3.27Å; F84-K102 PolarHBondContact O-N 3.06Å; F100-K102 HydrophobicContact CE1-CB 3.59Å; F100-K102 HydrophobicContact CE2-CB 4.49Å; F100-K102 HydrophobicContact CZ-CB 3.54Å; F100-K102 HydrophobicContact CZ-CD 4.19Å; F100-K102 HydrophobicContact CZ-CG 4.47Å; K102-Y104 HydrophobicContact CB-CE2 3.9Å; K102-Y104 HydrophobicContact CD-CD1 4.48Å; K102-Y104 HydrophobicContact CD-CE1 3.65Å; K102-Y104 HydrophobicContact CG-CD1 4.25Å; K102-Y104 HydrophobicContact CG-CD2 4.47Å; K102-Y104 HydrophobicContact CG-CE1 3.75Å; K102-Y104 HydrophobicContact CG-CE2 3.92Å
103	Q	97	Very high	93	Very high	114 Å²	114	62 Å²	62	53%	0.533	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.2	172	-64.3	-178.2	20	0	0	109.9	L55 V81 L82 K83	L55-Q103 HydrophobicContact CD1-CG 4.17Å; V81-Q103 HydrophobicContact CG1-CB 3.99Å; V81-Q103 HydrophobicContact CG1-CG 4.42Å; L82-Q103 CarbonylContact O-C 3.55Å; L82-Q103 WeakPolarHBondContact O-CA 3.36Å; K83-Q103 HydrophobicContact CB-CG 4.21Å; K83-Q103 HydrophobicContact CG-CG 4.07Å
104	Y	95.7	Very high	93	Very high	8 Å²	8	62.7 Å²	62.7	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.5	-178.7	-58.3	-76.1	0	0	0	109.5	E22 R27 Y36 V81 L82 F84 K102	E22-Y104 HydrophobicContact CG-CE1 4.32Å; E22-Y104 WeakPolarHBondContact OE1-CE1 3.39Å; R27-Y104 VanDerWaalsContact NH1-CE1 3.29Å; Y36-Y104 HydrophobicContact CD2-CE2 4.38Å; Y36-Y104 AromaticContact CE2-CD2 3.47Å; Y36-Y104 HydrophobicContact CE2-CD2 3.47Å; Y36-Y104 VanDerWaalsContact CE2-CD2 3.47Å; Y36-Y104 AromaticContact CE2-CE2 3.58Å; Y36-Y104 HydrophobicContact CE2-CE2 3.58Å; Y36-Y104 HydrophobicContact CE2-CG 4.32Å; Y36-Y104 AromaticContact CZ-CD2 4Å; Y36-Y104 WeakPolarHBondContact OH-CB 3.44Å; V81-Y104 WeakPolarHBondContact CA-O 3.1Å; L82-Y104 PolarHBondContact N-O 3.03Å; L82-Y104 PolarHBondContact O-N 3.47Å; F84-Y104 HydrophobicContact CB-CD2 4.49Å; F84-Y104 HydrophobicContact CB-CE2 4.01Å; K102-Y104 HydrophobicContact CB-CE2 3.9Å; K102-Y104 HydrophobicContact CD-CD1 4.48Å; K102-Y104 HydrophobicContact CD-CE1 3.65Å; K102-Y104 HydrophobicContact CG-CD1 4.25Å; K102-Y104 HydrophobicContact CG-CD2 4.47Å; K102-Y104 HydrophobicContact CG-CE1 3.75Å; K102-Y104 HydrophobicContact CG-CE2 3.92Å
105	E	95.4	Very high	93	Very high	158 Å²	158	62.1 Å²	62.1	74%	0.738	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	133	168.6	-64	-172.2	-173.4	0	0	109.4	I80 V81	I80-E105 WeakPolarHBondContact O-CA 3.3Å; V81-E105 HydrophobicContact CG2-CG 4.26Å
106	K	94.3	Very high	93	Very high	20 Å²	20	55.1 Å²	55.1	9%	0.087	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.7	177.9	-165.4	68.1	174.7	-165.6	0	109.9	Y29 N79 I80 L108 D182 E184	Y29-K106 HydrophobicContact CD1-CG 4.26Å; Y29-K106 HydrophobicContact CD2-CD 4.31Å; Y29-K106 VanDerWaalsContact CD2-CE 3.41Å; Y29-K106 HydrophobicContact CE1-CB 4.4Å; Y29-K106 HydrophobicContact CE1-CD 4.38Å; Y29-K106 HydrophobicContact CE1-CG 3.79Å; Y29-K106 HydrophobicContact CE2-CD 3.77Å; Y29-K106 HydrophobicContact CE2-CG 4.1Å; N79-K106 CarbonylContact C-O 3.59Å; N79-K106 WeakPolarHBondContact CA-O 3.03Å; I80-K106 HydrophobicContact CG1-CB 4.27Å; I80-K106 WeakPolarHBondContact CG1-O 3.23Å; I80-K106 PolarHBondContact N-O 2.88Å; I80-K106 PolarHBondContact O-N 2.59Å; K106-L108 HydrophobicContact CG-CD2 4Å; K106-D182 WeakPolarHBondContact CE-OD2 3.46Å; K106-D182 IonicContact NZ-OD1 3.13Å; K106-D182 PolarHBondContact NZ-OD1 2.86Å; K106-D182 IonicContact NZ-OD2 2.59Å; K106-D182 PolarHBondContact NZ-OD2 2.84Å; K106-E184 IonicContact NZ-OE2 2.61Å; K106-E184 PolarHBondContact NZ-OE2 2.99Å
107	S	91.5	Very high	92.8	Very high	11 Å²	11	57.7 Å²	57.7	8%	0.077	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.8	158.9	178	0	0	0	0	107.3	K78 N79 E109	K78-S107 PolarHBondContact N-OG 2.8Å; K78-S107 WeakPolarHBondContact O-CA 3.35Å; N79-S107 WeakPolarHBondContact OD1-CB 3Å; S107-E109 WeakPolarHBondContact CB-OE1 3.43Å; S107-E109 PolarHBondContact O-N 3.01Å; S107-E109 VanDerWaalsContact O-N 3.08Å; S107-E109 VanDerWaalsContact OG-CD 3.27Å; S107-E109 PolarHBondContact OG-OE1 3.08Å
108	L	91.8	Very high	92.7	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.255	C	S	.	.			trans	-82.7	86.7	179	-53.6	-176.1	0	0	0	109	Y29 Y31 I74 M76 C77 I80 K106 A110	Y29-L108 HydrophobicContact CD1-CD2 3.3Å; Y29-L108 HydrophobicContact CE1-CD2 4Å; Y29-L108 HydrophobicContact CG-CD2 3.85Å; Y31-L108 WeakPolarHBondContact O-CD1 3.33Å; I74-L108 HydrophobicContact CB-CD1 3.79Å; I74-L108 HydrophobicContact CD1-CD1 4.42Å; I74-L108 HydrophobicContact CG2-CD1 3.71Å; M76-L108 HydrophobicContact CE-CB 4.31Å; C77-L108 PolarHBondContact N-O 2.89Å; I80-L108 HydrophobicContact CD1-CD1 4.31Å; I80-L108 HydrophobicContact CD1-CD2 4.37Å; I80-L108 HydrophobicContact CD1-CG 4.04Å; K106-L108 HydrophobicContact CG-CD2 4Å; L108-A110 PolarHBondContact O-N 2.88Å
109	E	88.7	Confident	92.6	Very high	47 Å²	47	53.3 Å²	53.3	22%	0.22	26%	0.261	C	S	.	.			trans	-80.9	5.4	-168.8	-66.1	-63.2	166.7	0	0	115	S107 P111 K140	S107-E109 WeakPolarHBondContact CB-OE1 3.43Å; S107-E109 PolarHBondContact O-N 3.01Å; S107-E109 VanDerWaalsContact O-N 3.08Å; S107-E109 VanDerWaalsContact OG-CD 3.27Å; S107-E109 PolarHBondContact OG-OE1 3.08Å; E109-P111 WeakPolarHBondContact O-CD 3.31Å; E109-K140 IonicContact OE1-NZ 2.88Å; E109-K140 PolarHBondContact OE1-NZ 2.53Å; E109-K140 WeakPolarHBondContact OE2-CD 3.09Å; E109-K140 WeakPolarHBondContact OE2-CE 3.36Å; E109-K140 IonicContact OE2-NZ 2.59Å; E109-K140 PolarHBondContact OE2-NZ 2.84Å
110	A	89.4	Confident	92.3	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.033	27%	0.265	C	S	.	.			trans	-113	60.8	-171.8	0	0	0	0	0	113.7	M76 L108 K112 P178 M181 T185	M76-A110 WeakPolarHBondContact CE-O 3.38Å; L108-A110 PolarHBondContact O-N 2.88Å; A110-K112 PolarHBondContact O-N 3.07Å; A110-P178 HydrophobicContact CB-CG 4.31Å; A110-M181 HydrophobicContact CB-CE 3.44Å; A110-M181 VanDerWaalsContact CB-CE 3.44Å; A110-M181 HydrophobicContact CB-SD 3.3Å; A110-M181 WeakPolarHBondContact CB-SD 3.33Å; A110-T185 HydrophobicContact CB-CG2 3.52Å
111	P	89	Confident	92	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.019	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-59.4	137.9	-177.2	26.5	-33.6	0	0	0	111.4	M76 E109 I113 L131 C137	M76-P111 HydrophobicContact CE-CB 4.23Å; E109-P111 WeakPolarHBondContact O-CD 3.31Å; P111-I113 PolarHBondContact O-N 2.81Å; P111-L131 HydrophobicContact CB-CD2 4.13Å; P111-L131 HydrophobicContact CG-CD2 4.07Å; P111-C137 HydrophobicContact CB-CB 4.08Å; P111-C137 HydrophobicContact CG-CB 4.2Å
112	K	89.4	Confident	91.4	Very high	97 Å²	97	62 Å²	62	42%	0.422	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-63.6	125.1	172.5	-172	176.9	179.5	179.4	0	109.3	Y31 A110 Q132	Y31-K112 HydrophobicContact CD1-CB 3.55Å; Y31-K112 HydrophobicContact CD1-CG 4.16Å; Y31-K112 HydrophobicContact CE1-CB 3.72Å; Y31-K112 HydrophobicContact CE1-CG 3.86Å; Y31-K112 HydrophobicContact CE2-CD 4.45Å; Y31-K112 HydrophobicContact CG-CB 4.08Å; A110-K112 PolarHBondContact O-N 3.07Å; K112-Q132 HydrophobicContact CB-CB 3.94Å; K112-Q132 VanDerWaalsContact CB-OE1 3.24Å; K112-Q132 PolarHBondContact O-N 3.25Å
113	I	90.9	Very high	90.8	Very high	14 Å²	14	64 Å²	64	7%	0.072	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.3	174.3	-54.5	161.9	0	0	0	107.4	P111 W129 K130 L131 L142 A176	P111-I113 PolarHBondContact O-N 2.81Å; I113-W129 HydrophobicContact CG2-CB 3.97Å; I113-W129 HydrophobicContact CG2-CG 4.12Å; I113-K130 WeakPolarHBondContact CA-O 3.01Å; I113-L131 HydrophobicContact CG1-CD2 4.06Å; I113-L142 HydrophobicContact CD1-CD1 3.95Å; I113-L142 HydrophobicContact CD1-CD2 4.04Å; I113-L142 HydrophobicContact CD1-CG 4.49Å; I113-L142 HydrophobicContact CG1-CD1 4.02Å; I113-L142 HydrophobicContact CG1-CD2 4.43Å; I113-A176 HydrophobicContact CD1-CB 3.77Å; I113-A176 HydrophobicContact CG2-CB 4.21Å
114	S	90.3	Very high	90.6	Very high	42 Å²	42	60.6 Å²	60.6	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	167.7	-177.1	66.9	0	0	0	0	112	L116 K130	S114-L116 PolarHBondContact O-N 2.81Å; S114-L116 VanDerWaalsContact O-N 3.15Å; S114-K130 PolarHBondContact N-O 2.99Å; S114-K130 PolarHBondContact O-N 2.88Å
