A0A077Z411_TRITR Loading...

DNA oxidative demethylase ALKBH2

AlphaFold DB , UniProt , Accession A0A077Z411, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	46.4	Very low	230 Å²	230	139.6 Å²	139.6	100%	1.133	76%	0.761	S	S	*	*				0	91.9	0	-168.6	172.8	-173.6	0	0	107.2
2	Y	36.6	Very low	49.4	Very low	234 Å²	234	131.3 Å²	131.3	92%	0.918	71%	0.714	S	S	*	*			trans	-92.1	112.2	172.3	-118.5	-93.5	0	0	0	106.2	A4	Y2-A4 PolarHBondContact O-N 3.03Å; Y2-A4 VanDerWaalsContact O-N 3.09Å
3	I	38.5	Very low	52.8	Low	144 Å²	144	124.7 Å²	124.7	74%	0.738	68%	0.684	S	S	*	*			trans	-71.6	102.6	172.6	-60.1	176	0	0	0	105.2	G5	I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 2.71Å
4	A	44.6	Very low	55.9	Low	88 Å²	88	120.1 Å²	120.1	73%	0.727	66%	0.663	S	S	*	*			trans	-64.1	99.7	166.7	0	0	0	0	0	106.4	Y2 R6	Y2-A4 PolarHBondContact O-N 3.03Å; Y2-A4 VanDerWaalsContact O-N 3.09Å; A4-R6 PolarHBondContact O-N 2.86Å
5	G	38.5	Very low	58.6	Low	67 Å²	67	117.9 Å²	117.9	69%	0.691	66%	0.659	S	S	*	*			trans	-55.5	107.7	162.3	0	0	0	0	0	106.4	I3 S7	I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 2.71Å; G5-S7 PolarHBondContact O-N 2.95Å
6	R	40.7	Very low	61.1	Low	223 Å²	223	116.4 Å²	116.4	84%	0.842	65%	0.645	S	S	*	*			trans	-62	97.2	158.9	-71.1	-175.7	179.3	-146.3	0.3	104.2	A4 D8	A4-R6 PolarHBondContact O-N 2.86Å; R6-D8 VanDerWaalsContact C-N 3.27Å; R6-D8 PolarHBondContact O-N 2.94Å
7	S	46	Very low	63.2	Low	94 Å²	94	109.6 Å²	109.6	66%	0.657	61%	0.608	S	S	*	*			trans	-61.8	107.4	155.2	55.9	0	0	0	0	103.9	G5 S9	G5-S7 PolarHBondContact O-N 2.95Å; S7-S9 PolarHBondContact O-N 2.9Å
8	D	45.5	Very low	65.2	Low	147 Å²	147	105.2 Å²	105.2	79%	0.786	58%	0.583	S	S	*	*			trans	-64.8	69.7	161.5	-65.2	-37	0	0	0	106.5	R6 I10	R6-D8 VanDerWaalsContact C-N 3.27Å; R6-D8 PolarHBondContact O-N 2.94Å; D8-I10 VanDerWaalsContact C-N 3.3Å; D8-I10 PolarHBondContact O-N 2.93Å
9	S	54.4	Low	66.9	Low	72 Å²	72	102.6 Å²	102.6	50%	0.503	58%	0.577	S	S	.	*			trans	-67.4	100.8	169.7	53.6	0	0	0	0	104.3	S7 S11	S7-S9 PolarHBondContact O-N 2.9Å; S9-S11 PolarHBondContact O-N 3.09Å
10	I	56.2	Low	68.5	Low	152 Å²	152	100.5 Å²	100.5	78%	0.779	56%	0.562	S	S	*	*			trans	-46.9	108.5	165.7	-63.8	169.3	0	0	0	105.5	D8 I12	D8-I10 VanDerWaalsContact C-N 3.3Å; D8-I10 PolarHBondContact O-N 2.93Å; I10-I12 PolarHBondContact O-N 3.18Å
11	S	70.8	Confident	69.9	Low	85 Å²	85	95.7 Å²	95.7	59%	0.594	54%	0.535	S	S	*	.			trans	-62	105.7	175.9	154.7	0	0	0	0	106.2	S9	S9-S11 PolarHBondContact O-N 3.09Å
12	I	82.7	Confident	72.7	Confident	39 Å²	39	92.1 Å²	92.1	20%	0.2	51%	0.513	C	S	.	.			trans	-66.8	133.8	177.3	-63	-171.9	0	0	0	107.3	I10 E16 I17 S56	I10-I12 PolarHBondContact O-N 3.18Å; I12-E16 HydrophobicContact CG2-CB 3.5Å; I12-E16 VanDerWaalsContact CG2-CD 3.48Å; I12-E16 HydrophobicContact CG2-CG 3.49Å; I12-E16 VanDerWaalsContact CG2-CG 3.49Å; I12-I17 HydrophobicContact CB-CG1 4.3Å; I12-I17 HydrophobicContact CG2-CG1 3.85Å; I12-S56 WeakPolarHBondContact CD1-OG 3.49Å
13	S	93.2	Very high	75.6	Confident	46 Å²	46	85 Å²	85	32%	0.322	50%	0.502	S	S	.	.			trans	-64.1	155.7	-179	75.9	0	0	0	0	111.2	S15 E16 I17	S13-S15 PolarHBondContact O-N 2.91Å; S13-S15 PolarHBondContact OG-OG 3.21Å; S13-E16 PolarHBondContact O-N 3.03Å; S13-E16 VanDerWaalsContact O-N 3.09Å; S13-E16 WeakPolarHBondContact OG-CB 3.49Å; S13-E16 PolarHBondContact OG-N 2.95Å; S13-I17 PolarHBondContact O-N 3.09Å
14	P	95.8	Very high	78.5	Confident	61 Å²	61	79.2 Å²	79.2	40%	0.396	47%	0.473	S	S	.	.	H	α-helix	trans	-58.1	-35.2	176.2	-24	34.7	0	0	0	112.5	I17 I18 Y60 V113	P14-I17 PolarHBondContact O-N 3.31Å; P14-I18 WeakPolarHBondContact O-CD1 3.36Å; P14-I18 WeakPolarHBondContact O-CG1 3.35Å; P14-I18 PolarHBondContact O-N 3.5Å; P14-Y60 HydrophobicContact CB-CD2 4.46Å; P14-Y60 HydrophobicContact CB-CE2 3.86Å; P14-Y60 HydrophobicContact CG-CD2 4.09Å; P14-Y60 HydrophobicContact CG-CE2 3.58Å; P14-V113 HydrophobicContact CB-CG2 4.23Å
15	S	97.3	Very high	80.9	Confident	86 Å²	86	78.8 Å²	78.8	60%	0.601	46%	0.463	S	S	*	.	H	α-helix	trans	-66.6	-36.7	177.5	54.9	0	0	0	0	112.8	S13 I18 A19	S13-S15 PolarHBondContact O-N 2.91Å; S13-S15 PolarHBondContact OG-OG 3.21Å; S15-I18 PolarHBondContact O-N 2.67Å; S15-A19 WeakPolarHBondContact O-CB 3.43Å; S15-A19 PolarHBondContact O-N 3.31Å
16	E	97.4	Very high	83.5	Confident	94 Å²	94	79.3 Å²	79.3	44%	0.439	45%	0.449	S	S	.	.	H	α-helix	trans	-73.1	-38.9	176.5	-176.6	178.5	172.4	0	0	111.6	I12 S13 I18 A19 Q20	I12-E16 HydrophobicContact CG2-CB 3.5Å; I12-E16 VanDerWaalsContact CG2-CD 3.48Å; I12-E16 HydrophobicContact CG2-CG 3.49Å; I12-E16 VanDerWaalsContact CG2-CG 3.49Å; S13-E16 PolarHBondContact O-N 3.03Å; S13-E16 VanDerWaalsContact O-N 3.09Å; S13-E16 WeakPolarHBondContact OG-CB 3.49Å; S13-E16 PolarHBondContact OG-N 2.95Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 2.88Å; E16-A19 PolarHBondContact O-N 3.33Å; E16-Q20 WeakPolarHBondContact O-CG 3.4Å; E16-Q20 PolarHBondContact O-N 2.97Å
17	I	98.2	Very high	85.8	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	43%	0.428	C	S	.	.	H	α-helix	trans	-57	-47.9	170.7	-66.7	174.3	0	0	0	110.4	I12 S13 P14 A19 Q20 I21 L53 I57 Y60 V113	I12-I17 HydrophobicContact CB-CG1 4.3Å; I12-I17 HydrophobicContact CG2-CG1 3.85Å; S13-I17 PolarHBondContact O-N 3.09Å; P14-I17 PolarHBondContact O-N 3.31Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 2.9Å; I17-Q20 PolarHBondContact O-N 2.61Å; I17-I21 HydrophobicContact CG2-CD1 3.85Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.04Å; I17-L53 HydrophobicContact CG2-CD1 4.17Å; I17-I57 HydrophobicContact CG2-CD1 4.4Å; I17-I57 HydrophobicContact CG2-CG1 3.58Å; I17-Y60 HydrophobicContact CD1-CD2 4.39Å; I17-Y60 HydrophobicContact CD1-CG 4.11Å; I17-V113 HydrophobicContact CB-CG2 4.4Å; I17-V113 HydrophobicContact CG2-CG1 3.64Å; I17-V113 HydrophobicContact CG2-CG2 4.11Å
18	I	98.5	Very high	87.7	Confident	30 Å²	30	74.6 Å²	74.6	15%	0.154	43%	0.429	C	S	.	.	H	α-helix	trans	-60.8	-42.8	178.3	-69.8	162.3	0	0	0	111.1	P14 S15 E16 I21 K22 Q112 V113 A116	P14-I18 WeakPolarHBondContact O-CD1 3.36Å; P14-I18 WeakPolarHBondContact O-CG1 3.35Å; P14-I18 PolarHBondContact O-N 3.5Å; S15-I18 PolarHBondContact O-N 2.67Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 2.88Å; I18-I21 PolarHBondContact O-N 3.44Å; I18-K22 HydrophobicContact CG2-CD 4.11Å; I18-K22 WeakPolarHBondContact O-CG 3.46Å; I18-K22 PolarHBondContact O-N 3.38Å; I18-Q112 HydrophobicContact CD1-CB 3.79Å; I18-V113 HydrophobicContact CD1-CG2 4.35Å; I18-V113 HydrophobicContact CG1-CG2 4.07Å; I18-A116 HydrophobicContact CB-CB 4.47Å; I18-A116 HydrophobicContact CG1-CB 4.15Å; I18-A116 HydrophobicContact CG2-CB 4.1Å
19	A	98.3	Very high	89.5	Confident	57 Å²	57	68 Å²	68	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177.4	0	0	0	0	0	111.8	S15 E16 I17 K22 A23	S15-A19 WeakPolarHBondContact O-CB 3.43Å; S15-A19 PolarHBondContact O-N 3.31Å; E16-A19 PolarHBondContact O-N 3.33Å; I17-A19 VanDerWaalsContact C-N 3.33Å; I17-A19 PolarHBondContact O-N 2.9Å; A19-K22 PolarHBondContact O-N 3.17Å; A19-A23 WeakPolarHBondContact O-CB 3.35Å; A19-A23 PolarHBondContact O-N 3.21Å
20	Q	98.1	Very high	91	Very high	59 Å²	59	71.9 Å²	71.9	28%	0.276	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176.5	-71	-176.7	38.9	0	0	112.2	E16 I17 K22 A23 L24 L53	E16-Q20 WeakPolarHBondContact O-CG 3.4Å; E16-Q20 PolarHBondContact O-N 2.97Å; I17-Q20 PolarHBondContact O-N 2.61Å; Q20-K22 PolarHBondContact O-N 3.06Å; Q20-A23 PolarHBondContact O-N 3.49Å; Q20-L24 PolarHBondContact O-N 2.66Å; Q20-L53 HydrophobicContact CB-CD1 3.8Å; Q20-L53 HydrophobicContact CB-CD2 4.16Å
21	I	98.3	Very high	92.4	Very high	1 Å²	1	69 Å²	69	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-59.8	-46.4	175.1	-67.5	161.8	0	0	0	110.6	I17 I18 A23 L24 L53 I57 V113 A116 L117 H120	I17-I21 HydrophobicContact CG2-CD1 3.85Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.04Å; I18-I21 PolarHBondContact O-N 3.44Å; I21-A23 PolarHBondContact O-N 3.3Å; I21-L24 WeakPolarHBondContact O-CB 3.32Å; I21-L24 PolarHBondContact O-N 2.98Å; I21-L53 HydrophobicContact CG1-CD1 4.35Å; I21-L53 HydrophobicContact CG1-CD2 4.11Å; I21-I57 HydrophobicContact CD1-CD1 4.18Å; I21-I57 HydrophobicContact CG1-CD1 4.34Å; I21-V113 HydrophobicContact CD1-CG1 4.12Å; I21-A116 HydrophobicContact CB-CB 4.39Å; I21-A116 HydrophobicContact CD1-CB 4.09Å; I21-A116 HydrophobicContact CG2-CB 4.11Å; I21-A116 WeakPolarHBondContact CG2-O 3.48Å; I21-L117 HydrophobicContact CD1-CD2 3.74Å; I21-L117 HydrophobicContact CD1-CG 3.86Å; I21-L117 HydrophobicContact CG1-CD2 4.04Å; I21-L117 HydrophobicContact CG2-CD2 4.38Å; I21-H120 HydrophobicContact CG2-CB 3.86Å; I21-H120 PolarHBondContact O-CD2 2.65Å
22	K	97.8	Very high	93.1	Very high	154 Å²	154	67.7 Å²	67.7	67%	0.67	38%	0.382	S	S	*	.	H	α-helix	trans	-66.2	-25	179.8	-72.5	178.2	177.9	-178	0	113.4	I18 A19 Q20	I18-K22 HydrophobicContact CG2-CD 4.11Å; I18-K22 WeakPolarHBondContact O-CG 3.46Å; I18-K22 PolarHBondContact O-N 3.38Å; A19-K22 PolarHBondContact O-N 3.17Å; Q20-K22 PolarHBondContact O-N 3.06Å
23	A	97.7	Very high	92.9	Very high	84 Å²	84	70.3 Å²	70.3	69%	0.694	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.9	178.2	0	0	0	0	0	113.6	A19 Q20 I21	A19-A23 WeakPolarHBondContact O-CB 3.35Å; A19-A23 PolarHBondContact O-N 3.21Å; Q20-A23 PolarHBondContact O-N 3.49Å; I21-A23 PolarHBondContact O-N 3.3Å
24	L	97.5	Very high	92	Very high	24 Å²	24	69.4 Å²	69.4	13%	0.126	40%	0.402	C	S	.	.	S	Bend	trans	-65	142.2	176.6	-70.7	175.5	0	0	0	110.9	Q20 I21 L49 P50 L53 H120	Q20-L24 PolarHBondContact O-N 2.66Å; I21-L24 WeakPolarHBondContact O-CB 3.32Å; I21-L24 PolarHBondContact O-N 2.98Å; L24-L49 HydrophobicContact CD1-CD2 3.54Å; L24-P50 VanDerWaalsContact CD2-CD 3.47Å; L24-P50 HydrophobicContact CD2-CG 3.75Å; L24-L53 HydrophobicContact CD1-CD2 3.85Å; L24-L53 HydrophobicContact CD2-CD2 4.17Å; L24-L53 HydrophobicContact CG-CD2 4.17Å; L24-H120 WeakPolarHBondContact CB-NE2 3.4Å; L24-H120 PolarHBondContact O-NE2 3.11Å
25	P	96	Very high	91.2	Very high	78 Å²	78	74.7 Å²	74.7	51%	0.506	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-69.6	142.2	169.8	29.8	-33.8	0	0	0	110	R27	P25-R27 PolarHBondContact O-N 2.85Å
26	I	93.7	Very high	90.5	Very high	78 Å²	78	72.9 Å²	72.9	40%	0.4	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.3	124.8	174.7	-55.7	-49.5	0	0	0	109.6	Q123	I26-Q123 HydrophobicContact CD1-CB 3.66Å; I26-Q123 VanDerWaalsContact CD1-OE1 3.26Å; I26-Q123 HydrophobicContact CG1-CB 4.25Å
27	R	87.9	Confident	89.9	Confident	109 Å²	109	70.1 Å²	70.1	41%	0.411	40%	0.403	S	S	.	.			trans	-122.4	111	179.9	-68	178.8	-178.6	-169.9	-2.5	109.3	P25 C47 S124	P25-R27 PolarHBondContact O-N 2.85Å; R27-C47 PolarHBondContact NH1-O 2.71Å; R27-S124 WeakPolarHBondContact O-CB 3.42Å
28	T	86	Confident	89.3	Confident	110 Å²	110	78.1 Å²	78.1	68%	0.675	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-71.4	134.3	171.2	-50	0	0	0	0	109.3	E30	T28-E30 PolarHBondContact O-N 3.09Å
29	A	83.5	Confident	89.1	Confident	8 Å²	8	78 Å²	78	7%	0.066	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-70.4	126.7	175.2	0	0	0	0	0	111.2	A43 V45 V200	A29-A43 HydrophobicContact CB-CB 3.59Å; A29-V45 VanDerWaalsContact CA-CG2 3.42Å; A29-V45 HydrophobicContact CB-CG2 3.66Å; A29-V200 HydrophobicContact CB-CG2 3.76Å
30	E	85.2	Confident	89	Confident	153 Å²	153	75.6 Å²	75.6	72%	0.715	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.5	175.3	-67.1	-176.6	178.3	0	0	110.1	T28 I32 A43 Y44	T28-E30 PolarHBondContact O-N 3.09Å; E30-I32 PolarHBondContact O-N 3.33Å; E30-A43 CarbonylContact O-C 3.53Å; E30-A43 WeakPolarHBondContact O-CA 3.41Å; E30-A43 WeakPolarHBondContact O-CB 3.47Å; E30-Y44 PolarHBondContact O-N 2.98Å
31	P	86.7	Confident	88.9	Confident	91 Å²	91	75.6 Å²	75.6	59%	0.591	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.6	135.9	171.9	-22.5	33.1	0	0	0	111.1	A33 I42	P31-A33 PolarHBondContact O-N 3.12Å; P31-I42 WeakPolarHBondContact CA-O 3.37Å
32	I	85.8	Confident	88.8	Confident	58 Å²	58	75.6 Å²	75.6	30%	0.297	43%	0.427	S	S	.	.			trans	-84.7	111.6	165.5	-62.6	171.7	0	0	0	106.4	E30 T34 I42 Y44 M191	E30-I32 PolarHBondContact O-N 3.33Å; I32-T34 HydrophobicContact CG2-CG2 3.8Å; I32-T34 PolarHBondContact O-N 3.4Å; I32-T34 VanDerWaalsContact O-N 3.14Å; I32-I42 HydrophobicContact CB-CD1 4.44Å; I32-I42 HydrophobicContact CB-CG1 4.17Å; I32-I42 HydrophobicContact CD1-CD1 4.15Å; I32-I42 HydrophobicContact CD1-CG1 4.45Å; I32-I42 PolarHBondContact N-O 3.27Å; I32-Y44 VanDerWaalsContact CD1-CB 3.45Å; I32-Y44 HydrophobicContact CD1-CG 4.29Å; I32-M191 HydrophobicContact CD1-CE 3.25Å; I32-M191 HydrophobicContact CD1-SD 3.97Å
33	A	78.1	Confident	88.8	Confident	94 Å²	94	68.3 Å²	68.3	78%	0.777	40%	0.395	S	S	*	.			trans	-64.7	113.1	163.5	0	0	0	0	0	108	P31	P31-A33 PolarHBondContact O-N 3.12Å
34	T	73.6	Confident	88.7	Confident	27 Å²	27	66.2 Å²	66.2	17%	0.166	37%	0.369	C	S	.	.			trans	-105.4	124.8	167	66.5	0	0	0	0	107.4	I32 V36 L40 V189	I32-T34 HydrophobicContact CG2-CG2 3.8Å; I32-T34 PolarHBondContact O-N 3.4Å; I32-T34 VanDerWaalsContact O-N 3.14Å; T34-V36 PolarHBondContact O-N 2.76Å; T34-L40 HydrophobicContact CG2-CD2 3.98Å; T34-V189 HydrophobicContact CG2-CG1 4.39Å
35	D	79.6	Confident	88.6	Confident	173 Å²	173	66.1 Å²	66.1	93%	0.925	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	27.4	174.1	-57.7	-39.2	0	0	0	112.5
36	V	82.4	Confident	88.6	Confident	48 Å²	48	67.1 Å²	67.1	29%	0.291	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-47.2	-163.4	178.6	0	0	0	0	111.2	T34 P186 N187 V189 W209	T34-V36 PolarHBondContact O-N 2.76Å; V36-P186 HydrophobicContact CG1-CB 3.69Å; V36-P186 WeakPolarHBondContact O-CB 3.41Å; V36-N187 VanDerWaalsContact CG1-O 3.28Å; V36-N187 WeakPolarHBondContact CG1-O 3.34Å; V36-V189 HydrophobicContact CB-CG2 4.1Å; V36-V189 HydrophobicContact CG1-CG2 3.91Å; V36-V189 HydrophobicContact CG2-CG2 3.86Å; V36-W209 HydrophobicContact CG1-CH2 3.68Å; V36-W209 HydrophobicContact CG1-CZ2 4.25Å
37	S	85.2	Confident	88.6	Confident	35 Å²	35	67.2 Å²	67.2	25%	0.245	38%	0.375	C	S	.	.			trans	-170.4	143.9	176.5	-173.1	0	0	0	0	111.5	D39 L40	S37-D39 VanDerWaalsContact CB-OD1 3.29Å; S37-D39 WeakPolarHBondContact CB-OD1 3.48Å; S37-D39 PolarHBondContact O-N 2.8Å; S37-D39 VanDerWaalsContact OG-CG 3.23Å; S37-D39 PolarHBondContact OG-N 3.45Å; S37-D39 PolarHBondContact OG-OD1 3.36Å; S37-L40 PolarHBondContact O-N 3.45Å
38	D	86	Confident	89.1	Confident	169 Å²	169	62.2 Å²	62.2	90%	0.904	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.3	175	-62.6	-30.9	0	0	0	113.2	L40	D38-L40 VanDerWaalsContact C-N 3.32Å
39	D	94.2	Very high	89.7	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.144	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.1	177.8	67.3	9.9	0	0	0	114.1	S37 N41 H175 P204 T205 H208 W209	S37-D39 VanDerWaalsContact CB-OD1 3.29Å; S37-D39 WeakPolarHBondContact CB-OD1 3.48Å; S37-D39 PolarHBondContact O-N 2.8Å; S37-D39 VanDerWaalsContact OG-CG 3.23Å; S37-D39 PolarHBondContact OG-N 3.45Å; S37-D39 PolarHBondContact OG-OD1 3.36Å; D39-N41 PolarHBondContact O-N 2.93Å; D39-H175 IonicContact OD1-CD2 3.24Å; D39-H175 IonicContact OD1-NE2 3.23Å; D39-H175 IonicContact OD2-CD2 3.66Å; D39-H175 IonicContact OD2-NE2 3.96Å; D39-H175 PolarHBondContact OD2-NE2 2.98Å; D39-P204 HydrophobicContact CB-CG 4.08Å; D39-T205 WeakPolarHBondContact O-CA 3.18Å; D39-H208 HydrophobicContact CB-CB 4.23Å; D39-H208 WeakPolarHBondContact OD2-CB 3.17Å; D39-H208 IonicContact OD2-CE1 3.31Å; D39-H208 IonicContact OD2-CG 3.35Å; D39-H208 VanDerWaalsContact OD2-CG 3.24Å; D39-H208 IonicContact OD2-ND1 3.65Å; D39-H208 PolarHBondContact OD2-ND1 3.07Å; D39-W209 PolarHBondContact OD1-NE1 3.25Å
40	L	96.3	Very high	90.3	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	34%	0.339	C	S	.	.			trans	-94.5	76.9	168.1	-173.6	56.6	0	0	0	110.5	T34 S37 D38 I42 F173 V189 T205 W209	T34-L40 HydrophobicContact CG2-CD2 3.98Å; S37-L40 PolarHBondContact O-N 3.45Å; D38-L40 VanDerWaalsContact C-N 3.32Å; L40-I42 HydrophobicContact CD1-CD1 4.36Å; L40-I42 HydrophobicContact CD1-CG2 3.89Å; L40-I42 HydrophobicContact CD2-CD1 4.43Å; L40-I42 HydrophobicContact CG-CD1 4.22Å; L40-I42 HydrophobicContact CG-CG1 4.3Å; L40-I42 HydrophobicContact CG-CG2 4.46Å; L40-I42 PolarHBondContact O-N 2.99Å; L40-F173 HydrophobicContact CD1-CB 4.45Å; L40-F173 HydrophobicContact CD1-CD1 3.83Å; L40-F173 HydrophobicContact CD1-CE1 4.15Å; L40-F173 HydrophobicContact CD1-CG 4.07Å; L40-V189 HydrophobicContact CD2-CB 3.93Å; L40-V189 HydrophobicContact CD2-CG1 4.25Å; L40-V189 HydrophobicContact CD2-CG2 3.53Å; L40-T205 HydrophobicContact CD1-CG2 3.75Å; L40-W209 HydrophobicContact CB-CD2 4.4Å; L40-W209 HydrophobicContact CB-CZ2 4.04Å; L40-W209 HydrophobicContact CD1-CB 4.5Å; L40-W209 HydrophobicContact CD1-CD2 4.02Å; L40-W209 HydrophobicContact CD1-CG 3.97Å; L40-W209 HydrophobicContact CD2-CH2 4.36Å; L40-W209 HydrophobicContact CD2-CZ2 4.34Å; L40-W209 HydrophobicContact CD2-CZ3 4.48Å
41	N	95.8	Very high	90.9	Very high	59 Å²	59	58.7 Å²	58.7	32%	0.316	33%	0.333	S	S	.	.			trans	-90.9	90.4	-179.1	-173.1	1	0	0	0	111.2	D39 K202 P203 T205	D39-N41 PolarHBondContact O-N 2.93Å; N41-K202 HydrophobicContact CB-CB 4.22Å; N41-K202 WeakPolarHBondContact ND2-CB 3.47Å; N41-K202 WeakPolarHBondContact O-CB 3.37Å; N41-K202 PolarHBondContact O-N 3.1Å; N41-P203 PolarHBondContact ND2-O 3.49Å; N41-T205 WeakPolarHBondContact CA-OG1 3.46Å; N41-T205 PolarHBondContact N-OG1 3.23Å; N41-T205 PolarHBondContact O-OG1 3.44Å
42	I	96.6	Very high	91.4	Very high	2 Å²	2	58 Å²	58	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.4	-178.7	59.8	173.6	0	0	0	111.5	P31 I32 L40 F173 M191 L199 V200 M201 T205	P31-I42 WeakPolarHBondContact CA-O 3.37Å; I32-I42 HydrophobicContact CB-CD1 4.44Å; I32-I42 HydrophobicContact CB-CG1 4.17Å; I32-I42 HydrophobicContact CD1-CD1 4.15Å; I32-I42 HydrophobicContact CD1-CG1 4.45Å; I32-I42 PolarHBondContact N-O 3.27Å; L40-I42 HydrophobicContact CD1-CD1 4.36Å; L40-I42 HydrophobicContact CD1-CG2 3.89Å; L40-I42 HydrophobicContact CD2-CD1 4.43Å; L40-I42 HydrophobicContact CG-CD1 4.22Å; L40-I42 HydrophobicContact CG-CG1 4.3Å; L40-I42 HydrophobicContact CG-CG2 4.46Å; L40-I42 PolarHBondContact O-N 2.99Å; I42-F173 HydrophobicContact CD1-CE2 4.16Å; I42-F173 HydrophobicContact CD1-CZ 4.46Å; I42-F173 HydrophobicContact CG2-CE1 4.33Å; I42-F173 HydrophobicContact CG2-CZ 4.04Å; I42-M191 HydrophobicContact CD1-SD 3.51Å; I42-M191 VanDerWaalsContact CD1-SD 3.51Å; I42-L199 HydrophobicContact CB-CD1 4.26Å; I42-V200 CarbonylContact C-O 3.59Å; I42-V200 VanDerWaalsContact CA-O 3.3Å; I42-V200 WeakPolarHBondContact CA-O 3.22Å; I42-M201 HydrophobicContact CG2-CG 4.24Å; I42-T205 HydrophobicContact CG2-CG2 4.11Å
