A0A5K4F812_SCHMA Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F812, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 253 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	37.3	Very low	237 Å²	237	165.4 Å²	165.4	100%	1.167	78%	0.779	S	S	*	*				0	113.6	0	-92.5	167.1	141.6	0	0	109
2	T	39.5	Very low	37.1	Very low	110 Å²	110	163.1 Å²	163.1	68%	0.675	77%	0.773	S	S	*	*			trans	31.7	91.5	163.5	36.8	0	0	0	0	119.2	Y4	T2-Y4 HydrophobicContact CG2-CE2 4.09Å
3	K	36	Very low	36.5	Very low	206 Å²	206	157.3 Å²	157.3	90%	0.896	76%	0.761	S	S	*	*			trans	-82.1	112.6	152.8	-76.1	-178.3	175.4	-179.8	0	108.1
4	Y	42.3	Very low	36.2	Very low	188 Å²	188	155.9 Å²	155.9	74%	0.737	76%	0.757	S	S	*	*			trans	-85.3	115.5	168.8	-76.5	-84.8	0	0	0	109	T2	T2-Y4 HydrophobicContact CG2-CE2 4.09Å
5	L	35.8	Very low	35.6	Very low	150 Å²	150	158.3 Å²	158.3	79%	0.785	76%	0.757	S	S	*	*			trans	-81.2	110.9	168.7	-120.5	103	0	0	0	107.8	I7	L5-I7 HydrophobicContact CD2-CG1 4.38Å
6	F	36.6	Very low	35.1	Very low	189 Å²	189	158.3 Å²	158.3	83%	0.829	76%	0.761	S	S	*	*			trans	-83.9	111	165.6	-90.1	-92.9	0	0	0	108.4
7	I	41.2	Very low	34.6	Very low	123 Å²	123	160.5 Å²	160.5	63%	0.631	77%	0.767	S	S	*	*			trans	-90.6	111.4	170	-63.8	174.2	0	0	0	107.1	L5 H9	L5-I7 HydrophobicContact CD2-CG1 4.38Å; I7-H9 WeakPolarHBondContact CG2-CE1 3.46Å; I7-H9 VanDerWaalsContact CG2-ND1 3.3Å; I7-H9 WeakPolarHBondContact CG2-ND1 2.99Å
8	I	39.8	Very low	34.1	Very low	140 Å²	140	154.9 Å²	154.9	72%	0.718	75%	0.752	S	S	*	*			trans	-88.8	111.3	171.7	-59.6	174.1	0	0	0	107.2	I10	I8-I10 HydrophobicContact CG2-CG1 3.91Å; I8-I10 PolarHBondContact O-N 3.33Å
9	H	33.1	Very low	33.7	Very low	141 Å²	141	153 Å²	153	65%	0.653	76%	0.755	S	S	*	*			trans	-84.4	105.1	167.7	-79	21.1	0	0	0	109.1	I7 Y11	I7-H9 WeakPolarHBondContact CG2-CE1 3.46Å; I7-H9 VanDerWaalsContact CG2-ND1 3.3Å; I7-H9 WeakPolarHBondContact CG2-ND1 2.99Å; H9-Y11 HydrophobicContact CB-CD2 4.31Å; H9-Y11 HydrophobicContact CB-CE2 4.2Å; H9-Y11 PolarHBondContact O-N 3.34Å
10	I	34.9	Very low	33.3	Very low	139 Å²	139	153.9 Å²	153.9	71%	0.713	75%	0.75	S	S	*	*			trans	-86.6	101.3	168.6	-58.9	178	0	0	0	107.1	I8 I12	I8-I10 HydrophobicContact CG2-CG1 3.91Å; I8-I10 PolarHBondContact O-N 3.33Å; I10-I12 HydrophobicContact CG2-CG1 4.12Å; I10-I12 PolarHBondContact O-N 3.39Å
11	Y	33	Very low	33.3	Very low	196 Å²	196	151.5 Å²	151.5	77%	0.769	73%	0.734	S	S	*	*			trans	-77.3	102	168	-86	-92	0	0	0	108.8	H9 S13	H9-Y11 HydrophobicContact CB-CD2 4.31Å; H9-Y11 HydrophobicContact CB-CE2 4.2Å; H9-Y11 PolarHBondContact O-N 3.34Å; Y11-S13 PolarHBondContact O-N 3.24Å; Y11-S13 VanDerWaalsContact O-N 3.16Å
12	I	34.1	Very low	32.9	Very low	138 Å²	138	142.3 Å²	142.3	71%	0.708	69%	0.691	S	S	*	*			trans	-75.5	96.6	166.2	-61.6	175.3	0	0	0	106.7	I10 I14	I10-I12 HydrophobicContact CG2-CG1 4.12Å; I10-I12 PolarHBondContact O-N 3.39Å; I12-I14 VanDerWaalsContact C-N 3.34Å; I12-I14 HydrophobicContact CG2-CG1 4Å; I12-I14 PolarHBondContact O-N 3.1Å
13	S	29.9	Very low	32.4	Very low	88 Å²	88	142.7 Å²	142.7	62%	0.615	69%	0.685	S	S	*	*			trans	-67.8	94.3	165.4	-69	0	0	0	0	108.8	Y11 Y15	Y11-S13 PolarHBondContact O-N 3.24Å; Y11-S13 VanDerWaalsContact O-N 3.16Å; S13-Y15 VanDerWaalsContact C-N 3.28Å; S13-Y15 PolarHBondContact O-N 3.31Å
14	I	31.7	Very low	32.1	Very low	137 Å²	137	133.8 Å²	133.8	70%	0.703	65%	0.649	S	S	*	*			trans	-69.8	93.1	162.3	-58.6	176	0	0	0	106	I12 L16	I12-I14 VanDerWaalsContact C-N 3.34Å; I12-I14 HydrophobicContact CG2-CG1 4Å; I12-I14 PolarHBondContact O-N 3.1Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.27Å
15	Y	28	Very low	31.4	Very low	193 Å²	193	131.3 Å²	131.3	76%	0.757	65%	0.649	S	S	*	*			trans	-65	96.4	165.1	-82.6	-89.1	0	0	0	107.7	S13 F17	S13-Y15 VanDerWaalsContact C-N 3.28Å; S13-Y15 PolarHBondContact O-N 3.31Å; Y15-F17 PolarHBondContact O-N 3.14Å
16	L	27.1	Very low	31.3	Very low	158 Å²	158	126 Å²	126	83%	0.827	62%	0.622	S	S	*	*			trans	-61.6	104.6	161	-81.6	159.1	0	0	0	107	I14 A18	I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.27Å; L16-A18 PolarHBondContact O-N 3.2Å
17	F	26.3	Very low	31.4	Very low	195 Å²	195	125.6 Å²	125.6	86%	0.855	62%	0.615	S	S	*	*			trans	-64.4	82.4	165.1	-83.1	-91.8	0	0	0	108.4	Y15 C19	Y15-F17 PolarHBondContact O-N 3.14Å; F17-C19 PolarHBondContact O-N 2.83Å
18	A	26.1	Very low	31.6	Very low	61 Å²	61	130 Å²	130	50%	0.504	62%	0.624	S	S	.	*			trans	-66.1	114.4	153.3	0	0	0	0	0	105.8	L16 Y20	L16-A18 PolarHBondContact O-N 3.2Å; A18-Y20 HydrophobicContact CB-CD2 3.9Å; A18-Y20 HydrophobicContact CB-CE2 3.78Å; A18-Y20 WeakPolarHBondContact O-CD2 3.36Å; A18-Y20 PolarHBondContact O-N 3.09Å
19	C	25.9	Very low	32.2	Very low	118 Å²	118	123.7 Å²	123.7	80%	0.797	59%	0.592	S	S	*	*			trans	-61.6	85.1	165.7	-76.9	0	0	0	0	107.9	F17 Y21	F17-C19 PolarHBondContact O-N 2.83Å; C19-Y21 PolarHBondContact O-N 3.43Å
20	Y	27	Very low	33.6	Very low	170 Å²	170	118 Å²	118	67%	0.667	57%	0.566	S	S	*	*			trans	-66.6	111.7	167.1	-86	-88	0	0	0	107	A18 T22	A18-Y20 HydrophobicContact CB-CD2 3.9Å; A18-Y20 HydrophobicContact CB-CE2 3.78Å; A18-Y20 WeakPolarHBondContact O-CD2 3.36Å; A18-Y20 PolarHBondContact O-N 3.09Å; Y20-T22 PolarHBondContact O-N 2.88Å; Y20-T22 VanDerWaalsContact O-N 3.13Å
21	Y	31.9	Very low	34.8	Very low	105 Å²	105	113.5 Å²	113.5	41%	0.412	55%	0.545	S	S	.	.			trans	-52.8	119.3	163.2	-74.6	-89	0	0	0	107.5	C19 Q23 L33 L80	C19-Y21 PolarHBondContact O-N 3.43Å; Y21-Q23 PolarHBondContact O-N 2.04Å; Y21-Q23 VanDerWaalsContact O-N 3.15Å; Y21-L33 HydrophobicContact CD1-CD2 3.83Å; Y21-L33 HydrophobicContact CE1-CD2 3.81Å; Y21-L33 HydrophobicContact CG-CD2 4.43Å; Y21-L80 WeakPolarHBondContact OH-CD2 3.37Å
22	T	30.5	Very low	36.2	Very low	44 Å²	44	104.7 Å²	104.7	27%	0.27	51%	0.511	S	S	.	.			trans	-62.9	115.3	-179.7	35.7	0	0	0	0	109.7	Y20 S24 I183	Y20-T22 PolarHBondContact O-N 2.88Å; Y20-T22 VanDerWaalsContact O-N 3.13Å; T22-S24 PolarHBondContact O-N 2.01Å; T22-I183 WeakPolarHBondContact CG2-O 3.46Å
23	Q	28.9	Very low	37.5	Very low	117 Å²	117	99 Å²	99	55%	0.547	48%	0.482	S	S	.	.			trans	-58	120.1	179.3	-68.2	178.4	-22.4	0	0	111.8	Y21 W57	Y21-Q23 PolarHBondContact O-N 2.04Å; Y21-Q23 VanDerWaalsContact O-N 3.15Å; Q23-W57 HydrophobicContact CB-CZ2 4.48Å; Q23-W57 HydrophobicContact CG-CH2 4.33Å; Q23-W57 HydrophobicContact CG-CZ2 4Å
24	S	30.7	Very low	39	Very low	20 Å²	20	96 Å²	96	14%	0.14	46%	0.461	C	S	.	.			trans	-85.2	113.1	153.8	-176	0	0	0	0	107.3	T22 T26 D29 W57	T22-S24 PolarHBondContact O-N 2.01Å; S24-T26 VanDerWaalsContact C-N 3.29Å; S24-T26 PolarHBondContact O-N 3.38Å; S24-T26 VanDerWaalsContact O-N 3.17Å; S24-D29 PolarHBondContact OG-OD2 2.78Å; S24-W57 PolarHBondContact O-NE1 2.95Å
25	N	27	Very low	40.4	Very low	135 Å²	135	89.9 Å²	89.9	72%	0.722	43%	0.43	S	S	*	.			trans	-91.1	59.7	-173.6	-157.4	-8.1	0	0	0	111.3
26	T	33.4	Very low	42.2	Very low	38 Å²	38	81.4 Å²	81.4	23%	0.233	40%	0.399	C	S	.	.			trans	-131.6	118.3	172.3	150.7	0	0	0	0	108	S24 R28 D29	S24-T26 VanDerWaalsContact C-N 3.29Å; S24-T26 PolarHBondContact O-N 3.38Å; S24-T26 VanDerWaalsContact O-N 3.17Å; T26-R28 PolarHBondContact O-N 3.15Å; T26-D29 VanDerWaalsContact CB-OD1 3.26Å; T26-D29 WeakPolarHBondContact CB-OD1 3.32Å; T26-D29 WeakPolarHBondContact CB-OD2 3.47Å; T26-D29 VanDerWaalsContact O-CB 3.25Å; T26-D29 WeakPolarHBondContact O-CB 3.02Å; T26-D29 PolarHBondContact O-N 3.29Å; T26-D29 PolarHBondContact OG1-OD1 2.86Å; T26-D29 PolarHBondContact OG1-OD2 2.79Å
27	R	38.6	Very low	44.3	Very low	181 Å²	181	79.6 Å²	79.6	68%	0.683	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	8.1	-162.2	-67.5	177.4	-179.6	174	-0.9	116.2	R118	R27-R118 PolarHBondContact O-NH1 2.79Å; R27-R118 VanDerWaalsContact O-NH1 3.13Å
28	R	46.2	Very low	46.7	Very low	215 Å²	215	76.8 Å²	76.8	81%	0.811	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	9.5	176.5	-67	-172.4	178.3	-173	0.3	112.2	T26	T26-R28 PolarHBondContact O-N 3.15Å
29	D	52.8	Low	49.1	Very low	8 Å²	8	74.4 Å²	74.4	4%	0.043	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-84.7	132.5	-169.5	-69.2	9.6	0	0	0	111.2	S24 T26 G56	S24-D29 PolarHBondContact OG-OD2 2.78Å; T26-D29 VanDerWaalsContact CB-OD1 3.26Å; T26-D29 WeakPolarHBondContact CB-OD1 3.32Å; T26-D29 WeakPolarHBondContact CB-OD2 3.47Å; T26-D29 VanDerWaalsContact O-CB 3.25Å; T26-D29 WeakPolarHBondContact O-CB 3.02Å; T26-D29 PolarHBondContact O-N 3.29Å; T26-D29 PolarHBondContact OG1-OD1 2.86Å; T26-D29 PolarHBondContact OG1-OD2 2.79Å; D29-G56 WeakPolarHBondContact O-CA 3.45Å
30	I	60.6	Low	51.4	Low	22 Å²	22	73.8 Å²	73.8	11%	0.113	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-96.3	129.1	166.8	-62.6	170.7	0	0	0	106.5	I54 G55 P111 N137	I30-I54 HydrophobicContact CD1-CD1 4.38Å; I30-I54 HydrophobicContact CG2-CB 3.5Å; I30-I54 VanDerWaalsContact CG2-CB 3.5Å; I30-I54 HydrophobicContact CG2-CD1 3.62Å; I30-I54 HydrophobicContact CG2-CG1 4.03Å; I30-I54 HydrophobicContact CG2-CG2 3.97Å; I30-G55 CarbonylContact C-O 3.54Å; I30-G55 WeakPolarHBondContact CA-O 3.48Å; I30-P111 HydrophobicContact CD1-CB 3.78Å; I30-P111 HydrophobicContact CD1-CG 4.39Å; I30-P111 HydrophobicContact CG1-CB 4.42Å; I30-N137 PolarHBondContact O-ND2 3.33Å; I30-N137 PolarHBondContact O-OD1 3.32Å
31	T	61.4	Low	53.8	Low	44 Å²	44	68.6 Å²	68.6	27%	0.27	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.3	171.7	-58.1	0	0	0	0	108.4	L33 I54 G55	T31-L33 HydrophobicContact CG2-CD2 4.31Å; T31-I54 CarbonylContact O-C 3.44Å; T31-I54 WeakPolarHBondContact O-CA 3.43Å; T31-G55 PolarHBondContact N-O 2.97Å; T31-G55 PolarHBondContact O-N 2.85Å
32	L	62.4	Low	56.1	Low	12 Å²	12	63.6 Å²	63.6	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.7	168.9	-59.7	-170.2	0	0	0	109.2	I54 P163 M228	L32-I54 HydrophobicContact CD2-CG2 3.49Å; L32-I54 VanDerWaalsContact CD2-CG2 3.49Å; L32-P163 HydrophobicContact CD1-CB 4.35Å; L32-P163 HydrophobicContact CD1-CG 3.64Å; L32-M228 HydrophobicContact CB-CE 3.87Å; L32-M228 HydrophobicContact CB-SD 4.32Å; L32-M228 HydrophobicContact CD1-CE 3.23Å; L32-M228 HydrophobicContact CD1-SD 3.38Å; L32-M228 WeakPolarHBondContact CD1-SD 2.99Å; L32-M228 HydrophobicContact CG-CE 3.54Å; L32-M228 HydrophobicContact CG-SD 4.22Å
33	L	61.4	Low	58.3	Low	17 Å²	17	66.2 Å²	66.2	9%	0.089	32%	0.317	C	S	.	.			trans	-103.5	-17.8	179.9	-57.8	178.1	0	0	0	112.4	Y21 T31 W53 L80 F92	Y21-L33 HydrophobicContact CD1-CD2 3.83Å; Y21-L33 HydrophobicContact CE1-CD2 3.81Å; Y21-L33 HydrophobicContact CG-CD2 4.43Å; T31-L33 HydrophobicContact CG2-CD2 4.31Å; L33-W53 HydrophobicContact CB-CB 3.77Å; L33-W53 PolarHBondContact N-O 3.4Å; L33-L80 HydrophobicContact CB-CD2 4.31Å; L33-F92 HydrophobicContact CD1-CZ 4.16Å
34	S	61.3	Low	60.6	Low	25 Å²	25	65.3 Å²	65.3	18%	0.175	32%	0.319	C	S	.	.	S	Bend	trans	-149.2	168.1	174.6	85.7	0	0	0	0	112.4	K52 W53	S34-K52 WeakPolarHBondContact OG-CA 3.3Å; S34-W53 PolarHBondContact N-O 3.36Å; S34-W53 PolarHBondContact OG-N 3.37Å
35	T	60.3	Low	63.1	Low	10 Å²	10	66.5 Å²	66.5	6%	0.061	33%	0.325	C	S	.	.			trans	-76	167.4	165.1	56.3	0	0	0	0	112.3	K37 K52 I202 T224 S225 E226	T35-K37 PolarHBondContact O-N 2.91Å; T35-K37 VanDerWaalsContact OG1-CE 3.24Å; T35-K37 WeakPolarHBondContact OG1-CE 3.47Å; T35-K52 WeakPolarHBondContact O-CB 3.1Å; T35-I202 HydrophobicContact CG2-CD1 3.98Å; T35-T224 WeakPolarHBondContact CB-O 3.03Å; T35-S225 WeakPolarHBondContact CG2-O 3.41Å; T35-E226 HydrophobicContact CG2-CB 3.86Å; T35-E226 HydrophobicContact CG2-CG 3.33Å; T35-E226 VanDerWaalsContact CG2-N 3.29Å
36	C	67.5	Low	65.9	Low	14 Å²	14	61.2 Å²	61.2	10%	0.095	30%	0.296	C	S	.	.			trans	-64.1	116.2	167.6	-168.9	0	0	0	0	110.6	C129 D223 T224	C36-C129 WeakPolarHBondContact CA-SG 3.42Å; C36-C129 HydrophobicContact CB-CB 3.93Å; C36-C129 WeakPolarHBondContact CB-SG 3.29Å; C36-C129 WeakPolarHBondContact SG-CB 3.39Å; C36-C129 CovalentContact SG-SG 2.02Å; C36-C129 PolarHBondContact SG-SG 3.1Å; C36-D223 WeakPolarHBondContact CB-O 3.3Å; C36-D223 PolarHBondContact N-O 3.22Å; C36-T224 HydrophobicContact CB-CG2 4.37Å
37	K	69.6	Low	68.4	Low	120 Å²	120	65 Å²	65	52%	0.522	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.7	177.4	-67.6	-172.8	178.5	-179.2	0	110.2	T35 C39 Y50 S51	T35-K37 PolarHBondContact O-N 2.91Å; T35-K37 VanDerWaalsContact OG1-CE 3.24Å; T35-K37 WeakPolarHBondContact OG1-CE 3.47Å; K37-C39 PolarHBondContact O-N 3.15Å; K37-Y50 WeakPolarHBondContact O-CA 3.36Å; K37-S51 PolarHBondContact N-O 2.88Å; K37-S51 PolarHBondContact O-N 3.22Å; K37-S51 VanDerWaalsContact O-O 3.09Å
38	W	78.3	Confident	70.5	Confident	136 Å²	136	57.4 Å²	57.4	52%	0.515	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	135.9	169	-175.9	-94	0	0	0	109.5	N49 Y50	W38-N49 WeakPolarHBondContact CA-O 3.44Å; W38-N49 HydrophobicContact CD2-CB 4.32Å; W38-N49 HydrophobicContact CE3-CB 3.78Å; W38-N49 HydrophobicContact CH2-CB 3.44Å; W38-N49 VanDerWaalsContact CH2-CB 3.44Å; W38-N49 HydrophobicContact CZ2-CB 3.98Å; W38-N49 HydrophobicContact CZ3-CB 3.33Å; W38-Y50 HydrophobicContact CB-CE1 4.3Å; W38-Y50 HydrophobicContact CE3-CD1 4.49Å; W38-Y50 AromaticContact CE3-CD2 3.95Å; W38-Y50 HydrophobicContact CE3-CD2 3.95Å; W38-Y50 HydrophobicContact CE3-CE1 4.05Å; W38-Y50 AromaticContact CE3-CE2 3.45Å; W38-Y50 HydrophobicContact CE3-CE2 3.45Å; W38-Y50 VanDerWaalsContact CE3-CE2 3.45Å; W38-Y50 HydrophobicContact CE3-CG 4.45Å; W38-Y50 AromaticContact CE3-CZ 3.51Å; W38-Y50 HydrophobicContact CZ3-CD2 4.16Å; W38-Y50 AromaticContact CZ3-CE2 3.58Å; W38-Y50 HydrophobicContact CZ3-CE2 3.58Å
39	C	75.9	Confident	72.3	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.074	28%	0.277	C	S	.	.			trans	-125.8	102	-179.6	172.6	0	0	0	0	108.7	K37 N41 C42 N49 S51	K37-C39 PolarHBondContact O-N 3.15Å; C39-N41 PolarHBondContact O-N 2.02Å; C39-N41 VanDerWaalsContact O-N 3.11Å; C39-C42 HydrophobicContact CB-CB 3.56Å; C39-C42 WeakPolarHBondContact CB-SG 3.09Å; C39-C42 PolarHBondContact O-N 2.89Å; C39-C42 VanDerWaalsContact O-N 3.07Å; C39-C42 WeakPolarHBondContact SG-CB 3.46Å; C39-C42 PolarHBondContact SG-N 3.09Å; C39-C42 VanDerWaalsContact SG-N 3.39Å; C39-C42 CovalentContact SG-SG 2.01Å; C39-C42 PolarHBondContact SG-SG 2.84Å; C39-N49 PolarHBondContact N-O 2.62Å; C39-S51 WeakPolarHBondContact CB-OG 3.44Å
40	T	73.5	Confident	73.6	Confident	105 Å²	105	56 Å²	56	64%	0.644	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.2	-170.4	-41.8	0	0	0	0	113.4
41	N	78.1	Confident	74.5	Confident	61 Å²	61	55 Å²	55	33%	0.326	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	2.4	-177.4	-64.1	-13.4	0	0	0	113.7	C39 N43 T44 P87 F90	C39-N41 PolarHBondContact O-N 2.02Å; C39-N41 VanDerWaalsContact O-N 3.11Å; N41-N43 VanDerWaalsContact C-N 3.29Å; N41-N43 PolarHBondContact O-N 2.91Å; N41-T44 PolarHBondContact O-N 2.77Å; N41-T44 PolarHBondContact O-OG1 3.03Å; N41-P87 PolarHBondContact ND2-O 2.91Å; N41-F90 HydrophobicContact CB-CZ 4.28Å
42	C	80.5	Confident	75.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-33.2	-174.8	-82.2	0	0	0	0	112.7	C39 T44 N45 M46 C48 S51 F90	C39-C42 HydrophobicContact CB-CB 3.56Å; C39-C42 WeakPolarHBondContact CB-SG 3.09Å; C39-C42 PolarHBondContact O-N 2.89Å; C39-C42 VanDerWaalsContact O-N 3.07Å; C39-C42 WeakPolarHBondContact SG-CB 3.46Å; C39-C42 PolarHBondContact SG-N 3.09Å; C39-C42 VanDerWaalsContact SG-N 3.39Å; C39-C42 CovalentContact SG-SG 2.01Å; C39-C42 PolarHBondContact SG-SG 2.84Å; C42-T44 PolarHBondContact O-N 3.35Å; C42-N45 PolarHBondContact O-N 2.99Å; C42-M46 HydrophobicContact CB-CB 4.21Å; C42-M46 HydrophobicContact CB-CG 4.44Å; C42-M46 HydrophobicContact CB-SD 4.07Å; C42-M46 CarbonylContact O-C 3.52Å; C42-M46 VanDerWaalsContact O-CA 3.29Å; C42-M46 WeakPolarHBondContact O-CA 2.91Å; C42-M46 VanDerWaalsContact O-CB 3.27Å; C42-M46 WeakPolarHBondContact O-CB 3.4Å; C42-M46 PolarHBondContact O-N 2.84Å; C42-M46 PolarHBondContact SG-SD 3Å; C42-C48 WeakPolarHBondContact CB-O 3.49Å; C42-S51 PolarHBondContact SG-OG 2.7Å; C42-S51 VanDerWaalsContact SG-OG 3.33Å; C42-F90 HydrophobicContact CB-CE1 4.45Å
43	N	75.2	Confident	76.2	Confident	100 Å²	100	52.7 Å²	52.7	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-55.2	-22.8	177.2	61.6	-8.1	0	0	0	115.1	N41	N41-N43 VanDerWaalsContact C-N 3.29Å; N41-N43 PolarHBondContact O-N 2.91Å
44	T	78.8	Confident	76.9	Confident	97 Å²	97	52 Å²	52	60%	0.595	28%	0.275	S	S	*	.	H	α-helix	trans	-80.6	-31.1	178	61.7	0	0	0	0	113.2	N41 C42	N41-T44 PolarHBondContact O-N 2.77Å; N41-T44 PolarHBondContact O-OG1 3.03Å; C42-T44 PolarHBondContact O-N 3.35Å
45	N	82.1	Confident	77.5	Confident	46 Å²	46	51.2 Å²	51.2	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-122.5	-8.3	-170.9	-75.6	-32.5	0	0	0	114	C42 F90 S106 K107	C42-N45 PolarHBondContact O-N 2.99Å; N45-F90 HydrophobicContact CB-CD1 4.31Å; N45-F90 HydrophobicContact CB-CD2 4.35Å; N45-F90 HydrophobicContact CB-CE1 4.03Å; N45-F90 HydrophobicContact CB-CE2 4.08Å; N45-F90 HydrophobicContact CB-CG 4.49Å; N45-F90 HydrophobicContact CB-CZ 3.91Å; N45-F90 WeakPolarHBondContact ND2-CE2 3Å; N45-S106 PolarHBondContact ND2-O 3.16Å; N45-S106 VanDerWaalsContact ND2-O 3.09Å; N45-K107 HydrophobicContact CB-CD 3.99Å; N45-K107 VanDerWaalsContact OD1-CE 3.27Å; N45-K107 WeakPolarHBondContact OD1-CE 3.26Å; N45-K107 PolarHBondContact OD1-NZ 2.88Å