115	E	90.8	Very high	90.4	Very high	99 Å²	99	60.4 Å²	60.4	46%	0.463	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.9	40.2	174.6	-60.8	-175.2	-140.7	0	0	114.3	K117 K130	E115-K117 PolarHBondContact O-N 2.79Å; E115-K130 HydrophobicContact CB-CD 4.41Å; E115-K130 HydrophobicContact CB-CG 4.32Å; E115-K130 VanDerWaalsContact CD-CE 3.48Å; E115-K130 HydrophobicContact CG-CD 4.35Å; E115-K130 WeakPolarHBondContact OE1-CD 3.3Å; E115-K130 WeakPolarHBondContact OE1-CE 3.47Å; E115-K130 IonicContact OE1-NZ 2.77Å; E115-K130 PolarHBondContact OE1-NZ 3.04Å; E115-K130 WeakPolarHBondContact OE2-CE 3.29Å; E115-K130 IonicContact OE2-NZ 2.85Å; E115-K130 PolarHBondContact OE2-NZ 3.21Å
116	L	92.3	Very high	90.4	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	120.6	177.8	-165.8	150.3	0	0	0	109.6	S114 I127 N128 F144 V174 A176 V193	S114-L116 PolarHBondContact O-N 2.81Å; S114-L116 VanDerWaalsContact O-N 3.15Å; L116-I127 HydrophobicContact CD1-CG2 4.25Å; L116-I127 HydrophobicContact CD2-CG2 3.6Å; L116-I127 HydrophobicContact CG-CG2 3.74Å; L116-N128 CarbonylContact C-O 3.58Å; L116-N128 WeakPolarHBondContact CA-O 3.4Å; L116-F144 HydrophobicContact CD1-CE1 3.9Å; L116-V174 HydrophobicContact CD1-CG1 3.92Å; L116-V174 HydrophobicContact CD2-CB 4.07Å; L116-V174 HydrophobicContact CD2-CG1 4.06Å; L116-V174 HydrophobicContact CD2-CG2 4.45Å; L116-A176 HydrophobicContact CD1-CB 4.24Å; L116-V193 HydrophobicContact CB-CG2 4.15Å; L116-V193 HydrophobicContact CD2-CB 3.93Å; L116-V193 HydrophobicContact CD2-CG1 4.11Å; L116-V193 HydrophobicContact CD2-CG2 4.21Å
117	K	92.3	Very high	90.5	Very high	130 Å²	130	52 Å²	52	57%	0.565	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.2	-177.7	-67.7	174.9	-171.4	173.6	0	109.4	E115 I127 N128	E115-K117 PolarHBondContact O-N 2.79Å; K117-I127 CarbonylContact O-C 3.54Å; K117-I127 WeakPolarHBondContact O-CA 3.32Å; K117-N128 PolarHBondContact N-O 2.63Å; K117-N128 PolarHBondContact O-N 2.9Å
118	A	92.4	Very high	90.7	Very high	36 Å²	36	53.6 Å²	53.6	30%	0.298	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.1	172.1	0	0	0	0	0	111.2	T125 I126 I127 I195	A118-T125 HydrophobicContact CB-CG2 4.28Å; A118-I126 CarbonylContact C-O 3.54Å; A118-I126 VanDerWaalsContact CA-O 3.28Å; A118-I126 WeakPolarHBondContact CA-O 3.44Å; A118-I127 HydrophobicContact CB-CG1 4.2Å; A118-I195 HydrophobicContact CB-CB 3.92Å; A118-I195 HydrophobicContact CB-CD1 4.23Å; A118-I195 HydrophobicContact CB-CG2 3.48Å; A118-I195 VanDerWaalsContact CB-CG2 3.48Å
119	R	92	Very high	90.8	Very high	115 Å²	115	53.8 Å²	53.8	43%	0.434	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.3	169.9	64.9	-174	176.6	96.1	-0.5	109.2	I126 N128 E160	R119-I126 HydrophobicContact CG-CB 3.87Å; R119-I126 HydrophobicContact CG-CG2 4.4Å; R119-I126 PolarHBondContact N-O 2.76Å; R119-I126 PolarHBondContact O-N 3.4Å; R119-N128 PolarHBondContact NE-OD1 2.05Å; R119-E160 IonicContact NH2-OE2 3.01Å; R119-E160 PolarHBondContact NH2-OE2 2.93Å
120	F	88.5	Confident	91	Very high	81 Å²	81	56.1 Å²	56.1	36%	0.355	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.8	-178.8	-60.4	-82.6	0	0	0	109.9	T125 K196 V197 P198	F120-T125 HydrophobicContact CD1-CG2 4.19Å; F120-T125 HydrophobicContact CE1-CG2 3.61Å; F120-T125 WeakPolarHBondContact CE1-OG1 3.38Å; F120-T125 HydrophobicContact CZ-CG2 4.13Å; F120-K196 WeakPolarHBondContact CE2-O 3.22Å; F120-K196 WeakPolarHBondContact CZ-O 3.11Å; F120-V197 HydrophobicContact CD1-CG1 4.34Å; F120-V197 HydrophobicContact CE1-CB 4.06Å; F120-V197 HydrophobicContact CE1-CG1 3.82Å; F120-V197 HydrophobicContact CE1-CG2 4.11Å; F120-V197 HydrophobicContact CZ-CB 4.39Å; F120-V197 HydrophobicContact CZ-CG2 4.44Å; F120-P198 HydrophobicContact CB-CG 3.86Å; F120-P198 HydrophobicContact CD1-CG 3.84Å; F120-P198 HydrophobicContact CD2-CG 3.59Å; F120-P198 HydrophobicContact CE1-CG 4.32Å; F120-P198 HydrophobicContact CE2-CG 4.13Å; F120-P198 HydrophobicContact CG-CG 3.43Å; F120-P198 VanDerWaalsContact CG-CG 3.43Å; F120-P198 HydrophobicContact CZ-CG 4.47Å
121	A	88	Confident	91.2	Very high	28 Å²	28	56.4 Å²	56.4	23%	0.231	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	104.2	178.8	0	0	0	0	0	109.3	T123 E124 I126	A121-T123 VanDerWaalsContact C-N 3.3Å; A121-T123 PolarHBondContact O-N 2.79Å; A121-E124 HydrophobicContact CB-CG 4.23Å; A121-E124 PolarHBondContact N-O 2.87Å; A121-E124 VanDerWaalsContact O-CG 3.3Å; A121-E124 WeakPolarHBondContact O-CG 3.26Å; A121-E124 PolarHBondContact O-N 2.83Å; A121-I126 HydrophobicContact CB-CD1 3.6Å; A121-I126 HydrophobicContact CB-CG1 4.29Å
122	K	83.4	Confident	91.2	Very high	208 Å²	208	58.9 Å²	58.9	90%	0.904	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-82	179.6	-58.6	178.9	179.7	179.5	0	113.5
123	T	84.6	Confident	91.3	Very high	110 Å²	110	56.8 Å²	56.8	68%	0.675	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-1.1	-173.4	54.3	0	0	0	0	113	A121	A121-T123 VanDerWaalsContact C-N 3.3Å; A121-T123 PolarHBondContact O-N 2.79Å
124	E	91.6	Very high	91.5	Very high	42 Å²	42	60.2 Å²	60.2	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.2	-176.4	58.1	179.7	-164.4	0	0	112.9	A121 I126 R162 P164	A121-E124 HydrophobicContact CB-CG 4.23Å; A121-E124 PolarHBondContact N-O 2.87Å; A121-E124 VanDerWaalsContact O-CG 3.3Å; A121-E124 WeakPolarHBondContact O-CG 3.26Å; A121-E124 PolarHBondContact O-N 2.83Å; E124-I126 HydrophobicContact CG-CD1 4.46Å; E124-I126 HydrophobicContact CG-CG1 4.13Å; E124-R162 IonicContact OE1-CZ 3.53Å; E124-R162 IonicContact OE1-NE 3.85Å; E124-R162 IonicContact OE1-NH1 2.73Å; E124-R162 PolarHBondContact OE1-NH1 3.48Å; E124-P164 HydrophobicContact CB-CB 4.32Å
125	T	93	Very high	91.7	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.025	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122	165.5	-53.6	0	0	0	0	107.8	A118 F120 I127 I163 L166 I195	A118-T125 HydrophobicContact CB-CG2 4.28Å; F120-T125 HydrophobicContact CD1-CG2 4.19Å; F120-T125 HydrophobicContact CE1-CG2 3.61Å; F120-T125 WeakPolarHBondContact CE1-OG1 3.38Å; F120-T125 HydrophobicContact CZ-CG2 4.13Å; T125-I127 HydrophobicContact CG2-CG1 4.2Å; T125-I163 PolarHBondContact N-O 2.82Å; T125-I163 PolarHBondContact O-N 2.92Å; T125-L166 HydrophobicContact CG2-CD1 3.94Å; T125-I195 HydrophobicContact CG2-CD1 3.98Å
126	I	95	Very high	91.9	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.1	175.8	-55.1	179.3	0	0	0	107.2	A118 R119 A121 E124 E160 I161 R162	A118-I126 CarbonylContact C-O 3.54Å; A118-I126 VanDerWaalsContact CA-O 3.28Å; A118-I126 WeakPolarHBondContact CA-O 3.44Å; R119-I126 HydrophobicContact CG-CB 3.87Å; R119-I126 HydrophobicContact CG-CG2 4.4Å; R119-I126 PolarHBondContact N-O 2.76Å; R119-I126 PolarHBondContact O-N 3.4Å; A121-I126 HydrophobicContact CB-CD1 3.6Å; A121-I126 HydrophobicContact CB-CG1 4.29Å; E124-I126 HydrophobicContact CG-CD1 4.46Å; E124-I126 HydrophobicContact CG-CG1 4.13Å; I126-E160 HydrophobicContact CG2-CG 3.58Å; I126-E160 WeakPolarHBondContact CG2-OE2 3.04Å; I126-I161 WeakPolarHBondContact CA-O 3.49Å; I126-R162 HydrophobicContact CG1-CG 4.23Å
127	I	94.8	Very high	92	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	175	-54.4	172.6	0	0	0	107.6	L116 K117 A118 T125 W129 F144 L146 E160 I161 I163 V174 I195	L116-I127 HydrophobicContact CD1-CG2 4.25Å; L116-I127 HydrophobicContact CD2-CG2 3.6Å; L116-I127 HydrophobicContact CG-CG2 3.74Å; K117-I127 CarbonylContact O-C 3.54Å; K117-I127 WeakPolarHBondContact O-CA 3.32Å; A118-I127 HydrophobicContact CB-CG1 4.2Å; T125-I127 HydrophobicContact CG2-CG1 4.2Å; I127-W129 WeakPolarHBondContact O-CZ3 3.49Å; I127-F144 HydrophobicContact CG2-CE1 4.48Å; I127-L146 HydrophobicContact CD1-CD2 3.84Å; I127-E160 WeakPolarHBondContact O-CA 3.38Å; I127-I161 HydrophobicContact CB-CG2 3.65Å; I127-I161 HydrophobicContact CD1-CG2 4.46Å; I127-I161 HydrophobicContact CG1-CG2 4.37Å; I127-I161 HydrophobicContact CG2-CG2 4.48Å; I127-I161 PolarHBondContact N-O 3.36Å; I127-I161 PolarHBondContact O-N 3.08Å; I127-I163 HydrophobicContact CD1-CD1 3.74Å; I127-V174 HydrophobicContact CD1-CG1 4.25Å; I127-V174 HydrophobicContact CD1-CG2 4.07Å; I127-I195 HydrophobicContact CD1-CD1 3.86Å; I127-I195 HydrophobicContact CG1-CD1 4.33Å