43	A	96.3	Very high	92	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.9	173	0	0	0	0	0	110.3	A29 E30 V200	A29-A43 HydrophobicContact CB-CB 3.59Å; E30-A43 CarbonylContact O-C 3.53Å; E30-A43 WeakPolarHBondContact O-CA 3.41Å; E30-A43 WeakPolarHBondContact O-CB 3.47Å; A43-V200 HydrophobicContact CB-CB 4.26Å; A43-V200 PolarHBondContact N-O 3.15Å; A43-V200 PolarHBondContact O-N 3.04Å
44	Y	96.3	Very high	93	Very high	40 Å²	40	50.9 Å²	50.9	16%	0.157	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	135.3	-173.7	-175.8	-114.2	0	0	0	112.6	E30 I32 Q46 M191 K192 L193 D194 S197 L198 L199	E30-Y44 PolarHBondContact O-N 2.98Å; I32-Y44 VanDerWaalsContact CD1-CB 3.45Å; I32-Y44 HydrophobicContact CD1-CG 4.29Å; Y44-Q46 HydrophobicContact CD1-CB 4.45Å; Y44-Q46 HydrophobicContact CE1-CB 3.75Å; Y44-Q46 HydrophobicContact CE1-CG 4.18Å; Y44-M191 HydrophobicContact CD1-CE 4.38Å; Y44-M191 HydrophobicContact CD2-CE 3.94Å; Y44-M191 HydrophobicContact CG-CE 3.87Å; Y44-K192 PolarHBondContact OH-O 2.8Å; Y44-L193 HydrophobicContact CE2-CD2 4.02Å; Y44-D194 WeakPolarHBondContact OH-CB 3.17Å; Y44-D194 PolarHBondContact OH-N 3.49Å; Y44-D194 PolarHBondContact OH-OD2 3.41Å; Y44-S197 WeakPolarHBondContact OH-CB 3.34Å; Y44-S197 PolarHBondContact OH-OG 3.04Å; Y44-L198 WeakPolarHBondContact CA-O 3.36Å; Y44-L198 WeakPolarHBondContact CD2-O 3.49Å; Y44-L199 HydrophobicContact CD2-CB 4.1Å
45	V	96	Very high	94.1	Very high	22 Å²	22	52.7 Å²	52.7	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	108	171.2	-172.7	0	0	0	0	108	A29 Y48 S197 L198	A29-V45 VanDerWaalsContact CA-CG2 3.42Å; A29-V45 HydrophobicContact CB-CG2 3.66Å; V45-Y48 HydrophobicContact CB-CD2 4.32Å; V45-Y48 HydrophobicContact CG1-CD2 4.3Å; V45-S197 CarbonylContact O-C 3.49Å; V45-S197 VanDerWaalsContact O-CA 3.26Å; V45-S197 WeakPolarHBondContact O-CA 3.49Å; V45-S197 WeakPolarHBondContact O-CB 3.27Å; V45-L198 PolarHBondContact N-O 2.87Å; V45-L198 PolarHBondContact O-N 3.03Å
46	Q	95.2	Very high	95	Very high	100 Å²	100	45.6 Å²	45.6	47%	0.467	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-44.9	-176.1	-172	173	34.9	0	0	112.6	Y44 D194 S197	Y44-Q46 HydrophobicContact CD1-CB 4.45Å; Y44-Q46 HydrophobicContact CE1-CB 3.75Å; Y44-Q46 HydrophobicContact CE1-CG 4.18Å; Q46-D194 HydrophobicContact CG-CB 3.92Å; Q46-D194 WeakPolarHBondContact CG-OD2 3.44Å; Q46-D194 VanDerWaalsContact NE2-CG 3.29Å; Q46-D194 PolarHBondContact NE2-OD1 2.82Å; Q46-D194 PolarHBondContact NE2-OD2 2.71Å; Q46-S197 VanDerWaalsContact O-CA 3.31Å; Q46-S197 WeakPolarHBondContact O-CA 3.42Å; Q46-S197 VanDerWaalsContact O-CB 3.27Å; Q46-S197 WeakPolarHBondContact O-CB 3.26Å
47	C	94.6	Very high	95.8	Very high	80 Å²	80	43.3 Å²	43.3	54%	0.541	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	55.9	-179.7	-60.2	0	0	0	0	110	R27	R27-C47 PolarHBondContact NH1-O 2.71Å
48	Y	97.7	Very high	96.4	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	24%	0.235	C	C	.	.	S	Bend	trans	-64.8	-45.5	179.6	-178.6	-107.7	0	0	0	110.9	V45 H120 I121 S124 L163 G196 L198	V45-Y48 HydrophobicContact CB-CD2 4.32Å; V45-Y48 HydrophobicContact CG1-CD2 4.3Å; Y48-H120 AromaticContact CE1-ND1 3.98Å; Y48-H120 AromaticContact CZ-CE1 3.82Å; Y48-H120 AromaticContact CZ-ND1 3.45Å; Y48-H120 PolarHBondContact OH-CE1 3.12Å; Y48-H120 PolarHBondContact OH-ND1 3.23Å; Y48-H120 PolarHBondContact OH-O 3.5Å; Y48-I121 HydrophobicContact CE1-CG1 3.95Å; Y48-I121 WeakPolarHBondContact OH-CA 3.23Å; Y48-I121 WeakPolarHBondContact OH-CG1 3.23Å; Y48-S124 WeakPolarHBondContact OH-CB 3.33Å; Y48-S124 PolarHBondContact OH-OG 3.36Å; Y48-L163 HydrophobicContact CD1-CD1 3.78Å; Y48-L163 HydrophobicContact CE1-CD1 4.38Å; Y48-G196 WeakPolarHBondContact CA-O 3.47Å; Y48-G196 VanDerWaalsContact CB-O 3.29Å; Y48-G196 WeakPolarHBondContact CB-O 3.35Å; Y48-G196 PolarHBondContact N-O 3.43Å; Y48-L198 HydrophobicContact CD1-CB 3.91Å; Y48-L198 HydrophobicContact CD1-CD2 4.35Å; Y48-L198 HydrophobicContact CD2-CB 3.96Å; Y48-L198 HydrophobicContact CD2-CD2 3.82Å; Y48-L198 HydrophobicContact CE1-CD2 4.17Å; Y48-L198 HydrophobicContact CE2-CD2 3.64Å; Y48-L198 HydrophobicContact CG-CB 3.58Å; Y48-L198 HydrophobicContact CG-CD2 4.17Å; Y48-L198 HydrophobicContact CG-CG 4.44Å
49	L	98	Very high	96.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-99.7	138.5	168.3	-58.6	178.7	0	0	0	110.1	L24 L53 A54 I57 L117 L163 L165 G196	L24-L49 HydrophobicContact CD1-CD2 3.54Å; L49-L53 HydrophobicContact CD2-CD2 4.32Å; L49-A54 HydrophobicContact CB-CB 4.01Å; L49-A54 HydrophobicContact CD1-CB 4.35Å; L49-I57 HydrophobicContact CD1-CD1 3.81Å; L49-L117 HydrophobicContact CD1-CD2 4.31Å; L49-L117 HydrophobicContact CD2-CD2 4.31Å; L49-L163 HydrophobicContact CD1-CD1 3.99Å; L49-L163 HydrophobicContact CD1-CD2 4.17Å; L49-L163 HydrophobicContact CG-CD1 4.17Å; L49-L165 HydrophobicContact CD1-CD2 4Å; L49-G196 PolarHBondContact N-O 3.45Å
50	P	97.4	Very high	97.1	Very high	57 Å²	57	38.7 Å²	38.7	37%	0.37	21%	0.207	S	C	.	.			trans	-55.3	143.7	164.1	-22.5	33.3	0	0	0	110.6	L24 S52 L53 A54	L24-P50 VanDerWaalsContact CD2-CD 3.47Å; L24-P50 HydrophobicContact CD2-CG 3.75Å; P50-S52 VanDerWaalsContact C-N 3.32Å; P50-S52 PolarHBondContact O-N 2.72Å; P50-L53 PolarHBondContact O-N 3.42Å; P50-L53 VanDerWaalsContact O-N 3.15Å; P50-A54 PolarHBondContact O-N 2.9Å
51	K	97.6	Very high	97.2	Very high	136 Å²	136	38.4 Å²	38.4	59%	0.591	21%	0.205	S	C	*	.	H	α-helix	trans	-53.9	-45.5	-175.3	172.8	167.1	169.1	40.4	0	113	L53 A54 D55	K51-L53 PolarHBondContact O-N 2.95Å; K51-A54 PolarHBondContact O-N 3.45Å; K51-D55 WeakPolarHBondContact CG-OD2 3.38Å; K51-D55 IonicContact NZ-OD1 2.71Å; K51-D55 PolarHBondContact NZ-OD1 3.2Å; K51-D55 IonicContact NZ-OD2 3.48Å; K51-D55 PolarHBondContact NZ-OD2 3.29Å; K51-D55 VanDerWaalsContact O-CG 3.26Å; K51-D55 PolarHBondContact O-N 3.09Å
52	S	97	Very high	97.2	Very high	77 Å²	77	38.5 Å²	38.5	54%	0.538	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-41.9	-179.6	51.1	0	0	0	0	113.1	P50 D55 S56	P50-S52 VanDerWaalsContact C-N 3.32Å; P50-S52 PolarHBondContact O-N 2.72Å; S52-D55 PolarHBondContact O-N 3.08Å; S52-S56 WeakPolarHBondContact O-CB 3.39Å; S52-S56 PolarHBondContact O-N 2.88Å; S52-S56 PolarHBondContact O-OG 2.79Å
53	L	97.9	Very high	97.2	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-42.6	176	178.2	57	0	0	0	110.8	I17 Q20 I21 L24 L49 P50 K51 D55 S56 I57	I17-L53 HydrophobicContact CG2-CD1 4.17Å; Q20-L53 HydrophobicContact CB-CD1 3.8Å; Q20-L53 HydrophobicContact CB-CD2 4.16Å; I21-L53 HydrophobicContact CG1-CD1 4.35Å; I21-L53 HydrophobicContact CG1-CD2 4.11Å; L24-L53 HydrophobicContact CD1-CD2 3.85Å; L24-L53 HydrophobicContact CD2-CD2 4.17Å; L24-L53 HydrophobicContact CG-CD2 4.17Å; L49-L53 HydrophobicContact CD2-CD2 4.32Å; P50-L53 PolarHBondContact O-N 3.42Å; P50-L53 VanDerWaalsContact O-N 3.15Å; K51-L53 PolarHBondContact O-N 2.95Å; L53-D55 VanDerWaalsContact C-N 3.35Å; L53-D55 PolarHBondContact O-N 3.48Å; L53-S56 PolarHBondContact O-N 3.3Å; L53-I57 HydrophobicContact CD1-CD1 3.89Å; L53-I57 HydrophobicContact CD1-CG1 4.12Å; L53-I57 HydrophobicContact CG-CD1 3.8Å; L53-I57 HydrophobicContact CG-CG1 4.49Å; L53-I57 WeakPolarHBondContact O-CD1 3.36Å; L53-I57 VanDerWaalsContact O-CG1 3.28Å; L53-I57 WeakPolarHBondContact O-CG1 3.45Å; L53-I57 PolarHBondContact O-N 2.96Å
54	A	98.4	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-40.4	176.8	0	0	0	0	0	112.1	L49 P50 K51 L58 L165 H195	L49-A54 HydrophobicContact CB-CB 4.01Å; L49-A54 HydrophobicContact CD1-CB 4.35Å; P50-A54 PolarHBondContact O-N 2.9Å; K51-A54 PolarHBondContact O-N 3.45Å; A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 PolarHBondContact O-N 3.03Å; A54-L165 HydrophobicContact CB-CD2 3.95Å; A54-H195 VanDerWaalsContact C-NE2 3.3Å; A54-H195 WeakPolarHBondContact CB-CE1 3.2Å; A54-H195 VanDerWaalsContact CB-NE2 3.29Å; A54-H195 WeakPolarHBondContact CB-NE2 3.36Å; A54-H195 PolarHBondContact O-CE1 3.25Å; A54-H195 VanDerWaalsContact O-CE1 3.25Å
55	D	98.1	Very high	97.2	Very high	64 Å²	64	46.2 Å²	46.2	34%	0.342	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-43.6	174.5	-70	-38.3	0	0	0	110.5	K51 S52 L53 L58 H59 H195	K51-D55 WeakPolarHBondContact CG-OD2 3.38Å; K51-D55 IonicContact NZ-OD1 2.71Å; K51-D55 PolarHBondContact NZ-OD1 3.2Å; K51-D55 IonicContact NZ-OD2 3.48Å; K51-D55 PolarHBondContact NZ-OD2 3.29Å; K51-D55 VanDerWaalsContact O-CG 3.26Å; K51-D55 PolarHBondContact O-N 3.09Å; S52-D55 PolarHBondContact O-N 3.08Å; L53-D55 VanDerWaalsContact C-N 3.35Å; L53-D55 PolarHBondContact O-N 3.48Å; D55-L58 PolarHBondContact O-N 2.97Å; D55-H59 PolarHBondContact O-N 2.83Å; D55-H195 PolarHBondContact N-NE2 2.93Å; D55-H195 IonicContact OD1-CD2 3.21Å; D55-H195 IonicContact OD1-NE2 3.66Å; D55-H195 PolarHBondContact OD1-NE2 3.01Å; D55-H195 VanDerWaalsContact OD1-NE2 3.08Å
56	S	98.2	Very high	97.2	Very high	24 Å²	24	52.7 Å²	52.7	17%	0.168	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-43.8	179.7	-56.5	0	0	0	0	112.3	I12 S52 L53 H59 Y60	I12-S56 WeakPolarHBondContact CD1-OG 3.49Å; S52-S56 WeakPolarHBondContact O-CB 3.39Å; S52-S56 PolarHBondContact O-N 2.88Å; S52-S56 PolarHBondContact O-OG 2.79Å; L53-S56 PolarHBondContact O-N 3.3Å; S56-H59 PolarHBondContact O-N 2.8Å; S56-Y60 WeakPolarHBondContact O-CB 3.29Å; S56-Y60 PolarHBondContact O-N 2.88Å
57	I	98.4	Very high	97.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-41.2	175.4	-63.5	159	0	0	0	110.4	I17 I21 L49 L53 H59 Y60 C61 V113 L117 L165	I17-I57 HydrophobicContact CG2-CD1 4.4Å; I17-I57 HydrophobicContact CG2-CG1 3.58Å; I21-I57 HydrophobicContact CD1-CD1 4.18Å; I21-I57 HydrophobicContact CG1-CD1 4.34Å; L49-I57 HydrophobicContact CD1-CD1 3.81Å; L53-I57 HydrophobicContact CD1-CD1 3.89Å; L53-I57 HydrophobicContact CD1-CG1 4.12Å; L53-I57 HydrophobicContact CG-CD1 3.8Å; L53-I57 HydrophobicContact CG-CG1 4.49Å; L53-I57 WeakPolarHBondContact O-CD1 3.36Å; L53-I57 VanDerWaalsContact O-CG1 3.28Å; L53-I57 WeakPolarHBondContact O-CG1 3.45Å; L53-I57 PolarHBondContact O-N 2.96Å; I57-H59 PolarHBondContact O-N 2.98Å; I57-Y60 PolarHBondContact O-N 3.49Å; I57-C61 WeakPolarHBondContact O-CB 3.37Å; I57-C61 PolarHBondContact O-N 3.13Å; I57-C61 PolarHBondContact O-SG 3.36Å; I57-V113 HydrophobicContact CG1-CG1 4.35Å; I57-V113 HydrophobicContact CG2-CG1 4.27Å; I57-L117 HydrophobicContact CD1-CD2 4.03Å; I57-L117 HydrophobicContact CG2-CD1 4.15Å; I57-L165 HydrophobicContact CB-CD1 3.96Å; I57-L165 HydrophobicContact CG2-CD1 3.43Å; I57-L165 VanDerWaalsContact CG2-CD1 3.43Å
58	L	98.3	Very high	97	Very high	31 Å²	31	47.4 Å²	47.4	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-48.8	176.9	177.2	64.1	0	0	0	110.8	A54 D55 C61 E62 L165 I224	A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 PolarHBondContact O-N 3.03Å; D55-L58 PolarHBondContact O-N 2.97Å; L58-C61 PolarHBondContact O-N 3.12Å; L58-E62 HydrophobicContact CD1-CG 4.47Å; L58-E62 WeakPolarHBondContact O-CG 3.25Å; L58-E62 PolarHBondContact O-N 2.79Å; L58-L165 HydrophobicContact CB-CB 4.33Å; L58-L165 HydrophobicContact CB-CD1 4.47Å; L58-L165 HydrophobicContact CD1-CB 4.13Å; L58-I224 HydrophobicContact CD1-CB 4.45Å; L58-I224 HydrophobicContact CD1-CD1 3.85Å; L58-I224 HydrophobicContact CD1-CG1 3.98Å
59	H	97.6	Very high	96.6	Very high	74 Å²	74	53 Å²	53	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-48	177.4	-178.4	57.4	0	0	0	111.8	D55 S56 I57 C61 E62 E63	D55-H59 PolarHBondContact O-N 2.83Å; S56-H59 PolarHBondContact O-N 2.8Å; I57-H59 PolarHBondContact O-N 2.98Å; H59-C61 VanDerWaalsContact C-N 3.29Å; H59-C61 PolarHBondContact O-N 3.28Å; H59-E62 PolarHBondContact O-N 3.01Å; H59-E63 WeakPolarHBondContact O-CG 3.3Å; H59-E63 PolarHBondContact O-N 2.75Å
60	Y	97.9	Very high	96.1	Very high	30 Å²	30	55.1 Å²	55.1	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-52.6	-47.6	174.9	170.8	-97.6	0	0	0	111.8	P14 I17 S56 I57 E62 E63 T64 D111 V113	P14-Y60 HydrophobicContact CB-CD2 4.46Å; P14-Y60 HydrophobicContact CB-CE2 3.86Å; P14-Y60 HydrophobicContact CG-CD2 4.09Å; P14-Y60 HydrophobicContact CG-CE2 3.58Å; I17-Y60 HydrophobicContact CD1-CD2 4.39Å; I17-Y60 HydrophobicContact CD1-CG 4.11Å; S56-Y60 WeakPolarHBondContact O-CB 3.29Å; S56-Y60 PolarHBondContact O-N 2.88Å; I57-Y60 PolarHBondContact O-N 3.49Å; Y60-E62 PolarHBondContact O-N 2.91Å; Y60-E63 PolarHBondContact O-N 2.81Å; Y60-T64 HydrophobicContact CD2-CG2 3.89Å; Y60-T64 WeakPolarHBondContact CE1-OG1 3.44Å; Y60-T64 HydrophobicContact CE2-CG2 3.61Å; Y60-T64 WeakPolarHBondContact O-CB 3.49Å; Y60-T64 WeakPolarHBondContact O-CG2 3.22Å; Y60-T64 PolarHBondContact O-N 2.8Å; Y60-T64 PolarHBondContact O-OG1 3.26Å; Y60-D111 PolarHBondContact OH-OD2 3.09Å; Y60-V113 HydrophobicContact CD1-CB 4.02Å; Y60-V113 HydrophobicContact CD1-CG1 4.13Å; Y60-V113 HydrophobicContact CD1-CG2 3.93Å; Y60-V113 HydrophobicContact CE1-CB 3.61Å; Y60-V113 HydrophobicContact CE1-CG1 4.22Å; Y60-V113 HydrophobicContact CE1-CG2 3.54Å; Y60-V113 HydrophobicContact CE2-CG2 4.19Å; Y60-V113 HydrophobicContact CG-CG2 4.41Å
61	C	97.6	Very high	95.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-35.7	-177.6	-70.2	0	0	0	0	113.3	I57 L58 H59 E63 L65 I224	I57-C61 WeakPolarHBondContact O-CB 3.37Å; I57-C61 PolarHBondContact O-N 3.13Å; I57-C61 PolarHBondContact O-SG 3.36Å; L58-C61 PolarHBondContact O-N 3.12Å; H59-C61 VanDerWaalsContact C-N 3.29Å; H59-C61 PolarHBondContact O-N 3.28Å; C61-E63 VanDerWaalsContact C-N 3.28Å; C61-E63 PolarHBondContact O-N 3.15Å; C61-L65 HydrophobicContact CB-CD1 3.8Å; C61-L65 HydrophobicContact CB-CG 4.06Å; C61-L65 WeakPolarHBondContact O-CB 3.47Å; C61-L65 PolarHBondContact O-N 2.93Å; C61-I224 HydrophobicContact CB-CD1 3.49Å; C61-I224 VanDerWaalsContact CB-CD1 3.49Å
62	E	96.9	Very high	94.7	Very high	62 Å²	62	56.4 Å²	56.4	29%	0.29	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-33.6	176	-71.9	-69.4	106.5	0	0	112.3	L58 H59 Y60 R136 V222 I224	L58-E62 HydrophobicContact CD1-CG 4.47Å; L58-E62 WeakPolarHBondContact O-CG 3.25Å; L58-E62 PolarHBondContact O-N 2.79Å; H59-E62 PolarHBondContact O-N 3.01Å; Y60-E62 PolarHBondContact O-N 2.91Å; E62-R136 WeakPolarHBondContact OE1-CD 3.27Å; E62-R136 IonicContact OE1-CZ 3.39Å; E62-R136 IonicContact OE1-NE 3.3Å; E62-R136 PolarHBondContact OE1-NE 2.87Å; E62-R136 IonicContact OE1-NH2 3.59Å; E62-R136 IonicContact OE2-CZ 2.88Å; E62-R136 IonicContact OE2-NE 2.85Å; E62-R136 PolarHBondContact OE2-NE 2.87Å; E62-R136 IonicContact OE2-NH2 2.65Å; E62-R136 PolarHBondContact OE2-NH2 3.19Å; E62-V222 WeakPolarHBondContact OE1-CG1 3.43Å; E62-I224 WeakPolarHBondContact OE1-CD1 3.25Å
63	E	96	Very high	94.2	Very high	137 Å²	137	55 Å²	55	64%	0.64	28%	0.276	S	S	*	.	H	α-helix	trans	-84.8	-31.2	-179.4	-66.4	-63.4	134.1	0	0	113.2	H59 Y60 C61	H59-E63 WeakPolarHBondContact O-CG 3.3Å; H59-E63 PolarHBondContact O-N 2.75Å; Y60-E63 PolarHBondContact O-N 2.81Å; C61-E63 VanDerWaalsContact C-N 3.28Å; C61-E63 PolarHBondContact O-N 3.15Å
64	T	96.5	Very high	93.7	Very high	52 Å²	52	57 Å²	57	32%	0.319	29%	0.285	S	S	.	.	H	α-helix	trans	-113.3	-27.9	-167.5	62.6	0	0	0	0	115.4	Y60 H66	Y60-T64 HydrophobicContact CD2-CG2 3.89Å; Y60-T64 WeakPolarHBondContact CE1-OG1 3.44Å; Y60-T64 HydrophobicContact CE2-CG2 3.61Å; Y60-T64 WeakPolarHBondContact O-CB 3.49Å; Y60-T64 WeakPolarHBondContact O-CG2 3.22Å; Y60-T64 PolarHBondContact O-N 2.8Å; Y60-T64 PolarHBondContact O-OG1 3.26Å; T64-H66 PolarHBondContact O-N 2.83Å
65	L	96.4	Very high	93.1	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-81.9	122.5	-176.6	-61.7	-172.6	0	0	0	111.1	C61 Y67 L89 M91 D111 V134 F226	C61-L65 HydrophobicContact CB-CD1 3.8Å; C61-L65 HydrophobicContact CB-CG 4.06Å; C61-L65 WeakPolarHBondContact O-CB 3.47Å; C61-L65 PolarHBondContact O-N 2.93Å; L65-Y67 HydrophobicContact CB-CE2 4.38Å; L65-Y67 WeakPolarHBondContact O-CE2 3.24Å; L65-L89 HydrophobicContact CB-CD2 4.15Å; L65-L89 HydrophobicContact CD1-CD2 4.48Å; L65-L89 HydrophobicContact CD2-CD2 4.22Å; L65-M91 HydrophobicContact CD1-CE 4.29Å; L65-M91 HydrophobicContact CD2-CE 3.76Å; L65-D111 HydrophobicContact CD2-CB 4.28Å; L65-V134 HydrophobicContact CD1-CG1 4.28Å; L65-F226 HydrophobicContact CD1-CE1 4.34Å; L65-F226 HydrophobicContact CD1-CZ 4.48Å
66	H	95	Very high	92.5	Very high	157 Å²	157	57.8 Å²	57.8	73%	0.727	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-94.3	118.4	173.2	-60.3	-68.2	0	0	0	110.5	T64	T64-H66 PolarHBondContact O-N 2.83Å
67	Y	94	Very high	91.7	Very high	40 Å²	40	59.2 Å²	59.2	16%	0.157	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-88.1	149.8	-178.1	-60.1	-80.3	0	0	0	112.2	L65 Q87 L89 V134 R136	L65-Y67 HydrophobicContact CB-CE2 4.38Å; L65-Y67 WeakPolarHBondContact O-CE2 3.24Å; Y67-Q87 HydrophobicContact CD1-CB 4.08Å; Y67-Q87 HydrophobicContact CD2-CB 4.37Å; Y67-Q87 HydrophobicContact CG-CB 3.81Å; Y67-L89 HydrophobicContact CD1-CB 3.93Å; Y67-L89 HydrophobicContact CE1-CB 4.37Å; Y67-V134 HydrophobicContact CE1-CG1 4.09Å; Y67-R136 HydrophobicContact CD1-CB 4.23Å; Y67-R136 HydrophobicContact CE1-CB 3.6Å; Y67-R136 HydrophobicContact CE2-CB 4.09Å; Y67-R136 HydrophobicContact CE2-CG 4.27Å; Y67-R136 VanDerWaalsContact CZ-CD 3.44Å
68	L	91.6	Very high	91	Very high	29 Å²	29	67.9 Å²	67.9	15%	0.152	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-62.1	147.3	179.5	-61.2	169.7	0	0	0	112.1	Y72 Q88 L105	L68-Y72 HydrophobicContact CD2-CD2 4.44Å; L68-Q88 WeakPolarHBondContact CB-O 3.47Å; L68-Q88 WeakPolarHBondContact CG-O 3.23Å; L68-Q88 PolarHBondContact N-O 2.96Å; L68-L105 HydrophobicContact CD1-CD1 3.92Å; L68-L105 HydrophobicContact CD1-CD2 3.92Å; L68-L105 HydrophobicContact CD1-CG 4.35Å
69	D	89.3	Confident	90.2	Very high	122 Å²	122	74.1 Å²	74.1	65%	0.652	37%	0.371	S	S	*	.			trans	-127	-168.3	-180	69.3	-0.3	0	0	0	112.2	R71 Y72	D69-R71 PolarHBondContact O-N 3.19Å; D69-Y72 PolarHBondContact O-N 3.15Å
70	G	87.3	Confident	89.7	Confident	48 Å²	48	79.2 Å²	79.2	50%	0.495	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	56	-133.5	174.3	0	0	0	0	0	113.6	Y72 T73	G70-Y72 PolarHBondContact O-N 2.69Å; G70-Y72 VanDerWaalsContact O-N 3.12Å; G70-T73 PolarHBondContact O-N 3.45Å; G70-T73 VanDerWaalsContact O-N 3.09Å; G70-T73 PolarHBondContact O-OG1 2.82Å
71	R	82	Confident	89.2	Confident	168 Å²	168	85 Å²	85	63%	0.634	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-60.2	-24.4	-175	73.1	179.8	-170.9	178	0.7	113.9	D69 T73 E74	D69-R71 PolarHBondContact O-N 3.19Å; R71-T73 PolarHBondContact O-N 2.83Å; R71-E74 PolarHBondContact O-N 2.81Å