46	M	86.1	Confident	78.2	Confident	23 Å²	23	51.3 Å²	51.3	11%	0.113	27%	0.274	C	S	.	.	S	Bend	trans	-139.6	156.8	-177.4	-56.7	179.5	68.6	0	0	109.5	C42 C48 F90 P108 R126	C42-M46 HydrophobicContact CB-CB 4.21Å; C42-M46 HydrophobicContact CB-CG 4.44Å; C42-M46 HydrophobicContact CB-SD 4.07Å; C42-M46 CarbonylContact O-C 3.52Å; C42-M46 VanDerWaalsContact O-CA 3.29Å; C42-M46 WeakPolarHBondContact O-CA 2.91Å; C42-M46 VanDerWaalsContact O-CB 3.27Å; C42-M46 WeakPolarHBondContact O-CB 3.4Å; C42-M46 PolarHBondContact O-N 2.84Å; C42-M46 PolarHBondContact SG-SD 3Å; M46-C48 PolarHBondContact O-N 3.09Å; M46-F90 HydrophobicContact CG-CD1 4.29Å; M46-F90 HydrophobicContact CG-CE1 4.43Å; M46-F90 HydrophobicContact SD-CD1 3.92Å; M46-F90 HydrophobicContact SD-CE1 4.22Å; M46-P108 HydrophobicContact CG-CG 3.98Å; M46-R126 HydrophobicContact CE-CB 3.94Å; M46-R126 HydrophobicContact SD-CB 3.7Å
47	S	85.5	Confident	78.4	Confident	117 Å²	117	52.7 Å²	52.7	82%	0.818	28%	0.277	S	S	*	.	S	Bend	trans	-83.2	18.9	179.4	51.6	0	0	0	0	114
48	C	82.9	Confident	78.9	Confident	23 Å²	23	47 Å²	47	16%	0.155	25%	0.253	C	S	.	.			trans	-149.5	155.7	-172.1	60.6	0	0	0	0	113.2	C42 M46 Y50 C128	C42-C48 WeakPolarHBondContact CB-O 3.49Å; M46-C48 PolarHBondContact O-N 3.09Å; C48-Y50 PolarHBondContact SG-O 3.27Å; C48-C128 HydrophobicContact CB-CB 3.63Å; C48-C128 WeakPolarHBondContact CB-SG 3.29Å; C48-C128 WeakPolarHBondContact SG-CA 3.37Å; C48-C128 WeakPolarHBondContact SG-CB 3.49Å; C48-C128 CovalentContact SG-SG 2.03Å; C48-C128 PolarHBondContact SG-SG 2.73Å
49	N	85.1	Confident	79.3	Confident	69 Å²	69	41.7 Å²	41.7	37%	0.369	23%	0.234	S	C	.	.	S	Bend	trans	-95.5	-17.7	173.9	-59.7	-26.7	0	0	0	113	W38 C39	W38-N49 WeakPolarHBondContact CA-O 3.44Å; W38-N49 HydrophobicContact CD2-CB 4.32Å; W38-N49 HydrophobicContact CE3-CB 3.78Å; W38-N49 HydrophobicContact CH2-CB 3.44Å; W38-N49 VanDerWaalsContact CH2-CB 3.44Å; W38-N49 HydrophobicContact CZ2-CB 3.98Å; W38-N49 HydrophobicContact CZ3-CB 3.33Å; C39-N49 PolarHBondContact N-O 2.62Å
50	Y	78.7	Confident	79.8	Confident	125 Å²	125	41.4 Å²	41.4	49%	0.49	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.5	178.7	-75.1	-86.6	0	0	0	109	K37 W38 C48 C129	K37-Y50 WeakPolarHBondContact O-CA 3.36Å; W38-Y50 HydrophobicContact CB-CE1 4.3Å; W38-Y50 HydrophobicContact CE3-CD1 4.49Å; W38-Y50 AromaticContact CE3-CD2 3.95Å; W38-Y50 HydrophobicContact CE3-CD2 3.95Å; W38-Y50 HydrophobicContact CE3-CE1 4.05Å; W38-Y50 AromaticContact CE3-CE2 3.45Å; W38-Y50 HydrophobicContact CE3-CE2 3.45Å; W38-Y50 VanDerWaalsContact CE3-CE2 3.45Å; W38-Y50 HydrophobicContact CE3-CG 4.45Å; W38-Y50 AromaticContact CE3-CZ 3.51Å; W38-Y50 HydrophobicContact CZ3-CD2 4.16Å; W38-Y50 AromaticContact CZ3-CE2 3.58Å; W38-Y50 HydrophobicContact CZ3-CE2 3.58Å; C48-Y50 PolarHBondContact SG-O 3.27Å; Y50-C129 PolarHBondContact O-N 2.78Å; Y50-C129 VanDerWaalsContact O-N 3.07Å; Y50-C129 PolarHBondContact O-SG 2.01Å; Y50-C129 VanDerWaalsContact O-SG 3.35Å
51	S	80.7	Confident	80.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162	179.3	67.9	0	0	0	0	110.7	K37 C39 C42 R126 I127	K37-S51 PolarHBondContact N-O 2.88Å; K37-S51 PolarHBondContact O-N 3.22Å; K37-S51 VanDerWaalsContact O-O 3.09Å; C39-S51 WeakPolarHBondContact CB-OG 3.44Å; C42-S51 PolarHBondContact SG-OG 2.7Å; C42-S51 VanDerWaalsContact SG-OG 3.33Å; S51-R126 PolarHBondContact OG-NH1 3.36Å; S51-I127 VanDerWaalsContact CA-O 3.22Å; S51-I127 WeakPolarHBondContact CA-O 3.43Å; S51-I127 WeakPolarHBondContact CB-O 3.33Å
52	K	77.6	Confident	81.1	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	158.1	165.3	63.8	-172.8	105.1	174	0	110.3	S34 T35 R126 I127 I132 D223	S34-K52 WeakPolarHBondContact OG-CA 3.3Å; T35-K52 WeakPolarHBondContact O-CB 3.1Å; K52-R126 WeakPolarHBondContact O-CA 3.48Å; K52-I127 HydrophobicContact CG-CG2 4.33Å; K52-I127 PolarHBondContact N-O 2.83Å; K52-I127 PolarHBondContact O-N 2.8Å; K52-I132 HydrophobicContact CD-CD1 3.34Å; K52-I132 HydrophobicContact CG-CD1 3.28Å; K52-D223 PolarHBondContact NZ-O 2.97Å; K52-D223 IonicContact NZ-OD1 2.94Å; K52-D223 PolarHBondContact NZ-OD1 3.1Å
53	W	80.5	Confident	81.6	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.2	174.5	-74.7	96.8	0	0	0	110	L33 S34 L80 C83 L84 F90 F92 T125 R126	L33-W53 HydrophobicContact CB-CB 3.77Å; L33-W53 PolarHBondContact N-O 3.4Å; S34-W53 PolarHBondContact N-O 3.36Å; S34-W53 PolarHBondContact OG-N 3.37Å; W53-L80 HydrophobicContact CB-CD1 4.32Å; W53-L80 HydrophobicContact CD2-CD1 3.71Å; W53-L80 HydrophobicContact CE3-CD1 4.04Å; W53-L80 HydrophobicContact CG-CD1 3.82Å; W53-C83 HydrophobicContact CH2-CB 4.36Å; W53-C83 WeakPolarHBondContact CH2-SG 3.39Å; W53-L84 HydrophobicContact CZ2-CD2 4.48Å; W53-L84 VanDerWaalsContact NE1-CD2 3.33Å; W53-F90 VanDerWaalsContact CH2-O 3.3Å; W53-F90 WeakPolarHBondContact CH2-O 3.18Å; W53-F90 WeakPolarHBondContact CZ3-O 3.05Å; W53-F92 HydrophobicContact CE3-CE1 4.19Å; W53-F92 AromaticContact CZ3-CD1 3.96Å; W53-F92 HydrophobicContact CZ3-CD1 3.96Å; W53-F92 HydrophobicContact CZ3-CE1 4.06Å; W53-T125 VanDerWaalsContact CE3-C 3.48Å; W53-R126 HydrophobicContact CD2-CG 3.77Å; W53-R126 VanDerWaalsContact CE2-CG 3.49Å; W53-R126 HydrophobicContact CE3-CG 4.04Å; W53-R126 HydrophobicContact CG-CG 4.44Å; W53-R126 HydrophobicContact CH2-CG 3.73Å; W53-R126 HydrophobicContact CZ2-CG 3.5Å; W53-R126 HydrophobicContact CZ3-CG 4.03Å; W53-R126 VanDerWaalsContact NE1-NH2 3.16Å
54	I	76.7	Confident	82.5	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.3	170.5	62.6	167.6	0	0	0	109	I30 T31 L32 P111 G124 T125 I127 I132	I30-I54 HydrophobicContact CD1-CD1 4.38Å; I30-I54 HydrophobicContact CG2-CB 3.5Å; I30-I54 VanDerWaalsContact CG2-CB 3.5Å; I30-I54 HydrophobicContact CG2-CD1 3.62Å; I30-I54 HydrophobicContact CG2-CG1 4.03Å; I30-I54 HydrophobicContact CG2-CG2 3.97Å; T31-I54 CarbonylContact O-C 3.44Å; T31-I54 WeakPolarHBondContact O-CA 3.43Å; L32-I54 HydrophobicContact CD2-CG2 3.49Å; L32-I54 VanDerWaalsContact CD2-CG2 3.49Å; I54-P111 HydrophobicContact CD1-CB 3.66Å; I54-P111 HydrophobicContact CD1-CG 3.78Å; I54-G124 CarbonylContact O-C 3.53Å; I54-G124 VanDerWaalsContact O-CA 3.23Å; I54-G124 WeakPolarHBondContact O-CA 3.37Å; I54-T125 HydrophobicContact CD1-CG2 3.84Å; I54-T125 HydrophobicContact CG1-CG2 3.56Å; I54-T125 VanDerWaalsContact CG1-O 3.29Å; I54-T125 WeakPolarHBondContact CG1-O 2.9Å; I54-T125 PolarHBondContact N-O 2.89Å; I54-T125 PolarHBondContact O-N 2.79Å; I54-I127 HydrophobicContact CB-CG2 4.41Å; I54-I127 HydrophobicContact CD1-CB 4.19Å; I54-I127 HydrophobicContact CD1-CD1 4.32Å; I54-I127 HydrophobicContact CD1-CG2 3.92Å; I54-I127 HydrophobicContact CG1-CG2 3.97Å; I54-I127 HydrophobicContact CG2-CG2 3.6Å; I54-I132 HydrophobicContact CG2-CD1 4.3Å
55	G	75.1	Confident	83.1	Confident	8 Å²	8	38.8 Å²	38.8	8%	0.082	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	164	176.9	0	0	0	0	0	109.9	I30 T31 L123	I30-G55 CarbonylContact C-O 3.54Å; I30-G55 WeakPolarHBondContact CA-O 3.48Å; T31-G55 PolarHBondContact N-O 2.97Å; T31-G55 PolarHBondContact O-N 2.85Å; G55-L123 CarbonylContact C-O 3.41Å; G55-L123 WeakPolarHBondContact CA-O 3.33Å
56	G	73.6	Confident	83.7	Confident	13 Å²	13	41.8 Å²	41.8	13%	0.134	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-163.9	175.1	0	0	0	0	0	110.3	D29 L123	D29-G56 WeakPolarHBondContact O-CA 3.45Å; G56-L123 PolarHBondContact N-O 2.86Å; G56-L123 PolarHBondContact O-N 3.28Å
57	W	73	Confident	84.1	Confident	42 Å²	42	45.9 Å²	45.9	16%	0.159	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.5	-175.7	-67	99.2	0	0	0	112.3	Q23 S24 T96 R118 E122	Q23-W57 HydrophobicContact CB-CZ2 4.48Å; Q23-W57 HydrophobicContact CG-CH2 4.33Å; Q23-W57 HydrophobicContact CG-CZ2 4Å; S24-W57 PolarHBondContact O-NE1 2.95Å; W57-T96 HydrophobicContact CE3-CG2 4.46Å; W57-T96 HydrophobicContact CH2-CG2 4.29Å; W57-T96 HydrophobicContact CZ3-CG2 3.52Å; W57-R118 VanDerWaalsContact CB-O 3.29Å; W57-R118 WeakPolarHBondContact CB-O 3.5Å; W57-E122 HydrophobicContact CE3-CG 4.01Å; W57-E122 HydrophobicContact CH2-CG 3.82Å; W57-E122 HydrophobicContact CZ3-CG 3.51Å
58	G	79.2	Confident	84.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	114.6	171.2	172.6	0	0	0	0	0	114.5	Y116 F121	G58-Y116 WeakPolarHBondContact CA-O 3.31Å; G58-F121 PolarHBondContact N-O 2.94Å
59	L	86.4	Confident	85.2	Confident	25 Å²	25	45.8 Å²	45.8	13%	0.131	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-106.3	135.5	-177.1	-169.6	71	0	0	0	108.7	I65 T93 F115 Y116 F121	L59-I65 HydrophobicContact CD1-CD1 4.13Å; L59-I65 HydrophobicContact CD2-CD1 3.77Å; L59-I65 HydrophobicContact CG-CD1 3.8Å; L59-T93 HydrophobicContact CD1-CG2 4.2Å; L59-F115 WeakPolarHBondContact O-CA 3.14Å; L59-Y116 PolarHBondContact N-O 2.9Å; L59-Y116 PolarHBondContact O-N 2.7Å; L59-F121 HydrophobicContact CB-CB 4.36Å; L59-F121 HydrophobicContact CB-CD2 4Å; L59-F121 HydrophobicContact CB-CG 4.13Å; L59-F121 HydrophobicContact CD1-CD1 3.8Å; L59-F121 HydrophobicContact CD1-CD2 4.37Å; L59-F121 HydrophobicContact CD1-CE1 3.97Å; L59-F121 HydrophobicContact CD1-CG 4.01Å; L59-F121 HydrophobicContact CD1-CZ 4.36Å; L59-F121 HydrophobicContact CD2-CD2 4.43Å; L59-F121 HydrophobicContact CD2-CE2 4.17Å; L59-F121 HydrophobicContact CD2-CZ 4.32Å
60	P	87.3	Confident	85.7	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.032	23%	0.232	C	C	.	.			trans	-55	161.9	169.7	-22.7	33.2	0	0	0	111.7	F64 I65 T93 V109 L123	P60-F64 HydrophobicContact CB-CB 3.82Å; P60-F64 HydrophobicContact CB-CD1 3.49Å; P60-F64 VanDerWaalsContact CB-CD1 3.49Å; P60-F64 HydrophobicContact CB-CE1 4.28Å; P60-F64 HydrophobicContact CB-CG 3.77Å; P60-F64 HydrophobicContact CG-CD1 3.85Å; P60-F64 HydrophobicContact CG-CE1 4.2Å; P60-I65 HydrophobicContact CB-CG1 4.42Å; P60-T93 HydrophobicContact CG-CG2 4.49Å; P60-V109 HydrophobicContact CB-CG1 4.38Å; P60-V109 HydrophobicContact CB-CG2 4.28Å; P60-V109 HydrophobicContact CG-CB 4.48Å; P60-V109 HydrophobicContact CG-CG1 4.08Å; P60-V109 HydrophobicContact CG-CG2 3.52Å; P60-L123 HydrophobicContact CG-CD1 4.5Å
61	N	89.1	Confident	86.4	Confident	70 Å²	70	41.3 Å²	41.3	37%	0.374	22%	0.222	S	C	.	.			trans	-63.7	159.6	174.4	71.9	21	0	0	0	111.7	S63 F64 I65 Y116	N61-S63 VanDerWaalsContact C-N 3.27Å; N61-S63 PolarHBondContact O-N 3.4Å; N61-S63 PolarHBondContact OD1-N 2.92Å; N61-F64 WeakPolarHBondContact O-CB 3.19Å; N61-F64 PolarHBondContact O-N 3.33Å; N61-F64 VanDerWaalsContact OD1-CB 3.28Å; N61-F64 WeakPolarHBondContact OD1-CB 3.25Å; N61-F64 PolarHBondContact OD1-N 2.79Å; N61-I65 PolarHBondContact O-N 2.95Å; N61-I65 VanDerWaalsContact O-N 3.15Å; N61-Y116 HydrophobicContact CB-CD2 4.14Å; N61-Y116 HydrophobicContact CB-CE2 3.57Å
62	Q	89.3	Confident	87.1	Confident	114 Å²	114	45.1 Å²	45.1	53%	0.533	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-39.6	-175.6	-169.4	61	44.5	0	0	112.5	F64 I65 D66	Q62-F64 VanDerWaalsContact C-N 3.28Å; Q62-F64 PolarHBondContact O-N 3.02Å; Q62-I65 WeakPolarHBondContact O-CB 3.47Å; Q62-I65 PolarHBondContact O-N 2.03Å; Q62-I65 VanDerWaalsContact O-N 3.11Å; Q62-D66 PolarHBondContact NE2-OD1 2.92Å; Q62-D66 PolarHBondContact O-N 3.31Å
63	S	92	Very high	87.9	Confident	70 Å²	70	46.8 Å²	46.8	49%	0.49	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-37.2	177.4	-178.5	0	0	0	0	112.9	N61 N67	N61-S63 VanDerWaalsContact C-N 3.27Å; N61-S63 PolarHBondContact O-N 3.4Å; N61-S63 PolarHBondContact OD1-N 2.92Å; S63-N67 WeakPolarHBondContact O-CB 3Å; S63-N67 PolarHBondContact O-N 2.85Å; S63-N67 PolarHBondContact O-ND2 2.75Å; S63-N67 PolarHBondContact OG-ND2 3.13Å
64	F	92.5	Very high	88.4	Confident	27 Å²	27	56.9 Å²	56.9	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-44.9	174.8	-174.4	-79.1	0	0	0	111	P60 N61 Q62 N67 Y68 Y105 K107 V109	P60-F64 HydrophobicContact CB-CB 3.82Å; P60-F64 HydrophobicContact CB-CD1 3.49Å; P60-F64 VanDerWaalsContact CB-CD1 3.49Å; P60-F64 HydrophobicContact CB-CE1 4.28Å; P60-F64 HydrophobicContact CB-CG 3.77Å; P60-F64 HydrophobicContact CG-CD1 3.85Å; P60-F64 HydrophobicContact CG-CE1 4.2Å; N61-F64 WeakPolarHBondContact O-CB 3.19Å; N61-F64 PolarHBondContact O-N 3.33Å; N61-F64 VanDerWaalsContact OD1-CB 3.28Å; N61-F64 WeakPolarHBondContact OD1-CB 3.25Å; N61-F64 PolarHBondContact OD1-N 2.79Å; Q62-F64 VanDerWaalsContact C-N 3.28Å; Q62-F64 PolarHBondContact O-N 3.02Å; F64-N67 PolarHBondContact O-N 3.24Å; F64-Y68 HydrophobicContact CB-CD2 4.34Å; F64-Y68 HydrophobicContact CD1-CD2 4.17Å; F64-Y68 AromaticContact CD2-CD2 3.48Å; F64-Y68 HydrophobicContact CD2-CD2 3.48Å; F64-Y68 VanDerWaalsContact CD2-CD2 3.48Å; F64-Y68 AromaticContact CD2-CE2 3.86Å; F64-Y68 HydrophobicContact CD2-CE2 3.86Å; F64-Y68 HydrophobicContact CE1-CD2 4.3Å; F64-Y68 AromaticContact CE2-CD2 3.64Å; F64-Y68 HydrophobicContact CE2-CD2 3.64Å; F64-Y68 HydrophobicContact CE2-CE2 4.14Å; F64-Y68 HydrophobicContact CE2-CG 4.45Å; F64-Y68 AromaticContact CG-CD2 3.75Å; F64-Y68 HydrophobicContact CG-CD2 3.75Å; F64-Y68 HydrophobicContact CG-CE2 4.42Å; F64-Y68 HydrophobicContact CZ-CD2 4.04Å; F64-Y68 HydrophobicContact CZ-CG 4.49Å; F64-Y68 WeakPolarHBondContact O-CB 3.27Å; F64-Y68 WeakPolarHBondContact O-CD2 3.47Å; F64-Y68 PolarHBondContact O-N 2.97Å; F64-Y105 HydrophobicContact CD1-CD1 4.17Å; F64-Y105 HydrophobicContact CD1-CE1 4.43Å; F64-Y105 AromaticContact CE1-CD1 3.81Å; F64-Y105 HydrophobicContact CE1-CD1 3.81Å; F64-Y105 HydrophobicContact CE1-CD2 4.31Å; F64-Y105 HydrophobicContact CE1-CE1 4.41Å; F64-Y105 AromaticContact CE1-CG 3.76Å; F64-Y105 HydrophobicContact CE1-CG 3.76Å; F64-K107 HydrophobicContact CE2-CB 4.13Å; F64-K107 HydrophobicContact CZ-CB 4.04Å; F64-V109 HydrophobicContact CD1-CG2 4.1Å; F64-V109 HydrophobicContact CE1-CG2 3.38Å; F64-V109 HydrophobicContact CE2-CG2 4.01Å; F64-V109 HydrophobicContact CZ-CB 4.23Å; F64-V109 HydrophobicContact CZ-CG2 3.33Å
65	I	92.5	Very high	88.5	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.138	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-50.2	178.3	-61.6	171	0	0	0	109.8	L59 P60 N61 Q62 N67 T69 Y105	L59-I65 HydrophobicContact CD1-CD1 4.13Å; L59-I65 HydrophobicContact CD2-CD1 3.77Å; L59-I65 HydrophobicContact CG-CD1 3.8Å; P60-I65 HydrophobicContact CB-CG1 4.42Å; N61-I65 PolarHBondContact O-N 2.95Å; N61-I65 VanDerWaalsContact O-N 3.15Å; Q62-I65 WeakPolarHBondContact O-CB 3.47Å; Q62-I65 PolarHBondContact O-N 2.03Å; Q62-I65 VanDerWaalsContact O-N 3.11Å; I65-N67 VanDerWaalsContact C-N 3.34Å; I65-N67 PolarHBondContact O-N 2.87Å; I65-T69 VanDerWaalsContact O-CB 3.3Å; I65-T69 WeakPolarHBondContact O-CB 3.44Å; I65-T69 PolarHBondContact O-N 2.91Å; I65-T69 VanDerWaalsContact O-N 3.14Å; I65-T69 PolarHBondContact O-OG1 2.77Å; I65-Y105 HydrophobicContact CG1-CE1 4.29Å
66	D	93.4	Very high	88.5	Confident	110 Å²	110	63.1 Å²	63.1	59%	0.588	34%	0.336	S	S	*	.	H	α-helix	trans	-63	-39.6	-176.2	-64.8	-19.9	0	0	0	112.4	Q62	Q62-D66 PolarHBondContact NE2-OD1 2.92Å; Q62-D66 PolarHBondContact O-N 3.31Å
67	N	95	Very high	88.5	Confident	109 Å²	109	64.7 Å²	64.7	58%	0.583	35%	0.345	S	S	*	.	H	α-helix	trans	-87.6	-25.8	-173.4	-71.4	-37.3	0	0	0	114.2	S63 F64 I65	S63-N67 WeakPolarHBondContact O-CB 3Å; S63-N67 PolarHBondContact O-N 2.85Å; S63-N67 PolarHBondContact O-ND2 2.75Å; S63-N67 PolarHBondContact OG-ND2 3.13Å; F64-N67 PolarHBondContact O-N 3.24Å; I65-N67 VanDerWaalsContact C-N 3.34Å; I65-N67 PolarHBondContact O-N 2.87Å
68	Y	95.7	Very high	88.8	Confident	83 Å²	83	64.5 Å²	64.5	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-123.4	-1	-167.8	-54.7	-57.6	0	0	0	114.9	F64 L70 Y105 S106 K107	F64-Y68 HydrophobicContact CB-CD2 4.34Å; F64-Y68 HydrophobicContact CD1-CD2 4.17Å; F64-Y68 AromaticContact CD2-CD2 3.48Å; F64-Y68 HydrophobicContact CD2-CD2 3.48Å; F64-Y68 VanDerWaalsContact CD2-CD2 3.48Å; F64-Y68 AromaticContact CD2-CE2 3.86Å; F64-Y68 HydrophobicContact CD2-CE2 3.86Å; F64-Y68 HydrophobicContact CE1-CD2 4.3Å; F64-Y68 AromaticContact CE2-CD2 3.64Å; F64-Y68 HydrophobicContact CE2-CD2 3.64Å; F64-Y68 HydrophobicContact CE2-CE2 4.14Å; F64-Y68 HydrophobicContact CE2-CG 4.45Å; F64-Y68 AromaticContact CG-CD2 3.75Å; F64-Y68 HydrophobicContact CG-CD2 3.75Å; F64-Y68 HydrophobicContact CG-CE2 4.42Å; F64-Y68 HydrophobicContact CZ-CD2 4.04Å; F64-Y68 HydrophobicContact CZ-CG 4.49Å; F64-Y68 WeakPolarHBondContact O-CB 3.27Å; F64-Y68 WeakPolarHBondContact O-CD2 3.47Å; F64-Y68 PolarHBondContact O-N 2.97Å; Y68-L70 PolarHBondContact O-N 2.75Å; Y68-Y105 CarbonylContact O-C 3.55Å; Y68-Y105 WeakPolarHBondContact O-CA 3.44Å; Y68-S106 PolarHBondContact O-N 3.31Å; Y68-S106 PolarHBondContact O-OG 3.16Å; Y68-K107 HydrophobicContact CD1-CB 4.07Å; Y68-K107 HydrophobicContact CD1-CG 3.4Å; Y68-K107 HydrophobicContact CD2-CB 4.31Å; Y68-K107 HydrophobicContact CD2-CG 4.36Å; Y68-K107 HydrophobicContact CE1-CG 3.58Å; Y68-K107 HydrophobicContact CE2-CG 4.5Å; Y68-K107 HydrophobicContact CG-CB 3.97Å; Y68-K107 HydrophobicContact CG-CG 3.83Å
69	T	96.4	Very high	89	Confident	54 Å²	54	64.8 Å²	64.8	33%	0.331	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	122	173.1	-63.3	0	0	0	0	110.4	I65 T103	I65-T69 VanDerWaalsContact O-CB 3.3Å; I65-T69 WeakPolarHBondContact O-CB 3.44Å; I65-T69 PolarHBondContact O-N 2.91Å; I65-T69 VanDerWaalsContact O-N 3.14Å; I65-T69 PolarHBondContact O-OG1 2.77Å; T69-T103 HydrophobicContact CG2-CG2 3.91Å