128	N	95.7	Very high	92.1	Very high	45 Å²	45	58.8 Å²	58.8	24%	0.241	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.4	175.6	-62.9	109	0	0	0	109.3	L116 K117 R119 Q159 E160	L116-N128 CarbonylContact C-O 3.58Å; L116-N128 WeakPolarHBondContact CA-O 3.4Å; K117-N128 PolarHBondContact N-O 2.63Å; K117-N128 PolarHBondContact O-N 2.9Å; R119-N128 PolarHBondContact NE-OD1 2.05Å; N128-Q159 VanDerWaalsContact CA-O 3.27Å; N128-Q159 WeakPolarHBondContact CA-O 3.38Å; N128-Q159 PolarHBondContact ND2-O 3.28Å; N128-E160 WeakPolarHBondContact ND2-CB 3.35Å; N128-E160 WeakPolarHBondContact ND2-CG 3.44Å; N128-E160 PolarHBondContact ND2-OE2 2.92Å; N128-E160 VanDerWaalsContact ND2-OE2 3.09Å
129	W	94.9	Very high	92.1	Very high	6 Å²	6	62.5 Å²	62.5	2%	0.023	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.7	176.2	61.7	94.7	0	0	0	109.8	I113 I127 L142 F144 A156 G158 Q159 E160 I161	I113-W129 HydrophobicContact CG2-CB 3.97Å; I113-W129 HydrophobicContact CG2-CG 4.12Å; I127-W129 WeakPolarHBondContact O-CZ3 3.49Å; W129-L142 HydrophobicContact CZ2-CD1 4.14Å; W129-L142 VanDerWaalsContact NE1-CD1 3.34Å; W129-F144 HydrophobicContact CD2-CE1 4.37Å; W129-F144 AromaticContact CD2-CZ 3.62Å; W129-F144 HydrophobicContact CD2-CZ 3.62Å; W129-F144 AromaticContact CE2-CZ 3.81Å; W129-F144 AromaticContact CE3-CE1 3.93Å; W129-F144 HydrophobicContact CE3-CE1 3.93Å; W129-F144 HydrophobicContact CE3-CE2 4.35Å; W129-F144 AromaticContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CE3-CZ 3.42Å; W129-F144 VanDerWaalsContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CG-CZ 4.4Å; W129-F144 AromaticContact CH2-CE2 3.8Å; W129-F144 HydrophobicContact CH2-CE2 3.8Å; W129-F144 AromaticContact CH2-CZ 3.69Å; W129-F144 HydrophobicContact CH2-CZ 3.69Å; W129-F144 AromaticContact CZ2-CE2 3.98Å; W129-F144 HydrophobicContact CZ2-CE2 3.98Å; W129-F144 AromaticContact CZ2-CZ 3.87Å; W129-F144 HydrophobicContact CZ2-CZ 3.87Å; W129-F144 HydrophobicContact CZ3-CE1 4.11Å; W129-F144 AromaticContact CZ3-CE2 3.98Å; W129-F144 HydrophobicContact CZ3-CE2 3.98Å; W129-F144 AromaticContact CZ3-CZ 3.45Å; W129-F144 HydrophobicContact CZ3-CZ 3.45Å; W129-F144 VanDerWaalsContact CZ3-CZ 3.45Å; W129-A156 HydrophobicContact CH2-CB 3.66Å; W129-A156 HydrophobicContact CZ2-CB 4.2Å; W129-G158 VanDerWaalsContact CZ2-O 3.22Å; W129-G158 WeakPolarHBondContact CZ2-O 3.28Å; W129-G158 PolarHBondContact NE1-O 2.88Å; W129-Q159 PolarHBondContact N-O 3.16Å; W129-Q159 VanDerWaalsContact O-CB 3.25Å; W129-Q159 WeakPolarHBondContact O-CB 3.13Å; W129-Q159 WeakPolarHBondContact O-CG 3.35Å; W129-E160 VanDerWaalsContact CH2-N 3.35Å; W129-E160 WeakPolarHBondContact CH2-O 3.25Å; W129-I161 HydrophobicContact CH2-CB 3.97Å; W129-I161 HydrophobicContact CH2-CG2 4.36Å; W129-I161 HydrophobicContact CZ3-CB 3.79Å; W129-I161 HydrophobicContact CZ3-CG2 3.71Å
130	K	93.7	Very high	92.1	Very high	96 Å²	96	59.8 Å²	59.8	42%	0.417	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.4	167.4	-70	-170.7	-174.1	165.7	0	110.3	I113 S114 E115	I113-K130 WeakPolarHBondContact CA-O 3.01Å; S114-K130 PolarHBondContact N-O 2.99Å; S114-K130 PolarHBondContact O-N 2.88Å; E115-K130 HydrophobicContact CB-CD 4.41Å; E115-K130 HydrophobicContact CB-CG 4.32Å; E115-K130 VanDerWaalsContact CD-CE 3.48Å; E115-K130 HydrophobicContact CG-CD 4.35Å; E115-K130 WeakPolarHBondContact OE1-CD 3.3Å; E115-K130 WeakPolarHBondContact OE1-CE 3.47Å; E115-K130 IonicContact OE1-NZ 2.77Å; E115-K130 PolarHBondContact OE1-NZ 3.04Å; E115-K130 WeakPolarHBondContact OE2-CE 3.29Å; E115-K130 IonicContact OE2-NZ 2.85Å; E115-K130 PolarHBondContact OE2-NZ 3.21Å
131	L	92.2	Very high	92.3	Very high	11 Å²	11	60 Å²	60	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.2	170	-69.1	175.7	0	0	0	108.4	P111 I113 Y134 C137 L142 G158	P111-L131 HydrophobicContact CB-CD2 4.13Å; P111-L131 HydrophobicContact CG-CD2 4.07Å; I113-L131 HydrophobicContact CG1-CD2 4.06Å; L131-Y134 HydrophobicContact CB-CD2 4.5Å; L131-Y134 HydrophobicContact CD1-CD2 4.48Å; L131-C137 HydrophobicContact CD1-CB 4.34Å; L131-L142 HydrophobicContact CD2-CD1 3.76Å; L131-G158 WeakPolarHBondContact CD1-O 3.2Å
132	Q	90.1	Very high	92.5	Very high	55 Å²	55	58.8 Å²	58.8	26%	0.257	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	134.8	162.2	-175.5	171.6	4	0	0	108.9	D32 M76 K112 Y134	D32-Q132 PolarHBondContact OD1-NE2 2.7Å; D32-Q132 PolarHBondContact OD2-NE2 3.15Å; M76-Q132 HydrophobicContact SD-CB 4.14Å; M76-Q132 HydrophobicContact SD-CG 3.85Å; K112-Q132 HydrophobicContact CB-CB 3.94Å; K112-Q132 VanDerWaalsContact CB-OE1 3.24Å; K112-Q132 PolarHBondContact O-N 3.25Å; Q132-Y134 PolarHBondContact O-N 2.95Å
133	D	92.1	Very high	93.1	Very high	52 Å²	52	50.3 Å²	50.3	28%	0.278	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	52.1	-175.9	-162.1	0.7	0	0	0	113.5	M76 E135 N136 C137	M76-D133 HydrophobicContact CB-CB 4.03Å; M76-D133 HydrophobicContact CG-CB 4.25Å; M76-D133 PolarHBondContact N-OD2 2.87Å; D133-E135 PolarHBondContact O-N 2.9Å; D133-E135 VanDerWaalsContact O-N 3.15Å; D133-N136 PolarHBondContact O-N 2.78Å; D133-N136 VanDerWaalsContact O-N 3.14Å; D133-N136 PolarHBondContact OD1-ND2 2.8Å; D133-N136 PolarHBondContact OD2-ND2 2.61Å; D133-C137 WeakPolarHBondContact O-CB 3.39Å; D133-C137 PolarHBondContact O-N 2.97Å
134	Y	94.4	Very high	93.5	Very high	86 Å²	86	45 Å²	45	34%	0.337	21%	0.213	S	C	.	.	H	α-helix	trans	-50.2	-41.7	-175.6	172.6	-106	0	0	0	113.7	L131 Q132 N136 C137 K138 Q159	L131-Y134 HydrophobicContact CB-CD2 4.5Å; L131-Y134 HydrophobicContact CD1-CD2 4.48Å; Q132-Y134 PolarHBondContact O-N 2.95Å; Y134-N136 VanDerWaalsContact C-N 3.27Å; Y134-N136 PolarHBondContact O-N 3.33Å; Y134-C137 PolarHBondContact O-N 2.9Å; Y134-C137 VanDerWaalsContact O-N 3.13Å; Y134-K138 HydrophobicContact CD2-CB 4.04Å; Y134-K138 HydrophobicContact CE1-CB 4.4Å; Y134-K138 HydrophobicContact CE2-CB 3.59Å; Y134-K138 WeakPolarHBondContact O-CB 3.48Å; Y134-K138 PolarHBondContact O-N 2.9Å; Y134-Q159 HydrophobicContact CD2-CG 3.73Å; Y134-Q159 HydrophobicContact CE2-CB 4.44Å; Y134-Q159 HydrophobicContact CE2-CG 3.64Å
135	E	94.9	Very high	93.7	Very high	124 Å²	124	45.8 Å²	45.8	58%	0.579	22%	0.216	S	C	*	.	H	α-helix	trans	-61	-37.6	-176.1	-70.6	-52.9	139.6	0	0	112.8	D133 K138	D133-E135 PolarHBondContact O-N 2.9Å; D133-E135 VanDerWaalsContact O-N 3.15Å; E135-K138 IonicContact OE2-NZ 3.51Å
136	N	94.4	Very high	93.8	Very high	60 Å²	60	45.6 Å²	45.6	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-84.2	-29.1	175.6	-63	-42.5	0	0	0	112.2	M76 C77 D133 Y134	M76-N136 WeakPolarHBondContact O-CB 3.31Å; C77-N136 HydrophobicContact CB-CB 4.44Å; C77-N136 WeakPolarHBondContact CB-O 3.12Å; D133-N136 PolarHBondContact O-N 2.78Å; D133-N136 VanDerWaalsContact O-N 3.14Å; D133-N136 PolarHBondContact OD1-ND2 2.8Å; D133-N136 PolarHBondContact OD2-ND2 2.61Å; Y134-N136 VanDerWaalsContact C-N 3.27Å; Y134-N136 PolarHBondContact O-N 3.33Å
137	C	93.8	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-99.1	-5.2	-171.2	-66.9	0	0	0	0	116	M76 C77 P111 L131 D133 Y134 D139 K140	M76-C137 VanDerWaalsContact CB-SG 3.59Å; C77-C137 HydrophobicContact CB-CB 3.85Å; C77-C137 WeakPolarHBondContact CB-SG 3.1Å; C77-C137 WeakPolarHBondContact SG-CA 3.02Å; C77-C137 WeakPolarHBondContact SG-CB 3.48Å; C77-C137 CovalentContact SG-SG 2.03Å; C77-C137 PolarHBondContact SG-SG 2.81Å; P111-C137 HydrophobicContact CB-CB 4.08Å; P111-C137 HydrophobicContact CG-CB 4.2Å; L131-C137 HydrophobicContact CD1-CB 4.34Å; D133-C137 WeakPolarHBondContact O-CB 3.39Å; D133-C137 PolarHBondContact O-N 2.97Å; Y134-C137 PolarHBondContact O-N 2.9Å; Y134-C137 VanDerWaalsContact O-N 3.13Å; C137-D139 PolarHBondContact O-N 2.59Å; C137-D139 VanDerWaalsContact O-N 3.08Å; C137-K140 WeakPolarHBondContact O-CB 3.06Å; C137-K140 PolarHBondContact O-N 3.13Å
138	K	94.6	Very high	93.9	Very high	74 Å²	74	51.7 Å²	51.7	32%	0.322	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.7	-174.2	63.8	-170.3	174.1	-164.2	0	114.9	Y134 E135 G158	Y134-K138 HydrophobicContact CD2-CB 4.04Å; Y134-K138 HydrophobicContact CE1-CB 4.4Å; Y134-K138 HydrophobicContact CE2-CB 3.59Å; Y134-K138 WeakPolarHBondContact O-CB 3.48Å; Y134-K138 PolarHBondContact O-N 2.9Å; E135-K138 IonicContact OE2-NZ 3.51Å; K138-G158 WeakPolarHBondContact O-CA 3.38Å; K138-G158 PolarHBondContact O-N 2.75Å