72	Y	83.7	Confident	88.7	Confident	52 Å²	52	89.1 Å²	89.1	20%	0.204	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-74.1	-11.1	-179	-56.5	-62.3	0	0	0	112.9	L68 D69 G70 E74 I84 C104 L105	L68-Y72 HydrophobicContact CD2-CD2 4.44Å; D69-Y72 PolarHBondContact O-N 3.15Å; G70-Y72 PolarHBondContact O-N 2.69Å; G70-Y72 VanDerWaalsContact O-N 3.12Å; Y72-E74 VanDerWaalsContact C-N 3.26Å; Y72-E74 PolarHBondContact O-N 3.44Å; Y72-I84 WeakPolarHBondContact O-CD1 3.46Å; Y72-C104 WeakPolarHBondContact CE1-O 3.38Å; Y72-L105 HydrophobicContact CD1-CD2 3.48Å; Y72-L105 VanDerWaalsContact CD1-CD2 3.48Å; Y72-L105 HydrophobicContact CE1-CD2 4.25Å; Y72-L105 HydrophobicContact CG-CD2 4.03Å
73	T	86.5	Confident	88.4	Confident	48 Å²	48	94.2 Å²	94.2	29%	0.294	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-87.6	12.1	176.9	68.2	0	0	0	0	113.3	G70 R71 K83 I84	G70-T73 PolarHBondContact O-N 3.45Å; G70-T73 VanDerWaalsContact O-N 3.09Å; G70-T73 PolarHBondContact O-OG1 2.82Å; R71-T73 PolarHBondContact O-N 2.83Å; T73-K83 CarbonylContact O-C 3.59Å; T73-K83 WeakPolarHBondContact O-CA 3.26Å; T73-I84 WeakPolarHBondContact O-CB 3.47Å; T73-I84 PolarHBondContact O-N 3.12Å
74	E	87.6	Confident	88.2	Confident	45 Å²	45	88.4 Å²	88.4	21%	0.21	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.8	179.5	-61.7	-174.2	-162.4	0	0	111.4	R71 Y72 R81 H82 K83 N103	R71-E74 PolarHBondContact O-N 2.81Å; Y72-E74 VanDerWaalsContact C-N 3.26Å; Y72-E74 PolarHBondContact O-N 3.44Å; E74-R81 VanDerWaalsContact CD-NH2 3.31Å; E74-R81 IonicContact OE1-NH2 3.55Å; E74-R81 IonicContact OE2-CZ 3.94Å; E74-R81 IonicContact OE2-NE 2.76Å; E74-R81 PolarHBondContact OE2-NE 3.33Å; E74-R81 IonicContact OE2-NH1 2.8Å; E74-R81 PolarHBondContact OE2-NH1 3.44Å; E74-R81 IonicContact OE2-NH2 2.66Å; E74-R81 PolarHBondContact OE2-NH2 3.02Å; E74-H82 CarbonylContact C-O 3.52Å; E74-H82 WeakPolarHBondContact CA-O 3.47Å; E74-K83 HydrophobicContact CG-CG 4.29Å; E74-N103 VanDerWaalsContact O-CG 3.26Å; E74-N103 PolarHBondContact O-ND2 2.93Å; E74-N103 PolarHBondContact O-OD1 2.89Å; E74-N103 VanDerWaalsContact O-OD1 3.12Å
75	V	85.8	Confident	88	Confident	22 Å²	22	88 Å²	88	13%	0.133	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.3	173.6	-75.8	0	0	0	0	110.9	V77 R81 H82 I84 F100	V75-V77 HydrophobicContact CG2-CG2 4.06Å; V75-R81 CarbonylContact O-C 3.52Å; V75-R81 WeakPolarHBondContact O-CA 3.49Å; V75-H82 HydrophobicContact CG2-CB 4.41Å; V75-H82 PolarHBondContact N-O 3.47Å; V75-H82 PolarHBondContact O-N 3.25Å; V75-I84 HydrophobicContact CB-CG1 4.42Å; V75-I84 HydrophobicContact CG1-CD1 3.64Å; V75-I84 HydrophobicContact CG1-CG1 3.8Å; V75-I84 HydrophobicContact CG2-CG1 4.09Å; V75-F100 HydrophobicContact CG1-CD2 4.09Å; V75-F100 HydrophobicContact CG1-CE2 3.5Å; V75-F100 HydrophobicContact CG1-CZ 4.4Å
76	T	85.7	Confident	88	Confident	57 Å²	57	88.5 Å²	88.5	35%	0.35	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.8	172.1	-59	0	0	0	0	110	R80 S101	T76-R80 CarbonylContact C-O 3.58Å; T76-R80 WeakPolarHBondContact CA-O 3.3Å; T76-S101 PolarHBondContact N-O 2.93Å
77	V	81.8	Confident	88.1	Confident	54 Å²	54	84.8 Å²	84.8	33%	0.327	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.4	175.9	-175.6	0	0	0	0	107.7	V75 N79 R80	V75-V77 HydrophobicContact CG2-CG2 4.06Å; V77-N79 VanDerWaalsContact C-N 3.26Å; V77-N79 PolarHBondContact O-N 3.2Å; V77-R80 PolarHBondContact N-O 3.26Å; V77-R80 PolarHBondContact O-N 2.97Å; V77-R80 VanDerWaalsContact O-O 3.12Å
78	F	83.2	Confident	88.1	Confident	182 Å²	182	83.2 Å²	83.2	80%	0.798	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	45.9	-175.6	-55.9	-63.4	0	0	0	113.5	R80	F78-R80 PolarHBondContact O-N 3.37Å; F78-R80 VanDerWaalsContact O-N 3.12Å
79	N	83.1	Confident	88.3	Confident	162 Å²	162	82.4 Å²	82.4	87%	0.866	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	17.6	-177.6	-58.7	-26.7	0	0	0	115.3	V77	V77-N79 VanDerWaalsContact C-N 3.26Å; V77-N79 PolarHBondContact O-N 3.2Å
80	R	87.1	Confident	88.6	Confident	182 Å²	182	76.6 Å²	76.6	69%	0.687	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.9	175.5	-64.5	-179	-175.6	-174.3	1	110.1	T76 V77 F78 H82	T76-R80 CarbonylContact C-O 3.58Å; T76-R80 WeakPolarHBondContact CA-O 3.3Å; V77-R80 PolarHBondContact N-O 3.26Å; V77-R80 PolarHBondContact O-N 2.97Å; V77-R80 VanDerWaalsContact O-O 3.12Å; F78-R80 PolarHBondContact O-N 3.37Å; F78-R80 VanDerWaalsContact O-N 3.12Å; R80-H82 PolarHBondContact O-CD2 3.04Å
81	R	86	Confident	89.1	Confident	151 Å²	151	74.5 Å²	74.5	57%	0.57	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.3	173.7	-66.4	-174.2	72.9	-157.8	0.2	109.9	E74 V75	E74-R81 VanDerWaalsContact CD-NH2 3.31Å; E74-R81 IonicContact OE1-NH2 3.55Å; E74-R81 IonicContact OE2-CZ 3.94Å; E74-R81 IonicContact OE2-NE 2.76Å; E74-R81 PolarHBondContact OE2-NE 3.33Å; E74-R81 IonicContact OE2-NH1 2.8Å; E74-R81 PolarHBondContact OE2-NH1 3.44Å; E74-R81 IonicContact OE2-NH2 2.66Å; E74-R81 PolarHBondContact OE2-NH2 3.02Å; V75-R81 CarbonylContact O-C 3.52Å; V75-R81 WeakPolarHBondContact O-CA 3.49Å
82	H	87.2	Confident	89.7	Confident	87 Å²	87	66.7 Å²	66.7	40%	0.403	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.5	179.7	-64.9	-82.7	0	0	0	109.9	E74 V75 R80 I84	E74-H82 CarbonylContact C-O 3.52Å; E74-H82 WeakPolarHBondContact CA-O 3.47Å; V75-H82 HydrophobicContact CG2-CB 4.41Å; V75-H82 PolarHBondContact N-O 3.47Å; V75-H82 PolarHBondContact O-N 3.25Å; R80-H82 PolarHBondContact O-CD2 3.04Å; H82-I84 PolarHBondContact O-N 2.92Å
83	K	91.2	Very high	90.3	Very high	168 Å²	168	67.5 Å²	67.5	73%	0.73	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	132.8	171.1	-67.7	-170.4	176.6	-173	0	110.5	T73 E74	T73-K83 CarbonylContact O-C 3.59Å; T73-K83 WeakPolarHBondContact O-CA 3.26Å; E74-K83 HydrophobicContact CG-CG 4.29Å
84	I	91.2	Very high	90.5	Very high	15 Å²	15	70.5 Å²	70.5	8%	0.077	35%	0.349	C	S	.	.			trans	-74.7	119.6	171.5	-56.9	175.2	0	0	0	106.8	Y72 T73 V75 H82 R86 F100	Y72-I84 WeakPolarHBondContact O-CD1 3.46Å; T73-I84 WeakPolarHBondContact O-CB 3.47Å; T73-I84 PolarHBondContact O-N 3.12Å; V75-I84 HydrophobicContact CB-CG1 4.42Å; V75-I84 HydrophobicContact CG1-CD1 3.64Å; V75-I84 HydrophobicContact CG1-CG1 3.8Å; V75-I84 HydrophobicContact CG2-CG1 4.09Å; H82-I84 PolarHBondContact O-N 2.92Å; I84-R86 HydrophobicContact CG2-CG 3.51Å; I84-R86 WeakPolarHBondContact CG2-O 3.3Å; I84-R86 PolarHBondContact O-N 3.24Å; I84-R86 VanDerWaalsContact O-N 3.15Å; I84-F100 HydrophobicContact CD1-CE2 4.45Å; I84-F100 HydrophobicContact CD1-CZ 4.43Å
85	P	93.4	Very high	90.4	Very high	43 Å²	43	72.2 Å²	72.2	28%	0.279	38%	0.38	S	S	.	.	S	Bend	trans	-77.4	1.4	-174.2	34.2	-39.4	0	0	0	112.9	N142 Y143	P85-N142 VanDerWaalsContact O-CB 3.3Å; P85-N142 WeakPolarHBondContact O-CB 3.42Å; P85-N142 PolarHBondContact O-ND2 2.86Å; P85-N142 PolarHBondContact O-OD1 2.79Å; P85-Y143 HydrophobicContact CB-CD1 4.13Å; P85-Y143 HydrophobicContact CB-CE1 4Å; P85-Y143 HydrophobicContact CG-CD1 3.66Å; P85-Y143 HydrophobicContact CG-CD2 4.38Å; P85-Y143 HydrophobicContact CG-CE1 3.65Å; P85-Y143 HydrophobicContact CG-CE2 4.36Å; P85-Y143 HydrophobicContact CG-CG 4.03Å; P85-Y143 VanDerWaalsContact CG-O 3.29Å; P85-Y143 WeakPolarHBondContact CG-O 3.46Å
86	R	95.7	Very high	90.5	Very high	27 Å²	27	72.1 Å²	72.1	10%	0.102	38%	0.378	C	S	.	.	S	Bend	trans	-124	159.4	-177.4	62.6	-178.8	-170.7	-72.7	-9.9	108.9	I84 Q88 N135 R136 Y137 N142 Y143 I144	I84-R86 HydrophobicContact CG2-CG 3.51Å; I84-R86 WeakPolarHBondContact CG2-O 3.3Å; I84-R86 PolarHBondContact O-N 3.24Å; I84-R86 VanDerWaalsContact O-N 3.15Å; R86-Q88 HydrophobicContact CG-CG 4.35Å; R86-N135 WeakPolarHBondContact CD-OD1 3.3Å; R86-N135 PolarHBondContact NE-OD1 2.91Å; R86-R136 WeakPolarHBondContact CB-O 3.47Å; R86-Y137 HydrophobicContact CB-CD1 3.85Å; R86-Y137 HydrophobicContact CB-CE1 3.88Å; R86-Y137 HydrophobicContact CB-CG 4.43Å; R86-Y137 VanDerWaalsContact CD-CZ 3.42Å; R86-Y137 VanDerWaalsContact CD-OH 3.31Å; R86-Y137 WeakPolarHBondContact CD-OH 3.39Å; R86-Y137 HydrophobicContact CG-CE1 4.2Å; R86-N142 HydrophobicContact CB-CB 4.28Å; R86-Y143 PolarHBondContact NH1-O 3.35Å; R86-I144 VanDerWaalsContact CZ-CD1 3.46Å
87	Q	96	Very high	90.4	Very high	79 Å²	79	72.5 Å²	72.5	37%	0.369	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	150.2	173	-69.6	172.4	-66.9	0	0	110.3	Y67 N135 R136	Y67-Q87 HydrophobicContact CD1-CB 4.08Å; Y67-Q87 HydrophobicContact CD2-CB 4.37Å; Y67-Q87 HydrophobicContact CG-CB 3.81Å; Q87-N135 WeakPolarHBondContact O-CA 3.29Å; Q87-R136 HydrophobicContact CB-CB 4.19Å; Q87-R136 PolarHBondContact N-O 2.89Å; Q87-R136 PolarHBondContact O-N 2.93Å
88	Q	95.9	Very high	90.5	Very high	6 Å²	6	70.2 Å²	70.2	3%	0.028	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.6	-176.4	-56.6	-171.7	-82.9	0	0	111.6	L68 R86 L133 V134 N135	L68-Q88 WeakPolarHBondContact CB-O 3.47Å; L68-Q88 WeakPolarHBondContact CG-O 3.23Å; L68-Q88 PolarHBondContact N-O 2.96Å; R86-Q88 HydrophobicContact CG-CG 4.35Å; Q88-L133 HydrophobicContact CB-CD1 4.46Å; Q88-V134 CarbonylContact C-O 3.57Å; Q88-V134 VanDerWaalsContact CA-O 3.24Å; Q88-V134 WeakPolarHBondContact CA-O 3.29Å; Q88-N135 WeakPolarHBondContact CG-OD1 3.44Å; Q88-N135 PolarHBondContact NE2-OD1 2.93Å
89	L	95.2	Very high	90.6	Very high	12 Å²	12	67.5 Å²	67.5	6%	0.063	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.6	171.5	169.5	61	0	0	0	107.8	L65 Y67 M91 E108 V134	L65-L89 HydrophobicContact CB-CD2 4.15Å; L65-L89 HydrophobicContact CD1-CD2 4.48Å; L65-L89 HydrophobicContact CD2-CD2 4.22Å; Y67-L89 HydrophobicContact CD1-CB 3.93Å; Y67-L89 HydrophobicContact CE1-CB 4.37Å; L89-M91 HydrophobicContact CD2-CE 3.28Å; L89-M91 HydrophobicContact CG-CE 3.85Å; L89-M91 HydrophobicContact CG-CG 4.39Å; L89-E108 HydrophobicContact CD1-CG 4.01Å; L89-V134 HydrophobicContact CB-CB 4.17Å; L89-V134 PolarHBondContact N-O 2.77Å; L89-V134 PolarHBondContact O-N 3.15Å
90	A	95.6	Very high	90.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.2	178.7	0	0	0	0	0	108.5	L105 E108 F131 V132 L133	A90-L105 HydrophobicContact CB-CB 3.99Å; A90-L105 HydrophobicContact CB-CD1 3.97Å; A90-E108 PolarHBondContact O-N 2.89Å; A90-F131 HydrophobicContact CB-CE2 3.78Å; A90-F131 HydrophobicContact CB-CZ 3.82Å; A90-V132 WeakPolarHBondContact CA-O 3.39Å; A90-L133 HydrophobicContact CB-CD1 4.45Å
91	M	97	Very high	90.4	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.6	171.2	-52.8	163.4	-155.2	0	0	109.3	L65 L89 E108 W110 D111 V114 F131 V132 V134	L65-M91 HydrophobicContact CD1-CE 4.29Å; L65-M91 HydrophobicContact CD2-CE 3.76Å; L89-M91 HydrophobicContact CD2-CE 3.28Å; L89-M91 HydrophobicContact CG-CE 3.85Å; L89-M91 HydrophobicContact CG-CG 4.39Å; M91-E108 CarbonylContact C-O 3.6Å; M91-E108 VanDerWaalsContact CA-O 3.22Å; M91-E108 WeakPolarHBondContact CA-O 3.28Å; M91-W110 HydrophobicContact CB-CD2 4.4Å; M91-W110 HydrophobicContact CB-CE3 4.2Å; M91-D111 HydrophobicContact CE-CB 4.15Å; M91-D111 HydrophobicContact SD-CB 3.92Å; M91-V114 HydrophobicContact CE-CG2 4.1Å; M91-V114 HydrophobicContact SD-CB 4.04Å; M91-V114 HydrophobicContact SD-CG1 3.96Å; M91-V114 HydrophobicContact SD-CG2 4.18Å; M91-F131 WeakPolarHBondContact O-CA 3.48Å; M91-F131 VanDerWaalsContact O-CD2 3.23Å; M91-F131 WeakPolarHBondContact O-CD2 3.42Å; M91-V132 HydrophobicContact CB-CG1 3.77Å; M91-V132 HydrophobicContact CG-CG1 4.38Å; M91-V132 PolarHBondContact N-O 3.45Å; M91-V132 PolarHBondContact O-N 2.95Å; M91-V132 HydrophobicContact SD-CG1 4.32Å; M91-V134 HydrophobicContact CE-CG2 3.98Å
92	G	95.6	Very high	90.2	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	178.2	-179.4	0	0	0	0	0	113.2	E108 W110 N130	G92-E108 PolarHBondContact N-O 2.82Å; G92-W110 PolarHBondContact O-NE1 3.41Å; G92-N130 VanDerWaalsContact CA-O 3.23Å; G92-N130 WeakPolarHBondContact CA-O 3.08Å
93	N	95	Very high	89.9	Confident	70 Å²	70	48.1 Å²	48.1	37%	0.374	30%	0.3	S	S	.	.	S	Bend	trans	-63	155.4	171.8	-67.2	2.8	0	0	0	110.1	G95 I96 W110 N130	N93-G95 PolarHBondContact O-N 3.24Å; N93-I96 HydrophobicContact CB-CG1 4.11Å; N93-I96 VanDerWaalsContact O-CB 3.31Å; N93-I96 WeakPolarHBondContact O-CB 3.2Å; N93-I96 VanDerWaalsContact O-CG1 3.3Å; N93-I96 WeakPolarHBondContact O-CG1 3.4Å; N93-I96 PolarHBondContact O-N 2.85Å; N93-I96 VanDerWaalsContact O-N 3.1Å; N93-W110 PolarHBondContact OD1-NE1 3.24Å; N93-N130 HydrophobicContact CB-CB 4.37Å; N93-N130 PolarHBondContact N-O 3.26Å
94	A	90.3	Very high	89.7	Confident	110 Å²	110	42.7 Å²	42.7	91%	0.909	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	135.8	177.9	0	0	0	0	0	111.4	I96	A94-I96 VanDerWaalsContact C-N 3.31Å; A94-I96 PolarHBondContact O-N 3.02Å
95	G	86.1	Confident	89.3	Confident	82 Å²	82	42 Å²	42	85%	0.845	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-7	-179.3	0	0	0	0	0	115.5	N93	N93-G95 PolarHBondContact O-N 3.24Å
96	I	87.7	Confident	88.7	Confident	20 Å²	20	42.4 Å²	42.4	10%	0.103	28%	0.281	C	S	.	.			trans	-72.7	136.3	175.4	-63.8	-62.6	0	0	0	110.8	N93 A94 A107 F131 M231	N93-I96 HydrophobicContact CB-CG1 4.11Å; N93-I96 VanDerWaalsContact O-CB 3.31Å; N93-I96 WeakPolarHBondContact O-CB 3.2Å; N93-I96 VanDerWaalsContact O-CG1 3.3Å; N93-I96 WeakPolarHBondContact O-CG1 3.4Å; N93-I96 PolarHBondContact O-N 2.85Å; N93-I96 VanDerWaalsContact O-N 3.1Å; A94-I96 VanDerWaalsContact C-N 3.31Å; A94-I96 PolarHBondContact O-N 3.02Å; I96-A107 HydrophobicContact CB-CB 4.26Å; I96-A107 HydrophobicContact CG2-CB 4.23Å; I96-A107 VanDerWaalsContact O-CB 3.23Å; I96-A107 WeakPolarHBondContact O-CB 3.47Å; I96-F131 HydrophobicContact CG2-CB 4.18Å; I96-F131 HydrophobicContact CG2-CD2 3.65Å; I96-F131 HydrophobicContact CG2-CE2 4.47Å; I96-F131 HydrophobicContact CG2-CG 4.25Å; I96-M231 HydrophobicContact CD1-CB 4.02Å; I96-M231 HydrophobicContact CD1-CG 4.37Å; I96-M231 HydrophobicContact CG2-CG 3.82Å
97	T	84.4	Confident	88.3	Confident	65 Å²	65	42.2 Å²	42.2	40%	0.399	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.6	166.8	64.7	0	0	0	0	108.6
98	Y	83.3	Confident	88.2	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.1	177.1	177.4	-123.6	0	0	0	111.2	F100 C104 L105 F131 L133 E151 M231	Y98-F100 AromaticContact CD1-CD1 3.5Å; Y98-F100 HydrophobicContact CD1-CD1 3.5Å; Y98-F100 AromaticContact CD1-CE1 3.97Å; Y98-F100 HydrophobicContact CD1-CE1 3.97Å; Y98-F100 HydrophobicContact CD1-CG 4.46Å; Y98-F100 HydrophobicContact CE1-CB 4.01Å; Y98-F100 AromaticContact CE1-CD1 3.21Å; Y98-F100 HydrophobicContact CE1-CD1 3.21Å; Y98-F100 AromaticContact CE1-CE1 3.84Å; Y98-F100 HydrophobicContact CE1-CE1 3.84Å; Y98-F100 AromaticContact CE1-CG 3.8Å; Y98-F100 HydrophobicContact CE1-CG 3.8Å; Y98-F100 HydrophobicContact CG-CD1 4.47Å; Y98-C104 CarbonylContact O-C 3.46Å; Y98-C104 WeakPolarHBondContact O-CA 3.34Å; Y98-L105 HydrophobicContact CD1-CD1 4.43Å; Y98-L105 PolarHBondContact N-O 3.45Å; Y98-L105 VanDerWaalsContact N-O 3.15Å; Y98-L105 PolarHBondContact O-N 3.31Å; Y98-F131 AromaticContact CD1-CE1 3.91Å; Y98-F131 HydrophobicContact CD1-CE1 3.91Å; Y98-F131 AromaticContact CD1-CZ 3.74Å; Y98-F131 HydrophobicContact CD1-CZ 3.74Å; Y98-F131 HydrophobicContact CD2-CE1 4.06Å; Y98-F131 HydrophobicContact CD2-CZ 4.35Å; Y98-F131 HydrophobicContact CE1-CE1 4.5Å; Y98-F131 AromaticContact CG-CE1 3.65Å; Y98-F131 HydrophobicContact CG-CE1 3.65Å; Y98-F131 HydrophobicContact CG-CE2 4.37Å; Y98-F131 AromaticContact CG-CZ 3.53Å; Y98-F131 HydrophobicContact CG-CZ 3.53Å; Y98-L133 HydrophobicContact CD1-CD1 4.41Å; Y98-L133 HydrophobicContact CE1-CD2 3.88Å; Y98-E151 HydrophobicContact CE2-CG 4.24Å; Y98-M231 HydrophobicContact CD2-CE 3.77Å; Y98-M231 HydrophobicContact CD2-SD 4.42Å
99	K	85.9	Confident	88.2	Confident	126 Å²	126	47.4 Å²	47.4	55%	0.548	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.5	-177.5	-66.4	178	-174.4	173.9	0	111.5	N103 C104 E151 D153	K99-N103 CarbonylContact C-O 3.57Å; K99-N103 WeakPolarHBondContact CA-O 3.37Å; K99-C104 HydrophobicContact CG-CB 4.01Å; K99-E151 WeakPolarHBondContact O-CG 3.33Å; K99-D153 PolarHBondContact N-OD2 3.49Å
100	F	83.1	Confident	88.3	Confident	16 Å²	16	48.1 Å²	48.1	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.7	176.3	71.2	-81.2	0	0	0	111.3	V75 I84 Y98 G102 N103 L105 E151	V75-F100 HydrophobicContact CG1-CD2 4.09Å; V75-F100 HydrophobicContact CG1-CE2 3.5Å; V75-F100 HydrophobicContact CG1-CZ 4.4Å; I84-F100 HydrophobicContact CD1-CE2 4.45Å; I84-F100 HydrophobicContact CD1-CZ 4.43Å; Y98-F100 AromaticContact CD1-CD1 3.5Å; Y98-F100 HydrophobicContact CD1-CD1 3.5Å; Y98-F100 AromaticContact CD1-CE1 3.97Å; Y98-F100 HydrophobicContact CD1-CE1 3.97Å; Y98-F100 HydrophobicContact CD1-CG 4.46Å; Y98-F100 HydrophobicContact CE1-CB 4.01Å; Y98-F100 AromaticContact CE1-CD1 3.21Å; Y98-F100 HydrophobicContact CE1-CD1 3.21Å; Y98-F100 AromaticContact CE1-CE1 3.84Å; Y98-F100 HydrophobicContact CE1-CE1 3.84Å; Y98-F100 AromaticContact CE1-CG 3.8Å; Y98-F100 HydrophobicContact CE1-CG 3.8Å; Y98-F100 HydrophobicContact CG-CD1 4.47Å; F100-G102 PolarHBondContact O-N 3.33Å; F100-N103 HydrophobicContact CD1-CB 4.37Å; F100-N103 HydrophobicContact CE1-CB 4.1Å; F100-N103 HydrophobicContact CZ-CB 4.25Å; F100-N103 PolarHBondContact N-O 2.91Å; F100-N103 WeakPolarHBondContact O-CB 3.42Å; F100-N103 PolarHBondContact O-N 3.46Å; F100-L105 HydrophobicContact CE1-CD1 3.64Å; F100-L105 HydrophobicContact CE1-CD2 4.22Å; F100-L105 HydrophobicContact CE1-CG 3.72Å; F100-L105 HydrophobicContact CZ-CD1 4.35Å; F100-E151 HydrophobicContact CB-CG 4.11Å
101	S	83.4	Confident	88.4	Confident	63 Å²	63	49.7 Å²	49.7	44%	0.441	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.7	40.4	174.7	-58.5	0	0	0	0	115	T76 N103	T76-S101 PolarHBondContact N-O 2.93Å; S101-N103 VanDerWaalsContact C-N 3.34Å; S101-N103 PolarHBondContact O-N 3.25Å
102	G	80.7	Confident	88.4	Confident	73 Å²	73	55 Å²	55	75%	0.753	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-7.5	-179.4	0	0	0	0	0	115.9	F100	F100-G102 PolarHBondContact O-N 3.33Å
103	N	81.5	Confident	88.6	Confident	23 Å²	23	54.8 Å²	54.8	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	152.3	170.5	-78.7	-11.2	0	0	0	111.7	E74 K99 F100 S101 L105	E74-N103 VanDerWaalsContact O-CG 3.26Å; E74-N103 PolarHBondContact O-ND2 2.93Å; E74-N103 PolarHBondContact O-OD1 2.89Å; E74-N103 VanDerWaalsContact O-OD1 3.12Å; K99-N103 CarbonylContact C-O 3.57Å; K99-N103 WeakPolarHBondContact CA-O 3.37Å; F100-N103 HydrophobicContact CD1-CB 4.37Å; F100-N103 HydrophobicContact CE1-CB 4.1Å; F100-N103 HydrophobicContact CZ-CB 4.25Å; F100-N103 PolarHBondContact N-O 2.91Å; F100-N103 WeakPolarHBondContact O-CB 3.42Å; F100-N103 PolarHBondContact O-N 3.46Å; S101-N103 VanDerWaalsContact C-N 3.34Å; S101-N103 PolarHBondContact O-N 3.25Å; N103-L105 HydrophobicContact CB-CD2 4.45Å