70	L	94.6	Very high	88.9	Confident	61 Å²	61	64 Å²	64	32%	0.319	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-51.8	171.7	-74.6	169	0	0	0	110.9	Y68 L88 C89 L104	Y68-L70 PolarHBondContact O-N 2.75Å; L70-L88 HydrophobicContact CD1-CB 4.14Å; L70-L88 WeakPolarHBondContact CD1-O 3.42Å; L70-L88 HydrophobicContact CD2-CB 4.25Å; L70-C89 HydrophobicContact CD1-CB 4.03Å; L70-L104 HydrophobicContact CB-CB 4.4Å; L70-L104 PolarHBondContact N-O 2.94Å
71	S	95.1	Very high	88.4	Confident	39 Å²	39	67.5 Å²	67.5	27%	0.273	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	158.3	-175.2	59.2	0	0	0	0	111.1	L104	S71-L104 PolarHBondContact O-N 2.93Å
72	V	94.8	Very high	88.2	Confident	82 Å²	82	66.7 Å²	66.7	50%	0.497	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.1	165.7	-179.3	0	0	0	0	106.9	Q101 C102 T103	V72-Q101 HydrophobicContact CG1-CG 3.99Å; V72-C102 CarbonylContact C-O 3.52Å; V72-C102 VanDerWaalsContact CA-O 3.31Å; V72-C102 WeakPolarHBondContact CA-O 3.39Å; V72-T103 HydrophobicContact CG2-CG2 4.2Å
73	V	93	Very high	88.2	Confident	35 Å²	35	61.3 Å²	61.3	21%	0.212	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.8	-176.1	-59.8	0	0	0	0	110.5	E82 C102 L104	V73-E82 HydrophobicContact CG2-CB 4.1Å; V73-E82 HydrophobicContact CG2-CG 4.1Å; V73-C102 HydrophobicContact CG2-CB 3.69Å; V73-C102 PolarHBondContact N-O 3.14Å; V73-C102 PolarHBondContact O-N 2.98Å; V73-L104 HydrophobicContact CG1-CD1 4.45Å; V73-L104 HydrophobicContact CG2-CD1 4.22Å; V73-L104 HydrophobicContact CG2-CG 4.27Å
74	R	90.8	Very high	87.8	Confident	217 Å²	217	62.1 Å²	62.1	82%	0.819	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.5	166.4	-70.9	-175.8	179.1	176.6	0.1	108.3	T100	R74-T100 CarbonylContact C-O 3.59Å; R74-T100 VanDerWaalsContact CA-O 3.28Å; R74-T100 WeakPolarHBondContact CA-O 3.47Å
75	T	78.8	Confident	87.5	Confident	12 Å²	12	64.9 Å²	64.9	7%	0.074	36%	0.355	C	S	.	.			trans	-136.8	147.7	-175.1	-175.8	0	0	0	0	112.1	S77 E82 T100 C102	T75-S77 VanDerWaalsContact C-N 3.35Å; T75-S77 VanDerWaalsContact CG2-O 3.28Å; T75-S77 WeakPolarHBondContact CG2-O 3.43Å; T75-S77 WeakPolarHBondContact OG1-CA 3.31Å; T75-S77 WeakPolarHBondContact OG1-CB 3.45Å; T75-S77 PolarHBondContact OG1-N 3.26Å; T75-S77 PolarHBondContact OG1-OG 3.44Å; T75-S77 VanDerWaalsContact OG1-OG 3.05Å; T75-E82 VanDerWaalsContact CB-OE1 3.3Å; T75-E82 WeakPolarHBondContact CB-OE1 3.46Å; T75-E82 HydrophobicContact CG2-CG 3.63Å; T75-E82 VanDerWaalsContact OG1-CD 3.28Å; T75-E82 PolarHBondContact OG1-OE1 2.71Å; T75-T100 PolarHBondContact N-O 3.35Å; T75-T100 WeakPolarHBondContact O-CB 3.42Å; T75-T100 WeakPolarHBondContact O-CG2 3.49Å; T75-C102 WeakPolarHBondContact CG2-SG 3.15Å
76	S	75.2	Confident	87.3	Confident	131 Å²	131	65.7 Å²	65.7	92%	0.916	36%	0.36	S	S	*	.	S	Bend	trans	-88.6	-7.8	164.2	55.8	0	0	0	0	112.4
77	S	74	Confident	87	Confident	46 Å²	46	64.7 Å²	64.7	32%	0.322	36%	0.36	S	S	.	.	S	Bend	trans	-96.4	-170.5	174.7	93.4	0	0	0	0	110.9	T75 E82	T75-S77 VanDerWaalsContact C-N 3.35Å; T75-S77 VanDerWaalsContact CG2-O 3.28Å; T75-S77 WeakPolarHBondContact CG2-O 3.43Å; T75-S77 WeakPolarHBondContact OG1-CA 3.31Å; T75-S77 WeakPolarHBondContact OG1-CB 3.45Å; T75-S77 PolarHBondContact OG1-N 3.26Å; T75-S77 PolarHBondContact OG1-OG 3.44Å; T75-S77 VanDerWaalsContact OG1-OG 3.05Å; S77-E82 PolarHBondContact OG-OE1 3.46Å
78	S	79.6	Confident	86.8	Confident	37 Å²	37	64.3 Å²	64.3	26%	0.259	36%	0.357	S	S	.	.			trans	-85.1	151.5	175.1	71.3	0	0	0	0	111.2	L80 N81 E82	S78-L80 PolarHBondContact O-N 3.13Å; S78-N81 WeakPolarHBondContact O-CA 3.5Å; S78-N81 WeakPolarHBondContact O-CB 3.36Å; S78-N81 PolarHBondContact O-N 3.32Å; S78-N81 PolarHBondContact OG-N 3.13Å; S78-N81 VanDerWaalsContact OG-N 3.17Å; S78-N81 PolarHBondContact OG-ND2 2.95Å; S78-E82 PolarHBondContact O-N 3.05Å; S78-E82 VanDerWaalsContact O-N 3.1Å
79	C	82.8	Confident	86.6	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.041	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-28.5	174.4	-61.7	0	0	0	0	113.6	C83 F92 S94 C102	C79-C83 VanDerWaalsContact O-CB 3.3Å; C79-C83 WeakPolarHBondContact O-CB 3.5Å; C79-C83 PolarHBondContact O-N 3.06Å; C79-F92 HydrophobicContact CB-CB 4.41Å; C79-F92 HydrophobicContact CB-CD2 3.37Å; C79-F92 HydrophobicContact CB-CE2 3.75Å; C79-F92 HydrophobicContact CB-CG 3.96Å; C79-S94 VanDerWaalsContact SG-CB 3.58Å; C79-C102 WeakPolarHBondContact CA-SG 3.32Å; C79-C102 HydrophobicContact CB-CB 3.62Å; C79-C102 WeakPolarHBondContact CB-SG 3.43Å; C79-C102 VanDerWaalsContact SG-CA 3.56Å; C79-C102 WeakPolarHBondContact SG-CB 3.1Å; C79-C102 CovalentContact SG-SG 2.02Å; C79-C102 PolarHBondContact SG-SG 2.99Å
80	L	83.9	Confident	86.4	Confident	8 Å²	8	58 Å²	58	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-61.3	-45.6	170	177.2	63.3	0	0	0	110.9	Y21 L33 W53 S78 C83 L84 F92	Y21-L80 WeakPolarHBondContact OH-CD2 3.37Å; L33-L80 HydrophobicContact CB-CD2 4.31Å; W53-L80 HydrophobicContact CB-CD1 4.32Å; W53-L80 HydrophobicContact CD2-CD1 3.71Å; W53-L80 HydrophobicContact CE3-CD1 4.04Å; W53-L80 HydrophobicContact CG-CD1 3.82Å; S78-L80 PolarHBondContact O-N 3.13Å; L80-C83 PolarHBondContact O-N 3Å; L80-L84 HydrophobicContact CD1-CD1 4.14Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CG-CD1 3.91Å; L80-L84 HydrophobicContact CG-CG 4.25Å; L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 VanDerWaalsContact O-CG 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 2.53Å; L80-F92 HydrophobicContact CB-CE1 3.76Å; L80-F92 HydrophobicContact CB-CZ 3.79Å; L80-F92 HydrophobicContact CD1-CE1 3.76Å; L80-F92 HydrophobicContact CD1-CZ 4.45Å; L80-F92 HydrophobicContact CG-CE1 4.36Å
81	N	78.2	Confident	86.4	Confident	80 Å²	80	55.1 Å²	55.1	43%	0.428	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-44.4	179.6	-71.8	-13.2	0	0	0	111.6	S78 C83 L84 S85	S78-N81 WeakPolarHBondContact O-CA 3.5Å; S78-N81 WeakPolarHBondContact O-CB 3.36Å; S78-N81 PolarHBondContact O-N 3.32Å; S78-N81 PolarHBondContact OG-N 3.13Å; S78-N81 VanDerWaalsContact OG-N 3.17Å; S78-N81 PolarHBondContact OG-ND2 2.95Å; N81-C83 VanDerWaalsContact C-N 3.26Å; N81-C83 PolarHBondContact O-N 3.16Å; N81-L84 PolarHBondContact O-N 3.31Å; N81-L84 VanDerWaalsContact O-N 3.15Å; N81-S85 PolarHBondContact O-N 2.93Å; N81-S85 PolarHBondContact O-OG 2.81Å
82	E	85.4	Confident	86.3	Confident	53 Å²	53	54 Å²	54	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-37.3	174.3	-63.9	-54.2	142.6	0	0	112.7	V73 T75 S77 S78 S85 N86 L104	V73-E82 HydrophobicContact CG2-CB 4.1Å; V73-E82 HydrophobicContact CG2-CG 4.1Å; T75-E82 VanDerWaalsContact CB-OE1 3.3Å; T75-E82 WeakPolarHBondContact CB-OE1 3.46Å; T75-E82 HydrophobicContact CG2-CG 3.63Å; T75-E82 VanDerWaalsContact OG1-CD 3.28Å; T75-E82 PolarHBondContact OG1-OE1 2.71Å; S77-E82 PolarHBondContact OG-OE1 3.46Å; S78-E82 PolarHBondContact O-N 3.05Å; S78-E82 VanDerWaalsContact O-N 3.1Å; E82-S85 WeakPolarHBondContact CA-OG 3.44Å; E82-S85 PolarHBondContact O-OG 2.88Å; E82-N86 PolarHBondContact O-N 3.17Å; E82-L104 HydrophobicContact CB-CD1 4.41Å; E82-L104 HydrophobicContact CB-CD2 4.49Å
83	C	88.8	Confident	86.1	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-72.7	-37.6	175.9	-168	0	0	0	0	111.8	W53 C79 L80 N81 S85 N86 C89 F92 L104	W53-C83 HydrophobicContact CH2-CB 4.36Å; W53-C83 WeakPolarHBondContact CH2-SG 3.39Å; C79-C83 VanDerWaalsContact O-CB 3.3Å; C79-C83 WeakPolarHBondContact O-CB 3.5Å; C79-C83 PolarHBondContact O-N 3.06Å; L80-C83 PolarHBondContact O-N 3Å; N81-C83 VanDerWaalsContact C-N 3.26Å; N81-C83 PolarHBondContact O-N 3.16Å; C83-S85 VanDerWaalsContact C-N 3.33Å; C83-S85 PolarHBondContact O-N 3.12Å; C83-N86 PolarHBondContact O-N 3.13Å; C83-C89 WeakPolarHBondContact CA-SG 3.16Å; C83-C89 HydrophobicContact CB-CB 4.03Å; C83-C89 WeakPolarHBondContact CB-SG 3.36Å; C83-C89 WeakPolarHBondContact O-CB 3.09Å; C83-C89 WeakPolarHBondContact SG-CB 3.35Å; C83-C89 CovalentContact SG-SG 2.02Å; C83-C89 PolarHBondContact SG-SG 3.34Å; C83-F92 HydrophobicContact CB-CB 4.4Å; C83-F92 HydrophobicContact CB-CD1 3.91Å; C83-L104 HydrophobicContact CB-CD2 4Å
84	L	84.1	Confident	85.8	Confident	88 Å²	88	48.6 Å²	48.6	46%	0.461	27%	0.27	S	S	.	.	H	α-helix	trans	-67.7	-31.7	177.5	-73.5	174.3	0	0	0	112.9	W53 L80 N81 N86	W53-L84 HydrophobicContact CZ2-CD2 4.48Å; W53-L84 VanDerWaalsContact NE1-CD2 3.33Å; L80-L84 HydrophobicContact CD1-CD1 4.14Å; L80-L84 HydrophobicContact CD1-CG 4.06Å; L80-L84 HydrophobicContact CG-CD1 3.91Å; L80-L84 HydrophobicContact CG-CG 4.25Å; L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 VanDerWaalsContact O-CG 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 2.53Å; N81-L84 PolarHBondContact O-N 3.31Å; N81-L84 VanDerWaalsContact O-N 3.15Å; L84-N86 VanDerWaalsContact C-N 3.27Å
85	S	86.1	Confident	85.6	Confident	84 Å²	84	39.1 Å²	39.1	59%	0.587	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.1	174.8	43.2	0	0	0	0	113.3	N81 E82 C83	N81-S85 PolarHBondContact O-N 2.93Å; N81-S85 PolarHBondContact O-OG 2.81Å; E82-S85 WeakPolarHBondContact CA-OG 3.44Å; E82-S85 PolarHBondContact O-OG 2.88Å; C83-S85 VanDerWaalsContact C-N 3.33Å; C83-S85 PolarHBondContact O-N 3.12Å
86	N	87.5	Confident	85.5	Confident	45 Å²	45	41.3 Å²	41.3	24%	0.241	25%	0.25	C	C	.	.	S	Bend	trans	-103.7	110.3	173.5	-173.3	-24.5	0	0	0	111.3	E82 C83 L84 L88 C89	E82-N86 PolarHBondContact O-N 3.17Å; C83-N86 PolarHBondContact O-N 3.13Å; L84-N86 VanDerWaalsContact C-N 3.27Å; N86-L88 PolarHBondContact O-N 3.07Å; N86-L88 WeakPolarHBondContact OD1-CB 3.07Å; N86-L88 PolarHBondContact OD1-N 3.36Å; N86-C89 HydrophobicContact CB-CB 3.93Å; N86-C89 WeakPolarHBondContact O-CB 3.43Å; N86-C89 PolarHBondContact O-N 3.09Å
87	P	86.5	Confident	85.7	Confident	89 Å²	89	41.8 Å²	41.8	58%	0.578	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-11	-176.2	28.1	-36	0	0	0	114.7	N41	N41-P87 PolarHBondContact ND2-O 2.91Å
88	L	90.7	Very high	86.1	Confident	100 Å²	100	41.4 Å²	41.4	52%	0.524	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-7	174.9	-59.2	178.9	0	0	0	112.8	L70 N86 F90 S106	L70-L88 HydrophobicContact CD1-CB 4.14Å; L70-L88 WeakPolarHBondContact CD1-O 3.42Å; L70-L88 HydrophobicContact CD2-CB 4.25Å; N86-L88 PolarHBondContact O-N 3.07Å; N86-L88 WeakPolarHBondContact OD1-CB 3.07Å; N86-L88 PolarHBondContact OD1-N 3.36Å; L88-F90 WeakPolarHBondContact O-CD2 3.39Å; L88-F90 WeakPolarHBondContact O-CE2 3.28Å; L88-S106 WeakPolarHBondContact O-CA 3.25Å
89	C	92.4	Very high	85.9	Confident	3 Å²	3	42 Å²	42	2%	0.02	24%	0.243	C	C	.	.			trans	-86.6	128.3	-175.3	-171.6	0	0	0	0	112.4	L70 C83 N86 S91	L70-C89 HydrophobicContact CD1-CB 4.03Å; C83-C89 WeakPolarHBondContact CA-SG 3.16Å; C83-C89 HydrophobicContact CB-CB 4.03Å; C83-C89 WeakPolarHBondContact CB-SG 3.36Å; C83-C89 WeakPolarHBondContact O-CB 3.09Å; C83-C89 WeakPolarHBondContact SG-CB 3.35Å; C83-C89 CovalentContact SG-SG 2.02Å; C83-C89 PolarHBondContact SG-SG 3.34Å; N86-C89 HydrophobicContact CB-CB 3.93Å; N86-C89 WeakPolarHBondContact O-CB 3.43Å; N86-C89 PolarHBondContact O-N 3.09Å; C89-S91 PolarHBondContact SG-O 3.46Å
90	F	93	Very high	85.8	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.013	26%	0.261	C	S	.	.			trans	-123.7	-16.4	-177.3	-71.7	-93.3	0	0	0	113.5	N41 C42 N45 M46 W53 L88 Y105 S106 K107 R126	N41-F90 HydrophobicContact CB-CZ 4.28Å; C42-F90 HydrophobicContact CB-CE1 4.45Å; N45-F90 HydrophobicContact CB-CD1 4.31Å; N45-F90 HydrophobicContact CB-CD2 4.35Å; N45-F90 HydrophobicContact CB-CE1 4.03Å; N45-F90 HydrophobicContact CB-CE2 4.08Å; N45-F90 HydrophobicContact CB-CG 4.49Å; N45-F90 HydrophobicContact CB-CZ 3.91Å; N45-F90 WeakPolarHBondContact ND2-CE2 3Å; M46-F90 HydrophobicContact CG-CD1 4.29Å; M46-F90 HydrophobicContact CG-CE1 4.43Å; M46-F90 HydrophobicContact SD-CD1 3.92Å; M46-F90 HydrophobicContact SD-CE1 4.22Å; W53-F90 VanDerWaalsContact CH2-O 3.3Å; W53-F90 WeakPolarHBondContact CH2-O 3.18Å; W53-F90 WeakPolarHBondContact CZ3-O 3.05Å; L88-F90 WeakPolarHBondContact O-CD2 3.39Å; L88-F90 WeakPolarHBondContact O-CE2 3.28Å; F90-Y105 PolarHBondContact N-O 3.46Å; F90-S106 WeakPolarHBondContact CD2-O 3.07Å; F90-K107 VanDerWaalsContact CB-C 3.41Å; F90-R126 PolarHBondContact O-N 3.48Å
91	S	93.6	Very high	86.1	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.4	169.4	59.7	0	0	0	0	110.9	C89 Y105 K107 V109 G124	C89-S91 PolarHBondContact SG-O 3.46Å; S91-Y105 PolarHBondContact N-O 3.04Å; S91-Y105 PolarHBondContact O-N 2.65Å; S91-Y105 WeakPolarHBondContact OG-CB 3.33Å; S91-Y105 WeakPolarHBondContact OG-CD2 3.41Å; S91-K107 PolarHBondContact OG-O 3.41Å; S91-V109 WeakPolarHBondContact OG-CG2 3.24Å; S91-G124 CarbonylContact C-O 3.4Å; S91-G124 WeakPolarHBondContact CA-O 3.41Å; S91-G124 WeakPolarHBondContact CB-O 3.22Å
92	F	92.5	Very high	86.8	Confident	14 Å²	14	44.2 Å²	44.2	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.2	175.7	64.4	-94.2	0	0	0	110.5	L33 W53 C79 L80 C83 T103 L104 L123 G124	L33-F92 HydrophobicContact CD1-CZ 4.16Å; W53-F92 HydrophobicContact CE3-CE1 4.19Å; W53-F92 AromaticContact CZ3-CD1 3.96Å; W53-F92 HydrophobicContact CZ3-CD1 3.96Å; W53-F92 HydrophobicContact CZ3-CE1 4.06Å; C79-F92 HydrophobicContact CB-CB 4.41Å; C79-F92 HydrophobicContact CB-CD2 3.37Å; C79-F92 HydrophobicContact CB-CE2 3.75Å; C79-F92 HydrophobicContact CB-CG 3.96Å; L80-F92 HydrophobicContact CB-CE1 3.76Å; L80-F92 HydrophobicContact CB-CZ 3.79Å; L80-F92 HydrophobicContact CD1-CE1 3.76Å; L80-F92 HydrophobicContact CD1-CZ 4.45Å; L80-F92 HydrophobicContact CG-CE1 4.36Å; C83-F92 HydrophobicContact CB-CB 4.4Å; C83-F92 HydrophobicContact CB-CD1 3.91Å; F92-T103 CarbonylContact C-O 3.56Å; F92-T103 WeakPolarHBondContact CA-O 3.45Å; F92-L104 HydrophobicContact CB-CD2 3.69Å; F92-L123 CarbonylContact O-C 3.45Å; F92-L123 WeakPolarHBondContact O-CA 3.49Å; F92-L123 WeakPolarHBondContact O-CD1 3.08Å; F92-G124 PolarHBondContact N-O 3.07Å; F92-G124 PolarHBondContact O-N 2.8Å
93	T	91.6	Very high	87.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148	166.2	51.4	0	0	0	0	111	L59 P60 T103 Y105 E122 L123	L59-T93 HydrophobicContact CD1-CG2 4.2Å; P60-T93 HydrophobicContact CG-CG2 4.49Å; T93-T103 PolarHBondContact N-O 3.24Å; T93-T103 PolarHBondContact O-N 2.87Å; T93-Y105 HydrophobicContact CG2-CE2 3.82Å; T93-Y105 WeakPolarHBondContact OG1-CE2 3.37Å; T93-Y105 PolarHBondContact OG1-OH 2.79Å; T93-E122 CarbonylContact C-O 3.41Å; T93-E122 WeakPolarHBondContact CA-O 3.41Å; T93-E122 WeakPolarHBondContact CB-O 3.41Å; T93-L123 HydrophobicContact CG2-CB 4.17Å; T93-L123 HydrophobicContact CG2-CD1 3.58Å; T93-L123 HydrophobicContact CG2-CG 4.49Å
94	S	87	Confident	87.7	Confident	4 Å²	4	43 Å²	43	3%	0.028	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.9	172.2	40.5	0	0	0	0	110.8	C79 F121 E122	C79-S94 VanDerWaalsContact SG-CB 3.58Å; S94-F121 CarbonylContact O-C 3.4Å; S94-F121 WeakPolarHBondContact O-CA 3.32Å; S94-E122 PolarHBondContact N-O 2.78Å; S94-E122 PolarHBondContact O-N 2.86Å
95	P	85.7	Confident	88.2	Confident	19 Å²	19	38.9 Å²	38.9	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	137	167.3	-17.1	29.7	0	0	0	110.2	D97 S98 P99 Q101 A120 F121	P95-D97 WeakPolarHBondContact CB-OD1 3.48Å; P95-D97 PolarHBondContact O-N 3.49Å; P95-S98 CarbonylContact O-C 3.5Å; P95-S98 PolarHBondContact O-N 3.03Å; P95-S98 VanDerWaalsContact O-N 3.15Å; P95-P99 WeakPolarHBondContact O-CA 3.21Å; P95-P99 VanDerWaalsContact O-N 3.17Å; P95-Q101 WeakPolarHBondContact CD-O 3.16Å; P95-A120 CarbonylContact C-O 3.47Å; P95-A120 VanDerWaalsContact CA-O 3.28Å; P95-A120 WeakPolarHBondContact CA-O 3.42Å; P95-F121 HydrophobicContact CB-CD1 4.48Å; P95-F121 HydrophobicContact CB-CE1 4.18Å; P95-F121 HydrophobicContact CG-CD1 4.32Å; P95-F121 HydrophobicContact CG-CE1 3.8Å
96	T	76.9	Confident	88.6	Confident	57 Å²	57	36.3 Å²	36.3	35%	0.35	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.5	178.7	49.1	0	0	0	0	113	W57 S98 A120 E122	W57-T96 HydrophobicContact CE3-CG2 4.46Å; W57-T96 HydrophobicContact CH2-CG2 4.29Å; W57-T96 HydrophobicContact CZ3-CG2 3.52Å; T96-S98 VanDerWaalsContact C-N 3.35Å; T96-A120 PolarHBondContact N-O 3.3Å; T96-A120 PolarHBondContact OG1-O 3.45Å; T96-E122 HydrophobicContact CG2-CG 4.3Å
97	D	79.1	Confident	88.9	Confident	142 Å²	142	37 Å²	37	76%	0.759	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.9	176.7	61.5	-23.1	0	0	0	112.8	P95	P95-D97 WeakPolarHBondContact CB-OD1 3.48Å; P95-D97 PolarHBondContact O-N 3.49Å
98	S	82.1	Confident	89.1	Confident	38 Å²	38	34.4 Å²	34.4	27%	0.266	19%	0.194	S	C	.	.			trans	-144.5	68.3	177	-158.1	0	0	0	0	111.2	P95 T96 T100 Q101	P95-S98 CarbonylContact O-C 3.5Å; P95-S98 PolarHBondContact O-N 3.03Å; P95-S98 VanDerWaalsContact O-N 3.15Å; T96-S98 VanDerWaalsContact C-N 3.35Å; S98-T100 PolarHBondContact O-N 2.84Å; S98-Q101 PolarHBondContact O-N 3.09Å
99	P	77	Confident	89	Confident	50 Å²	50	30 Å²	30	33%	0.325	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.9	-174.5	27.2	-35.7	0	0	0	113.5	P95 Q101	P95-P99 WeakPolarHBondContact O-CA 3.21Å; P95-P99 VanDerWaalsContact O-N 3.17Å; P99-Q101 VanDerWaalsContact C-N 3.33Å
100	T	80.5	Confident	88.4	Confident	71 Å²	71	34.6 Å²	34.6	44%	0.436	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11	174.7	55.6	0	0	0	0	113	R74 T75 S98	R74-T100 CarbonylContact C-O 3.59Å; R74-T100 VanDerWaalsContact CA-O 3.28Å; R74-T100 WeakPolarHBondContact CA-O 3.47Å; T75-T100 PolarHBondContact N-O 3.35Å; T75-T100 WeakPolarHBondContact O-CB 3.42Å; T75-T100 WeakPolarHBondContact O-CG2 3.49Å; S98-T100 PolarHBondContact O-N 2.84Å