139	D	92.8	Very high	93.9	Very high	114 Å²	114	53.4 Å²	53.4	61%	0.61	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.3	-178.4	-62.7	-47	0	0	0	113.5	C137 K157	C137-D139 PolarHBondContact O-N 2.59Å; C137-D139 VanDerWaalsContact O-N 3.08Å; D139-K157 WeakPolarHBondContact O-CD 3.3Å; D139-K157 WeakPolarHBondContact O-CE 3.21Å
140	K	91.5	Very high	93.8	Very high	59 Å²	59	57 Å²	57	26%	0.257	28%	0.277	S	S	.	.			trans	-72.6	135.3	178.9	-64	-63.1	164.3	179.1	0	111.7	C77 E109 C137	C77-K140 HydrophobicContact CB-CD 4.44Å; C77-K140 HydrophobicContact CB-CG 4.03Å; E109-K140 IonicContact OE1-NZ 2.88Å; E109-K140 PolarHBondContact OE1-NZ 2.53Å; E109-K140 WeakPolarHBondContact OE2-CD 3.09Å; E109-K140 WeakPolarHBondContact OE2-CE 3.36Å; E109-K140 IonicContact OE2-NZ 2.59Å; E109-K140 PolarHBondContact OE2-NZ 2.84Å; C137-K140 WeakPolarHBondContact O-CB 3.06Å; C137-K140 PolarHBondContact O-N 3.13Å
141	E	93	Very high	93.9	Very high	86 Å²	86	56.8 Å²	56.8	40%	0.402	28%	0.284	S	S	.	.			trans	-80.4	123.2	174.9	-69.2	-173	160.4	0	0	110.3	M155 A156 K157 N179	E141-M155 HydrophobicContact CB-CE 3.97Å; E141-A156 WeakPolarHBondContact CA-O 3.47Å; E141-K157 HydrophobicContact CG-CD 4.13Å; E141-K157 HydrophobicContact CG-CG 3.83Å; E141-K157 WeakPolarHBondContact OE1-CE 3.41Å; E141-K157 IonicContact OE1-NZ 3.37Å; E141-K157 PolarHBondContact OE1-NZ 2.85Å; E141-N179 HydrophobicContact CB-CB 4.14Å; E141-N179 WeakPolarHBondContact O-CB 3.19Å; E141-N179 PolarHBondContact O-N 3.27Å
142	L	93.3	Very high	94	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.8	169.7	-54.8	-178.3	0	0	0	108.6	I113 W129 L131 F144 M155 A156 F177	I113-L142 HydrophobicContact CD1-CD1 3.95Å; I113-L142 HydrophobicContact CD1-CD2 4.04Å; I113-L142 HydrophobicContact CD1-CG 4.49Å; I113-L142 HydrophobicContact CG1-CD1 4.02Å; I113-L142 HydrophobicContact CG1-CD2 4.43Å; W129-L142 HydrophobicContact CZ2-CD1 4.14Å; W129-L142 VanDerWaalsContact NE1-CD1 3.34Å; L131-L142 HydrophobicContact CD2-CD1 3.76Å; L142-F144 HydrophobicContact CB-CD2 4.32Å; L142-F144 HydrophobicContact CB-CE2 3.74Å; L142-F144 HydrophobicContact CD1-CE2 4.26Å; L142-F144 HydrophobicContact CD1-CZ 4.36Å; L142-M155 CarbonylContact O-C 3.5Å; L142-M155 WeakPolarHBondContact O-CA 3.34Å; L142-A156 PolarHBondContact N-O 2.8Å; L142-A156 PolarHBondContact O-N 2.88Å; L142-F177 CarbonylContact C-O 3.52Å; L142-F177 WeakPolarHBondContact CA-O 3.25Å
143	Q	94	Very high	94.2	Very high	30 Å²	30	59.2 Å²	59.2	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	172.2	-172.5	170.2	18.1	0	0	108.6	F145 M153 M155 A176 F177	Q143-F145 HydrophobicContact CG-CZ 4.46Å; Q143-M153 HydrophobicContact CG-CG 4.11Å; Q143-M153 PolarHBondContact NE2-SD 2.83Å; Q143-M155 HydrophobicContact CB-CE 4Å; Q143-M155 HydrophobicContact CB-SD 3.61Å; Q143-M155 HydrophobicContact CG-SD 3.6Å; Q143-M155 VanDerWaalsContact CG-SD 3.6Å; Q143-A176 WeakPolarHBondContact O-CA 3.23Å; Q143-F177 HydrophobicContact CB-CD1 4.41Å; Q143-F177 HydrophobicContact CB-CD2 4.23Å; Q143-F177 HydrophobicContact CB-CE1 3.77Å; Q143-F177 HydrophobicContact CB-CE2 3.65Å; Q143-F177 HydrophobicContact CB-CZ 3.39Å; Q143-F177 HydrophobicContact CG-CE1 3.82Å; Q143-F177 HydrophobicContact CG-CE2 3.97Å; Q143-F177 HydrophobicContact CG-CZ 3.31Å; Q143-F177 PolarHBondContact N-O 3.11Å; Q143-F177 WeakPolarHBondContact O-CD1 3.43Å; Q143-F177 WeakPolarHBondContact O-CE1 3.3Å; Q143-F177 PolarHBondContact O-N 3Å
144	F	95	Very high	94.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.9	176.6	-72.9	-102.8	0	0	0	109.4	L116 I127 W129 L142 L146 M153 Q154 A156 I161 V174 Y175 A176	L116-F144 HydrophobicContact CD1-CE1 3.9Å; I127-F144 HydrophobicContact CG2-CE1 4.48Å; W129-F144 HydrophobicContact CD2-CE1 4.37Å; W129-F144 AromaticContact CD2-CZ 3.62Å; W129-F144 HydrophobicContact CD2-CZ 3.62Å; W129-F144 AromaticContact CE2-CZ 3.81Å; W129-F144 AromaticContact CE3-CE1 3.93Å; W129-F144 HydrophobicContact CE3-CE1 3.93Å; W129-F144 HydrophobicContact CE3-CE2 4.35Å; W129-F144 AromaticContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CE3-CZ 3.42Å; W129-F144 VanDerWaalsContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CG-CZ 4.4Å; W129-F144 AromaticContact CH2-CE2 3.8Å; W129-F144 HydrophobicContact CH2-CE2 3.8Å; W129-F144 AromaticContact CH2-CZ 3.69Å; W129-F144 HydrophobicContact CH2-CZ 3.69Å; W129-F144 AromaticContact CZ2-CE2 3.98Å; W129-F144 HydrophobicContact CZ2-CE2 3.98Å; W129-F144 AromaticContact CZ2-CZ 3.87Å; W129-F144 HydrophobicContact CZ2-CZ 3.87Å; W129-F144 HydrophobicContact CZ3-CE1 4.11Å; W129-F144 AromaticContact CZ3-CE2 3.98Å; W129-F144 HydrophobicContact CZ3-CE2 3.98Å; W129-F144 AromaticContact CZ3-CZ 3.45Å; W129-F144 HydrophobicContact CZ3-CZ 3.45Å; W129-F144 VanDerWaalsContact CZ3-CZ 3.45Å; L142-F144 HydrophobicContact CB-CD2 4.32Å; L142-F144 HydrophobicContact CB-CE2 3.74Å; L142-F144 HydrophobicContact CD1-CE2 4.26Å; L142-F144 HydrophobicContact CD1-CZ 4.36Å; F144-L146 HydrophobicContact CB-CD1 4.05Å; F144-M153 CarbonylContact O-C 3.52Å; F144-M153 VanDerWaalsContact O-CA 3.29Å; F144-M153 WeakPolarHBondContact O-CA 3.07Å; F144-Q154 WeakPolarHBondContact CB-O 3.43Å; F144-Q154 PolarHBondContact N-O 2.91Å; F144-Q154 PolarHBondContact O-N 2.87Å; F144-A156 HydrophobicContact CD2-CB 4.22Å; F144-A156 HydrophobicContact CE2-CB 3.96Å; F144-I161 HydrophobicContact CB-CD1 4.43Å; F144-I161 HydrophobicContact CD2-CD1 4.01Å; F144-I161 HydrophobicContact CG-CD1 4.25Å; F144-V174 HydrophobicContact CD1-CG1 3.95Å; F144-Y175 CarbonylContact C-O 3.58Å; F144-Y175 VanDerWaalsContact CA-O 3.27Å; F144-Y175 WeakPolarHBondContact CA-O 3.16Å; F144-A176 HydrophobicContact CD1-CB 3.7Å; F144-A176 HydrophobicContact CE1-CB 3.49Å; F144-A176 VanDerWaalsContact CE1-CB 3.49Å; F144-A176 HydrophobicContact CE2-CB 4.41Å; F144-A176 HydrophobicContact CG-CB 4.24Å; F144-A176 HydrophobicContact CZ-CB 3.86Å
145	F	94.8	Very high	94.3	Very high	58 Å²	58	58.9 Å²	58.9	25%	0.254	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.6	164.8	-71.2	-60.5	0	0	0	109.9	Q143 F147 V152 M153 V174 Y175 F177	Q143-F145 HydrophobicContact CG-CZ 4.46Å; F145-F147 HydrophobicContact CB-CD2 4.33Å; F145-F147 HydrophobicContact CB-CE2 3.64Å; F145-F147 HydrophobicContact CB-CZ 3.91Å; F145-F147 HydrophobicContact CG-CE2 4.36Å; F145-F147 HydrophobicContact CG-CZ 4.2Å; F145-V152 CarbonylContact C-O 3.57Å; F145-V152 WeakPolarHBondContact CA-O 3.47Å; F145-M153 HydrophobicContact CD1-CB 3.95Å; F145-M153 HydrophobicContact CD1-CG 3.99Å; F145-M153 HydrophobicContact CE1-CB 3.8Å; F145-M153 HydrophobicContact CE1-CG 3.51Å; F145-M153 HydrophobicContact CE1-SD 3.84Å; F145-M153 HydrophobicContact CZ-CG 4.27Å; F145-M153 HydrophobicContact CZ-SD 4.31Å; F145-V174 WeakPolarHBondContact O-CA 3.35Å; F145-Y175 PolarHBondContact N-O 3.04Å; F145-Y175 PolarHBondContact O-N 2.65Å; F145-F177 HydrophobicContact CD2-CD1 4.23Å; F145-F177 AromaticContact CD2-CE1 3.17Å; F145-F177 HydrophobicContact CD2-CE1 3.17Å; F145-F177 AromaticContact CD2-CZ 3.63Å; F145-F177 HydrophobicContact CD2-CZ 3.63Å; F145-F177 HydrophobicContact CE2-CD1 4.44Å; F145-F177 AromaticContact CE2-CE1 3.2Å; F145-F177 HydrophobicContact CE2-CE1 3.2Å; F145-F177 HydrophobicContact CE2-CE2 4.3Å; F145-F177 AromaticContact CE2-CZ 3.08Å; F145-F177 HydrophobicContact CE2-CZ 3.08Å; F145-F177 HydrophobicContact CG-CE1 4.2Å; F145-F177 HydrophobicContact CZ-CE1 4.24Å; F145-F177 AromaticContact CZ-CZ 3.84Å; F145-F177 HydrophobicContact CZ-CZ 3.84Å
146	L	95.6	Very high	94.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	113.4	173.7	-62	79.7	0	0	0	108.1	I127 F144 T151 V152 I163 L166 Y172 T173 V174 I195	I127-L146 HydrophobicContact CD1-CD2 3.84Å; F144-L146 HydrophobicContact CB-CD1 4.05Å; L146-T151 WeakPolarHBondContact O-CA 3.38Å; L146-V152 HydrophobicContact CB-CB 4.18Å; L146-V152 HydrophobicContact CD1-CB 4.39Å; L146-V152 HydrophobicContact CD1-CG1 4.36Å; L146-V152 PolarHBondContact N-O 2.88Å; L146-V152 PolarHBondContact O-N 3.49Å; L146-I163 HydrophobicContact CD1-CD1 3.73Å; L146-I163 HydrophobicContact CD2-CD1 3.46Å; L146-I163 VanDerWaalsContact CD2-CD1 3.46Å; L146-I163 HydrophobicContact CG-CD1 4.28Å; L146-L166 HydrophobicContact CD2-CD1 3.8Å; L146-L166 HydrophobicContact CD2-CD2 4.08Å; L146-Y172 HydrophobicContact CB-CD1 4.05Å; L146-T173 WeakPolarHBondContact CA-O 3.49Å; L146-V174 HydrophobicContact CD2-CG2 4.25Å; L146-V174 HydrophobicContact CG-CG1 4.31Å; L146-V174 HydrophobicContact CG-CG2 4.1Å; L146-I195 HydrophobicContact CD2-CD1 4.15Å