104	C	86.1	Confident	88.8	Confident	54 Å²	54	51.5 Å²	51.5	37%	0.365	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	106.2	164.9	-173.3	0	0	0	0	107.1	Y72 Y98 K99	Y72-C104 WeakPolarHBondContact CE1-O 3.38Å; Y98-C104 CarbonylContact O-C 3.46Å; Y98-C104 WeakPolarHBondContact O-CA 3.34Å; K99-C104 HydrophobicContact CG-CB 4.01Å
105	L	83.3	Confident	89.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.4	177.5	-55.7	-170.8	0	0	0	109.4	L68 Y72 A90 Y98 F100 N103 L133	L68-L105 HydrophobicContact CD1-CD1 3.92Å; L68-L105 HydrophobicContact CD1-CD2 3.92Å; L68-L105 HydrophobicContact CD1-CG 4.35Å; Y72-L105 HydrophobicContact CD1-CD2 3.48Å; Y72-L105 VanDerWaalsContact CD1-CD2 3.48Å; Y72-L105 HydrophobicContact CE1-CD2 4.25Å; Y72-L105 HydrophobicContact CG-CD2 4.03Å; A90-L105 HydrophobicContact CB-CB 3.99Å; A90-L105 HydrophobicContact CB-CD1 3.97Å; Y98-L105 HydrophobicContact CD1-CD1 4.43Å; Y98-L105 PolarHBondContact N-O 3.45Å; Y98-L105 VanDerWaalsContact N-O 3.15Å; Y98-L105 PolarHBondContact O-N 3.31Å; F100-L105 HydrophobicContact CE1-CD1 3.64Å; F100-L105 HydrophobicContact CE1-CD2 4.22Å; F100-L105 HydrophobicContact CE1-CG 3.72Å; F100-L105 HydrophobicContact CZ-CD1 4.35Å; N103-L105 HydrophobicContact CB-CD2 4.45Å; L105-L133 HydrophobicContact CD1-CD1 3.83Å
106	P	80.2	Confident	89.7	Confident	51 Å²	51	44.3 Å²	44.3	33%	0.331	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.3	161.9	30	-31.4	0	0	0	108.2
107	A	88.7	Confident	90.2	Very high	23 Å²	23	43.5 Å²	43.5	19%	0.19	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-81.5	120.7	169.5	0	0	0	0	0	108.4	I96 F131	I96-A107 HydrophobicContact CB-CB 4.26Å; I96-A107 HydrophobicContact CG2-CB 4.23Å; I96-A107 VanDerWaalsContact O-CB 3.23Å; I96-A107 WeakPolarHBondContact O-CB 3.47Å; A107-F131 HydrophobicContact CB-CD2 4.23Å; A107-F131 HydrophobicContact CB-CE2 4.14Å
108	E	93.3	Very high	90.9	Very high	90 Å²	90	42.2 Å²	42.2	42%	0.421	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-68.7	158.4	170.8	-64.2	-60.8	154.8	0	0	110.4	L89 A90 M91 G92	L89-E108 HydrophobicContact CD1-CG 4.01Å; A90-E108 PolarHBondContact O-N 2.89Å; M91-E108 CarbonylContact C-O 3.6Å; M91-E108 VanDerWaalsContact CA-O 3.22Å; M91-E108 WeakPolarHBondContact CA-O 3.28Å; G92-E108 PolarHBondContact N-O 2.82Å
109	P	95.5	Very high	91.6	Very high	104 Å²	104	44.9 Å²	44.9	68%	0.675	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-53.6	148.5	165.8	-23.7	34.4	0	0	0	111.5	D111	P109-D111 PolarHBondContact O-N 2.97Å
110	W	97.7	Very high	92.2	Very high	28 Å²	28	39.3 Å²	39.3	11%	0.106	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.3	128.7	179	-68.6	98.4	0	0	0	112.5	M91 G92 N93 V114 L115 R118 V132 F228	M91-W110 HydrophobicContact CB-CD2 4.4Å; M91-W110 HydrophobicContact CB-CE3 4.2Å; G92-W110 PolarHBondContact O-NE1 3.41Å; N93-W110 PolarHBondContact OD1-NE1 3.24Å; W110-V114 HydrophobicContact CE3-CG1 4.05Å; W110-V114 HydrophobicContact CZ3-CG1 3.99Å; W110-L115 HydrophobicContact CB-CB 4.15Å; W110-L115 HydrophobicContact CB-CD1 3.7Å; W110-L115 HydrophobicContact CB-CG 4.42Å; W110-L115 HydrophobicContact CD2-CD1 3.88Å; W110-L115 HydrophobicContact CE3-CD1 4.4Å; W110-L115 HydrophobicContact CG-CD1 3.56Å; W110-R118 HydrophobicContact CH2-CB 4.28Å; W110-R118 HydrophobicContact CH2-CG 4.06Å; W110-R118 HydrophobicContact CZ3-CB 4.14Å; W110-R118 HydrophobicContact CZ3-CG 4.43Å; W110-V132 HydrophobicContact CE3-CG1 4.01Å; W110-V132 HydrophobicContact CH2-CB 3.92Å; W110-V132 HydrophobicContact CH2-CG1 3.78Å; W110-V132 HydrophobicContact CZ3-CB 3.81Å; W110-V132 HydrophobicContact CZ3-CG1 3.28Å; W110-F228 HydrophobicContact CH2-CD1 4.34Å; W110-F228 HydrophobicContact CH2-CE1 4.45Å; W110-F228 HydrophobicContact CZ3-CD1 4.44Å; W110-F228 HydrophobicContact CZ3-CE1 4.11Å
111	D	97.8	Very high	92.9	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-62	141.1	158	171.7	-91.4	0	0	0	110.2	Y60 L65 M91 P109 V113 V114 L115	Y60-D111 PolarHBondContact OH-OD2 3.09Å; L65-D111 HydrophobicContact CD2-CB 4.28Å; M91-D111 HydrophobicContact CE-CB 4.15Å; M91-D111 HydrophobicContact SD-CB 3.92Å; P109-D111 PolarHBondContact O-N 2.97Å; D111-V113 PolarHBondContact O-N 3.37Å; D111-V113 WeakPolarHBondContact OD1-CA 3.44Å; D111-V113 WeakPolarHBondContact OD1-CB 3.29Å; D111-V113 PolarHBondContact OD1-N 3.45Å; D111-V114 HydrophobicContact CB-CB 4.12Å; D111-V114 HydrophobicContact CB-CG2 3.97Å; D111-V114 PolarHBondContact O-N 3.45Å; D111-V114 PolarHBondContact OD1-N 2.87Å; D111-L115 VanDerWaalsContact O-CB 3.29Å; D111-L115 WeakPolarHBondContact O-CB 3.35Å; D111-L115 PolarHBondContact O-N 2.86Å
112	Q	97.9	Very high	93.6	Very high	115 Å²	115	36.4 Å²	36.4	54%	0.537	22%	0.217	S	C	.	.	H	α-helix	trans	-69.4	-32.5	-172.1	-63.9	-59.8	-62.7	0	0	113.8	I18 A116	I18-Q112 HydrophobicContact CD1-CB 3.79Å; Q112-A116 PolarHBondContact O-N 3.1Å; Q112-A116 VanDerWaalsContact O-N 3.09Å
113	V	98.5	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70.9	-43.1	174.4	172.4	0	0	0	0	109.5	P14 I17 I18 I21 I57 Y60 D111 L115 A116 L117	P14-V113 HydrophobicContact CB-CG2 4.23Å; I17-V113 HydrophobicContact CB-CG2 4.4Å; I17-V113 HydrophobicContact CG2-CG1 3.64Å; I17-V113 HydrophobicContact CG2-CG2 4.11Å; I18-V113 HydrophobicContact CD1-CG2 4.35Å; I18-V113 HydrophobicContact CG1-CG2 4.07Å; I21-V113 HydrophobicContact CD1-CG1 4.12Å; I57-V113 HydrophobicContact CG1-CG1 4.35Å; I57-V113 HydrophobicContact CG2-CG1 4.27Å; Y60-V113 HydrophobicContact CD1-CB 4.02Å; Y60-V113 HydrophobicContact CD1-CG1 4.13Å; Y60-V113 HydrophobicContact CD1-CG2 3.93Å; Y60-V113 HydrophobicContact CE1-CB 3.61Å; Y60-V113 HydrophobicContact CE1-CG1 4.22Å; Y60-V113 HydrophobicContact CE1-CG2 3.54Å; Y60-V113 HydrophobicContact CE2-CG2 4.19Å; Y60-V113 HydrophobicContact CG-CG2 4.41Å; D111-V113 PolarHBondContact O-N 3.37Å; D111-V113 WeakPolarHBondContact OD1-CA 3.44Å; D111-V113 WeakPolarHBondContact OD1-CB 3.29Å; D111-V113 PolarHBondContact OD1-N 3.45Å; V113-L115 VanDerWaalsContact C-N 3.32Å; V113-L115 PolarHBondContact O-N 3.47Å; V113-A116 PolarHBondContact O-N 2.94Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 2.79Å
114	V	98.5	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-35.9	177	-176.6	0	0	0	0	111.7	M91 W110 D111 L117 R118 V132 F226 F228	M91-V114 HydrophobicContact CE-CG2 4.1Å; M91-V114 HydrophobicContact SD-CB 4.04Å; M91-V114 HydrophobicContact SD-CG1 3.96Å; M91-V114 HydrophobicContact SD-CG2 4.18Å; W110-V114 HydrophobicContact CE3-CG1 4.05Å; W110-V114 HydrophobicContact CZ3-CG1 3.99Å; D111-V114 HydrophobicContact CB-CB 4.12Å; D111-V114 HydrophobicContact CB-CG2 3.97Å; D111-V114 PolarHBondContact O-N 3.45Å; D111-V114 PolarHBondContact OD1-N 2.87Å; V114-L117 WeakPolarHBondContact O-CB 3.47Å; V114-L117 PolarHBondContact O-N 2.98Å; V114-R118 PolarHBondContact O-N 2.83Å; V114-V132 HydrophobicContact CG1-CG1 3.92Å; V114-F226 HydrophobicContact CG1-CD1 4.01Å; V114-F226 HydrophobicContact CG1-CE1 4.18Å; V114-F226 HydrophobicContact CG2-CD1 4.31Å; V114-F226 HydrophobicContact CG2-CE1 3.65Å; V114-F226 HydrophobicContact CG2-CZ 4.4Å; V114-F228 HydrophobicContact CG1-CE1 4.37Å
115	L	98.4	Very high	95.5	Very high	34 Å²	34	35.9 Å²	35.9	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-44.3	173.1	-169	71.4	0	0	0	111.5	W110 D111 V113 L117 R118 D119	W110-L115 HydrophobicContact CB-CB 4.15Å; W110-L115 HydrophobicContact CB-CD1 3.7Å; W110-L115 HydrophobicContact CB-CG 4.42Å; W110-L115 HydrophobicContact CD2-CD1 3.88Å; W110-L115 HydrophobicContact CE3-CD1 4.4Å; W110-L115 HydrophobicContact CG-CD1 3.56Å; D111-L115 VanDerWaalsContact O-CB 3.29Å; D111-L115 WeakPolarHBondContact O-CB 3.35Å; D111-L115 PolarHBondContact O-N 2.86Å; V113-L115 VanDerWaalsContact C-N 3.32Å; V113-L115 PolarHBondContact O-N 3.47Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L115-L117 PolarHBondContact O-N 2.82Å; L115-R118 WeakPolarHBondContact O-CB 3.33Å; L115-R118 PolarHBondContact O-N 2.92Å; L115-D119 PolarHBondContact O-N 3.49Å
116	A	98.6	Very high	96.1	Very high	7 Å²	7	43.9 Å²	43.9	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-39.6	176	0	0	0	0	0	112	I18 I21 Q112 V113 D119 H120	I18-A116 HydrophobicContact CB-CB 4.47Å; I18-A116 HydrophobicContact CG1-CB 4.15Å; I18-A116 HydrophobicContact CG2-CB 4.1Å; I21-A116 HydrophobicContact CB-CB 4.39Å; I21-A116 HydrophobicContact CD1-CB 4.09Å; I21-A116 HydrophobicContact CG2-CB 4.11Å; I21-A116 WeakPolarHBondContact CG2-O 3.48Å; Q112-A116 PolarHBondContact O-N 3.1Å; Q112-A116 VanDerWaalsContact O-N 3.09Å; V113-A116 PolarHBondContact O-N 2.94Å; A116-D119 PolarHBondContact O-N 2.87Å; A116-H120 PolarHBondContact O-N 2.79Å
117	L	98.7	Very high	96.8	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-45.3	172.9	-70.8	172.6	0	0	0	111.7	I21 L49 I57 V113 V114 L115 D119 H120 I121 L163 F228	I21-L117 HydrophobicContact CD1-CD2 3.74Å; I21-L117 HydrophobicContact CD1-CG 3.86Å; I21-L117 HydrophobicContact CG1-CD2 4.04Å; I21-L117 HydrophobicContact CG2-CD2 4.38Å; L49-L117 HydrophobicContact CD1-CD2 4.31Å; L49-L117 HydrophobicContact CD2-CD2 4.31Å; I57-L117 HydrophobicContact CD1-CD2 4.03Å; I57-L117 HydrophobicContact CG2-CD1 4.15Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 2.79Å; V114-L117 WeakPolarHBondContact O-CB 3.47Å; V114-L117 PolarHBondContact O-N 2.98Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L115-L117 PolarHBondContact O-N 2.82Å; L117-D119 PolarHBondContact O-N 3.49Å; L117-H120 PolarHBondContact O-N 2.98Å; L117-I121 WeakPolarHBondContact O-CB 3.49Å; L117-I121 VanDerWaalsContact O-CG1 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.3Å; L117-I121 PolarHBondContact O-N 2.86Å; L117-L163 HydrophobicContact CD1-CD2 3.85Å; L117-L163 HydrophobicContact CD2-CD2 3.92Å; L117-L163 HydrophobicContact CG-CD2 4.32Å; L117-F228 HydrophobicContact CB-CZ 4.18Å
118	R	98.4	Very high	97.2	Very high	39 Å²	39	47.2 Å²	47.2	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-52.1	174.2	176.6	-140.9	59.3	-173.1	-4.7	110.2	W110 V114 L115 H120 I121 V122 Y129 F228	W110-R118 HydrophobicContact CH2-CB 4.28Å; W110-R118 HydrophobicContact CH2-CG 4.06Å; W110-R118 HydrophobicContact CZ3-CB 4.14Å; W110-R118 HydrophobicContact CZ3-CG 4.43Å; V114-R118 PolarHBondContact O-N 2.83Å; L115-R118 WeakPolarHBondContact O-CB 3.33Å; L115-R118 PolarHBondContact O-N 2.92Å; R118-H120 VanDerWaalsContact C-N 3.34Å; R118-H120 PolarHBondContact O-N 2.86Å; R118-I121 CarbonylContact O-C 3.59Å; R118-I121 PolarHBondContact O-N 3.23Å; R118-I121 VanDerWaalsContact O-N 3.11Å; R118-V122 HydrophobicContact CG-CG2 4.3Å; R118-V122 WeakPolarHBondContact O-CG2 3.42Å; R118-V122 PolarHBondContact O-N 2.91Å; R118-Y129 VanDerWaalsContact CD-O 3.23Å; R118-Y129 WeakPolarHBondContact CD-O 3.41Å; R118-F228 HydrophobicContact CB-CD1 4.07Å; R118-F228 HydrophobicContact CB-CE1 3.7Å; R118-F228 HydrophobicContact CG-CD1 4.27Å; R118-F228 HydrophobicContact CG-CE1 4.39Å
119	D	98.2	Very high	97.4	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-43.2	-177.7	-74.3	-33.6	0	0	0	113.2	L115 A116 L117 I121 V122 Q123	L115-D119 PolarHBondContact O-N 3.49Å; A116-D119 PolarHBondContact O-N 2.87Å; L117-D119 PolarHBondContact O-N 3.49Å; D119-I121 VanDerWaalsContact C-N 3.32Å; D119-I121 PolarHBondContact O-N 3.46Å; D119-V122 PolarHBondContact O-N 3.02Å; D119-Q123 WeakPolarHBondContact O-CG 3.5Å; D119-Q123 PolarHBondContact O-N 3.33Å
120	H	98.3	Very high	97.5	Very high	9 Å²	9	38.9 Å²	38.9	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-37.1	176.5	-171.9	-84.2	0	0	0	111.9	I21 L24 Y48 A116 L117 R118 Q123 S124	I21-H120 HydrophobicContact CG2-CB 3.86Å; I21-H120 PolarHBondContact O-CD2 2.65Å; L24-H120 WeakPolarHBondContact CB-NE2 3.4Å; L24-H120 PolarHBondContact O-NE2 3.11Å; Y48-H120 AromaticContact CE1-ND1 3.98Å; Y48-H120 AromaticContact CZ-CE1 3.82Å; Y48-H120 AromaticContact CZ-ND1 3.45Å; Y48-H120 PolarHBondContact OH-CE1 3.12Å; Y48-H120 PolarHBondContact OH-ND1 3.23Å; Y48-H120 PolarHBondContact OH-O 3.5Å; A116-H120 PolarHBondContact O-N 2.79Å; L117-H120 PolarHBondContact O-N 2.98Å; R118-H120 VanDerWaalsContact C-N 3.34Å; R118-H120 PolarHBondContact O-N 2.86Å; H120-Q123 PolarHBondContact O-N 2.96Å; H120-S124 WeakPolarHBondContact O-CB 3.39Å; H120-S124 PolarHBondContact O-N 3.42Å; H120-S124 PolarHBondContact O-OG 2.9Å
121	I	97.9	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-41.5	175.3	-71.8	167	0	0	0	111.3	Y48 L117 R118 D119 Q123 S124 T125 Y129 C161 L163 L198 F228	Y48-I121 HydrophobicContact CE1-CG1 3.95Å; Y48-I121 WeakPolarHBondContact OH-CA 3.23Å; Y48-I121 WeakPolarHBondContact OH-CG1 3.23Å; L117-I121 WeakPolarHBondContact O-CB 3.49Å; L117-I121 VanDerWaalsContact O-CG1 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.3Å; L117-I121 PolarHBondContact O-N 2.86Å; R118-I121 CarbonylContact O-C 3.59Å; R118-I121 PolarHBondContact O-N 3.23Å; R118-I121 VanDerWaalsContact O-N 3.11Å; D119-I121 VanDerWaalsContact C-N 3.32Å; D119-I121 PolarHBondContact O-N 3.46Å; I121-Q123 VanDerWaalsContact C-N 3.26Å; I121-Q123 PolarHBondContact O-N 3.35Å; I121-S124 CarbonylContact O-C 3.58Å; I121-S124 WeakPolarHBondContact O-CA 3.48Å; I121-S124 WeakPolarHBondContact O-CB 3.4Å; I121-S124 PolarHBondContact O-N 3.4Å; I121-T125 HydrophobicContact CG2-CG2 4.25Å; I121-T125 PolarHBondContact O-N 3.29Å; I121-T125 PolarHBondContact O-OG1 3.21Å; I121-T125 VanDerWaalsContact O-OG1 3.1Å; I121-Y129 HydrophobicContact CG2-CD2 3.98Å; I121-Y129 HydrophobicContact CG2-CE2 3.69Å; I121-C161 HydrophobicContact CG2-CB 3.94Å; I121-L163 HydrophobicContact CD1-CB 4.4Å; I121-L163 HydrophobicContact CD1-CD2 4.5Å; I121-L198 HydrophobicContact CD1-CD1 3.99Å; I121-L198 HydrophobicContact CG1-CD1 4.25Å; I121-F228 HydrophobicContact CD1-CD2 3.57Å; I121-F228 HydrophobicContact CD1-CE2 3.27Å; I121-F228 HydrophobicContact CD1-CG 4.45Å; I121-F228 HydrophobicContact CD1-CZ 3.96Å
122	V	97.9	Very high	97.5	Very high	18 Å²	18	36 Å²	36	11%	0.109	18%	0.176	C	C	.	.	H	α-helix	trans	-54.7	-45	174.9	169.3	0	0	0	0	110.4	R118 D119 T125 Q126 C127 Y129	R118-V122 HydrophobicContact CG-CG2 4.3Å; R118-V122 WeakPolarHBondContact O-CG2 3.42Å; R118-V122 PolarHBondContact O-N 2.91Å; D119-V122 PolarHBondContact O-N 3.02Å; V122-T125 PolarHBondContact O-N 3.25Å; V122-Q126 VanDerWaalsContact O-CA 3.26Å; V122-Q126 WeakPolarHBondContact O-CA 3.31Å; V122-Q126 PolarHBondContact O-N 3.49Å; V122-C127 WeakPolarHBondContact CA-O 3.49Å; V122-C127 WeakPolarHBondContact CG2-O 3.45Å; V122-Y129 HydrophobicContact CG2-CD2 3.95Å
123	Q	96.6	Very high	97.4	Very high	104 Å²	104	30.7 Å²	30.7	49%	0.486	15%	0.152	S	C	.	.	H	α-helix	trans	-66.7	-37	175.8	-65.5	178.1	28.7	0	0	112.5	I26 D119 H120 I121 T125 Q126	I26-Q123 HydrophobicContact CD1-CB 3.66Å; I26-Q123 VanDerWaalsContact CD1-OE1 3.26Å; I26-Q123 HydrophobicContact CG1-CB 4.25Å; D119-Q123 WeakPolarHBondContact O-CG 3.5Å; D119-Q123 PolarHBondContact O-N 3.33Å; H120-Q123 PolarHBondContact O-N 2.96Å; I121-Q123 VanDerWaalsContact C-N 3.26Å; I121-Q123 PolarHBondContact O-N 3.35Å; Q123-T125 VanDerWaalsContact C-N 3.34Å; Q123-T125 PolarHBondContact O-N 2.79Å; Q123-Q126 PolarHBondContact O-NE2 3.03Å
124	S	95.8	Very high	97.4	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-71.6	-26.5	-179.9	-58.5	0	0	0	0	113.7	R27 Y48 H120 I121	R27-S124 WeakPolarHBondContact O-CB 3.42Å; Y48-S124 WeakPolarHBondContact OH-CB 3.33Å; Y48-S124 PolarHBondContact OH-OG 3.36Å; H120-S124 WeakPolarHBondContact O-CB 3.39Å; H120-S124 PolarHBondContact O-N 3.42Å; H120-S124 PolarHBondContact O-OG 2.9Å; I121-S124 CarbonylContact O-C 3.58Å; I121-S124 WeakPolarHBondContact O-CA 3.48Å; I121-S124 WeakPolarHBondContact O-CB 3.4Å; I121-S124 PolarHBondContact O-N 3.4Å
125	T	95.2	Very high	97.4	Very high	32 Å²	32	30.9 Å²	30.9	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-114.6	-8.8	-176	66.7	0	0	0	0	114.3	I121 V122 Q123 C127 Y129 V200	I121-T125 HydrophobicContact CG2-CG2 4.25Å; I121-T125 PolarHBondContact O-N 3.29Å; I121-T125 PolarHBondContact O-OG1 3.21Å; I121-T125 VanDerWaalsContact O-OG1 3.1Å; V122-T125 PolarHBondContact O-N 3.25Å; Q123-T125 VanDerWaalsContact C-N 3.34Å; Q123-T125 PolarHBondContact O-N 2.79Å; T125-C127 PolarHBondContact O-N 2.98Å; T125-C127 PolarHBondContact OG1-N 2.97Å; T125-Y129 WeakPolarHBondContact OG1-CE2 3.31Å; T125-V200 HydrophobicContact CG2-CG2 4.24Å
126	Q	95.5	Very high	97.4	Very high	167 Å²	167	31.3 Å²	31.3	78%	0.78	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.8	-173.6	-56.8	-66.4	-54.4	0	0	111.6	V122 Q123	V122-Q126 VanDerWaalsContact O-CA 3.26Å; V122-Q126 WeakPolarHBondContact O-CA 3.31Å; V122-Q126 PolarHBondContact O-N 3.49Å; Q123-Q126 PolarHBondContact O-NE2 3.03Å
127	C	96.2	Very high	97.4	Very high	19 Å²	19	31.2 Å²	31.2	13%	0.128	15%	0.15	C	C	.	.			trans	-135.1	133.7	-179.3	-170.7	0	0	0	0	110.4	V122 T125 Y129	V122-C127 WeakPolarHBondContact CA-O 3.49Å; V122-C127 WeakPolarHBondContact CG2-O 3.45Å; T125-C127 PolarHBondContact O-N 2.98Å; T125-C127 PolarHBondContact OG1-N 2.97Å; C127-Y129 HydrophobicContact CB-CE2 4.19Å; C127-Y129 WeakPolarHBondContact O-CD2 3.44Å; C127-Y129 WeakPolarHBondContact O-CE2 3.19Å
128	E	96.5	Very high	97.3	Very high	126 Å²	126	34.8 Å²	34.8	59%	0.589	17%	0.169	S	C	*	.			trans	-75.2	137	177.5	-68.2	-58.9	145.8	0	0	112.2	K230	E128-K230 WeakPolarHBondContact O-CB 3.34Å; E128-K230 WeakPolarHBondContact O-CG 3.45Å
129	Y	97.7	Very high	97.2	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	17%	0.168	C	C	.	.			trans	-125.4	112.7	177.1	-66.3	-67.3	0	0	0	110.5	R118 I121 V122 T125 C127 P159 C161 F228	R118-Y129 VanDerWaalsContact CD-O 3.23Å; R118-Y129 WeakPolarHBondContact CD-O 3.41Å; I121-Y129 HydrophobicContact CG2-CD2 3.98Å; I121-Y129 HydrophobicContact CG2-CE2 3.69Å; V122-Y129 HydrophobicContact CG2-CD2 3.95Å; T125-Y129 WeakPolarHBondContact OG1-CE2 3.31Å; C127-Y129 HydrophobicContact CB-CE2 4.19Å; C127-Y129 WeakPolarHBondContact O-CD2 3.44Å; C127-Y129 WeakPolarHBondContact O-CE2 3.19Å; Y129-P159 WeakPolarHBondContact CE1-O 3.19Å; Y129-P159 PolarHBondContact OH-O 3.48Å; Y129-C161 HydrophobicContact CE2-CB 4.43Å; Y129-C161 PolarHBondContact OH-SG 3.01Å; Y129-F228 HydrophobicContact CD1-CB 3.76Å; Y129-F228 HydrophobicContact CD2-CB 4.3Å; Y129-F228 HydrophobicContact CE1-CB 4.3Å; Y129-F228 HydrophobicContact CG-CB 3.78Å