101	Q	90.4	Very high	87.1	Confident	68 Å²	68	35.9 Å²	35.9	32%	0.318	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	108.3	175.3	-174.6	171.6	-4.4	0	0	110.2	V72 P95 S98 P99	V72-Q101 HydrophobicContact CG1-CG 3.99Å; P95-Q101 WeakPolarHBondContact CD-O 3.16Å; S98-Q101 PolarHBondContact O-N 3.09Å; P99-Q101 VanDerWaalsContact C-N 3.33Å
102	C	92.4	Very high	85.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.6	-178.6	-46.8	0	0	0	0	110.1	V72 V73 T75 C79 L104	V72-C102 CarbonylContact C-O 3.52Å; V72-C102 VanDerWaalsContact CA-O 3.31Å; V72-C102 WeakPolarHBondContact CA-O 3.39Å; V73-C102 HydrophobicContact CG2-CB 3.69Å; V73-C102 PolarHBondContact N-O 3.14Å; V73-C102 PolarHBondContact O-N 2.98Å; T75-C102 WeakPolarHBondContact CG2-SG 3.15Å; C79-C102 WeakPolarHBondContact CA-SG 3.32Å; C79-C102 HydrophobicContact CB-CB 3.62Å; C79-C102 WeakPolarHBondContact CB-SG 3.43Å; C79-C102 VanDerWaalsContact SG-CA 3.56Å; C79-C102 WeakPolarHBondContact SG-CB 3.1Å; C79-C102 CovalentContact SG-SG 2.02Å; C79-C102 PolarHBondContact SG-SG 2.99Å; C102-L104 HydrophobicContact CB-CD2 4.09Å
103	T	95.7	Very high	84.6	Confident	24 Å²	24	43.3 Å²	43.3	15%	0.147	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	162.3	-53.8	0	0	0	0	107.7	T69 V72 F92 T93 Y105	T69-T103 HydrophobicContact CG2-CG2 3.91Å; V72-T103 HydrophobicContact CG2-CG2 4.2Å; F92-T103 CarbonylContact C-O 3.56Å; F92-T103 WeakPolarHBondContact CA-O 3.45Å; T93-T103 PolarHBondContact N-O 3.24Å; T93-T103 PolarHBondContact O-N 2.87Å; T103-Y105 HydrophobicContact CG2-CD1 4.41Å; T103-Y105 HydrophobicContact CG2-CE1 3.67Å; T103-Y105 HydrophobicContact CG2-CE2 4.22Å
104	L	96	Very high	83.3	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.5	-179	-56.1	-171.3	0	0	0	109.6	L70 S71 V73 E82 C83 F92 C102	L70-L104 HydrophobicContact CB-CB 4.4Å; L70-L104 PolarHBondContact N-O 2.94Å; S71-L104 PolarHBondContact O-N 2.93Å; V73-L104 HydrophobicContact CG1-CD1 4.45Å; V73-L104 HydrophobicContact CG2-CD1 4.22Å; V73-L104 HydrophobicContact CG2-CG 4.27Å; E82-L104 HydrophobicContact CB-CD1 4.41Å; E82-L104 HydrophobicContact CB-CD2 4.49Å; C83-L104 HydrophobicContact CB-CD2 4Å; F92-L104 HydrophobicContact CB-CD2 3.69Å; C102-L104 HydrophobicContact CB-CD2 4.09Å
105	Y	96	Very high	82.6	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.5	-178.6	-47.6	-86.2	0	0	0	113.2	F64 I65 Y68 F90 S91 T93 T103 K107	F64-Y105 HydrophobicContact CD1-CD1 4.17Å; F64-Y105 HydrophobicContact CD1-CE1 4.43Å; F64-Y105 AromaticContact CE1-CD1 3.81Å; F64-Y105 HydrophobicContact CE1-CD1 3.81Å; F64-Y105 HydrophobicContact CE1-CD2 4.31Å; F64-Y105 HydrophobicContact CE1-CE1 4.41Å; F64-Y105 AromaticContact CE1-CG 3.76Å; F64-Y105 HydrophobicContact CE1-CG 3.76Å; I65-Y105 HydrophobicContact CG1-CE1 4.29Å; Y68-Y105 CarbonylContact O-C 3.55Å; Y68-Y105 WeakPolarHBondContact O-CA 3.44Å; F90-Y105 PolarHBondContact N-O 3.46Å; S91-Y105 PolarHBondContact N-O 3.04Å; S91-Y105 PolarHBondContact O-N 2.65Å; S91-Y105 WeakPolarHBondContact OG-CB 3.33Å; S91-Y105 WeakPolarHBondContact OG-CD2 3.41Å; T93-Y105 HydrophobicContact CG2-CE2 3.82Å; T93-Y105 WeakPolarHBondContact OG1-CE2 3.37Å; T93-Y105 PolarHBondContact OG1-OH 2.79Å; T103-Y105 HydrophobicContact CG2-CD1 4.41Å; T103-Y105 HydrophobicContact CG2-CE1 3.67Å; T103-Y105 HydrophobicContact CG2-CE2 4.22Å; Y105-K107 VanDerWaalsContact C-N 3.33Å
106	S	94.3	Very high	81.9	Confident	30 Å²	30	56.8 Å²	56.8	21%	0.21	31%	0.306	C	S	.	.	S	Bend	trans	-83.2	-6.3	-176.7	62.4	0	0	0	0	114.4	N45 Y68 L88 F90	N45-S106 PolarHBondContact ND2-O 3.16Å; N45-S106 VanDerWaalsContact ND2-O 3.09Å; Y68-S106 PolarHBondContact O-N 3.31Å; Y68-S106 PolarHBondContact O-OG 3.16Å; L88-S106 WeakPolarHBondContact O-CA 3.25Å; F90-S106 WeakPolarHBondContact CD2-O 3.07Å
107	K	93.3	Very high	81.4	Confident	61 Å²	61	58.9 Å²	58.9	27%	0.265	32%	0.315	S	S	.	.	S	Bend	trans	-127.6	152	177.2	-74.1	-65.4	-167.2	178.4	0	110.6	N45 F64 Y68 F90 S91 Y105	N45-K107 HydrophobicContact CB-CD 3.99Å; N45-K107 VanDerWaalsContact OD1-CE 3.27Å; N45-K107 WeakPolarHBondContact OD1-CE 3.26Å; N45-K107 PolarHBondContact OD1-NZ 2.88Å; F64-K107 HydrophobicContact CE2-CB 4.13Å; F64-K107 HydrophobicContact CZ-CB 4.04Å; Y68-K107 HydrophobicContact CD1-CB 4.07Å; Y68-K107 HydrophobicContact CD1-CG 3.4Å; Y68-K107 HydrophobicContact CD2-CB 4.31Å; Y68-K107 HydrophobicContact CD2-CG 4.36Å; Y68-K107 HydrophobicContact CE1-CG 3.58Å; Y68-K107 HydrophobicContact CE2-CG 4.5Å; Y68-K107 HydrophobicContact CG-CB 3.97Å; Y68-K107 HydrophobicContact CG-CG 3.83Å; F90-K107 VanDerWaalsContact CB-C 3.41Å; S91-K107 PolarHBondContact OG-O 3.41Å; Y105-K107 VanDerWaalsContact C-N 3.33Å
108	P	91	Very high	80.6	Confident	33 Å²	33	56.2 Å²	56.2	21%	0.214	29%	0.294	C	S	.	.			trans	-66.5	139.8	165.9	30.7	-35.8	0	0	0	109.3	M46 T125 R126	M46-P108 HydrophobicContact CG-CG 3.98Å; P108-T125 WeakPolarHBondContact CA-OG1 3.14Å; P108-R126 VanDerWaalsContact CB-O 3.23Å; P108-R126 WeakPolarHBondContact CB-O 3.32Å
109	V	88.1	Confident	79.9	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.055	31%	0.308	C	S	.	.			trans	-80	138.5	168.4	-178.8	0	0	0	0	108.9	P60 F64 S91 P111 F115 L123 T125	P60-V109 HydrophobicContact CB-CG1 4.38Å; P60-V109 HydrophobicContact CB-CG2 4.28Å; P60-V109 HydrophobicContact CG-CB 4.48Å; P60-V109 HydrophobicContact CG-CG1 4.08Å; P60-V109 HydrophobicContact CG-CG2 3.52Å; F64-V109 HydrophobicContact CD1-CG2 4.1Å; F64-V109 HydrophobicContact CE1-CG2 3.38Å; F64-V109 HydrophobicContact CE2-CG2 4.01Å; F64-V109 HydrophobicContact CZ-CB 4.23Å; F64-V109 HydrophobicContact CZ-CG2 3.33Å; S91-V109 WeakPolarHBondContact OG-CG2 3.24Å; V109-P111 WeakPolarHBondContact O-CD 3.3Å; V109-F115 HydrophobicContact CG1-CE1 3.45Å; V109-F115 VanDerWaalsContact CG1-CE1 3.45Å; V109-F115 HydrophobicContact CG1-CZ 3.77Å; V109-L123 HydrophobicContact CB-CD1 4.17Å; V109-L123 HydrophobicContact CB-CD2 4.32Å; V109-L123 HydrophobicContact CG1-CD2 4.2Å; V109-L123 HydrophobicContact CG2-CD1 3.86Å; V109-T125 PolarHBondContact N-OG1 2.84Å; V109-T125 WeakPolarHBondContact O-CG2 3.49Å; V109-T125 PolarHBondContact O-OG1 2.8Å; V109-T125 VanDerWaalsContact O-OG1 3.14Å
110	N	79.8	Confident	79.8	Confident	99 Å²	99	58 Å²	58	53%	0.529	31%	0.306	S	S	.	.			trans	-68.2	110.5	172.1	179.5	-2.1	0	0	0	109.7	L112 G113 F115	N110-L112 PolarHBondContact O-N 2.8Å; N110-L112 VanDerWaalsContact O-N 3.14Å; N110-L112 PolarHBondContact OD1-N 2.84Å; N110-G113 PolarHBondContact O-N 2.89Å; N110-F115 WeakPolarHBondContact O-CZ 3.15Å
111	P	66.5	Low	79.9	Confident	29 Å²	29	56.6 Å²	56.6	19%	0.188	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.1	-176.8	32.6	-38.1	0	0	0	113.8	I30 I54 V109 F115 I127	I30-P111 HydrophobicContact CD1-CB 3.78Å; I30-P111 HydrophobicContact CD1-CG 4.39Å; I30-P111 HydrophobicContact CG1-CB 4.42Å; I54-P111 HydrophobicContact CD1-CB 3.66Å; I54-P111 HydrophobicContact CD1-CG 3.78Å; V109-P111 WeakPolarHBondContact O-CD 3.3Å; P111-F115 WeakPolarHBondContact O-CE2 3.48Å; P111-I127 HydrophobicContact CG-CD1 4.21Å
112	L	66.6	Low	79.4	Confident	149 Å²	149	56.1 Å²	56.1	78%	0.78	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-0.8	173.7	-57.5	179.1	0	0	0	112.6	N110	N110-L112 PolarHBondContact O-N 2.8Å; N110-L112 VanDerWaalsContact O-N 3.14Å; N110-L112 PolarHBondContact OD1-N 2.84Å
113	G	66.8	Low	79.1	Confident	22 Å²	22	56.6 Å²	56.6	23%	0.227	29%	0.294	C	S	.	.	S	Bend	trans	-71.7	175.8	-179	0	0	0	0	0	113.6	N110 F115	N110-G113 PolarHBondContact O-N 2.89Å; G113-F115 VanDerWaalsContact O-CD2 3.24Å; G113-F115 WeakPolarHBondContact O-CD2 3.37Å; G113-F115 PolarHBondContact O-N 3.3Å
114	E	64.8	Low	78.6	Confident	154 Å²	154	55.4 Å²	55.4	72%	0.72	29%	0.287	S	S	*	.			trans	-74.3	124.1	169.9	-65.8	-173	162.5	0	0	109.8
115	F	71.7	Confident	78.3	Confident	28 Å²	28	55.4 Å²	55.4	12%	0.123	29%	0.287	C	S	.	.			trans	-114.2	133.4	177.3	-68.4	-77	0	0	0	109.4	L59 V109 N110 P111 G113 R118 L123	L59-F115 WeakPolarHBondContact O-CA 3.14Å; V109-F115 HydrophobicContact CG1-CE1 3.45Å; V109-F115 VanDerWaalsContact CG1-CE1 3.45Å; V109-F115 HydrophobicContact CG1-CZ 3.77Å; N110-F115 WeakPolarHBondContact O-CZ 3.15Å; P111-F115 WeakPolarHBondContact O-CE2 3.48Å; G113-F115 VanDerWaalsContact O-CD2 3.24Å; G113-F115 WeakPolarHBondContact O-CD2 3.37Å; G113-F115 PolarHBondContact O-N 3.3Å; F115-R118 HydrophobicContact CB-CG 3.91Å; F115-L123 HydrophobicContact CD1-CD2 4.24Å; F115-L123 HydrophobicContact CE1-CD2 3.33Å; F115-L123 HydrophobicContact CZ-CD2 3.68Å
116	Y	71.4	Confident	77.9	Confident	124 Å²	124	57.2 Å²	57.2	49%	0.486	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-89.4	159.6	172	-64.2	-91.6	0	0	0	109.7	G58 L59 N61 R118	G58-Y116 WeakPolarHBondContact CA-O 3.31Å; L59-Y116 PolarHBondContact N-O 2.9Å; L59-Y116 PolarHBondContact O-N 2.7Å; N61-Y116 HydrophobicContact CB-CD2 4.14Å; N61-Y116 HydrophobicContact CB-CE2 3.57Å; Y116-R118 VanDerWaalsContact C-N 3.28Å; Y116-R118 PolarHBondContact O-N 2.88Å
117	N	66.1	Low	77.3	Confident	100 Å²	100	56.6 Å²	56.6	54%	0.535	29%	0.288	S	S	.	.			trans	47.5	45.5	170	-63	-15.2	0	0	0	114.8	T119 A120 F121	N117-T119 PolarHBondContact O-N 2.98Å; N117-A120 HydrophobicContact CB-CB 4.36Å; N117-A120 PolarHBondContact O-N 3.37Å; N117-F121 HydrophobicContact CB-CD2 3.95Å; N117-F121 HydrophobicContact CB-CE2 4.24Å
118	R	61.9	Low	76.8	Confident	86 Å²	86	53.9 Å²	53.9	33%	0.325	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	3.2	-176.2	-66	-172	-179.1	-143.4	-3.8	116.2	R27 W57 F115 Y116	R27-R118 PolarHBondContact O-NH1 2.79Å; R27-R118 VanDerWaalsContact O-NH1 3.13Å; W57-R118 VanDerWaalsContact CB-O 3.29Å; W57-R118 WeakPolarHBondContact CB-O 3.5Å; F115-R118 HydrophobicContact CB-CG 3.91Å; Y116-R118 VanDerWaalsContact C-N 3.28Å; Y116-R118 PolarHBondContact O-N 2.88Å
119	T	66.7	Low	76	Confident	92 Å²	92	52.7 Å²	52.7	56%	0.564	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-14.4	177.1	56	0	0	0	0	113	N117	N117-T119 PolarHBondContact O-N 2.98Å
120	A	75.3	Confident	75.2	Confident	35 Å²	35	55.1 Å²	55.1	29%	0.289	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-10.4	-176.7	0	0	0	0	0	112.5	P95 T96 N117	P95-A120 CarbonylContact C-O 3.47Å; P95-A120 VanDerWaalsContact CA-O 3.28Å; P95-A120 WeakPolarHBondContact CA-O 3.42Å; T96-A120 PolarHBondContact N-O 3.3Å; T96-A120 PolarHBondContact OG1-O 3.45Å; N117-A120 HydrophobicContact CB-CB 4.36Å; N117-A120 PolarHBondContact O-N 3.37Å
121	F	83.1	Confident	74.8	Confident	41 Å²	41	55 Å²	55	18%	0.18	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.5	-177.1	-68.6	-91.8	0	0	0	111.3	G58 L59 S94 P95 N117	G58-F121 PolarHBondContact N-O 2.94Å; L59-F121 HydrophobicContact CB-CB 4.36Å; L59-F121 HydrophobicContact CB-CD2 4Å; L59-F121 HydrophobicContact CB-CG 4.13Å; L59-F121 HydrophobicContact CD1-CD1 3.8Å; L59-F121 HydrophobicContact CD1-CD2 4.37Å; L59-F121 HydrophobicContact CD1-CE1 3.97Å; L59-F121 HydrophobicContact CD1-CG 4.01Å; L59-F121 HydrophobicContact CD1-CZ 4.36Å; L59-F121 HydrophobicContact CD2-CD2 4.43Å; L59-F121 HydrophobicContact CD2-CE2 4.17Å; L59-F121 HydrophobicContact CD2-CZ 4.32Å; S94-F121 CarbonylContact O-C 3.4Å; S94-F121 WeakPolarHBondContact O-CA 3.32Å; P95-F121 HydrophobicContact CB-CD1 4.48Å; P95-F121 HydrophobicContact CB-CE1 4.18Å; P95-F121 HydrophobicContact CG-CD1 4.32Å; P95-F121 HydrophobicContact CG-CE1 3.8Å; N117-F121 HydrophobicContact CB-CD2 3.95Å; N117-F121 HydrophobicContact CB-CE2 4.24Å
122	E	80.5	Confident	74.6	Confident	58 Å²	58	53.9 Å²	53.9	27%	0.271	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143.2	160.2	-66.3	178.8	175.9	0	0	108.7	W57 T93 S94 T96	W57-E122 HydrophobicContact CE3-CG 4.01Å; W57-E122 HydrophobicContact CH2-CG 3.82Å; W57-E122 HydrophobicContact CZ3-CG 3.51Å; T93-E122 CarbonylContact C-O 3.41Å; T93-E122 WeakPolarHBondContact CA-O 3.41Å; T93-E122 WeakPolarHBondContact CB-O 3.41Å; S94-E122 PolarHBondContact N-O 2.78Å; S94-E122 PolarHBondContact O-N 2.86Å; T96-E122 HydrophobicContact CG2-CG 4.3Å
123	L	84.7	Confident	73.8	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.3	178.3	170.4	74.5	0	0	0	108.6	G55 G56 P60 F92 T93 V109 F115	G55-L123 CarbonylContact C-O 3.41Å; G55-L123 WeakPolarHBondContact CA-O 3.33Å; G56-L123 PolarHBondContact N-O 2.86Å; G56-L123 PolarHBondContact O-N 3.28Å; P60-L123 HydrophobicContact CG-CD1 4.5Å; F92-L123 CarbonylContact O-C 3.45Å; F92-L123 WeakPolarHBondContact O-CA 3.49Å; F92-L123 WeakPolarHBondContact O-CD1 3.08Å; T93-L123 HydrophobicContact CG2-CB 4.17Å; T93-L123 HydrophobicContact CG2-CD1 3.58Å; T93-L123 HydrophobicContact CG2-CG 4.49Å; V109-L123 HydrophobicContact CB-CD1 4.17Å; V109-L123 HydrophobicContact CB-CD2 4.32Å; V109-L123 HydrophobicContact CG1-CD2 4.2Å; V109-L123 HydrophobicContact CG2-CD1 3.86Å; F115-L123 HydrophobicContact CD1-CD2 4.24Å; F115-L123 HydrophobicContact CE1-CD2 3.33Å; F115-L123 HydrophobicContact CZ-CD2 3.68Å
124	G	86.8	Confident	72.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.7	158.4	0	0	0	0	0	110.6	I54 S91 F92	I54-G124 CarbonylContact O-C 3.53Å; I54-G124 VanDerWaalsContact O-CA 3.23Å; I54-G124 WeakPolarHBondContact O-CA 3.37Å; S91-G124 CarbonylContact C-O 3.4Å; S91-G124 WeakPolarHBondContact CA-O 3.41Å; S91-G124 WeakPolarHBondContact CB-O 3.22Å; F92-G124 PolarHBondContact N-O 3.07Å; F92-G124 PolarHBondContact O-N 2.8Å
125	T	89.4	Confident	72.1	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150.2	178.5	-174.6	0	0	0	0	111.3	W53 I54 P108 V109	W53-T125 VanDerWaalsContact CE3-C 3.48Å; I54-T125 HydrophobicContact CD1-CG2 3.84Å; I54-T125 HydrophobicContact CG1-CG2 3.56Å; I54-T125 VanDerWaalsContact CG1-O 3.29Å; I54-T125 WeakPolarHBondContact CG1-O 2.9Å; I54-T125 PolarHBondContact N-O 2.89Å; I54-T125 PolarHBondContact O-N 2.79Å; P108-T125 WeakPolarHBondContact CA-OG1 3.14Å; V109-T125 PolarHBondContact N-OG1 2.84Å; V109-T125 WeakPolarHBondContact O-CG2 3.49Å; V109-T125 PolarHBondContact O-OG1 2.8Å; V109-T125 VanDerWaalsContact O-OG1 3.14Å
126	R	87.3	Confident	71.3	Confident	39 Å²	39	52.8 Å²	52.8	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	146.2	169	-70.6	-175.6	177.8	-86.3	-0.8	110.7	M46 S51 K52 W53 F90 P108	M46-R126 HydrophobicContact CE-CB 3.94Å; M46-R126 HydrophobicContact SD-CB 3.7Å; S51-R126 PolarHBondContact OG-NH1 3.36Å; K52-R126 WeakPolarHBondContact O-CA 3.48Å; W53-R126 HydrophobicContact CD2-CG 3.77Å; W53-R126 VanDerWaalsContact CE2-CG 3.49Å; W53-R126 HydrophobicContact CE3-CG 4.04Å; W53-R126 HydrophobicContact CG-CG 4.44Å; W53-R126 HydrophobicContact CH2-CG 3.73Å; W53-R126 HydrophobicContact CZ2-CG 3.5Å; W53-R126 HydrophobicContact CZ3-CG 4.03Å; W53-R126 VanDerWaalsContact NE1-NH2 3.16Å; F90-R126 PolarHBondContact O-N 3.48Å; P108-R126 VanDerWaalsContact CB-O 3.23Å; P108-R126 WeakPolarHBondContact CB-O 3.32Å
127	I	81.9	Confident	70.5	Confident	17 Å²	17	47.6 Å²	47.6	9%	0.087	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.6	171.8	-176.5	169.6	0	0	0	109.6	S51 K52 I54 P111 C129 D131 I132 I135	S51-I127 VanDerWaalsContact CA-O 3.22Å; S51-I127 WeakPolarHBondContact CA-O 3.43Å; S51-I127 WeakPolarHBondContact CB-O 3.33Å; K52-I127 HydrophobicContact CG-CG2 4.33Å; K52-I127 PolarHBondContact N-O 2.83Å; K52-I127 PolarHBondContact O-N 2.8Å; I54-I127 HydrophobicContact CB-CG2 4.41Å; I54-I127 HydrophobicContact CD1-CB 4.19Å; I54-I127 HydrophobicContact CD1-CD1 4.32Å; I54-I127 HydrophobicContact CD1-CG2 3.92Å; I54-I127 HydrophobicContact CG1-CG2 3.97Å; I54-I127 HydrophobicContact CG2-CG2 3.6Å; P111-I127 HydrophobicContact CG-CD1 4.21Å; I127-C129 PolarHBondContact O-N 2.68Å; I127-D131 HydrophobicContact CD1-CB 4.1Å; I127-D131 HydrophobicContact CG1-CB 4.03Å; I127-I132 HydrophobicContact CD1-CG1 3.99Å; I127-I132 HydrophobicContact CG1-CG1 4.31Å; I127-I132 HydrophobicContact CG2-CD1 3.32Å; I127-I132 HydrophobicContact CG2-CG1 3.89Å; I127-I135 HydrophobicContact CD1-CD1 4.47Å
128	C	82.6	Confident	70.1	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.034	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.7	175.4	-66.6	0	0	0	0	110.4	C48 A130 D131	C48-C128 HydrophobicContact CB-CB 3.63Å; C48-C128 WeakPolarHBondContact CB-SG 3.29Å; C48-C128 WeakPolarHBondContact SG-CA 3.37Å; C48-C128 WeakPolarHBondContact SG-CB 3.49Å; C48-C128 CovalentContact SG-SG 2.03Å; C48-C128 PolarHBondContact SG-SG 2.73Å; C128-A130 PolarHBondContact O-N 3.43Å; C128-A130 VanDerWaalsContact O-N 3.16Å; C128-D131 HydrophobicContact CB-CB 4.46Å; C128-D131 WeakPolarHBondContact CB-OD2 3.41Å; C128-D131 WeakPolarHBondContact O-CB 3.43Å; C128-D131 PolarHBondContact O-N 2.84Å
129	C	74.6	Confident	69.8	Low	8 Å²	8	44.1 Å²	44.1	5%	0.054	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60	-32.5	-178.2	-57.4	0	0	0	0	112.4	C36 Y50 I127 D131 I132	C36-C129 WeakPolarHBondContact CA-SG 3.42Å; C36-C129 HydrophobicContact CB-CB 3.93Å; C36-C129 WeakPolarHBondContact CB-SG 3.29Å; C36-C129 WeakPolarHBondContact SG-CB 3.39Å; C36-C129 CovalentContact SG-SG 2.02Å; C36-C129 PolarHBondContact SG-SG 3.1Å; Y50-C129 PolarHBondContact O-N 2.78Å; Y50-C129 VanDerWaalsContact O-N 3.07Å; Y50-C129 PolarHBondContact O-SG 2.01Å; Y50-C129 VanDerWaalsContact O-SG 3.35Å; I127-C129 PolarHBondContact O-N 2.68Å; C129-D131 VanDerWaalsContact C-N 3.25Å; C129-D131 PolarHBondContact O-N 2.92Å; C129-I132 PolarHBondContact O-N 2.87Å