147	F	95.7	Very high	94.3	Very high	90 Å²	90	55.9 Å²	55.9	40%	0.395	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.1	179.4	-63.5	-75.8	0	0	0	110.2	F145 T151 Y172 T173 Y175	F145-F147 HydrophobicContact CB-CD2 4.33Å; F145-F147 HydrophobicContact CB-CE2 3.64Å; F145-F147 HydrophobicContact CB-CZ 3.91Å; F145-F147 HydrophobicContact CG-CE2 4.36Å; F145-F147 HydrophobicContact CG-CZ 4.2Å; F147-T151 HydrophobicContact CD1-CG2 3.9Å; F147-T151 HydrophobicContact CE1-CG2 3.7Å; F147-Y172 CarbonylContact O-C 3.6Å; F147-Y172 VanDerWaalsContact O-CA 3.22Å; F147-Y172 WeakPolarHBondContact O-CA 3.3Å; F147-T173 PolarHBondContact N-O 2.79Å; F147-T173 PolarHBondContact O-N 2.72Å; F147-Y175 AromaticContact CD2-CD2 3.63Å; F147-Y175 HydrophobicContact CD2-CD2 3.63Å; F147-Y175 AromaticContact CD2-CE2 3.78Å; F147-Y175 HydrophobicContact CD2-CE2 3.78Å; F147-Y175 AromaticContact CE2-CD2 3.71Å; F147-Y175 HydrophobicContact CE2-CD2 3.71Å; F147-Y175 HydrophobicContact CE2-CE2 4.1Å
148	G	95.2	Very high	94.3	Very high	39 Å²	39	56.5 Å²	56.5	40%	0.402	29%	0.288	S	S	.	.	S	Bend	trans	-147.9	-132.1	175.4	0	0	0	0	0	110.9	K150 T171	G148-K150 PolarHBondContact N-O 3.3Å; G148-K150 VanDerWaalsContact N-O 3.1Å; G148-K150 PolarHBondContact O-N 3.02Å; G148-T171 WeakPolarHBondContact CA-O 3.32Å
149	D	95.3	Very high	94.3	Very high	81 Å²	81	56 Å²	56	43%	0.433	29%	0.287	S	S	.	.	S	Bend	trans	-63.7	-26.2	168.7	67.6	-37.8	0	0	0	112.6	T167 K170 Y172	D149-T167 WeakPolarHBondContact OD2-CB 3.3Å; D149-T167 WeakPolarHBondContact OD2-CG2 3.21Å; D149-T167 PolarHBondContact OD2-OG1 2.81Å; D149-K170 HydrophobicContact CB-CD 4.22Å; D149-K170 HydrophobicContact CB-CG 4.13Å; D149-Y172 WeakPolarHBondContact OD1-CE1 3.41Å; D149-Y172 PolarHBondContact OD1-OH 3.27Å
150	K	94.2	Very high	94.4	Very high	81 Å²	81	53.8 Å²	53.8	35%	0.352	27%	0.273	S	S	.	.	S	Bend	trans	-133	158.9	168.4	61.3	-175.5	172.6	-170.4	0	110.4	G148 V152 F165 Y172	G148-K150 PolarHBondContact N-O 3.3Å; G148-K150 VanDerWaalsContact N-O 3.1Å; G148-K150 PolarHBondContact O-N 3.02Å; K150-V152 HydrophobicContact CG-CG2 4.29Å; K150-F165 WeakPolarHBondContact CE-O 3.5Å; K150-F165 PolarHBondContact NZ-O 2.81Å; K150-Y172 HydrophobicContact CG-CE1 4.07Å; K150-Y172 WeakPolarHBondContact O-CE1 3.34Å
151	T	94.4	Very high	94.6	Very high	91 Å²	91	51.4 Å²	51.4	56%	0.558	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.4	170.2	-58.7	0	0	0	0	109	L146 F147	L146-T151 WeakPolarHBondContact O-CA 3.38Å; F147-T151 HydrophobicContact CD1-CG2 3.9Å; F147-T151 HydrophobicContact CE1-CG2 3.7Å
152	V	94.3	Very high	94.6	Very high	9 Å²	9	53.4 Å²	53.4	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.4	171.7	175.4	0	0	0	0	108.5	F145 L146 K150 I163 F165 L166	F145-V152 CarbonylContact C-O 3.57Å; F145-V152 WeakPolarHBondContact CA-O 3.47Å; L146-V152 HydrophobicContact CB-CB 4.18Å; L146-V152 HydrophobicContact CD1-CB 4.39Å; L146-V152 HydrophobicContact CD1-CG1 4.36Å; L146-V152 PolarHBondContact N-O 2.88Å; L146-V152 PolarHBondContact O-N 3.49Å; K150-V152 HydrophobicContact CG-CG2 4.29Å; V152-I163 HydrophobicContact CG1-CG2 4.5Å; V152-F165 HydrophobicContact CB-CE2 4.32Å; V152-F165 HydrophobicContact CG1-CE2 3.56Å; V152-F165 HydrophobicContact CG1-CZ 4.05Å; V152-F165 HydrophobicContact CG2-CD2 4.23Å; V152-F165 HydrophobicContact CG2-CE2 3.77Å; V152-L166 HydrophobicContact CG2-CD2 3.98Å
153	M	94.9	Very high	94.6	Very high	109 Å²	109	53.4 Å²	53.4	54%	0.537	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.6	170	-177.2	-171.9	80.5	0	0	108.3	Q143 F144 F145	Q143-M153 HydrophobicContact CG-CG 4.11Å; Q143-M153 PolarHBondContact NE2-SD 2.83Å; F144-M153 CarbonylContact O-C 3.52Å; F144-M153 VanDerWaalsContact O-CA 3.29Å; F144-M153 WeakPolarHBondContact O-CA 3.07Å; F145-M153 HydrophobicContact CD1-CB 3.95Å; F145-M153 HydrophobicContact CD1-CG 3.99Å; F145-M153 HydrophobicContact CE1-CB 3.8Å; F145-M153 HydrophobicContact CE1-CG 3.51Å; F145-M153 HydrophobicContact CE1-SD 3.84Å; F145-M153 HydrophobicContact CZ-CG 4.27Å; F145-M153 HydrophobicContact CZ-SD 4.31Å
154	Q	94	Very high	94.5	Very high	72 Å²	72	55.5 Å²	55.5	34%	0.336	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.9	-179.7	-171.1	69.5	52.8	0	0	110.8	F144 I161	F144-Q154 WeakPolarHBondContact CB-O 3.43Å; F144-Q154 PolarHBondContact N-O 2.91Å; F144-Q154 PolarHBondContact O-N 2.87Å; Q154-I161 HydrophobicContact CB-CD1 3.66Å; Q154-I161 HydrophobicContact CG-CD1 3.23Å; Q154-I161 HydrophobicContact CG-CG1 3.96Å
155	M	94.8	Very high	94.2	Very high	59 Å²	59	60 Å²	60	29%	0.291	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	141.6	172.3	-57.6	-53.4	-66.1	0	0	110.2	E141 L142 Q143 N179	E141-M155 HydrophobicContact CB-CE 3.97Å; L142-M155 CarbonylContact O-C 3.5Å; L142-M155 WeakPolarHBondContact O-CA 3.34Å; Q143-M155 HydrophobicContact CB-CE 4Å; Q143-M155 HydrophobicContact CB-SD 3.61Å; Q143-M155 HydrophobicContact CG-SD 3.6Å; Q143-M155 VanDerWaalsContact CG-SD 3.6Å; M155-N179 HydrophobicContact CE-CB 3.61Å; M155-N179 WeakPolarHBondContact CE-ND2 3.01Å
156	A	94.8	Very high	94	Very high	12 Å²	12	58 Å²	58	10%	0.099	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.5	172.2	0	0	0	0	0	112.9	W129 E141 L142 F144 I161	W129-A156 HydrophobicContact CH2-CB 3.66Å; W129-A156 HydrophobicContact CZ2-CB 4.2Å; E141-A156 WeakPolarHBondContact CA-O 3.47Å; L142-A156 PolarHBondContact N-O 2.8Å; L142-A156 PolarHBondContact O-N 2.88Å; F144-A156 HydrophobicContact CD2-CB 4.22Å; F144-A156 HydrophobicContact CE2-CB 3.96Å; A156-I161 HydrophobicContact CB-CB 3.86Å; A156-I161 HydrophobicContact CB-CD1 3.63Å; A156-I161 HydrophobicContact CB-CG1 3.8Å
157	K	94.1	Very high	93.8	Very high	109 Å²	109	60.3 Å²	60.3	47%	0.474	31%	0.309	S	S	.	.			trans	-120.2	165.2	170.4	-66	179.6	178.3	175.6	0	109.2	D139 E141	D139-K157 WeakPolarHBondContact O-CD 3.3Å; D139-K157 WeakPolarHBondContact O-CE 3.21Å; E141-K157 HydrophobicContact CG-CD 4.13Å; E141-K157 HydrophobicContact CG-CG 3.83Å; E141-K157 WeakPolarHBondContact OE1-CE 3.41Å; E141-K157 IonicContact OE1-NZ 3.37Å; E141-K157 PolarHBondContact OE1-NZ 2.85Å
158	G	93.9	Very high	93.6	Very high	13 Å²	13	64.7 Å²	64.7	13%	0.134	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	-130.5	178.7	0	0	0	0	0	112.5	W129 L131 K138	W129-G158 VanDerWaalsContact CZ2-O 3.22Å; W129-G158 WeakPolarHBondContact CZ2-O 3.28Å; W129-G158 PolarHBondContact NE1-O 2.88Å; L131-G158 WeakPolarHBondContact CD1-O 3.2Å; K138-G158 WeakPolarHBondContact O-CA 3.38Å; K138-G158 PolarHBondContact O-N 2.75Å
159	Q	94.4	Very high	93.4	Very high	63 Å²	63	65 Å²	65	29%	0.294	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	14.3	-171.3	-76.1	-172.7	-12.7	0	0	113.4	N128 W129 Y134	N128-Q159 VanDerWaalsContact CA-O 3.27Å; N128-Q159 WeakPolarHBondContact CA-O 3.38Å; N128-Q159 PolarHBondContact ND2-O 3.28Å; W129-Q159 PolarHBondContact N-O 3.16Å; W129-Q159 VanDerWaalsContact O-CB 3.25Å; W129-Q159 WeakPolarHBondContact O-CB 3.13Å; W129-Q159 WeakPolarHBondContact O-CG 3.35Å; Y134-Q159 HydrophobicContact CD2-CG 3.73Å; Y134-Q159 HydrophobicContact CE2-CB 4.44Å; Y134-Q159 HydrophobicContact CE2-CG 3.64Å
160	E	95.1	Very high	93.4	Very high	67 Å²	67	66 Å²	66	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	138.6	176.9	-174.9	168.3	105.8	0	0	110.7	R119 I126 I127 N128 W129 R162	R119-E160 IonicContact NH2-OE2 3.01Å; R119-E160 PolarHBondContact NH2-OE2 2.93Å; I126-E160 HydrophobicContact CG2-CG 3.58Å; I126-E160 WeakPolarHBondContact CG2-OE2 3.04Å; I127-E160 WeakPolarHBondContact O-CA 3.38Å; N128-E160 WeakPolarHBondContact ND2-CB 3.35Å; N128-E160 WeakPolarHBondContact ND2-CG 3.44Å; N128-E160 PolarHBondContact ND2-OE2 2.92Å; N128-E160 VanDerWaalsContact ND2-OE2 3.09Å; W129-E160 VanDerWaalsContact CH2-N 3.35Å; W129-E160 WeakPolarHBondContact CH2-O 3.25Å; E160-R162 HydrophobicContact CG-CG 4.49Å; E160-R162 IonicContact OE1-CZ 3.3Å; E160-R162 VanDerWaalsContact OE1-CZ 3.3Å; E160-R162 IonicContact OE1-NE 2.86Å; E160-R162 PolarHBondContact OE1-NE 2.86Å; E160-R162 IonicContact OE1-NH2 2.87Å; E160-R162 PolarHBondContact OE1-NH2 2.97Å