130	N	96.8	Very high	97.1	Very high	14 Å²	14	30.8 Å²	30.8	8%	0.075	15%	0.152	C	C	.	.			trans	-102.9	3.6	-179.9	61.3	5.6	0	0	0	113.2	G92 N93 R229 M231	G92-N130 VanDerWaalsContact CA-O 3.23Å; G92-N130 WeakPolarHBondContact CA-O 3.08Å; N93-N130 HydrophobicContact CB-CB 4.37Å; N93-N130 PolarHBondContact N-O 3.26Å; N130-R229 PolarHBondContact N-O 2.83Å; N130-R229 PolarHBondContact OD1-O 2.6Å; N130-M231 PolarHBondContact ND2-O 3.11Å; N130-M231 WeakPolarHBondContact OD1-CB 3.39Å; N130-M231 WeakPolarHBondContact OD1-CG 3.25Å; N130-M231 PolarHBondContact OD1-N 3.49Å
131	F	97.2	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	147.6	-179.6	-179.5	-103.2	0	0	0	112.3	A90 M91 I96 Y98 A107 L133 F228 R229 M231	A90-F131 HydrophobicContact CB-CE2 3.78Å; A90-F131 HydrophobicContact CB-CZ 3.82Å; M91-F131 WeakPolarHBondContact O-CA 3.48Å; M91-F131 VanDerWaalsContact O-CD2 3.23Å; M91-F131 WeakPolarHBondContact O-CD2 3.42Å; I96-F131 HydrophobicContact CG2-CB 4.18Å; I96-F131 HydrophobicContact CG2-CD2 3.65Å; I96-F131 HydrophobicContact CG2-CE2 4.47Å; I96-F131 HydrophobicContact CG2-CG 4.25Å; Y98-F131 AromaticContact CD1-CE1 3.91Å; Y98-F131 HydrophobicContact CD1-CE1 3.91Å; Y98-F131 AromaticContact CD1-CZ 3.74Å; Y98-F131 HydrophobicContact CD1-CZ 3.74Å; Y98-F131 HydrophobicContact CD2-CE1 4.06Å; Y98-F131 HydrophobicContact CD2-CZ 4.35Å; Y98-F131 HydrophobicContact CE1-CE1 4.5Å; Y98-F131 AromaticContact CG-CE1 3.65Å; Y98-F131 HydrophobicContact CG-CE1 3.65Å; Y98-F131 HydrophobicContact CG-CE2 4.37Å; Y98-F131 AromaticContact CG-CZ 3.53Å; Y98-F131 HydrophobicContact CG-CZ 3.53Å; A107-F131 HydrophobicContact CB-CD2 4.23Å; A107-F131 HydrophobicContact CB-CE2 4.14Å; F131-L133 HydrophobicContact CE1-CB 3.91Å; F131-L133 HydrophobicContact CZ-CB 4.32Å; F131-F228 WeakPolarHBondContact O-CA 3.19Å; F131-R229 HydrophobicContact CD1-CB 4.26Å; F131-R229 PolarHBondContact N-O 2.64Å; F131-R229 PolarHBondContact O-N 3.28Å; F131-M231 HydrophobicContact CB-CG 3.44Å; F131-M231 VanDerWaalsContact CB-CG 3.44Å; F131-M231 HydrophobicContact CB-SD 3.83Å; F131-M231 HydrophobicContact CD1-SD 3.83Å; F131-M231 HydrophobicContact CG-CG 3.99Å; F131-M231 HydrophobicContact CG-SD 3.9Å
132	V	98.2	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.2	167.8	65.9	0	0	0	0	110.8	A90 M91 W110 V114 V134 F226 T227 F228	A90-V132 WeakPolarHBondContact CA-O 3.39Å; M91-V132 HydrophobicContact CB-CG1 3.77Å; M91-V132 HydrophobicContact CG-CG1 4.38Å; M91-V132 PolarHBondContact N-O 3.45Å; M91-V132 PolarHBondContact O-N 2.95Å; M91-V132 HydrophobicContact SD-CG1 4.32Å; W110-V132 HydrophobicContact CE3-CG1 4.01Å; W110-V132 HydrophobicContact CH2-CB 3.92Å; W110-V132 HydrophobicContact CH2-CG1 3.78Å; W110-V132 HydrophobicContact CZ3-CB 3.81Å; W110-V132 HydrophobicContact CZ3-CG1 3.28Å; V114-V132 HydrophobicContact CG1-CG1 3.92Å; V132-V134 HydrophobicContact CG1-CG2 4.5Å; V132-V134 HydrophobicContact CG2-CG2 4.42Å; V132-F226 HydrophobicContact CG2-CB 3.83Å; V132-F226 HydrophobicContact CG2-CD1 4.17Å; V132-T227 WeakPolarHBondContact CA-O 3.43Å; V132-F228 HydrophobicContact CB-CD1 3.77Å; V132-F228 HydrophobicContact CB-CE1 3.9Å; V132-F228 HydrophobicContact CB-CG 4.47Å; V132-F228 HydrophobicContact CG2-CD1 3.79Å; V132-F228 HydrophobicContact CG2-CD2 4.46Å; V132-F228 HydrophobicContact CG2-CE1 3.73Å; V132-F228 HydrophobicContact CG2-CE2 4.42Å; V132-F228 HydrophobicContact CG2-CG 4.17Å; V132-F228 HydrophobicContact CG2-CZ 4.08Å
133	L	97.4	Very high	96.9	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.5	164.6	-173.9	68.3	0	0	0	109.2	Q88 A90 Y98 L105 F131 N135 T227 R229	Q88-L133 HydrophobicContact CB-CD1 4.46Å; A90-L133 HydrophobicContact CB-CD1 4.45Å; Y98-L133 HydrophobicContact CD1-CD1 4.41Å; Y98-L133 HydrophobicContact CE1-CD2 3.88Å; L105-L133 HydrophobicContact CD1-CD1 3.83Å; F131-L133 HydrophobicContact CE1-CB 3.91Å; F131-L133 HydrophobicContact CZ-CB 4.32Å; L133-N135 PolarHBondContact O-ND2 3.23Å; L133-T227 PolarHBondContact N-O 3.09Å; L133-T227 PolarHBondContact O-N 3.42Å; L133-R229 VanDerWaalsContact CB-NH1 3.33Å
134	V	98.2	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.7	171.9	-167.5	0	0	0	0	108.5	L65 Y67 Q88 L89 M91 V132 I224 N225 F226	L65-V134 HydrophobicContact CD1-CG1 4.28Å; Y67-V134 HydrophobicContact CE1-CG1 4.09Å; Q88-V134 CarbonylContact C-O 3.57Å; Q88-V134 VanDerWaalsContact CA-O 3.24Å; Q88-V134 WeakPolarHBondContact CA-O 3.29Å; L89-V134 HydrophobicContact CB-CB 4.17Å; L89-V134 PolarHBondContact N-O 2.77Å; L89-V134 PolarHBondContact O-N 3.15Å; M91-V134 HydrophobicContact CE-CG2 3.98Å; V132-V134 HydrophobicContact CG1-CG2 4.5Å; V132-V134 HydrophobicContact CG2-CG2 4.42Å; V134-I224 HydrophobicContact CG1-CG2 3.64Å; V134-N225 CarbonylContact C-O 3.5Å; V134-N225 WeakPolarHBondContact CA-O 3.43Å; V134-F226 HydrophobicContact CB-CD1 4.42Å; V134-F226 HydrophobicContact CB-CE1 4.44Å; V134-F226 HydrophobicContact CG1-CD1 4.15Å; V134-F226 HydrophobicContact CG1-CE1 3.85Å; V134-F226 HydrophobicContact CG1-CZ 4.31Å; V134-F226 HydrophobicContact CG2-CD1 3.65Å; V134-F226 HydrophobicContact CG2-CE1 3.74Å
135	N	98.1	Very high	96.9	Very high	4 Å²	4	36 Å²	36	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.8	174	-66.9	-87.8	0	0	0	109.2	R86 Q87 Q88 L133 Y137 I224 N225	R86-N135 WeakPolarHBondContact CD-OD1 3.3Å; R86-N135 PolarHBondContact NE-OD1 2.91Å; Q87-N135 WeakPolarHBondContact O-CA 3.29Å; Q88-N135 WeakPolarHBondContact CG-OD1 3.44Å; Q88-N135 PolarHBondContact NE2-OD1 2.93Å; L133-N135 PolarHBondContact O-ND2 3.23Å; N135-Y137 HydrophobicContact CB-CD2 4.4Å; N135-Y137 HydrophobicContact CB-CE2 3.51Å; N135-I224 CarbonylContact O-C 3.59Å; N135-I224 WeakPolarHBondContact O-CA 3.37Å; N135-N225 HydrophobicContact CB-CB 4.47Å; N135-N225 PolarHBondContact N-O 3.3Å; N135-N225 PolarHBondContact O-N 3.47Å
136	R	98.3	Very high	96.9	Very high	43 Å²	43	37 Å²	37	16%	0.162	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.3	174.1	178.2	-179.5	-175.5	-89.8	2.8	110.6	E62 Y67 R86 Q87 V222 R223 I224	E62-R136 WeakPolarHBondContact OE1-CD 3.27Å; E62-R136 IonicContact OE1-CZ 3.39Å; E62-R136 IonicContact OE1-NE 3.3Å; E62-R136 PolarHBondContact OE1-NE 2.87Å; E62-R136 IonicContact OE1-NH2 3.59Å; E62-R136 IonicContact OE2-CZ 2.88Å; E62-R136 IonicContact OE2-NE 2.85Å; E62-R136 PolarHBondContact OE2-NE 2.87Å; E62-R136 IonicContact OE2-NH2 2.65Å; E62-R136 PolarHBondContact OE2-NH2 3.19Å; Y67-R136 HydrophobicContact CD1-CB 4.23Å; Y67-R136 HydrophobicContact CE1-CB 3.6Å; Y67-R136 HydrophobicContact CE2-CB 4.09Å; Y67-R136 HydrophobicContact CE2-CG 4.27Å; Y67-R136 VanDerWaalsContact CZ-CD 3.44Å; R86-R136 WeakPolarHBondContact CB-O 3.47Å; Q87-R136 HydrophobicContact CB-CB 4.19Å; Q87-R136 PolarHBondContact N-O 2.89Å; Q87-R136 PolarHBondContact O-N 2.93Å; R136-V222 HydrophobicContact CG-CG1 4.12Å; R136-R223 WeakPolarHBondContact CA-O 3.29Å; R136-I224 HydrophobicContact CB-CG1 4.38Å; R136-I224 HydrophobicContact CG-CG1 4.24Å
137	Y	98.2	Very high	96.8	Very high	6 Å²	6	31.1 Å²	31.1	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.7	178.3	-56.2	-97.8	0	0	0	107.3	R86 N135 S139 N142 L213 V222 R223 N225	R86-Y137 HydrophobicContact CB-CD1 3.85Å; R86-Y137 HydrophobicContact CB-CE1 3.88Å; R86-Y137 HydrophobicContact CB-CG 4.43Å; R86-Y137 VanDerWaalsContact CD-CZ 3.42Å; R86-Y137 VanDerWaalsContact CD-OH 3.31Å; R86-Y137 WeakPolarHBondContact CD-OH 3.39Å; R86-Y137 HydrophobicContact CG-CE1 4.2Å; N135-Y137 HydrophobicContact CB-CD2 4.4Å; N135-Y137 HydrophobicContact CB-CE2 3.51Å; Y137-S139 PolarHBondContact O-N 3.32Å; Y137-N142 WeakPolarHBondContact CA-OD1 2.85Å; Y137-N142 HydrophobicContact CD1-CB 3.75Å; Y137-N142 HydrophobicContact CG-CB 4.31Å; Y137-L213 HydrophobicContact CD1-CD2 3.71Å; Y137-L213 HydrophobicContact CD2-CD2 4.3Å; Y137-L213 HydrophobicContact CE1-CD2 3.52Å; Y137-L213 HydrophobicContact CE2-CD2 4.15Å; Y137-L213 HydrophobicContact CG-CD2 4.11Å; Y137-V222 CarbonylContact O-C 3.46Å; Y137-V222 VanDerWaalsContact O-CA 3.3Å; Y137-V222 WeakPolarHBondContact O-CA 3.33Å; Y137-R223 HydrophobicContact CD2-CB 4.43Å; Y137-R223 HydrophobicContact CD2-CG 4.33Å; Y137-R223 VanDerWaalsContact CE2-NH1 3.33Å; Y137-R223 PolarHBondContact N-O 3.31Å; Y137-R223 PolarHBondContact O-N 2.86Å; Y137-N225 HydrophobicContact CE2-CB 4.38Å
138	N	96.6	Very high	96.7	Very high	77 Å²	77	32.7 Å²	32.7	41%	0.412	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-17.8	-177.1	70.4	15	0	0	0	113.6	N142 G221	N138-N142 PolarHBondContact N-OD1 2.78Å; N138-N142 VanDerWaalsContact OD1-CG 3.26Å; N138-N142 PolarHBondContact OD1-ND2 2.76Å; N138-N142 VanDerWaalsContact OD1-ND2 3.11Å; N138-N142 PolarHBondContact OD1-OD1 3.4Å; N138-G221 CarbonylContact C-O 3.59Å; N138-G221 CarbonylContact O-C 3.59Å
139	S	96.1	Very high	96.6	Very high	17 Å²	17	27.2 Å²	27.2	12%	0.119	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	175.5	-176	64.6	0	0	0	0	111.2	Y137 N141 N142 R169 G221	Y137-S139 PolarHBondContact O-N 3.32Å; S139-N141 PolarHBondContact O-N 2.95Å; S139-N141 VanDerWaalsContact O-N 3.12Å; S139-N141 WeakPolarHBondContact OG-CB 3.34Å; S139-N141 PolarHBondContact OG-N 2.71Å; S139-N142 PolarHBondContact O-N 3.19Å; S139-N142 VanDerWaalsContact O-N 3.13Å; S139-R169 PolarHBondContact O-NH1 2.81Å; S139-R169 VanDerWaalsContact O-NH1 3.09Å; S139-G221 WeakPolarHBondContact CA-O 3.47Å
140	G	96.1	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-11.5	167.1	0	0	0	0	0	115.2	K215 R216 Q219	G140-K215 WeakPolarHBondContact O-CG 3.23Å; G140-R216 VanDerWaalsContact CA-O 3.3Å; G140-R216 WeakPolarHBondContact CA-O 3.43Å; G140-R216 CarbonylContact O-C 3.52Å; G140-R216 PolarHBondContact O-N 2.82Å; G140-Q219 VanDerWaalsContact CA-O 3.3Å; G140-Q219 WeakPolarHBondContact CA-O 3.46Å; G140-Q219 PolarHBondContact N-O 2.83Å
141	N	96.6	Very high	95.7	Very high	66 Å²	66	32.6 Å²	32.6	35%	0.353	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-23.2	174	-73.4	-49.1	0	0	0	113.2	S139 K215	S139-N141 PolarHBondContact O-N 2.95Å; S139-N141 VanDerWaalsContact O-N 3.12Å; S139-N141 WeakPolarHBondContact OG-CB 3.34Å; S139-N141 PolarHBondContact OG-N 2.71Å; N141-K215 WeakPolarHBondContact OD1-CE 3.49Å
142	N	97.5	Very high	95.3	Very high	17 Å²	17	38.5 Å²	38.5	9%	0.091	20%	0.202	C	C	.	.			trans	-82.9	141.2	174.7	-59.5	176.5	0	0	0	109.3	P85 R86 Y137 N138 S139 R169	P85-N142 VanDerWaalsContact O-CB 3.3Å; P85-N142 WeakPolarHBondContact O-CB 3.42Å; P85-N142 PolarHBondContact O-ND2 2.86Å; P85-N142 PolarHBondContact O-OD1 2.79Å; R86-N142 HydrophobicContact CB-CB 4.28Å; Y137-N142 WeakPolarHBondContact CA-OD1 2.85Å; Y137-N142 HydrophobicContact CD1-CB 3.75Å; Y137-N142 HydrophobicContact CG-CB 4.31Å; N138-N142 PolarHBondContact N-OD1 2.78Å; N138-N142 VanDerWaalsContact OD1-CG 3.26Å; N138-N142 PolarHBondContact OD1-ND2 2.76Å; N138-N142 VanDerWaalsContact OD1-ND2 3.11Å; N138-N142 PolarHBondContact OD1-OD1 3.4Å; S139-N142 PolarHBondContact O-N 3.19Å; S139-N142 VanDerWaalsContact O-N 3.13Å; N142-R169 PolarHBondContact O-NH2 3.47Å
143	Y	96.8	Very high	94.9	Very high	100 Å²	100	39.9 Å²	39.9	39%	0.392	21%	0.209	S	C	.	.			trans	-149.2	167.5	-173.8	66.3	-87.3	0	0	0	111.5	P85 R86 L213 K215	P85-Y143 HydrophobicContact CB-CD1 4.13Å; P85-Y143 HydrophobicContact CB-CE1 4Å; P85-Y143 HydrophobicContact CG-CD1 3.66Å; P85-Y143 HydrophobicContact CG-CD2 4.38Å; P85-Y143 HydrophobicContact CG-CE1 3.65Å; P85-Y143 HydrophobicContact CG-CE2 4.36Å; P85-Y143 HydrophobicContact CG-CG 4.03Å; P85-Y143 VanDerWaalsContact CG-O 3.29Å; P85-Y143 WeakPolarHBondContact CG-O 3.46Å; R86-Y143 PolarHBondContact NH1-O 3.35Å; Y143-L213 WeakPolarHBondContact CA-O 3.33Å; Y143-L213 WeakPolarHBondContact CB-O 3.49Å; Y143-K215 HydrophobicContact CD1-CB 4.34Å
144	I	96.6	Very high	94.6	Very high	22 Å²	22	40.2 Å²	40.2	11%	0.113	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.3	161.6	-172.9	167.7	0	0	0	107.3	R86 H147 S212 L213	R86-I144 VanDerWaalsContact CZ-CD1 3.46Å; I144-H147 WeakPolarHBondContact CD1-CE1 3.31Å; I144-H147 WeakPolarHBondContact CD1-NE2 3.26Å; I144-S212 WeakPolarHBondContact O-CB 3.31Å; I144-L213 HydrophobicContact CG2-CB 3.66Å; I144-L213 PolarHBondContact N-O 3.46Å; I144-L213 PolarHBondContact O-N 2.92Å; I144-L213 VanDerWaalsContact O-N 3.12Å
145	G	94.9	Very high	94.5	Very high	39 Å²	39	41.9 Å²	41.9	40%	0.402	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	172.5	178.6	0	0	0	0	0	111.8	H147	G145-H147 PolarHBondContact O-N 2.78Å; G145-H147 PolarHBondContact O-ND1 2.89Å
146	E	95	Very high	94.2	Very high	52 Å²	52	45.2 Å²	45.2	24%	0.243	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	120.1	174.4	-74.3	179.3	-173.4	0	0	111.2	R174 R179 Y210 H211	E146-R174 VanDerWaalsContact OE1-CD 3.32Å; E146-R174 WeakPolarHBondContact OE1-CD 3.5Å; E146-R174 IonicContact OE1-CZ 3.89Å; E146-R174 IonicContact OE1-NE 3.99Å; E146-R174 PolarHBondContact OE1-NE 3.19Å; E146-R174 IonicContact OE1-NH1 2.83Å; E146-R174 PolarHBondContact OE1-NH1 3.35Å; E146-R179 VanDerWaalsContact CB-NH2 3.28Å; E146-R179 IonicContact OE2-CZ 3.96Å; E146-R179 IonicContact OE2-NE 2.86Å; E146-R179 PolarHBondContact OE2-NE 2.88Å; E146-R179 IonicContact OE2-NH2 2.93Å; E146-R179 PolarHBondContact OE2-NH2 2.85Å; E146-Y210 HydrophobicContact CB-CD1 4.24Å; E146-Y210 HydrophobicContact CB-CG 4.46Å; E146-H211 WeakPolarHBondContact CA-O 3.35Å
147	H	94.5	Very high	94	Very high	44 Å²	44	49.4 Å²	49.4	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	177.1	175.8	62.6	-61.5	0	0	0	109	I144 G145 D149 Y210 H211	I144-H147 WeakPolarHBondContact CD1-CE1 3.31Å; I144-H147 WeakPolarHBondContact CD1-NE2 3.26Å; G145-H147 PolarHBondContact O-N 2.78Å; G145-H147 PolarHBondContact O-ND1 2.89Å; H147-D149 IonicContact CD2-OD1 3.32Å; H147-D149 PolarHBondContact CD2-OD1 3.12Å; H147-D149 IonicContact NE2-OD1 3.37Å; H147-Y210 CarbonylContact O-C 3.54Å; H147-Y210 VanDerWaalsContact O-CA 3.22Å; H147-Y210 WeakPolarHBondContact O-CA 3.28Å; H147-H211 AromaticContact CD2-NE2 3.55Å; H147-H211 AromaticContact CE1-CD2 3.3Å; H147-H211 PolarHBondContact CE1-CD2 3.14Å; H147-H211 AromaticContact CE1-NE2 3.41Å; H147-H211 PolarHBondContact CE1-NE2 2.89Å; H147-H211 PolarHBondContact N-O 3.45Å; H147-H211 AromaticContact ND1-CD2 3.91Å; H147-H211 PolarHBondContact ND1-O 2.94Å; H147-H211 VanDerWaalsContact ND1-O 3.08Å; H147-H211 AromaticContact NE2-CD2 3.54Å; H147-H211 AromaticContact NE2-NE2 3.12Å; H147-H211 PolarHBondContact NE2-NE2 3.32Å; H147-H211 VanDerWaalsContact NE2-NE2 3.12Å; H147-H211 PolarHBondContact O-N 3.46Å
148	R	94.1	Very high	94	Very high	52 Å²	52	49.8 Å²	49.8	20%	0.196	27%	0.272	C	S	.	.			trans	-128.9	-4	-174.4	-75.3	-164.8	-58.9	176.2	-0.9	114.5	N150 N206 R207 W209 Y210	R148-N150 VanDerWaalsContact C-N 3.31Å; R148-N150 HydrophobicContact CB-CB 4.16Å; R148-N150 PolarHBondContact O-N 3.19Å; R148-N206 WeakPolarHBondContact CB-O 3.35Å; R148-N206 WeakPolarHBondContact O-CB 3.3Å; R148-N206 PolarHBondContact O-ND2 3.23Å; R148-N206 VanDerWaalsContact O-ND2 3.17Å; R148-R207 PolarHBondContact NH1-O 3.22Å; R148-R207 VanDerWaalsContact NH1-O 3.09Å; R148-W209 WeakPolarHBondContact CG-O 3.4Å; R148-Y210 HydrophobicContact CG-CD1 3.57Å; R148-Y210 HydrophobicContact CG-CD2 4.43Å; R148-Y210 HydrophobicContact CG-CE1 3.79Å; R148-Y210 HydrophobicContact CG-CG 3.91Å
149	D	93.2	Very high	94	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.053	26%	0.259	C	S	.	.			trans	44.1	57.3	-166.9	-62.3	-37.4	0	0	0	111.6	H147 E151 L154 I160 N206 H211 R229	H147-D149 IonicContact CD2-OD1 3.32Å; H147-D149 PolarHBondContact CD2-OD1 3.12Å; H147-D149 IonicContact NE2-OD1 3.37Å; D149-E151 WeakPolarHBondContact CA-OE2 3.39Å; D149-L154 HydrophobicContact CB-CD1 4.05Å; D149-L154 WeakPolarHBondContact O-CD1 3.42Å; D149-I160 HydrophobicContact CB-CD1 3.51Å; D149-I160 WeakPolarHBondContact OD2-CD1 3.41Å; D149-N206 WeakPolarHBondContact CB-ND2 3.28Å; D149-H211 IonicContact OD2-CE1 3.19Å; D149-H211 IonicContact OD2-NE2 2.89Å; D149-H211 PolarHBondContact OD2-NE2 3Å; D149-R229 VanDerWaalsContact CG-NH2 3.3Å; D149-R229 IonicContact OD1-CZ 2.98Å; D149-R229 IonicContact OD1-NE 2.88Å; D149-R229 IonicContact OD1-NH2 3.08Å; D149-R229 PolarHBondContact OD1-NH2 3.37Å; D149-R229 IonicContact OD2-CZ 2.72Å; D149-R229 IonicContact OD2-NE 2.6Å; D149-R229 IonicContact OD2-NH2 3.61Å; D149-R229 PolarHBondContact OD2-NH2 3.23Å
150	N	87.3	Confident	94.1	Very high	95 Å²	95	46.9 Å²	46.9	51%	0.508	26%	0.256	S	S	.	.			trans	-111.6	28.3	-176.3	72.2	-63.7	0	0	0	112	R148	R148-N150 VanDerWaalsContact C-N 3.31Å; R148-N150 HydrophobicContact CB-CB 4.16Å; R148-N150 PolarHBondContact O-N 3.19Å
151	E	89	Confident	94.2	Very high	36 Å²	36	46.9 Å²	46.9	17%	0.168	26%	0.256	C	S	.	.			trans	-63.9	146.4	176.8	-62.5	68.6	-149.7	0	0	111	Y98 K99 F100 D149 D153 L154	Y98-E151 HydrophobicContact CE2-CG 4.24Å; K99-E151 WeakPolarHBondContact O-CG 3.33Å; F100-E151 HydrophobicContact CB-CG 4.11Å; D149-E151 WeakPolarHBondContact CA-OE2 3.39Å; E151-D153 VanDerWaalsContact C-N 3.26Å; E151-D153 WeakPolarHBondContact CB-OD1 3.42Å; E151-D153 PolarHBondContact O-N 2.89Å; E151-L154 HydrophobicContact CB-CD1 4.23Å; E151-L154 HydrophobicContact CB-CG 4.2Å; E151-L154 PolarHBondContact O-N 3.08Å; E151-L154 VanDerWaalsContact OE2-CD1 3.27Å; E151-L154 WeakPolarHBondContact OE2-CD1 3.28Å
152	T	87.9	Confident	94.3	Very high	124 Å²	124	44 Å²	44	76%	0.761	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-14.7	-174.1	51.5	0	0	0	0	113.6	L154 R232	T152-L154 VanDerWaalsContact C-N 3.33Å; T152-R232 PolarHBondContact O-NH1 3.45Å
153	D	89.9	Confident	94.3	Very high	29 Å²	29	43.1 Å²	43.1	16%	0.155	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.9	174.4	55.7	-2.6	0	0	0	112.5	K99 E151 M231 R232	K99-D153 PolarHBondContact N-OD2 3.49Å; E151-D153 VanDerWaalsContact C-N 3.26Å; E151-D153 WeakPolarHBondContact CB-OD1 3.42Å; E151-D153 PolarHBondContact O-N 2.89Å; D153-M231 HydrophobicContact CB-CE 3.7Å; D153-M231 CarbonylContact O-C 3.56Å; D153-M231 WeakPolarHBondContact O-CA 3.36Å; D153-M231 VanDerWaalsContact OD2-CE 3.31Å; D153-M231 WeakPolarHBondContact OD2-CE 3.47Å; D153-R232 PolarHBondContact O-N 3.28Å
154	L	92.8	Very high	94.4	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-80.3	142.5	175.6	-61.4	178.5	0	0	0	112.4	D149 E151 T152 P156 I160 R229 M231 R232	D149-L154 HydrophobicContact CB-CD1 4.05Å; D149-L154 WeakPolarHBondContact O-CD1 3.42Å; E151-L154 HydrophobicContact CB-CD1 4.23Å; E151-L154 HydrophobicContact CB-CG 4.2Å; E151-L154 PolarHBondContact O-N 3.08Å; E151-L154 VanDerWaalsContact OE2-CD1 3.27Å; E151-L154 WeakPolarHBondContact OE2-CD1 3.28Å; T152-L154 VanDerWaalsContact C-N 3.33Å; L154-P156 VanDerWaalsContact O-CD 3.26Å; L154-P156 WeakPolarHBondContact O-CD 3.46Å; L154-I160 HydrophobicContact CD1-CD1 4.44Å; L154-R229 HydrophobicContact CD2-CB 3.91Å; L154-R229 VanDerWaalsContact CD2-CD 3.46Å; L154-R229 HydrophobicContact CD2-CG 4.27Å; L154-M231 HydrophobicContact CD2-CE 3.79Å; L154-M231 HydrophobicContact CD2-SD 3.43Å; L154-M231 WeakPolarHBondContact CD2-SD 3.19Å; L154-R232 PolarHBondContact O-NE 3.46Å