130	A	70.8	Confident	69.1	Low	59 Å²	59	40.1 Å²	40.1	49%	0.488	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-64.9	-27.8	177.2	0	0	0	0	0	113.4	C128 I132 K133	C128-A130 PolarHBondContact O-N 3.43Å; C128-A130 VanDerWaalsContact O-N 3.16Å; A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.14Å; A130-K133 WeakPolarHBondContact O-CD 3.46Å; A130-K133 VanDerWaalsContact O-CG 3.29Å; A130-K133 WeakPolarHBondContact O-CG 3.46Å
131	D	70.3	Confident	68.1	Low	96 Å²	96	42.4 Å²	42.4	51%	0.513	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-78.4	-15.9	-178.3	-60.3	-16.1	0	0	0	111.9	I127 C128 C129 K133	I127-D131 HydrophobicContact CD1-CB 4.1Å; I127-D131 HydrophobicContact CG1-CB 4.03Å; C128-D131 HydrophobicContact CB-CB 4.46Å; C128-D131 WeakPolarHBondContact CB-OD2 3.41Å; C128-D131 WeakPolarHBondContact O-CB 3.43Å; C128-D131 PolarHBondContact O-N 2.84Å; C129-D131 VanDerWaalsContact C-N 3.25Å; C129-D131 PolarHBondContact O-N 2.92Å; D131-K133 VanDerWaalsContact C-N 3.32Å
132	I	62.7	Low	67.4	Low	7 Å²	7	43.8 Å²	43.8	4%	0.036	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-85.7	-5.7	-179.3	-64.7	164.7	0	0	0	112.4	K52 I54 I127 C129 A130 N134 I135 P163	K52-I132 HydrophobicContact CD-CD1 3.34Å; K52-I132 HydrophobicContact CG-CD1 3.28Å; I54-I132 HydrophobicContact CG2-CD1 4.3Å; I127-I132 HydrophobicContact CD1-CG1 3.99Å; I127-I132 HydrophobicContact CG1-CG1 4.31Å; I127-I132 HydrophobicContact CG2-CD1 3.32Å; I127-I132 HydrophobicContact CG2-CG1 3.89Å; C129-I132 PolarHBondContact O-N 2.87Å; A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.14Å; I132-N134 PolarHBondContact O-N 2.81Å; I132-I135 HydrophobicContact CG1-CD1 4.31Å; I132-I135 HydrophobicContact CG2-CB 4.41Å; I132-I135 PolarHBondContact O-N 3.16Å; I132-P163 HydrophobicContact CG2-CG 4.3Å
133	K	50.3	Low	66.8	Low	143 Å²	143	43.8 Å²	43.8	62%	0.622	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-14	-171.5	-74.5	179.7	176.6	-177.1	0	115.3	A130 D131	A130-K133 WeakPolarHBondContact O-CD 3.46Å; A130-K133 VanDerWaalsContact O-CG 3.29Å; A130-K133 WeakPolarHBondContact O-CG 3.46Å; D131-K133 VanDerWaalsContact C-N 3.32Å
134	N	47	Very low	66.5	Low	125 Å²	125	48.2 Å²	48.2	67%	0.668	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	8.6	177.2	-68.6	-44.7	0	0	0	115.8	I132 G136	I132-N134 PolarHBondContact O-N 2.81Å; N134-G136 PolarHBondContact O-N 3.49Å
135	I	49.9	Very low	65.9	Low	46 Å²	46	48.4 Å²	48.4	24%	0.236	28%	0.275	C	S	.	.			trans	-89.3	95	-177.4	-51.4	179.2	0	0	0	109.2	I127 I132 N137	I127-I135 HydrophobicContact CD1-CD1 4.47Å; I132-I135 HydrophobicContact CG1-CD1 4.31Å; I132-I135 HydrophobicContact CG2-CB 4.41Å; I132-I135 PolarHBondContact O-N 3.16Å; I135-N137 WeakPolarHBondContact CG2-OD1 3.26Å
136	G	53.2	Low	65.1	Low	15 Å²	15	53.2 Å²	53.2	16%	0.155	31%	0.306	C	S	.	.			trans	-86.2	115.4	156.5	0	0	0	0	0	108.4	N134 I138 V161	N134-G136 PolarHBondContact O-N 3.49Å; G136-I138 PolarHBondContact O-N 3.07Å; G136-V161 WeakPolarHBondContact CA-O 3.47Å
137	N	55	Low	64.4	Low	15 Å²	15	55.2 Å²	55.2	8%	0.08	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.9	179	-64.6	-46	0	0	0	109.1	I30 I135 I139 V160 V161	I30-N137 PolarHBondContact O-ND2 3.33Å; I30-N137 PolarHBondContact O-OD1 3.32Å; I135-N137 WeakPolarHBondContact CG2-OD1 3.26Å; N137-I139 HydrophobicContact CB-CG2 4.4Å; N137-I139 PolarHBondContact O-N 3.01Å; N137-V160 CarbonylContact O-C 3.44Å; N137-V160 WeakPolarHBondContact O-CA 3.28Å; N137-V161 PolarHBondContact N-O 3.32Å; N137-V161 VanDerWaalsContact N-O 3.16Å; N137-V161 PolarHBondContact O-N 3.43Å
138	I	57.2	Low	64	Low	75 Å²	75	54.4 Å²	54.4	39%	0.385	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	122.7	168.7	-54.8	-171.8	0	0	0	106.4	G136 S140 Y158 Y159	G136-I138 PolarHBondContact O-N 3.07Å; I138-S140 WeakPolarHBondContact CG2-O 3.3Å; I138-Y158 HydrophobicContact CB-CD2 4.19Å; I138-Y158 HydrophobicContact CB-CE2 4.44Å; I138-Y158 HydrophobicContact CD1-CD2 4.19Å; I138-Y158 HydrophobicContact CD1-CE2 3.85Å; I138-Y158 HydrophobicContact CG1-CD2 3.87Å; I138-Y158 HydrophobicContact CG1-CE2 3.64Å; I138-Y158 HydrophobicContact CG2-CD2 3.73Å; I138-Y158 HydrophobicContact CG2-CE2 4.39Å; I138-Y158 HydrophobicContact CG2-CG 4.37Å; I138-Y159 CarbonylContact C-O 3.6Å; I138-Y159 WeakPolarHBondContact CA-O 3.32Å
139	I	56.2	Low	63	Low	39 Å²	39	58 Å²	58	20%	0.2	34%	0.338	C	S	.	.			trans	-119.5	-3.7	-179.4	57.8	158.3	0	0	0	113.1	N137 Y159 V161 A186 F198	N137-I139 HydrophobicContact CB-CG2 4.4Å; N137-I139 PolarHBondContact O-N 3.01Å; I139-Y159 PolarHBondContact N-O 3.25Å; I139-V161 HydrophobicContact CD1-CG2 3.51Å; I139-V161 HydrophobicContact CG1-CG2 3.99Å; I139-V161 HydrophobicContact CG2-CG2 3.92Å; I139-A186 HydrophobicContact CD1-CB 3.29Å; I139-A186 HydrophobicContact CG1-CB 4.43Å; I139-F198 HydrophobicContact CD1-CE1 4.2Å; I139-F198 HydrophobicContact CD1-CZ 3.69Å
140	S	51.5	Low	62.7	Low	7 Å²	7	66.9 Å²	66.9	5%	0.049	38%	0.376	C	S	.	.	S	Bend	trans	-139.2	152.1	177	77.1	0	0	0	0	110.9	I138 Y158 Y159 E190	I138-S140 WeakPolarHBondContact CG2-O 3.3Å; S140-Y158 WeakPolarHBondContact O-CB 3.18Å; S140-Y159 PolarHBondContact OG-N 3.28Å; S140-E190 WeakPolarHBondContact CB-OE1 3.06Å; S140-E190 PolarHBondContact OG-OE1 2.76Å
141	P	55.6	Low	62.7	Low	83 Å²	83	69 Å²	69	54%	0.539	38%	0.378	S	S	.	.			trans	-65.4	169.7	172.1	29.1	-34.5	0	0	0	110.9	L143	P141-L143 HydrophobicContact CG-CD2 4.13Å; P141-L143 HydrophobicContact CG-CG 4.15Å; P141-L143 PolarHBondContact O-N 2.02Å; P141-L143 VanDerWaalsContact O-N 3.09Å
142	C	68.3	Low	62.7	Low	70 Å²	70	65.7 Å²	65.7	47%	0.473	36%	0.36	S	S	.	.			trans	-65.2	110.4	169.3	-79.9	0	0	0	0	110.6	T157 C235	C142-T157 WeakPolarHBondContact CA-O 3.19Å; C142-C235 WeakPolarHBondContact CA-SG 3.16Å; C142-C235 HydrophobicContact CB-CB 4Å; C142-C235 WeakPolarHBondContact CB-SG 3.2Å; C142-C235 WeakPolarHBondContact SG-CB 2.99Å; C142-C235 CovalentContact SG-SG 2.02Å; C142-C235 PolarHBondContact SG-SG 2.03Å
143	L	68.2	Low	63.4	Low	59 Å²	59	71.3 Å²	71.3	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148	-179.6	-66.1	175.1	0	0	0	111.2	P141 C145 Q156 T157 E190	P141-L143 HydrophobicContact CG-CD2 4.13Å; P141-L143 HydrophobicContact CG-CG 4.15Å; P141-L143 PolarHBondContact O-N 2.02Å; P141-L143 VanDerWaalsContact O-N 3.09Å; L143-C145 PolarHBondContact O-N 3.01Å; L143-Q156 WeakPolarHBondContact O-CA 3.43Å; L143-T157 PolarHBondContact N-O 3.35Å; L143-T157 PolarHBondContact O-N 3.19Å; L143-E190 WeakPolarHBondContact CD1-OE1 3.46Å; L143-E190 WeakPolarHBondContact CD1-OE2 2.97Å
144	P	77	Confident	64.5	Low	101 Å²	101	65.4 Å²	65.4	66%	0.656	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	134.6	172.2	-23.1	33.7	0	0	0	111.6	N155	P144-N155 CarbonylContact C-O 3.54Å; P144-N155 WeakPolarHBondContact CA-O 3.01Å
145	C	75.7	Confident	65.9	Low	4 Å²	4	64.7 Å²	64.7	3%	0.027	36%	0.359	C	S	.	.			trans	-128.2	88.9	173.4	-174.5	0	0	0	0	110.4	L143 N147 C148 N155 T157	L143-C145 PolarHBondContact O-N 3.01Å; C145-N147 VanDerWaalsContact C-N 3.27Å; C145-N147 PolarHBondContact O-N 2.92Å; C145-C148 HydrophobicContact CB-CB 3.56Å; C145-C148 WeakPolarHBondContact CB-SG 3.29Å; C145-C148 WeakPolarHBondContact O-CB 3.29Å; C145-C148 PolarHBondContact O-N 2.65Å; C145-C148 VanDerWaalsContact O-N 3.15Å; C145-C148 WeakPolarHBondContact SG-CB 3.2Å; C145-C148 PolarHBondContact SG-N 3.24Å; C145-C148 VanDerWaalsContact SG-N 3.38Å; C145-C148 CovalentContact SG-SG 2.01Å; C145-C148 PolarHBondContact SG-SG 2.88Å; C145-N155 PolarHBondContact N-O 2.81Å; C145-T157 HydrophobicContact CB-CG2 3.95Å; C145-T157 WeakPolarHBondContact CB-OG1 3.24Å
146	P	70.7	Confident	67.2	Low	104 Å²	104	67.1 Å²	67.1	68%	0.675	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-61.8	-35.1	-175.5	20.4	-29.5	0	0	0	112.8	T149	P146-T149 PolarHBondContact O-OG1 3.15Å; P146-T149 VanDerWaalsContact O-OG1 3.1Å
147	N	73.3	Confident	68.2	Low	81 Å²	81	66.6 Å²	66.6	43%	0.433	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-83.3	-9.2	-179.9	-67.4	-16.9	0	0	0	114	C145 T149 P193	C145-N147 VanDerWaalsContact C-N 3.27Å; C145-N147 PolarHBondContact O-N 2.92Å; N147-T149 VanDerWaalsContact C-N 3.26Å; N147-T149 PolarHBondContact O-N 2.83Å; N147-P193 PolarHBondContact ND2-O 3.01Å
148	C	72.9	Confident	68.9	Low	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-74.3	-17.3	-179.4	-73	0	0	0	0	113	C145 K150 L151 M152 Q153 C154 T157	C145-C148 HydrophobicContact CB-CB 3.56Å; C145-C148 WeakPolarHBondContact CB-SG 3.29Å; C145-C148 WeakPolarHBondContact O-CB 3.29Å; C145-C148 PolarHBondContact O-N 2.65Å; C145-C148 VanDerWaalsContact O-N 3.15Å; C145-C148 WeakPolarHBondContact SG-CB 3.2Å; C145-C148 PolarHBondContact SG-N 3.24Å; C145-C148 VanDerWaalsContact SG-N 3.38Å; C145-C148 CovalentContact SG-SG 2.01Å; C145-C148 PolarHBondContact SG-SG 2.88Å; C148-K150 PolarHBondContact O-N 3.29Å; C148-L151 PolarHBondContact O-N 3.47Å; C148-L151 VanDerWaalsContact O-N 3.14Å; C148-M152 HydrophobicContact CB-CB 4.31Å; C148-M152 HydrophobicContact CB-SD 4.26Å; C148-M152 PolarHBondContact O-N 3.25Å; C148-Q153 PolarHBondContact O-N 3.15Å; C148-C154 WeakPolarHBondContact CB-O 3.37Å; C148-T157 HydrophobicContact CB-CG2 4.2Å
149	T	62	Low	69.7	Low	82 Å²	82	62.9 Å²	62.9	50%	0.503	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.8	-176.6	47.7	0	0	0	0	113.3	P146 N147	P146-T149 PolarHBondContact O-OG1 3.15Å; P146-T149 VanDerWaalsContact O-OG1 3.1Å; N147-T149 VanDerWaalsContact C-N 3.26Å; N147-T149 PolarHBondContact O-N 2.83Å
150	K	69.5	Low	70.4	Confident	194 Å²	194	61.1 Å²	61.1	84%	0.843	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-75.4	-32.4	177.4	-68.7	-173.5	179.9	-179	0	114.1	C148	C148-K150 PolarHBondContact O-N 3.29Å
151	L	70.3	Confident	71.5	Confident	104 Å²	104	61 Å²	61	55%	0.545	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-34.1	-168.8	-69.2	168.3	0	0	0	113.5	C148 L196 V214	C148-L151 PolarHBondContact O-N 3.47Å; C148-L151 VanDerWaalsContact O-N 3.14Å; L151-L196 HydrophobicContact CB-CD1 4.44Å; L151-L196 HydrophobicContact CD1-CD1 3.45Å; L151-L196 VanDerWaalsContact CD1-CD1 3.45Å; L151-V214 HydrophobicContact CB-CG2 3.78Å; L151-V214 HydrophobicContact CD1-CG2 4.48Å
152	M	70.4	Confident	72.2	Confident	25 Å²	25	58.2 Å²	58.2	12%	0.123	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-10.4	-175.1	-59.8	178.6	66.8	0	0	113.3	C148 C154 T157 V214 K232 C234	C148-M152 HydrophobicContact CB-CB 4.31Å; C148-M152 HydrophobicContact CB-SD 4.26Å; C148-M152 PolarHBondContact O-N 3.25Å; M152-C154 PolarHBondContact O-N 3.04Å; M152-T157 HydrophobicContact CE-CG2 4.01Å; M152-T157 HydrophobicContact SD-CG2 4.16Å; M152-V214 HydrophobicContact CE-CG1 4.3Å; M152-V214 HydrophobicContact CG-CB 4.37Å; M152-V214 HydrophobicContact CG-CG1 3.9Å; M152-V214 HydrophobicContact CG-CG2 3.47Å; M152-V214 VanDerWaalsContact CG-CG2 3.47Å; M152-V214 HydrophobicContact SD-CG1 4.04Å; M152-V214 HydrophobicContact SD-CG2 3.99Å; M152-K232 VanDerWaalsContact CE-C 3.42Å; M152-K232 HydrophobicContact CE-CB 4.17Å; M152-K232 WeakPolarHBondContact CE-O 3.38Å; M152-K232 HydrophobicContact SD-CB 3.94Å; M152-C234 PolarHBondContact O-SG 2.84Å
153	Q	77	Confident	72.2	Confident	125 Å²	125	55.4 Å²	55.4	58%	0.584	29%	0.293	S	S	*	.	S	Bend	trans	55	35.3	-178.9	-56.9	-179.7	-9.7	0	0	113.3	C148	C148-Q153 PolarHBondContact O-N 3.15Å
154	C	74.2	Confident	72.5	Confident	19 Å²	19	52.6 Å²	52.6	13%	0.128	28%	0.278	C	S	.	.			trans	-141.5	154.1	174	58.3	0	0	0	0	110.4	C148 M152 C234	C148-C154 WeakPolarHBondContact CB-O 3.37Å; M152-C154 PolarHBondContact O-N 3.04Å; C154-C234 HydrophobicContact CB-CB 3.59Å; C154-C234 WeakPolarHBondContact CB-SG 3.27Å; C154-C234 WeakPolarHBondContact SG-CA 2.94Å; C154-C234 WeakPolarHBondContact SG-CB 3.29Å; C154-C234 CovalentContact SG-SG 2.04Å; C154-C234 PolarHBondContact SG-SG 2.89Å
155	N	76.3	Confident	72.5	Confident	111 Å²	111	49.7 Å²	49.7	59%	0.594	26%	0.257	S	S	*	.	S	Bend	trans	-103.7	-10.8	-179	63.4	-8.1	0	0	0	113.1	P144 C145	P144-N155 CarbonylContact C-O 3.54Å; P144-N155 WeakPolarHBondContact CA-O 3.01Å; C145-N155 PolarHBondContact N-O 2.81Å
156	Q	76.5	Confident	72.7	Confident	96 Å²	96	49.7 Å²	49.7	45%	0.449	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.7	176.1	-69.7	-174.8	-29	0	0	109.6	L143 C235	L143-Q156 WeakPolarHBondContact O-CA 3.43Å; Q156-C235 HydrophobicContact CB-CB 3.78Å; Q156-C235 WeakPolarHBondContact O-CB 3.45Å; Q156-C235 PolarHBondContact O-N 3.47Å
157	T	75.1	Confident	73.2	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.8	-177.7	57.8	0	0	0	0	112	C142 L143 C145 C148 M152 K232 V233 C235	C142-T157 WeakPolarHBondContact CA-O 3.19Å; L143-T157 PolarHBondContact N-O 3.35Å; L143-T157 PolarHBondContact O-N 3.19Å; C145-T157 HydrophobicContact CB-CG2 3.95Å; C145-T157 WeakPolarHBondContact CB-OG1 3.24Å; C148-T157 HydrophobicContact CB-CG2 4.2Å; M152-T157 HydrophobicContact CE-CG2 4.01Å; M152-T157 HydrophobicContact SD-CG2 4.16Å; T157-K232 HydrophobicContact CG2-CB 4.33Å; T157-V233 CarbonylContact C-O 3.49Å; T157-V233 WeakPolarHBondContact CA-O 3.3Å; T157-V233 VanDerWaalsContact CB-O 3.3Å; T157-V233 WeakPolarHBondContact CB-O 3.38Å; T157-C235 VanDerWaalsContact C-SG 3.53Å
158	Y	69.4	Low	73.7	Confident	10 Å²	10	49.3 Å²	49.3	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.5	168.4	62.7	-81	0	0	0	109.1	I138 S140 V160 K232 V233 C234 S238	I138-Y158 HydrophobicContact CB-CD2 4.19Å; I138-Y158 HydrophobicContact CB-CE2 4.44Å; I138-Y158 HydrophobicContact CD1-CD2 4.19Å; I138-Y158 HydrophobicContact CD1-CE2 3.85Å; I138-Y158 HydrophobicContact CG1-CD2 3.87Å; I138-Y158 HydrophobicContact CG1-CE2 3.64Å; I138-Y158 HydrophobicContact CG2-CD2 3.73Å; I138-Y158 HydrophobicContact CG2-CE2 4.39Å; I138-Y158 HydrophobicContact CG2-CG 4.37Å; S140-Y158 WeakPolarHBondContact O-CB 3.18Å; Y158-V160 HydrophobicContact CD2-CG1 3.67Å; Y158-V160 HydrophobicContact CE2-CG1 3.2Å; Y158-K232 CarbonylContact O-C 3.51Å; Y158-K232 WeakPolarHBondContact O-CA 3.27Å; Y158-V233 HydrophobicContact CD1-CB 4.45Å; Y158-V233 WeakPolarHBondContact CD1-O 2.97Å; Y158-V233 HydrophobicContact CE1-CB 4Å; Y158-V233 HydrophobicContact CE1-CG1 3.93Å; Y158-V233 HydrophobicContact CE2-CB 4.21Å; Y158-V233 PolarHBondContact N-O 2.98Å; Y158-V233 PolarHBondContact O-N 3.13Å; Y158-C234 WeakPolarHBondContact CE1-O 2.95Å; Y158-S238 WeakPolarHBondContact OH-CB 3.3Å
159	Y	73.8	Confident	74.3	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.3	172.9	-79.3	-88.9	0	0	0	111.2	I138 I139 S140 C189 E190 F198 G231 K232	I138-Y159 CarbonylContact C-O 3.6Å; I138-Y159 WeakPolarHBondContact CA-O 3.32Å; I139-Y159 PolarHBondContact N-O 3.25Å; S140-Y159 PolarHBondContact OG-N 3.28Å; Y159-C189 HydrophobicContact CE1-CB 4.27Å; Y159-C189 WeakPolarHBondContact OH-CB 3.43Å; Y159-C189 PolarHBondContact OH-SG 2.61Å; Y159-E190 HydrophobicContact CD2-CG 4.14Å; Y159-E190 WeakPolarHBondContact CD2-OE1 3.46Å; Y159-E190 HydrophobicContact CE2-CG 3.38Å; Y159-F198 AromaticContact CD1-CD1 3.93Å; Y159-F198 HydrophobicContact CD1-CD1 3.93Å; Y159-F198 AromaticContact CD1-CE1 3.44Å; Y159-F198 HydrophobicContact CD1-CE1 3.44Å; Y159-F198 VanDerWaalsContact CD1-CE1 3.44Å; Y159-F198 AromaticContact CE1-CD1 3.78Å; Y159-F198 HydrophobicContact CE1-CD1 3.78Å; Y159-F198 AromaticContact CE1-CE1 3.77Å; Y159-F198 HydrophobicContact CE1-CE1 3.77Å; Y159-F198 HydrophobicContact CG-CE1 4.15Å; Y159-G231 WeakPolarHBondContact CA-O 2.95Å; Y159-G231 VanDerWaalsContact CD1-C 3.45Å; Y159-K232 HydrophobicContact CD1-CG 4.1Å; Y159-K232 HydrophobicContact CD2-CG 4.23Å; Y159-K232 HydrophobicContact CE1-CG 3.65Å; Y159-K232 HydrophobicContact CE2-CD 4.28Å; Y159-K232 HydrophobicContact CE2-CG 3.73Å; Y159-K232 HydrophobicContact CG-CG 4.4Å; Y159-K232 VanDerWaalsContact CZ-CG 3.48Å; Y159-K232 WeakPolarHBondContact OH-CE 3.47Å
160	V	71.9	Confident	75.5	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148	162.6	-56.8	0	0	0	0	110.8	N137 Y158 M215 G230 G231 V233	N137-V160 CarbonylContact O-C 3.44Å; N137-V160 WeakPolarHBondContact O-CA 3.28Å; Y158-V160 HydrophobicContact CD2-CG1 3.67Å; Y158-V160 HydrophobicContact CE2-CG1 3.2Å; V160-M215 HydrophobicContact CG2-CE 3.24Å; V160-G230 CarbonylContact O-C 3.46Å; V160-G230 WeakPolarHBondContact O-CA 3.41Å; V160-G231 PolarHBondContact N-O 3.05Å; V160-G231 PolarHBondContact O-N 2.53Å; V160-V233 HydrophobicContact CB-CG2 4.39Å; V160-V233 HydrophobicContact CG1-CB 4.49Å; V160-V233 HydrophobicContact CG1-CG2 4.02Å; V160-V233 HydrophobicContact CG2-CG2 3.53Å
161	V	73.5	Confident	76.3	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.8	173.7	-166.1	0	0	0	0	111.4	G136 N137 I139 F198 Y200 M228 T229	G136-V161 WeakPolarHBondContact CA-O 3.47Å; N137-V161 PolarHBondContact N-O 3.32Å; N137-V161 VanDerWaalsContact N-O 3.16Å; N137-V161 PolarHBondContact O-N 3.43Å; I139-V161 HydrophobicContact CD1-CG2 3.51Å; I139-V161 HydrophobicContact CG1-CG2 3.99Å; I139-V161 HydrophobicContact CG2-CG2 3.92Å; V161-F198 HydrophobicContact CG2-CE2 4.33Å; V161-F198 HydrophobicContact CG2-CZ 3.85Å; V161-Y200 HydrophobicContact CG1-CE1 3.92Å; V161-M228 HydrophobicContact CB-CE 4.46Å; V161-M228 HydrophobicContact CG1-CB 4Å; V161-M228 HydrophobicContact CG1-CE 3.56Å; V161-T229 WeakPolarHBondContact CA-O 3.39Å