161	I	95.1	Very high	93.5	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.051	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144	168.4	-165.4	177.6	0	0	0	108.2	I126 I127 W129 F144 Q154 A156 I163	I126-I161 WeakPolarHBondContact CA-O 3.49Å; I127-I161 HydrophobicContact CB-CG2 3.65Å; I127-I161 HydrophobicContact CD1-CG2 4.46Å; I127-I161 HydrophobicContact CG1-CG2 4.37Å; I127-I161 HydrophobicContact CG2-CG2 4.48Å; I127-I161 PolarHBondContact N-O 3.36Å; I127-I161 PolarHBondContact O-N 3.08Å; W129-I161 HydrophobicContact CH2-CB 3.97Å; W129-I161 HydrophobicContact CH2-CG2 4.36Å; W129-I161 HydrophobicContact CZ3-CB 3.79Å; W129-I161 HydrophobicContact CZ3-CG2 3.71Å; F144-I161 HydrophobicContact CB-CD1 4.43Å; F144-I161 HydrophobicContact CD2-CD1 4.01Å; F144-I161 HydrophobicContact CG-CD1 4.25Å; Q154-I161 HydrophobicContact CB-CD1 3.66Å; Q154-I161 HydrophobicContact CG-CD1 3.23Å; Q154-I161 HydrophobicContact CG-CG1 3.96Å; A156-I161 HydrophobicContact CB-CB 3.86Å; A156-I161 HydrophobicContact CB-CD1 3.63Å; A156-I161 HydrophobicContact CB-CG1 3.8Å; I161-I163 HydrophobicContact CG1-CG1 4.36Å; I161-I163 HydrophobicContact CG2-CD1 4.37Å; I161-I163 HydrophobicContact CG2-CG1 4.44Å
162	R	94.8	Very high	93.6	Very high	127 Å²	127	61 Å²	61	48%	0.479	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.4	179.8	-59.3	-177.3	173.6	-134.3	-5.4	109	E124 I126 E160	E124-R162 IonicContact OE1-CZ 3.53Å; E124-R162 IonicContact OE1-NE 3.85Å; E124-R162 IonicContact OE1-NH1 2.73Å; E124-R162 PolarHBondContact OE1-NH1 3.48Å; I126-R162 HydrophobicContact CG1-CG 4.23Å; E160-R162 HydrophobicContact CG-CG 4.49Å; E160-R162 IonicContact OE1-CZ 3.3Å; E160-R162 VanDerWaalsContact OE1-CZ 3.3Å; E160-R162 IonicContact OE1-NE 2.86Å; E160-R162 PolarHBondContact OE1-NE 2.86Å; E160-R162 IonicContact OE1-NH2 2.87Å; E160-R162 PolarHBondContact OE1-NH2 2.97Å
163	I	93.1	Very high	93.7	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	98.6	-173.8	-51.4	177.7	0	0	0	108.1	T125 I127 L146 V152 I161 F165 L166	T125-I163 PolarHBondContact N-O 2.82Å; T125-I163 PolarHBondContact O-N 2.92Å; I127-I163 HydrophobicContact CD1-CD1 3.74Å; L146-I163 HydrophobicContact CD1-CD1 3.73Å; L146-I163 HydrophobicContact CD2-CD1 3.46Å; L146-I163 VanDerWaalsContact CD2-CD1 3.46Å; L146-I163 HydrophobicContact CG-CD1 4.28Å; V152-I163 HydrophobicContact CG1-CG2 4.5Å; I161-I163 HydrophobicContact CG1-CG1 4.36Å; I161-I163 HydrophobicContact CG2-CD1 4.37Å; I161-I163 HydrophobicContact CG2-CG1 4.44Å; I163-F165 VanDerWaalsContact C-N 3.33Å; I163-F165 HydrophobicContact CG2-CD2 4.14Å; I163-F165 HydrophobicContact CG2-CE2 3.81Å; I163-F165 HydrophobicContact CG2-CZ 4Å; I163-F165 PolarHBondContact O-N 2.79Å; I163-L166 HydrophobicContact CB-CG 4.39Å; I163-L166 HydrophobicContact CG2-CD1 4.41Å; I163-L166 HydrophobicContact CG2-CD2 3.73Å; I163-L166 HydrophobicContact CG2-CG 3.75Å
164	P	90.1	Very high	93.7	Very high	75 Å²	75	57.1 Å²	57.1	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-8.9	-171	29	-32.5	0	0	0	114.6	E124	E124-P164 HydrophobicContact CB-CB 4.32Å
165	F	88.9	Confident	93.7	Very high	93 Å²	93	57.8 Å²	57.8	41%	0.408	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	22	-166	48.2	-105.5	0	0	0	114.1	K150 V152 I163	K150-F165 WeakPolarHBondContact CE-O 3.5Å; K150-F165 PolarHBondContact NZ-O 2.81Å; V152-F165 HydrophobicContact CB-CE2 4.32Å; V152-F165 HydrophobicContact CG1-CE2 3.56Å; V152-F165 HydrophobicContact CG1-CZ 4.05Å; V152-F165 HydrophobicContact CG2-CD2 4.23Å; V152-F165 HydrophobicContact CG2-CE2 3.77Å; I163-F165 VanDerWaalsContact C-N 3.33Å; I163-F165 HydrophobicContact CG2-CD2 4.14Å; I163-F165 HydrophobicContact CG2-CE2 3.81Å; I163-F165 HydrophobicContact CG2-CZ 4Å; I163-F165 PolarHBondContact O-N 2.79Å
166	L	91.9	Very high	93.6	Very high	17 Å²	17	55 Å²	55	9%	0.089	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-73.2	141.8	172.2	-59.3	-170.9	0	0	0	111.1	T125 L146 V152 I163 R168 Y172 I195 V197	T125-L166 HydrophobicContact CG2-CD1 3.94Å; L146-L166 HydrophobicContact CD2-CD1 3.8Å; L146-L166 HydrophobicContact CD2-CD2 4.08Å; V152-L166 HydrophobicContact CG2-CD2 3.98Å; I163-L166 HydrophobicContact CB-CG 4.39Å; I163-L166 HydrophobicContact CG2-CD1 4.41Å; I163-L166 HydrophobicContact CG2-CD2 3.73Å; I163-L166 HydrophobicContact CG2-CG 3.75Å; L166-R168 PolarHBondContact O-N 2.89Å; L166-Y172 HydrophobicContact CB-CD2 4.38Å; L166-Y172 HydrophobicContact CB-CE2 3.77Å; L166-Y172 HydrophobicContact CD1-CD2 4.09Å; L166-Y172 HydrophobicContact CD1-CE2 4.29Å; L166-Y172 HydrophobicContact CD1-CG 4.43Å; L166-Y172 HydrophobicContact CD2-CD1 4.23Å; L166-Y172 HydrophobicContact CD2-CD2 4.4Å; L166-Y172 HydrophobicContact CD2-CE1 3.89Å; L166-Y172 HydrophobicContact CD2-CE2 4.07Å; L166-Y172 HydrophobicContact CD2-CG 4.46Å; L166-Y172 HydrophobicContact CG-CE2 4.26Å; L166-I195 HydrophobicContact CD1-CD1 4.01Å; L166-V197 HydrophobicContact CB-CG2 3.79Å; L166-V197 HydrophobicContact CD1-CG2 4.17Å
167	T	91.8	Very high	93.5	Very high	48 Å²	48	56 Å²	56	29%	0.294	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-73.2	125.9	-178	-53.2	0	0	0	0	110.3	D149 K170 Y172 V197	D149-T167 WeakPolarHBondContact OD2-CB 3.3Å; D149-T167 WeakPolarHBondContact OD2-CG2 3.21Å; D149-T167 PolarHBondContact OD2-OG1 2.81Å; T167-K170 HydrophobicContact CG2-CG 3.74Å; T167-K170 WeakPolarHBondContact O-CB 3.3Å; T167-K170 PolarHBondContact O-N 2.92Å; T167-Y172 PolarHBondContact N-OH 2.93Å; T167-Y172 PolarHBondContact OG1-OH 2.83Å; T167-V197 WeakPolarHBondContact O-CB 3.33Å
168	R	90.6	Very high	93.3	Very high	182 Å²	182	51.1 Å²	51.1	69%	0.687	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	144.3	177	-70.6	-171.3	178.4	173.4	-3.2	112.3	L166 K170 V197 P198	L166-R168 PolarHBondContact O-N 2.89Å; R168-K170 PolarHBondContact O-N 2.89Å; R168-V197 HydrophobicContact CG-CG1 4.33Å; R168-P198 WeakPolarHBondContact CB-O 3.46Å; R168-P198 WeakPolarHBondContact CG-O 3.31Å
169	G	91.8	Very high	92.9	Very high	47 Å²	47	52.5 Å²	52.5	49%	0.485	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	-1.2	-178.4	0	0	0	0	0	115.3	V197	G169-V197 VanDerWaalsContact CA-O 3.24Å; G169-V197 WeakPolarHBondContact CA-O 3.16Å; G169-V197 PolarHBondContact N-O 2.76Å
170	K	94.6	Very high	92.2	Very high	101 Å²	101	56.5 Å²	56.5	44%	0.439	28%	0.276	S	S	.	.			trans	-94.6	153.2	176.2	-61.1	-61.2	-174.7	178.5	0	111.3	D149 T167 R168 Y172 V197	D149-K170 HydrophobicContact CB-CD 4.22Å; D149-K170 HydrophobicContact CB-CG 4.13Å; T167-K170 HydrophobicContact CG2-CG 3.74Å; T167-K170 WeakPolarHBondContact O-CB 3.3Å; T167-K170 PolarHBondContact O-N 2.92Å; R168-K170 PolarHBondContact O-N 2.89Å; K170-Y172 HydrophobicContact CB-CE2 3.99Å; K170-V197 WeakPolarHBondContact O-CG2 3.15Å; K170-V197 PolarHBondContact O-N 2.77Å
171	T	95.8	Very high	91.6	Very high	68 Å²	68	55.4 Å²	55.4	42%	0.417	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.8	170.2	-58.1	0	0	0	0	108.8	G148 D194 I195	G148-T171 WeakPolarHBondContact CA-O 3.32Å; T171-D194 HydrophobicContact CG2-CB 3.92Å; T171-I195 CarbonylContact C-O 3.58Å; T171-I195 VanDerWaalsContact CA-O 3.3Å; T171-I195 WeakPolarHBondContact CA-O 3.43Å
172	Y	96	Very high	91.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.8	171.3	-66.7	-100.5	0	0	0	109.7	L146 F147 D149 K150 L166 T167 K170 D194 I195 V197	L146-Y172 HydrophobicContact CB-CD1 4.05Å; F147-Y172 CarbonylContact O-C 3.6Å; F147-Y172 VanDerWaalsContact O-CA 3.22Å; F147-Y172 WeakPolarHBondContact O-CA 3.3Å; D149-Y172 WeakPolarHBondContact OD1-CE1 3.41Å; D149-Y172 PolarHBondContact OD1-OH 3.27Å; K150-Y172 HydrophobicContact CG-CE1 4.07Å; K150-Y172 WeakPolarHBondContact O-CE1 3.34Å; L166-Y172 HydrophobicContact CB-CD2 4.38Å; L166-Y172 HydrophobicContact CB-CE2 3.77Å; L166-Y172 HydrophobicContact CD1-CD2 4.09Å; L166-Y172 HydrophobicContact CD1-CE2 4.29Å; L166-Y172 HydrophobicContact CD1-CG 4.43Å; L166-Y172 HydrophobicContact CD2-CD1 4.23Å; L166-Y172 HydrophobicContact CD2-CD2 4.4Å; L166-Y172 HydrophobicContact CD2-CE1 3.89Å; L166-Y172 HydrophobicContact CD2-CE2 4.07Å; L166-Y172 HydrophobicContact CD2-CG 4.46Å; L166-Y172 HydrophobicContact CG-CE2 4.26Å; T167-Y172 PolarHBondContact N-OH 2.93Å; T167-Y172 PolarHBondContact OG1-OH 2.83Å; K170-Y172 HydrophobicContact CB-CE2 3.99Å; Y172-D194 CarbonylContact O-C 3.6Å; Y172-D194 WeakPolarHBondContact O-CA 3.41Å; Y172-I195 PolarHBondContact N-O 2.83Å; Y172-I195 WeakPolarHBondContact O-CG1 3.31Å; Y172-I195 PolarHBondContact O-N 3.21Å; Y172-V197 HydrophobicContact CD2-CG2 3.85Å; Y172-V197 HydrophobicContact CE2-CG2 3.85Å