155	D	94.5	Very high	94.5	Very high	35 Å²	35	37.5 Å²	37.5	19%	0.187	21%	0.213	C	C	.	.			trans	-70.9	110	165.1	-175.7	-14.1	0	0	0	108.6	N157 A158 K230	D155-N157 PolarHBondContact O-N 2.79Å; D155-N157 VanDerWaalsContact O-N 3.15Å; D155-N157 PolarHBondContact OD1-N 3.44Å; D155-A158 HydrophobicContact CB-CB 3.92Å; D155-A158 PolarHBondContact O-N 3.3Å; D155-K230 HydrophobicContact CB-CB 4.21Å; D155-K230 HydrophobicContact CB-CD 4.24Å; D155-K230 HydrophobicContact CB-CG 4.19Å; D155-K230 WeakPolarHBondContact CB-O 3.44Å; D155-K230 PolarHBondContact N-O 3.31Å; D155-K230 WeakPolarHBondContact OD2-CD 3.33Å; D155-K230 WeakPolarHBondContact OD2-CE 3.14Å; D155-K230 IonicContact OD2-NZ 3.75Å; D155-K230 PolarHBondContact OD2-NZ 2.87Å
156	P	93	Very high	94.7	Very high	74 Å²	74	36.4 Å²	36.4	48%	0.481	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.4	-173.9	32.5	-38.4	0	0	0	113	L154 P203	L154-P156 VanDerWaalsContact O-CD 3.26Å; L154-P156 WeakPolarHBondContact O-CD 3.46Å; P156-P203 WeakPolarHBondContact O-CG 3.32Å
157	N	94.5	Very high	94.8	Very high	131 Å²	131	35.8 Å²	35.8	70%	0.701	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-6.2	-179.8	-60.3	-38	0	0	0	112.1	D155 P203	D155-N157 PolarHBondContact O-N 2.79Å; D155-N157 VanDerWaalsContact O-N 3.15Å; D155-N157 PolarHBondContact OD1-N 3.44Å; N157-P203 WeakPolarHBondContact O-CG 3.37Å
158	A	96.6	Very high	95	Very high	13 Å²	13	38.3 Å²	38.3	11%	0.107	21%	0.211	C	C	.	.	S	Bend	trans	-91.2	136	178.2	0	0	0	0	0	111.1	D155 K230	D155-A158 HydrophobicContact CB-CB 3.92Å; D155-A158 PolarHBondContact O-N 3.3Å; A158-K230 HydrophobicContact CB-CB 3.6Å; A158-K230 HydrophobicContact CB-CD 3.92Å; A158-K230 HydrophobicContact CB-CG 4.37Å
159	P	97	Very high	95.2	Very high	22 Å²	22	35.9 Å²	35.9	14%	0.143	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-64.3	145.3	170.9	-18.9	31.7	0	0	0	111.6	Y129 V200 M201 K202	Y129-P159 WeakPolarHBondContact CE1-O 3.19Å; Y129-P159 PolarHBondContact OH-O 3.48Å; P159-V200 HydrophobicContact CB-CG1 3.75Å; P159-M201 CarbonylContact C-O 3.51Å; P159-M201 VanDerWaalsContact CA-O 3.28Å; P159-M201 WeakPolarHBondContact CA-O 3.47Å; P159-K202 HydrophobicContact CB-CG 4.01Å; P159-K202 HydrophobicContact CG-CG 4.06Å
160	I	98	Very high	95.4	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.062	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.3	168.4	-64.3	-173.9	0	0	0	109.1	D149 L154 M201 N206 T227 R229	D149-I160 HydrophobicContact CB-CD1 3.51Å; D149-I160 WeakPolarHBondContact OD2-CD1 3.41Å; L154-I160 HydrophobicContact CD1-CD1 4.44Å; I160-M201 HydrophobicContact CB-CE 4.02Å; I160-M201 HydrophobicContact CG2-CE 3.76Å; I160-M201 PolarHBondContact N-O 2.84Å; I160-M201 PolarHBondContact O-N 2.8Å; I160-N206 WeakPolarHBondContact CD1-ND2 3.49Å; I160-T227 HydrophobicContact CG2-CG2 3.27Å; I160-R229 HydrophobicContact CD1-CG 4.26Å; I160-R229 HydrophobicContact CG1-CG 4.24Å; I160-R229 HydrophobicContact CG2-CG 4.23Å
161	C	98	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.4	178.6	-76.9	0	0	0	0	111.6	I121 Y129 L198 L199 T227 F228	I121-C161 HydrophobicContact CG2-CB 3.94Å; Y129-C161 HydrophobicContact CE2-CB 4.43Å; Y129-C161 PolarHBondContact OH-SG 3.01Å; C161-L198 HydrophobicContact CB-CD1 4.28Å; C161-L199 CarbonylContact C-O 3.57Å; C161-T227 CarbonylContact O-C 3.49Å; C161-T227 VanDerWaalsContact O-CA 3.29Å; C161-T227 WeakPolarHBondContact O-CA 3.39Å; C161-F228 HydrophobicContact CB-CB 4.21Å; C161-F228 PolarHBondContact N-O 3.02Å; C161-F228 VanDerWaalsContact N-O 3.11Å; C161-F228 PolarHBondContact O-N 3.31Å
162	S	98.4	Very high	96.4	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.028	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	102.1	-174.7	-177.5	0	0	0	0	109.8	L199 N225 F226	S162-L199 PolarHBondContact N-O 3.19Å; S162-L199 PolarHBondContact O-N 3.45Å; S162-N225 PolarHBondContact OG-OD1 3.24Å; S162-F226 WeakPolarHBondContact CA-O 3.29Å
163	L	98.7	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.3	175.9	178.4	72.2	0	0	0	109.6	Y48 L49 L117 I121 S197 L198 N225 F226 F228	Y48-L163 HydrophobicContact CD1-CD1 3.78Å; Y48-L163 HydrophobicContact CE1-CD1 4.38Å; L49-L163 HydrophobicContact CD1-CD1 3.99Å; L49-L163 HydrophobicContact CD1-CD2 4.17Å; L49-L163 HydrophobicContact CG-CD1 4.17Å; L117-L163 HydrophobicContact CD1-CD2 3.85Å; L117-L163 HydrophobicContact CD2-CD2 3.92Å; L117-L163 HydrophobicContact CG-CD2 4.32Å; I121-L163 HydrophobicContact CD1-CB 4.4Å; I121-L163 HydrophobicContact CD1-CD2 4.5Å; L163-S197 WeakPolarHBondContact CA-O 3.19Å; L163-L198 HydrophobicContact CB-CD1 4.14Å; L163-L198 HydrophobicContact CD1-CD1 4.49Å; L163-N225 WeakPolarHBondContact O-CA 3.43Å; L163-F226 HydrophobicContact CB-CB 4.31Å; L163-F226 HydrophobicContact CD2-CD2 4.24Å; L163-F226 PolarHBondContact N-O 3.43Å; L163-F226 PolarHBondContact O-N 3.18Å; L163-F228 HydrophobicContact CB-CE2 4.27Å
164	S	98.8	Very high	97.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.8	-175.6	-64.5	0	0	0	0	112.6	D194 G196 S197 R223	S164-D194 WeakPolarHBondContact CB-O 3.34Å; S164-G196 WeakPolarHBondContact O-CA 3.46Å; S164-G196 PolarHBondContact O-N 3.49Å; S164-S197 PolarHBondContact N-O 2.8Å; S164-R223 PolarHBondContact OG-NH2 3.33Å
165	L	98.8	Very high	97.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	152.4	172.9	-57.6	-178.7	0	0	0	111.5	L49 A54 I57 L58 H195 R223 I224 F226	L49-L165 HydrophobicContact CD1-CD2 4Å; A54-L165 HydrophobicContact CB-CD2 3.95Å; I57-L165 HydrophobicContact CB-CD1 3.96Å; I57-L165 HydrophobicContact CG2-CD1 3.43Å; I57-L165 VanDerWaalsContact CG2-CD1 3.43Å; L58-L165 HydrophobicContact CB-CB 4.33Å; L58-L165 HydrophobicContact CB-CD1 4.47Å; L58-L165 HydrophobicContact CD1-CB 4.13Å; L165-H195 WeakPolarHBondContact CA-ND1 3.43Å; L165-R223 CarbonylContact O-C 3.59Å; L165-R223 VanDerWaalsContact O-CA 3.25Å; L165-R223 WeakPolarHBondContact O-CA 3.28Å; L165-R223 WeakPolarHBondContact O-CG 3.46Å; L165-I224 HydrophobicContact CB-CB 4.43Å; L165-I224 PolarHBondContact N-O 3.36Å; L165-I224 PolarHBondContact O-N 2.94Å; L165-F226 HydrophobicContact CD1-CE2 3.7Å; L165-F226 HydrophobicContact CG-CE2 4.26Å
166	G	98.3	Very high	97.4	Very high	17 Å²	17	30.7 Å²	30.7	18%	0.175	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-138.9	-179.6	0	0	0	0	0	114.3	K168 H195 V222	G166-K168 PolarHBondContact O-N 3.47Å; G166-H195 PolarHBondContact N-CE1 3.32Å; G166-H195 PolarHBondContact N-ND1 3.18Å; G166-H195 WeakPolarHBondContact O-CB 3.35Å; G166-V222 CarbonylContact C-O 3.59Å; G166-V222 WeakPolarHBondContact CA-O 3.34Å
167	L	98	Very high	97.5	Very high	38 Å²	38	30.3 Å²	30.3	20%	0.199	15%	0.148	C	C	.	.	S	Bend	trans	-55.7	124.9	-171.7	176.1	65.4	0	0	0	112.3	R169 Q219 G221 V222 R223	L167-R169 HydrophobicContact CG-CG 4.45Å; L167-R169 WeakPolarHBondContact O-CG 3.3Å; L167-R169 PolarHBondContact O-N 2.91Å; L167-Q219 HydrophobicContact CD1-CB 4.39Å; L167-Q219 HydrophobicContact CD2-CB 3.9Å; L167-G221 VanDerWaalsContact CD2-O 3.26Å; L167-G221 WeakPolarHBondContact CD2-O 3.41Å; L167-V222 WeakPolarHBondContact CB-O 3.28Å; L167-V222 PolarHBondContact N-O 3.36Å; L167-R223 HydrophobicContact CB-CB 4.26Å
168	K	98.2	Very high	97.5	Very high	97 Å²	97	26 Å²	26	42%	0.422	13%	0.128	S	C	.	.			trans	-60.5	130.6	171.9	-172.1	-175.8	-42.7	-150.3	0	110.6	G166 K192 L193 D194 Q219	G166-K168 PolarHBondContact O-N 3.47Å; K168-K192 HydrophobicContact CD-CB 4.05Å; K168-K192 HydrophobicContact CD-CD 4.31Å; K168-K192 HydrophobicContact CG-CB 4.27Å; K168-L193 VanDerWaalsContact CA-O 3.28Å; K168-L193 WeakPolarHBondContact CA-O 3.27Å; K168-L193 WeakPolarHBondContact CG-O 3.45Å; K168-D194 WeakPolarHBondContact CD-OD1 3.17Å; K168-D194 WeakPolarHBondContact CE-OD1 3.43Å; K168-D194 IonicContact NZ-OD1 3.36Å; K168-D194 PolarHBondContact NZ-OD1 2.81Å; K168-Q219 PolarHBondContact O-NE2 3.1Å
169	R	98.1	Very high	97.1	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145	-177.6	-68.3	-65.9	-69.5	-90.7	-1.3	112.2	S139 N142 L167 L193 L213 P214 R223	S139-R169 PolarHBondContact O-NH1 2.81Å; S139-R169 VanDerWaalsContact O-NH1 3.09Å; N142-R169 PolarHBondContact O-NH2 3.47Å; L167-R169 HydrophobicContact CG-CG 4.45Å; L167-R169 WeakPolarHBondContact O-CG 3.3Å; L167-R169 PolarHBondContact O-N 2.91Å; R169-L193 PolarHBondContact N-O 3.06Å; R169-L193 PolarHBondContact O-N 2.94Å; R169-L213 HydrophobicContact CB-CD1 3.64Å; R169-L213 HydrophobicContact CB-CD2 4.39Å; R169-L213 HydrophobicContact CB-CG 4.17Å; R169-L213 HydrophobicContact CG-CD1 4.4Å; R169-L213 HydrophobicContact CG-CD2 4.31Å; R169-P214 PolarHBondContact NH2-O 3.28Å; R169-R223 VanDerWaalsContact CG-CD 3.44Å
170	D	98.1	Very high	96.9	Very high	18 Å²	18	35.7 Å²	35.7	10%	0.096	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.8	166.7	-74.9	-12.5	0	0	0	109.7	L190 M191 K192 P214 R216	D170-L190 HydrophobicContact CB-CD1 3.82Å; D170-M191 CarbonylContact C-O 3.53Å; D170-M191 VanDerWaalsContact CA-O 3.3Å; D170-M191 WeakPolarHBondContact CA-O 3.44Å; D170-K192 IonicContact OD1-NZ 3.18Å; D170-K192 PolarHBondContact OD1-NZ 2.83Å; D170-P214 HydrophobicContact CB-CG 4.28Å; D170-P214 WeakPolarHBondContact O-CD 3.37Å; D170-R216 IonicContact OD2-CZ 2.78Å; D170-R216 VanDerWaalsContact OD2-CZ 3.31Å; D170-R216 IonicContact OD2-NE 3.89Å; D170-R216 PolarHBondContact OD2-NE 3.48Å; D170-R216 IonicContact OD2-NH2 3.8Å; D170-R216 PolarHBondContact OD2-NH2 2.87Å
171	F	98.2	Very high	96.5	Very high	13 Å²	13	43.3 Å²	43.3	6%	0.057	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.8	172.4	-165.8	-109.1	0	0	0	108.4	F173 M191 L193 L199 M201 H211 S212 L213	F171-F173 HydrophobicContact CD1-CD2 4.26Å; F171-F173 AromaticContact CD1-CE2 3.58Å; F171-F173 HydrophobicContact CD1-CE2 3.58Å; F171-F173 AromaticContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CE1-CE1 4Å; F171-F173 AromaticContact CE1-CE2 3.82Å; F171-F173 HydrophobicContact CE1-CE2 3.82Å; F171-F173 AromaticContact CE1-CZ 3.49Å; F171-F173 HydrophobicContact CE1-CZ 3.49Å; F171-F173 VanDerWaalsContact CE1-CZ 3.49Å; F171-M191 PolarHBondContact N-O 3.36Å; F171-M191 PolarHBondContact O-N 2.68Å; F171-L193 HydrophobicContact CB-CD1 3.62Å; F171-L193 HydrophobicContact CB-CD2 4.24Å; F171-L193 HydrophobicContact CB-CG 3.71Å; F171-L193 HydrophobicContact CD1-CD1 4.41Å; F171-L193 HydrophobicContact CD2-CD1 3.81Å; F171-L193 HydrophobicContact CG-CD1 3.72Å; F171-L193 HydrophobicContact CG-CG 4.29Å; F171-L199 HydrophobicContact CD1-CD2 3.89Å; F171-L199 HydrophobicContact CE1-CD2 3.73Å; F171-M201 HydrophobicContact CE1-SD 4.12Å; F171-M201 HydrophobicContact CZ-SD 4.38Å; F171-H211 HydrophobicContact CE1-CB 3.73Å; F171-H211 HydrophobicContact CE2-CB 4.49Å; F171-H211 HydrophobicContact CZ-CB 3.67Å; F171-H211 AromaticContact CZ-CD2 3.47Å; F171-H211 VanDerWaalsContact CZ-CD2 3.47Å; F171-H211 WeakPolarHBondContact CZ-CD2 3.42Å; F171-H211 AromaticContact CZ-CG 3.77Å; F171-S212 WeakPolarHBondContact CA-O 3.31Å; F171-S212 WeakPolarHBondContact CD2-O 3.09Å; F171-L213 HydrophobicContact CD2-CB 4.49Å; F171-L213 HydrophobicContact CD2-CD1 4.05Å
172	L	98	Very high	96.2	Very high	32 Å²	32	45.4 Å²	45.4	17%	0.168	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.2	-168.8	176.4	72.1	0	0	0	109.7	N188 L190 H211 S212	L172-N188 HydrophobicContact CD1-CB 3.87Å; L172-L190 HydrophobicContact CB-CD1 4.29Å; L172-L190 HydrophobicContact CD1-CD1 4.22Å; L172-H211 CarbonylContact O-C 3.54Å; L172-H211 WeakPolarHBondContact O-CA 3.41Å; L172-S212 PolarHBondContact N-O 2.94Å; L172-S212 PolarHBondContact O-N 2.95Å
173	F	97.7	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.7	166.6	-65.7	-89.1	0	0	0	110.4	L40 I42 F171 N188 V189 M191 L199 M201 T205 W209 Y210 H211	L40-F173 HydrophobicContact CD1-CB 4.45Å; L40-F173 HydrophobicContact CD1-CD1 3.83Å; L40-F173 HydrophobicContact CD1-CE1 4.15Å; L40-F173 HydrophobicContact CD1-CG 4.07Å; I42-F173 HydrophobicContact CD1-CE2 4.16Å; I42-F173 HydrophobicContact CD1-CZ 4.46Å; I42-F173 HydrophobicContact CG2-CE1 4.33Å; I42-F173 HydrophobicContact CG2-CZ 4.04Å; F171-F173 HydrophobicContact CD1-CD2 4.26Å; F171-F173 AromaticContact CD1-CE2 3.58Å; F171-F173 HydrophobicContact CD1-CE2 3.58Å; F171-F173 AromaticContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CD1-CZ 3.78Å; F171-F173 HydrophobicContact CE1-CE1 4Å; F171-F173 AromaticContact CE1-CE2 3.82Å; F171-F173 HydrophobicContact CE1-CE2 3.82Å; F171-F173 AromaticContact CE1-CZ 3.49Å; F171-F173 HydrophobicContact CE1-CZ 3.49Å; F171-F173 VanDerWaalsContact CE1-CZ 3.49Å; F173-N188 WeakPolarHBondContact O-CA 3.33Å; F173-V189 HydrophobicContact CB-CB 4.18Å; F173-V189 PolarHBondContact N-O 3.27Å; F173-V189 PolarHBondContact O-N 3.4Å; F173-M191 HydrophobicContact CD2-SD 4.4Å; F173-M191 HydrophobicContact CE2-CG 4.4Å; F173-M191 HydrophobicContact CE2-SD 3.68Å; F173-L199 HydrophobicContact CZ-CD2 4.23Å; F173-M201 HydrophobicContact CE1-CG 4.48Å; F173-M201 HydrophobicContact CE1-SD 3.84Å; F173-M201 HydrophobicContact CZ-CG 4.33Å; F173-M201 HydrophobicContact CZ-SD 3.95Å; F173-T205 HydrophobicContact CE1-CG2 4.14Å; F173-W209 HydrophobicContact CB-CE3 3.72Å; F173-W209 HydrophobicContact CB-CZ3 4.21Å; F173-W209 HydrophobicContact CD1-CB 4.29Å; F173-Y210 CarbonylContact C-O 3.53Å; F173-Y210 VanDerWaalsContact CA-O 3.28Å; F173-Y210 WeakPolarHBondContact CA-O 3.28Å; F173-H211 HydrophobicContact CD1-CB 3.85Å; F173-H211 HydrophobicContact CE1-CB 3.92Å
174	R	96.8	Very high	95.6	Very high	82 Å²	82	57 Å²	57	31%	0.309	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.3	175.4	175.4	171.3	-65.6	178.1	-5.3	109.9	E146 C178 N188 W209 Y210	E146-R174 VanDerWaalsContact OE1-CD 3.32Å; E146-R174 WeakPolarHBondContact OE1-CD 3.5Å; E146-R174 IonicContact OE1-CZ 3.89Å; E146-R174 IonicContact OE1-NE 3.99Å; E146-R174 PolarHBondContact OE1-NE 3.19Å; E146-R174 IonicContact OE1-NH1 2.83Å; E146-R174 PolarHBondContact OE1-NH1 3.35Å; R174-C178 HydrophobicContact CG-CB 3.91Å; R174-N188 WeakPolarHBondContact CB-OD1 3.26Å; R174-N188 VanDerWaalsContact CG-OD1 3.28Å; R174-N188 WeakPolarHBondContact CG-OD1 3.38Å; R174-N188 PolarHBondContact NE-OD1 3.17Å; R174-W209 VanDerWaalsContact C-CE3 3.42Å; R174-Y210 PolarHBondContact N-O 3.5Å; R174-Y210 WeakPolarHBondContact O-CB 3.43Å; R174-Y210 PolarHBondContact O-N 3.04Å
175	H	96.8	Very high	95.3	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	146.8	-179.5	-168.1	-113.8	0	0	0	111.4	D39 K177 C178 P186 H208 W209	D39-H175 IonicContact OD1-CD2 3.24Å; D39-H175 IonicContact OD1-NE2 3.23Å; D39-H175 IonicContact OD2-CD2 3.66Å; D39-H175 IonicContact OD2-NE2 3.96Å; D39-H175 PolarHBondContact OD2-NE2 2.98Å; H175-K177 WeakPolarHBondContact CE1-CG 3.11Å; H175-K177 VanDerWaalsContact ND1-CB 3.25Å; H175-K177 WeakPolarHBondContact ND1-CB 3.31Å; H175-K177 WeakPolarHBondContact ND1-CG 3.11Å; H175-K177 PolarHBondContact ND1-N 2.99Å; H175-K177 PolarHBondContact O-N 2.93Å; H175-C178 VanDerWaalsContact O-CB 3.31Å; H175-C178 WeakPolarHBondContact O-CB 3.45Å; H175-C178 PolarHBondContact O-N 3Å; H175-C178 VanDerWaalsContact O-N 3.07Å; H175-C178 PolarHBondContact O-SG 3.02Å; H175-P186 HydrophobicContact CB-CG 3.51Å; H175-H208 PolarHBondContact CD2-O 2.87Å; H175-H208 VanDerWaalsContact CD2-O 3.31Å; H175-H208 AromaticContact NE2-ND1 3.82Å; H175-W209 HydrophobicContact CB-CD2 4.07Å; H175-W209 HydrophobicContact CB-CE3 3.89Å; H175-W209 HydrophobicContact CB-CH2 3.78Å; H175-W209 HydrophobicContact CB-CZ2 3.91Å; H175-W209 HydrophobicContact CB-CZ3 3.78Å; H175-W209 AromaticContact CD2-CD1 3.99Å; H175-W209 AromaticContact CD2-CD2 3.95Å; H175-W209 AromaticContact CD2-CE2 3.55Å; H175-W209 AromaticContact CD2-CZ2 3.93Å; H175-W209 AromaticContact CD2-NE1 3.55Å
176	R	95.9	Very high	95	Very high	83 Å²	83	59.2 Å²	59.2	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-29.1	-179.1	69.2	-177.3	-171.5	-179	8.2	113.5	C178 R179 Q180 H208 Y210	R176-C178 PolarHBondContact O-N 2.83Å; R176-R179 WeakPolarHBondContact O-CB 3.48Å; R176-R179 PolarHBondContact O-N 2.89Å; R176-Q180 PolarHBondContact O-N 2.78Å; R176-H208 WeakPolarHBondContact CB-O 3.5Å; R176-H208 WeakPolarHBondContact CG-O 3.08Å; R176-H208 PolarHBondContact N-O 3.11Å; R176-Y210 HydrophobicContact CB-CD2 4.33Å; R176-Y210 HydrophobicContact CB-CE2 3.77Å
177	K	95.2	Very high	94.8	Very high	66 Å²	66	64.7 Å²	64.7	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-32.9	175.2	-77.6	-179	166	-153.4	0	112.4	H175 R179 Q180 H181 D182 A185	H175-K177 WeakPolarHBondContact CE1-CG 3.11Å; H175-K177 VanDerWaalsContact ND1-CB 3.25Å; H175-K177 WeakPolarHBondContact ND1-CB 3.31Å; H175-K177 WeakPolarHBondContact ND1-CG 3.11Å; H175-K177 PolarHBondContact ND1-N 2.99Å; H175-K177 PolarHBondContact O-N 2.93Å; K177-R179 PolarHBondContact O-N 3.24Å; K177-Q180 CarbonylContact O-C 3.54Å; K177-Q180 WeakPolarHBondContact O-CA 3.48Å; K177-Q180 WeakPolarHBondContact O-CB 3.5Å; K177-Q180 PolarHBondContact O-N 2.83Å; K177-H181 PolarHBondContact O-N 2.84Å; K177-D182 HydrophobicContact CB-CB 3.89Å; K177-D182 WeakPolarHBondContact CD-OD2 3.47Å; K177-D182 WeakPolarHBondContact CE-OD2 3.5Å; K177-D182 HydrophobicContact CG-CB 4.23Å; K177-D182 WeakPolarHBondContact CG-OD2 3.47Å; K177-D182 IonicContact NZ-OD2 3.31Å; K177-D182 PolarHBondContact NZ-OD2 3.11Å; K177-D182 PolarHBondContact O-N 2.76Å; K177-A185 HydrophobicContact CB-CB 3.7Å
178	C	93.3	Very high	94.7	Very high	40 Å²	40	66.3 Å²	66.3	27%	0.27	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-33.2	175.7	-54.1	0	0	0	0	112.3	R174 H175 R176 Q180 H181 A185	R174-C178 HydrophobicContact CG-CB 3.91Å; H175-C178 VanDerWaalsContact O-CB 3.31Å; H175-C178 WeakPolarHBondContact O-CB 3.45Å; H175-C178 PolarHBondContact O-N 3Å; H175-C178 VanDerWaalsContact O-N 3.07Å; H175-C178 PolarHBondContact O-SG 3.02Å; R176-C178 PolarHBondContact O-N 2.83Å; C178-Q180 VanDerWaalsContact C-N 3.29Å; C178-H181 PolarHBondContact O-N 2.88Å; C178-A185 HydrophobicContact CB-CB 4.44Å
179	R	89.7	Confident	94.6	Very high	115 Å²	115	62.7 Å²	62.7	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-78	-15.2	175.4	-69.6	-169.5	173.4	-164.6	-0.7	113.4	E146 R176 K177 Y210	E146-R179 VanDerWaalsContact CB-NH2 3.28Å; E146-R179 IonicContact OE2-CZ 3.96Å; E146-R179 IonicContact OE2-NE 2.86Å; E146-R179 PolarHBondContact OE2-NE 2.88Å; E146-R179 IonicContact OE2-NH2 2.93Å; E146-R179 PolarHBondContact OE2-NH2 2.85Å; R176-R179 WeakPolarHBondContact O-CB 3.48Å; R176-R179 PolarHBondContact O-N 2.89Å; K177-R179 PolarHBondContact O-N 3.24Å; R179-Y210 HydrophobicContact CG-CE2 4.41Å