162	K	70	Confident	77.1	Confident	25 Å²	25	46.2 Å²	46.2	11%	0.109	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.2	177.7	-65.4	-175.6	178	-174.3	0	111.8	M215 Y221 T229	K162-M215 HydrophobicContact CD-CE 4.46Å; K162-Y221 HydrophobicContact CB-CD1 4.32Å; K162-Y221 HydrophobicContact CB-CE1 3.76Å; K162-Y221 HydrophobicContact CD-CD1 4.42Å; K162-Y221 HydrophobicContact CD-CE1 3.41Å; K162-Y221 VanDerWaalsContact CD-CE1 3.41Å; K162-Y221 HydrophobicContact CG-CE1 4.24Å; K162-T229 PolarHBondContact N-O 2.99Å; K162-T229 PolarHBondContact O-N 3.15Å
163	P	69.5	Low	78	Confident	10 Å²	10	49 Å²	49	7%	0.065	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	143.6	169.6	-11.6	20.9	0	0	0	112.1	L32 I132 Y221 M228	L32-P163 HydrophobicContact CD1-CB 4.35Å; L32-P163 HydrophobicContact CD1-CG 3.64Å; I132-P163 HydrophobicContact CG2-CG 4.3Å; P163-Y221 WeakPolarHBondContact O-CD1 3.31Å; P163-M228 HydrophobicContact CB-SD 4.37Å
164	G	73.9	Confident	78.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	112.3	-178.6	174.8	0	0	0	0	0	113.7	I220 Q227 M228 T229	G164-I220 WeakPolarHBondContact CA-O 3.1Å; G164-Q227 PolarHBondContact N-O 3Å; G164-M228 CarbonylContact O-C 3.53Å; G164-T229 PolarHBondContact O-N 3.05Å; G164-T229 PolarHBondContact O-OG1 2.95Å
165	L	77.6	Confident	79.5	Confident	40 Å²	40	51.2 Å²	51.2	21%	0.209	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154	-177.2	-79	160.6	0	0	0	111.3	V219 I220 Q227 T229	L165-V219 CarbonylContact O-C 3.41Å; L165-V219 WeakPolarHBondContact O-CA 2.99Å; L165-V219 WeakPolarHBondContact O-CG1 3.24Å; L165-I220 PolarHBondContact N-O 3.18Å; L165-I220 PolarHBondContact O-N 2.77Å; L165-Q227 HydrophobicContact CD1-CB 3.87Å; L165-Q227 HydrophobicContact CD1-CG 3.93Å; L165-Q227 HydrophobicContact CD2-CB 3.79Å; L165-Q227 HydrophobicContact CD2-CG 4.43Å; L165-Q227 HydrophobicContact CG-CB 3.58Å; L165-Q227 HydrophobicContact CG-CG 4.2Å; L165-Q227 VanDerWaalsContact CG-OE1 3.27Å; L165-T229 WeakPolarHBondContact CA-OG1 3.44Å
166	P	79	Confident	80.3	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.6	165.2	-10.8	27.1	0	0	0	110.6	F170 I171 Y211 T229	P166-F170 HydrophobicContact CB-CB 3.79Å; P166-F170 HydrophobicContact CB-CD1 3.18Å; P166-F170 HydrophobicContact CB-CE1 3.86Å; P166-F170 HydrophobicContact CB-CG 3.64Å; P166-F170 HydrophobicContact CG-CD1 3.82Å; P166-F170 HydrophobicContact CG-CE1 4.02Å; P166-I171 HydrophobicContact CB-CG1 4.06Å; P166-I171 WeakPolarHBondContact O-CD1 3.45Å; P166-Y211 HydrophobicContact CG-CE1 4.48Å; P166-Y211 HydrophobicContact CG-CE2 4.06Å; P166-T229 WeakPolarHBondContact CD-OG1 3.36Å; P166-T229 HydrophobicContact CG-CG2 4.14Å
167	D	81.9	Confident	81.2	Confident	38 Å²	38	46.6 Å²	46.6	20%	0.203	24%	0.241	C	C	.	.			trans	-62.6	165.9	173.2	67.5	34.6	0	0	0	112.1	K169 F170 I171 T218 I220	D167-K169 PolarHBondContact O-N 2.84Å; D167-K169 VanDerWaalsContact O-N 3.16Å; D167-K169 WeakPolarHBondContact OD1-CA 3.43Å; D167-K169 WeakPolarHBondContact OD1-CB 3.46Å; D167-K169 PolarHBondContact OD1-N 3.35Å; D167-F170 PolarHBondContact O-N 2.89Å; D167-F170 VanDerWaalsContact O-N 3.13Å; D167-F170 WeakPolarHBondContact OD1-CB 3.32Å; D167-F170 PolarHBondContact OD1-N 2.85Å; D167-I171 WeakPolarHBondContact O-CG1 3.33Å; D167-I171 PolarHBondContact O-N 2.86Å; D167-T218 PolarHBondContact N-O 2.8Å; D167-I220 HydrophobicContact CB-CD1 3.62Å; D167-I220 HydrophobicContact CB-CG1 3.78Å
168	N	83.6	Confident	82.1	Confident	139 Å²	139	52.4 Å²	52.4	74%	0.743	27%	0.266	S	S	*	.	H	α-helix	trans	-59.2	-29.7	-179.2	-72.3	-16.3	0	0	0	113.1	S172	N168-S172 WeakPolarHBondContact O-CB 3.5Å; N168-S172 PolarHBondContact O-N 3.17Å; N168-S172 PolarHBondContact O-OG 2.83Å; N168-S172 VanDerWaalsContact O-OG 3.12Å
169	K	84.8	Confident	83.2	Confident	159 Å²	159	53.9 Å²	53.9	69%	0.691	27%	0.274	S	S	*	.	H	α-helix	trans	-70.8	-41.8	178.6	-179.6	-177.1	178.3	-178.4	0	110.6	D167 S172 T173	D167-K169 PolarHBondContact O-N 2.84Å; D167-K169 VanDerWaalsContact O-N 3.16Å; D167-K169 WeakPolarHBondContact OD1-CA 3.43Å; D167-K169 WeakPolarHBondContact OD1-CB 3.46Å; D167-K169 PolarHBondContact OD1-N 3.35Å; K169-S172 PolarHBondContact O-OG 3Å; K169-S172 VanDerWaalsContact O-OG 3.05Å; K169-T173 VanDerWaalsContact O-CB 3.31Å; K169-T173 WeakPolarHBondContact O-CB 3.23Å; K169-T173 PolarHBondContact O-N 2.87Å; K169-T173 VanDerWaalsContact O-N 3.13Å; K169-T173 PolarHBondContact O-OG1 3.21Å
170	F	86.7	Confident	83.8	Confident	7 Å²	7	59 Å²	59	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-47.7	175.2	-174.3	-79.6	0	0	0	110.4	P166 D167 S172 T173 Y174 T197 Y211 V214	P166-F170 HydrophobicContact CB-CB 3.79Å; P166-F170 HydrophobicContact CB-CD1 3.18Å; P166-F170 HydrophobicContact CB-CE1 3.86Å; P166-F170 HydrophobicContact CB-CG 3.64Å; P166-F170 HydrophobicContact CG-CD1 3.82Å; P166-F170 HydrophobicContact CG-CE1 4.02Å; D167-F170 PolarHBondContact O-N 2.89Å; D167-F170 VanDerWaalsContact O-N 3.13Å; D167-F170 WeakPolarHBondContact OD1-CB 3.32Å; D167-F170 PolarHBondContact OD1-N 2.85Å; F170-S172 PolarHBondContact O-N 2.82Å; F170-T173 PolarHBondContact O-N 2.99Å; F170-Y174 HydrophobicContact CB-CD2 4.49Å; F170-Y174 HydrophobicContact CD1-CD2 4.19Å; F170-Y174 AromaticContact CD2-CD2 3.55Å; F170-Y174 HydrophobicContact CD2-CD2 3.55Å; F170-Y174 AromaticContact CD2-CE2 3.92Å; F170-Y174 HydrophobicContact CD2-CE2 3.92Å; F170-Y174 HydrophobicContact CE1-CD2 4.36Å; F170-Y174 AromaticContact CE2-CD2 3.71Å; F170-Y174 HydrophobicContact CE2-CD2 3.71Å; F170-Y174 HydrophobicContact CE2-CE2 4.14Å; F170-Y174 HydrophobicContact CE2-CG 4.42Å; F170-Y174 AromaticContact CG-CD2 3.83Å; F170-Y174 HydrophobicContact CG-CD2 3.83Å; F170-Y174 HydrophobicContact CZ-CD2 4.14Å; F170-Y174 HydrophobicContact CZ-CG 4.47Å; F170-Y174 WeakPolarHBondContact O-CB 3.43Å; F170-Y174 WeakPolarHBondContact O-CD2 3.45Å; F170-Y174 PolarHBondContact O-N 2.88Å; F170-T197 HydrophobicContact CE1-CG2 4.36Å; F170-T197 HydrophobicContact CZ-CG2 4.27Å; F170-Y211 HydrophobicContact CD1-CD1 4.24Å; F170-Y211 HydrophobicContact CD1-CG 4.5Å; F170-Y211 AromaticContact CE1-CD1 3.95Å; F170-Y211 HydrophobicContact CE1-CD1 3.95Å; F170-Y211 HydrophobicContact CE1-CD2 4.35Å; F170-Y211 AromaticContact CE1-CG 3.78Å; F170-Y211 HydrophobicContact CE1-CG 3.78Å; F170-V214 WeakPolarHBondContact CE2-O 3.44Å
171	I	87.6	Confident	84	Confident	54 Å²	54	59 Å²	59	28%	0.277	30%	0.302	S	S	.	.	H	α-helix	trans	-57.5	-49.8	178.4	-65.3	172.5	0	0	0	109.9	P166 D167 T173 F175 Y211	P166-I171 HydrophobicContact CB-CG1 4.06Å; P166-I171 WeakPolarHBondContact O-CD1 3.45Å; D167-I171 WeakPolarHBondContact O-CG1 3.33Å; D167-I171 PolarHBondContact O-N 2.86Å; I171-T173 VanDerWaalsContact C-N 3.28Å; I171-T173 PolarHBondContact O-N 2.74Å; I171-F175 WeakPolarHBondContact O-CB 3.39Å; I171-F175 PolarHBondContact O-N 2.69Å; I171-F175 VanDerWaalsContact O-N 3.16Å; I171-Y211 HydrophobicContact CG1-CE1 4.1Å; I171-Y211 HydrophobicContact CG2-CE1 4.48Å
172	S	87.2	Confident	83.6	Confident	95 Å²	95	63.6 Å²	63.6	66%	0.664	33%	0.33	S	S	*	.	H	α-helix	trans	-65.9	-29.4	-177.9	65.6	0	0	0	0	113.9	N168 K169 F170	N168-S172 WeakPolarHBondContact O-CB 3.5Å; N168-S172 PolarHBondContact O-N 3.17Å; N168-S172 PolarHBondContact O-OG 2.83Å; N168-S172 VanDerWaalsContact O-OG 3.12Å; K169-S172 PolarHBondContact O-OG 3Å; K169-S172 VanDerWaalsContact O-OG 3.05Å; F170-S172 PolarHBondContact O-N 2.82Å
173	T	88.6	Confident	83.2	Confident	85 Å²	85	67 Å²	67	52%	0.521	35%	0.349	S	S	.	.	H	α-helix	trans	-87	-37.7	-175.9	-54.1	0	0	0	0	112.8	K169 F170 I171	K169-T173 VanDerWaalsContact O-CB 3.31Å; K169-T173 WeakPolarHBondContact O-CB 3.23Å; K169-T173 PolarHBondContact O-N 2.87Å; K169-T173 VanDerWaalsContact O-N 3.13Å; K169-T173 PolarHBondContact O-OG1 3.21Å; F170-T173 PolarHBondContact O-N 2.99Å; I171-T173 VanDerWaalsContact C-N 3.28Å; I171-T173 PolarHBondContact O-N 2.74Å
174	Y	90.7	Very high	83.4	Confident	95 Å²	95	68.2 Å²	68.2	37%	0.373	35%	0.354	S	S	.	.	H	α-helix	trans	-118	-0.1	-165.3	-62.8	-67.6	0	0	0	114.7	F170 L176 Y211 S212 G213	F170-Y174 HydrophobicContact CB-CD2 4.49Å; F170-Y174 HydrophobicContact CD1-CD2 4.19Å; F170-Y174 AromaticContact CD2-CD2 3.55Å; F170-Y174 HydrophobicContact CD2-CD2 3.55Å; F170-Y174 AromaticContact CD2-CE2 3.92Å; F170-Y174 HydrophobicContact CD2-CE2 3.92Å; F170-Y174 HydrophobicContact CE1-CD2 4.36Å; F170-Y174 AromaticContact CE2-CD2 3.71Å; F170-Y174 HydrophobicContact CE2-CD2 3.71Å; F170-Y174 HydrophobicContact CE2-CE2 4.14Å; F170-Y174 HydrophobicContact CE2-CG 4.42Å; F170-Y174 AromaticContact CG-CD2 3.83Å; F170-Y174 HydrophobicContact CG-CD2 3.83Å; F170-Y174 HydrophobicContact CZ-CD2 4.14Å; F170-Y174 HydrophobicContact CZ-CG 4.47Å; F170-Y174 WeakPolarHBondContact O-CB 3.43Å; F170-Y174 WeakPolarHBondContact O-CD2 3.45Å; F170-Y174 PolarHBondContact O-N 2.88Å; Y174-L176 PolarHBondContact O-N 3Å; Y174-Y211 CarbonylContact O-C 2.95Å; Y174-Y211 WeakPolarHBondContact O-CA 3.21Å; Y174-Y211 WeakPolarHBondContact O-CB 3.27Å; Y174-S212 PolarHBondContact O-N 2.82Å; Y174-S212 PolarHBondContact O-OG 2.86Å; Y174-G213 VanDerWaalsContact CD1-CA 3.47Å
175	F	92.2	Very high	83.7	Confident	95 Å²	95	68.4 Å²	68.4	42%	0.417	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	129.1	179.6	178.2	-102.7	0	0	0	111.7	I171 T177 K178 Y211	I171-F175 WeakPolarHBondContact O-CB 3.39Å; I171-F175 PolarHBondContact O-N 2.69Å; I171-F175 VanDerWaalsContact O-N 3.16Å; F175-T177 WeakPolarHBondContact CE2-O 3.34Å; F175-K178 HydrophobicContact CE2-CG 3.85Å; F175-K178 HydrophobicContact CZ-CG 3.89Å; F175-Y211 HydrophobicContact CB-CD1 4.36Å; F175-Y211 HydrophobicContact CD2-CD1 4.43Å; F175-Y211 HydrophobicContact CD2-CE1 4.11Å
176	L	93.2	Very high	83.7	Confident	59 Å²	59	66.6 Å²	66.6	31%	0.309	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-61.6	174.7	-69.1	173.9	0	0	0	110.7	Y174 N194 C195 L210	Y174-L176 PolarHBondContact O-N 3Å; L176-N194 HydrophobicContact CD1-CB 4.28Å; L176-N194 HydrophobicContact CD2-CB 4.48Å; L176-C195 HydrophobicContact CD1-CB 3.99Å; L176-L210 HydrophobicContact CB-CB 4.31Å; L176-L210 WeakPolarHBondContact CB-O 3.23Å; L176-L210 PolarHBondContact N-O 3.15Å
177	T	95.5	Very high	83.4	Confident	51 Å²	51	68.9 Å²	68.9	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	165.3	-173.6	-171.7	0	0	0	0	112.1	F175 I179 S209 L210	F175-T177 WeakPolarHBondContact CE2-O 3.34Å; T177-I179 HydrophobicContact CG2-CG2 3.9Å; T177-S209 WeakPolarHBondContact O-CA 3.49Å; T177-L210 HydrophobicContact CG2-CB 4.16Å; T177-L210 HydrophobicContact CG2-CD1 4.1Å; T177-L210 HydrophobicContact CG2-CG 4.28Å; T177-L210 PolarHBondContact O-N 3.11Å
178	K	93.9	Very high	83.5	Confident	126 Å²	126	68.8 Å²	68.8	55%	0.548	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.7	164.6	-76	-179.2	-177	179.8	0	109.5	F175 C208	F175-K178 HydrophobicContact CE2-CG 3.85Å; F175-K178 HydrophobicContact CZ-CG 3.89Å; K178-C208 CarbonylContact C-O 3.5Å; K178-C208 VanDerWaalsContact CA-O 3.24Å; K178-C208 WeakPolarHBondContact CA-O 3.18Å
179	I	91.3	Very high	83.6	Confident	41 Å²	41	62.2 Å²	62.2	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.5	-177.3	58.1	171.1	0	0	0	111	T177 E188 C208 L210	T177-I179 HydrophobicContact CG2-CG2 3.9Å; I179-E188 HydrophobicContact CD1-CB 3.26Å; I179-E188 HydrophobicContact CD1-CG 3.64Å; I179-C208 HydrophobicContact CD1-CB 4.3Å; I179-C208 HydrophobicContact CG1-CB 3.75Å; I179-C208 PolarHBondContact N-O 3.36Å; I179-C208 PolarHBondContact O-N 3.3Å; I179-L210 HydrophobicContact CD1-CD1 3.7Å; I179-L210 HydrophobicContact CD1-CD2 4.24Å; I179-L210 HydrophobicContact CD1-CG 4.01Å; I179-L210 HydrophobicContact CG1-CD1 4.42Å; I179-L210 HydrophobicContact CG1-CG 4.3Å
180	N	87.8	Confident	83.4	Confident	109 Å²	109	57.9 Å²	57.9	58%	0.583	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	101.2	165.2	-172.7	13.8	0	0	0	108	R206 W207	N180-R206 CarbonylContact C-O 3.52Å; N180-R206 VanDerWaalsContact CA-O 3.32Å; N180-R206 WeakPolarHBondContact CA-O 3.11Å; N180-R206 WeakPolarHBondContact OD1-CB 3.18Å; N180-W207 HydrophobicContact CB-CE3 4.18Å; N180-W207 HydrophobicContact CB-CZ3 4.22Å
181	A	75.1	Confident	83.2	Confident	3 Å²	3	64 Å²	64	3%	0.025	34%	0.336	C	S	.	.			trans	-59.9	138	-175.8	0	0	0	0	0	112	E188 R206	A181-E188 WeakPolarHBondContact CA-OE1 3.18Å; A181-E188 HydrophobicContact CB-CG 3.48Å; A181-E188 VanDerWaalsContact CB-CG 3.48Å; A181-R206 HydrophobicContact CB-CB 4.27Å; A181-R206 PolarHBondContact N-O 3.33Å; A181-R206 WeakPolarHBondContact O-CD 3.08Å
182	T	65.9	Low	83.1	Confident	100 Å²	100	63.4 Å²	63.4	61%	0.613	33%	0.334	S	S	*	.	S	Bend	trans	-71.7	-38.9	172.2	55.6	0	0	0	0	111.1	E188 R206	T182-E188 PolarHBondContact N-OE1 3.31Å; T182-E188 PolarHBondContact OG1-OE1 3.11Å; T182-R206 PolarHBondContact O-NH1 3.01Å
183	I	62.4	Low	83	Confident	98 Å²	98	62.9 Å²	62.9	50%	0.503	33%	0.328	S	S	.	.	S	Bend	trans	-115.5	-74.8	-178.5	-52.8	174.1	0	0	0	110.5	T22 D187	T22-I183 WeakPolarHBondContact CG2-O 3.46Å; I183-D187 WeakPolarHBondContact CG2-OD2 3.32Å
184	N	72.1	Confident	83	Confident	34 Å²	34	63.4 Å²	63.4	18%	0.182	33%	0.328	C	S	.	.			trans	-154.2	166.3	177.2	72.5	60.3	0	0	0	110.7	A186 D187 E188	N184-A186 VanDerWaalsContact C-N 3.31Å; N184-A186 PolarHBondContact O-N 2.93Å; N184-A186 WeakPolarHBondContact OD1-CA 3.29Å; N184-A186 VanDerWaalsContact OD1-CB 3.3Å; N184-A186 WeakPolarHBondContact OD1-CB 3.33Å; N184-A186 PolarHBondContact OD1-N 3.25Å; N184-D187 PolarHBondContact ND2-OD1 2.86Å; N184-D187 VanDerWaalsContact ND2-OD1 3.07Å; N184-D187 PolarHBondContact ND2-OD2 3.37Å; N184-D187 PolarHBondContact O-N 3.47Å; N184-D187 PolarHBondContact OD1-N 2.82Å; N184-D187 PolarHBondContact OD1-OD1 3.28Å; N184-E188 VanDerWaalsContact O-CG 3.3Å; N184-E188 WeakPolarHBondContact O-CG 3.46Å; N184-E188 PolarHBondContact O-N 2.74Å
185	C	79.9	Confident	82.9	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-25.4	-176.5	-60.3	0	0	0	0	115.5	C189 F198 Y200 P205 C208	C185-C189 VanDerWaalsContact O-CB 3.28Å; C185-C189 WeakPolarHBondContact O-CB 3.24Å; C185-C189 PolarHBondContact O-N 3.01Å; C185-C189 VanDerWaalsContact O-N 3.09Å; C185-F198 HydrophobicContact CB-CB 4.3Å; C185-F198 HydrophobicContact CB-CD2 3.38Å; C185-F198 HydrophobicContact CB-CE2 3.79Å; C185-F198 HydrophobicContact CB-CG 3.92Å; C185-Y200 HydrophobicContact CB-CD1 4.49Å; C185-Y200 VanDerWaalsContact SG-CB 3.59Å; C185-P205 PolarHBondContact SG-O 2.72Å; C185-C208 WeakPolarHBondContact CA-SG 3.4Å; C185-C208 HydrophobicContact CB-CB 3.66Å; C185-C208 WeakPolarHBondContact CB-SG 3.27Å; C185-C208 WeakPolarHBondContact SG-CB 3.27Å; C185-C208 CovalentContact SG-SG 2.01Å; C185-C208 PolarHBondContact SG-SG 3.42Å
186	A	78.9	Confident	82.7	Confident	3 Å²	3	54.6 Å²	54.6	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-73.2	-46.6	178.6	0	0	0	0	0	110.6	I139 N184 E188 C189 E190 F198	I139-A186 HydrophobicContact CD1-CB 3.29Å; I139-A186 HydrophobicContact CG1-CB 4.43Å; N184-A186 VanDerWaalsContact C-N 3.31Å; N184-A186 PolarHBondContact O-N 2.93Å; N184-A186 WeakPolarHBondContact OD1-CA 3.29Å; N184-A186 VanDerWaalsContact OD1-CB 3.3Å; N184-A186 WeakPolarHBondContact OD1-CB 3.33Å; N184-A186 PolarHBondContact OD1-N 3.25Å; A186-E188 VanDerWaalsContact C-N 3.32Å; A186-E188 PolarHBondContact O-N 2.86Å; A186-C189 CarbonylContact O-C 3.57Å; A186-C189 WeakPolarHBondContact O-CA 3.48Å; A186-C189 WeakPolarHBondContact O-CB 3.49Å; A186-C189 PolarHBondContact O-N 3.23Å; A186-E190 WeakPolarHBondContact O-CG 3.28Å; A186-E190 PolarHBondContact O-N 3.38Å; A186-F198 HydrophobicContact CB-CD1 4.45Å; A186-F198 HydrophobicContact CB-CE1 3.57Å; A186-F198 HydrophobicContact CB-CZ 3.71Å
187	D	72.8	Confident	82.4	Confident	52 Å²	52	51.8 Å²	51.8	28%	0.278	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-45.7	176.5	-63.1	-0.8	0	0	0	110.5	I183 N184 C189 E190 L191	I183-D187 WeakPolarHBondContact CG2-OD2 3.32Å; N184-D187 PolarHBondContact ND2-OD1 2.86Å; N184-D187 VanDerWaalsContact ND2-OD1 3.07Å; N184-D187 PolarHBondContact ND2-OD2 3.37Å; N184-D187 PolarHBondContact O-N 3.47Å; N184-D187 PolarHBondContact OD1-N 2.82Å; N184-D187 PolarHBondContact OD1-OD1 3.28Å; D187-C189 VanDerWaalsContact C-N 3.26Å; D187-C189 PolarHBondContact O-N 3.04Å; D187-E190 WeakPolarHBondContact O-CB 3.49Å; D187-E190 PolarHBondContact O-N 3.46Å; D187-E190 VanDerWaalsContact O-N 3.09Å; D187-L191 WeakPolarHBondContact O-CG 3.22Å; D187-L191 PolarHBondContact O-N 2.91Å
188	E	82.5	Confident	82.1	Confident	36 Å²	36	49.5 Å²	49.5	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-32.2	176.7	-60.8	-71.2	168.4	0	0	112.5	I179 A181 T182 N184 A186 N192	I179-E188 HydrophobicContact CD1-CB 3.26Å; I179-E188 HydrophobicContact CD1-CG 3.64Å; A181-E188 WeakPolarHBondContact CA-OE1 3.18Å; A181-E188 HydrophobicContact CB-CG 3.48Å; A181-E188 VanDerWaalsContact CB-CG 3.48Å; T182-E188 PolarHBondContact N-OE1 3.31Å; T182-E188 PolarHBondContact OG1-OE1 3.11Å; N184-E188 VanDerWaalsContact O-CG 3.3Å; N184-E188 WeakPolarHBondContact O-CG 3.46Å; N184-E188 PolarHBondContact O-N 2.74Å; A186-E188 VanDerWaalsContact C-N 3.32Å; A186-E188 PolarHBondContact O-N 2.86Å; E188-N192 PolarHBondContact O-N 2.85Å