173	T	96.5	Very high	91	Very high	36 Å²	36	58.8 Å²	58.8	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.8	168.5	-49.8	0	0	0	0	108.9	L146 F147 Y175 D194	L146-T173 WeakPolarHBondContact CA-O 3.49Å; F147-T173 PolarHBondContact N-O 2.79Å; F147-T173 PolarHBondContact O-N 2.72Å; T173-Y175 HydrophobicContact CG2-CD2 4.29Å; T173-Y175 HydrophobicContact CG2-CE2 3.51Å; T173-D194 VanDerWaalsContact CB-OD1 3.32Å; T173-D194 WeakPolarHBondContact CB-OD1 3.41Å; T173-D194 WeakPolarHBondContact CG2-OD1 3.21Å; T173-D194 PolarHBondContact OG1-OD1 2.79Å
174	V	95.3	Very high	91	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.5	-176.6	-170.4	0	0	0	0	110.6	L116 I127 F144 F145 L146 N190 V193 I195	L116-V174 HydrophobicContact CD1-CG1 3.92Å; L116-V174 HydrophobicContact CD2-CB 4.07Å; L116-V174 HydrophobicContact CD2-CG1 4.06Å; L116-V174 HydrophobicContact CD2-CG2 4.45Å; I127-V174 HydrophobicContact CD1-CG1 4.25Å; I127-V174 HydrophobicContact CD1-CG2 4.07Å; F144-V174 HydrophobicContact CD1-CG1 3.95Å; F145-V174 WeakPolarHBondContact O-CA 3.35Å; L146-V174 HydrophobicContact CD2-CG2 4.25Å; L146-V174 HydrophobicContact CG-CG1 4.31Å; L146-V174 HydrophobicContact CG-CG2 4.1Å; V174-N190 PolarHBondContact O-ND2 2.74Å; V174-V193 PolarHBondContact N-O 2.89Å; V174-V193 PolarHBondContact O-N 2.86Å; V174-V193 VanDerWaalsContact O-N 3.14Å; V174-I195 HydrophobicContact CG2-CD1 3.59Å; V174-I195 HydrophobicContact CG2-CG1 3.74Å; V174-I195 HydrophobicContact CG2-CG2 4Å
175	Y	94.8	Very high	90.9	Very high	85 Å²	85	57.8 Å²	57.8	33%	0.333	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.9	166.1	-60.6	-88.3	0	0	0	109.5	F144 F145 F147 T173 N190	F144-Y175 CarbonylContact C-O 3.58Å; F144-Y175 VanDerWaalsContact CA-O 3.27Å; F144-Y175 WeakPolarHBondContact CA-O 3.16Å; F145-Y175 PolarHBondContact N-O 3.04Å; F145-Y175 PolarHBondContact O-N 2.65Å; F147-Y175 AromaticContact CD2-CD2 3.63Å; F147-Y175 HydrophobicContact CD2-CD2 3.63Å; F147-Y175 AromaticContact CD2-CE2 3.78Å; F147-Y175 HydrophobicContact CD2-CE2 3.78Å; F147-Y175 AromaticContact CE2-CD2 3.71Å; F147-Y175 HydrophobicContact CE2-CD2 3.71Å; F147-Y175 HydrophobicContact CE2-CE2 4.1Å; T173-Y175 HydrophobicContact CG2-CD2 4.29Å; T173-Y175 HydrophobicContact CG2-CE2 3.51Å; Y175-N190 VanDerWaalsContact CA-OD1 3.31Å; Y175-N190 WeakPolarHBondContact CA-OD1 3.32Å
176	A	93.3	Very high	90.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.8	-179.2	0	0	0	0	0	108	I113 L116 Q143 F144 N190	I113-A176 HydrophobicContact CD1-CB 3.77Å; I113-A176 HydrophobicContact CG2-CB 4.21Å; L116-A176 HydrophobicContact CD1-CB 4.24Å; Q143-A176 WeakPolarHBondContact O-CA 3.23Å; F144-A176 HydrophobicContact CD1-CB 3.7Å; F144-A176 HydrophobicContact CE1-CB 3.49Å; F144-A176 VanDerWaalsContact CE1-CB 3.49Å; F144-A176 HydrophobicContact CE2-CB 4.41Å; F144-A176 HydrophobicContact CG-CB 4.24Å; F144-A176 HydrophobicContact CZ-CB 3.86Å; A176-N190 PolarHBondContact N-OD1 2.74Å; A176-N190 PolarHBondContact O-N 2.68Å; A176-N190 PolarHBondContact O-OD1 2.77Å
177	F	91.1	Very high	89.8	Confident	34 Å²	34	58.7 Å²	58.7	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.4	-178.7	54.8	-75.2	0	0	0	110.3	L142 Q143 F145 N179 T189	L142-F177 CarbonylContact C-O 3.52Å; L142-F177 WeakPolarHBondContact CA-O 3.25Å; Q143-F177 HydrophobicContact CB-CD1 4.41Å; Q143-F177 HydrophobicContact CB-CD2 4.23Å; Q143-F177 HydrophobicContact CB-CE1 3.77Å; Q143-F177 HydrophobicContact CB-CE2 3.65Å; Q143-F177 HydrophobicContact CB-CZ 3.39Å; Q143-F177 HydrophobicContact CG-CE1 3.82Å; Q143-F177 HydrophobicContact CG-CE2 3.97Å; Q143-F177 HydrophobicContact CG-CZ 3.31Å; Q143-F177 PolarHBondContact N-O 3.11Å; Q143-F177 WeakPolarHBondContact O-CD1 3.43Å; Q143-F177 WeakPolarHBondContact O-CE1 3.3Å; Q143-F177 PolarHBondContact O-N 3Å; F145-F177 HydrophobicContact CD2-CD1 4.23Å; F145-F177 AromaticContact CD2-CE1 3.17Å; F145-F177 HydrophobicContact CD2-CE1 3.17Å; F145-F177 AromaticContact CD2-CZ 3.63Å; F145-F177 HydrophobicContact CD2-CZ 3.63Å; F145-F177 HydrophobicContact CE2-CD1 4.44Å; F145-F177 AromaticContact CE2-CE1 3.2Å; F145-F177 HydrophobicContact CE2-CE1 3.2Å; F145-F177 HydrophobicContact CE2-CE2 4.3Å; F145-F177 AromaticContact CE2-CZ 3.08Å; F145-F177 HydrophobicContact CE2-CZ 3.08Å; F145-F177 HydrophobicContact CG-CE1 4.2Å; F145-F177 HydrophobicContact CZ-CE1 4.24Å; F145-F177 AromaticContact CZ-CZ 3.84Å; F145-F177 HydrophobicContact CZ-CZ 3.84Å; F177-N179 PolarHBondContact O-N 3.19Å; F177-T189 HydrophobicContact CB-CG2 4.28Å
178	P	89.7	Confident	88.7	Confident	7 Å²	7	60 Å²	60	5%	0.045	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	134.4	171.6	-18.1	30.5	0	0	0	110.8	A110 H180 M181	A110-P178 HydrophobicContact CB-CG 4.31Å; P178-H180 PolarHBondContact O-N 2.82Å; P178-M181 HydrophobicContact CB-CG 4.1Å; P178-M181 HydrophobicContact CB-SD 3.77Å; P178-M181 HydrophobicContact CG-CE 4.49Å; P178-M181 HydrophobicContact CG-SD 3.91Å
179	N	86	Confident	87.9	Confident	42 Å²	42	55.2 Å²	55.2	23%	0.225	30%	0.303	C	S	.	.	S	Bend	trans	-64.3	-39.8	-175.2	-172.3	29.5	0	0	0	113.5	E141 M155 F177	E141-N179 HydrophobicContact CB-CB 4.14Å; E141-N179 WeakPolarHBondContact O-CB 3.19Å; E141-N179 PolarHBondContact O-N 3.27Å; M155-N179 HydrophobicContact CE-CB 3.61Å; M155-N179 WeakPolarHBondContact CE-ND2 3.01Å; F177-N179 PolarHBondContact O-N 3.19Å
180	H	80.5	Confident	87.3	Confident	146 Å²	146	53.7 Å²	53.7	68%	0.676	28%	0.284	S	S	*	.			trans	-130.4	131.2	-175.9	-67	-53	0	0	0	110.3	P178	P178-H180 PolarHBondContact O-N 2.82Å
181	M	82.9	Confident	86.7	Confident	45 Å²	45	55 Å²	55	22%	0.222	30%	0.3	C	S	.	.			trans	-143.2	135.2	-175.7	-63	-87.7	-85.9	0	0	107.9	A110 P178 T185 A186 V187	A110-M181 HydrophobicContact CB-CE 3.44Å; A110-M181 VanDerWaalsContact CB-CE 3.44Å; A110-M181 HydrophobicContact CB-SD 3.3Å; A110-M181 WeakPolarHBondContact CB-SD 3.33Å; P178-M181 HydrophobicContact CB-CG 4.1Å; P178-M181 HydrophobicContact CB-SD 3.77Å; P178-M181 HydrophobicContact CG-CE 4.49Å; P178-M181 HydrophobicContact CG-SD 3.91Å; M181-T185 HydrophobicContact CE-CG2 3.61Å; M181-T185 HydrophobicContact SD-CG2 3.88Å; M181-A186 VanDerWaalsContact CE-O 3.31Å; M181-A186 WeakPolarHBondContact CE-O 3.4Å; M181-V187 HydrophobicContact CB-CG2 4.23Å; M181-V187 VanDerWaalsContact CE-CA 3.42Å; M181-V187 HydrophobicContact CE-CB 3.99Å; M181-V187 HydrophobicContact CE-CG1 4.26Å; M181-V187 HydrophobicContact CE-CG2 3.74Å; M181-V187 HydrophobicContact CG-CG2 4.28Å
182	D	87.5	Confident	86.3	Confident	59 Å²	59	53.2 Å²	53.2	32%	0.316	30%	0.295	S	S	.	.			trans	-76	169.3	170.3	62.1	60.8	0	0	0	112.1	K106 E184 T185	K106-D182 WeakPolarHBondContact CE-OD2 3.46Å; K106-D182 IonicContact NZ-OD1 3.13Å; K106-D182 PolarHBondContact NZ-OD1 2.86Å; K106-D182 IonicContact NZ-OD2 2.59Å; K106-D182 PolarHBondContact NZ-OD2 2.84Å; D182-E184 PolarHBondContact O-N 2.78Å; D182-E184 WeakPolarHBondContact OD1-CB 3.34Å; D182-E184 PolarHBondContact OD1-N 2.92Å; D182-T185 VanDerWaalsContact CG-OG1 3.3Å; D182-T185 PolarHBondContact O-N 3.01Å; D182-T185 PolarHBondContact OD1-N 2.86Å; D182-T185 PolarHBondContact OD1-OG1 3.13Å; D182-T185 PolarHBondContact OD2-OG1 2.73Å
183	T	89.5	Confident	86.1	Confident	149 Å²	149	55.3 Å²	55.3	91%	0.914	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.6	-175	53	0	0	0	0	114.4
184	E	91.6	Very high	86	Confident	46 Å²	46	58.6 Å²	58.6	22%	0.215	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-16.8	178.4	-54.8	-176.7	135.2	0	0	111.8	R27 K28 Y29 K106 D182	R27-E184 IonicContact CZ-OE1 2.7Å; R27-E184 IonicContact CZ-OE2 3.94Å; R27-E184 IonicContact NE-OE1 2.8Å; R27-E184 PolarHBondContact NE-OE1 3.29Å; R27-E184 IonicContact NE-OE2 2.75Å; R27-E184 IonicContact NH2-OE1 3.67Å; R27-E184 PolarHBondContact NH2-OE1 3.08Å; R27-E184 IonicContact NH2-OE2 3.82Å; K28-E184 CarbonylContact C-O 3.57Å; K28-E184 VanDerWaalsContact CA-O 3.3Å; K28-E184 WeakPolarHBondContact CA-O 3.22Å; Y29-E184 HydrophobicContact CD2-CB 3.76Å; Y29-E184 HydrophobicContact CE2-CB 3.83Å; Y29-E184 WeakPolarHBondContact CE2-OE2 3.28Å; Y29-E184 PolarHBondContact N-O 3.26Å; K106-E184 IonicContact NZ-OE2 2.61Å; K106-E184 PolarHBondContact NZ-OE2 2.99Å; D182-E184 PolarHBondContact O-N 2.78Å; D182-E184 WeakPolarHBondContact OD1-CB 3.34Å; D182-E184 PolarHBondContact OD1-N 2.92Å