180	Q	91.8	Very high	94.5	Very high	124 Å²	124	66.9 Å²	66.9	58%	0.579	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	1.4	177	-62.9	170.2	-13.1	0	0	111.7	R176 K177 C178 D182	R176-Q180 PolarHBondContact O-N 2.78Å; K177-Q180 CarbonylContact O-C 3.54Å; K177-Q180 WeakPolarHBondContact O-CA 3.48Å; K177-Q180 WeakPolarHBondContact O-CB 3.5Å; K177-Q180 PolarHBondContact O-N 2.83Å; C178-Q180 VanDerWaalsContact C-N 3.29Å; Q180-D182 PolarHBondContact O-N 2.84Å
181	H	89.5	Confident	94.4	Very high	171 Å²	171	66.9 Å²	66.9	79%	0.792	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	29.2	-173.7	-56.5	-78.5	0	0	0	113.3	K177 C178	K177-H181 PolarHBondContact O-N 2.84Å; C178-H181 PolarHBondContact O-N 2.88Å
182	D	91.9	Very high	94.3	Very high	44 Å²	44	71.5 Å²	71.5	24%	0.235	36%	0.357	C	S	.	.			trans	-68.6	124.1	176.3	179.9	-15.9	0	0	0	108.9	K177 Q180 D184 A185	K177-D182 HydrophobicContact CB-CB 3.89Å; K177-D182 WeakPolarHBondContact CD-OD2 3.47Å; K177-D182 WeakPolarHBondContact CE-OD2 3.5Å; K177-D182 HydrophobicContact CG-CB 4.23Å; K177-D182 WeakPolarHBondContact CG-OD2 3.47Å; K177-D182 IonicContact NZ-OD2 3.31Å; K177-D182 PolarHBondContact NZ-OD2 3.11Å; K177-D182 PolarHBondContact O-N 2.76Å; Q180-D182 PolarHBondContact O-N 2.84Å; D182-D184 PolarHBondContact O-N 3.12Å; D182-D184 WeakPolarHBondContact OD1-CB 3.41Å; D182-D184 PolarHBondContact OD1-N 3.41Å; D182-A185 WeakPolarHBondContact O-CB 3.44Å; D182-A185 PolarHBondContact O-N 3.3Å; D182-A185 VanDerWaalsContact O-N 3.11Å
183	P	91.8	Very high	94.3	Very high	123 Å²	123	70 Å²	70	80%	0.799	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.9	-180	27.4	-35.4	0	0	0	113.1	A185	P183-A185 VanDerWaalsContact C-N 3.26Å; P183-A185 PolarHBondContact O-N 3.48Å
184	D	91.7	Very high	94.4	Very high	126 Å²	126	70.9 Å²	70.9	67%	0.674	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	18.8	177.1	-56.9	-38.4	0	0	0	111.9	D182	D182-D184 PolarHBondContact O-N 3.12Å; D182-D184 WeakPolarHBondContact OD1-CB 3.41Å; D182-D184 PolarHBondContact OD1-N 3.41Å
185	A	92.8	Very high	94.4	Very high	27 Å²	27	69 Å²	69	22%	0.223	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.8	129.2	176.5	0	0	0	0	0	110.6	K177 C178 D182 P183	K177-A185 HydrophobicContact CB-CB 3.7Å; C178-A185 HydrophobicContact CB-CB 4.44Å; D182-A185 WeakPolarHBondContact O-CB 3.44Å; D182-A185 PolarHBondContact O-N 3.3Å; D182-A185 VanDerWaalsContact O-N 3.11Å; P183-A185 VanDerWaalsContact C-N 3.26Å; P183-A185 PolarHBondContact O-N 3.48Å
186	P	93.9	Very high	94.5	Very high	21 Å²	21	68.8 Å²	68.8	14%	0.136	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67.6	156.8	177.8	30.1	-36.2	0	0	0	111.2	V36 H175 W209	V36-P186 HydrophobicContact CG1-CB 3.69Å; V36-P186 WeakPolarHBondContact O-CB 3.41Å; H175-P186 HydrophobicContact CB-CG 3.51Å; P186-W209 HydrophobicContact CB-CH2 4.15Å; P186-W209 HydrophobicContact CB-CZ2 4.39Å; P186-W209 HydrophobicContact CG-CH2 3.75Å; P186-W209 HydrophobicContact CG-CZ2 3.79Å
187	N	94.1	Very high	94.6	Very high	133 Å²	133	64.9 Å²	64.9	71%	0.711	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-60.8	152.7	178.5	-75.2	-41.9	0	0	0	112.3	V36	V36-N187 VanDerWaalsContact CG1-O 3.28Å; V36-N187 WeakPolarHBondContact CG1-O 3.34Å
188	N	95.1	Very high	94.8	Very high	72 Å²	72	61.8 Å²	61.8	39%	0.385	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.7	143.5	171.6	-62.9	-46.4	0	0	0	110.3	L172 F173 R174	L172-N188 HydrophobicContact CD1-CB 3.87Å; F173-N188 WeakPolarHBondContact O-CA 3.33Å; R174-N188 WeakPolarHBondContact CB-OD1 3.26Å; R174-N188 VanDerWaalsContact CG-OD1 3.28Å; R174-N188 WeakPolarHBondContact CG-OD1 3.38Å; R174-N188 PolarHBondContact NE-OD1 3.17Å
189	V	96	Very high	95	Very high	20 Å²	20	59.9 Å²	59.9	12%	0.121	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.9	174.5	-179.8	0	0	0	0	109.6	T34 V36 L40 F173 M191	T34-V189 HydrophobicContact CG2-CG1 4.39Å; V36-V189 HydrophobicContact CB-CG2 4.1Å; V36-V189 HydrophobicContact CG1-CG2 3.91Å; V36-V189 HydrophobicContact CG2-CG2 3.86Å; L40-V189 HydrophobicContact CD2-CB 3.93Å; L40-V189 HydrophobicContact CD2-CG1 4.25Å; L40-V189 HydrophobicContact CD2-CG2 3.53Å; F173-V189 HydrophobicContact CB-CB 4.18Å; F173-V189 PolarHBondContact N-O 3.27Å; F173-V189 PolarHBondContact O-N 3.4Å; V189-M191 HydrophobicContact CG1-CG 4.4Å
190	L	96.2	Very high	95.4	Very high	90 Å²	90	54.5 Å²	54.5	47%	0.471	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116	178.7	-175	70	0	0	0	110	D170 L172	D170-L190 HydrophobicContact CB-CD1 3.82Å; L172-L190 HydrophobicContact CB-CD1 4.29Å; L172-L190 HydrophobicContact CD1-CD1 4.22Å
191	M	95.6	Very high	95.6	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	161	174.2	-66.7	-176.1	64.2	0	0	111.5	I32 I42 Y44 D170 F171 F173 V189 L199	I32-M191 HydrophobicContact CD1-CE 3.25Å; I32-M191 HydrophobicContact CD1-SD 3.97Å; I42-M191 HydrophobicContact CD1-SD 3.51Å; I42-M191 VanDerWaalsContact CD1-SD 3.51Å; Y44-M191 HydrophobicContact CD1-CE 4.38Å; Y44-M191 HydrophobicContact CD2-CE 3.94Å; Y44-M191 HydrophobicContact CG-CE 3.87Å; D170-M191 CarbonylContact C-O 3.53Å; D170-M191 VanDerWaalsContact CA-O 3.3Å; D170-M191 WeakPolarHBondContact CA-O 3.44Å; F171-M191 PolarHBondContact N-O 3.36Å; F171-M191 PolarHBondContact O-N 2.68Å; F173-M191 HydrophobicContact CD2-SD 4.4Å; F173-M191 HydrophobicContact CE2-CG 4.4Å; F173-M191 HydrophobicContact CE2-SD 3.68Å; V189-M191 HydrophobicContact CG1-CG 4.4Å; M191-L199 HydrophobicContact CE-CD1 3.95Å; M191-L199 HydrophobicContact SD-CD1 4.17Å
192	K	97.1	Very high	96	Very high	109 Å²	109	43.7 Å²	43.7	47%	0.474	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.1	167.9	-57.9	-163.3	-176.5	-40	0	108.5	Y44 K168 D170	Y44-K192 PolarHBondContact OH-O 2.8Å; K168-K192 HydrophobicContact CD-CB 4.05Å; K168-K192 HydrophobicContact CD-CD 4.31Å; K168-K192 HydrophobicContact CG-CB 4.27Å; D170-K192 IonicContact OD1-NZ 3.18Å; D170-K192 PolarHBondContact OD1-NZ 2.83Å
193	L	98.2	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.5	177.3	-56.2	-178	0	0	0	108.5	Y44 K168 R169 F171 L199	Y44-L193 HydrophobicContact CE2-CD2 4.02Å; K168-L193 VanDerWaalsContact CA-O 3.28Å; K168-L193 WeakPolarHBondContact CA-O 3.27Å; K168-L193 WeakPolarHBondContact CG-O 3.45Å; R169-L193 PolarHBondContact N-O 3.06Å; R169-L193 PolarHBondContact O-N 2.94Å; F171-L193 HydrophobicContact CB-CD1 3.62Å; F171-L193 HydrophobicContact CB-CD2 4.24Å; F171-L193 HydrophobicContact CB-CG 3.71Å; F171-L193 HydrophobicContact CD1-CD1 4.41Å; F171-L193 HydrophobicContact CD2-CD1 3.81Å; F171-L193 HydrophobicContact CG-CD1 3.72Å; F171-L193 HydrophobicContact CG-CG 4.29Å; L193-L199 HydrophobicContact CD2-CB 4.19Å; L193-L199 HydrophobicContact CD2-CD2 4.03Å
194	D	98.2	Very high	96.3	Very high	20 Å²	20	40.4 Å²	40.4	11%	0.107	22%	0.217	C	C	.	.			trans	-77.3	161.6	-177.9	-71.8	-83	0	0	0	112.7	Y44 Q46 S164 K168 G196 S197	Y44-D194 WeakPolarHBondContact OH-CB 3.17Å; Y44-D194 PolarHBondContact OH-N 3.49Å; Y44-D194 PolarHBondContact OH-OD2 3.41Å; Q46-D194 HydrophobicContact CG-CB 3.92Å; Q46-D194 WeakPolarHBondContact CG-OD2 3.44Å; Q46-D194 VanDerWaalsContact NE2-CG 3.29Å; Q46-D194 PolarHBondContact NE2-OD1 2.82Å; Q46-D194 PolarHBondContact NE2-OD2 2.71Å; S164-D194 WeakPolarHBondContact CB-O 3.34Å; K168-D194 WeakPolarHBondContact CD-OD1 3.17Å; K168-D194 WeakPolarHBondContact CE-OD1 3.43Å; K168-D194 IonicContact NZ-OD1 3.36Å; K168-D194 PolarHBondContact NZ-OD1 2.81Å; D194-G196 PolarHBondContact O-N 2.76Å; D194-S197 PolarHBondContact N-OG 2.86Å; D194-S197 VanDerWaalsContact N-OG 3.09Å; D194-S197 WeakPolarHBondContact O-CB 3.38Å; D194-S197 PolarHBondContact O-N 3.27Å; D194-S197 PolarHBondContact O-OG 2.89Å
195	H	98.6	Very high	96.6	Very high	43 Å²	43	34.4 Å²	34.4	20%	0.199	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	129	167.7	-177.3	38.6	0	0	0	110.4	A54 D55 L165 G166 S197	A54-H195 VanDerWaalsContact C-NE2 3.3Å; A54-H195 WeakPolarHBondContact CB-CE1 3.2Å; A54-H195 VanDerWaalsContact CB-NE2 3.29Å; A54-H195 WeakPolarHBondContact CB-NE2 3.36Å; A54-H195 PolarHBondContact O-CE1 3.25Å; A54-H195 VanDerWaalsContact O-CE1 3.25Å; D55-H195 PolarHBondContact N-NE2 2.93Å; D55-H195 IonicContact OD1-CD2 3.21Å; D55-H195 IonicContact OD1-NE2 3.66Å; D55-H195 PolarHBondContact OD1-NE2 3.01Å; D55-H195 VanDerWaalsContact OD1-NE2 3.08Å; L165-H195 WeakPolarHBondContact CA-ND1 3.43Å; G166-H195 PolarHBondContact N-CE1 3.32Å; G166-H195 PolarHBondContact N-ND1 3.18Å; G166-H195 WeakPolarHBondContact O-CB 3.35Å; H195-S197 VanDerWaalsContact C-N 3.28Å
196	G	98.3	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	13	-177.6	0	0	0	0	0	113.7	Y48 L49 S164 D194	Y48-G196 WeakPolarHBondContact CA-O 3.47Å; Y48-G196 VanDerWaalsContact CB-O 3.29Å; Y48-G196 WeakPolarHBondContact CB-O 3.35Å; Y48-G196 PolarHBondContact N-O 3.43Å; L49-G196 PolarHBondContact N-O 3.45Å; S164-G196 WeakPolarHBondContact O-CA 3.46Å; S164-G196 PolarHBondContact O-N 3.49Å; D194-G196 PolarHBondContact O-N 2.76Å
197	S	98	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	149.4	-178.9	65.7	0	0	0	0	113.3	Y44 V45 Q46 L163 S164 D194 H195	Y44-S197 WeakPolarHBondContact OH-CB 3.34Å; Y44-S197 PolarHBondContact OH-OG 3.04Å; V45-S197 CarbonylContact O-C 3.49Å; V45-S197 VanDerWaalsContact O-CA 3.26Å; V45-S197 WeakPolarHBondContact O-CA 3.49Å; V45-S197 WeakPolarHBondContact O-CB 3.27Å; Q46-S197 VanDerWaalsContact O-CA 3.31Å; Q46-S197 WeakPolarHBondContact O-CA 3.42Å; Q46-S197 VanDerWaalsContact O-CB 3.27Å; Q46-S197 WeakPolarHBondContact O-CB 3.26Å; L163-S197 WeakPolarHBondContact CA-O 3.19Å; S164-S197 PolarHBondContact N-O 2.8Å; D194-S197 PolarHBondContact N-OG 2.86Å; D194-S197 VanDerWaalsContact N-OG 3.09Å; D194-S197 WeakPolarHBondContact O-CB 3.38Å; D194-S197 PolarHBondContact O-N 3.27Å; D194-S197 PolarHBondContact O-OG 2.89Å; H195-S197 VanDerWaalsContact C-N 3.28Å
198	L	98.1	Very high	96.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.9	173.5	-174.7	72.6	0	0	0	109.9	Y44 V45 Y48 I121 C161 L163 V200	Y44-L198 WeakPolarHBondContact CA-O 3.36Å; Y44-L198 WeakPolarHBondContact CD2-O 3.49Å; V45-L198 PolarHBondContact N-O 2.87Å; V45-L198 PolarHBondContact O-N 3.03Å; Y48-L198 HydrophobicContact CD1-CB 3.91Å; Y48-L198 HydrophobicContact CD1-CD2 4.35Å; Y48-L198 HydrophobicContact CD2-CB 3.96Å; Y48-L198 HydrophobicContact CD2-CD2 3.82Å; Y48-L198 HydrophobicContact CE1-CD2 4.17Å; Y48-L198 HydrophobicContact CE2-CD2 3.64Å; Y48-L198 HydrophobicContact CG-CB 3.58Å; Y48-L198 HydrophobicContact CG-CD2 4.17Å; Y48-L198 HydrophobicContact CG-CG 4.44Å; I121-L198 HydrophobicContact CD1-CD1 3.99Å; I121-L198 HydrophobicContact CG1-CD1 4.25Å; C161-L198 HydrophobicContact CB-CD1 4.28Å; L163-L198 HydrophobicContact CB-CD1 4.14Å; L163-L198 HydrophobicContact CD1-CD1 4.49Å; L198-V200 HydrophobicContact CD2-CG2 4.14Å; L198-V200 HydrophobicContact CG-CG2 4.23Å
199	L	98	Very high	97	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.7	167.9	168.5	68.2	0	0	0	109.1	I42 Y44 C161 S162 F171 F173 M191 L193 M201	I42-L199 HydrophobicContact CB-CD1 4.26Å; Y44-L199 HydrophobicContact CD2-CB 4.1Å; C161-L199 CarbonylContact C-O 3.57Å; S162-L199 PolarHBondContact N-O 3.19Å; S162-L199 PolarHBondContact O-N 3.45Å; F171-L199 HydrophobicContact CD1-CD2 3.89Å; F171-L199 HydrophobicContact CE1-CD2 3.73Å; F173-L199 HydrophobicContact CZ-CD2 4.23Å; M191-L199 HydrophobicContact CE-CD1 3.95Å; M191-L199 HydrophobicContact SD-CD1 4.17Å; L193-L199 HydrophobicContact CD2-CB 4.19Å; L193-L199 HydrophobicContact CD2-CD2 4.03Å; L199-M201 HydrophobicContact CD1-CG 4.48Å; L199-M201 HydrophobicContact CD2-CG 4.13Å; L199-M201 HydrophobicContact CD2-SD 4.28Å; L199-M201 HydrophobicContact CG-CG 4.08Å
200	V	97.8	Very high	97	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.3	175.2	-173.5	0	0	0	0	108.6	A29 I42 A43 T125 P159 L198 K202	A29-V200 HydrophobicContact CB-CG2 3.76Å; I42-V200 CarbonylContact C-O 3.59Å; I42-V200 VanDerWaalsContact CA-O 3.3Å; I42-V200 WeakPolarHBondContact CA-O 3.22Å; A43-V200 HydrophobicContact CB-CB 4.26Å; A43-V200 PolarHBondContact N-O 3.15Å; A43-V200 PolarHBondContact O-N 3.04Å; T125-V200 HydrophobicContact CG2-CG2 4.24Å; P159-V200 HydrophobicContact CB-CG1 3.75Å; L198-V200 HydrophobicContact CD2-CG2 4.14Å; L198-V200 HydrophobicContact CG-CG2 4.23Å; V200-K202 HydrophobicContact CG1-CG 4.02Å
201	M	97.5	Very high	97.1	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.03	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104.6	176.6	-59.2	-176.3	-60.8	0	0	108.9	I42 P159 I160 F171 F173 L199	I42-M201 HydrophobicContact CG2-CG 4.24Å; P159-M201 CarbonylContact C-O 3.51Å; P159-M201 VanDerWaalsContact CA-O 3.28Å; P159-M201 WeakPolarHBondContact CA-O 3.47Å; I160-M201 HydrophobicContact CB-CE 4.02Å; I160-M201 HydrophobicContact CG2-CE 3.76Å; I160-M201 PolarHBondContact N-O 2.84Å; I160-M201 PolarHBondContact O-N 2.8Å; F171-M201 HydrophobicContact CE1-SD 4.12Å; F171-M201 HydrophobicContact CZ-SD 4.38Å; F173-M201 HydrophobicContact CE1-CG 4.48Å; F173-M201 HydrophobicContact CE1-SD 3.84Å; F173-M201 HydrophobicContact CZ-CG 4.33Å; F173-M201 HydrophobicContact CZ-SD 3.95Å; L199-M201 HydrophobicContact CD1-CG 4.48Å; L199-M201 HydrophobicContact CD2-CG 4.13Å; L199-M201 HydrophobicContact CD2-SD 4.28Å; L199-M201 HydrophobicContact CG-CG 4.08Å
202	K	96.3	Very high	97.2	Very high	61 Å²	61	29.6 Å²	29.6	27%	0.265	14%	0.137	S	C	.	.			trans	-91.7	156.2	-176.8	-61.9	172.8	-176.7	171.3	0	110.6	N41 P159 V200 T205	N41-K202 HydrophobicContact CB-CB 4.22Å; N41-K202 WeakPolarHBondContact ND2-CB 3.47Å; N41-K202 WeakPolarHBondContact O-CB 3.37Å; N41-K202 PolarHBondContact O-N 3.1Å; P159-K202 HydrophobicContact CB-CG 4.01Å; P159-K202 HydrophobicContact CG-CG 4.06Å; V200-K202 HydrophobicContact CG1-CG 4.02Å; K202-T205 WeakPolarHBondContact O-CB 3.11Å; K202-T205 PolarHBondContact O-N 2.83Å; K202-T205 PolarHBondContact O-OG1 2.97Å
203	P	96.1	Very high	97.3	Very high	45 Å²	45	24.4 Å²	24.4	29%	0.292	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	145.8	168	-21.6	32.1	0	0	0	111.4	N41 P156 N157	N41-P203 PolarHBondContact ND2-O 3.49Å; P156-P203 WeakPolarHBondContact O-CG 3.32Å; N157-P203 WeakPolarHBondContact O-CG 3.37Å
204	P	95.6	Very high	97.2	Very high	54 Å²	54	25.5 Å²	25.5	35%	0.351	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.6	17.1	2.5	39.1	-36.5	0	0	0	113.9	D39 N206 R207 H208	D39-P204 HydrophobicContact CB-CG 4.08Å; P204-N206 VanDerWaalsContact C-N 3.35Å; P204-N206 PolarHBondContact O-N 3.15Å; P204-N206 VanDerWaalsContact O-N 3.1Å; P204-R207 VanDerWaalsContact O-CB 3.28Å; P204-R207 WeakPolarHBondContact O-CB 3.42Å; P204-R207 PolarHBondContact O-N 2.81Å; P204-H208 PolarHBondContact O-CD2 2.99Å
205	T	96.5	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-40.4	-57.6	-170.8	-60.5	0	0	0	0	113.6	D39 L40 N41 I42 F173 K202 R207 H208 W209	D39-T205 WeakPolarHBondContact O-CA 3.18Å; L40-T205 HydrophobicContact CD1-CG2 3.75Å; N41-T205 WeakPolarHBondContact CA-OG1 3.46Å; N41-T205 PolarHBondContact N-OG1 3.23Å; N41-T205 PolarHBondContact O-OG1 3.44Å; I42-T205 HydrophobicContact CG2-CG2 4.11Å; F173-T205 HydrophobicContact CE1-CG2 4.14Å; K202-T205 WeakPolarHBondContact O-CB 3.11Å; K202-T205 PolarHBondContact O-N 2.83Å; K202-T205 PolarHBondContact O-OG1 2.97Å; T205-R207 PolarHBondContact O-N 2.81Å; T205-R207 VanDerWaalsContact O-N 3.15Å; T205-H208 PolarHBondContact O-N 2.78Å; T205-W209 HydrophobicContact CG2-CB 4.17Å; T205-W209 WeakPolarHBondContact O-CB 3.36Å; T205-W209 PolarHBondContact O-N 3.45Å
206	N	95.9	Very high	97.2	Very high	22 Å²	22	31 Å²	31	12%	0.118	14%	0.142	C	C	.	.	H	α-helix	trans	-68.6	-15.4	-174.1	-80.2	21.3	0	0	0	114.4	R148 D149 I160 P204	R148-N206 WeakPolarHBondContact CB-O 3.35Å; R148-N206 WeakPolarHBondContact O-CB 3.3Å; R148-N206 PolarHBondContact O-ND2 3.23Å; R148-N206 VanDerWaalsContact O-ND2 3.17Å; D149-N206 WeakPolarHBondContact CB-ND2 3.28Å; I160-N206 WeakPolarHBondContact CD1-ND2 3.49Å; P204-N206 VanDerWaalsContact C-N 3.35Å; P204-N206 PolarHBondContact O-N 3.15Å; P204-N206 VanDerWaalsContact O-N 3.1Å
207	R	95.3	Very high	96.9	Very high	177 Å²	177	39.8 Å²	39.8	67%	0.668	18%	0.175	S	C	*	.	H	α-helix	trans	-75.6	-28.9	170.8	175.6	-177.8	-178.6	151.2	1.2	112	R148 P204 T205	R148-R207 PolarHBondContact NH1-O 3.22Å; R148-R207 VanDerWaalsContact NH1-O 3.09Å; P204-R207 VanDerWaalsContact O-CB 3.28Å; P204-R207 WeakPolarHBondContact O-CB 3.42Å; P204-R207 PolarHBondContact O-N 2.81Å; T205-R207 PolarHBondContact O-N 2.81Å; T205-R207 VanDerWaalsContact O-N 3.15Å
208	H	95.6	Very high	96.7	Very high	33 Å²	33	51.3 Å²	51.3	15%	0.153	22%	0.219	C	C	.	.	H	α-helix	trans	-110.5	-34.6	-169.1	-71.4	-101.6	0	0	0	113.3	D39 H175 R176 P204 T205	D39-H208 HydrophobicContact CB-CB 4.23Å; D39-H208 WeakPolarHBondContact OD2-CB 3.17Å; D39-H208 IonicContact OD2-CE1 3.31Å; D39-H208 IonicContact OD2-CG 3.35Å; D39-H208 VanDerWaalsContact OD2-CG 3.24Å; D39-H208 IonicContact OD2-ND1 3.65Å; D39-H208 PolarHBondContact OD2-ND1 3.07Å; H175-H208 PolarHBondContact CD2-O 2.87Å; H175-H208 VanDerWaalsContact CD2-O 3.31Å; H175-H208 AromaticContact NE2-ND1 3.82Å; R176-H208 WeakPolarHBondContact CB-O 3.5Å; R176-H208 WeakPolarHBondContact CG-O 3.08Å; R176-H208 PolarHBondContact N-O 3.11Å; P204-H208 PolarHBondContact O-CD2 2.99Å; T205-H208 PolarHBondContact O-N 2.78Å
209	W	97.1	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.2	-170.2	-68	85.5	0	0	0	111.7	V36 D39 L40 R148 F173 R174 H175 P186 T205	V36-W209 HydrophobicContact CG1-CH2 3.68Å; V36-W209 HydrophobicContact CG1-CZ2 4.25Å; D39-W209 PolarHBondContact OD1-NE1 3.25Å; L40-W209 HydrophobicContact CB-CD2 4.4Å; L40-W209 HydrophobicContact CB-CZ2 4.04Å; L40-W209 HydrophobicContact CD1-CB 4.5Å; L40-W209 HydrophobicContact CD1-CD2 4.02Å; L40-W209 HydrophobicContact CD1-CG 3.97Å; L40-W209 HydrophobicContact CD2-CH2 4.36Å; L40-W209 HydrophobicContact CD2-CZ2 4.34Å; L40-W209 HydrophobicContact CD2-CZ3 4.48Å; R148-W209 WeakPolarHBondContact CG-O 3.4Å; F173-W209 HydrophobicContact CB-CE3 3.72Å; F173-W209 HydrophobicContact CB-CZ3 4.21Å; F173-W209 HydrophobicContact CD1-CB 4.29Å; R174-W209 VanDerWaalsContact C-CE3 3.42Å; H175-W209 HydrophobicContact CB-CD2 4.07Å; H175-W209 HydrophobicContact CB-CE3 3.89Å; H175-W209 HydrophobicContact CB-CH2 3.78Å; H175-W209 HydrophobicContact CB-CZ2 3.91Å; H175-W209 HydrophobicContact CB-CZ3 3.78Å; H175-W209 AromaticContact CD2-CD1 3.99Å; H175-W209 AromaticContact CD2-CD2 3.95Å; H175-W209 AromaticContact CD2-CE2 3.55Å; H175-W209 AromaticContact CD2-CZ2 3.93Å; H175-W209 AromaticContact CD2-NE1 3.55Å; P186-W209 HydrophobicContact CB-CH2 4.15Å; P186-W209 HydrophobicContact CB-CZ2 4.39Å; P186-W209 HydrophobicContact CG-CH2 3.75Å; P186-W209 HydrophobicContact CG-CZ2 3.79Å; T205-W209 HydrophobicContact CG2-CB 4.17Å; T205-W209 WeakPolarHBondContact O-CB 3.36Å; T205-W209 PolarHBondContact O-N 3.45Å