189	C	85.8	Confident	81.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.2	-32.4	173	-168.1	0	0	0	0	111.7	Y159 C185 A186 D187 N192 C195 F198 L210	Y159-C189 HydrophobicContact CE1-CB 4.27Å; Y159-C189 WeakPolarHBondContact OH-CB 3.43Å; Y159-C189 PolarHBondContact OH-SG 2.61Å; C185-C189 VanDerWaalsContact O-CB 3.28Å; C185-C189 WeakPolarHBondContact O-CB 3.24Å; C185-C189 PolarHBondContact O-N 3.01Å; C185-C189 VanDerWaalsContact O-N 3.09Å; A186-C189 CarbonylContact O-C 3.57Å; A186-C189 WeakPolarHBondContact O-CA 3.48Å; A186-C189 WeakPolarHBondContact O-CB 3.49Å; A186-C189 PolarHBondContact O-N 3.23Å; D187-C189 VanDerWaalsContact C-N 3.26Å; D187-C189 PolarHBondContact O-N 3.04Å; C189-N192 PolarHBondContact O-N 2.86Å; C189-N192 VanDerWaalsContact O-O 3.06Å; C189-C195 VanDerWaalsContact CA-SG 3.52Å; C189-C195 HydrophobicContact CB-CB 4.01Å; C189-C195 WeakPolarHBondContact CB-SG 3.5Å; C189-C195 WeakPolarHBondContact O-CB 3.44Å; C189-C195 VanDerWaalsContact SG-C 3.57Å; C189-C195 WeakPolarHBondContact SG-CB 3.17Å; C189-C195 CovalentContact SG-SG 2.03Å; C189-C195 PolarHBondContact SG-SG 3.14Å; C189-F198 HydrophobicContact CB-CB 4.33Å; C189-F198 HydrophobicContact CB-CD1 3.99Å; C189-L210 HydrophobicContact CB-CD2 4Å
190	E	81.7	Confident	81.4	Confident	68 Å²	68	43.6 Å²	43.6	32%	0.318	24%	0.235	S	C	.	.	H	α-helix	trans	-66.4	-38.3	173.4	-76.6	-175.9	-179.1	0	0	112	S140 L143 Y159 A186 D187 N192	S140-E190 WeakPolarHBondContact CB-OE1 3.06Å; S140-E190 PolarHBondContact OG-OE1 2.76Å; L143-E190 WeakPolarHBondContact CD1-OE1 3.46Å; L143-E190 WeakPolarHBondContact CD1-OE2 2.97Å; Y159-E190 HydrophobicContact CD2-CG 4.14Å; Y159-E190 WeakPolarHBondContact CD2-OE1 3.46Å; Y159-E190 HydrophobicContact CE2-CG 3.38Å; A186-E190 WeakPolarHBondContact O-CG 3.28Å; A186-E190 PolarHBondContact O-N 3.38Å; D187-E190 WeakPolarHBondContact O-CB 3.49Å; D187-E190 PolarHBondContact O-N 3.46Å; D187-E190 VanDerWaalsContact O-N 3.09Å; E190-N192 PolarHBondContact O-N 3.2Å
191	L	82.9	Confident	80.9	Confident	135 Å²	135	40.9 Å²	40.9	71%	0.707	22%	0.22	S	C	*	.	H	α-helix	trans	-68	-22.7	176.9	-67.8	173.8	0	0	0	113.1	D187 P193	D187-L191 WeakPolarHBondContact O-CG 3.22Å; D187-L191 PolarHBondContact O-N 2.91Å; L191-P193 WeakPolarHBondContact O-CD 3.49Å
192	N	85.8	Confident	80.6	Confident	43 Å²	43	41.6 Å²	41.6	23%	0.23	22%	0.223	C	C	.	.	S	Bend	trans	-94.4	111.9	176.5	-172.9	-36.2	0	0	0	110.7	E188 C189 E190 N194 C195	E188-N192 PolarHBondContact O-N 2.85Å; C189-N192 PolarHBondContact O-N 2.86Å; C189-N192 VanDerWaalsContact O-O 3.06Å; E190-N192 PolarHBondContact O-N 3.2Å; N192-N194 PolarHBondContact O-N 3.47Å; N192-N194 PolarHBondContact OD1-N 3Å; N192-C195 HydrophobicContact CB-CB 3.77Å; N192-C195 PolarHBondContact O-N 2.69Å
193	P	84.5	Confident	80.4	Confident	83 Å²	83	42.3 Å²	42.3	54%	0.539	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.6	-174.4	25.9	-35.4	0	0	0	114.1	N147 L191	N147-P193 PolarHBondContact ND2-O 3.01Å; L191-P193 WeakPolarHBondContact O-CD 3.49Å
194	N	88.4	Confident	80.6	Confident	96 Å²	96	45.8 Å²	45.8	51%	0.513	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-8.6	178	-63.8	-33.4	0	0	0	113	L176 N192 S212	L176-N194 HydrophobicContact CD1-CB 4.28Å; L176-N194 HydrophobicContact CD2-CB 4.48Å; N192-N194 PolarHBondContact O-N 3.47Å; N192-N194 PolarHBondContact OD1-N 3Å; N194-S212 VanDerWaalsContact O-CA 3.25Å; N194-S212 WeakPolarHBondContact O-CA 3.03Å; N194-S212 WeakPolarHBondContact O-CB 3.3Å
195	C	88.5	Confident	80.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.			trans	-84.4	128.6	-176.4	-171.4	0	0	0	0	111.5	L176 C189 N192 T197 K232	L176-C195 HydrophobicContact CD1-CB 3.99Å; C189-C195 VanDerWaalsContact CA-SG 3.52Å; C189-C195 HydrophobicContact CB-CB 4.01Å; C189-C195 WeakPolarHBondContact CB-SG 3.5Å; C189-C195 WeakPolarHBondContact O-CB 3.44Å; C189-C195 VanDerWaalsContact SG-C 3.57Å; C189-C195 WeakPolarHBondContact SG-CB 3.17Å; C189-C195 CovalentContact SG-SG 2.03Å; C189-C195 PolarHBondContact SG-SG 3.14Å; N192-C195 HydrophobicContact CB-CB 3.77Å; N192-C195 PolarHBondContact O-N 2.69Å; C195-T197 PolarHBondContact SG-O 3.3Å; C195-K232 WeakPolarHBondContact O-CE 3.46Å; C195-K232 PolarHBondContact O-NZ 2.83Å
196	L	87.1	Confident	79.7	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	25%	0.254	C	S	.	.			trans	-122.3	-24.5	178.2	-60.3	-176.8	0	0	0	112.2	L151 Y211 S212 G213 V214 G231 K232	L151-L196 HydrophobicContact CB-CD1 4.44Å; L151-L196 HydrophobicContact CD1-CD1 3.45Å; L151-L196 VanDerWaalsContact CD1-CD1 3.45Å; L196-Y211 PolarHBondContact N-O 3Å; L196-S212 WeakPolarHBondContact CD1-O 3.04Å; L196-G213 WeakPolarHBondContact CB-O 3.49Å; L196-V214 HydrophobicContact CD1-CG2 3.59Å; L196-G231 CarbonylContact O-C 3.36Å; L196-G231 WeakPolarHBondContact O-CA 3.28Å; L196-K232 HydrophobicContact CD2-CD 3.84Å; L196-K232 PolarHBondContact O-N 2.84Å
197	T	88.3	Confident	79.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.1	-179.6	-60	0	0	0	0	109	F170 C195 Y211 G213 M215 T229 G230	F170-T197 HydrophobicContact CE1-CG2 4.36Å; F170-T197 HydrophobicContact CZ-CG2 4.27Å; C195-T197 PolarHBondContact SG-O 3.3Å; T197-Y211 HydrophobicContact CG2-CD2 4.05Å; T197-Y211 PolarHBondContact N-O 2.81Å; T197-Y211 VanDerWaalsContact N-O 3.13Å; T197-Y211 WeakPolarHBondContact O-CD2 3.14Å; T197-Y211 PolarHBondContact O-N 2.94Å; T197-G213 VanDerWaalsContact CB-O 3.27Å; T197-G213 WeakPolarHBondContact CB-O 3.12Å; T197-G213 PolarHBondContact OG1-O 2.02Å; T197-M215 HydrophobicContact CG2-CB 4.31Å; T197-M215 PolarHBondContact OG1-N 2.84Å; T197-T229 HydrophobicContact CG2-CG2 3.52Å; T197-G230 CarbonylContact C-O 3.47Å; T197-G230 WeakPolarHBondContact CA-O 3.28Å; T197-G230 WeakPolarHBondContact CG2-O 3.17Å
198	F	89.2	Confident	80.6	Confident	3 Å²	3	55 Å²	55	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.5	172.8	63.7	-95.4	0	0	0	110.1	I139 Y159 V161 C185 A186 C189 Y200 S209 L210 T229 G230	I139-F198 HydrophobicContact CD1-CE1 4.2Å; I139-F198 HydrophobicContact CD1-CZ 3.69Å; Y159-F198 AromaticContact CD1-CD1 3.93Å; Y159-F198 HydrophobicContact CD1-CD1 3.93Å; Y159-F198 AromaticContact CD1-CE1 3.44Å; Y159-F198 HydrophobicContact CD1-CE1 3.44Å; Y159-F198 VanDerWaalsContact CD1-CE1 3.44Å; Y159-F198 AromaticContact CE1-CD1 3.78Å; Y159-F198 HydrophobicContact CE1-CD1 3.78Å; Y159-F198 AromaticContact CE1-CE1 3.77Å; Y159-F198 HydrophobicContact CE1-CE1 3.77Å; Y159-F198 HydrophobicContact CG-CE1 4.15Å; V161-F198 HydrophobicContact CG2-CE2 4.33Å; V161-F198 HydrophobicContact CG2-CZ 3.85Å; C185-F198 HydrophobicContact CB-CB 4.3Å; C185-F198 HydrophobicContact CB-CD2 3.38Å; C185-F198 HydrophobicContact CB-CE2 3.79Å; C185-F198 HydrophobicContact CB-CG 3.92Å; A186-F198 HydrophobicContact CB-CD1 4.45Å; A186-F198 HydrophobicContact CB-CE1 3.57Å; A186-F198 HydrophobicContact CB-CZ 3.71Å; C189-F198 HydrophobicContact CB-CB 4.33Å; C189-F198 HydrophobicContact CB-CD1 3.99Å; F198-Y200 HydrophobicContact CD2-CD1 4Å; F198-Y200 HydrophobicContact CD2-CE1 4.46Å; F198-Y200 AromaticContact CE2-CD1 3.79Å; F198-Y200 HydrophobicContact CE2-CD1 3.79Å; F198-Y200 AromaticContact CE2-CE1 3.8Å; F198-Y200 HydrophobicContact CE2-CE1 3.8Å; F198-S209 CarbonylContact C-O 3.44Å; F198-S209 WeakPolarHBondContact CA-O 3.37Å; F198-L210 HydrophobicContact CB-CD2 3.66Å; F198-T229 CarbonylContact O-C 3.5Å; F198-T229 VanDerWaalsContact O-CA 3.32Å; F198-T229 WeakPolarHBondContact O-CA 3.37Å; F198-T229 WeakPolarHBondContact O-CG2 3.24Å; F198-G230 PolarHBondContact N-O 3.06Å; F198-G230 PolarHBondContact O-N 2.83Å; F198-G230 VanDerWaalsContact O-O 3.09Å
199	S	88.9	Confident	81.1	Confident	4 Å²	4	54 Å²	54	3%	0.028	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.2	170.2	68.9	0	0	0	0	111.2	C208 S209 Y211 M228	S199-C208 CarbonylContact O-C 3.09Å; S199-C208 VanDerWaalsContact O-CA 3.29Å; S199-C208 WeakPolarHBondContact O-CA 3.32Å; S199-S209 PolarHBondContact N-O 3.07Å; S199-S209 PolarHBondContact O-N 3.39Å; S199-S209 WeakPolarHBondContact OG-CB 3.36Å; S199-Y211 WeakPolarHBondContact OG-CE2 3.13Å; S199-Y211 PolarHBondContact OG-OH 2.75Å; S199-M228 CarbonylContact C-O 3.5Å; S199-M228 WeakPolarHBondContact CA-O 3.42Å; S199-M228 WeakPolarHBondContact CB-O 3.04Å
200	Y	81.6	Confident	81.4	Confident	39 Å²	39	54.2 Å²	54.2	15%	0.153	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	160	178.2	65	-87.1	0	0	0	110.8	V161 C185 F198 P205 Q227 M228	V161-Y200 HydrophobicContact CG1-CE1 3.92Å; C185-Y200 HydrophobicContact CB-CD1 4.49Å; C185-Y200 VanDerWaalsContact SG-CB 3.59Å; F198-Y200 HydrophobicContact CD2-CD1 4Å; F198-Y200 HydrophobicContact CD2-CE1 4.46Å; F198-Y200 AromaticContact CE2-CD1 3.79Å; F198-Y200 HydrophobicContact CE2-CD1 3.79Å; F198-Y200 AromaticContact CE2-CE1 3.8Å; F198-Y200 HydrophobicContact CE2-CE1 3.8Å; Y200-P205 HydrophobicContact CD2-CB 4.06Å; Y200-P205 HydrophobicContact CE2-CB 4.27Å; Y200-Q227 CarbonylContact O-C 3.5Å; Y200-Q227 VanDerWaalsContact O-CA 3.27Å; Y200-Q227 WeakPolarHBondContact O-CA 3.39Å; Y200-M228 HydrophobicContact CD1-CB 3.82Å; Y200-M228 HydrophobicContact CD2-CB 4.06Å; Y200-M228 HydrophobicContact CD2-CG 4.38Å; Y200-M228 HydrophobicContact CE1-CB 3.36Å; Y200-M228 HydrophobicContact CE1-CG 4.22Å; Y200-M228 HydrophobicContact CE2-CB 3.66Å; Y200-M228 HydrophobicContact CE2-CG 3.71Å; Y200-M228 HydrophobicContact CG-CB 4.15Å; Y200-M228 PolarHBondContact N-O 2.81Å; Y200-M228 PolarHBondContact O-N 3.47Å
201	I	76.8	Confident	81.9	Confident	52 Å²	52	51.2 Å²	51.2	27%	0.267	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.8	171.8	-55.6	174	0	0	0	107.2	D203 R204 E226 Q227	I201-D203 PolarHBondContact O-N 3.09Å; I201-R204 HydrophobicContact CB-CB 4.38Å; I201-R204 CarbonylContact O-C 3.49Å; I201-R204 WeakPolarHBondContact O-CA 3.34Å; I201-R204 PolarHBondContact O-N 3.38Å; I201-E226 CarbonylContact C-O 3.43Å; I201-E226 VanDerWaalsContact CA-O 3.27Å; I201-E226 WeakPolarHBondContact CA-O 3.38Å; I201-E226 HydrophobicContact CG2-CB 4.28Å; I201-E226 WeakPolarHBondContact CG2-O 3.1Å; I201-Q227 HydrophobicContact CG1-CG 4.09Å
202	I	68.5	Low	82.2	Confident	17 Å²	17	46.5 Å²	46.5	9%	0.087	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-42.7	-177.2	-66.4	173.1	0	0	0	111.1	T35 R204 P205 E226 M228	T35-I202 HydrophobicContact CG2-CD1 3.98Å; I202-R204 PolarHBondContact O-N 2.78Å; I202-P205 WeakPolarHBondContact O-CD 3.44Å; I202-E226 WeakPolarHBondContact CG1-O 3.47Å; I202-E226 PolarHBondContact N-O 2.02Å; I202-M228 HydrophobicContact CD1-CG 4.15Å; I202-M228 HydrophobicContact CD1-SD 4.34Å; I202-M228 HydrophobicContact CG1-CG 3.61Å; I202-M228 HydrophobicContact CG1-SD 4.42Å
203	D	61.4	Low	82.2	Confident	116 Å²	116	44.6 Å²	44.6	62%	0.62	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.2	179.5	-64.7	-15.2	0	0	0	113.7	I201	I201-D203 PolarHBondContact O-N 3.09Å
204	R	66.7	Low	82	Confident	171 Å²	171	42 Å²	42	65%	0.645	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	63.4	177	-58.9	-176.1	-173.3	-179.6	2.1	109.7	I201 I202 R206 W207	I201-R204 HydrophobicContact CB-CB 4.38Å; I201-R204 CarbonylContact O-C 3.49Å; I201-R204 WeakPolarHBondContact O-CA 3.34Å; I201-R204 PolarHBondContact O-N 3.38Å; I202-R204 PolarHBondContact O-N 2.78Å; R204-R206 PolarHBondContact O-N 2.01Å; R204-W207 HydrophobicContact CB-CB 4.1Å; R204-W207 PolarHBondContact O-N 2.89Å
205	P	62	Low	81.1	Confident	43 Å²	43	37.5 Å²	37.5	28%	0.279	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-11	-170	29.2	-35.6	0	0	0	113.5	C185 Y200 I202	C185-P205 PolarHBondContact SG-O 2.72Å; Y200-P205 HydrophobicContact CD2-CB 4.06Å; Y200-P205 HydrophobicContact CE2-CB 4.27Å; I202-P205 WeakPolarHBondContact O-CD 3.44Å
206	R	71.9	Confident	79.9	Confident	112 Å²	112	37.6 Å²	37.6	42%	0.423	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-14.9	173.6	-63.8	-174.7	176.6	-156.5	-0.4	113.4	N180 A181 T182 R204 C208	N180-R206 CarbonylContact C-O 3.52Å; N180-R206 VanDerWaalsContact CA-O 3.32Å; N180-R206 WeakPolarHBondContact CA-O 3.11Å; N180-R206 WeakPolarHBondContact OD1-CB 3.18Å; A181-R206 HydrophobicContact CB-CB 4.27Å; A181-R206 PolarHBondContact N-O 3.33Å; A181-R206 WeakPolarHBondContact O-CD 3.08Å; T182-R206 PolarHBondContact O-NH1 3.01Å; R204-R206 PolarHBondContact O-N 2.01Å; R206-C208 PolarHBondContact O-N 3.04Å; R206-C208 PolarHBondContact O-SG 2.78Å
207	W	81.5	Confident	78	Confident	131 Å²	131	41.9 Å²	41.9	50%	0.496	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	97	177.2	-160.4	-82.8	0	0	0	109.9	N180 R204	N180-W207 HydrophobicContact CB-CE3 4.18Å; N180-W207 HydrophobicContact CB-CZ3 4.22Å; R204-W207 HydrophobicContact CB-CB 4.1Å; R204-W207 PolarHBondContact O-N 2.89Å
208	C	87.9	Confident	76.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.3	-169.9	-42.6	0	0	0	0	111	K178 I179 C185 S199 R206 L210	K178-C208 CarbonylContact C-O 3.5Å; K178-C208 VanDerWaalsContact CA-O 3.24Å; K178-C208 WeakPolarHBondContact CA-O 3.18Å; I179-C208 HydrophobicContact CD1-CB 4.3Å; I179-C208 HydrophobicContact CG1-CB 3.75Å; I179-C208 PolarHBondContact N-O 3.36Å; I179-C208 PolarHBondContact O-N 3.3Å; C185-C208 WeakPolarHBondContact CA-SG 3.4Å; C185-C208 HydrophobicContact CB-CB 3.66Å; C185-C208 WeakPolarHBondContact CB-SG 3.27Å; C185-C208 WeakPolarHBondContact SG-CB 3.27Å; C185-C208 CovalentContact SG-SG 2.01Å; C185-C208 PolarHBondContact SG-SG 3.42Å; S199-C208 CarbonylContact O-C 3.09Å; S199-C208 VanDerWaalsContact O-CA 3.29Å; S199-C208 WeakPolarHBondContact O-CA 3.32Å; R206-C208 PolarHBondContact O-N 3.04Å; R206-C208 PolarHBondContact O-SG 2.78Å; C208-L210 HydrophobicContact CB-CD2 4.18Å
209	S	93	Very high	74.8	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.112	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.9	157.6	-52.8	0	0	0	0	108.3	T177 F198 S199 Y211	T177-S209 WeakPolarHBondContact O-CA 3.49Å; F198-S209 CarbonylContact C-O 3.44Å; F198-S209 WeakPolarHBondContact CA-O 3.37Å; S199-S209 PolarHBondContact N-O 3.07Å; S199-S209 PolarHBondContact O-N 3.39Å; S199-S209 WeakPolarHBondContact OG-CB 3.36Å; S209-Y211 WeakPolarHBondContact CB-OH 2.88Å; S209-Y211 VanDerWaalsContact O-CE2 3.31Å; S209-Y211 WeakPolarHBondContact O-CE2 3.3Å
210	L	92.7	Very high	73.2	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	146.1	179.9	-59.5	-167.5	0	0	0	110.2	L176 T177 I179 C189 F198 C208	L176-L210 HydrophobicContact CB-CB 4.31Å; L176-L210 WeakPolarHBondContact CB-O 3.23Å; L176-L210 PolarHBondContact N-O 3.15Å; T177-L210 HydrophobicContact CG2-CB 4.16Å; T177-L210 HydrophobicContact CG2-CD1 4.1Å; T177-L210 HydrophobicContact CG2-CG 4.28Å; T177-L210 PolarHBondContact O-N 3.11Å; I179-L210 HydrophobicContact CD1-CD1 3.7Å; I179-L210 HydrophobicContact CD1-CD2 4.24Å; I179-L210 HydrophobicContact CD1-CG 4.01Å; I179-L210 HydrophobicContact CG1-CD1 4.42Å; I179-L210 HydrophobicContact CG1-CG 4.3Å; C189-L210 HydrophobicContact CB-CD2 4Å; F198-L210 HydrophobicContact CB-CD2 3.66Å; C208-L210 HydrophobicContact CB-CD2 4.18Å
211	Y	92	Very high	72	Confident	6 Å²	6	52 Å²	52	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.6	-177	-46.4	-92	0	0	0	112.1	P166 F170 I171 Y174 F175 L196 T197 S199 S209	P166-Y211 HydrophobicContact CG-CE1 4.48Å; P166-Y211 HydrophobicContact CG-CE2 4.06Å; F170-Y211 HydrophobicContact CD1-CD1 4.24Å; F170-Y211 HydrophobicContact CD1-CG 4.5Å; F170-Y211 AromaticContact CE1-CD1 3.95Å; F170-Y211 HydrophobicContact CE1-CD1 3.95Å; F170-Y211 HydrophobicContact CE1-CD2 4.35Å; F170-Y211 AromaticContact CE1-CG 3.78Å; F170-Y211 HydrophobicContact CE1-CG 3.78Å; I171-Y211 HydrophobicContact CG1-CE1 4.1Å; I171-Y211 HydrophobicContact CG2-CE1 4.48Å; Y174-Y211 CarbonylContact O-C 2.95Å; Y174-Y211 WeakPolarHBondContact O-CA 3.21Å; Y174-Y211 WeakPolarHBondContact O-CB 3.27Å; F175-Y211 HydrophobicContact CB-CD1 4.36Å; F175-Y211 HydrophobicContact CD2-CD1 4.43Å; F175-Y211 HydrophobicContact CD2-CE1 4.11Å; L196-Y211 PolarHBondContact N-O 3Å; T197-Y211 HydrophobicContact CG2-CD2 4.05Å; T197-Y211 PolarHBondContact N-O 2.81Å; T197-Y211 VanDerWaalsContact N-O 3.13Å; T197-Y211 WeakPolarHBondContact O-CD2 3.14Å; T197-Y211 PolarHBondContact O-N 2.94Å; S199-Y211 WeakPolarHBondContact OG-CE2 3.13Å; S199-Y211 PolarHBondContact OG-OH 2.75Å; S209-Y211 WeakPolarHBondContact CB-OH 2.88Å; S209-Y211 VanDerWaalsContact O-CE2 3.31Å; S209-Y211 WeakPolarHBondContact O-CE2 3.3Å
212	S	90.4	Very high	71	Confident	36 Å²	36	53.2 Å²	53.2	25%	0.252	27%	0.27	S	S	.	.	S	Bend	trans	-86.6	-10.9	176.6	57.2	0	0	0	0	114.4	Y174 N194 L196	Y174-S212 PolarHBondContact O-N 2.82Å; Y174-S212 PolarHBondContact O-OG 2.86Å; N194-S212 VanDerWaalsContact O-CA 3.25Å; N194-S212 WeakPolarHBondContact O-CA 3.03Å; N194-S212 WeakPolarHBondContact O-CB 3.3Å; L196-S212 WeakPolarHBondContact CD1-O 3.04Å
213	G	86	Confident	70.2	Confident	2 Å²	2	54.4 Å²	54.4	2%	0.021	28%	0.276	C	S	.	.	S	Bend	trans	-80.4	147.8	178.2	0	0	0	0	0	111.4	Y174 L196 T197	Y174-G213 VanDerWaalsContact CD1-CA 3.47Å; L196-G213 WeakPolarHBondContact CB-O 3.49Å; T197-G213 VanDerWaalsContact CB-O 3.27Å; T197-G213 WeakPolarHBondContact CB-O 3.12Å; T197-G213 PolarHBondContact OG1-O 2.02Å