185	T	89.6	Confident	85.9	Confident	8 Å²	8	59 Å²	59	5%	0.049	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-90.8	117.7	-177.1	-54.6	0	0	0	0	109.3	A110 M181 D182 V187	A110-T185 HydrophobicContact CB-CG2 3.52Å; M181-T185 HydrophobicContact CE-CG2 3.61Å; M181-T185 HydrophobicContact SD-CG2 3.88Å; D182-T185 VanDerWaalsContact CG-OG1 3.3Å; D182-T185 PolarHBondContact O-N 3.01Å; D182-T185 PolarHBondContact OD1-N 2.86Å; D182-T185 PolarHBondContact OD1-OG1 3.13Å; D182-T185 PolarHBondContact OD2-OG1 2.73Å; T185-V187 PolarHBondContact O-N 3.14Å
186	A	82.9	Confident	85.7	Confident	35 Å²	35	62 Å²	62	29%	0.289	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-66.5	128.6	175.8	0	0	0	0	0	109.3	Y29 M181 Y188	Y29-A186 PolarHBondContact O-N 2.83Å; M181-A186 VanDerWaalsContact CE-O 3.31Å; M181-A186 WeakPolarHBondContact CE-O 3.4Å; A186-Y188 HydrophobicContact CB-CD2 4.39Å; A186-Y188 HydrophobicContact CB-CE2 3.4Å; A186-Y188 VanDerWaalsContact CB-OH 3.28Å; A186-Y188 WeakPolarHBondContact CB-OH 3.45Å; A186-Y188 WeakPolarHBondContact O-CD2 3.29Å; A186-Y188 WeakPolarHBondContact O-CE2 3.13Å
187	V	73.2	Confident	85.6	Confident	94 Å²	94	62.3 Å²	62.3	57%	0.57	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-79.2	128.1	-179.1	-176.1	0	0	0	0	110.2	M181 T185	M181-V187 HydrophobicContact CB-CG2 4.23Å; M181-V187 VanDerWaalsContact CE-CA 3.42Å; M181-V187 HydrophobicContact CE-CB 3.99Å; M181-V187 HydrophobicContact CE-CG1 4.26Å; M181-V187 HydrophobicContact CE-CG2 3.74Å; M181-V187 HydrophobicContact CG-CG2 4.28Å; T185-V187 PolarHBondContact O-N 3.14Å
188	Y	69.6	Low	85.4	Confident	77 Å²	77	66.2 Å²	66.2	30%	0.302	37%	0.372	S	S	.	.			trans	-126.2	127.3	177.3	-62.2	-78	0	0	0	110.1	R30 Y31 A186	R30-Y188 HydrophobicContact CB-CE2 3.88Å; R30-Y188 VanDerWaalsContact CD-OH 3.23Å; R30-Y188 WeakPolarHBondContact CD-OH 3.42Å; R30-Y188 HydrophobicContact CG-CD2 4.38Å; R30-Y188 HydrophobicContact CG-CE2 3.48Å; R30-Y188 VanDerWaalsContact CG-CE2 3.48Å; Y31-Y188 HydrophobicContact CD1-CD2 4.35Å; Y31-Y188 AromaticContact CE1-CD2 3.83Å; Y31-Y188 HydrophobicContact CE1-CD2 3.83Å; Y31-Y188 AromaticContact CE1-CG 3.81Å; Y31-Y188 HydrophobicContact CE1-CG 3.81Å; Y31-Y188 HydrophobicContact CE2-CD2 4.36Å; Y31-Y188 HydrophobicContact CE2-CG 4.33Å; Y31-Y188 AromaticContact CZ-CD2 3.84Å; Y31-Y188 AromaticContact CZ-CG 3.56Å; Y31-Y188 VanDerWaalsContact OH-CB 3.25Å; Y31-Y188 WeakPolarHBondContact OH-CB 3.2Å; Y31-Y188 VanDerWaalsContact OH-CG 3.32Å; A186-Y188 HydrophobicContact CB-CD2 4.39Å; A186-Y188 HydrophobicContact CB-CE2 3.4Å; A186-Y188 VanDerWaalsContact CB-OH 3.28Å; A186-Y188 WeakPolarHBondContact CB-OH 3.45Å; A186-Y188 WeakPolarHBondContact O-CD2 3.29Å; A186-Y188 WeakPolarHBondContact O-CE2 3.13Å
189	T	74.2	Confident	85.2	Confident	81 Å²	81	69.2 Å²	69.2	50%	0.497	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-93.5	158.9	167.1	60.6	0	0	0	0	108.9	F177	F177-T189 HydrophobicContact CB-CG2 4.28Å
190	N	78.7	Confident	85.1	Confident	14 Å²	14	70.6 Å²	70.6	8%	0.075	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-63.8	158.8	161.9	65.6	-60.5	0	0	0	110.4	V174 Y175 A176 G192	V174-N190 PolarHBondContact O-ND2 2.74Å; Y175-N190 VanDerWaalsContact CA-OD1 3.31Å; Y175-N190 WeakPolarHBondContact CA-OD1 3.32Å; A176-N190 PolarHBondContact N-OD1 2.74Å; A176-N190 PolarHBondContact O-N 2.68Å; A176-N190 PolarHBondContact O-OD1 2.77Å; N190-G192 PolarHBondContact O-N 2.7Å
191	T	81.2	Confident	85.4	Confident	129 Å²	129	66.4 Å²	66.4	79%	0.791	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-57.7	126	159.7	-50	0	0	0	0	108.2	V193	T191-V193 VanDerWaalsContact O-CG2 3.31Å; T191-V193 WeakPolarHBondContact O-CG2 3.49Å; T191-V193 PolarHBondContact O-N 3.03Å
192	G	88.1	Confident	85.6	Confident	30 Å²	30	67.6 Å²	67.6	31%	0.309	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-51.6	127.6	-179.5	0	0	0	0	0	110.9	N190	N190-G192 PolarHBondContact O-N 2.7Å
193	V	92.2	Very high	85.4	Confident	44 Å²	44	68.2 Å²	68.2	27%	0.267	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.1	-178.2	179.3	0	0	0	0	109.3	L116 V174 T191 I195	L116-V193 HydrophobicContact CB-CG2 4.15Å; L116-V193 HydrophobicContact CD2-CB 3.93Å; L116-V193 HydrophobicContact CD2-CG1 4.11Å; L116-V193 HydrophobicContact CD2-CG2 4.21Å; V174-V193 PolarHBondContact N-O 2.89Å; V174-V193 PolarHBondContact O-N 2.86Å; V174-V193 VanDerWaalsContact O-N 3.14Å; T191-V193 VanDerWaalsContact O-CG2 3.31Å; T191-V193 WeakPolarHBondContact O-CG2 3.49Å; T191-V193 PolarHBondContact O-N 3.03Å; V193-I195 HydrophobicContact CG1-CG2 4.33Å
194	D	94.3	Very high	85.2	Confident	106 Å²	106	62.8 Å²	62.8	57%	0.567	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	129.5	174.8	-70.1	-22.9	0	0	0	111	T171 Y172 T173	T171-D194 HydrophobicContact CG2-CB 3.92Å; Y172-D194 CarbonylContact O-C 3.6Å; Y172-D194 WeakPolarHBondContact O-CA 3.41Å; T173-D194 VanDerWaalsContact CB-OD1 3.32Å; T173-D194 WeakPolarHBondContact CB-OD1 3.41Å; T173-D194 WeakPolarHBondContact CG2-OD1 3.21Å; T173-D194 PolarHBondContact OG1-OD1 2.79Å
195	I	92.4	Very high	84.7	Confident	9 Å²	9	64 Å²	64	5%	0.046	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.7	175.2	64.3	169.6	0	0	0	108.6	A118 T125 I127 L146 L166 T171 Y172 V174 V193	A118-I195 HydrophobicContact CB-CB 3.92Å; A118-I195 HydrophobicContact CB-CD1 4.23Å; A118-I195 HydrophobicContact CB-CG2 3.48Å; A118-I195 VanDerWaalsContact CB-CG2 3.48Å; T125-I195 HydrophobicContact CG2-CD1 3.98Å; I127-I195 HydrophobicContact CD1-CD1 3.86Å; I127-I195 HydrophobicContact CG1-CD1 4.33Å; L146-I195 HydrophobicContact CD2-CD1 4.15Å; L166-I195 HydrophobicContact CD1-CD1 4.01Å; T171-I195 CarbonylContact C-O 3.58Å; T171-I195 VanDerWaalsContact CA-O 3.3Å; T171-I195 WeakPolarHBondContact CA-O 3.43Å; Y172-I195 PolarHBondContact N-O 2.83Å; Y172-I195 WeakPolarHBondContact O-CG1 3.31Å; Y172-I195 PolarHBondContact O-N 3.21Å; V174-I195 HydrophobicContact CG2-CD1 3.59Å; V174-I195 HydrophobicContact CG2-CG1 3.74Å; V174-I195 HydrophobicContact CG2-CG2 4Å; V193-I195 HydrophobicContact CG1-CG2 4.33Å
196	K	91.8	Very high	84.3	Confident	147 Å²	147	68.3 Å²	68.3	64%	0.639	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.7	175.2	-175.8	175.8	-179.5	179.8	0	109.4	F120	F120-K196 WeakPolarHBondContact CE2-O 3.22Å; F120-K196 WeakPolarHBondContact CZ-O 3.11Å
197	V	89.8	Confident	84.4	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.042	40%	0.404	C	S	.	.			trans	-74.5	122.4	174.4	-169.7	0	0	0	0	108.6	F120 L166 T167 R168 G169 K170 Y172	F120-V197 HydrophobicContact CD1-CG1 4.34Å; F120-V197 HydrophobicContact CE1-CB 4.06Å; F120-V197 HydrophobicContact CE1-CG1 3.82Å; F120-V197 HydrophobicContact CE1-CG2 4.11Å; F120-V197 HydrophobicContact CZ-CB 4.39Å; F120-V197 HydrophobicContact CZ-CG2 4.44Å; L166-V197 HydrophobicContact CB-CG2 3.79Å; L166-V197 HydrophobicContact CD1-CG2 4.17Å; T167-V197 WeakPolarHBondContact O-CB 3.33Å; R168-V197 HydrophobicContact CG-CG1 4.33Å; G169-V197 VanDerWaalsContact CA-O 3.24Å; G169-V197 WeakPolarHBondContact CA-O 3.16Å; G169-V197 PolarHBondContact N-O 2.76Å; K170-V197 WeakPolarHBondContact O-CG2 3.15Å; K170-V197 PolarHBondContact O-N 2.77Å; Y172-V197 HydrophobicContact CD2-CG2 3.85Å; Y172-V197 HydrophobicContact CE2-CG2 3.85Å
198	P	87.9	Confident	85.5	Confident	115 Å²	115	69 Å²	69	75%	0.747	39%	0.389	S	S	*	.			trans	-66.6	0	179.3	28.5	-33.1	0	0	0	112.1	F120 R168	F120-P198 HydrophobicContact CB-CG 3.86Å; F120-P198 HydrophobicContact CD1-CG 3.84Å; F120-P198 HydrophobicContact CD2-CG 3.59Å; F120-P198 HydrophobicContact CE1-CG 4.32Å; F120-P198 HydrophobicContact CE2-CG 4.13Å; F120-P198 HydrophobicContact CG-CG 3.43Å; F120-P198 VanDerWaalsContact CG-CG 3.43Å; F120-P198 HydrophobicContact CZ-CG 4.47Å; R168-P198 WeakPolarHBondContact CB-O 3.46Å; R168-P198 WeakPolarHBondContact CG-O 3.31Å

Retrieved 198 of 198 residues in 139.9 ms (Link to these results)

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