210	Y	97.8	Very high	96.3	Very high	37 Å²	37	60.5 Å²	60.5	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	146.4	159.5	-65.4	-90.6	0	0	0	109.4	E146 H147 R148 F173 R174 R176 R179	E146-Y210 HydrophobicContact CB-CD1 4.24Å; E146-Y210 HydrophobicContact CB-CG 4.46Å; H147-Y210 CarbonylContact O-C 3.54Å; H147-Y210 VanDerWaalsContact O-CA 3.22Å; H147-Y210 WeakPolarHBondContact O-CA 3.28Å; R148-Y210 HydrophobicContact CG-CD1 3.57Å; R148-Y210 HydrophobicContact CG-CD2 4.43Å; R148-Y210 HydrophobicContact CG-CE1 3.79Å; R148-Y210 HydrophobicContact CG-CG 3.91Å; F173-Y210 CarbonylContact C-O 3.53Å; F173-Y210 VanDerWaalsContact CA-O 3.28Å; F173-Y210 WeakPolarHBondContact CA-O 3.28Å; R174-Y210 PolarHBondContact N-O 3.5Å; R174-Y210 WeakPolarHBondContact O-CB 3.43Å; R174-Y210 PolarHBondContact O-N 3.04Å; R176-Y210 HydrophobicContact CB-CD2 4.33Å; R176-Y210 HydrophobicContact CB-CE2 3.77Å; R179-Y210 HydrophobicContact CG-CE2 4.41Å
211	H	97.9	Very high	96.2	Very high	3 Å²	3	62.1 Å²	62.1	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.2	170.9	56.5	-96.1	0	0	0	111.7	E146 H147 D149 F171 L172 F173	E146-H211 WeakPolarHBondContact CA-O 3.35Å; H147-H211 AromaticContact CD2-NE2 3.55Å; H147-H211 AromaticContact CE1-CD2 3.3Å; H147-H211 PolarHBondContact CE1-CD2 3.14Å; H147-H211 AromaticContact CE1-NE2 3.41Å; H147-H211 PolarHBondContact CE1-NE2 2.89Å; H147-H211 PolarHBondContact N-O 3.45Å; H147-H211 AromaticContact ND1-CD2 3.91Å; H147-H211 PolarHBondContact ND1-O 2.94Å; H147-H211 VanDerWaalsContact ND1-O 3.08Å; H147-H211 AromaticContact NE2-CD2 3.54Å; H147-H211 AromaticContact NE2-NE2 3.12Å; H147-H211 PolarHBondContact NE2-NE2 3.32Å; H147-H211 VanDerWaalsContact NE2-NE2 3.12Å; H147-H211 PolarHBondContact O-N 3.46Å; D149-H211 IonicContact OD2-CE1 3.19Å; D149-H211 IonicContact OD2-NE2 2.89Å; D149-H211 PolarHBondContact OD2-NE2 3Å; F171-H211 HydrophobicContact CE1-CB 3.73Å; F171-H211 HydrophobicContact CE2-CB 4.49Å; F171-H211 HydrophobicContact CZ-CB 3.67Å; F171-H211 AromaticContact CZ-CD2 3.47Å; F171-H211 VanDerWaalsContact CZ-CD2 3.47Å; F171-H211 WeakPolarHBondContact CZ-CD2 3.42Å; F171-H211 AromaticContact CZ-CG 3.77Å; L172-H211 CarbonylContact O-C 3.54Å; L172-H211 WeakPolarHBondContact O-CA 3.41Å; F173-H211 HydrophobicContact CD1-CB 3.85Å; F173-H211 HydrophobicContact CE1-CB 3.92Å
212	S	97.9	Very high	96.2	Very high	7 Å²	7	63.6 Å²	63.6	5%	0.049	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155.5	-177.6	63.6	0	0	0	0	112.6	I144 F171 L172 P214	I144-S212 WeakPolarHBondContact O-CB 3.31Å; F171-S212 WeakPolarHBondContact CA-O 3.31Å; F171-S212 WeakPolarHBondContact CD2-O 3.09Å; L172-S212 PolarHBondContact N-O 2.94Å; L172-S212 PolarHBondContact O-N 2.95Å; S212-P214 WeakPolarHBondContact O-CD 3.41Å
213	L	98	Very high	96.3	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	91	168.6	-163.3	98.3	0	0	0	107.7	Y137 Y143 I144 R169 F171	Y137-L213 HydrophobicContact CD1-CD2 3.71Å; Y137-L213 HydrophobicContact CD2-CD2 4.3Å; Y137-L213 HydrophobicContact CE1-CD2 3.52Å; Y137-L213 HydrophobicContact CE2-CD2 4.15Å; Y137-L213 HydrophobicContact CG-CD2 4.11Å; Y143-L213 WeakPolarHBondContact CA-O 3.33Å; Y143-L213 WeakPolarHBondContact CB-O 3.49Å; I144-L213 HydrophobicContact CG2-CB 3.66Å; I144-L213 PolarHBondContact N-O 3.46Å; I144-L213 PolarHBondContact O-N 2.92Å; I144-L213 VanDerWaalsContact O-N 3.12Å; R169-L213 HydrophobicContact CB-CD1 3.64Å; R169-L213 HydrophobicContact CB-CD2 4.39Å; R169-L213 HydrophobicContact CB-CG 4.17Å; R169-L213 HydrophobicContact CG-CD1 4.4Å; R169-L213 HydrophobicContact CG-CD2 4.31Å; F171-L213 HydrophobicContact CD2-CB 4.49Å; F171-L213 HydrophobicContact CD2-CD1 4.05Å
214	P	97.7	Very high	96.4	Very high	23 Å²	23	58.7 Å²	58.7	15%	0.149	27%	0.266	C	S	.	.			trans	-67.1	158.1	-169.9	27	-36.6	0	0	0	113.2	R169 D170 S212 R216	R169-P214 PolarHBondContact NH2-O 3.28Å; D170-P214 HydrophobicContact CB-CG 4.28Å; D170-P214 WeakPolarHBondContact O-CD 3.37Å; S212-P214 WeakPolarHBondContact O-CD 3.41Å; P214-R216 PolarHBondContact O-N 3.02Å
215	K	97.6	Very high	96.6	Very high	89 Å²	89	56.4 Å²	56.4	39%	0.387	25%	0.25	S	S	.	.			trans	-65.4	130.9	172.8	-166.7	173.8	-174.5	171.2	0	110.1	G140 N141 Y143 R217	G140-K215 WeakPolarHBondContact O-CG 3.23Å; N141-K215 WeakPolarHBondContact OD1-CE 3.49Å; Y143-K215 HydrophobicContact CD1-CB 4.34Å; K215-R217 HydrophobicContact CD-CG 4.46Å; K215-R217 HydrophobicContact CG-CG 4.34Å
216	R	97.2	Very high	96.7	Very high	88 Å²	88	56.4 Å²	56.4	33%	0.332	25%	0.25	S	S	.	.			trans	-137.7	78	-179.9	-66.6	-65.9	-174.3	-105.3	3.2	109.3	G140 D170 P214 R218 Q219	G140-R216 VanDerWaalsContact CA-O 3.3Å; G140-R216 WeakPolarHBondContact CA-O 3.43Å; G140-R216 CarbonylContact O-C 3.52Å; G140-R216 PolarHBondContact O-N 2.82Å; D170-R216 IonicContact OD2-CZ 2.78Å; D170-R216 VanDerWaalsContact OD2-CZ 3.31Å; D170-R216 IonicContact OD2-NE 3.89Å; D170-R216 PolarHBondContact OD2-NE 3.48Å; D170-R216 IonicContact OD2-NH2 3.8Å; D170-R216 PolarHBondContact OD2-NH2 2.87Å; P214-R216 PolarHBondContact O-N 3.02Å; R216-R218 PolarHBondContact O-N 2.69Å; R216-Q219 HydrophobicContact CB-CB 4.31Å; R216-Q219 HydrophobicContact CB-CG 3.91Å; R216-Q219 PolarHBondContact O-N 2.57Å
217	R	92.7	Very high	96.8	Very high	185 Å²	185	55.9 Å²	55.9	70%	0.698	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.8	-167.4	-58.9	-171.5	-176	-164.9	0.9	115.5	K215	K215-R217 HydrophobicContact CD-CG 4.46Å; K215-R217 HydrophobicContact CG-CG 4.34Å
218	R	94.9	Very high	97	Very high	243 Å²	243	47.4 Å²	47.4	92%	0.917	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.9	-179.2	-65.7	-177.1	178.1	164	-1.1	114	R216 L220	R216-R218 PolarHBondContact O-N 2.69Å; R218-L220 PolarHBondContact O-N 3.09Å
219	Q	92.8	Very high	97.1	Very high	54 Å²	54	46.1 Å²	46.1	25%	0.252	21%	0.21	S	C	.	.			trans	-86.7	112.2	177.1	-62.9	-175	-47.1	0	0	109.2	G140 L167 K168 R216	G140-Q219 VanDerWaalsContact CA-O 3.3Å; G140-Q219 WeakPolarHBondContact CA-O 3.46Å; G140-Q219 PolarHBondContact N-O 2.83Å; L167-Q219 HydrophobicContact CD1-CB 4.39Å; L167-Q219 HydrophobicContact CD2-CB 3.9Å; K168-Q219 PolarHBondContact O-NE2 3.1Å; R216-Q219 HydrophobicContact CB-CB 4.31Å; R216-Q219 HydrophobicContact CB-CG 3.91Å; R216-Q219 PolarHBondContact O-N 2.57Å
220	L	93.3	Very high	97	Very high	140 Å²	140	49.7 Å²	49.7	73%	0.733	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.7	179.7	-55.7	179.2	0	0	0	108.9	R218	R218-L220 PolarHBondContact O-N 3.09Å
221	G	96.3	Very high	96.8	Very high	36 Å²	36	48.2 Å²	48.2	37%	0.371	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	127.9	157.8	-179	0	0	0	0	0	113.3	N138 S139 L167	N138-G221 CarbonylContact C-O 3.59Å; N138-G221 CarbonylContact O-C 3.59Å; S139-G221 WeakPolarHBondContact CA-O 3.47Å; L167-G221 VanDerWaalsContact CD2-O 3.26Å; L167-G221 WeakPolarHBondContact CD2-O 3.41Å
222	V	98.1	Very high	96.5	Very high	37 Å²	37	54.3 Å²	54.3	22%	0.224	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141	-179	-179.3	0	0	0	0	110.2	E62 R136 Y137 G166 L167 I224	E62-V222 WeakPolarHBondContact OE1-CG1 3.43Å; R136-V222 HydrophobicContact CG-CG1 4.12Å; Y137-V222 CarbonylContact O-C 3.46Å; Y137-V222 VanDerWaalsContact O-CA 3.3Å; Y137-V222 WeakPolarHBondContact O-CA 3.33Å; G166-V222 CarbonylContact C-O 3.59Å; G166-V222 WeakPolarHBondContact CA-O 3.34Å; L167-V222 WeakPolarHBondContact CB-O 3.28Å; L167-V222 PolarHBondContact N-O 3.36Å; V222-I224 HydrophobicContact CG1-CG1 4.36Å
223	R	98.5	Very high	95.5	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.011	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.9	165	172.7	-179.5	-175.5	-89.5	-4.3	109.3	R136 Y137 S164 L165 L167 R169 N225	R136-R223 WeakPolarHBondContact CA-O 3.29Å; Y137-R223 HydrophobicContact CD2-CB 4.43Å; Y137-R223 HydrophobicContact CD2-CG 4.33Å; Y137-R223 VanDerWaalsContact CE2-NH1 3.33Å; Y137-R223 PolarHBondContact N-O 3.31Å; Y137-R223 PolarHBondContact O-N 2.86Å; S164-R223 PolarHBondContact OG-NH2 3.33Å; L165-R223 CarbonylContact O-C 3.59Å; L165-R223 VanDerWaalsContact O-CA 3.25Å; L165-R223 WeakPolarHBondContact O-CA 3.28Å; L165-R223 WeakPolarHBondContact O-CG 3.46Å; L167-R223 HydrophobicContact CB-CB 4.26Å; R169-R223 VanDerWaalsContact CG-CD 3.44Å; R223-N225 VanDerWaalsContact NH1-CB 3.31Å; R223-N225 PolarHBondContact NH2-OD1 3.2Å
224	I	98.7	Very high	93.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.4	166.6	-59.7	179	0	0	0	108	L58 C61 E62 V134 N135 R136 L165 V222 F226	L58-I224 HydrophobicContact CD1-CB 4.45Å; L58-I224 HydrophobicContact CD1-CD1 3.85Å; L58-I224 HydrophobicContact CD1-CG1 3.98Å; C61-I224 HydrophobicContact CB-CD1 3.49Å; C61-I224 VanDerWaalsContact CB-CD1 3.49Å; E62-I224 WeakPolarHBondContact OE1-CD1 3.25Å; V134-I224 HydrophobicContact CG1-CG2 3.64Å; N135-I224 CarbonylContact O-C 3.59Å; N135-I224 WeakPolarHBondContact O-CA 3.37Å; R136-I224 HydrophobicContact CB-CG1 4.38Å; R136-I224 HydrophobicContact CG-CG1 4.24Å; L165-I224 HydrophobicContact CB-CB 4.43Å; L165-I224 PolarHBondContact N-O 3.36Å; L165-I224 PolarHBondContact O-N 2.94Å; V222-I224 HydrophobicContact CG1-CG1 4.36Å; I224-F226 HydrophobicContact CG2-CD2 4.26Å; I224-F226 HydrophobicContact CG2-CE1 4.43Å; I224-F226 HydrophobicContact CG2-CE2 3.58Å; I224-F226 HydrophobicContact CG2-CZ 3.68Å
225	N	98.8	Very high	93.4	Very high	6 Å²	6	71.6 Å²	71.6	3%	0.032	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.3	177.2	174.9	108.8	0	0	0	110.3	V134 N135 Y137 S162 L163 R223 T227	V134-N225 CarbonylContact C-O 3.5Å; V134-N225 WeakPolarHBondContact CA-O 3.43Å; N135-N225 HydrophobicContact CB-CB 4.47Å; N135-N225 PolarHBondContact N-O 3.3Å; N135-N225 PolarHBondContact O-N 3.47Å; Y137-N225 HydrophobicContact CE2-CB 4.38Å; S162-N225 PolarHBondContact OG-OD1 3.24Å; L163-N225 WeakPolarHBondContact O-CA 3.43Å; R223-N225 VanDerWaalsContact NH1-CB 3.31Å; R223-N225 PolarHBondContact NH2-OD1 3.2Å; N225-T227 PolarHBondContact ND2-OG1 3.25Å
226	F	98.8	Very high	93.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.4	172.5	-57.6	-91.5	0	0	0	108.5	L65 V114 V132 V134 S162 L163 L165 I224 F228	L65-F226 HydrophobicContact CD1-CE1 4.34Å; L65-F226 HydrophobicContact CD1-CZ 4.48Å; V114-F226 HydrophobicContact CG1-CD1 4.01Å; V114-F226 HydrophobicContact CG1-CE1 4.18Å; V114-F226 HydrophobicContact CG2-CD1 4.31Å; V114-F226 HydrophobicContact CG2-CE1 3.65Å; V114-F226 HydrophobicContact CG2-CZ 4.4Å; V132-F226 HydrophobicContact CG2-CB 3.83Å; V132-F226 HydrophobicContact CG2-CD1 4.17Å; V134-F226 HydrophobicContact CB-CD1 4.42Å; V134-F226 HydrophobicContact CB-CE1 4.44Å; V134-F226 HydrophobicContact CG1-CD1 4.15Å; V134-F226 HydrophobicContact CG1-CE1 3.85Å; V134-F226 HydrophobicContact CG1-CZ 4.31Å; V134-F226 HydrophobicContact CG2-CD1 3.65Å; V134-F226 HydrophobicContact CG2-CE1 3.74Å; S162-F226 WeakPolarHBondContact CA-O 3.29Å; L163-F226 HydrophobicContact CB-CB 4.31Å; L163-F226 HydrophobicContact CD2-CD2 4.24Å; L163-F226 PolarHBondContact N-O 3.43Å; L163-F226 PolarHBondContact O-N 3.18Å; L165-F226 HydrophobicContact CD1-CE2 3.7Å; L165-F226 HydrophobicContact CG-CE2 4.26Å; I224-F226 HydrophobicContact CG2-CD2 4.26Å; I224-F226 HydrophobicContact CG2-CE1 4.43Å; I224-F226 HydrophobicContact CG2-CE2 3.58Å; I224-F226 HydrophobicContact CG2-CZ 3.68Å; F226-F228 HydrophobicContact CB-CD2 4.19Å; F226-F228 HydrophobicContact CB-CE2 3.45Å; F226-F228 VanDerWaalsContact CB-CE2 3.45Å; F226-F228 HydrophobicContact CB-CZ 3.78Å; F226-F228 HydrophobicContact CG-CE2 4.44Å; F226-F228 HydrophobicContact CG-CZ 4.42Å
227	T	98.5	Very high	92.9	Very high	11 Å²	11	69.7 Å²	69.7	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	99.2	173.1	-53.4	0	0	0	0	109.7	V132 L133 I160 C161 N225 R229	V132-T227 WeakPolarHBondContact CA-O 3.43Å; L133-T227 PolarHBondContact N-O 3.09Å; L133-T227 PolarHBondContact O-N 3.42Å; I160-T227 HydrophobicContact CG2-CG2 3.27Å; C161-T227 CarbonylContact O-C 3.49Å; C161-T227 VanDerWaalsContact O-CA 3.29Å; C161-T227 WeakPolarHBondContact O-CA 3.39Å; N225-T227 PolarHBondContact ND2-OG1 3.25Å; T227-R229 HydrophobicContact CG2-CG 4.26Å; T227-R229 VanDerWaalsContact CG2-NH1 3.31Å; T227-R229 PolarHBondContact O-NH1 2.8Å
228	F	98.4	Very high	92.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.2	177.1	-60.2	-86.1	0	0	0	110.4	W110 V114 L117 R118 I121 Y129 F131 V132 C161 L163 F226	W110-F228 HydrophobicContact CH2-CD1 4.34Å; W110-F228 HydrophobicContact CH2-CE1 4.45Å; W110-F228 HydrophobicContact CZ3-CD1 4.44Å; W110-F228 HydrophobicContact CZ3-CE1 4.11Å; V114-F228 HydrophobicContact CG1-CE1 4.37Å; L117-F228 HydrophobicContact CB-CZ 4.18Å; R118-F228 HydrophobicContact CB-CD1 4.07Å; R118-F228 HydrophobicContact CB-CE1 3.7Å; R118-F228 HydrophobicContact CG-CD1 4.27Å; R118-F228 HydrophobicContact CG-CE1 4.39Å; I121-F228 HydrophobicContact CD1-CD2 3.57Å; I121-F228 HydrophobicContact CD1-CE2 3.27Å; I121-F228 HydrophobicContact CD1-CG 4.45Å; I121-F228 HydrophobicContact CD1-CZ 3.96Å; Y129-F228 HydrophobicContact CD1-CB 3.76Å; Y129-F228 HydrophobicContact CD2-CB 4.3Å; Y129-F228 HydrophobicContact CE1-CB 4.3Å; Y129-F228 HydrophobicContact CG-CB 3.78Å; F131-F228 WeakPolarHBondContact O-CA 3.19Å; V132-F228 HydrophobicContact CB-CD1 3.77Å; V132-F228 HydrophobicContact CB-CE1 3.9Å; V132-F228 HydrophobicContact CB-CG 4.47Å; V132-F228 HydrophobicContact CG2-CD1 3.79Å; V132-F228 HydrophobicContact CG2-CD2 4.46Å; V132-F228 HydrophobicContact CG2-CE1 3.73Å; V132-F228 HydrophobicContact CG2-CE2 4.42Å; V132-F228 HydrophobicContact CG2-CG 4.17Å; V132-F228 HydrophobicContact CG2-CZ 4.08Å; C161-F228 HydrophobicContact CB-CB 4.21Å; C161-F228 PolarHBondContact N-O 3.02Å; C161-F228 VanDerWaalsContact N-O 3.11Å; C161-F228 PolarHBondContact O-N 3.31Å; L163-F228 HydrophobicContact CB-CE2 4.27Å; F226-F228 HydrophobicContact CB-CD2 4.19Å; F226-F228 HydrophobicContact CB-CE2 3.45Å; F226-F228 VanDerWaalsContact CB-CE2 3.45Å; F226-F228 HydrophobicContact CB-CZ 3.78Å; F226-F228 HydrophobicContact CG-CE2 4.44Å; F226-F228 HydrophobicContact CG-CZ 4.42Å
229	R	97.5	Very high	92.8	Very high	6 Å²	6	51.7 Å²	51.7	2%	0.023	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.6	-177.9	-57.1	-172.1	176.7	79.9	-9.4	110.6	N130 F131 L133 D149 L154 I160 T227 M231	N130-R229 PolarHBondContact N-O 2.83Å; N130-R229 PolarHBondContact OD1-O 2.6Å; F131-R229 HydrophobicContact CD1-CB 4.26Å; F131-R229 PolarHBondContact N-O 2.64Å; F131-R229 PolarHBondContact O-N 3.28Å; L133-R229 VanDerWaalsContact CB-NH1 3.33Å; D149-R229 VanDerWaalsContact CG-NH2 3.3Å; D149-R229 IonicContact OD1-CZ 2.98Å; D149-R229 IonicContact OD1-NE 2.88Å; D149-R229 IonicContact OD1-NH2 3.08Å; D149-R229 PolarHBondContact OD1-NH2 3.37Å; D149-R229 IonicContact OD2-CZ 2.72Å; D149-R229 IonicContact OD2-NE 2.6Å; D149-R229 IonicContact OD2-NH2 3.61Å; D149-R229 PolarHBondContact OD2-NH2 3.23Å; L154-R229 HydrophobicContact CD2-CB 3.91Å; L154-R229 VanDerWaalsContact CD2-CD 3.46Å; L154-R229 HydrophobicContact CD2-CG 4.27Å; I160-R229 HydrophobicContact CD1-CG 4.26Å; I160-R229 HydrophobicContact CG1-CG 4.24Å; I160-R229 HydrophobicContact CG2-CG 4.23Å; T227-R229 HydrophobicContact CG2-CG 4.26Å; T227-R229 VanDerWaalsContact CG2-NH1 3.31Å; T227-R229 PolarHBondContact O-NH1 2.8Å; R229-M231 HydrophobicContact CB-SD 4.22Å
230	K	96.7	Very high	92.8	Very high	75 Å²	75	51.5 Å²	51.5	33%	0.326	29%	0.285	S	S	.	.			trans	-99.7	108.5	167.7	-168.6	-179.7	173.3	-151.6	0	108.1	E128 D155 A158	E128-K230 WeakPolarHBondContact O-CB 3.34Å; E128-K230 WeakPolarHBondContact O-CG 3.45Å; D155-K230 HydrophobicContact CB-CB 4.21Å; D155-K230 HydrophobicContact CB-CD 4.24Å; D155-K230 HydrophobicContact CB-CG 4.19Å; D155-K230 WeakPolarHBondContact CB-O 3.44Å; D155-K230 PolarHBondContact N-O 3.31Å; D155-K230 WeakPolarHBondContact OD2-CD 3.33Å; D155-K230 WeakPolarHBondContact OD2-CE 3.14Å; D155-K230 IonicContact OD2-NZ 3.75Å; D155-K230 PolarHBondContact OD2-NZ 2.87Å; A158-K230 HydrophobicContact CB-CB 3.6Å; A158-K230 HydrophobicContact CB-CD 3.92Å; A158-K230 HydrophobicContact CB-CG 4.37Å
231	M	93.4	Very high	92.7	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.025	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-79.5	146.3	171.4	-47.2	-54.6	-63	0	0	109	I96 Y98 N130 F131 D153 L154 R229 T233	I96-M231 HydrophobicContact CD1-CB 4.02Å; I96-M231 HydrophobicContact CD1-CG 4.37Å; I96-M231 HydrophobicContact CG2-CG 3.82Å; Y98-M231 HydrophobicContact CD2-CE 3.77Å; Y98-M231 HydrophobicContact CD2-SD 4.42Å; N130-M231 PolarHBondContact ND2-O 3.11Å; N130-M231 WeakPolarHBondContact OD1-CB 3.39Å; N130-M231 WeakPolarHBondContact OD1-CG 3.25Å; N130-M231 PolarHBondContact OD1-N 3.49Å; F131-M231 HydrophobicContact CB-CG 3.44Å; F131-M231 VanDerWaalsContact CB-CG 3.44Å; F131-M231 HydrophobicContact CB-SD 3.83Å; F131-M231 HydrophobicContact CD1-SD 3.83Å; F131-M231 HydrophobicContact CG-CG 3.99Å; F131-M231 HydrophobicContact CG-SD 3.9Å; D153-M231 HydrophobicContact CB-CE 3.7Å; D153-M231 CarbonylContact O-C 3.56Å; D153-M231 WeakPolarHBondContact O-CA 3.36Å; D153-M231 VanDerWaalsContact OD2-CE 3.31Å; D153-M231 WeakPolarHBondContact OD2-CE 3.47Å; L154-M231 HydrophobicContact CD2-CE 3.79Å; L154-M231 HydrophobicContact CD2-SD 3.43Å; L154-M231 WeakPolarHBondContact CD2-SD 3.19Å; R229-M231 HydrophobicContact CB-SD 4.22Å; M231-T233 PolarHBondContact O-N 3.11Å
232	R	91.4	Very high	92.5	Very high	132 Å²	132	45.9 Å²	45.9	50%	0.498	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-63.1	117.5	165.8	-68.3	176.8	169.8	143.4	-5.5	108.3	T152 D153 L154	T152-R232 PolarHBondContact O-NH1 3.45Å; D153-R232 PolarHBondContact O-N 3.28Å; L154-R232 PolarHBondContact O-NE 3.46Å
233	T	76.2	Confident	92	Very high	108 Å²	108	46.7 Å²	46.7	66%	0.663	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-77.2	132.3	167	49.7	0	0	0	0	108.1	M231	M231-T233 PolarHBondContact O-N 3.11Å
234	V	57.2	Low	91.4	Very high	214 Å²	214	50.6 Å²	50.6	100%	1.297	27%	0.266	S	S	*	.			trans	-70.4	0	169.3	-171	0	0	0	0	109.1

Retrieved 234 of 234 residues in 93 ms (Link to these results)

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