214	V	79.7	Confident	69.8	Low	29 Å²	29	52.5 Å²	52.5	18%	0.176	27%	0.269	C	S	.	.			trans	-74.2	138.6	171.5	-178	0	0	0	0	109.1	L151 M152 F170 L196 G216	L151-V214 HydrophobicContact CB-CG2 3.78Å; L151-V214 HydrophobicContact CD1-CG2 4.48Å; M152-V214 HydrophobicContact CE-CG1 4.3Å; M152-V214 HydrophobicContact CG-CB 4.37Å; M152-V214 HydrophobicContact CG-CG1 3.9Å; M152-V214 HydrophobicContact CG-CG2 3.47Å; M152-V214 VanDerWaalsContact CG-CG2 3.47Å; M152-V214 HydrophobicContact SD-CG1 4.04Å; M152-V214 HydrophobicContact SD-CG2 3.99Å; F170-V214 WeakPolarHBondContact CE2-O 3.44Å; L196-V214 HydrophobicContact CD1-CG2 3.59Å; V214-G216 PolarHBondContact O-N 2.83Å; V214-G216 VanDerWaalsContact O-N 3.09Å
215	M	69.9	Low	69.4	Low	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.246	C	C	.	.			trans	-61.2	115.4	174	-167.2	-175.3	63.8	0	0	109	V160 K162 T197 V219 T229 L245	V160-M215 HydrophobicContact CG2-CE 3.24Å; K162-M215 HydrophobicContact CD-CE 4.46Å; T197-M215 HydrophobicContact CG2-CB 4.31Å; T197-M215 PolarHBondContact OG1-N 2.84Å; M215-V219 HydrophobicContact CG-CG2 3.66Å; M215-T229 HydrophobicContact CG-CG2 4.36Å; M215-T229 HydrophobicContact SD-CG2 4.31Å; M215-L245 WeakPolarHBondContact O-CD2 3.38Å
216	G	62.3	Low	69.9	Low	2 Å²	2	47.6 Å²	47.6	2%	0.021	25%	0.252	C	S	.	.			trans	-124.4	-172.4	-179.8	0	0	0	0	0	112.4	V214 T218 V219 I247	V214-G216 PolarHBondContact O-N 2.83Å; V214-G216 VanDerWaalsContact O-N 3.09Å; G216-T218 PolarHBondContact O-N 3.27Å; G216-V219 PolarHBondContact O-N 3.21Å; G216-I247 VanDerWaalsContact CA-CD1 3.45Å
217	A	48.5	Very low	70.1	Confident	96 Å²	96	45.3 Å²	45.3	79%	0.793	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-5.9	172.9	0	0	0	0	0	114.2	V219	A217-V219 VanDerWaalsContact C-N 3.34Å
218	T	53.3	Low	69.9	Low	58 Å²	58	39.2 Å²	39.2	36%	0.356	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.1	178.8	50.5	0	0	0	0	114.4	D167 G216 I220	D167-T218 PolarHBondContact N-O 2.8Å; G216-T218 PolarHBondContact O-N 3.27Å; T218-I220 PolarHBondContact O-N 2.82Å
219	V	55.7	Low	69.6	Low	3 Å²	3	39.2 Å²	39.2	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.7	160.2	-179.8	0	0	0	0	107.1	L165 M215 G216 A217 Y221 T229	L165-V219 CarbonylContact O-C 3.41Å; L165-V219 WeakPolarHBondContact O-CA 2.99Å; L165-V219 WeakPolarHBondContact O-CG1 3.24Å; M215-V219 HydrophobicContact CG-CG2 3.66Å; G216-V219 PolarHBondContact O-N 3.21Å; A217-V219 VanDerWaalsContact C-N 3.34Å; V219-Y221 VanDerWaalsContact C-N 3.25Å; V219-Y221 HydrophobicContact CB-CE1 4.12Å; V219-Y221 HydrophobicContact CB-CE2 4.26Å; V219-Y221 HydrophobicContact CG1-CD1 4.14Å; V219-Y221 HydrophobicContact CG1-CE1 3.96Å; V219-Y221 WeakPolarHBondContact O-CD2 3Å; V219-Y221 WeakPolarHBondContact O-CE2 3.08Å; V219-Y221 PolarHBondContact O-N 3.18Å; V219-T229 HydrophobicContact CG2-CG2 3.9Å
220	I	54.8	Low	69.1	Low	105 Å²	105	38.4 Å²	38.4	54%	0.538	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	96.1	167.5	-58.2	175.6	0	0	0	105.8	G164 L165 D167 T218 N222	G164-I220 WeakPolarHBondContact CA-O 3.1Å; L165-I220 PolarHBondContact N-O 3.18Å; L165-I220 PolarHBondContact O-N 2.77Å; D167-I220 HydrophobicContact CB-CD1 3.62Å; D167-I220 HydrophobicContact CB-CG1 3.78Å; T218-I220 PolarHBondContact O-N 2.82Å; I220-N222 PolarHBondContact O-N 3.36Å
221	Y	56.3	Low	68.6	Low	93 Å²	93	38.3 Å²	38.3	37%	0.365	22%	0.217	S	C	.	.			trans	-66.1	91	169.4	-60.8	-72.7	0	0	0	107.7	K162 P163 V219	K162-Y221 HydrophobicContact CB-CD1 4.32Å; K162-Y221 HydrophobicContact CB-CE1 3.76Å; K162-Y221 HydrophobicContact CD-CD1 4.42Å; K162-Y221 HydrophobicContact CD-CE1 3.41Å; K162-Y221 VanDerWaalsContact CD-CE1 3.41Å; K162-Y221 HydrophobicContact CG-CE1 4.24Å; P163-Y221 WeakPolarHBondContact O-CD1 3.31Å; V219-Y221 VanDerWaalsContact C-N 3.25Å; V219-Y221 HydrophobicContact CB-CE1 4.12Å; V219-Y221 HydrophobicContact CB-CE2 4.26Å; V219-Y221 HydrophobicContact CG1-CD1 4.14Å; V219-Y221 HydrophobicContact CG1-CE1 3.96Å; V219-Y221 WeakPolarHBondContact O-CD2 3Å; V219-Y221 WeakPolarHBondContact O-CE2 3.08Å; V219-Y221 PolarHBondContact O-N 3.18Å
222	N	56.9	Low	68	Low	77 Å²	77	39 Å²	39	41%	0.412	22%	0.22	S	C	.	.			trans	-102.7	104	164.4	-172.6	-4.6	0	0	0	107.6	I220 T224 S225	I220-N222 PolarHBondContact O-N 3.36Å; N222-T224 VanDerWaalsContact CG-OG1 3.23Å; N222-T224 PolarHBondContact ND2-OG1 3.21Å; N222-T224 PolarHBondContact O-N 2.93Å; N222-T224 PolarHBondContact OD1-N 3.17Å; N222-T224 PolarHBondContact OD1-OG1 3.38Å; N222-S225 VanDerWaalsContact O-CB 3.27Å; N222-S225 WeakPolarHBondContact O-CB 3.49Å; N222-S225 PolarHBondContact O-N 2.95Å
223	D	50.9	Low	67.3	Low	41 Å²	41	38.4 Å²	38.4	22%	0.219	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.6	-179	-89.8	-47.5	0	0	0	114.2	C36 K52	C36-D223 WeakPolarHBondContact CB-O 3.3Å; C36-D223 PolarHBondContact N-O 3.22Å; K52-D223 PolarHBondContact NZ-O 2.97Å; K52-D223 IonicContact NZ-OD1 2.94Å; K52-D223 PolarHBondContact NZ-OD1 3.1Å
224	T	53.2	Low	66.7	Low	76 Å²	76	39.1 Å²	39.1	47%	0.466	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.8	177.1	67.5	0	0	0	0	113.8	T35 C36 N222	T35-T224 WeakPolarHBondContact CB-O 3.03Å; C36-T224 HydrophobicContact CB-CG2 4.37Å; N222-T224 VanDerWaalsContact CG-OG1 3.23Å; N222-T224 PolarHBondContact ND2-OG1 3.21Å; N222-T224 PolarHBondContact O-N 2.93Å; N222-T224 PolarHBondContact OD1-N 3.17Å; N222-T224 PolarHBondContact OD1-OG1 3.38Å
225	S	59.2	Low	66.1	Low	23 Å²	23	38.8 Å²	38.8	16%	0.161	22%	0.218	C	C	.	.			trans	-72.6	134.7	-174.2	-168.6	0	0	0	0	112	T35 N222 Q227	T35-S225 WeakPolarHBondContact CG2-O 3.41Å; N222-S225 VanDerWaalsContact O-CB 3.27Å; N222-S225 WeakPolarHBondContact O-CB 3.49Å; N222-S225 PolarHBondContact O-N 2.95Å; S225-Q227 PolarHBondContact O-N 3.02Å; S225-Q227 WeakPolarHBondContact OG-CB 3.4Å; S225-Q227 PolarHBondContact OG-N 3.21Å
226	E	71.5	Confident	65.4	Low	89 Å²	89	42.3 Å²	42.3	42%	0.416	26%	0.255	S	S	.	.	S	Bend	trans	-69.2	11.4	168.7	-69.9	177.7	173.9	0	0	112.2	T35 I201 I202	T35-E226 HydrophobicContact CG2-CB 3.86Å; T35-E226 HydrophobicContact CG2-CG 3.33Å; T35-E226 VanDerWaalsContact CG2-N 3.29Å; I201-E226 CarbonylContact C-O 3.43Å; I201-E226 VanDerWaalsContact CA-O 3.27Å; I201-E226 WeakPolarHBondContact CA-O 3.38Å; I201-E226 HydrophobicContact CG2-CB 4.28Å; I201-E226 WeakPolarHBondContact CG2-O 3.1Å; I202-E226 WeakPolarHBondContact CG1-O 3.47Å; I202-E226 PolarHBondContact N-O 2.02Å
227	Q	75.7	Confident	64.7	Low	63 Å²	63	48.7 Å²	48.7	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.8	-172.6	-48.8	-164.7	29.2	0	0	110.2	G164 L165 Y200 I201 S225	G164-Q227 PolarHBondContact N-O 3Å; L165-Q227 HydrophobicContact CD1-CB 3.87Å; L165-Q227 HydrophobicContact CD1-CG 3.93Å; L165-Q227 HydrophobicContact CD2-CB 3.79Å; L165-Q227 HydrophobicContact CD2-CG 4.43Å; L165-Q227 HydrophobicContact CG-CB 3.58Å; L165-Q227 HydrophobicContact CG-CG 4.2Å; L165-Q227 VanDerWaalsContact CG-OE1 3.27Å; Y200-Q227 CarbonylContact O-C 3.5Å; Y200-Q227 VanDerWaalsContact O-CA 3.27Å; Y200-Q227 WeakPolarHBondContact O-CA 3.39Å; I201-Q227 HydrophobicContact CG1-CG 4.09Å; S225-Q227 PolarHBondContact O-N 3.02Å; S225-Q227 WeakPolarHBondContact OG-CB 3.4Å; S225-Q227 PolarHBondContact OG-N 3.21Å
228	M	77.5	Confident	64.2	Low	3 Å²	3	46.5 Å²	46.5	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.6	-174.8	-67.6	-65	-80.5	0	0	107.8	L32 V161 P163 G164 S199 Y200 I202	L32-M228 HydrophobicContact CB-CE 3.87Å; L32-M228 HydrophobicContact CB-SD 4.32Å; L32-M228 HydrophobicContact CD1-CE 3.23Å; L32-M228 HydrophobicContact CD1-SD 3.38Å; L32-M228 WeakPolarHBondContact CD1-SD 2.99Å; L32-M228 HydrophobicContact CG-CE 3.54Å; L32-M228 HydrophobicContact CG-SD 4.22Å; V161-M228 HydrophobicContact CB-CE 4.46Å; V161-M228 HydrophobicContact CG1-CB 4Å; V161-M228 HydrophobicContact CG1-CE 3.56Å; P163-M228 HydrophobicContact CB-SD 4.37Å; G164-M228 CarbonylContact O-C 3.53Å; S199-M228 CarbonylContact C-O 3.5Å; S199-M228 WeakPolarHBondContact CA-O 3.42Å; S199-M228 WeakPolarHBondContact CB-O 3.04Å; Y200-M228 HydrophobicContact CD1-CB 3.82Å; Y200-M228 HydrophobicContact CD2-CB 4.06Å; Y200-M228 HydrophobicContact CD2-CG 4.38Å; Y200-M228 HydrophobicContact CE1-CB 3.36Å; Y200-M228 HydrophobicContact CE1-CG 4.22Å; Y200-M228 HydrophobicContact CE2-CB 3.66Å; Y200-M228 HydrophobicContact CE2-CG 3.71Å; Y200-M228 HydrophobicContact CG-CB 4.15Å; Y200-M228 PolarHBondContact N-O 2.81Å; Y200-M228 PolarHBondContact O-N 3.47Å; I202-M228 HydrophobicContact CD1-CG 4.15Å; I202-M228 HydrophobicContact CD1-SD 4.34Å; I202-M228 HydrophobicContact CG1-CG 3.61Å; I202-M228 HydrophobicContact CG1-SD 4.42Å
229	T	82.5	Confident	63.1	Low	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.8	173.1	-60	0	0	0	0	108.6	V161 K162 G164 L165 P166 T197 F198 M215 V219	V161-T229 WeakPolarHBondContact CA-O 3.39Å; K162-T229 PolarHBondContact N-O 2.99Å; K162-T229 PolarHBondContact O-N 3.15Å; G164-T229 PolarHBondContact O-N 3.05Å; G164-T229 PolarHBondContact O-OG1 2.95Å; L165-T229 WeakPolarHBondContact CA-OG1 3.44Å; P166-T229 WeakPolarHBondContact CD-OG1 3.36Å; P166-T229 HydrophobicContact CG-CG2 4.14Å; T197-T229 HydrophobicContact CG2-CG2 3.52Å; F198-T229 CarbonylContact O-C 3.5Å; F198-T229 VanDerWaalsContact O-CA 3.32Å; F198-T229 WeakPolarHBondContact O-CA 3.37Å; F198-T229 WeakPolarHBondContact O-CG2 3.24Å; M215-T229 HydrophobicContact CG-CG2 4.36Å; M215-T229 HydrophobicContact SD-CG2 4.31Å; V219-T229 HydrophobicContact CG2-CG2 3.9Å
230	G	81.7	Confident	61.9	Low	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	151.6	171.2	0	0	0	0	0	111.9	V160 T197 F198	V160-G230 CarbonylContact O-C 3.46Å; V160-G230 WeakPolarHBondContact O-CA 3.41Å; T197-G230 CarbonylContact C-O 3.47Å; T197-G230 WeakPolarHBondContact CA-O 3.28Å; T197-G230 WeakPolarHBondContact CG2-O 3.17Å; F198-G230 PolarHBondContact N-O 3.06Å; F198-G230 PolarHBondContact O-N 2.83Å; F198-G230 VanDerWaalsContact O-O 3.09Å
231	G	82.4	Confident	60.7	Low	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	161.8	174.9	0	0	0	0	0	113.5	Y159 V160 L196	Y159-G231 WeakPolarHBondContact CA-O 2.95Å; Y159-G231 VanDerWaalsContact CD1-C 3.45Å; V160-G231 PolarHBondContact N-O 3.05Å; V160-G231 PolarHBondContact O-N 2.53Å; L196-G231 CarbonylContact O-C 3.36Å; L196-G231 WeakPolarHBondContact O-CA 3.28Å
232	K	80	Confident	59.4	Low	20 Å²	20	64.1 Å²	64.1	9%	0.087	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.5	179.9	-67	-173.1	-174	175	0	110.9	M152 T157 Y158 Y159 C195 L196	M152-K232 VanDerWaalsContact CE-C 3.42Å; M152-K232 HydrophobicContact CE-CB 4.17Å; M152-K232 WeakPolarHBondContact CE-O 3.38Å; M152-K232 HydrophobicContact SD-CB 3.94Å; T157-K232 HydrophobicContact CG2-CB 4.33Å; Y158-K232 CarbonylContact O-C 3.51Å; Y158-K232 WeakPolarHBondContact O-CA 3.27Å; Y159-K232 HydrophobicContact CD1-CG 4.1Å; Y159-K232 HydrophobicContact CD2-CG 4.23Å; Y159-K232 HydrophobicContact CE1-CG 3.65Å; Y159-K232 HydrophobicContact CE2-CD 4.28Å; Y159-K232 HydrophobicContact CE2-CG 3.73Å; Y159-K232 HydrophobicContact CG-CG 4.4Å; Y159-K232 VanDerWaalsContact CZ-CG 3.48Å; Y159-K232 WeakPolarHBondContact OH-CE 3.47Å; C195-K232 WeakPolarHBondContact O-CE 3.46Å; C195-K232 PolarHBondContact O-NZ 2.83Å; L196-K232 HydrophobicContact CD2-CD 3.84Å; L196-K232 PolarHBondContact O-N 2.84Å
233	V	74.8	Confident	58.3	Low	25 Å²	25	64.1 Å²	64.1	15%	0.152	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.8	173.6	-179.3	0	0	0	0	108.9	T157 Y158 V160	T157-V233 CarbonylContact C-O 3.49Å; T157-V233 WeakPolarHBondContact CA-O 3.3Å; T157-V233 VanDerWaalsContact CB-O 3.3Å; T157-V233 WeakPolarHBondContact CB-O 3.38Å; Y158-V233 HydrophobicContact CD1-CB 4.45Å; Y158-V233 WeakPolarHBondContact CD1-O 2.97Å; Y158-V233 HydrophobicContact CE1-CB 4Å; Y158-V233 HydrophobicContact CE1-CG1 3.93Å; Y158-V233 HydrophobicContact CE2-CB 4.21Å; Y158-V233 PolarHBondContact N-O 2.98Å; Y158-V233 PolarHBondContact O-N 3.13Å; V160-V233 HydrophobicContact CB-CG2 4.39Å; V160-V233 HydrophobicContact CG1-CB 4.49Å; V160-V233 HydrophobicContact CG1-CG2 4.02Å; V160-V233 HydrophobicContact CG2-CG2 3.53Å
234	C	73.8	Confident	57.1	Low	16 Å²	16	67.4 Å²	67.4	11%	0.108	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.2	-179.5	-64.6	0	0	0	0	113.2	M152 C154 Y158	M152-C234 PolarHBondContact O-SG 2.84Å; C154-C234 HydrophobicContact CB-CB 3.59Å; C154-C234 WeakPolarHBondContact CB-SG 3.27Å; C154-C234 WeakPolarHBondContact SG-CA 2.94Å; C154-C234 WeakPolarHBondContact SG-CB 3.29Å; C154-C234 CovalentContact SG-SG 2.04Å; C154-C234 PolarHBondContact SG-SG 2.89Å; Y158-C234 WeakPolarHBondContact CE1-O 2.95Å
235	C	67.4	Low	56	Low	23 Å²	23	66.4 Å²	66.4	16%	0.155	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	140.1	166.4	-65.5	0	0	0	0	110.5	C142 Q156 T157	C142-C235 WeakPolarHBondContact CA-SG 3.16Å; C142-C235 HydrophobicContact CB-CB 4Å; C142-C235 WeakPolarHBondContact CB-SG 3.2Å; C142-C235 WeakPolarHBondContact SG-CB 2.99Å; C142-C235 CovalentContact SG-SG 2.02Å; C142-C235 PolarHBondContact SG-SG 2.03Å; Q156-C235 HydrophobicContact CB-CB 3.78Å; Q156-C235 WeakPolarHBondContact O-CB 3.45Å; Q156-C235 PolarHBondContact O-N 3.47Å; T157-C235 VanDerWaalsContact C-SG 3.53Å
236	G	54.1	Low	54.4	Low	75 Å²	75	69.6 Å²	69.6	77%	0.773	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-2.8	175	0	0	0	0	0	116.9
237	K	49.1	Very low	52.4	Low	136 Å²	136	69.1 Å²	69.1	59%	0.591	38%	0.382	S	S	*	.	S	Bend	trans	-100.5	2.4	167.7	-76.1	-172.4	178	177.5	0	114.2
238	S	37.5	Very low	50	Low	50 Å²	50	70.5 Å²	70.5	35%	0.35	39%	0.391	S	S	.	.			trans	-113.7	61.4	-172.5	-176.3	0	0	0	0	112.4	Y158	Y158-S238 WeakPolarHBondContact OH-CB 3.3Å
239	T	30.7	Very low	47.6	Very low	135 Å²	135	79.5 Å²	79.5	83%	0.828	43%	0.426	S	S	*	.	S	Bend	trans	-118.8	9.1	168.2	46.6	0	0	0	0	113.6
240	N	29.4	Very low	44.9	Very low	138 Å²	138	83.9 Å²	83.9	74%	0.738	46%	0.456	S	S	*	.	S	Bend	trans	-131.4	134.5	170.1	-107.6	-27.7	0	0	0	111.9	T242	N240-T242 PolarHBondContact O-N 3.01Å
241	R	31.1	Very low	42.2	Very low	250 Å²	250	90.5 Å²	90.5	94%	0.943	49%	0.492	S	S	*	.	S	Bend	trans	-65.7	33.4	-166	-73.7	-177.9	168.1	-177.4	-2.9	116.8
242	T	28.6	Very low	39.6	Very low	107 Å²	107	97.5 Å²	97.5	66%	0.656	53%	0.529	S	S	*	.			trans	-141.6	102.4	172.1	48.3	0	0	0	0	108.1	N240 T244	N240-T242 PolarHBondContact O-N 3.01Å; T242-T244 PolarHBondContact O-N 2.9Å
243	H	32.3	Very low	37.2	Very low	76 Å²	76	108.1 Å²	108.1	35%	0.352	59%	0.587	S	S	.	*			trans	-70.7	72.4	175	-80.7	-103	0	0	0	110.4	L245	H243-L245 PolarHBondContact O-N 2.97Å; H243-L245 VanDerWaalsContact O-N 3.15Å
244	T	26.9	Very low	35.3	Very low	110 Å²	110	112.3 Å²	112.3	68%	0.675	61%	0.609	S	S	*	*			trans	-69.3	101.3	154.7	-48.9	0	0	0	0	105.8	T242 C246	T242-T244 PolarHBondContact O-N 2.9Å; T244-C246 VanDerWaalsContact C-N 3.31Å; T244-C246 PolarHBondContact O-N 3.16Å
245	L	30.4	Very low	33.2	Very low	56 Å²	56	117.4 Å²	117.4	29%	0.293	64%	0.635	S	S	.	*			trans	-59.1	97.7	170	-119.3	91	0	0	0	107.8	M215 H243 I247	M215-L245 WeakPolarHBondContact O-CD2 3.38Å; H243-L245 PolarHBondContact O-N 2.97Å; H243-L245 VanDerWaalsContact O-N 3.15Å; L245-I247 VanDerWaalsContact C-N 3.26Å; L245-I247 HydrophobicContact CD2-CD1 4.39Å; L245-I247 PolarHBondContact O-N 3.25Å
246	C	24.9	Very low	31.3	Very low	90 Å²	90	122.6 Å²	122.6	61%	0.608	66%	0.662	S	S	*	*			trans	-68.6	87.6	167.4	-80	0	0	0	0	108.6	T244	T244-C246 VanDerWaalsContact C-N 3.31Å; T244-C246 PolarHBondContact O-N 3.16Å
247	I	30.3	Very low	30	Very low	78 Å²	78	125.4 Å²	125.4	40%	0.4	66%	0.655	S	S	.	*			trans	-89.5	109.6	152.9	-62.1	-179.7	0	0	0	105.9	G216 L245 Y249	G216-I247 VanDerWaalsContact CA-CD1 3.45Å; L245-I247 VanDerWaalsContact C-N 3.26Å; L245-I247 HydrophobicContact CD2-CD1 4.39Å; L245-I247 PolarHBondContact O-N 3.25Å; I247-Y249 HydrophobicContact CG2-CD2 4.16Å; I247-Y249 HydrophobicContact CG2-CE2 4.27Å; I247-Y249 PolarHBondContact O-N 3Å; I247-Y249 VanDerWaalsContact O-N 3.09Å
248	I	25.5	Very low	28.8	Very low	93 Å²	93	124.8 Å²	124.8	48%	0.477	66%	0.659	S	S	.	*			trans	-69.9	100	169.9	-64.6	164.7	0	0	0	106.1	S250	I248-S250 PolarHBondContact O-N 3.48Å
249	Y	26.8	Very low	28.2	Very low	191 Å²	191	129.7 Å²	129.7	75%	0.749	68%	0.68	S	S	*	*			trans	-76.7	99.7	154.9	-92.3	-87.3	0	0	0	106.9	I247 N251	I247-Y249 HydrophobicContact CG2-CD2 4.16Å; I247-Y249 HydrophobicContact CG2-CE2 4.27Å; I247-Y249 PolarHBondContact O-N 3Å; I247-Y249 VanDerWaalsContact O-N 3.09Å; Y249-N251 PolarHBondContact O-N 3.45Å
250	S	24.3	Very low	28.1	Very low	93 Å²	93	129.4 Å²	129.4	65%	0.65	67%	0.669	S	S	*	*			trans	-83.3	87.6	157.7	176.9	0	0	0	0	107.4	I248	I248-S250 PolarHBondContact O-N 3.48Å
251	N	25.3	Very low	28	Very low	138 Å²	138	128.7 Å²	128.7	74%	0.738	66%	0.664	S	S	*	*			trans	-100.2	93.4	157.6	-92.2	1.5	0	0	0	107	Y249	Y249-N251 PolarHBondContact O-N 3.45Å
252	N	28.5	Very low	27.7	Very low	147 Å²	147	118.6 Å²	118.6	79%	0.786	64%	0.641	S	S	*	*			trans	-128.1	104.5	158.1	-86.7	-19	0	0	0	106
253	N	28.5	Very low	27.6	Very low	244 Å²	244	119.6 Å²	119.6	100%	1.305	64%	0.639	S	S	*	*			trans	46.9	0	166.3	-63.3	-16.7	0	0	0	119

Retrieved 253 of 253 residues in 814.5 ms (Link to these results)

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